A0A096NVQ3_PAPAN Loading...

Cilia and flagella associated protein 61

AlphaFold DB , UniProt , Accession A0A096NVQ3, Species PAPAN (Papio anubis, Olive baboon), Gene CFAP61, Length 1,237 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.4Low80.5Confident182 Ų18292.5 Ų92.590%0.89751%0.508SS*.  0144.10-58.5-170.9-141.200108.7V13 V14 H15M1-V13 HydrophobicContact CB-CG1 3.88Å; M1-V13 HydrophobicContact SD-CG1 4.06Å; M1-V14 CarbonylContact C-O 3.5Å; M1-V14 WeakPolarHBondContact CA-O 2.96Å; M1-H15 HydrophobicContact CG-CB 4.31Å
2S79.2Confident81Confident36 Ų3688.3 Ų88.325%0.25248%0.481SS..EExtended strand (participates in β ladder)trans-122.4152.8-176.3-65.80000109.8V13 V14 E121S2-V13 WeakPolarHBondContact O-CA 3.49Å; S2-V14 PolarHBondContact N-O 2.69Å; S2-V14 WeakPolarHBondContact O-CG2 3.11Å; S2-V14 PolarHBondContact O-N 3.22Å; S2-E121 VanDerWaalsContact CB-OE1 3.31Å; S2-E121 WeakPolarHBondContact CB-OE1 3.15Å; S2-E121 PolarHBondContact OG-OE1 3.16Å
3V85.4Confident81.6Confident94 Ų9484.7 Ų84.757%0.5746%0.464SS*.EExtended strand (participates in β ladder)trans-107122.8-178.4-176.60000109.4V11 V13V3-V11 HydrophobicContact CG1-CG1 3.18Å; V3-V13 HydrophobicContact CG2-CG2 4.33Å
4L86.4Confident82.2Confident13 Ų1378.7 Ų78.77%0.06843%0.431CS..EExtended strand (participates in β ladder)trans-103.2141.2174.4-60.9-174.8000110.3V11 E12 V14 L57 Y114L4-V11 WeakPolarHBondContact O-CA 3.29Å; L4-E12 PolarHBondContact N-O 3.25Å; L4-E12 PolarHBondContact O-N 3.01Å; L4-V14 HydrophobicContact CD1-CB 4.48Å; L4-V14 HydrophobicContact CD1-CG1 3.88Å; L4-V14 HydrophobicContact CD1-CG2 3.82Å; L4-V14 HydrophobicContact CD2-CG2 4.42Å; L4-V14 HydrophobicContact CG-CG1 4.23Å; L4-V14 HydrophobicContact CG-CG2 3.69Å; L4-L57 HydrophobicContact CD1-CD2 4.07Å; L4-Y114 HydrophobicContact CB-CD1 4.12Å
5T83.2Confident82.8Confident94 Ų9476.7 Ų76.758%0.57742%0.417SS*.EExtended strand (participates in β ladder)trans-120.8125.5175.4-48.60000109.4K10 V11T5-K10 CarbonylContact C-O 3.53Å; T5-K10 WeakPolarHBondContact CA-O 3.49Å; T5-V11 HydrophobicContact CG2-CG2 4.2Å
6S82.8Confident83.3Confident6 Ų674.2 Ų74.24%0.04241%0.407CS..  trans-71160.317783.70000111.4R8 G9 K10 E113S6-R8 PolarHBondContact O-N 3.34Å; S6-R8 PolarHBondContact OG-N 3.31Å; S6-G9 PolarHBondContact O-N 2.87Å; S6-G9 PolarHBondContact OG-N 3.11Å; S6-K10 PolarHBondContact N-O 3.33Å; S6-K10 PolarHBondContact OG-N 3.02Å; S6-E113 WeakPolarHBondContact CB-OE1 3.42Å; S6-E113 PolarHBondContact OG-OE1 3.14Å
7P76.1Confident83.7Confident128 Ų12872.9 Ų72.983%0.83140%0.395SS*.THydrogen-bonded Turntrans-57.3-16.2171.4-24.434.3000114E113P7-E113 WeakPolarHBondContact CD-O 3.27Å
8R78.6Confident84.1Confident225 Ų22572.8 Ų72.885%0.84939%0.388SS*.THydrogen-bonded Turntrans-96.94.5177.1-61.1-178.9177.8-175.30.2113.2S6S6-R8 PolarHBondContact O-N 3.34Å; S6-R8 PolarHBondContact OG-N 3.31Å
9G77.1Confident84.5Confident53 Ų5370.3 Ų70.355%0.54638%0.375SS..SBendtrans83.77.817800000115.2S6S6-G9 PolarHBondContact O-N 2.87Å; S6-G9 PolarHBondContact OG-N 3.11Å
10K83.6Confident84.7Confident106 Ų10671 Ų7146%0.46138%0.376SS..  trans-77.7134.7175.7-169.4-179.1170.1-148.70109.6T5 S6 E12 Y114T5-K10 CarbonylContact C-O 3.53Å; T5-K10 WeakPolarHBondContact CA-O 3.49Å; S6-K10 PolarHBondContact N-O 3.33Å; S6-K10 PolarHBondContact OG-N 3.02Å; K10-E12 WeakPolarHBondContact CE-OE1 3.24Å; K10-E12 IonicContact NZ-OE1 2.82Å; K10-E12 PolarHBondContact NZ-OE1 3.03Å; K10-Y114 WeakPolarHBondContact CB-OH 3.41Å; K10-Y114 VanDerWaalsContact CD-OH 3.27Å; K10-Y114 WeakPolarHBondContact CD-OH 3.13Å; K10-Y114 VanDerWaalsContact CG-OH 3.26Å; K10-Y114 WeakPolarHBondContact CG-OH 3.21Å
11V86.8Confident84.7Confident81 Ų8171 Ų7149%0.49138%0.382SS..EExtended strand (participates in β ladder)trans-107.9132.6-176.4-177.90000109.8V3 L4 T5V3-V11 HydrophobicContact CG1-CG1 3.18Å; L4-V11 WeakPolarHBondContact O-CA 3.29Å; T5-V11 HydrophobicContact CG2-CG2 4.2Å
12E86.8Confident85.6Confident41 Ų4168.7 Ų68.719%0.19237%0.369CS..EExtended strand (participates in β ladder)trans-128.9136.6173.6-68.2-75.817000108.6L4 K10 Y114L4-E12 PolarHBondContact N-O 3.25Å; L4-E12 PolarHBondContact O-N 3.01Å; K10-E12 WeakPolarHBondContact CE-OE1 3.24Å; K10-E12 IonicContact NZ-OE1 2.82Å; K10-E12 PolarHBondContact NZ-OE1 3.03Å; E12-Y114 HydrophobicContact CB-CE1 4.3Å; E12-Y114 HydrophobicContact CG-CE1 3.92Å; E12-Y114 HydrophobicContact CG-CE2 3.94Å; E12-Y114 VanDerWaalsContact CG-CZ 3.46Å; E12-Y114 VanDerWaalsContact CG-OH 3.27Å; E12-Y114 WeakPolarHBondContact CG-OH 3.34Å
13V88.4Confident86.1Confident42 Ų4267.2 Ų67.226%0.25536%0.358SS..EExtended strand (participates in β ladder)trans-90.8134.8170.1-177.60000107.5M1 S2 V3 N59 D60M1-V13 HydrophobicContact CB-CG1 3.88Å; M1-V13 HydrophobicContact SD-CG1 4.06Å; S2-V13 WeakPolarHBondContact O-CA 3.49Å; V3-V13 HydrophobicContact CG2-CG2 4.33Å; V13-N59 WeakPolarHBondContact O-CA 3.3Å; V13-D60 WeakPolarHBondContact CB-OD1 3.4Å; V13-D60 WeakPolarHBondContact CB-OD2 3.42Å; V13-D60 VanDerWaalsContact CG1-OD1 3.3Å; V13-D60 WeakPolarHBondContact CG1-OD1 3.5Å; V13-D60 PolarHBondContact O-N 3.07Å
14V90.6Very high86.4Confident1 Ų163.9 Ų63.91%0.00634%0.337CS..EExtended strand (participates in β ladder)trans-132.5154.6-174.9-61.30000111.6M1 S2 L4 L57 C58 M65M1-V14 CarbonylContact C-O 3.5Å; M1-V14 WeakPolarHBondContact CA-O 2.96Å; S2-V14 PolarHBondContact N-O 2.69Å; S2-V14 WeakPolarHBondContact O-CG2 3.11Å; S2-V14 PolarHBondContact O-N 3.22Å; L4-V14 HydrophobicContact CD1-CB 4.48Å; L4-V14 HydrophobicContact CD1-CG1 3.88Å; L4-V14 HydrophobicContact CD1-CG2 3.82Å; L4-V14 HydrophobicContact CD2-CG2 4.42Å; L4-V14 HydrophobicContact CG-CG1 4.23Å; L4-V14 HydrophobicContact CG-CG2 3.69Å; V14-L57 HydrophobicContact CB-CD1 3.88Å; V14-L57 HydrophobicContact CB-CD2 4.35Å; V14-L57 HydrophobicContact CB-CG 4.05Å; V14-L57 HydrophobicContact CG1-CD2 4.44Å; V14-L57 HydrophobicContact CG1-CG 4.46Å; V14-L57 HydrophobicContact CG2-CD1 3.82Å; V14-L57 HydrophobicContact CG2-CD2 4.3Å; V14-L57 HydrophobicContact CG2-CG 4.31Å; V14-C58 CarbonylContact C-O 3.51Å; V14-C58 WeakPolarHBondContact CA-O 3.23Å; V14-C58 VanDerWaalsContact CB-O 3.31Å; V14-C58 WeakPolarHBondContact CB-O 3.49Å; V14-M65 HydrophobicContact CG1-CG 4.42Å
15H90.8Very high86.6Confident48 Ų4872.2 Ų72.222%0.22237%0.369CS..EExtended strand (participates in β ladder)trans-137.3151.6170.869.5-88.1000110.2M1 C58 E62M1-H15 HydrophobicContact CG-CB 4.31Å; H15-C58 PolarHBondContact N-O 3.12Å; H15-C58 PolarHBondContact O-N 3.2Å; H15-E62 IonicContact CE1-OE1 3.52Å; H15-E62 PolarHBondContact CE1-OE1 2.73Å; H15-E62 IonicContact CE1-OE2 2.74Å; H15-E62 IonicContact NE2-OE1 3.33Å; H15-E62 PolarHBondContact NE2-OE1 3.29Å; H15-E62 IonicContact NE2-OE2 3.58Å
16C90.4Very high86.9Confident37 Ų3770.1 Ų70.125%0.2536%0.357CS..EExtended strand (participates in β ladder)trans-101.1139.8177.9-64.60000110.2V55 T56 L57 T125C16-V55 HydrophobicContact CB-CG1 4.14Å; C16-T56 WeakPolarHBondContact CA-O 3.21Å; C16-L57 HydrophobicContact CB-CD1 4.48Å; C16-L57 WeakPolarHBondContact SG-CD1 3.31Å; C16-T125 HydrophobicContact CB-CG2 3.83Å; C16-T125 PolarHBondContact SG-OG1 3Å
17R91Very high87.3Confident53 Ų5369.8 Ų69.820%0.236%0.355CS..EExtended strand (participates in β ladder)trans-135.8169.8164.861.6171176.574.80.2110.4E20 D23 T56R17-E20 IonicContact CZ-OE1 2.57Å; R17-E20 IonicContact NH1-OE1 2.74Å; R17-E20 IonicContact NH1-OE2 3.49Å; R17-D23 IonicContact CZ-OD1 2.88Å; R17-D23 IonicContact CZ-OD2 3.25Å; R17-D23 IonicContact NH1-OD1 2.77Å; R17-D23 PolarHBondContact NH1-OD1 3.23Å; R17-D23 IonicContact NH1-OD2 3.52Å; R17-D23 PolarHBondContact NH1-OD2 2.76Å; R17-D23 IonicContact NH2-OD1 3.76Å; R17-D23 PolarHBondContact NH2-OD1 3.48Å; R17-D23 IonicContact NH2-OD2 2.76Å; R17-T56 PolarHBondContact N-O 2.77Å; R17-T56 PolarHBondContact O-N 3.4Å; R17-T56 VanDerWaalsContact O-O 3.05Å
18R89.9Confident88.1Confident71 Ų7168.8 Ų68.827%0.26834%0.338SS..EExtended strand (participates in β ladder)trans-66.6147.8170-78.7-177.7147.8-152.1-10.2110.1A54 L658 E659R18-A54 WeakPolarHBondContact CA-O 3.32Å; R18-L658 PolarHBondContact NH2-O 2.79Å; R18-E659 IonicContact NH1-OE1 3.31Å; R18-E659 IonicContact NH1-OE2 3.99Å; R18-E659 PolarHBondContact NH1-OE2 2.83Å; R18-E659 VanDerWaalsContact NH2-CA 3.35Å
19T92.1Very high88.6Confident25 Ų2562 Ų6215%0.15333%0.325CS..  trans-69.6132.5178.2-57.20000110.7D23 I27 L48 A54 V55 T56 Q67T19-D23 WeakPolarHBondContact CA-OD2 3.39Å; T19-D23 HydrophobicContact CG2-CB 4.05Å; T19-I27 HydrophobicContact CG2-CD1 3.7Å; T19-L48 HydrophobicContact CG2-CD1 3.95Å; T19-L48 HydrophobicContact CG2-CD2 3.85Å; T19-A54 PolarHBondContact N-O 2.76Å; T19-V55 PolarHBondContact OG1-N 2.94Å; T19-T56 VanDerWaalsContact CA-OG1 3.25Å; T19-T56 WeakPolarHBondContact CA-OG1 3.46Å; T19-T56 VanDerWaalsContact CB-OG1 3.32Å; T19-T56 WeakPolarHBondContact CB-OG1 3.13Å; T19-T56 WeakPolarHBondContact CG2-OG1 3.3Å; T19-T56 PolarHBondContact OG1-N 2.93Å; T19-T56 PolarHBondContact OG1-OG1 3.12Å; T19-Q67 HydrophobicContact CG2-CG 4.29Å
20E88.5Confident89.3Confident83 Ų8360.7 Ų60.739%0.38831%0.305SS..  trans-107.2162.5179-69170.4-161.600111.2R17 Q22 D23R17-E20 IonicContact CZ-OE1 2.57Å; R17-E20 IonicContact NH1-OE1 2.74Å; R17-E20 IonicContact NH1-OE2 3.49Å; E20-Q22 HydrophobicContact CB-CG 3.92Å; E20-Q22 PolarHBondContact O-N 2.91Å; E20-Q22 PolarHBondContact OE2-NE2 2.92Å; E20-D23 PolarHBondContact N-OD2 3.12Å; E20-D23 VanDerWaalsContact O-CB 3.29Å; E20-D23 WeakPolarHBondContact O-CB 3.35Å; E20-D23 PolarHBondContact O-N 3.23Å; E20-D23 VanDerWaalsContact O-N 3.08Å
21S84.3Confident89.6Confident71 Ų7158 Ų5850%0.49730%0.296SS..G310 helixtrans-62.7-30.9178.855.20000112.7D23 I24 Y546S21-D23 PolarHBondContact O-N 2.94Å; S21-I24 WeakPolarHBondContact O-CB 3.14Å; S21-I24 WeakPolarHBondContact O-CD1 3.18Å; S21-I24 WeakPolarHBondContact O-CG1 3.32Å; S21-I24 PolarHBondContact O-N 3.33Å; S21-Y546 WeakPolarHBondContact CB-OH 3.27Å
22Q85.4Confident89.7Confident135 Ų13560 Ų6063%0.63129%0.294SS*.G310 helixtrans-64.8-24.7175.158.41785.400113.4E20 I24E20-Q22 HydrophobicContact CB-CG 3.92Å; E20-Q22 PolarHBondContact O-N 2.91Å; E20-Q22 PolarHBondContact OE2-NE2 2.92Å; Q22-I24 PolarHBondContact O-N 3.26Å
23D90.9Very high89.7Confident5 Ų567 Ų673%0.02732%0.324CS..G310 helixtrans-70-17.2-179-60.4-19.7000112.5R17 T19 E20 S21 Y25 C26 I27 T56 I64R17-D23 IonicContact CZ-OD1 2.88Å; R17-D23 IonicContact CZ-OD2 3.25Å; R17-D23 IonicContact NH1-OD1 2.77Å; R17-D23 PolarHBondContact NH1-OD1 3.23Å; R17-D23 IonicContact NH1-OD2 3.52Å; R17-D23 PolarHBondContact NH1-OD2 2.76Å; R17-D23 IonicContact NH2-OD1 3.76Å; R17-D23 PolarHBondContact NH2-OD1 3.48Å; R17-D23 IonicContact NH2-OD2 2.76Å; T19-D23 WeakPolarHBondContact CA-OD2 3.39Å; T19-D23 HydrophobicContact CG2-CB 4.05Å; E20-D23 PolarHBondContact N-OD2 3.12Å; E20-D23 VanDerWaalsContact O-CB 3.29Å; E20-D23 WeakPolarHBondContact O-CB 3.35Å; E20-D23 PolarHBondContact O-N 3.23Å; E20-D23 VanDerWaalsContact O-N 3.08Å; S21-D23 PolarHBondContact O-N 2.94Å; D23-Y25 VanDerWaalsContact C-N 3.28Å; D23-Y25 PolarHBondContact O-N 3.28Å; D23-C26 PolarHBondContact O-N 3.42Å; D23-C26 VanDerWaalsContact O-N 3.14Å; D23-I27 HydrophobicContact CB-CD1 3.76Å; D23-I27 HydrophobicContact CB-CG1 4.27Å; D23-I27 VanDerWaalsContact O-CG1 3.25Å; D23-I27 WeakPolarHBondContact O-CG1 3.26Å; D23-I27 PolarHBondContact O-N 3.46Å; D23-T56 PolarHBondContact OD2-OG1 3.22Å; D23-I64 HydrophobicContact CB-CD1 3.52Å; D23-I64 WeakPolarHBondContact OD1-CD1 3.42Å
24I90.9Very high89.6Confident24 Ų2469.4 Ų69.412%0.12333%0.331CS..Hα-helixtrans-55.6-39.8-170.6-68.6167.6000112.4S21 Q22 K28 I45 L48S21-I24 WeakPolarHBondContact O-CB 3.14Å; S21-I24 WeakPolarHBondContact O-CD1 3.18Å; S21-I24 WeakPolarHBondContact O-CG1 3.32Å; S21-I24 PolarHBondContact O-N 3.33Å; Q22-I24 PolarHBondContact O-N 3.26Å; I24-K28 HydrophobicContact CG2-CD 4.2Å; I24-K28 WeakPolarHBondContact O-CB 3.23Å; I24-K28 VanDerWaalsContact O-CG 3.3Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.07Å; I24-I45 HydrophobicContact CD1-CG1 4.18Å; I24-I45 HydrophobicContact CG2-CG1 4.24Å; I24-L48 HydrophobicContact CD1-CD1 4.49Å; I24-L48 HydrophobicContact CG1-CD1 3.87Å
25Y89.6Confident89.5Confident187 Ų18770 Ų7073%0.73334%0.335SS*.Hα-helixtrans-65.1-49.6179.7177.7-94.7000111.4D23 K28 S29D23-Y25 VanDerWaalsContact C-N 3.28Å; D23-Y25 PolarHBondContact O-N 3.28Å; Y25-K28 WeakPolarHBondContact O-CB 3.44Å; Y25-K28 PolarHBondContact O-N 2.74Å; Y25-S29 PolarHBondContact O-N 2.99Å
26C90.6Very high89.3Confident50 Ų5070.2 Ų70.234%0.33834%0.341SS..Hα-helixtrans-63.4-42.4178.2-67.20000111.5D23 K28 S29 L30 I64D23-C26 PolarHBondContact O-N 3.42Å; D23-C26 VanDerWaalsContact O-N 3.14Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 2.88Å; C26-S29 WeakPolarHBondContact O-CB 3.44Å; C26-S29 PolarHBondContact O-N 2.76Å; C26-S29 VanDerWaalsContact O-N 3.08Å; C26-S29 PolarHBondContact O-OG 3.15Å; C26-L30 PolarHBondContact O-N 3.49Å; C26-I64 HydrophobicContact CB-CB 4.29Å; C26-I64 HydrophobicContact CB-CD1 3.67Å; C26-I64 HydrophobicContact CB-CG1 4.26Å
27I91.8Very high89.1Confident0 Ų074 Ų740%035%0.354CS..Hα-helixtrans-57.3-47.1174.7-65.8163.3000110.3T19 D23 S29 L30 I31 I44 L48 Q67 L107 V109T19-I27 HydrophobicContact CG2-CD1 3.7Å; D23-I27 HydrophobicContact CB-CD1 3.76Å; D23-I27 HydrophobicContact CB-CG1 4.27Å; D23-I27 VanDerWaalsContact O-CG1 3.25Å; D23-I27 WeakPolarHBondContact O-CG1 3.26Å; D23-I27 PolarHBondContact O-N 3.46Å; I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.16Å; I27-L30 PolarHBondContact O-N 2.79Å; I27-L30 VanDerWaalsContact O-N 3.11Å; I27-I31 WeakPolarHBondContact O-CG1 3.43Å; I27-I31 PolarHBondContact O-N 3.5Å; I27-I44 HydrophobicContact CG2-CG2 4.01Å; I27-L48 HydrophobicContact CD1-CD1 4.27Å; I27-Q67 HydrophobicContact CD1-CB 4.43Å; I27-Q67 HydrophobicContact CD1-CG 3.74Å; I27-Q67 HydrophobicContact CG1-CB 4.04Å; I27-Q67 HydrophobicContact CG1-CG 3.91Å; I27-L107 HydrophobicContact CG2-CD2 4.27Å; I27-V109 HydrophobicContact CG2-CG2 4.14Å
28K91.3Very high88.9Confident106 Ų10671.7 Ų71.746%0.46135%0.345SS..Hα-helixtrans-60-36177.2-76.5174.1179.3175.90112.5I24 Y25 C26 L30 I31 I44I24-K28 HydrophobicContact CG2-CD 4.2Å; I24-K28 WeakPolarHBondContact O-CB 3.23Å; I24-K28 VanDerWaalsContact O-CG 3.3Å; I24-K28 WeakPolarHBondContact O-CG 3.39Å; I24-K28 PolarHBondContact O-N 3.07Å; Y25-K28 WeakPolarHBondContact O-CB 3.44Å; Y25-K28 PolarHBondContact O-N 2.74Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 2.88Å; K28-L30 VanDerWaalsContact C-N 3.27Å; K28-L30 PolarHBondContact O-N 3.18Å; K28-I31 PolarHBondContact O-N 2.89Å; K28-I44 HydrophobicContact CG-CG1 4.28Å
29S90.8Very high88.9Confident84 Ų8468.7 Ų68.759%0.58733%0.334SS*.Hα-helixtrans-66.7-27.6177.481.70000113.4Y25 C26 I27Y25-S29 PolarHBondContact O-N 2.99Å; C26-S29 WeakPolarHBondContact O-CB 3.44Å; C26-S29 PolarHBondContact O-N 2.76Å; C26-S29 VanDerWaalsContact O-N 3.08Å; C26-S29 PolarHBondContact O-OG 3.15Å; I27-S29 VanDerWaalsContact C-N 3.26Å; I27-S29 PolarHBondContact O-N 3.16Å
30L91Very high88.6Confident25 Ų2568.2 Ų68.213%0.13133%0.334CS..Hα-helixtrans-84.1-12.5178-63.9174.4000113.2C26 I27 K28 R32 I64 V109 V111C26-L30 PolarHBondContact O-N 3.49Å; I27-L30 PolarHBondContact O-N 2.79Å; I27-L30 VanDerWaalsContact O-N 3.11Å; K28-L30 VanDerWaalsContact C-N 3.27Å; K28-L30 PolarHBondContact O-N 3.18Å; L30-R32 PolarHBondContact O-N 3.19Å; L30-I64 HydrophobicContact CD1-CG2 4.26Å; L30-V109 HydrophobicContact CB-CB 3.85Å; L30-V109 HydrophobicContact CB-CG2 4.05Å; L30-V109 HydrophobicContact CD1-CG2 4.25Å; L30-V111 HydrophobicContact CD2-CG2 3.83Å
31I90.4Very high88.4Confident50 Ų5074.1 Ų74.126%0.25636%0.358SS..  trans-72125.3178.9-65.8171.6000110.2I27 K28 T35 I44 V109I27-I31 WeakPolarHBondContact O-CG1 3.43Å; I27-I31 PolarHBondContact O-N 3.5Å; K28-I31 PolarHBondContact O-N 2.89Å; I31-T35 HydrophobicContact CG2-CG2 4.44Å; I31-I44 HydrophobicContact CD1-CD1 3.62Å; I31-I44 HydrophobicContact CD1-CG1 3.83Å; I31-V109 HydrophobicContact CG1-CG1 3.9Å
32R88.6Confident88.5Confident121 Ų12173.7 Ų73.746%0.45735%0.35SS..  trans-114.2167.1179.3-64167.8177.4-144.8-0111.1L30 F34 T35 C36 D112L30-R32 PolarHBondContact O-N 3.19Å; R32-F34 PolarHBondContact O-N 2.98Å; R32-F34 VanDerWaalsContact O-N 3.12Å; R32-T35 PolarHBondContact N-OG1 3.39Å; R32-T35 WeakPolarHBondContact O-CB 3.35Å; R32-T35 PolarHBondContact O-N 3.5Å; R32-C36 PolarHBondContact O-N 2.99Å; R32-C36 VanDerWaalsContact O-N 3.12Å; R32-D112 IonicContact CZ-OD1 3.36Å; R32-D112 IonicContact CZ-OD2 3.68Å; R32-D112 IonicContact NE-OD1 3.93Å; R32-D112 IonicContact NH1-OD1 3.5Å; R32-D112 PolarHBondContact NH1-OD1 2.86Å; R32-D112 IonicContact NH1-OD2 3.68Å; R32-D112 PolarHBondContact NH1-OD2 3.37Å; R32-D112 IonicContact NH2-OD1 2.78Å; R32-D112 PolarHBondContact NH2-OD1 2.88Å; R32-D112 VanDerWaalsContact NH2-OD1 3.16Å; R32-D112 IonicContact NH2-OD2 2.8Å; R32-D112 PolarHBondContact NH2-OD2 3.26Å
33K86.1Confident88.7Confident190 Ų19071.5 Ų71.583%0.82634%0.343SS*.Hα-helixtrans-53.6-33.4172.7-70-175.1-179.7178.30112.6K37K33-K37 WeakPolarHBondContact O-CG 3.32Å; K33-K37 PolarHBondContact O-N 3.44Å
34F86.4Confident88.7Confident91 Ų9171.5 Ų71.540%0.39934%0.343SS..Hα-helixtrans-67.7-44175.4-178.3-106.2000112.3R32 C36 K37 L38 S145R32-F34 PolarHBondContact O-N 2.98Å; R32-F34 VanDerWaalsContact O-N 3.12Å; F34-C36 VanDerWaalsContact C-N 3.35Å; F34-C36 PolarHBondContact O-N 3.01Å; F34-K37 WeakPolarHBondContact O-CB 3.3Å; F34-K37 PolarHBondContact O-N 2.98Å; F34-K37 VanDerWaalsContact O-N 3.08Å; F34-L38 HydrophobicContact CD1-CD1 3.95Å; F34-L38 HydrophobicContact CE1-CD1 3.3Å; F34-L38 HydrophobicContact CE1-CG 4.13Å; F34-L38 HydrophobicContact CE2-CD1 4.39Å; F34-L38 HydrophobicContact CE2-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.56Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; F34-L38 HydrophobicContact CZ-CG 4.04Å; F34-L38 PolarHBondContact O-N 2.9Å; F34-L38 VanDerWaalsContact O-N 3.15Å; F34-S145 WeakPolarHBondContact CZ-O 3.39Å
35T88Confident88.7Confident13 Ų1373 Ų738%0.0835%0.35CS..Hα-helixtrans-57.1-47174.7-44.90000111.5I31 R32 K37 L38 F39 L107 V109I31-T35 HydrophobicContact CG2-CG2 4.44Å; R32-T35 PolarHBondContact N-OG1 3.39Å; R32-T35 WeakPolarHBondContact O-CB 3.35Å; R32-T35 PolarHBondContact O-N 3.5Å; T35-K37 PolarHBondContact O-N 2.98Å; T35-L38 PolarHBondContact O-N 2.84Å; T35-L38 VanDerWaalsContact O-N 3.17Å; T35-F39 HydrophobicContact CG2-CD2 3.9Å; T35-F39 HydrophobicContact CG2-CE2 4.44Å; T35-F39 PolarHBondContact O-N 3.14Å; T35-L107 HydrophobicContact CG2-CD1 3.9Å; T35-V109 HydrophobicContact CG2-CG1 3.82Å
36C87Confident88.8Confident54 Ų5468.6 Ų68.637%0.36533%0.333SS..Hα-helixtrans-63.8-24.1178.6-610000113.5R32 F34 G40R32-C36 PolarHBondContact O-N 2.99Å; R32-C36 VanDerWaalsContact O-N 3.12Å; F34-C36 VanDerWaalsContact C-N 3.35Å; F34-C36 PolarHBondContact O-N 3.01Å; C36-G40 CarbonylContact O-C 3.59Å; C36-G40 WeakPolarHBondContact O-CA 3.25Å; C36-G40 PolarHBondContact O-N 2.85Å; C36-G40 VanDerWaalsContact O-N 3.1Å
37K86.6Confident88.9Confident117 Ų11766.8 Ų66.851%0.50932%0.32SS..Hα-helixtrans-78.9-36.3175.9-79168159-161.90112.2K33 F34 T35 M144K33-K37 WeakPolarHBondContact O-CG 3.32Å; K33-K37 PolarHBondContact O-N 3.44Å; F34-K37 WeakPolarHBondContact O-CB 3.3Å; F34-K37 PolarHBondContact O-N 2.98Å; F34-K37 VanDerWaalsContact O-N 3.08Å; T35-K37 PolarHBondContact O-N 2.98Å; K37-M144 HydrophobicContact CB-CE 3.72Å; K37-M144 HydrophobicContact CB-SD 4.04Å; K37-M144 HydrophobicContact CD-CE 3.53Å; K37-M144 HydrophobicContact CD-SD 4.28Å; K37-M144 HydrophobicContact CG-CE 3.74Å
38L87.5Confident88.9Confident3 Ų368.1 Ų68.12%0.01633%0.327CS..Hα-helixtrans-76.9-44.2179.2-71.6177.8000112.9F34 T35 W76 V140 M144 L150F34-L38 HydrophobicContact CD1-CD1 3.95Å; F34-L38 HydrophobicContact CE1-CD1 3.3Å; F34-L38 HydrophobicContact CE1-CG 4.13Å; F34-L38 HydrophobicContact CE2-CD1 4.39Å; F34-L38 HydrophobicContact CE2-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.56Å; F34-L38 HydrophobicContact CZ-CD2 4.31Å; F34-L38 HydrophobicContact CZ-CG 4.04Å; F34-L38 PolarHBondContact O-N 2.9Å; F34-L38 VanDerWaalsContact O-N 3.15Å; T35-L38 PolarHBondContact O-N 2.84Å; T35-L38 VanDerWaalsContact O-N 3.17Å; L38-W76 WeakPolarHBondContact O-CZ2 3.44Å; L38-W76 PolarHBondContact O-NE1 3.09Å; L38-V140 HydrophobicContact CD2-CB 4.25Å; L38-V140 HydrophobicContact CD2-CG1 3.93Å; L38-M144 HydrophobicContact CD2-CB 4.16Å; L38-L150 HydrophobicContact CD1-CD1 4.13Å
39F89.6Confident89Confident8 Ų863.6 Ų63.64%0.03531%0.307CS..Hα-helixtrans-111.2-1-170.6-58.6-77000113.8T35 L42 M105 H106 F108 L138 L150T35-F39 HydrophobicContact CG2-CD2 3.9Å; T35-F39 HydrophobicContact CG2-CE2 4.44Å; T35-F39 PolarHBondContact O-N 3.14Å; F39-L42 HydrophobicContact CB-CD1 3.75Å; F39-M105 HydrophobicContact CE1-CG 4.41Å; F39-H106 WeakPolarHBondContact CD1-O 3.46Å; F39-F108 HydrophobicContact CE2-CB 4.33Å; F39-F108 HydrophobicContact CZ-CB 4.07Å; F39-L138 HydrophobicContact CD1-CD1 4.45Å; F39-L138 HydrophobicContact CE1-CD1 3.52Å; F39-L138 HydrophobicContact CZ-CD1 4.07Å; F39-L150 HydrophobicContact CZ-CD1 4.42Å
40G86.2Confident89Confident15 Ų1559.9 Ų59.916%0.15528%0.281CS..  trans79.2-174.2-176.700000113.8C36 L42C36-G40 CarbonylContact O-C 3.59Å; C36-G40 WeakPolarHBondContact O-CA 3.25Å; C36-G40 PolarHBondContact O-N 2.85Å; C36-G40 VanDerWaalsContact O-N 3.1Å; G40-L42 PolarHBondContact O-N 2.82Å
41K84.1Confident89.1Confident207 Ų20758.9 Ų58.990%0.928%0.276SS*.SBendtrans-83.3104.8173.8-73-177-179.5176.70109.2
42L85.8Confident89.3Confident63 Ų6356.5 Ų56.533%0.3326%0.264SS..  trans-102.5136.4-175.5-62.9168.9000111.8F39 G40 I44 L47 L107F39-L42 HydrophobicContact CB-CD1 3.75Å; G40-L42 PolarHBondContact O-N 2.82Å; L42-I44 HydrophobicContact CB-CD1 4.19Å; L42-I44 PolarHBondContact O-N 3.4Å; L42-L47 HydrophobicContact CD1-CD2 4.01Å; L42-L107 HydrophobicContact CD1-CB 4.38Å; L42-L107 HydrophobicContact CD1-CD1 4.01Å
43N89.3Confident89.6Confident89 Ų8951 Ų5148%0.47624%0.244SC..  trans-83.7103.9160.6-178.9-17.9000108.1I45 Y46 L47N43-I45 VanDerWaalsContact C-N 3.27Å; N43-I45 PolarHBondContact O-N 3.46Å; N43-I45 PolarHBondContact OD1-N 2.81Å; N43-I45 VanDerWaalsContact OD1-N 3.14Å; N43-Y46 PolarHBondContact O-N 3.14Å; N43-Y46 PolarHBondContact OD1-N 2.88Å; N43-L47 WeakPolarHBondContact O-CB 3.44Å; N43-L47 PolarHBondContact O-N 3.4Å
44I91.7Very high90Very high5 Ų542.7 Ų42.73%0.02621%0.21CC..Hα-helixtrans-59.2-38.1-175.4-55-56000112.3I27 K28 I31 L42 L47 L48 L107I27-I44 HydrophobicContact CG2-CG2 4.01Å; K28-I44 HydrophobicContact CG-CG1 4.28Å; I31-I44 HydrophobicContact CD1-CD1 3.62Å; I31-I44 HydrophobicContact CD1-CG1 3.83Å; L42-I44 HydrophobicContact CB-CD1 4.19Å; L42-I44 PolarHBondContact O-N 3.4Å; I44-L47 PolarHBondContact O-N 3.34Å; I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.22Å; I44-L48 WeakPolarHBondContact O-CB 3.32Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.46Å; I44-L48 PolarHBondContact O-N 3.17Å; I44-L107 HydrophobicContact CD1-CD2 3.66Å
45I91.4Very high90.5Very high54 Ų5438.6 Ų38.628%0.27719%0.192SC..Hα-helixtrans-63.9-50.1179.8-47.7-170.8000109.5I24 N43 L47 L48 E49 H549I24-I45 HydrophobicContact CD1-CG1 4.18Å; I24-I45 HydrophobicContact CG2-CG1 4.24Å; N43-I45 VanDerWaalsContact C-N 3.27Å; N43-I45 PolarHBondContact O-N 3.46Å; N43-I45 PolarHBondContact OD1-N 2.81Å; N43-I45 VanDerWaalsContact OD1-N 3.14Å; I45-L47 VanDerWaalsContact C-N 3.32Å; I45-L47 PolarHBondContact O-N 2.93Å; I45-L48 PolarHBondContact O-N 3.06Å; I45-E49 WeakPolarHBondContact O-CB 3.24Å; I45-E49 PolarHBondContact O-N 2.98Å; I45-H549 WeakPolarHBondContact CG2-NE2 3.05Å
46Y91.3Very high90.8Very high95 Ų9538 Ų3837%0.37319%0.189SC..Hα-helixtrans-61.3-41177.5-178.6-95.7000112.2N43 E49 K50 H549N43-Y46 PolarHBondContact O-N 3.14Å; N43-Y46 PolarHBondContact OD1-N 2.88Å; Y46-E49 PolarHBondContact O-N 2.83Å; Y46-K50 HydrophobicContact CE1-CG 4.16Å; Y46-K50 HydrophobicContact CE2-CG 4.24Å; Y46-K50 WeakPolarHBondContact O-CG 3.24Å; Y46-K50 PolarHBondContact O-N 3.19Å; Y46-K50 VanDerWaalsContact O-N 3.16Å; Y46-H549 HydrophobicContact CD2-CB 3.97Å; Y46-H549 HydrophobicContact CE2-CB 4.47Å
47L92.3Very high91.2Very high13 Ų1335.4 Ų35.47%0.06817%0.171CC..Hα-helixtrans-65.8-46.6-179.6179.762.7000111.9L42 N43 I44 I45 E49 K50 A51 T69 L71 H106 L107L42-L47 HydrophobicContact CD1-CD2 4.01Å; N43-L47 WeakPolarHBondContact O-CB 3.44Å; N43-L47 PolarHBondContact O-N 3.4Å; I44-L47 PolarHBondContact O-N 3.34Å; I45-L47 VanDerWaalsContact C-N 3.32Å; I45-L47 PolarHBondContact O-N 2.93Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 3.5Å; L47-K50 PolarHBondContact O-N 3Å; L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 3.35Å; L47-T69 HydrophobicContact CD1-CG2 4.35Å; L47-T69 HydrophobicContact CD2-CG2 4.35Å; L47-T69 HydrophobicContact CG-CG2 3.97Å; L47-L71 HydrophobicContact CD1-CD1 3.72Å; L47-H106 HydrophobicContact CD1-CB 3.89Å; L47-H106 HydrophobicContact CD2-CB 4.33Å; L47-L107 HydrophobicContact CD2-CB 3.85Å; L47-L107 HydrophobicContact CD2-CD2 4.2Å
48L92.5Very high91.5Very high27 Ų2729.8 Ų29.814%0.14115%0.147CC..Hα-helixtrans-63.9-38177.4-69.5175.7000111.4T19 I24 I27 I44 I45 K50 A51 A54 T69T19-L48 HydrophobicContact CG2-CD1 3.95Å; T19-L48 HydrophobicContact CG2-CD2 3.85Å; I24-L48 HydrophobicContact CD1-CD1 4.49Å; I24-L48 HydrophobicContact CG1-CD1 3.87Å; I27-L48 HydrophobicContact CD1-CD1 4.27Å; I44-L48 HydrophobicContact CG2-CD1 3.9Å; I44-L48 HydrophobicContact CG2-CG 4.22Å; I44-L48 WeakPolarHBondContact O-CB 3.32Å; I44-L48 VanDerWaalsContact O-CG 3.3Å; I44-L48 WeakPolarHBondContact O-CG 3.46Å; I44-L48 PolarHBondContact O-N 3.17Å; I45-L48 PolarHBondContact O-N 3.06Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 2.97Å; L48-A51 WeakPolarHBondContact O-CB 3.42Å; L48-A51 PolarHBondContact O-N 2.91Å; L48-A54 HydrophobicContact CD2-CB 3.65Å; L48-T69 HydrophobicContact CD2-CG2 4.45Å
49E91.7Very high91.7Very high11 Ų1129.9 Ų29.95%0.05115%0.147CC..Hα-helixtrans-64.9-33.3178.9-175.259.3-171.800113.1I45 Y46 L47 I545 Y546 H549 H550 K655I45-E49 WeakPolarHBondContact O-CB 3.24Å; I45-E49 PolarHBondContact O-N 2.98Å; Y46-E49 PolarHBondContact O-N 2.83Å; L47-E49 VanDerWaalsContact C-N 3.3Å; L47-E49 PolarHBondContact O-N 3.5Å; E49-I545 WeakPolarHBondContact OE1-CA 3.28Å; E49-I545 WeakPolarHBondContact OE1-CB 3.39Å; E49-Y546 HydrophobicContact CG-CD2 4.4Å; E49-Y546 PolarHBondContact OE1-N 2.98Å; E49-Y546 VanDerWaalsContact OE2-CD2 3.25Å; E49-Y546 WeakPolarHBondContact OE2-CD2 3.19Å; E49-H549 HydrophobicContact CG-CB 4.21Å; E49-H550 WeakPolarHBondContact CG-NE2 3.46Å; E49-H550 IonicContact OE1-CE1 3.24Å; E49-H550 IonicContact OE1-NE2 2.85Å; E49-H550 PolarHBondContact OE1-NE2 2.87Å; E49-K655 IonicContact OE2-NZ 3.14Å
50K91.4Very high91.5Very high7 Ų734.1 Ų34.13%0.0317%0.17CC..Hα-helixtrans-94.5-4.5179.8-60.6-69.2-177.5166.20113.5Y46 L47 L48 H549 H550 E554 S585 R654Y46-K50 HydrophobicContact CE1-CG 4.16Å; Y46-K50 HydrophobicContact CE2-CG 4.24Å; Y46-K50 WeakPolarHBondContact O-CG 3.24Å; Y46-K50 PolarHBondContact O-N 3.19Å; Y46-K50 VanDerWaalsContact O-N 3.16Å; L47-K50 PolarHBondContact O-N 3Å; L48-K50 VanDerWaalsContact C-N 3.3Å; L48-K50 PolarHBondContact O-N 2.97Å; K50-H549 WeakPolarHBondContact CE-O 3.31Å; K50-H549 PolarHBondContact NZ-O 3.27Å; K50-H549 VanDerWaalsContact NZ-O 3.11Å; K50-H550 PolarHBondContact NZ-ND1 3.04Å; K50-E554 IonicContact NZ-OE1 3.64Å; K50-E554 PolarHBondContact NZ-OE1 3.42Å; K50-E554 IonicContact NZ-OE2 3.43Å; K50-E554 PolarHBondContact NZ-OE2 3.22Å; K50-S585 PolarHBondContact NZ-OG 3.01Å; K50-R654 WeakPolarHBondContact O-CD 3.43Å
51A93.6Very high91.6Very high3 Ų341.1 Ų41.13%0.02520%0.196CC..  trans-65.7143.6-176.600000112.2L47 L48 T69 L71 K655L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 3.35Å; L48-A51 WeakPolarHBondContact O-CB 3.42Å; L48-A51 PolarHBondContact O-N 2.91Å; A51-T69 HydrophobicContact CB-CG2 3.43Å; A51-T69 VanDerWaalsContact CB-CG2 3.43Å; A51-L71 HydrophobicContact CB-CD1 4.26Å; A51-K655 WeakPolarHBondContact O-CA 3.37Å; A51-K655 PolarHBondContact O-N 3.44Å
52N94.2Very high91.7Very high1 Ų136.3 Ų36.31%0.00518%0.177CC..SBendtrans-78.3-37166.5-62.685.8000110.1F70 L71 D72 L658N52-F70 PolarHBondContact N-O 3.43Å; N52-F70 VanDerWaalsContact N-O 3.08Å; N52-L71 VanDerWaalsContact OD1-CA 3.32Å; N52-L71 WeakPolarHBondContact OD1-CA 3.35Å; N52-D72 PolarHBondContact ND2-OD2 3.39Å; N52-D72 VanDerWaalsContact OD1-CG 3.31Å; N52-D72 PolarHBondContact OD1-N 3.42Å; N52-D72 PolarHBondContact OD1-OD2 3.31Å; N52-L658 HydrophobicContact CB-CD1 3.76Å; N52-L658 HydrophobicContact CB-CG 4.45Å
53L94.9Very high91.9Very high6 Ų638.4 Ų38.43%0.03119%0.185CC..EExtended strand (participates in β ladder)trans-149.3133.5177.5-178.764000110.6V55 F70 V126 V130 L658L53-V55 HydrophobicContact CD1-CG2 4.23Å; L53-V55 HydrophobicContact CD2-CG2 4.31Å; L53-V55 HydrophobicContact CG-CG2 4.03Å; L53-F70 HydrophobicContact CB-CB 4.45Å; L53-F70 PolarHBondContact N-O 3.49Å; L53-F70 PolarHBondContact O-N 3.45Å; L53-V126 HydrophobicContact CD2-CB 4.26Å; L53-V126 HydrophobicContact CD2-CG1 3.92Å; L53-V126 HydrophobicContact CD2-CG2 3.94Å; L53-V130 HydrophobicContact CD2-CG2 4.35Å; L53-L658 HydrophobicContact CB-CD1 4.24Å
54A95.4Very high92.1Very high14 Ų1435.2 Ų35.212%0.11617%0.168CC..EExtended strand (participates in β ladder)trans-132.1131.6171.200000109.1R18 T19 L48 A68 T69R18-A54 WeakPolarHBondContact CA-O 3.32Å; T19-A54 PolarHBondContact N-O 2.76Å; L48-A54 HydrophobicContact CD2-CB 3.65Å; A54-A68 WeakPolarHBondContact CA-O 3.42Å; A54-T69 HydrophobicContact CB-CG2 4.29Å
55V95.8Very high92.2Very high5 Ų535.9 Ų35.93%0.0317%0.171CC..EExtended strand (participates in β ladder)trans-124.8129.2-174.1-177.30000109.5C16 T19 L53 Q67 A68 I122 T125 V126C16-V55 HydrophobicContact CB-CG1 4.14Å; T19-V55 PolarHBondContact OG1-N 2.94Å; L53-V55 HydrophobicContact CD1-CG2 4.23Å; L53-V55 HydrophobicContact CD2-CG2 4.31Å; L53-V55 HydrophobicContact CG-CG2 4.03Å; V55-Q67 WeakPolarHBondContact O-CA 3.43Å; V55-A68 PolarHBondContact N-O 2.81Å; V55-A68 PolarHBondContact O-N 2.81Å; V55-I122 HydrophobicContact CB-CG2 4.31Å; V55-I122 HydrophobicContact CG1-CG1 4.4Å; V55-I122 HydrophobicContact CG1-CG2 4.48Å; V55-T125 HydrophobicContact CG1-CG2 4.23Å; V55-V126 HydrophobicContact CG2-CG2 3.93Å
56T95.6Very high92.4Very high0 Ų033.3 Ų33.30%016%0.158CC..EExtended strand (participates in β ladder)trans-108.8136.7173.6-58.10000108.8C16 R17 T19 D23 I64C16-T56 WeakPolarHBondContact CA-O 3.21Å; R17-T56 PolarHBondContact N-O 2.77Å; R17-T56 PolarHBondContact O-N 3.4Å; R17-T56 VanDerWaalsContact O-O 3.05Å; T19-T56 VanDerWaalsContact CA-OG1 3.25Å; T19-T56 WeakPolarHBondContact CA-OG1 3.46Å; T19-T56 VanDerWaalsContact CB-OG1 3.32Å; T19-T56 WeakPolarHBondContact CB-OG1 3.13Å; T19-T56 WeakPolarHBondContact CG2-OG1 3.3Å; T19-T56 PolarHBondContact OG1-N 2.93Å; T19-T56 PolarHBondContact OG1-OG1 3.12Å; D23-T56 PolarHBondContact OD2-OG1 3.22Å; T56-I64 HydrophobicContact CG2-CB 4.33Å; T56-I64 HydrophobicContact CG2-CD1 3.88Å; T56-I64 HydrophobicContact CG2-CG1 3.91Å; T56-I64 HydrophobicContact CG2-CG2 3.7Å
57L94.8Very high92.7Very high0 Ų028.8 Ų28.80%014%0.14CC..EExtended strand (participates in β ladder)trans-107.3123.1173.3-174.277.8000108.8L4 V14 C16 M65 A66 C118 E121 I122L4-L57 HydrophobicContact CD1-CD2 4.07Å; V14-L57 HydrophobicContact CB-CD1 3.88Å; V14-L57 HydrophobicContact CB-CD2 4.35Å; V14-L57 HydrophobicContact CB-CG 4.05Å; V14-L57 HydrophobicContact CG1-CD2 4.44Å; V14-L57 HydrophobicContact CG1-CG 4.46Å; V14-L57 HydrophobicContact CG2-CD1 3.82Å; V14-L57 HydrophobicContact CG2-CD2 4.3Å; V14-L57 HydrophobicContact CG2-CG 4.31Å; C16-L57 HydrophobicContact CB-CD1 4.48Å; C16-L57 WeakPolarHBondContact SG-CD1 3.31Å; L57-M65 HydrophobicContact CD2-CB 4.34Å; L57-M65 PolarHBondContact O-N 3.45Å; L57-A66 HydrophobicContact CB-CB 4.27Å; L57-A66 HydrophobicContact CD2-CB 4.47Å; L57-A66 PolarHBondContact N-O 3.36Å; L57-A66 PolarHBondContact O-N 3.16Å; L57-C118 HydrophobicContact CD2-CB 3.66Å; L57-C118 VanDerWaalsContact CD2-SG 3.53Å; L57-E121 HydrophobicContact CD1-CG 4.18Å; L57-I122 HydrophobicContact CB-CD1 4.32Å; L57-I122 HydrophobicContact CB-CG1 4.3Å
58C92.6Very high92.9Very high0 Ų028.1 Ų28.10%014%0.137CC..EExtended strand (participates in β ladder)trans-114.6153.7179.2-62.80000111V14 H15 E63V14-C58 CarbonylContact C-O 3.51Å; V14-C58 WeakPolarHBondContact CA-O 3.23Å; V14-C58 VanDerWaalsContact CB-O 3.31Å; V14-C58 WeakPolarHBondContact CB-O 3.49Å; H15-C58 PolarHBondContact N-O 3.12Å; H15-C58 PolarHBondContact O-N 3.2Å; C58-E63 VanDerWaalsContact CA-O 3.29Å; C58-E63 WeakPolarHBondContact CA-O 3.36Å
59N91.4Very high93.1Very high4 Ų426.9 Ų26.92%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-84.6179.3165.769.28.5000111.3V13 K61 E62 E63 M65V13-N59 WeakPolarHBondContact O-CA 3.3Å; N59-K61 PolarHBondContact O-N 2.93Å; N59-K61 WeakPolarHBondContact OD1-CA 3.29Å; N59-K61 WeakPolarHBondContact OD1-CB 3.33Å; N59-K61 PolarHBondContact OD1-N 2.95Å; N59-E62 PolarHBondContact O-N 3.07Å; N59-E62 PolarHBondContact OD1-N 2.82Å; N59-E63 PolarHBondContact N-O 3.07Å; N59-E63 PolarHBondContact ND2-OE2 2.92Å; N59-E63 WeakPolarHBondContact OD1-CB 3.47Å; N59-E63 PolarHBondContact OD1-N 2.7Å; N59-M65 HydrophobicContact CB-CG 4.09Å; N59-M65 HydrophobicContact CB-SD 4.3Å
60D86.7Confident93.3Very high98 Ų9826.3 Ų26.352%0.52413%0.128SC..THydrogen-bonded Turntrans-60.1-13.6177.8-66.8-11.9000114.7V13V13-D60 WeakPolarHBondContact CB-OD1 3.4Å; V13-D60 WeakPolarHBondContact CB-OD2 3.42Å; V13-D60 VanDerWaalsContact CG1-OD1 3.3Å; V13-D60 WeakPolarHBondContact CG1-OD1 3.5Å; V13-D60 PolarHBondContact O-N 3.07Å
61K86.8Confident93.5Very high161 Ų16126 Ų2670%0.713%0.126SC*.THydrogen-bonded Turntrans-98.611.4176.7-59.9-177.7-178.2178.30112.8N59 E63N59-K61 PolarHBondContact O-N 2.93Å; N59-K61 WeakPolarHBondContact OD1-CA 3.29Å; N59-K61 WeakPolarHBondContact OD1-CB 3.33Å; N59-K61 PolarHBondContact OD1-N 2.95Å; K61-E63 HydrophobicContact CB-CG 4.11Å; K61-E63 PolarHBondContact O-N 2.91Å
62E87.5Confident93.5Very high107 Ų10725.9 Ų25.950%0.513%0.126SC..  trans61.419.2-173.6-62.3-61149.900114.3H15 N59H15-E62 IonicContact CE1-OE1 3.52Å; H15-E62 PolarHBondContact CE1-OE1 2.73Å; H15-E62 IonicContact CE1-OE2 2.74Å; H15-E62 IonicContact NE2-OE1 3.33Å; H15-E62 PolarHBondContact NE2-OE1 3.29Å; H15-E62 IonicContact NE2-OE2 3.58Å; N59-E62 PolarHBondContact O-N 3.07Å; N59-E62 PolarHBondContact OD1-N 2.82Å
63E90.3Very high93.4Very high106 Ų10628.4 Ų28.450%0.49514%0.135SC..  trans-81.6131.5175-57.5171.4162.700110.3C58 N59 K61 M65C58-E63 VanDerWaalsContact CA-O 3.29Å; C58-E63 WeakPolarHBondContact CA-O 3.36Å; N59-E63 PolarHBondContact N-O 3.07Å; N59-E63 PolarHBondContact ND2-OE2 2.92Å; N59-E63 WeakPolarHBondContact OD1-CB 3.47Å; N59-E63 PolarHBondContact OD1-N 2.7Å; K61-E63 HydrophobicContact CB-CG 4.11Å; K61-E63 PolarHBondContact O-N 2.91Å; E63-M65 PolarHBondContact O-N 2.86Å
64I92.8Very high93.3Very high23 Ų2328.4 Ų28.412%0.11814%0.136CC..EExtended strand (participates in β ladder)trans-71.6116.7-178.1-57.2-172.7000111D23 C26 L30 T56D23-I64 HydrophobicContact CB-CD1 3.52Å; D23-I64 WeakPolarHBondContact OD1-CD1 3.42Å; C26-I64 HydrophobicContact CB-CB 4.29Å; C26-I64 HydrophobicContact CB-CD1 3.67Å; C26-I64 HydrophobicContact CB-CG1 4.26Å; L30-I64 HydrophobicContact CD1-CG2 4.26Å; T56-I64 HydrophobicContact CG2-CB 4.33Å; T56-I64 HydrophobicContact CG2-CD1 3.88Å; T56-I64 HydrophobicContact CG2-CG1 3.91Å; T56-I64 HydrophobicContact CG2-CG2 3.7Å
65M93.9Very high93Very high18 Ų1829 Ų299%0.08914%0.137CC..EExtended strand (participates in β ladder)trans-93.2-36.2178.9-65-93.165.900112.7V14 L57 N59 E63 A110 V111 Y114V14-M65 HydrophobicContact CG1-CG 4.42Å; L57-M65 HydrophobicContact CD2-CB 4.34Å; L57-M65 PolarHBondContact O-N 3.45Å; N59-M65 HydrophobicContact CB-CG 4.09Å; N59-M65 HydrophobicContact CB-SD 4.3Å; E63-M65 PolarHBondContact O-N 2.86Å; M65-A110 WeakPolarHBondContact O-CA 3.45Å; M65-V111 HydrophobicContact CE-CB 3.91Å; M65-V111 HydrophobicContact CE-CG1 4.27Å; M65-V111 HydrophobicContact CE-CG2 3.57Å; M65-V111 PolarHBondContact O-N 2.79Å; M65-Y114 HydrophobicContact SD-CD2 4.42Å
66A95.6Very high92.6Very high0 Ų031.6 Ų31.60%015%0.146CC..EExtended strand (participates in β ladder)trans-160.9161.5178.600000112.3L57 V109 A110 C118 I122L57-A66 HydrophobicContact CB-CB 4.27Å; L57-A66 HydrophobicContact CD2-CB 4.47Å; L57-A66 PolarHBondContact N-O 3.36Å; L57-A66 PolarHBondContact O-N 3.16Å; A66-V109 CarbonylContact C-O 3.54Å; A66-V109 WeakPolarHBondContact CA-O 3.2Å; A66-V109 WeakPolarHBondContact CB-O 3.27Å; A66-A110 HydrophobicContact CB-CB 3.67Å; A66-C118 HydrophobicContact CB-CB 3.5Å; A66-C118 VanDerWaalsContact CB-CB 3.5Å; A66-I122 HydrophobicContact CB-CD1 3.76Å
67Q96.6Very high92.1Very high0 Ų035 Ų350%017%0.165CC..EExtended strand (participates in β ladder)trans-147.7143.1175.8-171.7-83.1-29.300110.7T19 I27 V55 T69 F108 V109T19-Q67 HydrophobicContact CG2-CG 4.29Å; I27-Q67 HydrophobicContact CD1-CB 4.43Å; I27-Q67 HydrophobicContact CD1-CG 3.74Å; I27-Q67 HydrophobicContact CG1-CB 4.04Å; I27-Q67 HydrophobicContact CG1-CG 3.91Å; V55-Q67 WeakPolarHBondContact O-CA 3.43Å; Q67-T69 PolarHBondContact NE2-OG1 2.8Å; Q67-F108 WeakPolarHBondContact O-CA 3.39Å; Q67-V109 HydrophobicContact CB-CG2 3.89Å; Q67-V109 PolarHBondContact N-O 2.79Å; Q67-V109 PolarHBondContact O-N 2.82Å
68A96.6Very high91.7Very high0 Ų035.1 Ų35.10%017%0.165CC..EExtended strand (participates in β ladder)trans-138.6144.9171.100000112.7A54 V55 F70 L107 F108 I122A54-A68 WeakPolarHBondContact CA-O 3.42Å; V55-A68 PolarHBondContact N-O 2.81Å; V55-A68 PolarHBondContact O-N 2.81Å; A68-F70 HydrophobicContact CB-CE2 3.63Å; A68-F70 HydrophobicContact CB-CZ 3.67Å; A68-L107 WeakPolarHBondContact CA-O 3.34Å; A68-F108 HydrophobicContact CB-CD2 4.1Å; A68-I122 HydrophobicContact CB-CD1 4.4Å; A68-I122 HydrophobicContact CB-CG2 3.69Å
69T96.8Very high91.4Very high0 Ų035.6 Ų35.60%017%0.169CC..EExtended strand (participates in β ladder)trans-120.6135.2179.3-50.10000111.5L47 L48 A51 A54 Q67 L71 H106 L107L47-T69 HydrophobicContact CD1-CG2 4.35Å; L47-T69 HydrophobicContact CD2-CG2 4.35Å; L47-T69 HydrophobicContact CG-CG2 3.97Å; L48-T69 HydrophobicContact CD2-CG2 4.45Å; A51-T69 HydrophobicContact CB-CG2 3.43Å; A51-T69 VanDerWaalsContact CB-CG2 3.43Å; A54-T69 HydrophobicContact CB-CG2 4.29Å; Q67-T69 PolarHBondContact NE2-OG1 2.8Å; T69-L71 HydrophobicContact CG2-CD1 3.92Å; T69-H106 PolarHBondContact O-N 2.94Å; T69-L107 PolarHBondContact N-O 3.16Å
70F96.4Very high91.2Very high0 Ų041.9 Ų41.90%020%0.196CC..EExtended strand (participates in β ladder)trans-127.1134.8-174.8-53.8-88.4000112.2N52 L53 A68 L103 F104 M105 I122 V126 I136N52-F70 PolarHBondContact N-O 3.43Å; N52-F70 VanDerWaalsContact N-O 3.08Å; L53-F70 HydrophobicContact CB-CB 4.45Å; L53-F70 PolarHBondContact N-O 3.49Å; L53-F70 PolarHBondContact O-N 3.45Å; A68-F70 HydrophobicContact CB-CE2 3.63Å; A68-F70 HydrophobicContact CB-CZ 3.67Å; F70-L103 HydrophobicContact CB-CB 4.46Å; F70-L103 HydrophobicContact CB-CD1 4.28Å; F70-F104 VanDerWaalsContact CA-O 3.26Å; F70-F104 WeakPolarHBondContact CA-O 3.44Å; F70-M105 HydrophobicContact CD1-CB 4.22Å; F70-M105 HydrophobicContact CE1-CB 4.08Å; F70-M105 HydrophobicContact CE1-CE 3.67Å; F70-M105 HydrophobicContact CE1-CG 4.22Å; F70-M105 HydrophobicContact CZ-CE 3.91Å; F70-I122 HydrophobicContact CE2-CG2 4.19Å; F70-I122 HydrophobicContact CZ-CG2 4.12Å; F70-V126 HydrophobicContact CD2-CG2 3.94Å; F70-V126 HydrophobicContact CE2-CG2 3.38Å; F70-V126 HydrophobicContact CZ-CG2 3.73Å; F70-I136 HydrophobicContact CD1-CG2 4.2Å; F70-I136 HydrophobicContact CE1-CD1 4.23Å; F70-I136 HydrophobicContact CE1-CG2 3.96Å
71L95.1Very high91.2Very high0 Ų038.8 Ų38.80%018%0.178CC..EExtended strand (participates in β ladder)trans-129.1166.1177.2-76.284.1000110.9L47 A51 N52 T69 Y73 F104 H106L47-L71 HydrophobicContact CD1-CD1 3.72Å; A51-L71 HydrophobicContact CB-CD1 4.26Å; N52-L71 VanDerWaalsContact OD1-CA 3.32Å; N52-L71 WeakPolarHBondContact OD1-CA 3.35Å; T69-L71 HydrophobicContact CG2-CD1 3.92Å; L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 HydrophobicContact CB-CD1 4.5Å; L71-Y73 HydrophobicContact CB-CE1 4.35Å; L71-Y73 HydrophobicContact CD2-CD1 4.48Å; L71-Y73 HydrophobicContact CD2-CE1 3.57Å; L71-Y73 HydrophobicContact CD2-CE2 4.18Å; L71-Y73 WeakPolarHBondContact CD2-OH 3.49Å; L71-F104 PolarHBondContact N-O 3.02Å; L71-F104 PolarHBondContact O-N 3.09Å; L71-H106 HydrophobicContact CD1-CB 3.93Å
72D93.6Very high91.2Very high1 Ų133.6 Ų33.61%0.00516%0.158CC..SBendtrans-91.612.6-178.559.915.7000115.1N52 W84 L103 K576 R654N52-D72 PolarHBondContact ND2-OD2 3.39Å; N52-D72 VanDerWaalsContact OD1-CG 3.31Å; N52-D72 PolarHBondContact OD1-N 3.42Å; N52-D72 PolarHBondContact OD1-OD2 3.31Å; D72-W84 PolarHBondContact O-NE1 3.29Å; D72-W84 VanDerWaalsContact O-NE1 3.07Å; D72-L103 HydrophobicContact CB-CD2 4.29Å; D72-K576 WeakPolarHBondContact OD2-CE 3.37Å; D72-K576 WeakPolarHBondContact OD2-CG 3.21Å; D72-R654 IonicContact OD1-CZ 2.95Å; D72-R654 IonicContact OD1-NH1 3.56Å; D72-R654 PolarHBondContact OD1-NH1 3.25Å; D72-R654 IonicContact OD2-NH1 2.9Å
73Y93.1Very high91.2Very high53 Ų5332.9 Ų32.921%0.20816%0.158CC..SBendtrans-142.1159.7173.261.7-95.4000111.3L71 Q81 F104 H106 R654L71-Y73 VanDerWaalsContact C-N 3.33Å; L71-Y73 HydrophobicContact CB-CD1 4.5Å; L71-Y73 HydrophobicContact CB-CE1 4.35Å; L71-Y73 HydrophobicContact CD2-CD1 4.48Å; L71-Y73 HydrophobicContact CD2-CE1 3.57Å; L71-Y73 HydrophobicContact CD2-CE2 4.18Å; L71-Y73 WeakPolarHBondContact CD2-OH 3.49Å; Y73-Q81 HydrophobicContact CD1-CB 4.16Å; Y73-Q81 HydrophobicContact CG-CB 3.89Å; Y73-F104 VanDerWaalsContact O-CB 3.27Å; Y73-F104 WeakPolarHBondContact O-CB 3.39Å; Y73-F104 WeakPolarHBondContact O-CD2 3.16Å; Y73-F104 WeakPolarHBondContact O-CG 3.31Å; Y73-H106 AromaticContact CE2-CE1 3.73Å; Y73-H106 PolarHBondContact O-NE2 2.84Å; Y73-R654 VanDerWaalsContact CE1-NH1 3.35Å
74P92.6Very high91.2Very high6 Ų627.9 Ų27.94%0.03913%0.134CC..  trans-49.4142.4178.2-35.340.9000116.2W76 V78 A79 W84 F88 F104 I139P74-W76 VanDerWaalsContact C-N 3.31Å; P74-W76 WeakPolarHBondContact CB-O 3.1Å; P74-W76 PolarHBondContact O-N 2.88Å; P74-V78 HydrophobicContact CB-CG2 3.87Å; P74-V78 HydrophobicContact CG-CG2 4.18Å; P74-A79 HydrophobicContact CG-CB 4.46Å; P74-W84 HydrophobicContact CG-CB 4.07Å; P74-F88 HydrophobicContact CG-CE2 3.93Å; P74-F88 HydrophobicContact CG-CZ 4.28Å; P74-F104 HydrophobicContact CB-CD1 4.42Å; P74-F104 HydrophobicContact CB-CE1 4.43Å; P74-F104 HydrophobicContact CG-CD1 4.25Å; P74-F104 HydrophobicContact CG-CE1 3.81Å; P74-F104 HydrophobicContact CG-CZ 3.96Å; P74-I139 HydrophobicContact CB-CD1 3.5Å; P74-I139 VanDerWaalsContact CB-CD1 3.5Å; P74-I139 HydrophobicContact CG-CD1 4.08Å
75N89.4Confident91.1Very high26 Ų2627.8 Ų27.814%0.13914%0.135CC..SBendtrans-74-20.1176.560.9-58.6000114.3H106 I139N75-H106 WeakPolarHBondContact CA-CE1 3.47Å; N75-H106 WeakPolarHBondContact CA-NE2 3.44Å; N75-H106 HydrophobicContact CB-CB 4.22Å; N75-H106 PolarHBondContact N-NE2 2.62Å; N75-I139 PolarHBondContact ND2-O 2.98Å; N75-I139 WeakPolarHBondContact OD1-CB 3.32Å; N75-I139 PolarHBondContact OD1-N 3.42Å
76W87.3Confident90.8Very high60 Ų6028.9 Ų28.923%0.22715%0.145CC..SBendtrans-116.6157.8172.4-67.3104.3000110.2L38 P74 V78 I139 P141 F169L38-W76 WeakPolarHBondContact O-CZ2 3.44Å; L38-W76 PolarHBondContact O-NE1 3.09Å; P74-W76 VanDerWaalsContact C-N 3.31Å; P74-W76 WeakPolarHBondContact CB-O 3.1Å; P74-W76 PolarHBondContact O-N 2.88Å; W76-V78 HydrophobicContact CB-CG1 4.28Å; W76-V78 PolarHBondContact O-N 2.9Å; W76-I139 HydrophobicContact CB-CG2 4.4Å; W76-I139 PolarHBondContact NE1-O 3.09Å; W76-P141 HydrophobicContact CZ2-CG 4.43Å; W76-F169 HydrophobicContact CB-CD1 4.08Å; W76-F169 HydrophobicContact CB-CE1 3.89Å; W76-F169 HydrophobicContact CB-CZ 4.47Å; W76-F169 AromaticContact CD1-CD1 3.82Å; W76-F169 AromaticContact CD1-CE1 3.7Å; W76-F169 HydrophobicContact CD2-CD1 4.37Å; W76-F169 AromaticContact CD2-CE1 3.52Å; W76-F169 HydrophobicContact CD2-CE1 3.52Å; W76-F169 HydrophobicContact CD2-CZ 4.16Å; W76-F169 AromaticContact CE2-CE1 3.86Å; W76-F169 HydrophobicContact CE3-CE1 4.03Å; W76-F169 HydrophobicContact CE3-CZ 4.21Å; W76-F169 AromaticContact CG-CD1 3.83Å; W76-F169 HydrophobicContact CG-CD1 3.83Å; W76-F169 AromaticContact CG-CE1 3.43Å; W76-F169 HydrophobicContact CG-CE1 3.43Å; W76-F169 VanDerWaalsContact CG-CE1 3.43Å; W76-F169 HydrophobicContact CG-CZ 4.27Å; W76-F169 AromaticContact NE1-CE1 3.94Å
77N84.3Confident90.3Very high73 Ų7330.6 Ų30.639%0.3916%0.155SC..THydrogen-bonded Turntrans-76.855.8-178.9-163.823.6000112.3C162 L163 T164N77-C162 PolarHBondContact O-SG 3.23Å; N77-L163 WeakPolarHBondContact O-CB 3.37Å; N77-L163 PolarHBondContact O-N 2.82Å; N77-T164 WeakPolarHBondContact ND2-CG2 3.28Å
78V85.6Confident89.8Confident2 Ų230.9 Ų30.91%0.01216%0.156CC..THydrogen-bonded Turntrans-88.8-24.4175-61.80000111.9P74 W76 F88 I139 I160 F169P74-V78 HydrophobicContact CB-CG2 3.87Å; P74-V78 HydrophobicContact CG-CG2 4.18Å; W76-V78 HydrophobicContact CB-CG1 4.28Å; W76-V78 PolarHBondContact O-N 2.9Å; V78-F88 HydrophobicContact CG2-CZ 4.3Å; V78-I139 HydrophobicContact CG1-CG2 4.09Å; V78-I139 HydrophobicContact CG2-CD1 3.85Å; V78-I139 HydrophobicContact CG2-CG2 4.49Å; V78-I160 HydrophobicContact CB-CG2 4.17Å; V78-F169 HydrophobicContact CG1-CB 3.93Å; V78-F169 HydrophobicContact CG1-CD2 4.13Å; V78-F169 HydrophobicContact CG1-CG 3.96Å
79A87.1Confident89.2Confident9 Ų937.1 Ų37.17%0.07418%0.18CC..SBendtrans-150152174.300000110P74 W84 V87P74-A79 HydrophobicContact CG-CB 4.46Å; A79-W84 HydrophobicContact CB-CB 3.73Å; A79-V87 HydrophobicContact CB-CB 4.3Å; A79-V87 HydrophobicContact CB-CG2 3.88Å
80K86.4Confident88.7Confident137 Ų13744.8 Ų44.860%0.59622%0.216SC*.  trans-68.7149171.8-64.5-175177179.80110.3D82 N83 W84 L163K80-D82 WeakPolarHBondContact CB-OD1 3.37Å; K80-D82 PolarHBondContact O-N 3.16Å; K80-D82 VanDerWaalsContact O-N 3.15Å; K80-N83 PolarHBondContact O-N 3.2Å; K80-W84 PolarHBondContact O-N 3.41Å; K80-L163 HydrophobicContact CG-CD1 4.42Å
81Q88.1Confident88.1Confident32 Ų3247.3 Ų47.315%0.1523%0.229CC..THydrogen-bonded Turntrans-61.5-26.7-175.869.8171-7.600113.7Y73 R580 F583Y73-Q81 HydrophobicContact CD1-CB 4.16Å; Y73-Q81 HydrophobicContact CG-CB 3.89Å; Q81-R580 HydrophobicContact CB-CG 4.5Å; Q81-R580 PolarHBondContact NE2-O 2.92Å; Q81-R580 WeakPolarHBondContact O-CD 3.42Å; Q81-R580 WeakPolarHBondContact O-CG 3.43Å; Q81-R580 PolarHBondContact O-NH1 2.95Å; Q81-F583 HydrophobicContact CG-CD1 4.11Å; Q81-F583 HydrophobicContact CG-CE1 3.57Å; Q81-F583 HydrophobicContact CG-CZ 3.87Å
82D86.6Confident87.4Confident52 Ų5249.6 Ų49.628%0.27824%0.241SC..THydrogen-bonded Turntrans-82.2-28.6-178.858.9-29.1000113K80 R580 L581 F583K80-D82 WeakPolarHBondContact CB-OD1 3.37Å; K80-D82 PolarHBondContact O-N 3.16Å; K80-D82 VanDerWaalsContact O-N 3.15Å; D82-R580 VanDerWaalsContact CA-NH1 3.28Å; D82-R580 PolarHBondContact O-NH1 2.65Å; D82-L581 HydrophobicContact CB-CD2 4.16Å; D82-F583 HydrophobicContact CB-CE2 3.89Å; D82-F583 HydrophobicContact CB-CZ 3.98Å
83N87.4Confident86.7Confident93 Ų9354.3 Ų54.350%0.49727%0.274SS..SBendtrans-129.132.1-171.3-165.841.8000114.5K80 V85 S86K80-N83 PolarHBondContact O-N 3.2Å; N83-V85 VanDerWaalsContact C-N 3.31Å; N83-V85 PolarHBondContact O-N 2.6Å; N83-S86 PolarHBondContact ND2-OG 3.36Å; N83-S86 PolarHBondContact O-OG 3.05Å; N83-S86 PolarHBondContact OD1-OG 2.93Å
84W91.1Very high86.1Confident0 Ų058.4 Ų58.40%030%0.299CS..Hα-helixtrans-68.5-31.3178.565.5-104.8000112.8D72 P74 A79 K80 S86 V87 F88 C97 P99 T102 F104D72-W84 PolarHBondContact O-NE1 3.29Å; D72-W84 VanDerWaalsContact O-NE1 3.07Å; P74-W84 HydrophobicContact CG-CB 4.07Å; A79-W84 HydrophobicContact CB-CB 3.73Å; K80-W84 PolarHBondContact O-N 3.41Å; W84-S86 VanDerWaalsContact C-N 3.3Å; W84-S86 PolarHBondContact O-N 2.83Å; W84-V87 PolarHBondContact O-N 3.05Å; W84-V87 VanDerWaalsContact O-N 3.1Å; W84-F88 HydrophobicContact CB-CD2 4.38Å; W84-F88 HydrophobicContact CB-CE2 4.32Å; W84-F88 AromaticContact CE3-CD2 3.82Å; W84-F88 HydrophobicContact CE3-CD2 3.82Å; W84-F88 HydrophobicContact CE3-CE2 4.43Å; W84-F88 HydrophobicContact CE3-CG 4.48Å; W84-F88 VanDerWaalsContact O-CD2 3.31Å; W84-F88 WeakPolarHBondContact O-CD2 3.42Å; W84-F88 PolarHBondContact O-N 3.34Å; W84-C97 HydrophobicContact CZ3-CB 4.36Å; W84-P99 HydrophobicContact CZ2-CB 4.38Å; W84-P99 HydrophobicContact CZ2-CG 4.26Å; W84-T102 HydrophobicContact CH2-CG2 3.88Å; W84-T102 HydrophobicContact CZ3-CG2 4.37Å; W84-F104 HydrophobicContact CD2-CE2 4.05Å; W84-F104 AromaticContact CD2-CZ 3.86Å; W84-F104 HydrophobicContact CD2-CZ 3.86Å; W84-F104 AromaticContact CE2-CE2 3.83Å; W84-F104 HydrophobicContact CE3-CE2 4.36Å; W84-F104 AromaticContact CE3-CZ 3.82Å; W84-F104 HydrophobicContact CE3-CZ 3.82Å; W84-F104 HydrophobicContact CG-CZ 4.41Å; W84-F104 HydrophobicContact CH2-CE2 4.34Å; W84-F104 HydrophobicContact CH2-CZ 4.35Å; W84-F104 AromaticContact CZ2-CE2 3.97Å; W84-F104 HydrophobicContact CZ2-CE2 3.97Å; W84-F104 HydrophobicContact CZ2-CZ 4.34Å; W84-F104 HydrophobicContact CZ3-CZ 4.08Å
85V89.6Confident85.6Confident22 Ų2259.1 Ų59.113%0.13330%0.303CS..Hα-helixtrans-57.5-39.3-173.5-177.90000112.7N83 V87 F88 R89 P99N83-V85 VanDerWaalsContact C-N 3.31Å; N83-V85 PolarHBondContact O-N 2.6Å; V85-V87 PolarHBondContact O-N 3.38Å; V85-F88 PolarHBondContact O-N 3.38Å; V85-R89 HydrophobicContact CG1-CG 4.43Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 3.02Å; V85-R89 VanDerWaalsContact O-N 3.08Å; V85-P99 HydrophobicContact CG2-CG 3.83Å
86S86.8Confident85.5Confident41 Ų4162 Ų6229%0.28732%0.323SS..Hα-helixtrans-63.5-43.2179.463.90000111.7N83 W84 F88 R89 E90N83-S86 PolarHBondContact ND2-OG 3.36Å; N83-S86 PolarHBondContact O-OG 3.05Å; N83-S86 PolarHBondContact OD1-OG 2.93Å; W84-S86 VanDerWaalsContact C-N 3.3Å; W84-S86 PolarHBondContact O-N 2.83Å; S86-F88 VanDerWaalsContact C-N 3.35Å; S86-F88 PolarHBondContact O-N 3.11Å; S86-R89 PolarHBondContact O-N 3.45Å; S86-E90 WeakPolarHBondContact O-CG 3.39Å; S86-E90 PolarHBondContact O-N 3.16Å
87V85.7Confident85.6Confident36 Ų3659.2 Ų59.222%0.21831%0.312CS..Hα-helixtrans-62.9-41.8-178.1-173.20000111.2A79 W84 V85 E90 L91 I160A79-V87 HydrophobicContact CB-CB 4.3Å; A79-V87 HydrophobicContact CB-CG2 3.88Å; W84-V87 PolarHBondContact O-N 3.05Å; W84-V87 VanDerWaalsContact O-N 3.1Å; V85-V87 PolarHBondContact O-N 3.38Å; V87-E90 PolarHBondContact O-N 3.03Å; V87-L91 PolarHBondContact O-N 3.01Å; V87-I160 HydrophobicContact CG1-CD1 4.12Å; V87-I160 HydrophobicContact CG1-CG2 3.88Å
88F87.3Confident85.9Confident5 Ų557.6 Ų57.62%0.02231%0.305CS..Hα-helixtrans-78.3-26-179.6-73.1-87.6000113.4P74 V78 W84 V85 S86 L91 D92 F104 F137 I139 I160 V171P74-F88 HydrophobicContact CG-CE2 3.93Å; P74-F88 HydrophobicContact CG-CZ 4.28Å; V78-F88 HydrophobicContact CG2-CZ 4.3Å; W84-F88 HydrophobicContact CB-CD2 4.38Å; W84-F88 HydrophobicContact CB-CE2 4.32Å; W84-F88 AromaticContact CE3-CD2 3.82Å; W84-F88 HydrophobicContact CE3-CD2 3.82Å; W84-F88 HydrophobicContact CE3-CE2 4.43Å; W84-F88 HydrophobicContact CE3-CG 4.48Å; W84-F88 VanDerWaalsContact O-CD2 3.31Å; W84-F88 WeakPolarHBondContact O-CD2 3.42Å; W84-F88 PolarHBondContact O-N 3.34Å; V85-F88 PolarHBondContact O-N 3.38Å; S86-F88 VanDerWaalsContact C-N 3.35Å; S86-F88 PolarHBondContact O-N 3.11Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 3.46Å; F88-D92 PolarHBondContact O-N 3.34Å; F88-F104 HydrophobicContact CE2-CE1 4.17Å; F88-F104 HydrophobicContact CE2-CZ 4.34Å; F88-F104 AromaticContact CZ-CE1 3.96Å; F88-F104 HydrophobicContact CZ-CE1 3.96Å; F88-F137 HydrophobicContact CB-CE2 4.3Å; F88-F137 AromaticContact CD1-CD2 3.69Å; F88-F137 HydrophobicContact CD1-CD2 3.69Å; F88-F137 AromaticContact CD1-CE2 3.36Å; F88-F137 HydrophobicContact CD1-CE2 3.36Å; F88-F137 AromaticContact CE1-CD2 3.61Å; F88-F137 HydrophobicContact CE1-CD2 3.61Å; F88-F137 AromaticContact CE1-CE2 3.82Å; F88-F137 HydrophobicContact CE1-CE2 3.82Å; F88-F137 HydrophobicContact CG-CD2 4.41Å; F88-F137 AromaticContact CG-CE2 3.94Å; F88-F137 HydrophobicContact CG-CE2 3.94Å; F88-F137 HydrophobicContact CZ-CD2 4.34Å; F88-I139 HydrophobicContact CZ-CD1 3.8Å; F88-I139 HydrophobicContact CZ-CG1 4.37Å; F88-I160 HydrophobicContact CD1-CD1 3.9Å; F88-I160 HydrophobicContact CE1-CD1 3.67Å; F88-I160 HydrophobicContact CE2-CD1 4.48Å; F88-I160 HydrophobicContact CG-CD1 4.45Å; F88-I160 HydrophobicContact CZ-CD1 3.98Å; F88-V171 HydrophobicContact CD1-CG1 4.12Å; F88-V171 HydrophobicContact CE1-CB 4.39Å; F88-V171 HydrophobicContact CE1-CG1 3.66Å; F88-V171 HydrophobicContact CE1-CG2 3.77Å
89R84.1Confident86.3Confident132 Ų13258.2 Ų58.250%0.49831%0.309SS..Hα-helixtrans-72.7-30.6170-74.2-176.5-168.7172.13.5113V85 S86 L91 D92 S93V85-R89 HydrophobicContact CG1-CG 4.43Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 3.02Å; V85-R89 VanDerWaalsContact O-N 3.08Å; S86-R89 PolarHBondContact O-N 3.45Å; R89-L91 VanDerWaalsContact C-N 3.31Å; R89-D92 CarbonylContact O-C 3.23Å; R89-S93 WeakPolarHBondContact O-CA 3.3Å; R89-S93 PolarHBondContact O-N 3.38Å
90E84.6Confident86.5Confident161 Ų16158.7 Ų58.775%0.75231%0.31SS*.Hα-helixtrans-69.1-32.5171.8-74.8172.1-163.400111.7S86 V87S86-E90 WeakPolarHBondContact O-CG 3.39Å; S86-E90 PolarHBondContact O-N 3.16Å; V87-E90 PolarHBondContact O-N 3.03Å
91L83.8Confident86.7Confident52 Ų5253 Ų5327%0.27229%0.287SS..Hα-helixtrans-65.8-49.3174.4-175.473.4000111.5V87 F88 R89 V157 I160 V171V87-L91 PolarHBondContact O-N 3.01Å; F88-L91 WeakPolarHBondContact O-CB 3.36Å; F88-L91 PolarHBondContact O-N 3.46Å; R89-L91 VanDerWaalsContact C-N 3.31Å; L91-V157 HydrophobicContact CD2-CG1 4.12Å; L91-I160 HydrophobicContact CD1-CG1 3.97Å; L91-I160 HydrophobicContact CD2-CD1 4.1Å; L91-I160 HydrophobicContact CD2-CG1 4.23Å; L91-V171 HydrophobicContact CD2-CB 3.97Å; L91-V171 HydrophobicContact CD2-CG1 4.17Å; L91-V171 HydrophobicContact CD2-CG2 4.02Å
92D81.3Confident87Confident49 Ų4951.5 Ų51.526%0.26228%0.28SS..  trans-149.9110.1178.1-169.3-18.1000110.2F88 R89 D94 I95 V157F88-D92 PolarHBondContact O-N 3.34Å; R89-D92 CarbonylContact O-C 3.23Å; D92-D94 PolarHBondContact O-N 2.9Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 3.23Å; D92-I95 HydrophobicContact CB-CD1 3.82Å; D92-I95 HydrophobicContact CB-CG1 3.96Å; D92-I95 PolarHBondContact O-N 2.87Å; D92-I95 WeakPolarHBondContact OD2-CD1 3.45Å; D92-V157 HydrophobicContact CB-CG1 4.07Å
93S77.9Confident87.5Confident99 Ų9949.1 Ų49.169%0.69227%0.267SS*.THydrogen-bonded Turntrans-69.9-20.4-179.955.90000113.2R89 I95R89-S93 WeakPolarHBondContact O-CA 3.3Å; R89-S93 PolarHBondContact O-N 3.38Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.98Å
94D80.8Confident87.9Confident140 Ų14044.7 Ų44.775%0.74924%0.243SC*.THydrogen-bonded Turntrans-82.6-7.8-176.1-63.9-20.2000112D92 P96D92-D94 PolarHBondContact O-N 2.9Å; D92-D94 WeakPolarHBondContact OD1-CB 3.35Å; D92-D94 PolarHBondContact OD1-N 3.23Å; D94-P96 WeakPolarHBondContact O-CD 3.31Å
95I83.6Confident88.2Confident21 Ų2144.7 Ų44.711%0.10824%0.243CC..  trans-96104.1177.1-54.7-178.6000109.4D92 S93 C97 F135 F137 V157 I173D92-I95 HydrophobicContact CB-CD1 3.82Å; D92-I95 HydrophobicContact CB-CG1 3.96Å; D92-I95 PolarHBondContact O-N 2.87Å; D92-I95 WeakPolarHBondContact OD2-CD1 3.45Å; S93-I95 VanDerWaalsContact C-N 3.26Å; S93-I95 PolarHBondContact O-N 2.98Å; I95-C97 HydrophobicContact CG2-CB 4.26Å; I95-C97 PolarHBondContact O-N 3.1Å; I95-F135 HydrophobicContact CG2-CE1 4.16Å; I95-F135 HydrophobicContact CG2-CZ 4.15Å; I95-F137 HydrophobicContact CG2-CZ 4.35Å; I95-V157 HydrophobicContact CD1-CG1 3.79Å; I95-V157 HydrophobicContact CD1-CG2 4.24Å; I95-I173 HydrophobicContact CD1-CD1 3.48Å; I95-I173 VanDerWaalsContact CD1-CD1 3.48Å; I95-I173 HydrophobicContact CG2-CD1 4.3Å
96P86.4Confident88.4Confident86 Ų8644.2 Ų44.256%0.55824%0.239SC*.  trans-78.257.9-17834.9-38.6000111.5D94 N101 F135D94-P96 WeakPolarHBondContact O-CD 3.31Å; P96-N101 PolarHBondContact O-ND2 3.38Å; P96-F135 HydrophobicContact CG-CZ 4.29Å
97C89.1Confident88.8Confident1 Ų142.3 Ų42.31%0.00723%0.226CC..  trans-73.5139.8177.463.50000111.2W84 I95 F137W84-C97 HydrophobicContact CZ3-CB 4.36Å; I95-C97 HydrophobicContact CG2-CB 4.26Å; I95-C97 PolarHBondContact O-N 3.1Å; C97-F137 HydrophobicContact CB-CZ 4.12Å
98T91.8Very high89.3Confident39 Ų3941.4 Ų41.424%0.23922%0.219CC..  trans-145.8161.1-179.366.90000109.5L100 N101 T102T98-L100 PolarHBondContact O-N 3.42Å; T98-L100 VanDerWaalsContact O-N 3.15Å; T98-L100 PolarHBondContact OG1-N 2.69Å; T98-N101 WeakPolarHBondContact CA-OD1 3.48Å; T98-N101 PolarHBondContact N-OD1 2.9Å; T98-N101 PolarHBondContact O-N 3.36Å; T98-N101 PolarHBondContact O-OD1 3.12Å; T98-N101 VanDerWaalsContact O-OD1 3.05Å; T98-N101 PolarHBondContact OG1-N 3.1Å; T98-N101 PolarHBondContact OG1-OD1 3.07Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 2.69Å; T98-T102 VanDerWaalsContact O-N 3.17Å; T98-T102 PolarHBondContact O-OG1 2.94Å
99P92Very high89.6Confident16 Ų1641.3 Ų41.310%0.10422%0.219CC..THydrogen-bonded Turntrans-62.5-20.2174.6-22.635000114.5W84 V85 F573 K576 E577W84-P99 HydrophobicContact CZ2-CB 4.38Å; W84-P99 HydrophobicContact CZ2-CG 4.26Å; V85-P99 HydrophobicContact CG2-CG 3.83Å; P99-F573 VanDerWaalsContact C-CE2 3.46Å; P99-F573 HydrophobicContact CB-CE2 3.98Å; P99-F573 HydrophobicContact CB-CZ 4.2Å; P99-K576 PolarHBondContact O-NZ 3.17Å; P99-E577 VanDerWaalsContact CB-CD 3.47Å; P99-E577 WeakPolarHBondContact CB-OE1 3.31Å
100L91.6Very high90.1Very high18 Ų1835.5 Ų35.59%0.09420%0.2CC..THydrogen-bonded Turntrans-74-44.1176.3178.764.5000111.6T98 E132 I464 Y570 F573T98-L100 PolarHBondContact O-N 3.42Å; T98-L100 VanDerWaalsContact O-N 3.15Å; T98-L100 PolarHBondContact OG1-N 2.69Å; L100-E132 HydrophobicContact CD1-CB 3.98Å; L100-E132 HydrophobicContact CD1-CG 4.07Å; L100-E132 HydrophobicContact CG-CB 4.04Å; L100-E132 HydrophobicContact CG-CG 4.49Å; L100-I464 HydrophobicContact CD2-CG2 4.21Å; L100-Y570 HydrophobicContact CD1-CD1 4.09Å; L100-Y570 HydrophobicContact CD1-CE1 3.99Å; L100-Y570 HydrophobicContact CD2-CD1 4.41Å; L100-Y570 HydrophobicContact CD2-CE1 3.67Å; L100-Y570 HydrophobicContact CG-CE1 4.5Å; L100-F573 VanDerWaalsContact CA-CE2 3.42Å; L100-F573 HydrophobicContact CB-CD1 4.45Å; L100-F573 HydrophobicContact CB-CD2 4.13Å; L100-F573 HydrophobicContact CB-CE1 4.07Å; L100-F573 HydrophobicContact CB-CE2 3.76Å; L100-F573 HydrophobicContact CB-CG 4.48Å; L100-F573 HydrophobicContact CB-CZ 3.73Å; L100-F573 HydrophobicContact CD1-CB 3.89Å; L100-F573 HydrophobicContact CD1-CD1 3.86Å; L100-F573 HydrophobicContact CD1-CD2 3.74Å; L100-F573 HydrophobicContact CD1-CE1 4.33Å; L100-F573 HydrophobicContact CD1-CE2 4.26Å; L100-F573 HydrophobicContact CD1-CG 3.53Å; L100-F573 VanDerWaalsContact N-CE2 3.32Å
101N92.3Very high90.4Very high18 Ų1829.9 Ų29.910%0.09618%0.176CC..THydrogen-bonded Turntrans-107.29-168.272.8-3.6000114.9P96 T98 E132 H134 F135P96-N101 PolarHBondContact O-ND2 3.38Å; T98-N101 WeakPolarHBondContact CA-OD1 3.48Å; T98-N101 PolarHBondContact N-OD1 2.9Å; T98-N101 PolarHBondContact O-N 3.36Å; T98-N101 PolarHBondContact O-OD1 3.12Å; T98-N101 VanDerWaalsContact O-OD1 3.05Å; T98-N101 PolarHBondContact OG1-N 3.1Å; T98-N101 PolarHBondContact OG1-OD1 3.07Å; N101-E132 WeakPolarHBondContact CA-O 3.34Å; N101-E132 VanDerWaalsContact CB-O 3.25Å; N101-E132 WeakPolarHBondContact CB-O 3.39Å; N101-H134 HydrophobicContact CB-CB 4.1Å; N101-H134 PolarHBondContact O-N 2.98Å; N101-F135 PolarHBondContact O-N 3Å
102T94.3Very high90.5Very high1 Ų131.8 Ų31.81%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-128.8138.5-178.3-57.60000112.5W84 T98 F104 F135 F137W84-T102 HydrophobicContact CH2-CG2 3.88Å; W84-T102 HydrophobicContact CZ3-CG2 4.37Å; T98-T102 WeakPolarHBondContact O-CB 3.38Å; T98-T102 PolarHBondContact O-N 2.69Å; T98-T102 VanDerWaalsContact O-N 3.17Å; T98-T102 PolarHBondContact O-OG1 2.94Å; T102-F104 HydrophobicContact CG2-CE2 4.08Å; T102-F104 HydrophobicContact CG2-CZ 4.16Å; T102-F135 WeakPolarHBondContact CA-O 3.32Å; T102-F137 HydrophobicContact CG2-CD1 3.79Å; T102-F137 HydrophobicContact CG2-CE1 4.07Å; T102-F137 HydrophobicContact CG2-CG 4.12Å
103L95.9Very high90.8Very high2 Ų232.7 Ų32.71%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-130.9160.8165.5-72175.7000109.8F70 D72 L133 F135 I136 F137 L658F70-L103 HydrophobicContact CB-CB 4.46Å; F70-L103 HydrophobicContact CB-CD1 4.28Å; D72-L103 HydrophobicContact CB-CD2 4.29Å; L103-L133 HydrophobicContact CB-CD1 3.89Å; L103-L133 HydrophobicContact CD1-CD1 3.99Å; L103-L133 HydrophobicContact CD1-CD2 4.01Å; L103-L133 HydrophobicContact CG-CD1 3.65Å; L103-F135 PolarHBondContact N-O 3.3Å; L103-I136 CarbonylContact O-C 3.56Å; L103-I136 WeakPolarHBondContact O-CA 3.21Å; L103-F137 PolarHBondContact O-N 3.44Å; L103-L658 HydrophobicContact CD1-CD1 4.35Å
104F96.2Very high91.3Very high0 Ų028.5 Ų28.50%016%0.158CC..EExtended strand (participates in β ladder)trans-116.4133179.6-62.5-95.1000110F70 L71 Y73 P74 W84 F88 T102 H106 F137 I139F70-F104 VanDerWaalsContact CA-O 3.26Å; F70-F104 WeakPolarHBondContact CA-O 3.44Å; L71-F104 PolarHBondContact N-O 3.02Å; L71-F104 PolarHBondContact O-N 3.09Å; Y73-F104 VanDerWaalsContact O-CB 3.27Å; Y73-F104 WeakPolarHBondContact O-CB 3.39Å; Y73-F104 WeakPolarHBondContact O-CD2 3.16Å; Y73-F104 WeakPolarHBondContact O-CG 3.31Å; P74-F104 HydrophobicContact CB-CD1 4.42Å; P74-F104 HydrophobicContact CB-CE1 4.43Å; P74-F104 HydrophobicContact CG-CD1 4.25Å; P74-F104 HydrophobicContact CG-CE1 3.81Å; P74-F104 HydrophobicContact CG-CZ 3.96Å; W84-F104 HydrophobicContact CD2-CE2 4.05Å; W84-F104 AromaticContact CD2-CZ 3.86Å; W84-F104 HydrophobicContact CD2-CZ 3.86Å; W84-F104 AromaticContact CE2-CE2 3.83Å; W84-F104 HydrophobicContact CE3-CE2 4.36Å; W84-F104 AromaticContact CE3-CZ 3.82Å; W84-F104 HydrophobicContact CE3-CZ 3.82Å; W84-F104 HydrophobicContact CG-CZ 4.41Å; W84-F104 HydrophobicContact CH2-CE2 4.34Å; W84-F104 HydrophobicContact CH2-CZ 4.35Å; W84-F104 AromaticContact CZ2-CE2 3.97Å; W84-F104 HydrophobicContact CZ2-CE2 3.97Å; W84-F104 HydrophobicContact CZ2-CZ 4.34Å; W84-F104 HydrophobicContact CZ3-CZ 4.08Å; F88-F104 HydrophobicContact CE2-CE1 4.17Å; F88-F104 HydrophobicContact CE2-CZ 4.34Å; F88-F104 AromaticContact CZ-CE1 3.96Å; F88-F104 HydrophobicContact CZ-CE1 3.96Å; T102-F104 HydrophobicContact CG2-CE2 4.08Å; T102-F104 HydrophobicContact CG2-CZ 4.16Å; F104-H106 PolarHBondContact O-CD2 2.74Å; F104-H106 PolarHBondContact O-N 3.35Å; F104-F137 CarbonylContact C-O 3.53Å; F104-F137 WeakPolarHBondContact CA-O 3.44Å; F104-F137 HydrophobicContact CD1-CB 3.46Å; F104-F137 VanDerWaalsContact CD1-CB 3.46Å; F104-F137 HydrophobicContact CD1-CG 4.4Å; F104-F137 HydrophobicContact CE1-CB 3.57Å; F104-F137 AromaticContact CE1-CD2 3.85Å; F104-F137 HydrophobicContact CE1-CD2 3.85Å; F104-F137 HydrophobicContact CE1-CG 4.03Å; F104-F137 HydrophobicContact CG-CB 4.29Å; F104-F137 HydrophobicContact CZ-CB 4.46Å; F104-F137 HydrophobicContact CZ-CD2 4.42Å; F104-I139 HydrophobicContact CD1-CD1 3.98Å; F104-I139 HydrophobicContact CE1-CD1 4.11Å
105M96.4Very high91.7Very high0 Ų022.5 Ų22.50%013%0.127CC..EExtended strand (participates in β ladder)trans-80.8116174.1-177.3-179.9-74.700109.8F39 F70 F108 L123 I136 F137 L138 L150 F154F39-M105 HydrophobicContact CE1-CG 4.41Å; F70-M105 HydrophobicContact CD1-CB 4.22Å; F70-M105 HydrophobicContact CE1-CB 4.08Å; F70-M105 HydrophobicContact CE1-CE 3.67Å; F70-M105 HydrophobicContact CE1-CG 4.22Å; F70-M105 HydrophobicContact CZ-CE 3.91Å; M105-F108 HydrophobicContact SD-CB 3.8Å; M105-L123 HydrophobicContact CE-CD2 3.97Å; M105-I136 HydrophobicContact CB-CG2 4.27Å; M105-F137 PolarHBondContact N-O 2.83Å; M105-L138 HydrophobicContact CB-CD1 4.35Å; M105-L150 HydrophobicContact SD-CD2 4.27Å; M105-F154 HydrophobicContact CE-CE2 4Å; M105-F154 HydrophobicContact CE-CZ 3.82Å; M105-F154 HydrophobicContact SD-CE2 4.22Å; M105-F154 HydrophobicContact SD-CZ 4.15Å
106H95.4Very high92Very high11 Ų1123.9 Ų23.95%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-99-21.8-179.4-80.7-130.6000113.4F39 L47 T69 L71 Y73 N75 F104F39-H106 WeakPolarHBondContact CD1-O 3.46Å; L47-H106 HydrophobicContact CD1-CB 3.89Å; L47-H106 HydrophobicContact CD2-CB 4.33Å; T69-H106 PolarHBondContact O-N 2.94Å; L71-H106 HydrophobicContact CD1-CB 3.93Å; Y73-H106 AromaticContact CE2-CE1 3.73Å; Y73-H106 PolarHBondContact O-NE2 2.84Å; N75-H106 WeakPolarHBondContact CA-CE1 3.47Å; N75-H106 WeakPolarHBondContact CA-NE2 3.44Å; N75-H106 HydrophobicContact CB-CB 4.22Å; N75-H106 PolarHBondContact N-NE2 2.62Å; F104-H106 PolarHBondContact O-CD2 2.74Å; F104-H106 PolarHBondContact O-N 3.35Å
107L95.4Very high92.2Very high2 Ų221 Ų211%0.0112%0.122CC..EExtended strand (participates in β ladder)trans-152.4140.2177.3179.863.6000109.5I27 T35 L42 I44 L47 A68 T69 V109I27-L107 HydrophobicContact CG2-CD2 4.27Å; T35-L107 HydrophobicContact CG2-CD1 3.9Å; L42-L107 HydrophobicContact CD1-CB 4.38Å; L42-L107 HydrophobicContact CD1-CD1 4.01Å; I44-L107 HydrophobicContact CD1-CD2 3.66Å; L47-L107 HydrophobicContact CD2-CB 3.85Å; L47-L107 HydrophobicContact CD2-CD2 4.2Å; A68-L107 WeakPolarHBondContact CA-O 3.34Å; T69-L107 PolarHBondContact N-O 3.16Å; L107-V109 HydrophobicContact CD1-CG1 4.03Å; L107-V109 HydrophobicContact CG-CG1 4.5Å
108F95.4Very high92.4Very high17 Ų1720.9 Ų20.98%0.07512%0.121CC..EExtended strand (participates in β ladder)trans-141127163.7176.4-104.7000109.7F39 Q67 A68 M105 A110 C119 I122 T149 L150F39-F108 HydrophobicContact CE2-CB 4.33Å; F39-F108 HydrophobicContact CZ-CB 4.07Å; Q67-F108 WeakPolarHBondContact O-CA 3.39Å; A68-F108 HydrophobicContact CB-CD2 4.1Å; M105-F108 HydrophobicContact SD-CB 3.8Å; F108-A110 HydrophobicContact CE1-CB 4.04Å; F108-A110 HydrophobicContact CE2-CB 4.43Å; F108-A110 HydrophobicContact CZ-CB 3.71Å; F108-C119 HydrophobicContact CE1-CB 4.28Å; F108-C119 HydrophobicContact CE2-CB 3.85Å; F108-C119 HydrophobicContact CZ-CB 3.53Å; F108-I122 HydrophobicContact CE2-CD1 4.25Å; F108-T149 HydrophobicContact CE1-CG2 3.89Å; F108-T149 HydrophobicContact CZ-CG2 4.31Å; F108-L150 HydrophobicContact CD1-CD2 3.85Å; F108-L150 HydrophobicContact CD1-CG 4.38Å; F108-L150 HydrophobicContact CE1-CD2 4.35Å; F108-L150 HydrophobicContact CG-CD2 4.23Å
109V94.4Very high92.4Very high2 Ų219.1 Ų19.11%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-133.8143.6173.1-670000109.7I27 L30 I31 T35 A66 Q67 L107I27-V109 HydrophobicContact CG2-CG2 4.14Å; L30-V109 HydrophobicContact CB-CB 3.85Å; L30-V109 HydrophobicContact CB-CG2 4.05Å; L30-V109 HydrophobicContact CD1-CG2 4.25Å; I31-V109 HydrophobicContact CG1-CG1 3.9Å; T35-V109 HydrophobicContact CG2-CG1 3.82Å; A66-V109 CarbonylContact C-O 3.54Å; A66-V109 WeakPolarHBondContact CA-O 3.2Å; A66-V109 WeakPolarHBondContact CB-O 3.27Å; Q67-V109 HydrophobicContact CB-CG2 3.89Å; Q67-V109 PolarHBondContact N-O 2.79Å; Q67-V109 PolarHBondContact O-N 2.82Å; L107-V109 HydrophobicContact CD1-CG1 4.03Å; L107-V109 HydrophobicContact CG-CG1 4.5Å
110A93.6Very high92.4Very high11 Ų1122 Ų229%0.09112%0.121CC..EExtended strand (participates in β ladder)trans-156.1159.4179.400000111.3M65 A66 F108 C118M65-A110 WeakPolarHBondContact O-CA 3.45Å; A66-A110 HydrophobicContact CB-CB 3.67Å; F108-A110 HydrophobicContact CE1-CB 4.04Å; F108-A110 HydrophobicContact CE2-CB 4.43Å; F108-A110 HydrophobicContact CZ-CB 3.71Å; A110-C118 HydrophobicContact CB-CB 4.42Å
111V91.1Very high92.4Very high42 Ų4222.3 Ų22.326%0.25512%0.122SC..  trans-69.7125.6164.7177.90000109.2L30 M65 E113 Y114 S115L30-V111 HydrophobicContact CD2-CG2 3.83Å; M65-V111 HydrophobicContact CE-CB 3.91Å; M65-V111 HydrophobicContact CE-CG1 4.27Å; M65-V111 HydrophobicContact CE-CG2 3.57Å; M65-V111 PolarHBondContact O-N 2.79Å; V111-E113 PolarHBondContact O-N 2.83Å; V111-E113 VanDerWaalsContact O-N 3.12Å; V111-Y114 PolarHBondContact O-N 3.09Å; V111-Y114 VanDerWaalsContact O-N 3.12Å; V111-S115 PolarHBondContact O-N 2.65Å; V111-S115 VanDerWaalsContact O-N 3.07Å
112D86.3Confident92.5Very high92 Ų9221.5 Ų21.549%0.49212%0.118SC..G310 helixtrans-52.3-39.3-172.2-71.5-19.6000114.4R32 Y114 S115R32-D112 IonicContact CZ-OD1 3.36Å; R32-D112 IonicContact CZ-OD2 3.68Å; R32-D112 IonicContact NE-OD1 3.93Å; R32-D112 IonicContact NH1-OD1 3.5Å; R32-D112 PolarHBondContact NH1-OD1 2.86Å; R32-D112 IonicContact NH1-OD2 3.68Å; R32-D112 PolarHBondContact NH1-OD2 3.37Å; R32-D112 IonicContact NH2-OD1 2.78Å; R32-D112 PolarHBondContact NH2-OD1 2.88Å; R32-D112 VanDerWaalsContact NH2-OD1 3.16Å; R32-D112 IonicContact NH2-OD2 2.8Å; R32-D112 PolarHBondContact NH2-OD2 3.26Å; D112-Y114 PolarHBondContact O-N 3.24Å; D112-S115 PolarHBondContact O-N 3.32Å; D112-S115 PolarHBondContact O-OG 2.9Å
113E86.9Confident92.5Very high69 Ų6921.4 Ų21.432%0.32212%0.118SC..G310 helixtrans-63-28.2-173.8-178.5168.5-164.400112.3S6 P7 V111S6-E113 WeakPolarHBondContact CB-OE1 3.42Å; S6-E113 PolarHBondContact OG-OE1 3.14Å; P7-E113 WeakPolarHBondContact CD-O 3.27Å; V111-E113 PolarHBondContact O-N 2.83Å; V111-E113 VanDerWaalsContact O-N 3.12Å
114Y88.3Confident92.3Very high11 Ų1126 Ų264%0.04314%0.135CC..G310 helixtrans-119.35.9-176.6-61-80.2000113.3L4 K10 E12 M65 V111 D112 V116 G117 C118L4-Y114 HydrophobicContact CB-CD1 4.12Å; K10-Y114 WeakPolarHBondContact CB-OH 3.41Å; K10-Y114 VanDerWaalsContact CD-OH 3.27Å; K10-Y114 WeakPolarHBondContact CD-OH 3.13Å; K10-Y114 VanDerWaalsContact CG-OH 3.26Å; K10-Y114 WeakPolarHBondContact CG-OH 3.21Å; E12-Y114 HydrophobicContact CB-CE1 4.3Å; E12-Y114 HydrophobicContact CG-CE1 3.92Å; E12-Y114 HydrophobicContact CG-CE2 3.94Å; E12-Y114 VanDerWaalsContact CG-CZ 3.46Å; E12-Y114 VanDerWaalsContact CG-OH 3.27Å; E12-Y114 WeakPolarHBondContact CG-OH 3.34Å; M65-Y114 HydrophobicContact SD-CD2 4.42Å; V111-Y114 PolarHBondContact O-N 3.09Å; V111-Y114 VanDerWaalsContact O-N 3.12Å; D112-Y114 PolarHBondContact O-N 3.24Å; Y114-V116 VanDerWaalsContact C-N 3.31Å; Y114-V116 PolarHBondContact O-N 3.46Å; Y114-V116 VanDerWaalsContact O-N 3.1Å; Y114-G117 PolarHBondContact O-N 2.97Å; Y114-C118 PolarHBondContact O-N 2.6Å; Y114-C118 PolarHBondContact O-SG 3Å
115S88.9Confident92Very high14 Ų1427.9 Ų27.910%0.09815%0.146CC..Hα-helixtrans-53.7-40.6-165.665.70000114.5V111 D112 C119 T149V111-S115 PolarHBondContact O-N 2.65Å; V111-S115 VanDerWaalsContact O-N 3.07Å; D112-S115 PolarHBondContact O-N 3.32Å; D112-S115 PolarHBondContact O-OG 2.9Å; S115-C119 VanDerWaalsContact O-CB 3.32Å; S115-C119 WeakPolarHBondContact O-CB 3.48Å; S115-C119 PolarHBondContact O-N 3.39Å; S115-T149 VanDerWaalsContact C-CG2 3.48Å; S115-T149 WeakPolarHBondContact CB-OG1 3.32Å; S115-T149 WeakPolarHBondContact O-CG2 3.36Å; S115-T149 PolarHBondContact OG-OG1 3.34Å
116V90.3Very high91.8Very high50 Ų5027.9 Ų27.930%0.30315%0.146SC..Hα-helixtrans-66.8-46.4177.3177.70000111.5Y114 C119 K120 T149Y114-V116 VanDerWaalsContact C-N 3.31Å; Y114-V116 PolarHBondContact O-N 3.46Å; Y114-V116 VanDerWaalsContact O-N 3.1Å; V116-C119 PolarHBondContact O-N 3.14Å; V116-K120 HydrophobicContact CG1-CD 4.47Å; V116-K120 WeakPolarHBondContact O-CG 3.45Å; V116-K120 PolarHBondContact O-N 3.34Å; V116-K120 VanDerWaalsContact O-N 3.11Å; V116-T149 HydrophobicContact CG2-CG2 4.24Å
117G90.2Very high91.6Very high24 Ų2427.4 Ų27.425%0.24714%0.144CC..Hα-helixtrans-62.2-46.3177.200000111.2Y114 C119 K120 E121Y114-G117 PolarHBondContact O-N 2.97Å; G117-C119 PolarHBondContact O-N 3Å; G117-K120 PolarHBondContact O-N 3.2Å; G117-E121 PolarHBondContact O-N 3.31Å
118C93Very high91.3Very high0 Ų030.8 Ų30.80%016%0.158CC..Hα-helixtrans-59.7-45.3176.7-62.70000112.4L57 A66 A110 Y114 E121 I122L57-C118 HydrophobicContact CD2-CB 3.66Å; L57-C118 VanDerWaalsContact CD2-SG 3.53Å; A66-C118 HydrophobicContact CB-CB 3.5Å; A66-C118 VanDerWaalsContact CB-CB 3.5Å; A110-C118 HydrophobicContact CB-CB 4.42Å; Y114-C118 PolarHBondContact O-N 2.6Å; Y114-C118 PolarHBondContact O-SG 3Å; C118-E121 PolarHBondContact O-N 3.3Å; C118-I122 WeakPolarHBondContact O-CB 3.43Å; C118-I122 WeakPolarHBondContact O-CG1 3.21Å; C118-I122 PolarHBondContact O-N 3.2Å
119C92.8Very high90.9Very high1 Ų132.8 Ų32.81%0.00718%0.178CC..Hα-helixtrans-61.3-47.5179.5-167.10000111.5F108 S115 V116 G117 E121 I122 L123 T149F108-C119 HydrophobicContact CE1-CB 4.28Å; F108-C119 HydrophobicContact CE2-CB 3.85Å; F108-C119 HydrophobicContact CZ-CB 3.53Å; S115-C119 VanDerWaalsContact O-CB 3.32Å; S115-C119 WeakPolarHBondContact O-CB 3.48Å; S115-C119 PolarHBondContact O-N 3.39Å; V116-C119 PolarHBondContact O-N 3.14Å; G117-C119 PolarHBondContact O-N 3Å; C119-E121 VanDerWaalsContact C-N 3.31Å; C119-E121 PolarHBondContact O-N 3.35Å; C119-I122 PolarHBondContact O-N 3.02Å; C119-L123 WeakPolarHBondContact O-CB 3.49Å; C119-L123 VanDerWaalsContact O-CG 3.28Å; C119-L123 WeakPolarHBondContact O-CG 3.37Å; C119-L123 PolarHBondContact O-N 3.03Å; C119-T149 HydrophobicContact CB-CG2 4.09Å
120K91.9Very high90.7Very high77 Ų7733.1 Ų33.134%0.33518%0.18SC..Hα-helixtrans-60.7-40.1178.2-73.8-178.9177.5-175.40112.2V116 G117 R124 V153V116-K120 HydrophobicContact CG1-CD 4.47Å; V116-K120 WeakPolarHBondContact O-CG 3.45Å; V116-K120 PolarHBondContact O-N 3.34Å; V116-K120 VanDerWaalsContact O-N 3.11Å; G117-K120 PolarHBondContact O-N 3.2Å; K120-R124 WeakPolarHBondContact O-CB 3.28Å; K120-R124 VanDerWaalsContact O-CG 3.31Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.11Å; K120-V153 HydrophobicContact CG-CG1 3.8Å
121E92.4Very high90.3Very high24 Ų2434.5 Ų34.511%0.11219%0.188CC..Hα-helixtrans-72.5-39.6-178.8-164.159.8-166.900112.9S2 L57 G117 C118 C119 R124 T125S2-E121 VanDerWaalsContact CB-OE1 3.31Å; S2-E121 WeakPolarHBondContact CB-OE1 3.15Å; S2-E121 PolarHBondContact OG-OE1 3.16Å; L57-E121 HydrophobicContact CD1-CG 4.18Å; G117-E121 PolarHBondContact O-N 3.31Å; C118-E121 PolarHBondContact O-N 3.3Å; C119-E121 VanDerWaalsContact C-N 3.31Å; C119-E121 PolarHBondContact O-N 3.35Å; E121-R124 PolarHBondContact O-N 3.38Å; E121-R124 IonicContact OE2-NH1 3.65Å; E121-R124 PolarHBondContact OE2-NH1 3.08Å; E121-T125 WeakPolarHBondContact O-CB 3.46Å; E121-T125 PolarHBondContact O-N 2.72Å; E121-T125 PolarHBondContact O-OG1 3.49Å
122I94.3Very high90.1Very high1 Ų135.3 Ų35.31%0.00519%0.189CC..Hα-helixtrans-60.8-48.3172.3-73.7172.7000110.4V55 L57 A66 A68 F70 F108 C118 C119 R124 T125 V126V55-I122 HydrophobicContact CB-CG2 4.31Å; V55-I122 HydrophobicContact CG1-CG1 4.4Å; V55-I122 HydrophobicContact CG1-CG2 4.48Å; L57-I122 HydrophobicContact CB-CD1 4.32Å; L57-I122 HydrophobicContact CB-CG1 4.3Å; A66-I122 HydrophobicContact CB-CD1 3.76Å; A68-I122 HydrophobicContact CB-CD1 4.4Å; A68-I122 HydrophobicContact CB-CG2 3.69Å; F70-I122 HydrophobicContact CE2-CG2 4.19Å; F70-I122 HydrophobicContact CZ-CG2 4.12Å; F108-I122 HydrophobicContact CE2-CD1 4.25Å; C118-I122 WeakPolarHBondContact O-CB 3.43Å; C118-I122 WeakPolarHBondContact O-CG1 3.21Å; C118-I122 PolarHBondContact O-N 3.2Å; C119-I122 PolarHBondContact O-N 3.02Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 2.94Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 2.78Å; I122-T125 VanDerWaalsContact O-N 3.12Å; I122-V126 HydrophobicContact CG2-CG2 4.34Å; I122-V126 VanDerWaalsContact O-CG2 3.28Å; I122-V126 WeakPolarHBondContact O-CG2 3.22Å; I122-V126 PolarHBondContact O-N 2.92Å
123L93.6Very high90.4Very high0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-60.7-42.3178.5-69.2168.9000111.5M105 C119 T125 V126 Y127 I136 V153M105-L123 HydrophobicContact CE-CD2 3.97Å; C119-L123 WeakPolarHBondContact O-CB 3.49Å; C119-L123 VanDerWaalsContact O-CG 3.28Å; C119-L123 WeakPolarHBondContact O-CG 3.37Å; C119-L123 PolarHBondContact O-N 3.03Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.24Å; L123-V126 PolarHBondContact O-N 2.81Å; L123-Y127 WeakPolarHBondContact O-CD2 3.32Å; L123-Y127 PolarHBondContact O-N 2.98Å; L123-I136 HydrophobicContact CD2-CD1 3.54Å; L123-I136 HydrophobicContact CD2-CG2 4.46Å; L123-V153 HydrophobicContact CD1-CB 3.98Å; L123-V153 HydrophobicContact CD1-CG1 4.04Å; L123-V153 HydrophobicContact CD1-CG2 4.2Å
124R90.5Very high90.6Very high99 Ų9930.2 Ų30.237%0.37416%0.163SC..Hα-helixtrans-58.9-41.6173.8-79.6178.2-170.9139.5-2.3112.6K120 E121 I122 K128 H179 Y180K120-R124 WeakPolarHBondContact O-CB 3.28Å; K120-R124 VanDerWaalsContact O-CG 3.31Å; K120-R124 WeakPolarHBondContact O-CG 3.49Å; K120-R124 PolarHBondContact O-N 3.11Å; E121-R124 PolarHBondContact O-N 3.38Å; E121-R124 IonicContact OE2-NH1 3.65Å; E121-R124 PolarHBondContact OE2-NH1 3.08Å; I122-R124 VanDerWaalsContact C-N 3.33Å; I122-R124 PolarHBondContact O-N 2.94Å; R124-K128 WeakPolarHBondContact O-CB 3.4Å; R124-K128 PolarHBondContact O-N 3.21Å; R124-H179 HydrophobicContact CG-CB 4.21Å; R124-Y180 HydrophobicContact CB-CE2 4.14Å; R124-Y180 HydrophobicContact CG-CE2 4.19Å; R124-Y180 WeakPolarHBondContact O-CE2 3.43Å; R124-Y180 PolarHBondContact O-OH 2.66Å
125T91.2Very high90.8Very high39 Ų3930.6 Ų30.624%0.23917%0.165CC..Hα-helixtrans-66.4-42.7178.5-60.80000111.3C16 V55 E121 I122 L123 K128 A129C16-T125 HydrophobicContact CB-CG2 3.83Å; C16-T125 PolarHBondContact SG-OG1 3Å; V55-T125 HydrophobicContact CG1-CG2 4.23Å; E121-T125 WeakPolarHBondContact O-CB 3.46Å; E121-T125 PolarHBondContact O-N 2.72Å; E121-T125 PolarHBondContact O-OG1 3.49Å; I122-T125 WeakPolarHBondContact O-CB 3.44Å; I122-T125 PolarHBondContact O-N 2.78Å; I122-T125 VanDerWaalsContact O-N 3.12Å; L123-T125 VanDerWaalsContact C-N 3.3Å; L123-T125 PolarHBondContact O-N 3.24Å; T125-K128 PolarHBondContact O-N 2.94Å; T125-A129 WeakPolarHBondContact O-CB 3.46Å; T125-A129 PolarHBondContact O-N 2.93Å
126V92.8Very high91.2Very high0 Ų030 Ų300%016%0.16CC..Hα-helixtrans-62.6-45.9177.8172.10000111.4L53 V55 F70 I122 L123 K128 A129 V130 L133 I136L53-V126 HydrophobicContact CD2-CB 4.26Å; L53-V126 HydrophobicContact CD2-CG1 3.92Å; L53-V126 HydrophobicContact CD2-CG2 3.94Å; V55-V126 HydrophobicContact CG2-CG2 3.93Å; F70-V126 HydrophobicContact CD2-CG2 3.94Å; F70-V126 HydrophobicContact CE2-CG2 3.38Å; F70-V126 HydrophobicContact CZ-CG2 3.73Å; I122-V126 HydrophobicContact CG2-CG2 4.34Å; I122-V126 VanDerWaalsContact O-CG2 3.28Å; I122-V126 WeakPolarHBondContact O-CG2 3.22Å; I122-V126 PolarHBondContact O-N 2.92Å; L123-V126 PolarHBondContact O-N 2.81Å; V126-K128 VanDerWaalsContact C-N 3.3Å; V126-K128 PolarHBondContact O-N 3.48Å; V126-A129 PolarHBondContact O-N 3.21Å; V126-V130 PolarHBondContact O-N 3.4Å; V126-L133 HydrophobicContact CG1-CD2 3.62Å; V126-I136 HydrophobicContact CB-CD1 4.45Å; V126-I136 HydrophobicContact CG1-CD1 3.87Å
127Y91.2Very high91.4Very high0 Ų027.8 Ų27.80%015%0.146CC..Hα-helixtrans-68.8-25.2175.8-72.7-59.1000113.7L123 L133 I136 C174 R176 H179L123-Y127 WeakPolarHBondContact O-CD2 3.32Å; L123-Y127 PolarHBondContact O-N 2.98Å; Y127-L133 HydrophobicContact CD1-CB 4.11Å; Y127-L133 HydrophobicContact CD1-CD2 3.74Å; Y127-L133 HydrophobicContact CD1-CG 3.91Å; Y127-L133 HydrophobicContact CE1-CB 4.39Å; Y127-L133 HydrophobicContact CE1-CD2 3.8Å; Y127-L133 HydrophobicContact CE1-CG 3.78Å; Y127-I136 HydrophobicContact CD2-CD1 4.5Å; Y127-I136 HydrophobicContact CE1-CD1 4.08Å; Y127-I136 HydrophobicContact CE1-CG1 4.12Å; Y127-I136 HydrophobicContact CE2-CD1 3.88Å; Y127-I136 PolarHBondContact OH-N 3.43Å; Y127-C174 PolarHBondContact OH-O 3.01Å; Y127-R176 HydrophobicContact CD1-CB 3.76Å; Y127-R176 HydrophobicContact CD1-CG 3.76Å; Y127-R176 HydrophobicContact CD2-CG 4.44Å; Y127-R176 HydrophobicContact CE1-CB 3.6Å; Y127-R176 HydrophobicContact CE1-CG 4.16Å; Y127-R176 HydrophobicContact CE2-CB 4.44Å; Y127-R176 HydrophobicContact CG-CB 4.24Å; Y127-R176 HydrophobicContact CG-CG 3.93Å; Y127-R176 PolarHBondContact O-NH2 3.45Å; Y127-R176 PolarHBondContact OH-N 2.88Å; Y127-H179 HydrophobicContact CD2-CB 4.4Å
128K87.5Confident91.6Very high73 Ų7326.6 Ų26.632%0.31713%0.134SC..Hα-helixtrans-72.8-41.7170.7-176.1173.6179.7173.80110.8R124 T125 V126 E397 A401R124-K128 WeakPolarHBondContact O-CB 3.4Å; R124-K128 PolarHBondContact O-N 3.21Å; T125-K128 PolarHBondContact O-N 2.94Å; V126-K128 VanDerWaalsContact C-N 3.3Å; V126-K128 PolarHBondContact O-N 3.48Å; K128-E397 IonicContact NZ-OE1 3.91Å; K128-E397 PolarHBondContact NZ-OE1 2.88Å; K128-A401 HydrophobicContact CG-CB 4.35Å
129A88.3Confident91.6Very high59 Ų5926.6 Ų26.649%0.48813%0.134SC..Hα-helixtrans-72.8-27.8-177.500000114T125 V126T125-A129 WeakPolarHBondContact O-CB 3.46Å; T125-A129 PolarHBondContact O-N 2.93Å; V126-A129 PolarHBondContact O-N 3.21Å
130V89.3Confident91.5Very high10 Ų1026.6 Ų26.66%0.06113%0.134CC..  trans-122.988.2179.8-169.70000109.7L53 V126 E132 L133 L658L53-V130 HydrophobicContact CD2-CG2 4.35Å; V126-V130 PolarHBondContact O-N 3.4Å; V130-E132 PolarHBondContact O-N 2.95Å; V130-E132 VanDerWaalsContact O-N 3.15Å; V130-L133 HydrophobicContact CB-CB 3.92Å; V130-L133 HydrophobicContact CG1-CB 3.85Å; V130-L133 VanDerWaalsContact O-CB 3.24Å; V130-L133 WeakPolarHBondContact O-CB 3.36Å; V130-L133 PolarHBondContact O-N 3.12Å; V130-L658 HydrophobicContact CG2-CD1 4.17Å; V130-L658 HydrophobicContact CG2-CD2 4.42Å
131P85.6Confident91.3Very high40 Ų4023 Ų2326%0.2612%0.119SC..THydrogen-bonded Turntrans-61.9-20-175-25.736.1000115.4R176 I432P131-R176 VanDerWaalsContact C-NH1 3.3Å; P131-R176 PolarHBondContact O-NH1 3.22Å; P131-I432 HydrophobicContact CG-CG2 4.09Å
132E87.4Confident91Very high59 Ų5924.4 Ų24.428%0.27613%0.131SC..THydrogen-bonded Turntrans-86.6-15177.6-54.581.3-179.600112.6L100 N101 V130 H134L100-E132 HydrophobicContact CD1-CB 3.98Å; L100-E132 HydrophobicContact CD1-CG 4.07Å; L100-E132 HydrophobicContact CG-CB 4.04Å; L100-E132 HydrophobicContact CG-CG 4.49Å; N101-E132 WeakPolarHBondContact CA-O 3.34Å; N101-E132 VanDerWaalsContact CB-O 3.25Å; N101-E132 WeakPolarHBondContact CB-O 3.39Å; V130-E132 PolarHBondContact O-N 2.95Å; V130-E132 VanDerWaalsContact O-N 3.15Å; E132-H134 PolarHBondContact O-CD2 3.36Å; E132-H134 PolarHBondContact O-N 3.41Å
133L91.6Very high90.5Very high1 Ų131.2 Ų31.21%0.00516%0.158CC..  trans-68.2126-177.8-168.969.2000110.5L103 V126 Y127 V130 F135 I136 R176L103-L133 HydrophobicContact CB-CD1 3.89Å; L103-L133 HydrophobicContact CD1-CD1 3.99Å; L103-L133 HydrophobicContact CD1-CD2 4.01Å; L103-L133 HydrophobicContact CG-CD1 3.65Å; V126-L133 HydrophobicContact CG1-CD2 3.62Å; Y127-L133 HydrophobicContact CD1-CB 4.11Å; Y127-L133 HydrophobicContact CD1-CD2 3.74Å; Y127-L133 HydrophobicContact CD1-CG 3.91Å; Y127-L133 HydrophobicContact CE1-CB 4.39Å; Y127-L133 HydrophobicContact CE1-CD2 3.8Å; Y127-L133 HydrophobicContact CE1-CG 3.78Å; V130-L133 HydrophobicContact CB-CB 3.92Å; V130-L133 HydrophobicContact CG1-CB 3.85Å; V130-L133 VanDerWaalsContact O-CB 3.24Å; V130-L133 WeakPolarHBondContact O-CB 3.36Å; V130-L133 PolarHBondContact O-N 3.12Å; L133-F135 WeakPolarHBondContact CD1-O 3.46Å; L133-I136 HydrophobicContact CD2-CD1 3.99Å; L133-I136 HydrophobicContact CD2-CG1 3.83Å; L133-I136 HydrophobicContact CG-CG1 4.44Å; L133-R176 WeakPolarHBondContact O-CD 3.35Å; L133-R176 PolarHBondContact O-NH1 3.22Å
134H91.2Very high90.1Very high53 Ų5333.2 Ų33.225%0.24517%0.168CC..  trans-113.8-32.7175.6-71.1-175.1000111.9N101 E132 R176N101-H134 HydrophobicContact CB-CB 4.1Å; N101-H134 PolarHBondContact O-N 2.98Å; E132-H134 PolarHBondContact O-CD2 3.36Å; E132-H134 PolarHBondContact O-N 3.41Å; H134-R176 WeakPolarHBondContact O-CB 3.39Å; H134-R176 PolarHBondContact O-N 3.07Å
135F93.6Very high89.7Confident19 Ų1932.2 Ų32.28%0.08318%0.176CC..EExtended strand (participates in β ladder)trans-129.6137.9-173.5-47.2-79000112I95 P96 N101 T102 L103 L133 F137 I173 C174 H175I95-F135 HydrophobicContact CG2-CE1 4.16Å; I95-F135 HydrophobicContact CG2-CZ 4.15Å; P96-F135 HydrophobicContact CG-CZ 4.29Å; N101-F135 PolarHBondContact O-N 3Å; T102-F135 WeakPolarHBondContact CA-O 3.32Å; L103-F135 PolarHBondContact N-O 3.3Å; L133-F135 WeakPolarHBondContact CD1-O 3.46Å; F135-F137 HydrophobicContact CB-CD1 3.86Å; F135-F137 HydrophobicContact CB-CE1 3.52Å; F135-F137 HydrophobicContact CG-CE1 4.11Å; F135-I173 HydrophobicContact CB-CG2 4.34Å; F135-I173 HydrophobicContact CD1-CG2 4.02Å; F135-C174 WeakPolarHBondContact CA-O 3.45Å; F135-H175 AromaticContact CD1-CE1 3.99Å; F135-H175 AromaticContact CD1-ND1 3.64Å; F135-H175 AromaticContact CE1-CE1 3.82Å; F135-H175 AromaticContact CE1-ND1 3.54Å
136I96Very high89.3Confident0 Ų030.7 Ų30.70%017%0.166CC..EExtended strand (participates in β ladder)trans-116.4121.8165.9-65.9169.9000107.2F70 L103 M105 L123 V126 Y127 L133 F154 C174F70-I136 HydrophobicContact CD1-CG2 4.2Å; F70-I136 HydrophobicContact CE1-CD1 4.23Å; F70-I136 HydrophobicContact CE1-CG2 3.96Å; L103-I136 CarbonylContact O-C 3.56Å; L103-I136 WeakPolarHBondContact O-CA 3.21Å; M105-I136 HydrophobicContact CB-CG2 4.27Å; L123-I136 HydrophobicContact CD2-CD1 3.54Å; L123-I136 HydrophobicContact CD2-CG2 4.46Å; V126-I136 HydrophobicContact CB-CD1 4.45Å; V126-I136 HydrophobicContact CG1-CD1 3.87Å; Y127-I136 HydrophobicContact CD2-CD1 4.5Å; Y127-I136 HydrophobicContact CE1-CD1 4.08Å; Y127-I136 HydrophobicContact CE1-CG1 4.12Å; Y127-I136 HydrophobicContact CE2-CD1 3.88Å; Y127-I136 PolarHBondContact OH-N 3.43Å; L133-I136 HydrophobicContact CD2-CD1 3.99Å; L133-I136 HydrophobicContact CD2-CG1 3.83Å; L133-I136 HydrophobicContact CG-CG1 4.44Å; I136-F154 HydrophobicContact CG2-CE1 4.18Å; I136-F154 HydrophobicContact CG2-CZ 4.07Å; I136-F154 WeakPolarHBondContact O-CE1 3.22Å; I136-C174 HydrophobicContact CB-CB 4.25Å; I136-C174 PolarHBondContact N-O 2.98Å; I136-C174 PolarHBondContact O-N 2.97Å
137F95Very high88.7Confident4 Ų431.7 Ų31.72%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-98.7144.6-178-80.638.9000109.8F88 I95 C97 T102 L103 F104 M105 F135 V171 H172 I173F88-F137 HydrophobicContact CB-CE2 4.3Å; F88-F137 AromaticContact CD1-CD2 3.69Å; F88-F137 HydrophobicContact CD1-CD2 3.69Å; F88-F137 AromaticContact CD1-CE2 3.36Å; F88-F137 HydrophobicContact CD1-CE2 3.36Å; F88-F137 AromaticContact CE1-CD2 3.61Å; F88-F137 HydrophobicContact CE1-CD2 3.61Å; F88-F137 AromaticContact CE1-CE2 3.82Å; F88-F137 HydrophobicContact CE1-CE2 3.82Å; F88-F137 HydrophobicContact CG-CD2 4.41Å; F88-F137 AromaticContact CG-CE2 3.94Å; F88-F137 HydrophobicContact CG-CE2 3.94Å; F88-F137 HydrophobicContact CZ-CD2 4.34Å; I95-F137 HydrophobicContact CG2-CZ 4.35Å; C97-F137 HydrophobicContact CB-CZ 4.12Å; T102-F137 HydrophobicContact CG2-CD1 3.79Å; T102-F137 HydrophobicContact CG2-CE1 4.07Å; T102-F137 HydrophobicContact CG2-CG 4.12Å; L103-F137 PolarHBondContact O-N 3.44Å; F104-F137 CarbonylContact C-O 3.53Å; F104-F137 WeakPolarHBondContact CA-O 3.44Å; F104-F137 HydrophobicContact CD1-CB 3.46Å; F104-F137 VanDerWaalsContact CD1-CB 3.46Å; F104-F137 HydrophobicContact CD1-CG 4.4Å; F104-F137 HydrophobicContact CE1-CB 3.57Å; F104-F137 AromaticContact CE1-CD2 3.85Å; F104-F137 HydrophobicContact CE1-CD2 3.85Å; F104-F137 HydrophobicContact CE1-CG 4.03Å; F104-F137 HydrophobicContact CG-CB 4.29Å; F104-F137 HydrophobicContact CZ-CB 4.46Å; F104-F137 HydrophobicContact CZ-CD2 4.42Å; M105-F137 PolarHBondContact N-O 2.83Å; F135-F137 HydrophobicContact CB-CD1 3.86Å; F135-F137 HydrophobicContact CB-CE1 3.52Å; F135-F137 HydrophobicContact CG-CE1 4.11Å; F137-V171 HydrophobicContact CD2-CG1 4.14Å; F137-V171 HydrophobicContact CE2-CG1 4.43Å; F137-H172 CarbonylContact C-O 3.6Å; F137-H172 WeakPolarHBondContact CA-O 3.24Å; F137-I173 HydrophobicContact CD1-CD1 4.24Å; F137-I173 HydrophobicContact CD1-CG1 3.89Å; F137-I173 HydrophobicContact CD1-CG2 4.27Å; F137-I173 HydrophobicContact CD2-CG1 4.45Å; F137-I173 HydrophobicContact CE1-CB 4.46Å; F137-I173 HydrophobicContact CE1-CD1 3.52Å; F137-I173 HydrophobicContact CE1-CG1 3.7Å; F137-I173 HydrophobicContact CE1-CG2 4.04Å; F137-I173 HydrophobicContact CE2-CD1 4.03Å; F137-I173 HydrophobicContact CE2-CG1 4.29Å; F137-I173 HydrophobicContact CG-CG1 4.27Å; F137-I173 HydrophobicContact CZ-CD1 3.41Å; F137-I173 VanDerWaalsContact CZ-CD1 3.41Å; F137-I173 HydrophobicContact CZ-CG1 3.92Å
138L94.6Very high88.2Confident0 Ų036.3 Ų36.30%021%0.209CC..EExtended strand (participates in β ladder)trans-134.1123.2174.3173.762000109.2F39 M105 V140 L146 L150 F154 H172F39-L138 HydrophobicContact CD1-CD1 4.45Å; F39-L138 HydrophobicContact CE1-CD1 3.52Å; F39-L138 HydrophobicContact CZ-CD1 4.07Å; M105-L138 HydrophobicContact CB-CD1 4.35Å; L138-V140 HydrophobicContact CD1-CG1 4.12Å; L138-V140 HydrophobicContact CD2-CG1 4.47Å; L138-V140 HydrophobicContact CG-CG1 4.06Å; L138-L146 HydrophobicContact CD2-CD2 3.45Å; L138-L146 VanDerWaalsContact CD2-CD2 3.45Å; L138-L146 HydrophobicContact CG-CD2 4.25Å; L138-L150 HydrophobicContact CD2-CB 4.5Å; L138-L150 HydrophobicContact CD2-CD1 3.99Å; L138-F154 HydrophobicContact CB-CD1 3.82Å; L138-F154 HydrophobicContact CB-CE1 3.57Å; L138-F154 HydrophobicContact CB-CG 4.47Å; L138-F154 HydrophobicContact CB-CZ 4.04Å; L138-F154 HydrophobicContact CD2-CD1 4.44Å; L138-F154 HydrophobicContact CD2-CD2 4.17Å; L138-F154 HydrophobicContact CD2-CE1 4.48Å; L138-F154 HydrophobicContact CD2-CE2 4.23Å; L138-F154 HydrophobicContact CD2-CG 4.3Å; L138-F154 HydrophobicContact CD2-CZ 4.38Å; L138-H172 HydrophobicContact CB-CB 4.49Å; L138-H172 PolarHBondContact N-O 3.01Å; L138-H172 PolarHBondContact O-N 2.97Å
139I92.3Very high88.1Confident0 Ų033.8 Ų33.80%020%0.199CC..EExtended strand (participates in β ladder)trans-113128.4-178.1-54.2154.3000107.7P74 N75 W76 V78 F88 F104 F169 A170P74-I139 HydrophobicContact CB-CD1 3.5Å; P74-I139 VanDerWaalsContact CB-CD1 3.5Å; P74-I139 HydrophobicContact CG-CD1 4.08Å; N75-I139 PolarHBondContact ND2-O 2.98Å; N75-I139 WeakPolarHBondContact OD1-CB 3.32Å; N75-I139 PolarHBondContact OD1-N 3.42Å; W76-I139 HydrophobicContact CB-CG2 4.4Å; W76-I139 PolarHBondContact NE1-O 3.09Å; V78-I139 HydrophobicContact CG1-CG2 4.09Å; V78-I139 HydrophobicContact CG2-CD1 3.85Å; V78-I139 HydrophobicContact CG2-CG2 4.49Å; F88-I139 HydrophobicContact CZ-CD1 3.8Å; F88-I139 HydrophobicContact CZ-CG1 4.37Å; F104-I139 HydrophobicContact CD1-CD1 3.98Å; F104-I139 HydrophobicContact CE1-CD1 4.11Å; I139-F169 HydrophobicContact CG2-CB 3.69Å; I139-F169 HydrophobicContact CG2-CD1 3.96Å; I139-F169 HydrophobicContact CG2-CG 4.18Å; I139-A170 WeakPolarHBondContact CA-O 3.34Å
140V91Very high88.1Confident0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-137.6151.5-177.8-640000110.5L38 L138 S142 L146 F169 A170 H172L38-V140 HydrophobicContact CD2-CB 4.25Å; L38-V140 HydrophobicContact CD2-CG1 3.93Å; L138-V140 HydrophobicContact CD1-CG1 4.12Å; L138-V140 HydrophobicContact CD2-CG1 4.47Å; L138-V140 HydrophobicContact CG-CG1 4.06Å; V140-S142 PolarHBondContact O-N 2.94Å; V140-L146 HydrophobicContact CG1-CD2 3.81Å; V140-L146 HydrophobicContact CG2-CD2 3.95Å; V140-F169 CarbonylContact O-C 3.49Å; V140-F169 WeakPolarHBondContact O-CA 3.33Å; V140-A170 HydrophobicContact CG2-CB 4.27Å; V140-A170 PolarHBondContact N-O 2.84Å; V140-A170 PolarHBondContact O-N 2.99Å; V140-H172 VanDerWaalsContact CG2-CE1 3.45Å; V140-H172 WeakPolarHBondContact CG2-CE1 3.42Å
141P88.8Confident88.1Confident2 Ų235.4 Ų35.41%0.01320%0.199CC..EExtended strand (participates in β ladder)trans-56.7133175.2-21.331.1000110.8W76 Y143 M144 F169W76-P141 HydrophobicContact CZ2-CG 4.43Å; P141-Y143 HydrophobicContact CB-CD1 3.85Å; P141-Y143 HydrophobicContact CB-CE1 3.35Å; P141-Y143 HydrophobicContact CB-CE2 4.18Å; P141-Y143 HydrophobicContact CB-CG 4.46Å; P141-Y143 HydrophobicContact CG-CE1 4.39Å; P141-Y143 PolarHBondContact O-N 3.41Å; P141-Y143 VanDerWaalsContact O-N 3.09Å; P141-M144 WeakPolarHBondContact O-CB 3.07Å; P141-M144 PolarHBondContact O-N 2.97Å; P141-F169 HydrophobicContact CB-CE1 4.25Å; P141-F169 HydrophobicContact CG-CD1 4.37Å; P141-F169 HydrophobicContact CG-CE1 3.81Å; P141-F169 HydrophobicContact CG-CZ 4.45Å
142S86.3Confident88.2Confident53 Ų5336.9 Ų36.937%0.37121%0.207SC..THydrogen-bonded Turntrans-59.3-25-172.755.50000114.5V140 M144 D168V140-S142 PolarHBondContact O-N 2.94Å; S142-M144 VanDerWaalsContact C-N 3.29Å; S142-M144 PolarHBondContact O-N 2.94Å; S142-D168 WeakPolarHBondContact CB-O 3.47Å; S142-D168 PolarHBondContact N-O 2.84Å; S142-D168 PolarHBondContact OG-O 2.85Å
143Y83.4Confident88.3Confident145 Ų14534.8 Ų34.857%0.56920%0.198SC*.THydrogen-bonded Turntrans-79-6.5176.361.4-95.9000114.1P141P141-Y143 HydrophobicContact CB-CD1 3.85Å; P141-Y143 HydrophobicContact CB-CE1 3.35Å; P141-Y143 HydrophobicContact CB-CE2 4.18Å; P141-Y143 HydrophobicContact CB-CG 4.46Å; P141-Y143 HydrophobicContact CG-CE1 4.39Å; P141-Y143 PolarHBondContact O-N 3.41Å; P141-Y143 VanDerWaalsContact O-N 3.09Å
144M84.1Confident88.4Confident42 Ų4234.9 Ų34.921%0.20720%0.199CC..SBendtrans-101.5140.3179.3-77.6-73.5167.600111.8K37 L38 P141 S142K37-M144 HydrophobicContact CB-CE 3.72Å; K37-M144 HydrophobicContact CB-SD 4.04Å; K37-M144 HydrophobicContact CD-CE 3.53Å; K37-M144 HydrophobicContact CD-SD 4.28Å; K37-M144 HydrophobicContact CG-CE 3.74Å; L38-M144 HydrophobicContact CD2-CB 4.16Å; P141-M144 WeakPolarHBondContact O-CB 3.07Å; P141-M144 PolarHBondContact O-N 2.97Å; S142-M144 VanDerWaalsContact C-N 3.29Å; S142-M144 PolarHBondContact O-N 2.94Å
145S82.8Confident88.3Confident78 Ų7836.9 Ų36.955%0.54521%0.211SC..  trans-84.9140.5166.5172.10000110.3F34 G147F34-S145 WeakPolarHBondContact CZ-O 3.39Å; S145-G147 PolarHBondContact O-N 2.93Å; S145-G147 PolarHBondContact OG-N 2.98Å
146L82.1Confident88.2Confident6 Ų641.7 Ų41.73%0.03123%0.234CC..  trans-58.6-11.2173.8-78.5-176.6000114.7L138 V140 L150 I151 F154 H172L138-L146 HydrophobicContact CD2-CD2 3.45Å; L138-L146 VanDerWaalsContact CD2-CD2 3.45Å; L138-L146 HydrophobicContact CG-CD2 4.25Å; V140-L146 HydrophobicContact CG1-CD2 3.81Å; V140-L146 HydrophobicContact CG2-CD2 3.95Å; L146-L150 HydrophobicContact CB-CB 4.03Å; L146-L150 HydrophobicContact CD1-CB 4.47Å; L146-L150 HydrophobicContact CD2-CB 4.28Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L146-I151 HydrophobicContact CB-CB 4.33Å; L146-F154 HydrophobicContact CD1-CB 4Å; L146-H172 HydrophobicContact CD1-CB 4.26Å; L146-H172 WeakPolarHBondContact CD1-CD2 3.49Å; L146-H172 WeakPolarHBondContact CD1-NE2 3.45Å
147G80.5Confident87.8Confident21 Ų2144 Ų4422%0.21625%0.248CC..Hα-helixtrans73.7169.8-174.200000112.3S145 T149 I151S145-G147 PolarHBondContact O-N 2.93Å; S145-G147 PolarHBondContact OG-N 2.98Å; G147-T149 PolarHBondContact O-N 3.04Å; G147-T149 VanDerWaalsContact O-N 3.09Å; G147-I151 WeakPolarHBondContact O-CB 3.5Å; G147-I151 WeakPolarHBondContact O-CG2 3.42Å; G147-I151 PolarHBondContact O-N 2.84Å
148S81.1Confident87.4Confident97 Ų9744.6 Ų44.668%0.67826%0.255SS*.Hα-helixtrans-64.2-17-173.157.20000114.7T152S148-T152 VanDerWaalsContact O-CG2 3.29Å; S148-T152 WeakPolarHBondContact O-CG2 3.45Å
149T84.6Confident87Confident20 Ų2048.4 Ų48.412%0.12328%0.275CS..Hα-helixtrans-86.7-61.8-177.7-56.50000111.7F108 S115 V116 C119 G147 I151 T152F108-T149 HydrophobicContact CE1-CG2 3.89Å; F108-T149 HydrophobicContact CZ-CG2 4.31Å; S115-T149 VanDerWaalsContact C-CG2 3.48Å; S115-T149 WeakPolarHBondContact CB-OG1 3.32Å; S115-T149 WeakPolarHBondContact O-CG2 3.36Å; S115-T149 PolarHBondContact OG-OG1 3.34Å; V116-T149 HydrophobicContact CG2-CG2 4.24Å; C119-T149 HydrophobicContact CB-CG2 4.09Å; G147-T149 PolarHBondContact O-N 3.04Å; G147-T149 VanDerWaalsContact O-N 3.09Å; T149-I151 VanDerWaalsContact C-N 3.3Å; T149-I151 PolarHBondContact O-N 2.78Å; T149-T152 PolarHBondContact O-N 3.34Å; T149-T152 PolarHBondContact O-OG1 3.33Å
150L88.3Confident86.7Confident5 Ų548.8 Ų48.83%0.02628%0.277CS..Hα-helixtrans-68.7-30.2-172.8-64.2169.7000111.8L38 F39 M105 F108 L138 L146 T152 V153 F154L38-L150 HydrophobicContact CD1-CD1 4.13Å; F39-L150 HydrophobicContact CZ-CD1 4.42Å; M105-L150 HydrophobicContact SD-CD2 4.27Å; F108-L150 HydrophobicContact CD1-CD2 3.85Å; F108-L150 HydrophobicContact CD1-CG 4.38Å; F108-L150 HydrophobicContact CE1-CD2 4.35Å; F108-L150 HydrophobicContact CG-CD2 4.23Å; L138-L150 HydrophobicContact CD2-CB 4.5Å; L138-L150 HydrophobicContact CD2-CD1 3.99Å; L146-L150 HydrophobicContact CB-CB 4.03Å; L146-L150 HydrophobicContact CD1-CB 4.47Å; L146-L150 HydrophobicContact CD2-CB 4.28Å; L146-L150 HydrophobicContact CD2-CD1 4.39Å; L150-T152 PolarHBondContact O-N 3.47Å; L150-T152 VanDerWaalsContact O-N 3.1Å; L150-V153 WeakPolarHBondContact O-CG2 3.38Å; L150-V153 PolarHBondContact O-N 3.24Å; L150-V153 VanDerWaalsContact O-N 3.16Å; L150-F154 HydrophobicContact CB-CD2 4.32Å; L150-F154 HydrophobicContact CD2-CD2 4.26Å; L150-F154 HydrophobicContact CD2-CE2 4.06Å; L150-F154 WeakPolarHBondContact O-CB 3.12Å; L150-F154 PolarHBondContact O-N 2.91Å
151I89.4Confident86.2Confident99 Ų9952.9 Ų52.951%0.50830%0.304SS..THydrogen-bonded Turntrans-63.7-15.6176.4-155.1165.8000113.7L146 G147 T149 V153L146-I151 HydrophobicContact CB-CB 4.33Å; G147-I151 WeakPolarHBondContact O-CB 3.5Å; G147-I151 WeakPolarHBondContact O-CG2 3.42Å; G147-I151 PolarHBondContact O-N 2.84Å; T149-I151 VanDerWaalsContact C-N 3.3Å; T149-I151 PolarHBondContact O-N 2.78Å; I151-V153 VanDerWaalsContact C-N 3.34Å
152T87.8Confident85.7Confident70 Ų7053.5 Ų53.543%0.42931%0.308SS..THydrogen-bonded Turntrans-84.6-8.8178.865.70000113.9S148 T149 L150S148-T152 VanDerWaalsContact O-CG2 3.29Å; S148-T152 WeakPolarHBondContact O-CG2 3.45Å; T149-T152 PolarHBondContact O-N 3.34Å; T149-T152 PolarHBondContact O-OG1 3.33Å; L150-T152 PolarHBondContact O-N 3.47Å; L150-T152 VanDerWaalsContact O-N 3.1Å
153V90.5Very high85.2Confident15 Ų1556 Ų569%0.09132%0.317CS..THydrogen-bonded Turntrans-133.2-14.3-173.7-930000113.6K120 L123 L150 I151 C174K120-V153 HydrophobicContact CG-CG1 3.8Å; L123-V153 HydrophobicContact CD1-CB 3.98Å; L123-V153 HydrophobicContact CD1-CG1 4.04Å; L123-V153 HydrophobicContact CD1-CG2 4.2Å; L150-V153 WeakPolarHBondContact O-CG2 3.38Å; L150-V153 PolarHBondContact O-N 3.24Å; L150-V153 VanDerWaalsContact O-N 3.16Å; I151-V153 VanDerWaalsContact C-N 3.34Å; V153-C174 PolarHBondContact O-SG 3.24Å
154F93Very high84.5Confident4 Ų453 Ų532%0.01831%0.314CS..  trans-118.1127.5-179.8-78.2-85.5000110.8M105 I136 L138 L146 L150 H172 I173 C174M105-F154 HydrophobicContact CE-CE2 4Å; M105-F154 HydrophobicContact CE-CZ 3.82Å; M105-F154 HydrophobicContact SD-CE2 4.22Å; M105-F154 HydrophobicContact SD-CZ 4.15Å; I136-F154 HydrophobicContact CG2-CE1 4.18Å; I136-F154 HydrophobicContact CG2-CZ 4.07Å; I136-F154 WeakPolarHBondContact O-CE1 3.22Å; L138-F154 HydrophobicContact CB-CD1 3.82Å; L138-F154 HydrophobicContact CB-CE1 3.57Å; L138-F154 HydrophobicContact CB-CG 4.47Å; L138-F154 HydrophobicContact CB-CZ 4.04Å; L138-F154 HydrophobicContact CD2-CD1 4.44Å; L138-F154 HydrophobicContact CD2-CD2 4.17Å; L138-F154 HydrophobicContact CD2-CE1 4.48Å; L138-F154 HydrophobicContact CD2-CE2 4.23Å; L138-F154 HydrophobicContact CD2-CG 4.3Å; L138-F154 HydrophobicContact CD2-CZ 4.38Å; L146-F154 HydrophobicContact CD1-CB 4Å; L150-F154 HydrophobicContact CB-CD2 4.32Å; L150-F154 HydrophobicContact CD2-CD2 4.26Å; L150-F154 HydrophobicContact CD2-CE2 4.06Å; L150-F154 WeakPolarHBondContact O-CB 3.12Å; L150-F154 PolarHBondContact O-N 2.91Å; F154-H172 HydrophobicContact CB-CB 3.88Å; F154-H172 HydrophobicContact CD1-CB 4.13Å; F154-H172 HydrophobicContact CG-CB 4.4Å; F154-I173 WeakPolarHBondContact CA-O 3.24Å; F154-C174 HydrophobicContact CD1-CB 3.77Å; F154-C174 HydrophobicContact CE1-CB 3.56Å; F154-C174 HydrophobicContact CE2-CB 4.48Å; F154-C174 HydrophobicContact CG-CB 4.32Å; F154-C174 HydrophobicContact CZ-CB 3.94Å
155D90.3Very high83.8Confident95 Ų9558.3 Ų58.351%0.50833%0.333SS..EExtended strand (participates in β ladder)trans-99.5136.3175.6-61.9-50.3000109.9H172 I173D155-H172 CarbonylContact O-C 3.53Å; D155-H172 WeakPolarHBondContact O-CA 3.18Å; D155-I173 PolarHBondContact N-O 2.96Å; D155-I173 PolarHBondContact O-N 3.01Å
156Q89.8Confident82.9Confident119 Ų11964.6 Ų64.656%0.55635%0.353SS*.EExtended strand (participates in β ladder)trans-78.2130.3178.2-170.8178.3-0.100110.3N159Q156-N159 PolarHBondContact NE2-OD1 3.47Å
157V87.9Confident82.7Confident48 Ų4868.2 Ų68.229%0.29137%0.37SS..EExtended strand (participates in β ladder)trans-103.5-42.1179.9177.80000111.8L91 D92 I95 V171 I173L91-V157 HydrophobicContact CD2-CG1 4.12Å; D92-V157 HydrophobicContact CB-CG1 4.07Å; I95-V157 HydrophobicContact CD1-CG1 3.79Å; I95-V157 HydrophobicContact CD1-CG2 4.24Å; V157-V171 PolarHBondContact N-O 3.01Å; V157-I173 HydrophobicContact CB-CD1 4.37Å; V157-I173 HydrophobicContact CG2-CB 4.15Å; V157-I173 HydrophobicContact CG2-CD1 3.5Å; V157-I173 HydrophobicContact CG2-CG1 3.67Å
158G86.9Confident82.8Confident17 Ų1771.4 Ų71.418%0.17538%0.382CS..EExtended strand (participates in β ladder)trans177.3-168179.500000112.8V171G158-V171 PolarHBondContact O-N 2.85Å
159N87.1Confident83.2Confident80 Ų8066.9 Ų66.943%0.42835%0.35SS..EExtended strand (participates in β ladder)trans-121.1142.8-179.5-61.5-30.2000111Q156 F169 A170Q156-N159 PolarHBondContact NE2-OD1 3.47Å; N159-F169 CarbonylContact C-O 3.49Å; N159-F169 WeakPolarHBondContact CA-O 3.44Å; N159-A170 WeakPolarHBondContact OD1-CA 3.29Å; N159-A170 WeakPolarHBondContact OD1-CB 3.5Å
160I85.8Confident83.5Confident8 Ų866.1 Ų66.14%0.04135%0.346CS..EExtended strand (participates in β ladder)trans-127.6137.1178.1-60177.3000108.8V78 V87 F88 L91 F169 V171V78-I160 HydrophobicContact CB-CG2 4.17Å; V87-I160 HydrophobicContact CG1-CD1 4.12Å; V87-I160 HydrophobicContact CG1-CG2 3.88Å; F88-I160 HydrophobicContact CD1-CD1 3.9Å; F88-I160 HydrophobicContact CE1-CD1 3.67Å; F88-I160 HydrophobicContact CE2-CD1 4.48Å; F88-I160 HydrophobicContact CG-CD1 4.45Å; F88-I160 HydrophobicContact CZ-CD1 3.98Å; L91-I160 HydrophobicContact CD1-CG1 3.97Å; L91-I160 HydrophobicContact CD2-CD1 4.1Å; L91-I160 HydrophobicContact CD2-CG1 4.23Å; I160-F169 PolarHBondContact N-O 3.23Å; I160-F169 PolarHBondContact O-N 3.19Å; I160-V171 HydrophobicContact CB-CG2 4.48Å; I160-V171 HydrophobicContact CD1-CG2 3.52Å; I160-V171 HydrophobicContact CG1-CG2 3.8Å
161P80.4Confident83.6Confident86 Ų8666 Ų6656%0.55835%0.345SS*.EExtended strand (participates in β ladder)trans-70.7145.7174.729.3-34.8000111.9
162C78.4Confident83.8Confident16 Ų1661.9 Ų61.911%0.10832%0.324CS..  trans-72.5146.6172.8-169.30000112N77 T164 Y165 E167 F169N77-C162 PolarHBondContact O-SG 3.23Å; C162-T164 VanDerWaalsContact C-N 3.27Å; C162-T164 PolarHBondContact O-N 3.47Å; C162-T164 PolarHBondContact SG-OG1 2.79Å; C162-T164 VanDerWaalsContact SG-OG1 3.35Å; C162-Y165 WeakPolarHBondContact CB-O 3.49Å; C162-E167 WeakPolarHBondContact CB-O 3.49Å; C162-E167 PolarHBondContact N-O 3.22Å; C162-E167 VanDerWaalsContact N-O 3.17Å; C162-F169 HydrophobicContact CB-CD2 3.83Å; C162-F169 HydrophobicContact CB-CE2 3.56Å
163L75.3Confident84.1Confident104 Ų10458.7 Ų58.755%0.54530%0.304SS..SBendtrans-72.7-20.6175.2-64.1175.5000113.2N77 K80N77-L163 WeakPolarHBondContact O-CB 3.37Å; N77-L163 PolarHBondContact O-N 2.82Å; K80-L163 HydrophobicContact CG-CD1 4.42Å
164T68.6Low84.3Confident82 Ų8258 Ų5850%0.50330%0.3SS..SBendtrans-116.2-17.8-171.738.60000115.2N77 C162N77-T164 WeakPolarHBondContact ND2-CG2 3.28Å; C162-T164 VanDerWaalsContact C-N 3.27Å; C162-T164 PolarHBondContact O-N 3.47Å; C162-T164 PolarHBondContact SG-OG1 2.79Å; C162-T164 VanDerWaalsContact SG-OG1 3.35Å
165Y68.6Low84.2Confident155 Ų15559.6 Ų59.661%0.60831%0.308SS*.SBendtrans-134151.8-175.2-56.3-69.8000110.6C162 E167C162-Y165 WeakPolarHBondContact CB-O 3.49Å; Y165-E167 PolarHBondContact O-N 3.15Å
166E65.4Low84.2Confident209 Ų20955.4 Ų55.498%0.97728%0.284SS*.SBendtrans-77.853.8168.6-65.7-173.4172.500110.7
167E77.7Confident84Confident83 Ų8355.5 Ų55.539%0.38829%0.285SS..  trans-129.4132.9175.7-68.1-171.817700109.8C162 Y165 F169C162-E167 WeakPolarHBondContact CB-O 3.49Å; C162-E167 PolarHBondContact N-O 3.22Å; C162-E167 VanDerWaalsContact N-O 3.17Å; Y165-E167 PolarHBondContact O-N 3.15Å; E167-F169 HydrophobicContact CB-CE2 4.1Å; E167-F169 WeakPolarHBondContact O-CD2 3.17Å
168D83Confident83.9Confident87 Ų8756.8 Ų56.847%0.46530%0.296SS..EExtended strand (participates in β ladder)trans-82.7141.1173.2-69.9-23.3000110.4S142S142-D168 WeakPolarHBondContact CB-O 3.47Å; S142-D168 PolarHBondContact N-O 2.84Å; S142-D168 PolarHBondContact OG-O 2.85Å
169F88.6Confident83.7Confident3 Ų357.2 Ų57.21%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-115.2130.5178.8-76.5-100.7000110.5W76 V78 I139 V140 P141 N159 I160 C162 E167W76-F169 HydrophobicContact CB-CD1 4.08Å; W76-F169 HydrophobicContact CB-CE1 3.89Å; W76-F169 HydrophobicContact CB-CZ 4.47Å; W76-F169 AromaticContact CD1-CD1 3.82Å; W76-F169 AromaticContact CD1-CE1 3.7Å; W76-F169 HydrophobicContact CD2-CD1 4.37Å; W76-F169 AromaticContact CD2-CE1 3.52Å; W76-F169 HydrophobicContact CD2-CE1 3.52Å; W76-F169 HydrophobicContact CD2-CZ 4.16Å; W76-F169 AromaticContact CE2-CE1 3.86Å; W76-F169 HydrophobicContact CE3-CE1 4.03Å; W76-F169 HydrophobicContact CE3-CZ 4.21Å; W76-F169 AromaticContact CG-CD1 3.83Å; W76-F169 HydrophobicContact CG-CD1 3.83Å; W76-F169 AromaticContact CG-CE1 3.43Å; W76-F169 HydrophobicContact CG-CE1 3.43Å; W76-F169 VanDerWaalsContact CG-CE1 3.43Å; W76-F169 HydrophobicContact CG-CZ 4.27Å; W76-F169 AromaticContact NE1-CE1 3.94Å; V78-F169 HydrophobicContact CG1-CB 3.93Å; V78-F169 HydrophobicContact CG1-CD2 4.13Å; V78-F169 HydrophobicContact CG1-CG 3.96Å; I139-F169 HydrophobicContact CG2-CB 3.69Å; I139-F169 HydrophobicContact CG2-CD1 3.96Å; I139-F169 HydrophobicContact CG2-CG 4.18Å; V140-F169 CarbonylContact O-C 3.49Å; V140-F169 WeakPolarHBondContact O-CA 3.33Å; P141-F169 HydrophobicContact CB-CE1 4.25Å; P141-F169 HydrophobicContact CG-CD1 4.37Å; P141-F169 HydrophobicContact CG-CE1 3.81Å; P141-F169 HydrophobicContact CG-CZ 4.45Å; N159-F169 CarbonylContact C-O 3.49Å; N159-F169 WeakPolarHBondContact CA-O 3.44Å; I160-F169 PolarHBondContact N-O 3.23Å; I160-F169 PolarHBondContact O-N 3.19Å; C162-F169 HydrophobicContact CB-CD2 3.83Å; C162-F169 HydrophobicContact CB-CE2 3.56Å; E167-F169 HydrophobicContact CB-CE2 4.1Å; E167-F169 WeakPolarHBondContact O-CD2 3.17Å
170A90.3Very high83.3Confident4 Ų454.7 Ų54.73%0.03328%0.278CS..EExtended strand (participates in β ladder)trans-81.5128.6174.300000110.7I139 V140 N159 H172I139-A170 WeakPolarHBondContact CA-O 3.34Å; V140-A170 HydrophobicContact CG2-CB 4.27Å; V140-A170 PolarHBondContact N-O 2.84Å; V140-A170 PolarHBondContact O-N 2.99Å; N159-A170 WeakPolarHBondContact OD1-CA 3.29Å; N159-A170 WeakPolarHBondContact OD1-CB 3.5Å; A170-H172 PolarHBondContact O-ND1 3.16Å
171V91.4Very high83Confident1 Ų156.9 Ų56.91%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-96.7127176.7179.60000109.2F88 L91 F137 V157 G158 I160F88-V171 HydrophobicContact CD1-CG1 4.12Å; F88-V171 HydrophobicContact CE1-CB 4.39Å; F88-V171 HydrophobicContact CE1-CG1 3.66Å; F88-V171 HydrophobicContact CE1-CG2 3.77Å; L91-V171 HydrophobicContact CD2-CB 3.97Å; L91-V171 HydrophobicContact CD2-CG1 4.17Å; L91-V171 HydrophobicContact CD2-CG2 4.02Å; F137-V171 HydrophobicContact CD2-CG1 4.14Å; F137-V171 HydrophobicContact CE2-CG1 4.43Å; V157-V171 PolarHBondContact N-O 3.01Å; G158-V171 PolarHBondContact O-N 2.85Å; I160-V171 HydrophobicContact CB-CG2 4.48Å; I160-V171 HydrophobicContact CD1-CG2 3.52Å; I160-V171 HydrophobicContact CG1-CG2 3.8Å
172H92.9Very high83.1Confident14 Ų1459.8 Ų59.87%0.06530%0.299CS..EExtended strand (participates in β ladder)trans-122.4148.4174.5-52.177.6000111.2F137 L138 V140 L146 F154 D155 A170F137-H172 CarbonylContact C-O 3.6Å; F137-H172 WeakPolarHBondContact CA-O 3.24Å; L138-H172 HydrophobicContact CB-CB 4.49Å; L138-H172 PolarHBondContact N-O 3.01Å; L138-H172 PolarHBondContact O-N 2.97Å; V140-H172 VanDerWaalsContact CG2-CE1 3.45Å; V140-H172 WeakPolarHBondContact CG2-CE1 3.42Å; L146-H172 HydrophobicContact CD1-CB 4.26Å; L146-H172 WeakPolarHBondContact CD1-CD2 3.49Å; L146-H172 WeakPolarHBondContact CD1-NE2 3.45Å; F154-H172 HydrophobicContact CB-CB 3.88Å; F154-H172 HydrophobicContact CD1-CB 4.13Å; F154-H172 HydrophobicContact CG-CB 4.4Å; D155-H172 CarbonylContact O-C 3.53Å; D155-H172 WeakPolarHBondContact O-CA 3.18Å; A170-H172 PolarHBondContact O-ND1 3.16Å
173I93.8Very high83.5Confident2 Ų259.4 Ų59.41%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-126.4135.3-176.6-59.2-175.7000109.7I95 F135 F137 F154 D155 V157I95-I173 HydrophobicContact CD1-CD1 3.48Å; I95-I173 VanDerWaalsContact CD1-CD1 3.48Å; I95-I173 HydrophobicContact CG2-CD1 4.3Å; F135-I173 HydrophobicContact CB-CG2 4.34Å; F135-I173 HydrophobicContact CD1-CG2 4.02Å; F137-I173 HydrophobicContact CD1-CD1 4.24Å; F137-I173 HydrophobicContact CD1-CG1 3.89Å; F137-I173 HydrophobicContact CD1-CG2 4.27Å; F137-I173 HydrophobicContact CD2-CG1 4.45Å; F137-I173 HydrophobicContact CE1-CB 4.46Å; F137-I173 HydrophobicContact CE1-CD1 3.52Å; F137-I173 HydrophobicContact CE1-CG1 3.7Å; F137-I173 HydrophobicContact CE1-CG2 4.04Å; F137-I173 HydrophobicContact CE2-CD1 4.03Å; F137-I173 HydrophobicContact CE2-CG1 4.29Å; F137-I173 HydrophobicContact CG-CG1 4.27Å; F137-I173 HydrophobicContact CZ-CD1 3.41Å; F137-I173 VanDerWaalsContact CZ-CD1 3.41Å; F137-I173 HydrophobicContact CZ-CG1 3.92Å; F154-I173 WeakPolarHBondContact CA-O 3.24Å; D155-I173 PolarHBondContact N-O 2.96Å; D155-I173 PolarHBondContact O-N 3.01Å; V157-I173 HydrophobicContact CB-CD1 4.37Å; V157-I173 HydrophobicContact CG2-CB 4.15Å; V157-I173 HydrophobicContact CG2-CD1 3.5Å; V157-I173 HydrophobicContact CG2-CG1 3.67Å
174C94.6Very high84.2Confident0 Ų059.8 Ų59.80%029%0.294CS..EExtended strand (participates in β ladder)trans-104.4126.3163.3-178.70000108.1Y127 F135 I136 V153 F154 H179Y127-C174 PolarHBondContact OH-O 3.01Å; F135-C174 WeakPolarHBondContact CA-O 3.45Å; I136-C174 HydrophobicContact CB-CB 4.25Å; I136-C174 PolarHBondContact N-O 2.98Å; I136-C174 PolarHBondContact O-N 2.97Å; V153-C174 PolarHBondContact O-SG 3.24Å; F154-C174 HydrophobicContact CD1-CB 3.77Å; F154-C174 HydrophobicContact CE1-CB 3.56Å; F154-C174 HydrophobicContact CE2-CB 4.48Å; F154-C174 HydrophobicContact CG-CB 4.32Å; F154-C174 HydrophobicContact CZ-CB 3.94Å; C174-H179 PolarHBondContact SG-NE2 3.17Å; C174-H179 VanDerWaalsContact SG-NE2 3.36Å
175H91.8Very high85.3Confident39 Ų3956.7 Ų56.718%0.18128%0.275CS..EExtended strand (participates in β ladder)trans-95.3137.6179-67-85.1000111.2F135 H177 S178F135-H175 AromaticContact CD1-CE1 3.99Å; F135-H175 AromaticContact CD1-ND1 3.64Å; F135-H175 AromaticContact CE1-CE1 3.82Å; F135-H175 AromaticContact CE1-ND1 3.54Å; H175-H177 VanDerWaalsContact C-N 3.27Å; H175-H177 WeakPolarHBondContact CB-CE1 3.37Å; H175-H177 AromaticContact CG-CE1 3.52Å; H175-H177 AromaticContact CG-NE2 3.88Å; H175-H177 AromaticContact ND1-CE1 3.63Å; H175-H177 PolarHBondContact O-N 3.04Å; H175-S178 WeakPolarHBondContact O-CB 3.4Å; H175-S178 PolarHBondContact O-N 3.41Å
176R90.4Very high86.5Confident6 Ų650.6 Ų50.62%0.02325%0.251CS..G310 helixtrans-57.6-39.7175.6-178.8164.2179.1-179.5-1.7113.1Y127 P131 L133 H134 S178 H179 Y180 A401Y127-R176 HydrophobicContact CD1-CB 3.76Å; Y127-R176 HydrophobicContact CD1-CG 3.76Å; Y127-R176 HydrophobicContact CD2-CG 4.44Å; Y127-R176 HydrophobicContact CE1-CB 3.6Å; Y127-R176 HydrophobicContact CE1-CG 4.16Å; Y127-R176 HydrophobicContact CE2-CB 4.44Å; Y127-R176 HydrophobicContact CG-CB 4.24Å; Y127-R176 HydrophobicContact CG-CG 3.93Å; Y127-R176 PolarHBondContact O-NH2 3.45Å; Y127-R176 PolarHBondContact OH-N 2.88Å; P131-R176 VanDerWaalsContact C-NH1 3.3Å; P131-R176 PolarHBondContact O-NH1 3.22Å; L133-R176 WeakPolarHBondContact O-CD 3.35Å; L133-R176 PolarHBondContact O-NH1 3.22Å; H134-R176 WeakPolarHBondContact O-CB 3.39Å; H134-R176 PolarHBondContact O-N 3.07Å; R176-S178 PolarHBondContact O-N 3.16Å; R176-S178 VanDerWaalsContact O-N 3.16Å; R176-H179 PolarHBondContact O-N 3.34Å; R176-Y180 PolarHBondContact O-N 3.42Å; R176-A401 PolarHBondContact NH2-O 3.31Å
177H86.4Confident87.8Confident121 Ų12145.3 Ų45.356%0.5623%0.225SC*.G310 helixtrans-63.3-22-176.359.1-108.8000113.3H175 H179 Y180H175-H177 VanDerWaalsContact C-N 3.27Å; H175-H177 WeakPolarHBondContact CB-CE1 3.37Å; H175-H177 AromaticContact CG-CE1 3.52Å; H175-H177 AromaticContact CG-NE2 3.88Å; H175-H177 AromaticContact ND1-CE1 3.63Å; H175-H177 PolarHBondContact O-N 3.04Å; H177-H179 PolarHBondContact O-N 3.11Å; H177-Y180 VanDerWaalsContact CA-O 3.3Å; H177-Y180 WeakPolarHBondContact CA-O 3.22Å
178S84.5Confident88.5Confident76 Ų7641.7 Ų41.753%0.53121%0.21SC..G310 helixtrans-70.2-19.5172.9-51.40000113H175 R176H175-S178 WeakPolarHBondContact O-CB 3.4Å; H175-S178 PolarHBondContact O-N 3.41Å; R176-S178 PolarHBondContact O-N 3.16Å; R176-S178 VanDerWaalsContact O-N 3.16Å
179H83.3Confident88.9Confident26 Ų2644.4 Ų44.412%0.1221%0.213CC..THydrogen-bonded Turntrans-111.4-33.2179.3-66.5-89.3000113.3R124 Y127 C174 R176 H177R124-H179 HydrophobicContact CG-CB 4.21Å; Y127-H179 HydrophobicContact CD2-CB 4.4Å; C174-H179 PolarHBondContact SG-NE2 3.17Å; C174-H179 VanDerWaalsContact SG-NE2 3.36Å; R176-H179 PolarHBondContact O-N 3.34Å; H177-H179 PolarHBondContact O-N 3.11Å
180Y78.6Confident88.8Confident27 Ų2747.4 Ų47.411%0.10623%0.232CC..SBendtrans-135.7107.7178.2-69.8-82.6000109.9R124 R176 H177 K398R124-Y180 HydrophobicContact CB-CE2 4.14Å; R124-Y180 HydrophobicContact CG-CE2 4.19Å; R124-Y180 WeakPolarHBondContact O-CE2 3.43Å; R124-Y180 PolarHBondContact O-OH 2.66Å; R176-Y180 PolarHBondContact O-N 3.42Å; H177-Y180 VanDerWaalsContact CA-O 3.3Å; H177-Y180 WeakPolarHBondContact CA-O 3.22Å; Y180-K398 WeakPolarHBondContact CE1-O 3.25Å
181P79.4Confident88.7Confident54 Ų5454.6 Ų54.635%0.35127%0.265SS..PPolyproline II helixtrans-60.7146.9178.927-33.9000110.5L183 V234 Y399P181-L183 PolarHBondContact O-N 3.03Å; P181-V234 HydrophobicContact CG-CG1 4.02Å; P181-V234 HydrophobicContact CG-CG2 4.47Å; P181-Y399 HydrophobicContact CG-CE1 4.19Å
182Q82.1Confident88.6Confident147 Ų14754.9 Ų54.969%0.68727%0.266SS*.PPolyproline II helixtrans-64.6130.5169.8172.7163.36.100109
183L86.8Confident88.2Confident7 Ų755.5 Ų55.54%0.03727%0.269CS..PPolyproline II helixtrans-74.1131.3-179.8-62.9-177.5000109.7P181 C232 V234 V239 I395 Y399 R402 D405P181-L183 PolarHBondContact O-N 3.03Å; L183-C232 HydrophobicContact CB-CB 4.11Å; L183-C232 HydrophobicContact CD1-CB 4.14Å; L183-V234 HydrophobicContact CD2-CG2 3.41Å; L183-V234 VanDerWaalsContact CD2-CG2 3.41Å; L183-V239 HydrophobicContact CD2-CG2 4.16Å; L183-I395 HydrophobicContact CD1-CD1 4.04Å; L183-Y399 HydrophobicContact CD2-CD1 3.88Å; L183-Y399 HydrophobicContact CD2-CG 4.16Å; L183-R402 HydrophobicContact CD1-CB 3.51Å; L183-R402 HydrophobicContact CG-CB 3.81Å; L183-R402 HydrophobicContact CG-CG 4.48Å; L183-D405 HydrophobicContact CB-CB 4.37Å; L183-D405 PolarHBondContact N-OD2 3.15Å
184H89.9Confident87.8Confident112 Ų11261.1 Ų61.152%0.51930%0.299SS..EExtended strand (participates in β ladder)trans-87.7122.4170.2-173.763.8000108.7C232 E233H184-C232 CarbonylContact O-C 3.56Å; H184-C232 VanDerWaalsContact O-CA 3.29Å; H184-C232 WeakPolarHBondContact O-CA 3.49Å; H184-E233 HydrophobicContact CB-CG 4.18Å; H184-E233 IonicContact CD2-OE1 2.73Å; H184-E233 PolarHBondContact CD2-OE1 3.48Å; H184-E233 PolarHBondContact N-O 3.12Å; H184-E233 PolarHBondContact O-N 3.4Å
185V92.9Very high87.6Confident17 Ų1764.1 Ų64.110%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-106.9128.7-176.3-173.40000109.3V230 V231 C232 D405 F406 F409V185-V230 HydrophobicContact CG1-CG1 3.26Å; V185-V231 WeakPolarHBondContact CA-O 3.12Å; V185-C232 HydrophobicContact CG2-CB 4.31Å; V185-D405 HydrophobicContact CG2-CB 4.4Å; V185-F406 HydrophobicContact CG1-CD1 4.01Å; V185-F406 HydrophobicContact CG1-CE1 4.43Å; V185-F409 HydrophobicContact CB-CB 4.04Å; V185-F409 HydrophobicContact CB-CG 4.31Å; V185-F409 HydrophobicContact CG1-CB 3.64Å; V185-F409 HydrophobicContact CG1-CD1 3.87Å; V185-F409 HydrophobicContact CG1-CG 3.8Å
186R93.8Very high87.3Confident27 Ų2762.2 Ų62.210%0.10231%0.306CS..EExtended strand (participates in β ladder)trans-145.3170.1179.363.2162.4175.7791.7111.6D192 V230 V231 E233R186-D192 IonicContact CZ-OD1 2.8Å; R186-D192 IonicContact CZ-OD2 3.99Å; R186-D192 IonicContact NH1-OD1 2.69Å; R186-D192 IonicContact NH1-OD2 3.93Å; R186-D192 PolarHBondContact NH1-OD2 2.99Å; R186-D192 IonicContact NH2-OD1 3.34Å; R186-D192 PolarHBondContact NH2-OD1 3.38Å; R186-D192 IonicContact NH2-OD2 2.7Å; R186-D192 PolarHBondContact NH2-OD2 2.87Å; R186-V230 WeakPolarHBondContact O-CA 3.25Å; R186-V230 WeakPolarHBondContact O-CG1 3.37Å; R186-V231 HydrophobicContact CG-CG2 3.88Å; R186-V231 PolarHBondContact N-O 3.15Å; R186-V231 PolarHBondContact O-N 2.99Å; R186-E233 IonicContact CZ-OE2 3.01Å; R186-E233 VanDerWaalsContact CZ-OE2 3.25Å; R186-E233 IonicContact NE-OE1 3.87Å; R186-E233 IonicContact NE-OE2 2.76Å; R186-E233 PolarHBondContact NE-OE2 3.12Å; R186-E233 IonicContact NH2-OE2 3.7Å; R186-E233 PolarHBondContact NH2-OE2 3.44Å
187K92.2Very high87Confident99 Ų9963.1 Ų63.143%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-61.6140.7169.1-67.7-168.3175.6-168.20110.8F409K187-F409 HydrophobicContact CG-CE1 4.27Å; K187-F409 HydrophobicContact CG-CZ 4.19Å
188A92Very high86.9Confident7 Ų760.8 Ų60.86%0.05831%0.306CS..  trans-69.3148.1177.300000111.2I220 Q223 A229 V231 F241A188-I220 HydrophobicContact CB-CD1 4.23Å; A188-I220 HydrophobicContact CB-CG1 3.93Å; A188-I220 HydrophobicContact CB-CG2 4Å; A188-Q223 PolarHBondContact O-NE2 3.42Å; A188-A229 HydrophobicContact CB-CB 3.77Å; A188-A229 WeakPolarHBondContact CB-O 3.48Å; A188-A229 PolarHBondContact N-O 3.17Å; A188-V231 HydrophobicContact CB-CG1 3.76Å; A188-F241 HydrophobicContact CB-CE2 4.08Å
189R91.9Very high86.9Confident144 Ų14457.6 Ų57.654%0.54328%0.283SS..  trans-123.1153.6175.1-60.6173.6-174170.84.4108.5E191 D192R189-E191 PolarHBondContact O-N 3.26Å; R189-E191 VanDerWaalsContact O-N 3.14Å; R189-D192 PolarHBondContact N-OD2 2.76Å; R189-D192 VanDerWaalsContact O-CB 3.29Å; R189-D192 WeakPolarHBondContact O-CB 3.5Å; R189-D192 PolarHBondContact O-N 3.02Å
190V86.9Confident86.6Confident66 Ų6656.9 Ų56.940%0.428%0.28SS..G310 helixtrans-58.3-31.5-178.5-174.30000111.7D192 H193 A217 I220 E221V190-D192 PolarHBondContact O-N 3.3Å; V190-H193 WeakPolarHBondContact O-CB 3.5Å; V190-H193 PolarHBondContact O-N 2.87Å; V190-H193 VanDerWaalsContact O-N 3.16Å; V190-A217 HydrophobicContact CG1-CB 4.33Å; V190-I220 HydrophobicContact CG2-CG2 4.31Å; V190-E221 HydrophobicContact CG2-CG 3.56Å
191E87.3Confident86.4Confident155 Ų15558.5 Ų58.572%0.72429%0.289SS*.G310 helixtrans-59.8-27.1174.5-63.1171-174.700113.6R189 H193R189-E191 PolarHBondContact O-N 3.26Å; R189-E191 VanDerWaalsContact O-N 3.14Å; E191-H193 PolarHBondContact O-N 3.05Å
192D89Confident86.1Confident7 Ų764.5 Ų64.54%0.03731%0.305CS..G310 helixtrans-71-12.6-179.9-57.9-43.4000112R186 R189 V190 D194 D195 L196 V231 A238R186-D192 IonicContact CZ-OD1 2.8Å; R186-D192 IonicContact CZ-OD2 3.99Å; R186-D192 IonicContact NH1-OD1 2.69Å; R186-D192 IonicContact NH1-OD2 3.93Å; R186-D192 PolarHBondContact NH1-OD2 2.99Å; R186-D192 IonicContact NH2-OD1 3.34Å; R186-D192 PolarHBondContact NH2-OD1 3.38Å; R186-D192 IonicContact NH2-OD2 2.7Å; R186-D192 PolarHBondContact NH2-OD2 2.87Å; R189-D192 PolarHBondContact N-OD2 2.76Å; R189-D192 VanDerWaalsContact O-CB 3.29Å; R189-D192 WeakPolarHBondContact O-CB 3.5Å; R189-D192 PolarHBondContact O-N 3.02Å; V190-D192 PolarHBondContact O-N 3.3Å; D192-D194 VanDerWaalsContact C-N 3.32Å; D192-D194 PolarHBondContact O-N 2.9Å; D192-D195 PolarHBondContact O-N 3.37Å; D192-L196 HydrophobicContact CB-CD1 4.15Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CD1 3.27Å; D192-L196 VanDerWaalsContact O-CG 3.23Å; D192-L196 WeakPolarHBondContact O-CG 3.32Å; D192-L196 PolarHBondContact O-N 2.94Å; D192-L196 VanDerWaalsContact O-N 3.12Å; D192-V231 HydrophobicContact CB-CG1 4.25Å; D192-A238 HydrophobicContact CB-CB 4.02Å
193H85.3Confident85.2Confident27 Ų2763.8 Ų63.813%0.12530%0.297CS..Hα-helixtrans-52-47.9178.9169.3-86.3000112.6V190 E191 D195 L196 M197V190-H193 WeakPolarHBondContact O-CB 3.5Å; V190-H193 PolarHBondContact O-N 2.87Å; V190-H193 VanDerWaalsContact O-N 3.16Å; E191-H193 PolarHBondContact O-N 3.05Å; H193-D195 VanDerWaalsContact C-N 3.31Å; H193-D195 PolarHBondContact O-N 3.46Å; H193-L196 PolarHBondContact O-N 3.46Å; H193-M197 WeakPolarHBondContact NE2-CE 3.24Å; H193-M197 WeakPolarHBondContact O-CB 3.36Å; H193-M197 PolarHBondContact O-N 2.91Å
194D85.5Confident84Confident120 Ų12066.1 Ų66.164%0.64231%0.309SS*.Hα-helixtrans-70-31-172.6-68-15.5000112.2D192 P198D192-D194 VanDerWaalsContact C-N 3.32Å; D192-D194 PolarHBondContact O-N 2.9Å; D194-P198 WeakPolarHBondContact O-CD 3.29Å
195D88.8Confident82.4Confident62 Ų6264.9 Ų64.933%0.33231%0.31SS..Hα-helixtrans-74.1-37175.7-74.4-15.2000111.9D192 H193 P198 T237 A238D192-D195 PolarHBondContact O-N 3.37Å; H193-D195 VanDerWaalsContact C-N 3.31Å; H193-D195 PolarHBondContact O-N 3.46Å; D195-P198 WeakPolarHBondContact O-CD 3.25Å; D195-T237 HydrophobicContact CB-CG2 4.27Å; D195-A238 HydrophobicContact CB-CB 3.96Å; D195-A238 PolarHBondContact OD2-N 2.84Å; D195-A238 VanDerWaalsContact OD2-N 3.07Å
196L86.3Confident80.8Confident0 Ų068.8 Ų68.80%033%0.329CS..Hα-helixtrans-83.6-31.8-175-67.3171.5000113.1D192 H193 I199 F200 L216 V231 A238 F241D192-L196 HydrophobicContact CB-CD1 4.15Å; D192-L196 WeakPolarHBondContact O-CB 3.36Å; D192-L196 WeakPolarHBondContact O-CD1 3.27Å; D192-L196 VanDerWaalsContact O-CG 3.23Å; D192-L196 WeakPolarHBondContact O-CG 3.32Å; D192-L196 PolarHBondContact O-N 2.94Å; D192-L196 VanDerWaalsContact O-N 3.12Å; H193-L196 PolarHBondContact O-N 3.46Å; L196-I199 HydrophobicContact CD2-CD1 4.36Å; L196-I199 WeakPolarHBondContact O-CA 3.4Å; L196-I199 VanDerWaalsContact O-CB 3.32Å; L196-I199 WeakPolarHBondContact O-CB 3.43Å; L196-I199 PolarHBondContact O-N 3.04Å; L196-F200 HydrophobicContact CB-CD2 4.39Å; L196-F200 HydrophobicContact CB-CE2 4.42Å; L196-F200 WeakPolarHBondContact O-CD2 3.18Å; L196-F200 PolarHBondContact O-N 2.94Å; L196-L216 HydrophobicContact CB-CD2 3.64Å; L196-L216 HydrophobicContact CD1-CD2 4Å; L196-V231 HydrophobicContact CD1-CG1 3.85Å; L196-A238 HydrophobicContact CD2-CB 4.01Å; L196-A238 HydrophobicContact CG-CB 4.09Å; L196-F241 HydrophobicContact CD1-CB 3.9Å; L196-F241 HydrophobicContact CD1-CD2 3.58Å; L196-F241 HydrophobicContact CD1-CE2 4.44Å; L196-F241 HydrophobicContact CD1-CG 4.04Å; L196-F241 HydrophobicContact CD2-CB 3.88Å; L196-F241 HydrophobicContact CG-CB 4.49Å
197M83.8Confident79.3Confident25 Ų2569.3 Ų69.312%0.12333%0.334CS..Hα-helixtrans-57.8-43.2-176-164.257.468.200113.3H193 I199 F200 M201 F215 L216H193-M197 WeakPolarHBondContact NE2-CE 3.24Å; H193-M197 WeakPolarHBondContact O-CB 3.36Å; H193-M197 PolarHBondContact O-N 2.91Å; M197-I199 PolarHBondContact O-N 3.19Å; M197-F200 PolarHBondContact O-N 3.26Å; M197-M201 HydrophobicContact CG-CE 3.83Å; M197-M201 HydrophobicContact CG-CG 4.34Å; M197-M201 VanDerWaalsContact O-CG 3.24Å; M197-M201 WeakPolarHBondContact O-CG 3.41Å; M197-M201 PolarHBondContact O-N 3.19Å; M197-M201 HydrophobicContact SD-CE 3.21Å; M197-M201 WeakPolarHBondContact SD-CE 3.36Å; M197-F215 HydrophobicContact CE-CE1 4.16Å; M197-F215 HydrophobicContact SD-CE1 4.39Å; M197-L216 HydrophobicContact CE-CB 4.12Å; M197-L216 HydrophobicContact CE-CD2 4.4Å
198P84.3Confident77.8Confident71 Ų7168.1 Ų68.146%0.46133%0.328SS..Hα-helixtrans-59.8-30.9173.7-23.934.2000113.9D194 D195 R202D194-P198 WeakPolarHBondContact O-CD 3.29Å; D195-P198 WeakPolarHBondContact O-CD 3.25Å; P198-R202 WeakPolarHBondContact O-CG 3.32Å; P198-R202 PolarHBondContact O-N 2.85Å
199I84.3Confident76.4Confident10 Ų1075.4 Ų75.45%0.05136%0.361CS..Hα-helixtrans-69.8-50.4176.9-55.3176000108.6L196 M197 M201 R202 Y203 C394 D396L196-I199 HydrophobicContact CD2-CD1 4.36Å; L196-I199 WeakPolarHBondContact O-CA 3.4Å; L196-I199 VanDerWaalsContact O-CB 3.32Å; L196-I199 WeakPolarHBondContact O-CB 3.43Å; L196-I199 PolarHBondContact O-N 3.04Å; M197-I199 PolarHBondContact O-N 3.19Å; I199-M201 PolarHBondContact O-N 2.95Å; I199-R202 PolarHBondContact O-N 2.88Å; I199-Y203 HydrophobicContact CG2-CD2 4.19Å; I199-Y203 HydrophobicContact CG2-CE2 3.86Å; I199-Y203 WeakPolarHBondContact O-CD2 3.37Å; I199-C394 HydrophobicContact CG2-CB 4.42Å; I199-D396 HydrophobicContact CD1-CB 4.2Å
200F78.4Confident74.9Confident11 Ų1172.5 Ų72.55%0.04836%0.359CS..Hα-helixtrans-58.6-43.7176.8-82.3-75.9000113L196 M197 R202 Y203 D204 L207 L216 F241 L392 C394L196-F200 HydrophobicContact CB-CD2 4.39Å; L196-F200 HydrophobicContact CB-CE2 4.42Å; L196-F200 WeakPolarHBondContact O-CD2 3.18Å; L196-F200 PolarHBondContact O-N 2.94Å; M197-F200 PolarHBondContact O-N 3.26Å; F200-R202 PolarHBondContact O-N 2.86Å; F200-Y203 PolarHBondContact O-N 3.43Å; F200-D204 PolarHBondContact O-N 3.32Å; F200-L207 HydrophobicContact CD1-CD1 4.24Å; F200-L216 HydrophobicContact CD2-CD2 4.02Å; F200-L216 HydrophobicContact CE2-CD1 3.94Å; F200-L216 HydrophobicContact CE2-CD2 3.87Å; F200-L216 HydrophobicContact CZ-CD1 4.35Å; F200-F241 HydrophobicContact CE2-CB 4.31Å; F200-F241 HydrophobicContact CE2-CD1 4.32Å; F200-F241 HydrophobicContact CE2-CG 4.47Å; F200-F241 HydrophobicContact CZ-CB 4.46Å; F200-F241 AromaticContact CZ-CD1 3.98Å; F200-F241 HydrophobicContact CZ-CD1 3.98Å; F200-L392 HydrophobicContact CE1-CD1 4.45Å; F200-L392 HydrophobicContact CE1-CD2 3.57Å; F200-L392 HydrophobicContact CE1-CG 3.99Å; F200-L392 HydrophobicContact CE2-CD2 4.41Å; F200-L392 HydrophobicContact CZ-CD2 3.37Å; F200-L392 HydrophobicContact CZ-CG 4.11Å; F200-C394 HydrophobicContact CD1-CB 4.29Å; F200-C394 HydrophobicContact CE1-CB 3.77Å; F200-C394 HydrophobicContact CE2-CB 4.2Å; F200-C394 WeakPolarHBondContact CE2-SG 3.47Å; F200-C394 HydrophobicContact CZ-CB 3.71Å; F200-C394 WeakPolarHBondContact CZ-SG 3.28Å
201M74.4Confident73.9Confident61 Ų6176.7 Ų76.730%0.337%0.369SS..Hα-helixtrans-64.1-21.2-179.8-67-6414700113.9M197 I199 K208M197-M201 HydrophobicContact CG-CE 3.83Å; M197-M201 HydrophobicContact CG-CG 4.34Å; M197-M201 VanDerWaalsContact O-CG 3.24Å; M197-M201 WeakPolarHBondContact O-CG 3.41Å; M197-M201 PolarHBondContact O-N 3.19Å; M197-M201 HydrophobicContact SD-CE 3.21Å; M197-M201 WeakPolarHBondContact SD-CE 3.36Å; I199-M201 PolarHBondContact O-N 2.95Å; M201-K208 HydrophobicContact CE-CB 3.85Å; M201-K208 HydrophobicContact CE-CD 3.55Å; M201-K208 HydrophobicContact CE-CG 3.76Å; M201-K208 HydrophobicContact SD-CB 4.43Å; M201-K208 HydrophobicContact SD-CD 3.9Å
202R71.3Confident72.9Confident179 Ų17970.8 Ų70.868%0.67535%0.35SS*.Hα-helixtrans-76.2-29.3173.2-76.4179.1-175.4162.57.6112.8P198 I199 F200 D396P198-R202 WeakPolarHBondContact O-CG 3.32Å; P198-R202 PolarHBondContact O-N 2.85Å; I199-R202 PolarHBondContact O-N 2.88Å; F200-R202 PolarHBondContact O-N 2.86Å; R202-D396 IonicContact NH1-OD2 3.55Å
203Y64.8Low71.9Confident133 Ų13375.7 Ų75.752%0.52237%0.373SS..Hα-helixtrans-98.4-36.3-173.5-68.9-70.9000112.8I199 F200 I395I199-Y203 HydrophobicContact CG2-CD2 4.19Å; I199-Y203 HydrophobicContact CG2-CE2 3.86Å; I199-Y203 WeakPolarHBondContact O-CD2 3.37Å; F200-Y203 PolarHBondContact O-N 3.43Å; Y203-I395 PolarHBondContact OH-O 3.49Å
204D61.3Low71.3Confident56 Ų5681.9 Ų81.930%0.29940%0.396SS..  trans-156.2114.3-175.2-162.3-8.6000113.2F200 I206 L207F200-D204 PolarHBondContact O-N 3.32Å; D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 WeakPolarHBondContact OD1-CA 3.4Å; D204-I206 WeakPolarHBondContact OD1-CB 3.33Å; D204-I206 WeakPolarHBondContact OD1-CG1 3.42Å; D204-I206 PolarHBondContact OD1-N 2.84Å; D204-L207 HydrophobicContact CB-CD1 4.14Å; D204-L207 HydrophobicContact CB-CG 4.34Å
205T57.2Low71.1Confident86 Ų8677.1 Ų77.153%0.52837%0.37SS..SBendtrans-80.3-17.2172.253.40000112.5K208 E209T205-K208 PolarHBondContact O-N 2.76Å; T205-E209 PolarHBondContact O-N 3.4Å
206I58.4Low70.7Confident99 Ų9974.1 Ų74.151%0.50835%0.354SS..Hα-helixtrans-72.9-35.4-174.9-56.4169.3000111D204 K208 E209 T210D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 WeakPolarHBondContact OD1-CA 3.4Å; D204-I206 WeakPolarHBondContact OD1-CB 3.33Å; D204-I206 WeakPolarHBondContact OD1-CG1 3.42Å; D204-I206 PolarHBondContact OD1-N 2.84Å; I206-K208 VanDerWaalsContact C-N 3.27Å; I206-K208 PolarHBondContact O-N 2.89Å; I206-E209 PolarHBondContact O-N 2.95Å; I206-E209 VanDerWaalsContact O-N 3.14Å; I206-T210 WeakPolarHBondContact O-CB 3.48Å; I206-T210 PolarHBondContact O-N 2.79Å; I206-T210 PolarHBondContact O-OG1 2.98Å
207L62.4Low70.6Confident38 Ų3874.8 Ų74.820%0.19936%0.36CS..Hα-helixtrans-59.2-39.5176.7-73.1171.3000111.9F200 D204 T210 Y211 F215 L392F200-L207 HydrophobicContact CD1-CD1 4.24Å; D204-L207 HydrophobicContact CB-CD1 4.14Å; D204-L207 HydrophobicContact CB-CG 4.34Å; L207-T210 PolarHBondContact O-N 2.84Å; L207-Y211 HydrophobicContact CD2-CD2 4.12Å; L207-Y211 HydrophobicContact CD2-CE2 3.98Å; L207-Y211 PolarHBondContact O-N 3.01Å; L207-F215 HydrophobicContact CB-CZ 4.48Å; L207-L392 HydrophobicContact CD1-CD1 4.43Å
208K61.5Low70.5Confident74 Ų7479.5 Ų79.532%0.32238%0.381SS..Hα-helixtrans-64.8-42.7175.1-163.6-168.8-176.7174.90111.8M201 T205 I206 T210 G212 E213M201-K208 HydrophobicContact CE-CB 3.85Å; M201-K208 HydrophobicContact CE-CD 3.55Å; M201-K208 HydrophobicContact CE-CG 3.76Å; M201-K208 HydrophobicContact SD-CB 4.43Å; M201-K208 HydrophobicContact SD-CD 3.9Å; T205-K208 PolarHBondContact O-N 2.76Å; I206-K208 VanDerWaalsContact C-N 3.27Å; I206-K208 PolarHBondContact O-N 2.89Å; K208-T210 VanDerWaalsContact C-N 3.32Å; K208-G212 CarbonylContact O-C 3.54Å; K208-G212 VanDerWaalsContact O-CA 3.27Å; K208-G212 WeakPolarHBondContact O-CA 3.25Å; K208-G212 PolarHBondContact O-N 2.94Å; K208-E213 WeakPolarHBondContact CE-OE1 3.33Å; K208-E213 IonicContact NZ-OE1 2.72Å; K208-E213 PolarHBondContact NZ-OE1 3.4Å
209E61.7Low70.5Confident159 Ų15978.5 Ų78.574%0.74337%0.372SS*.Hα-helixtrans-68.5-32.2178.5-69.5-179.617300112.2T205 I206T205-E209 PolarHBondContact O-N 3.4Å; I206-E209 PolarHBondContact O-N 2.95Å; I206-E209 VanDerWaalsContact O-N 3.14Å
210T60.2Low70.7Confident83 Ų8378.2 Ų78.251%0.50937%0.37SS..Hα-helixtrans-84.3-42.7-175-52.20000112.7I206 L207 K208I206-T210 WeakPolarHBondContact O-CB 3.48Å; I206-T210 PolarHBondContact O-N 2.79Å; I206-T210 PolarHBondContact O-OG1 2.98Å; L207-T210 PolarHBondContact O-N 2.84Å; K208-T210 VanDerWaalsContact C-N 3.32Å
211Y65Low71.1Confident154 Ų15484.3 Ų84.360%0.60440%0.399SS*.Hα-helixtrans-114.30.2-172-59.1-77.1000113.9L207 F215L207-Y211 HydrophobicContact CD2-CD2 4.12Å; L207-Y211 HydrophobicContact CD2-CE2 3.98Å; L207-Y211 PolarHBondContact O-N 3.01Å; Y211-F215 VanDerWaalsContact CB-CB 3.45Å
212G67.2Low71.5Confident32 Ų3284.5 Ų84.533%0.3341%0.41SS..  trans84.3177.1178.100000114.1K208 Y214 F215K208-G212 CarbonylContact O-C 3.54Å; K208-G212 VanDerWaalsContact O-CA 3.27Å; K208-G212 WeakPolarHBondContact O-CA 3.25Å; K208-G212 PolarHBondContact O-N 2.94Å; G212-Y214 VanDerWaalsContact C-N 3.27Å; G212-Y214 PolarHBondContact O-N 2.84Å; G212-F215 WeakPolarHBondContact O-CD1 3.32Å
213E67.2Low72.2Confident110 Ų11078.5 Ų78.551%0.51439%0.39SS..THydrogen-bonded Turntrans-72.3-16.7-174.1-56.9-155128.900114.3K208K208-E213 WeakPolarHBondContact CE-OE1 3.33Å; K208-E213 IonicContact NZ-OE1 2.72Å; K208-E213 PolarHBondContact NZ-OE1 3.4Å
214Y73.5Confident73.3Confident157 Ų15776 Ų7662%0.61639%0.385SS*.THydrogen-bonded Turntrans-110.86.7-173.1-58.6-70.5000114.2G212 L216 A217 E218G212-Y214 VanDerWaalsContact C-N 3.27Å; G212-Y214 PolarHBondContact O-N 2.84Å; Y214-L216 PolarHBondContact O-N 2.83Å; Y214-L216 VanDerWaalsContact O-N 3.12Å; Y214-A217 PolarHBondContact O-N 2.83Å; Y214-E218 PolarHBondContact O-N 3.09Å
215F80.9Confident74.4Confident19 Ų1982 Ų828%0.08341%0.411CS..Hα-helixtrans-54.3-38.6-173.481.7-86.8000113.4M197 L207 Y211 G212 L219 L392M197-F215 HydrophobicContact CE-CE1 4.16Å; M197-F215 HydrophobicContact SD-CE1 4.39Å; L207-F215 HydrophobicContact CB-CZ 4.48Å; Y211-F215 VanDerWaalsContact CB-CB 3.45Å; G212-F215 WeakPolarHBondContact O-CD1 3.32Å; F215-L219 WeakPolarHBondContact O-CB 3.2Å; F215-L219 PolarHBondContact O-N 3.05Å; F215-L392 HydrophobicContact CE2-CD2 4.2Å
216L81.3Confident75.8Confident0 Ų081 Ų810%040%0.401CS..Hα-helixtrans-72.1-37.8-178-172.966.4000111.2L196 M197 F200 Y214 L219 I220 F241 L392L196-L216 HydrophobicContact CB-CD2 3.64Å; L196-L216 HydrophobicContact CD1-CD2 4Å; M197-L216 HydrophobicContact CE-CB 4.12Å; M197-L216 HydrophobicContact CE-CD2 4.4Å; F200-L216 HydrophobicContact CD2-CD2 4.02Å; F200-L216 HydrophobicContact CE2-CD1 3.94Å; F200-L216 HydrophobicContact CE2-CD2 3.87Å; F200-L216 HydrophobicContact CZ-CD1 4.35Å; Y214-L216 PolarHBondContact O-N 2.83Å; Y214-L216 VanDerWaalsContact O-N 3.12Å; L216-L219 PolarHBondContact O-N 3.35Å; L216-I220 HydrophobicContact CG-CD1 4.09Å; L216-I220 WeakPolarHBondContact O-CB 3.33Å; L216-I220 WeakPolarHBondContact O-CD1 3.43Å; L216-I220 WeakPolarHBondContact O-CG1 3.21Å; L216-I220 PolarHBondContact O-N 2.69Å; L216-F241 HydrophobicContact CD1-CD1 4.01Å; L216-F241 HydrophobicContact CD1-CD2 4.28Å; L216-F241 HydrophobicContact CD1-CE1 3.66Å; L216-F241 HydrophobicContact CD1-CE2 3.96Å; L216-F241 HydrophobicContact CD1-CG 4.3Å; L216-F241 HydrophobicContact CD1-CZ 3.63Å; L216-L392 HydrophobicContact CD1-CD2 4.34Å
217A82.9Confident77.4Confident14 Ų1478.3 Ų78.312%0.11639%0.387CS..Hα-helixtrans-65.9-44.9175.100000110.8V190 Y214 L219 I220 E221V190-A217 HydrophobicContact CG1-CB 4.33Å; Y214-A217 PolarHBondContact O-N 2.83Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 2.87Å; A217-I220 PolarHBondContact O-N 2.92Å; A217-E221 WeakPolarHBondContact O-CG 3.43Å; A217-E221 PolarHBondContact O-N 2.91Å
218E83.5Confident78.8Confident123 Ų12377.2 Ų77.258%0.57538%0.382SS*.Hα-helixtrans-59.6-41.8175.6-68.8179.8-179.500111.8Y214 I220 E221 A222Y214-E218 PolarHBondContact O-N 3.09Å; E218-I220 PolarHBondContact O-N 2.78Å; E218-E221 PolarHBondContact O-N 2.64Å; E218-A222 VanDerWaalsContact O-CB 3.23Å; E218-A222 WeakPolarHBondContact O-CB 3.09Å; E218-A222 PolarHBondContact O-N 3.22Å
219L84.3Confident80.3Confident50 Ų5073.7 Ų73.726%0.26237%0.366SS..Hα-helixtrans-68.7-33.8178.6-165.7146.5000112.4F215 L216 A217 A229 F241 S243F215-L219 WeakPolarHBondContact O-CB 3.2Å; F215-L219 PolarHBondContact O-N 3.05Å; L216-L219 PolarHBondContact O-N 3.35Å; A217-L219 VanDerWaalsContact C-N 3.32Å; A217-L219 PolarHBondContact O-N 2.87Å; L219-A229 HydrophobicContact CD2-CB 4.32Å; L219-F241 HydrophobicContact CD2-CE1 4.09Å; L219-F241 HydrophobicContact CD2-CZ 3.65Å; L219-S243 WeakPolarHBondContact CD2-OG 3.5Å
220I87.1Confident81.9Confident5 Ų566.1 Ų66.13%0.02633%0.331CS..Hα-helixtrans-72.6-36.1173.8-67.7166.1000111.3A188 V190 L216 A217 E218 Q223 A229 F241A188-I220 HydrophobicContact CB-CD1 4.23Å; A188-I220 HydrophobicContact CB-CG1 3.93Å; A188-I220 HydrophobicContact CB-CG2 4Å; V190-I220 HydrophobicContact CG2-CG2 4.31Å; L216-I220 HydrophobicContact CG-CD1 4.09Å; L216-I220 WeakPolarHBondContact O-CB 3.33Å; L216-I220 WeakPolarHBondContact O-CD1 3.43Å; L216-I220 WeakPolarHBondContact O-CG1 3.21Å; L216-I220 PolarHBondContact O-N 2.69Å; A217-I220 PolarHBondContact O-N 2.92Å; E218-I220 PolarHBondContact O-N 2.78Å; I220-Q223 VanDerWaalsContact O-CG 3.32Å; I220-Q223 WeakPolarHBondContact O-CG 3.35Å; I220-Q223 PolarHBondContact O-NE2 3.08Å; I220-A229 HydrophobicContact CG1-CB 4.19Å; I220-F241 HydrophobicContact CD1-CE2 4.04Å; I220-F241 HydrophobicContact CG1-CE2 3.78Å; I220-F241 HydrophobicContact CG1-CZ 4.22Å
221E86.5Confident83.5Confident139 Ų13962.2 Ų62.265%0.6531%0.307SS*.Hα-helixtrans-71.6-33.4176.4-74.5-174.9175.500112.6V190 A217 E218 Q223V190-E221 HydrophobicContact CG2-CG 3.56Å; A217-E221 WeakPolarHBondContact O-CG 3.43Å; A217-E221 PolarHBondContact O-N 2.91Å; E218-E221 PolarHBondContact O-N 2.64Å; E221-Q223 PolarHBondContact O-N 3.39Å; E221-Q223 VanDerWaalsContact O-N 3.11Å
222A83Confident84.8Confident65 Ų6554.9 Ų54.954%0.53728%0.278SS..THydrogen-bonded Turntrans-78.619.3-177.800000115.1E218E218-A222 VanDerWaalsContact O-CB 3.23Å; E218-A222 WeakPolarHBondContact O-CB 3.09Å; E218-A222 PolarHBondContact O-N 3.22Å
223Q87.2Confident85.9Confident53 Ų5355.3 Ų55.325%0.24827%0.271CS..  trans-69.2129.9177-70.3179.480.200111.6A188 I220 E221 N227 A229A188-Q223 PolarHBondContact O-NE2 3.42Å; I220-Q223 VanDerWaalsContact O-CG 3.32Å; I220-Q223 WeakPolarHBondContact O-CG 3.35Å; I220-Q223 PolarHBondContact O-NE2 3.08Å; E221-Q223 PolarHBondContact O-N 3.39Å; E221-Q223 VanDerWaalsContact O-N 3.11Å; Q223-N227 WeakPolarHBondContact CA-O 3.48Å; Q223-A229 HydrophobicContact CG-CB 3.86Å; Q223-A229 VanDerWaalsContact OE1-N 3.07Å; Q223-A229 PolarHBondContact OE1-O 3.22Å
224D87.8Confident86.9Confident79 Ų7951.4 Ų51.442%0.42226%0.255SS..  trans-136.4-157.4178.163.221.8000111.1E226 N227 H228D224-E226 VanDerWaalsContact C-N 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.11Å; D224-E226 PolarHBondContact OD1-N 3.36Å; D224-N227 PolarHBondContact N-O 3.42Å; D224-N227 WeakPolarHBondContact OD1-CB 3.43Å; D224-N227 PolarHBondContact OD1-N 3.29Å; D224-N227 PolarHBondContact OD1-ND2 3.11Å; D224-N227 VanDerWaalsContact OD1-ND2 3.07Å; D224-N227 PolarHBondContact OD2-ND2 3.33Å; D224-N227 VanDerWaalsContact OD2-ND2 3.16Å; D224-H228 PolarHBondContact O-CE1 3.12Å; D224-H228 PolarHBondContact O-ND1 3.41Å; D224-H228 VanDerWaalsContact O-ND1 3.07Å
225E83.8Confident87.5Confident182 Ų18249.1 Ų49.185%0.8527%0.269SS*.SBendtrans-72.5-23.5176.8-66.9-174175.200113.3
226E86.5Confident87.6Confident67 Ų6750.8 Ų50.831%0.31329%0.291SS..SBendtrans-103.5-24.9-175.9-65.1-173.1152.400112.4D224 C245 S246 R247D224-E226 VanDerWaalsContact C-N 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.11Å; D224-E226 PolarHBondContact OD1-N 3.36Å; E226-C245 CarbonylContact O-C 3.58Å; E226-C245 VanDerWaalsContact O-CA 3.28Å; E226-C245 WeakPolarHBondContact O-CA 3.37Å; E226-S246 WeakPolarHBondContact CA-OG 3.27Å; E226-S246 WeakPolarHBondContact CB-OG 3.48Å; E226-S246 WeakPolarHBondContact CG-OG 3.35Å; E226-S246 PolarHBondContact O-N 2.81Å; E226-R247 IonicContact OE2-CZ 2.76Å; E226-R247 IonicContact OE2-NE 3.53Å; E226-R247 PolarHBondContact OE2-NE 3.04Å; E226-R247 IonicContact OE2-NH2 3.48Å; E226-R247 PolarHBondContact OE2-NH2 2.92Å
227N91Very high87.9Confident41 Ų4154 Ų5422%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-120.5126.1-175.1-57.3-67.9000110.6Q223 D224 V244 C245Q223-N227 WeakPolarHBondContact CA-O 3.48Å; D224-N227 PolarHBondContact N-O 3.42Å; D224-N227 WeakPolarHBondContact OD1-CB 3.43Å; D224-N227 PolarHBondContact OD1-N 3.29Å; D224-N227 PolarHBondContact OD1-ND2 3.11Å; D224-N227 VanDerWaalsContact OD1-ND2 3.07Å; D224-N227 PolarHBondContact OD2-ND2 3.33Å; D224-N227 VanDerWaalsContact OD2-ND2 3.16Å; N227-V244 WeakPolarHBondContact CA-O 3.39Å; N227-C245 PolarHBondContact OD1-SG 3.07Å
228H92.9Very high88.3Confident16 Ų1653.5 Ų53.57%0.07431%0.306CS..EExtended strand (participates in β ladder)trans-132.5144.2177.8-57.9-46.1000111.5D224 S243 V244 L413 F414D224-H228 PolarHBondContact O-CE1 3.12Å; D224-H228 PolarHBondContact O-ND1 3.41Å; D224-H228 VanDerWaalsContact O-ND1 3.07Å; H228-S243 WeakPolarHBondContact O-CA 3.41Å; H228-V244 HydrophobicContact CB-CG2 3.86Å; H228-V244 PolarHBondContact N-O 3.27Å; H228-V244 PolarHBondContact O-N 3.42Å; H228-L413 HydrophobicContact CB-CD1 3.88Å; H228-F414 AromaticContact CD2-CE1 3.93Å; H228-F414 AromaticContact CD2-CE2 3.93Å; H228-F414 AromaticContact CD2-CZ 3.49Å; H228-F414 VanDerWaalsContact CD2-CZ 3.49Å; H228-F414 WeakPolarHBondContact CD2-CZ 3.3Å
229A93.4Very high88.7Confident0 Ų048.3 Ų48.30%028%0.283CS..EExtended strand (participates in β ladder)trans-115.4128.2173.300000108.7A188 L219 I220 Q223 F241A188-A229 HydrophobicContact CB-CB 3.77Å; A188-A229 WeakPolarHBondContact CB-O 3.48Å; A188-A229 PolarHBondContact N-O 3.17Å; L219-A229 HydrophobicContact CD2-CB 4.32Å; I220-A229 HydrophobicContact CG1-CB 4.19Å; Q223-A229 HydrophobicContact CG-CB 3.86Å; Q223-A229 VanDerWaalsContact OE1-N 3.07Å; Q223-A229 PolarHBondContact OE1-O 3.22Å; A229-F241 HydrophobicContact CB-CE2 3.84Å; A229-F241 HydrophobicContact CB-CZ 3.86Å
230V94.3Very high89.1Confident0 Ų045.9 Ų45.90%027%0.27CS..EExtended strand (participates in β ladder)trans-127.1136.6-171.2-175.20000108.8V185 R186 F241 M242 F406 F409 V410 L413V185-V230 HydrophobicContact CG1-CG1 3.26Å; R186-V230 WeakPolarHBondContact O-CA 3.25Å; R186-V230 WeakPolarHBondContact O-CG1 3.37Å; V230-F241 CarbonylContact O-C 3.55Å; V230-F241 WeakPolarHBondContact O-CA 3.38Å; V230-M242 PolarHBondContact N-O 3.36Å; V230-M242 PolarHBondContact O-N 2.97Å; V230-F406 HydrophobicContact CB-CD1 4.47Å; V230-F406 HydrophobicContact CG1-CD1 3.94Å; V230-F406 HydrophobicContact CG1-CE1 4.12Å; V230-F409 HydrophobicContact CG1-CD1 3.62Å; V230-F409 HydrophobicContact CG1-CE1 3.95Å; V230-F409 HydrophobicContact CG2-CD1 4.16Å; V230-F409 HydrophobicContact CG2-CE1 4.15Å; V230-V410 HydrophobicContact CG2-CG2 4.26Å; V230-L413 HydrophobicContact CG2-CD1 3.86Å
231V94.3Very high89.4Confident0 Ų045.7 Ų45.70%027%0.269CS..EExtended strand (participates in β ladder)trans-119.1151.4174.1-68.10000110.9V185 R186 A188 D192 L196 A238 G240 F241V185-V231 WeakPolarHBondContact CA-O 3.12Å; R186-V231 HydrophobicContact CG-CG2 3.88Å; R186-V231 PolarHBondContact N-O 3.15Å; R186-V231 PolarHBondContact O-N 2.99Å; A188-V231 HydrophobicContact CB-CG1 3.76Å; D192-V231 HydrophobicContact CB-CG1 4.25Å; L196-V231 HydrophobicContact CD1-CG1 3.85Å; V231-A238 HydrophobicContact CB-CB 4.41Å; V231-A238 HydrophobicContact CG1-CB 4.45Å; V231-G240 VanDerWaalsContact CA-O 3.24Å; V231-G240 WeakPolarHBondContact CA-O 3.45Å; V231-F241 HydrophobicContact CG1-CD2 3.82Å
232C92.6Very high89.7Confident0 Ų039 Ų390%024%0.238CC..EExtended strand (participates in β ladder)trans-104.1134161.365.50000109.7L183 H184 V185 V239 G240 F406L183-C232 HydrophobicContact CB-CB 4.11Å; L183-C232 HydrophobicContact CD1-CB 4.14Å; H184-C232 CarbonylContact O-C 3.56Å; H184-C232 VanDerWaalsContact O-CA 3.29Å; H184-C232 WeakPolarHBondContact O-CA 3.49Å; V185-C232 HydrophobicContact CG2-CB 4.31Å; C232-V239 PolarHBondContact O-N 3.08Å; C232-G240 PolarHBondContact N-O 2.96Å; C232-G240 PolarHBondContact O-N 3.33Å; C232-G240 WeakPolarHBondContact SG-CA 3.5Å; C232-G240 PolarHBondContact SG-N 2.83Å; C232-G240 VanDerWaalsContact SG-N 3.35Å; C232-F406 HydrophobicContact CB-CE1 4.18Å; C232-F406 HydrophobicContact CB-CE2 3.91Å; C232-F406 HydrophobicContact CB-CZ 3.58Å; C232-F406 VanDerWaalsContact SG-CE2 3.55Å; C232-F406 WeakPolarHBondContact SG-CZ 3.14Å
233E90.9Very high90.2Very high42 Ų4236 Ų3620%0.19621%0.213CC..EExtended strand (participates in β ladder)trans-120.6146.8-179.970.3-178.6-169.800112.1H184 R186 T237H184-E233 HydrophobicContact CB-CG 4.18Å; H184-E233 IonicContact CD2-OE1 2.73Å; H184-E233 PolarHBondContact CD2-OE1 3.48Å; H184-E233 PolarHBondContact N-O 3.12Å; H184-E233 PolarHBondContact O-N 3.4Å; R186-E233 IonicContact CZ-OE2 3.01Å; R186-E233 VanDerWaalsContact CZ-OE2 3.25Å; R186-E233 IonicContact NE-OE1 3.87Å; R186-E233 IonicContact NE-OE2 2.76Å; R186-E233 PolarHBondContact NE-OE2 3.12Å; R186-E233 IonicContact NH2-OE2 3.7Å; R186-E233 PolarHBondContact NH2-OE2 3.44Å; E233-T237 WeakPolarHBondContact CA-O 3.26Å; E233-T237 WeakPolarHBondContact CB-O 3.3Å
234V88.1Confident90.5Very high27 Ų2733.5 Ų33.516%0.16420%0.202CC..EExtended strand (participates in β ladder)trans-128.3121.5172.1177.40000107.5P181 L183 G236 T237 V239 Y399P181-V234 HydrophobicContact CG-CG1 4.02Å; P181-V234 HydrophobicContact CG-CG2 4.47Å; L183-V234 HydrophobicContact CD2-CG2 3.41Å; L183-V234 VanDerWaalsContact CD2-CG2 3.41Å; V234-G236 PolarHBondContact O-N 2.96Å; V234-G236 VanDerWaalsContact O-N 3.15Å; V234-T237 PolarHBondContact N-O 3.37Å; V234-T237 PolarHBondContact O-N 3.31Å; V234-T237 VanDerWaalsContact O-N 3.16Å; V234-V239 HydrophobicContact CB-CG1 4.36Å; V234-V239 HydrophobicContact CB-CG2 4.47Å; V234-V239 HydrophobicContact CG2-CG2 3.84Å; V234-Y399 HydrophobicContact CG2-CD1 4.33Å; V234-Y399 HydrophobicContact CG2-CE1 3.92Å
235A84.6Confident90.8Very high110 Ų11030 Ų3091%0.90918%0.183SC*.THydrogen-bonded Turntrans5331.8-178.400000114.5
236G83Confident91.1Very high53 Ų5322.5 Ų22.555%0.54615%0.151SC..THydrogen-bonded Turntrans881.3177.600000115.7V234V234-G236 PolarHBondContact O-N 2.96Å; V234-G236 VanDerWaalsContact O-N 3.15Å
237T89.1Confident91.2Very high69 Ų6927.9 Ų27.942%0.42317%0.168SC..EExtended strand (participates in β ladder)trans-104.3133.7174.3-58.10000109.9D195 E233 V234 V239D195-T237 HydrophobicContact CB-CG2 4.27Å; E233-T237 WeakPolarHBondContact CA-O 3.26Å; E233-T237 WeakPolarHBondContact CB-O 3.3Å; V234-T237 PolarHBondContact N-O 3.37Å; V234-T237 PolarHBondContact O-N 3.31Å; V234-T237 VanDerWaalsContact O-N 3.16Å; T237-V239 PolarHBondContact O-N 3Å
238A91.4Very high91.2Very high2 Ų227.3 Ų27.32%0.01717%0.166CC..EExtended strand (participates in β ladder)trans-72.6124.6175.500000110.6D192 D195 L196 V231D192-A238 HydrophobicContact CB-CB 4.02Å; D195-A238 HydrophobicContact CB-CB 3.96Å; D195-A238 PolarHBondContact OD2-N 2.84Å; D195-A238 VanDerWaalsContact OD2-N 3.07Å; L196-A238 HydrophobicContact CD2-CB 4.01Å; L196-A238 HydrophobicContact CG-CB 4.09Å; V231-A238 HydrophobicContact CB-CB 4.41Å; V231-A238 HydrophobicContact CG1-CB 4.45Å
239V91.4Very high91Very high14 Ų1431.4 Ų31.49%0.08519%0.188CC..EExtended strand (participates in β ladder)trans-118.40.7-175.8-60.40000113.4L183 C232 V234 T237 D396 Y399L183-V239 HydrophobicContact CD2-CG2 4.16Å; C232-V239 PolarHBondContact O-N 3.08Å; V234-V239 HydrophobicContact CB-CG1 4.36Å; V234-V239 HydrophobicContact CB-CG2 4.47Å; V234-V239 HydrophobicContact CG2-CG2 3.84Å; T237-V239 PolarHBondContact O-N 3Å; V239-D396 PolarHBondContact O-N 2.92Å; V239-Y399 HydrophobicContact CB-CD2 3.79Å; V239-Y399 HydrophobicContact CB-CE2 3.95Å; V239-Y399 HydrophobicContact CG1-CD2 4.2Å; V239-Y399 HydrophobicContact CG1-CE2 3.82Å; V239-Y399 HydrophobicContact CG2-CD2 3.82Å; V239-Y399 HydrophobicContact CG2-CE2 4.17Å; V239-Y399 HydrophobicContact CG2-CG 4.22Å
240G91.7Very high90.9Very high0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-171159.9174.600000112V231 C232 C394V231-G240 VanDerWaalsContact CA-O 3.24Å; V231-G240 WeakPolarHBondContact CA-O 3.45Å; C232-G240 PolarHBondContact N-O 2.96Å; C232-G240 PolarHBondContact O-N 3.33Å; C232-G240 WeakPolarHBondContact SG-CA 3.5Å; C232-G240 PolarHBondContact SG-N 2.83Å; C232-G240 VanDerWaalsContact SG-N 3.35Å; G240-C394 CarbonylContact C-O 3.32Å; G240-C394 VanDerWaalsContact CA-O 3.24Å; G240-C394 WeakPolarHBondContact CA-O 3.36Å
241F93.1Very high90.6Very high0 Ų038.9 Ų38.90%022%0.224CC..EExtended strand (participates in β ladder)trans-141.4141.7-171-178.8-96.1000111.1A188 L196 F200 L216 L219 I220 A229 V230 V231 L392 F393 C394A188-F241 HydrophobicContact CB-CE2 4.08Å; L196-F241 HydrophobicContact CD1-CB 3.9Å; L196-F241 HydrophobicContact CD1-CD2 3.58Å; L196-F241 HydrophobicContact CD1-CE2 4.44Å; L196-F241 HydrophobicContact CD1-CG 4.04Å; L196-F241 HydrophobicContact CD2-CB 3.88Å; L196-F241 HydrophobicContact CG-CB 4.49Å; F200-F241 HydrophobicContact CE2-CB 4.31Å; F200-F241 HydrophobicContact CE2-CD1 4.32Å; F200-F241 HydrophobicContact CE2-CG 4.47Å; F200-F241 HydrophobicContact CZ-CB 4.46Å; F200-F241 AromaticContact CZ-CD1 3.98Å; F200-F241 HydrophobicContact CZ-CD1 3.98Å; L216-F241 HydrophobicContact CD1-CD1 4.01Å; L216-F241 HydrophobicContact CD1-CD2 4.28Å; L216-F241 HydrophobicContact CD1-CE1 3.66Å; L216-F241 HydrophobicContact CD1-CE2 3.96Å; L216-F241 HydrophobicContact CD1-CG 4.3Å; L216-F241 HydrophobicContact CD1-CZ 3.63Å; L219-F241 HydrophobicContact CD2-CE1 4.09Å; L219-F241 HydrophobicContact CD2-CZ 3.65Å; I220-F241 HydrophobicContact CD1-CE2 4.04Å; I220-F241 HydrophobicContact CG1-CE2 3.78Å; I220-F241 HydrophobicContact CG1-CZ 4.22Å; A229-F241 HydrophobicContact CB-CE2 3.84Å; A229-F241 HydrophobicContact CB-CZ 3.86Å; V230-F241 CarbonylContact O-C 3.55Å; V230-F241 WeakPolarHBondContact O-CA 3.38Å; V231-F241 HydrophobicContact CG1-CD2 3.82Å; F241-L392 HydrophobicContact CD1-CD2 3.94Å; F241-L392 HydrophobicContact CE1-CB 4.37Å; F241-L392 HydrophobicContact CE1-CD2 3.73Å; F241-F393 WeakPolarHBondContact O-CA 3.26Å; F241-C394 PolarHBondContact N-O 3.4Å; F241-C394 PolarHBondContact O-N 3Å
242M93.6Very high90.3Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-141.1123.8173.5-170.2-179-72.400110V230 V244 I390 L392 F393 F406 M407 V410 L433V230-M242 PolarHBondContact N-O 3.36Å; V230-M242 PolarHBondContact O-N 2.97Å; M242-V244 HydrophobicContact CG-CG1 3.96Å; M242-V244 HydrophobicContact SD-CG1 4.07Å; M242-I390 HydrophobicContact CE-CD1 4.17Å; M242-I390 HydrophobicContact CG-CG1 4.42Å; M242-I390 HydrophobicContact CG-CG2 4.01Å; M242-I390 HydrophobicContact SD-CD1 4.02Å; M242-I390 HydrophobicContact SD-CG1 4.09Å; M242-L392 CarbonylContact C-O 3.5Å; M242-L392 WeakPolarHBondContact CA-O 3.47Å; M242-F393 HydrophobicContact CB-CD2 4.37Å; M242-F393 HydrophobicContact CE-CD2 3.56Å; M242-F393 HydrophobicContact CE-CE2 3.8Å; M242-F393 HydrophobicContact CG-CD2 4.4Å; M242-F406 HydrophobicContact CB-CD1 3.8Å; M242-F406 HydrophobicContact CB-CE1 3.89Å; M242-F406 HydrophobicContact CB-CG 4.47Å; M242-F406 HydrophobicContact CE-CB 3.53Å; M242-F406 HydrophobicContact CE-CD1 4.22Å; M242-F406 HydrophobicContact CE-CD2 4.22Å; M242-F406 HydrophobicContact CE-CG 3.76Å; M242-F406 HydrophobicContact SD-CB 4.1Å; M242-F406 HydrophobicContact SD-CD1 4.42Å; M242-F406 HydrophobicContact SD-CG 4.43Å; M242-M407 HydrophobicContact CE-SD 4.47Å; M242-V410 HydrophobicContact SD-CG2 3.85Å; M242-L433 HydrophobicContact CE-CD2 3.67Å
243S92.8Very high90.1Very high2 Ų242.8 Ų42.81%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-102.9132.3170.8169.80000109.8L219 H228 I390 Q391 L392L219-S243 WeakPolarHBondContact CD2-OG 3.5Å; H228-S243 WeakPolarHBondContact O-CA 3.41Å; S243-I390 WeakPolarHBondContact O-CA 3.27Å; S243-Q391 PolarHBondContact O-N 3.08Å; S243-Q391 PolarHBondContact OG-OE1 2.98Å; S243-L392 PolarHBondContact N-O 2.79Å
244V94.3Very high90.1Very high0 Ų042.9 Ų42.90%024%0.244CC..EExtended strand (participates in β ladder)trans-133.6145.6-175.7-66.30000111.9N227 H228 M242 F388 C389 I390 V410 F414N227-V244 WeakPolarHBondContact CA-O 3.39Å; H228-V244 HydrophobicContact CB-CG2 3.86Å; H228-V244 PolarHBondContact N-O 3.27Å; H228-V244 PolarHBondContact O-N 3.42Å; M242-V244 HydrophobicContact CG-CG1 3.96Å; M242-V244 HydrophobicContact SD-CG1 4.07Å; V244-F388 HydrophobicContact CB-CD2 4.29Å; V244-F388 HydrophobicContact CG1-CD2 4.47Å; V244-F388 HydrophobicContact CG1-CE2 4.31Å; V244-C389 CarbonylContact C-O 3.59Å; V244-C389 WeakPolarHBondContact CA-O 3.38Å; V244-I390 HydrophobicContact CG1-CG1 4.05Å; V244-V410 HydrophobicContact CB-CG1 4.41Å; V244-V410 HydrophobicContact CG1-CG1 3.85Å; V244-V410 HydrophobicContact CG1-CG2 4.48Å; V244-V410 HydrophobicContact CG2-CG1 4.24Å; V244-F414 HydrophobicContact CB-CE2 4.1Å; V244-F414 HydrophobicContact CG2-CE2 3.67Å; V244-F414 HydrophobicContact CG2-CZ 4.3Å
245C93.3Very high89.9Confident4 Ų445.9 Ų45.93%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-139.1136.2-176.9-178.80000111.8E226 N227 R247 F388 C389 Q391E226-C245 CarbonylContact O-C 3.58Å; E226-C245 VanDerWaalsContact O-CA 3.28Å; E226-C245 WeakPolarHBondContact O-CA 3.37Å; N227-C245 PolarHBondContact OD1-SG 3.07Å; C245-R247 PolarHBondContact SG-N 3.25Å; C245-F388 CarbonylContact O-C 3.56Å; C245-F388 WeakPolarHBondContact O-CA 3.34Å; C245-F388 WeakPolarHBondContact O-CB 3.4Å; C245-C389 PolarHBondContact N-O 3.18Å; C245-C389 PolarHBondContact O-N 3.42Å; C245-C389 PolarHBondContact O-SG 2.81Å; C245-Q391 VanDerWaalsContact CB-CD 3.48Å; C245-Q391 HydrophobicContact CB-CG 4.02Å; C245-Q391 VanDerWaalsContact CB-NE2 3.25Å
246S91.3Very high89.9Confident25 Ų2541 Ų4118%0.17522%0.216CC..SBendtrans-79.6-13.9175.864.90000114.1E226 V248E226-S246 WeakPolarHBondContact CA-OG 3.27Å; E226-S246 WeakPolarHBondContact CB-OG 3.48Å; E226-S246 WeakPolarHBondContact CG-OG 3.35Å; E226-S246 PolarHBondContact O-N 2.81Å; S246-V248 PolarHBondContact O-N 2.83Å
247R88.6Confident90.1Very high181 Ų18138.8 Ų38.868%0.68319%0.191SC*.  trans-79.2100178.9-65.9-172.4170.5177.46.3111.4E226 C245E226-R247 IonicContact OE2-CZ 2.76Å; E226-R247 IonicContact OE2-NE 3.53Å; E226-R247 PolarHBondContact OE2-NE 3.04Å; E226-R247 IonicContact OE2-NH2 3.48Å; E226-R247 PolarHBondContact OE2-NH2 2.92Å; C245-R247 PolarHBondContact SG-N 3.25Å
248V89.8Confident89.9Confident29 Ų2938.7 Ų38.718%0.17619%0.188CC..  trans-114.6131175.4-179.20000110.3S246 M250 L253 C389 I421S246-V248 PolarHBondContact O-N 2.83Å; V248-M250 VanDerWaalsContact C-N 3.31Å; V248-M250 HydrophobicContact CB-SD 4.17Å; V248-M250 HydrophobicContact CG1-SD 3.65Å; V248-M250 PolarHBondContact O-N 2.79Å; V248-L253 HydrophobicContact CG1-CD1 3.6Å; V248-C389 HydrophobicContact CG2-CB 4.13Å; V248-I421 HydrophobicContact CB-CD1 4.39Å; V248-I421 HydrophobicContact CG1-CD1 3.49Å; V248-I421 VanDerWaalsContact CG1-CD1 3.49Å; V248-I421 HydrophobicContact CG2-CD1 3.94Å; V248-I421 HydrophobicContact CG2-CG1 4.47Å
249N89.9Confident89.8Confident101 Ų10138.8 Ų38.854%0.5419%0.188SC..  trans-77.182.2172.4-172.6-17.5000110.4Q251 L252 L253N249-Q251 VanDerWaalsContact C-N 3.29Å; N249-Q251 PolarHBondContact O-N 2.81Å; N249-Q251 PolarHBondContact OD1-N 2.93Å; N249-L252 HydrophobicContact CB-CB 4.28Å; N249-L252 PolarHBondContact O-N 3.18Å; N249-L252 PolarHBondContact OD1-N 3.17Å; N249-L252 VanDerWaalsContact OD1-N 3.12Å; N249-L253 WeakPolarHBondContact O-CG 3.39Å; N249-L253 PolarHBondContact O-N 3.01Å
250M90Very high89.5Confident24 Ų2439.7 Ų39.712%0.11820%0.201CC..Hα-helixtrans-60.2-36.8-178.2-68.9-50.4-54.500113.2V248 L252 L253 H254 G264 L265 A387V248-M250 VanDerWaalsContact C-N 3.31Å; V248-M250 HydrophobicContact CB-SD 4.17Å; V248-M250 HydrophobicContact CG1-SD 3.65Å; V248-M250 PolarHBondContact O-N 2.79Å; M250-L252 PolarHBondContact O-N 3.11Å; M250-L253 PolarHBondContact O-N 2.88Å; M250-L253 VanDerWaalsContact O-N 3.16Å; M250-L253 HydrophobicContact SD-CD1 4.38Å; M250-H254 VanDerWaalsContact O-CG 3.31Å; M250-H254 PolarHBondContact O-N 2.87Å; M250-H254 PolarHBondContact O-ND1 3.1Å; M250-G264 WeakPolarHBondContact CE-O 3.45Å; M250-L265 HydrophobicContact CE-CB 3.77Å; M250-L265 HydrophobicContact CE-CD1 4.28Å; M250-L265 HydrophobicContact CE-CG 4.42Å; M250-A387 HydrophobicContact SD-CB 4.49Å
251Q88Confident89Confident133 Ų13343.4 Ų43.462%0.62123%0.225SC*.Hα-helixtrans-60.1-47.6-179.8-176.4180-7.800111.2N249 L253 H254 E255N249-Q251 VanDerWaalsContact C-N 3.29Å; N249-Q251 PolarHBondContact O-N 2.81Å; N249-Q251 PolarHBondContact OD1-N 2.93Å; Q251-L253 VanDerWaalsContact C-N 3.3Å; Q251-L253 PolarHBondContact O-N 3.18Å; Q251-H254 PolarHBondContact O-N 3.11Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.45Å; Q251-E255 PolarHBondContact NE2-OE1 3.04Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 2.84Å
252L88.4Confident88.7Confident65 Ų6544 Ų4434%0.3423%0.227SC..Hα-helixtrans-60.5-40.9176.3-179.764.9000111.6N249 M250 E255 C256 L448N249-L252 HydrophobicContact CB-CB 4.28Å; N249-L252 PolarHBondContact O-N 3.18Å; N249-L252 PolarHBondContact OD1-N 3.17Å; N249-L252 VanDerWaalsContact OD1-N 3.12Å; M250-L252 PolarHBondContact O-N 3.11Å; L252-E255 PolarHBondContact O-N 3.18Å; L252-C256 WeakPolarHBondContact O-CB 2.94Å; L252-C256 PolarHBondContact O-N 2.8Å; L252-C256 VanDerWaalsContact O-N 3.08Å; L252-C256 PolarHBondContact O-SG 2.76Å; L252-L448 HydrophobicContact CD2-CD1 4.44Å; L252-L448 HydrophobicContact CD2-CD2 4.38Å; L252-L448 HydrophobicContact CG-CD1 4.36Å
253L89.5Confident88.5Confident17 Ų1746.1 Ų46.19%0.08924%0.237CC..Hα-helixtrans-66.7-41.2179.2-60.2-175.4000112.3V248 N249 M250 Q251 E255 C256 F257 L259 L265 I421 L452V248-L253 HydrophobicContact CG1-CD1 3.6Å; N249-L253 WeakPolarHBondContact O-CG 3.39Å; N249-L253 PolarHBondContact O-N 3.01Å; M250-L253 PolarHBondContact O-N 2.88Å; M250-L253 VanDerWaalsContact O-N 3.16Å; M250-L253 HydrophobicContact SD-CD1 4.38Å; Q251-L253 VanDerWaalsContact C-N 3.3Å; Q251-L253 PolarHBondContact O-N 3.18Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 3.04Å; L253-C256 PolarHBondContact O-N 3.06Å; L253-F257 HydrophobicContact CD2-CD2 4.14Å; L253-F257 HydrophobicContact CD2-CE2 4.11Å; L253-F257 PolarHBondContact O-N 3.33Å; L253-L259 HydrophobicContact CB-CD1 3.95Å; L253-L265 HydrophobicContact CD1-CD1 4.39Å; L253-I421 HydrophobicContact CD1-CD1 3.75Å; L253-L452 HydrophobicContact CD1-CD2 4.45Å; L253-L452 HydrophobicContact CD2-CD1 4.35Å; L253-L452 HydrophobicContact CD2-CD2 4.11Å
254H89.4Confident88.3Confident44 Ų4446 Ų4620%0.20424%0.236CC..Hα-helixtrans-64.4-30174.6-65.4153.7000112.6M250 Q251 G264 Y381M250-H254 VanDerWaalsContact O-CG 3.31Å; M250-H254 PolarHBondContact O-N 2.87Å; M250-H254 PolarHBondContact O-ND1 3.1Å; Q251-H254 PolarHBondContact O-N 3.11Å; H254-G264 PolarHBondContact NE2-O 3.19Å; H254-Y381 AromaticContact CD2-CD2 3.88Å; H254-Y381 AromaticContact CE1-CD2 3.9Å; H254-Y381 AromaticContact NE2-CD2 3.6Å
255E84.8Confident88.2Confident91 Ų9146 Ų4643%0.42524%0.236SC..Hα-helixtrans-75.9-30.4176.1-73.1172.8-166.100112.8Q251 L252 L253 R378Q251-E255 WeakPolarHBondContact CG-OE1 3.45Å; Q251-E255 PolarHBondContact NE2-OE1 3.04Å; Q251-E255 WeakPolarHBondContact O-CG 3.47Å; Q251-E255 PolarHBondContact O-N 2.84Å; L252-E255 PolarHBondContact O-N 3.18Å; L253-E255 VanDerWaalsContact C-N 3.26Å; L253-E255 PolarHBondContact O-N 3.04Å; E255-R378 PolarHBondContact O-NH1 3.15Å
256C85.1Confident88.1Confident8 Ų846.2 Ų46.25%0.05424%0.238CC..Hα-helixtrans-103.6-29.2-169.7-75.70000115.7L252 L253 P442 F443 C446 L448L252-C256 WeakPolarHBondContact O-CB 2.94Å; L252-C256 PolarHBondContact O-N 2.8Å; L252-C256 VanDerWaalsContact O-N 3.08Å; L252-C256 PolarHBondContact O-SG 2.76Å; L253-C256 PolarHBondContact O-N 3.06Å; C256-P442 WeakPolarHBondContact O-CA 3.32Å; C256-F443 PolarHBondContact O-N 2.83Å; C256-C446 HydrophobicContact CB-CB 4.31Å; C256-C446 VanDerWaalsContact CB-SG 3.6Å; C256-C446 WeakPolarHBondContact O-CB 3.09Å; C256-L448 HydrophobicContact CB-CD1 3.88Å
257F87.3Confident88.1Confident6 Ų648.9 Ų48.93%0.02625%0.246CC..BIsolated β-bridgetrans-129.3146.9-171.3-60.9-84.3000113.3L253 L259 M440 P442 F443 L448 L452L253-F257 HydrophobicContact CD2-CD2 4.14Å; L253-F257 HydrophobicContact CD2-CE2 4.11Å; L253-F257 PolarHBondContact O-N 3.33Å; F257-L259 HydrophobicContact CB-CD2 3.79Å; F257-L259 HydrophobicContact CB-CG 4.23Å; F257-L259 PolarHBondContact O-N 2.85Å; F257-M440 HydrophobicContact CB-CB 4.36Å; F257-M440 HydrophobicContact CD1-CB 4.1Å; F257-M440 HydrophobicContact CG-CB 4.47Å; F257-P442 HydrophobicContact CD1-CB 4.02Å; F257-P442 HydrophobicContact CE1-CB 4.01Å; F257-F443 WeakPolarHBondContact O-CE2 3.4Å; F257-L448 HydrophobicContact CE2-CD1 3.79Å; F257-L448 HydrophobicContact CZ-CD1 4.25Å; F257-L452 HydrophobicContact CB-CD2 4.31Å; F257-L452 HydrophobicContact CD1-CB 3.99Å; F257-L452 HydrophobicContact CD1-CD2 4.39Å; F257-L452 HydrophobicContact CD2-CB 4.18Å; F257-L452 HydrophobicContact CD2-CD2 3.71Å; F257-L452 HydrophobicContact CE1-CB 3.63Å; F257-L452 HydrophobicContact CE2-CB 3.83Å; F257-L452 HydrophobicContact CE2-CD2 4.08Å; F257-L452 HydrophobicContact CG-CB 4.26Å; F257-L452 HydrophobicContact CG-CD2 3.88Å; F257-L452 HydrophobicContact CZ-CB 3.55Å
258D85.3Confident88.1Confident66 Ų6645.1 Ų45.135%0.35325%0.245SC..  trans-74.194169.3-179.18.5000110.2G260 M440 V441 F443D258-G260 PolarHBondContact OD1-N 3.2Å; D258-M440 WeakPolarHBondContact O-CE 3.48Å; D258-V441 PolarHBondContact N-O 3.22Å; D258-F443 HydrophobicContact CB-CE1 3.84Å; D258-F443 HydrophobicContact CB-CZ 4.01Å
259L88.3Confident88.1Confident4 Ų447.3 Ų47.32%0.02125%0.254CS..  trans-967.9177.2-53.1-174000112.9L253 F257 F262 H263 G264 L265 M440 L452L253-L259 HydrophobicContact CB-CD1 3.95Å; F257-L259 HydrophobicContact CB-CD2 3.79Å; F257-L259 HydrophobicContact CB-CG 4.23Å; F257-L259 PolarHBondContact O-N 2.85Å; L259-F262 CarbonylContact O-C 3.58Å; L259-F262 PolarHBondContact O-N 2.88Å; L259-H263 PolarHBondContact O-N 3.05Å; L259-G264 PolarHBondContact O-N 3.06Å; L259-L265 HydrophobicContact CD1-CD1 3.99Å; L259-L265 HydrophobicContact CD1-CG 4.05Å; L259-M440 HydrophobicContact CD2-CB 4.46Å; L259-M440 HydrophobicContact CD2-CE 3.79Å; L259-M440 HydrophobicContact CD2-CG 4.07Å; L259-L452 HydrophobicContact CD2-CD2 4.08Å
260G84.2Confident87.9Confident34 Ų3448.2 Ų48.235%0.35127%0.265SS..G310 helixtrans-48.3-50.2179.400000113.9D258 F262 H263 Y381D258-G260 PolarHBondContact OD1-N 3.2Å; G260-F262 PolarHBondContact O-N 3.37Å; G260-H263 PolarHBondContact O-N 3.08Å; G260-H263 VanDerWaalsContact O-N 3.08Å; G260-Y381 WeakPolarHBondContact CA-OH 3.29Å
261P82.1Confident87.7Confident77 Ų7751.7 Ų51.750%0.528%0.284SS..G310 helixtrans-60.9-16.9-180-25.435000115.4P565P261-P565 HydrophobicContact CB-CG 4.2Å
262F87.4Confident87.6Confident12 Ų1246.5 Ų46.55%0.05326%0.261CS..G310 helixtrans-118.421.9180-59.5-76.8000112.3L259 G260 G264 L265 F419 V438 M440 P565 I566L259-F262 CarbonylContact O-C 3.58Å; L259-F262 PolarHBondContact O-N 2.88Å; G260-F262 PolarHBondContact O-N 3.37Å; F262-G264 PolarHBondContact O-N 2.79Å; F262-L265 HydrophobicContact CB-CD2 3.8Å; F262-L265 HydrophobicContact CG-CD2 4.43Å; F262-L265 PolarHBondContact O-N 3.47Å; F262-F419 HydrophobicContact CB-CE1 4.03Å; F262-F419 HydrophobicContact CB-CZ 4.2Å; F262-F419 AromaticContact CD1-CE1 3.8Å; F262-F419 HydrophobicContact CD1-CE1 3.8Å; F262-F419 HydrophobicContact CG-CE1 4.27Å; F262-V438 HydrophobicContact CE2-CB 4.44Å; F262-V438 HydrophobicContact CE2-CG1 4.14Å; F262-V438 HydrophobicContact CZ-CB 4.02Å; F262-V438 HydrophobicContact CZ-CG1 4.01Å; F262-V438 HydrophobicContact CZ-CG2 4.08Å; F262-M440 HydrophobicContact CD2-CE 3.57Å; F262-M440 HydrophobicContact CD2-SD 3.75Å; F262-M440 HydrophobicContact CE2-CE 3.7Å; F262-M440 HydrophobicContact CE2-SD 3.46Å; F262-M440 WeakPolarHBondContact CE2-SD 3.44Å; F262-P565 HydrophobicContact CE1-CB 4.04Å; F262-P565 HydrophobicContact CE2-CB 4.37Å; F262-P565 HydrophobicContact CZ-CB 3.66Å; F262-I566 HydrophobicContact CD1-CG1 4.35Å; F262-I566 HydrophobicContact CE1-CG1 4.02Å
263H89Confident87.5Confident45 Ų4546 Ų4621%0.20826%0.26CS..G310 helixtrans52.841.2179-156.680.2000113L259 G260 L265 C266 P268 D272 Y381L259-H263 PolarHBondContact O-N 3.05Å; G260-H263 PolarHBondContact O-N 3.08Å; G260-H263 VanDerWaalsContact O-N 3.08Å; H263-L265 PolarHBondContact O-N 2.92Å; H263-L265 VanDerWaalsContact O-N 3.15Å; H263-C266 PolarHBondContact O-N 3.42Å; H263-C266 VanDerWaalsContact O-N 3.13Å; H263-P268 WeakPolarHBondContact NE2-CA 3.46Å; H263-D272 IonicContact CD2-OD2 2.92Å; H263-D272 IonicContact CE1-OD2 3.38Å; H263-D272 PolarHBondContact CE1-OD2 3.18Å; H263-D272 IonicContact NE2-OD2 3.73Å; H263-D272 PolarHBondContact NE2-OD2 2.98Å; H263-Y381 AromaticContact CD2-CD1 3.93Å; H263-Y381 AromaticContact NE2-CD1 3.93Å; H263-Y381 WeakPolarHBondContact O-CD1 3.48Å
264G88.3Confident87.2Confident0 Ų049 Ų490%028%0.276CS..G310 helixtrans6911.7179.900000115M250 H254 L259 F262 C266 Y381M250-G264 WeakPolarHBondContact CE-O 3.45Å; H254-G264 PolarHBondContact NE2-O 3.19Å; L259-G264 PolarHBondContact O-N 3.06Å; F262-G264 PolarHBondContact O-N 2.79Å; G264-C266 PolarHBondContact O-N 2.91Å; G264-Y381 VanDerWaalsContact CA-CE2 3.43Å
265L92.2Very high86.6Confident0 Ų054.4 Ų54.40%030%0.301CS..G310 helixtrans58.924.9-168.8-42.8171.9000113.3M250 L253 L259 F262 H263 A386 A387 F419 I421 V454M250-L265 HydrophobicContact CE-CB 3.77Å; M250-L265 HydrophobicContact CE-CD1 4.28Å; M250-L265 HydrophobicContact CE-CG 4.42Å; L253-L265 HydrophobicContact CD1-CD1 4.39Å; L259-L265 HydrophobicContact CD1-CD1 3.99Å; L259-L265 HydrophobicContact CD1-CG 4.05Å; F262-L265 HydrophobicContact CB-CD2 3.8Å; F262-L265 HydrophobicContact CG-CD2 4.43Å; F262-L265 PolarHBondContact O-N 3.47Å; H263-L265 PolarHBondContact O-N 2.92Å; H263-L265 VanDerWaalsContact O-N 3.15Å; L265-A386 WeakPolarHBondContact O-CB 3.35Å; L265-A386 PolarHBondContact O-N 3.49Å; L265-A387 HydrophobicContact CB-CB 4.21Å; L265-F419 HydrophobicContact CB-CD2 4.19Å; L265-F419 HydrophobicContact CB-CG 4.48Å; L265-F419 HydrophobicContact CD2-CB 4.29Å; L265-F419 HydrophobicContact CD2-CD1 3.81Å; L265-F419 HydrophobicContact CD2-CD2 4.23Å; L265-F419 HydrophobicContact CD2-CE1 4.13Å; L265-F419 HydrophobicContact CD2-CG 3.85Å; L265-F419 HydrophobicContact CD2-CZ 4.49Å; L265-I421 HydrophobicContact CD1-CG2 3.93Å; L265-V454 HydrophobicContact CD1-CG2 4.34Å; L265-V454 HydrophobicContact CD2-CG1 3.67Å; L265-V454 HydrophobicContact CD2-CG2 4.18Å
266C91.8Very high86Confident9 Ų952.7 Ų52.76%0.06130%0.303CS..BIsolated β-bridgetrans-113.4159.6177.9-66.80000110.8H263 G264 A384H263-C266 PolarHBondContact O-N 3.42Å; H263-C266 VanDerWaalsContact O-N 3.13Å; G264-C266 PolarHBondContact O-N 2.91Å; C266-A384 WeakPolarHBondContact CA-O 3.48Å
267F90.3Very high84.8Confident80 Ų8057.3 Ų57.335%0.35133%0.333SS..  trans-68.3139.8165.4-70.3-75.6000110.3H269 G383 A384 A386 D416 N418F267-H269 PolarHBondContact O-N 3.16Å; F267-G383 WeakPolarHBondContact O-CA 3.42Å; F267-A384 HydrophobicContact CD2-CB 4.5Å; F267-A384 PolarHBondContact N-O 3.43Å; F267-A386 HydrophobicContact CD2-CB 3.82Å; F267-A386 HydrophobicContact CE1-CB 4.35Å; F267-A386 HydrophobicContact CE2-CB 3.54Å; F267-A386 HydrophobicContact CG-CB 4.34Å; F267-A386 HydrophobicContact CZ-CB 3.82Å; F267-D416 VanDerWaalsContact CZ-O 3.26Å; F267-D416 WeakPolarHBondContact CZ-O 3.12Å; F267-N418 WeakPolarHBondContact CE1-ND2 3.44Å
268P88.8Confident82.9Confident102 Ų10265.6 Ų65.666%0.66237%0.372SS*.  trans-58.3135.8176-24.834.2000112.7H263H263-P268 WeakPolarHBondContact NE2-CA 3.46Å
269H89.6Confident80.4Confident75 Ų7571.6 Ų71.635%0.34740%0.398SS..  trans-128.6142.8179.5-166.5-88.9000110.2F267 D271 D272F267-H269 PolarHBondContact O-N 3.16Å; H269-D271 IonicContact CE1-OD2 3.54Å; H269-D271 PolarHBondContact CE1-OD2 3Å; H269-D271 PolarHBondContact ND1-N 2.66Å; H269-D271 IonicContact ND1-OD2 3.98Å; H269-D271 PolarHBondContact O-N 3.26Å; H269-D272 PolarHBondContact N-OD2 2.93Å; H269-D272 VanDerWaalsContact O-CB 3.27Å; H269-D272 WeakPolarHBondContact O-CB 3.24Å; H269-D272 PolarHBondContact O-N 3.08Å
270P85.6Confident77.7Confident120 Ų12079 Ų7978%0.77944%0.436SS*.THydrogen-bonded Turntrans-59.4-28.4-179.122.3-35000114D272P270-D272 VanDerWaalsContact C-N 3.28Å; P270-D272 PolarHBondContact O-N 3.26Å
271D86.3Confident75.1Confident97 Ų9782.9 Ų82.952%0.51946%0.458SS..THydrogen-bonded Turntrans-8710.3177.7-57.7-34.2000114H269H269-D271 IonicContact CE1-OD2 3.54Å; H269-D271 PolarHBondContact CE1-OD2 3Å; H269-D271 PolarHBondContact ND1-N 2.66Å; H269-D271 IonicContact ND1-OD2 3.98Å; H269-D271 PolarHBondContact O-N 3.26Å
272D87.1Confident72.7Confident24 Ų2485.5 Ų85.513%0.12847%0.472CS..  trans-66.5133.8173.9-70.5-23000110.2H263 H269 P270 L274 I380 Y381 R382H263-D272 IonicContact CD2-OD2 2.92Å; H263-D272 IonicContact CE1-OD2 3.38Å; H263-D272 PolarHBondContact CE1-OD2 3.18Å; H263-D272 IonicContact NE2-OD2 3.73Å; H263-D272 PolarHBondContact NE2-OD2 2.98Å; H269-D272 PolarHBondContact N-OD2 2.93Å; H269-D272 VanDerWaalsContact O-CB 3.27Å; H269-D272 WeakPolarHBondContact O-CB 3.24Å; H269-D272 PolarHBondContact O-N 3.08Å; P270-D272 VanDerWaalsContact C-N 3.28Å; P270-D272 PolarHBondContact O-N 3.26Å; D272-L274 HydrophobicContact CB-CD2 4.05Å; D272-L274 HydrophobicContact CB-CG 4.16Å; D272-I380 WeakPolarHBondContact CA-O 3.3Å; D272-Y381 WeakPolarHBondContact OD1-CA 3.38Å; D272-R382 PolarHBondContact OD1-N 3.08Å
273V85.8Confident69.8Low54 Ų5496 Ų9633%0.32751%0.512SS..BIsolated β-bridgetrans-106.194.4176.5-164.80000107.5F377 P379 I380V273-F377 HydrophobicContact CB-CZ 4.3Å; V273-F377 HydrophobicContact CG1-CE2 4.25Å; V273-F377 HydrophobicContact CG1-CZ 3.71Å; V273-F377 WeakPolarHBondContact O-CZ 3.26Å; V273-P379 CarbonylContact O-C 3.47Å; V273-P379 WeakPolarHBondContact O-CA 3.5Å; V273-I380 HydrophobicContact CB-CB 4.35Å; V273-I380 PolarHBondContact N-O 3.3Å; V273-I380 PolarHBondContact O-N 3.32Å
274L82.8Confident66.8Low81 Ų81105.3 Ų105.342%0.42455%0.545SS..  trans-96.8-20.2-173.9-54.9178000113.8D272 F377 P379 Y381D272-L274 HydrophobicContact CB-CD2 4.05Å; D272-L274 HydrophobicContact CB-CG 4.16Å; L274-F377 WeakPolarHBondContact O-CE1 3.41Å; L274-P379 HydrophobicContact CD2-CB 4.29Å; L274-Y381 HydrophobicContact CD2-CD1 4.08Å; L274-Y381 HydrophobicContact CD2-CE1 3.57Å
275E76.7Confident64Low157 Ų157110.4 Ų110.473%0.73458%0.581SS**SBendtrans-122.4148.9179.1-64.1-174.7177.300110.5F377E275-F377 VanDerWaalsContact C-CE1 3.44Å; E275-F377 VanDerWaalsContact O-CZ 3.31Å; E275-F377 WeakPolarHBondContact O-CZ 3.23Å
276A72.6Confident61.1Low56 Ų56118.7 Ų118.746%0.46362%0.619SS.*PPolyproline II helixtrans-60.7133.2172.400000109.4Q278 F377A276-Q278 PolarHBondContact O-N 3.08Å; A276-F377 HydrophobicContact CB-CB 3.97Å; A276-F377 HydrophobicContact CB-CD2 3.79Å; A276-F377 HydrophobicContact CB-CG 3.82Å
277P59.7Low58Low105 Ų105126 Ų12668%0.68266%0.658SS**PPolyproline II helixtrans-54.6119.9171.3-21.531.1000108.8E279P277-E279 PolarHBondContact O-N 2.8Å
278Q46.6Very low55Low180 Ų180126.7 Ų126.784%0.84168%0.678SS**PPolyproline II helixtrans-58.5117171.5-74.3-177.8-1.700107.2A276 L280A276-Q278 PolarHBondContact O-N 3.08Å; Q278-L280 VanDerWaalsContact C-N 3.33Å; Q278-L280 PolarHBondContact O-N 2.85Å
279E34.1Very low52.3Low192 Ų192130.6 Ų130.690%0.89769%0.687SS**  trans-57.5104.7167.4-78.3-171.3162.800106.9P277 S281P277-E279 PolarHBondContact O-N 2.8Å; E279-S281 VanDerWaalsContact C-N 3.28Å; E279-S281 PolarHBondContact O-N 3.41Å
280L31Very low49.4Very low159 Ų159133.8 Ų133.883%0.83271%0.706SS**  trans-54.2101.3165.5-82.4159.5000105.9Q278 V282Q278-L280 VanDerWaalsContact C-N 3.33Å; Q278-L280 PolarHBondContact O-N 2.85Å; L280-V282 VanDerWaalsContact C-N 3.33Å; L280-V282 PolarHBondContact O-N 3.16Å
281S29.6Very low46.7Very low115 Ų115138.3 Ų138.380%0.80471%0.708SS**  trans-46.4105.416756.50000107.1E279 R283E279-S281 VanDerWaalsContact C-N 3.28Å; E279-S281 PolarHBondContact O-N 3.41Å; S281-R283 VanDerWaalsContact C-N 3.33Å; S281-R283 PolarHBondContact O-N 3.04Å
282V31Very low43.8Very low133 Ų133138.4 Ų138.481%0.80672%0.716SS**  trans-61.8104.5-178.4172.70000105.4L280 R284L280-V282 VanDerWaalsContact C-N 3.33Å; L280-V282 PolarHBondContact O-N 3.16Å; V282-R284 VanDerWaalsContact C-N 3.31Å; V282-R284 PolarHBondContact O-N 3.45Å
283R27.2Very low40.9Very low232 Ų232142.6 Ų142.688%0.87575%0.747SS**  trans-52106.1161.2-131.4179.2-174.8-178.81.7104.5S281 S285S281-R283 VanDerWaalsContact C-N 3.33Å; S281-R283 PolarHBondContact O-N 3.04Å; R283-S285 PolarHBondContact O-N 3.38Å
284R25.3Very low38.2Very low241 Ų241144.7 Ų144.791%0.90976%0.764SS**  trans-67.377.4176.5-153.4-176.1-157173.96107.4V282 Q286V282-R284 VanDerWaalsContact C-N 3.31Å; V282-R284 PolarHBondContact O-N 3.45Å; R284-Q286 PolarHBondContact O-N 3.26Å
285S29.4Very low35.6Very low107 Ų107150.3 Ų150.375%0.74879%0.789SS**  trans-72.4115.1157.738.90000106.3R283 D287R283-S285 PolarHBondContact O-N 3.38Å; S285-D287 PolarHBondContact O-N 3.31Å
286Q32.6Very low33.2Very low174 Ų174146.1 Ų146.181%0.81379%0.787SS**  trans-46.6119.7160.8-69166.4-27.400107.9R284R284-Q286 PolarHBondContact O-N 3.26Å
287D27.2Very low30.9Very low162 Ų162149 Ų14987%0.86680%0.804SS**  trans179.4145.5130.6-86.6-25000111S285S285-D287 PolarHBondContact O-N 3.31Å
288A27.1Very low29.3Very low94 Ų94151.7 Ų151.778%0.77781%0.807SS**  trans8086.3168.200000118.4
289E30.5Very low28.2Very low184 Ų184151.3 Ų151.386%0.8680%0.803SS**  -43.7132.3127.5-70.2177.5146.800109.7
290L29.7Very low27.7Very low142 Ų142148.5 Ų148.574%0.74379%0.793SS**  trans172.3114.5134.3-88155.8000110.4
291R28.6Very low27.4Very low215 Ų215146 Ų14681%0.81178%0.783SS**  trans71.2101.6139.8-63.5179.3-178-176.51.8119.7
292S26Very low27Very low100 Ų100148.2 Ų148.270%0.69978%0.781SS**  33.3140.4112.665.30000121
293S25.7Very low26.6Very low111 Ų111149.5 Ų149.578%0.77678%0.779SS**  trans77.2141.1158.875.70000114.7
294S29.5Very low26.4Very low98 Ų98142.8 Ų142.869%0.68577%0.767SS**  cis-177.9153.97.927.80000107.6
295Q27Very low26.2Very low200 Ų200140.2 Ų140.294%0.93577%0.765SS**  trans30.6137.4142.5-66.9-179.9-25.400122.3
296G26.4Very low25.9Very low68 Ų68143.7 Ų143.770%0.70177%0.77SS**  trans124.493.6150.900000112.1
297S24.7Very low25.9Very low117 Ų117140.6 Ų140.682%0.81877%0.765SS**  60.9111.981-59.90000115
298Q25.7Very low25.6Very low162 Ų162138.7 Ų138.776%0.75776%0.759SS**  trans87.9126.8137.1-76-1721.700120.9
299K24.4Very low25.7Very low171 Ų171143.7 Ų143.774%0.74376%0.763SS**  trans77.8145.1138.1-75.5-173.5177.4-178.90116
300I24Very low25.9Very low134 Ų134139.9 Ų139.969%0.68776%0.755SS**  cis170.2146.3-10.2-113176.6000101.6
301V23.6Very low25.6Very low105 Ų105139.8 Ų139.864%0.63676%0.755SS**  trans88.3125.3150.3148.30000121.4
302E22.3Very low25.4Very low162 Ų162135.4 Ų135.476%0.75775%0.752SS**  trans64.5146.2140.3-73.8167.3-164.300119.6
303E22.5Very low25.3Very low161 Ų161138.3 Ų138.375%0.75276%0.756SS**  cis-175.6149.1-18.8-153.5173.8-158.500103.7
304S21.6Very low25.2Very low90 Ų90139.8 Ų139.863%0.62975%0.751SS**  trans50.5124.7150.460.80000120.8
305Q22.3Very low25Very low187 Ų187141.6 Ų141.687%0.87475%0.753SS**  176.5115.3109-93.9170.28.200110.7
306E23.2Very low25Very low180 Ų180140.2 Ų140.284%0.84175%0.751SS**  trans-45.1165.5147-79.3-168.3167.100111.1
307P31.6Very low25Very low109 Ų109146.1 Ų146.171%0.70876%0.76SS**  cis-158.8-169.444.329.6-0.1000117.6
308V21.8Very low25Very low123 Ų123144.2 Ų144.275%0.74576%0.758SS**  trans99.5101.5144.8-164.30000117.7
309F28.4Very low24.9Very low199 Ų199144 Ų14487%0.87376%0.762SS**  trans-73155.7145.9-76-87.1000110.2
310P34.7Very low25Very low104 Ų104143.4 Ų143.468%0.67577%0.766SS**  -152.2144.2102.434.2-14.3000117.4
311D23.7Very low25.1Very low139 Ų139141 Ų14174%0.74377%0.765SS**  65.8140.6124.1-62.7-23.5000126.8
312T24.7Very low25.1Very low123 Ų123144.7 Ų144.776%0.75577%0.773SS**  trans82.5113.9142.236.70000119.6
313M23.5Very low25.3Very low161 Ų161145.6 Ų145.679%0.79378%0.777SS**  57.6134.890.4-82-169.8144.300112.8
314E24.6Very low25.4Very low143 Ų143142.1 Ų142.167%0.66878%0.776SS**  cis-172.7156.224.3-122.6177.5-171.900108.6
315N24.4Very low25.6Very low136 Ų136142.5 Ų142.573%0.72779%0.785SS**  trans44.2139.7147.6-73.3-28.9000123.8
316I28Very low25.7Very low171 Ų171138.1 Ų138.188%0.87778%0.775SS**  -173.5141.6122.7-89.2150.6000111.3
317Q25.4Very low25.8Very low192 Ų192137.5 Ų137.590%0.89777%0.772SS**  trans-74.4152.6-178.6-97.9157.7-44.400116.7
318G23.9Very low25.6Very low76 Ų76140.8 Ų140.878%0.78478%0.778SS**  trans88.8152.4133.500000118.4
319N25.3Very low25.7Very low157 Ų157138.9 Ų138.984%0.8478%0.775SS**  cis-176.5171.2-18.4-148.40.9000106.7
320I25.4Very low25.5Very low160 Ų160136.8 Ų136.882%0.82177%0.772SS**  trans91.4133.4163-53.2169.8000116.7
321A25.5Very low24.9Very low82 Ų82137.5 Ų137.568%0.67878%0.775SS**  cis-177.7172.8-12.800000111.3
322K25.1Very low25Very low183 Ų183135.2 Ų135.280%0.79678%0.775SS**  trans109100.4157-66.3-172.8172.3-175.70116
323E25.8Very low25Very low181 Ų181134.8 Ų134.885%0.84677%0.772SS**  74.1140.176.8-79.7-177.3156.500113.6
324A25.1Very low25Very low89 Ų89135.6 Ų135.674%0.73677%0.774SS**  cis-178.8146.8-1800000108.5
325A26Very low25Very low97 Ų97134.4 Ų134.480%0.80278%0.782SS**  trans54.1155.1145.800000121.2
326S24.5Very low24.9Very low96 Ų96131.2 Ų131.267%0.67178%0.781SS**  cis-169161.524.446.20000112.7
327E25.5Very low24.5Very low166 Ų166128.3 Ų128.378%0.77678%0.776SS**  trans67.3149.9142.7-81.6174.8-16700121.6
328E25.7Very low24.4Very low178 Ų178125.3 Ų125.383%0.83277%0.77SS**  cis-169.8176-17.1-133-179.9-168.900108.3
329A24.1Very low24.3Very low83 Ų83126.8 Ų126.869%0.68677%0.769SS**  trans-85.3175.5-166.600000117.1
330L24.3Very low24.2Very low156 Ų156128.1 Ų128.182%0.81777%0.77SS**  164.6119.2119.7-84.6168.1000116.4
331T23.5Very low24.6Very low118 Ų118125.3 Ų125.372%0.72476%0.762SS**  trans46.8131130.553.90000127.3
332A24.7Very low24.4Very low91 Ų91129.4 Ų129.475%0.75277%0.767SS**  69.5140.8126.100000120.1
333V24Very low24.3Very low114 Ų114126.9 Ų126.969%0.69176%0.762SS**  -179.5142.267.7157.60000111.1
334Q24.2Very low24.2Very low178 Ų178124.3 Ų124.383%0.83275%0.753SS**  trans44.8136.7150.3-59.9163.1-0.200120.5
335S24Very low24Very low119 Ų119126.5 Ų126.583%0.83275%0.748SS**  168.3154.86443.60000110.4
336G22Very low23.9Very low69 Ų69129.8 Ų129.871%0.71174%0.744SS**  trans86.179.3132.400000121.4
337S21.1Very low23.8Very low110 Ų110133 Ų13377%0.76975%0.753SS**  57.1130113.289.80000123.2
338V21.8Very low23.6Very low128 Ų128129.6 Ų129.678%0.77675%0.748SS**  trans84.8139140.3-174.60000120.1
339S23.3Very low23.4Very low108 Ų108128.3 Ų128.376%0.75575%0.746SS**  trans91.3103.1152.444.40000120.3
340E22Very low23.4Very low184 Ų184131.1 Ų131.186%0.8676%0.755SS**  -43.5161128.5-72.3-174.9164.400111.7
341P33.9Very low23.2Very low102 Ų102128.2 Ų128.266%0.66275%0.748SS**  cis-148.6-17636.338.6-14.7000116.3
342E21.5Very low23.1Very low168 Ų168129.4 Ų129.479%0.78576%0.755SS**  trans31.2135.8135.2-65173.3174.800117.4
343D22.3Very low22.9Very low129 Ų129128 Ų12869%0.6975%0.749SS**  cis173.9176.329.2-134.5-24000108.2
344I23.7Very low22.8Very low127 Ų127134.5 Ų134.565%0.65176%0.763SS**  trans85.7105.3147.3-68.8158.2000120.2
345E22.1Very low22.7Very low135 Ų135130.1 Ų130.163%0.63176%0.758SS**  68.7114.7123.6-63.2-163.2123.100123.3
346K23.2Very low22.6Very low167 Ų167132.6 Ų132.673%0.72676%0.756SS**  63.8156.2116.2-68.8179.5-177.3146.30121.4
347L22.8Very low22.4Very low163 Ų163135 Ų13585%0.85375%0.752SS**  trans96.2131.3166.6-65.7139.3000112.7
348S21.2Very low22.5Very low95 Ų95137.5 Ų137.566%0.66475%0.752SS**  cis-178.3149.5-2.740.20000107.6
349D22.4Very low22.4Very low150 Ų150142.3 Ų142.380%0.80276%0.756SS**  trans-0.2129151.6-62.2-40.6000119.1
350V22.5Very low22.3Very low142 Ų142143.8 Ų143.886%0.86176%0.76SS**  trans-132.6106.5137179.40000108.5
351S21.1Very low22.2Very low96 Ų96140.1 Ų140.167%0.67176%0.755SS**  trans-82.1145.4166.158.30000111.5
352T22.2Very low21.7Very low142 Ų142140.4 Ų140.487%0.87176%0.759SS**  trans170121.1143250000105.7
353G19.2Very low21.7Very low62 Ų62143.4 Ų143.464%0.63976%0.763SS**  cis118.2110.931.500000106.8
354Y23.1Very low21.7Very low250 Ų250142.5 Ų142.598%0.9877%0.767SS**  trans171.9130.4143-88.9-64.9000110.5
355A21Very low21.6Very low87 Ų87144.9 Ų144.972%0.71978%0.78SS**  trans-85153.9-179.900000112.2
356Q21.4Very low21.6Very low171 Ų171141.9 Ų141.980%0.79978%0.779SS**  168.9145.899.9-123.4163.6-43.100113.4
357D19.7Very low21.5Very low118 Ų118137.4 Ų137.463%0.63177%0.768SS**  trans69.8108.3155.6-62.9-19.3000121.4
358H21.4Very low21.5Very low164 Ų164138 Ų13876%0.75977%0.771SS**  -178.512398.8-89.3-50.4000114.2
359R19.7Very low21.5Very low229 Ų229140.6 Ų140.686%0.86477%0.771SS**  trans45.8110.1138.4-67.4-176.9177.6176.90.3120S361R359-S361 PolarHBondContact O-N 3.22Å
360V21.9Very low21.6Very low138 Ų138139.7 Ų139.784%0.83677%0.765SS**  trans-41.4126.6150.9178.20000112.1
361S20.2Very low21.7Very low107 Ų107138.6 Ų138.675%0.74876%0.761SS**  trans-132.8104.4144.1-171.80000107.9R359 R363R359-S361 PolarHBondContact O-N 3.22Å; S361-R363 PolarHBondContact O-N 2.94Å
362S23.3Very low21.8Very low108 Ų108141 Ų14176%0.75576%0.762SS**  trans-57.3119.4167.140.60000109.9
363R20.8Very low22.1Very low231 Ų231141.3 Ų141.387%0.87275%0.753SS**  trans-122115.8157.2-89.9-174.4172.8-178.1-2.2108.2S361 L365S361-R363 PolarHBondContact O-N 2.94Å; R363-L365 PolarHBondContact O-N 3.31Å
364S22.2Very low22.7Very low111 Ų111143.2 Ų143.278%0.77676%0.755SS**  trans-29.8116.5161.9164.10000111.5A366S364-A366 PolarHBondContact O-N 2.61Å
365L22.7Very low23.5Very low177 Ų177137.9 Ų137.993%0.92775%0.748SS**  trans-72.984.8163.2-81156.5000107.3R363R363-L365 PolarHBondContact O-N 3.31Å
366A21.4Very low25.1Very low72 Ų72140.1 Ų140.160%0.59574%0.743SS**  trans-67.5130162.800000108.6S364S364-A366 PolarHBondContact O-N 2.61Å
367S22.3Very low27.4Very low72 Ų72135.4 Ų135.450%0.50372%0.72SS.*  trans39.795.1153.6530000115.9F369S367-F369 VanDerWaalsContact O-CD2 3.26Å; S367-F369 WeakPolarHBondContact O-CD2 3.2Å; S367-F369 PolarHBondContact O-N 3.17Å; S367-F369 WeakPolarHBondContact OG-CE2 3.45Å
368L22.8Very low30Very low176 Ų176134.8 Ų134.892%0.92171%0.709SS**  trans-61.790148.9-76.2163.6000106.7L370L368-L370 PolarHBondContact O-N 2.89Å; L368-L370 VanDerWaalsContact O-N 3.11Å
369F21.1Very low32.9Very low149 Ų149128.8 Ų128.865%0.65468%0.684SS**  trans-54.5115.3167.1-76.1-90.2000106.8S367 E372S367-F369 VanDerWaalsContact O-CD2 3.26Å; S367-F369 WeakPolarHBondContact O-CD2 3.2Å; S367-F369 PolarHBondContact O-N 3.17Å; S367-F369 WeakPolarHBondContact OG-CE2 3.45Å; F369-E372 HydrophobicContact CD1-CG 4.35Å
370L24.2Very low36Very low131 Ų131122 Ų12269%0.68667%0.665SS**PPolyproline II helixtrans-47.6143.4145.2-70164.6000106.2L368 E372L368-L370 PolarHBondContact O-N 2.89Å; L368-L370 VanDerWaalsContact O-N 3.11Å; L370-E372 PolarHBondContact O-N 2.79Å
371P23.2Very low39.1Very low119 Ų119116.9 Ų116.977%0.77363%0.63SS**PPolyproline II helixtrans-49.5117172.320.7-29.4000106.7E373P371-E373 PolarHBondContact O-N 3.05Å; P371-E373 VanDerWaalsContact O-N 3.16Å
372E23.1Very low42.2Very low147 Ų147119.5 Ų119.569%0.68762%0.624SS**PPolyproline II helixtrans-47.5128168.4-75.5179159.200105.1F369 L370 P374F369-E372 HydrophobicContact CD1-CG 4.35Å; L370-E372 PolarHBondContact O-N 2.79Å; E372-P374 VanDerWaalsContact O-N 3.09Å
373E29.9Very low45.2Very low149 Ų149115 Ų11570%0.69659%0.594SS**PPolyproline II helixtrans-48.4126.7169.1-72.9-173.7161.300106.2P371 V375P371-E373 PolarHBondContact O-N 3.05Å; P371-E373 VanDerWaalsContact O-N 3.16Å; E373-V375 PolarHBondContact O-N 3.03Å
374P30.8Very low48.4Very low102 Ų102107.3 Ų107.366%0.66258%0.58SS**PPolyproline II helixtrans-56.7118.5-177.422.6-31000106.1E372 H376E372-P374 VanDerWaalsContact O-N 3.09Å; P374-H376 PolarHBondContact O-N 3.28Å; P374-H376 PolarHBondContact O-ND1 2.77Å
375V39.5Very low51.6Low138 Ų138103.6 Ų103.684%0.83655%0.554SS**  trans-42.1110171.6176.40000105.6E373 F377E373-V375 PolarHBondContact O-N 3.03Å; V375-F377 PolarHBondContact O-N 3.24Å
376H55.2Low55Low134 Ų13495.2 Ų95.262%0.6251%0.511SS*.  trans-60.1107.1-172-85.612.8000107.6P374 R378P374-H376 PolarHBondContact O-N 3.28Å; P374-H376 PolarHBondContact O-ND1 2.77Å; H376-R378 PolarHBondContact O-N 3.45Å; H376-R378 VanDerWaalsContact O-N 3.11Å
377F69.1Low58.5Low71 Ų7191.8 Ų91.831%0.31148%0.482SS..PPolyproline II helixtrans-59.4118.2173.9172-96.6000107V273 L274 E275 A276 V375 P379V273-F377 HydrophobicContact CB-CZ 4.3Å; V273-F377 HydrophobicContact CG1-CE2 4.25Å; V273-F377 HydrophobicContact CG1-CZ 3.71Å; V273-F377 WeakPolarHBondContact O-CZ 3.26Å; L274-F377 WeakPolarHBondContact O-CE1 3.41Å; E275-F377 VanDerWaalsContact C-CE1 3.44Å; E275-F377 VanDerWaalsContact O-CZ 3.31Å; E275-F377 WeakPolarHBondContact O-CZ 3.23Å; A276-F377 HydrophobicContact CB-CB 3.97Å; A276-F377 HydrophobicContact CB-CD2 3.79Å; A276-F377 HydrophobicContact CB-CG 3.82Å; V375-F377 PolarHBondContact O-N 3.24Å; F377-P379 HydrophobicContact CE1-CB 4.38Å; F377-P379 HydrophobicContact CE1-CG 4.27Å; F377-P379 WeakPolarHBondContact O-CD 3.26Å
378R76.2Confident61.9Low105 Ų10588.4 Ų88.440%0.39646%0.458SS..PPolyproline II helixtrans-91.7117.1176.2-64.3-173.5-174-158.9-2.4107.7E255 H376 T445E255-R378 PolarHBondContact O-NH1 3.15Å; H376-R378 PolarHBondContact O-N 3.45Å; H376-R378 VanDerWaalsContact O-N 3.11Å; R378-T445 PolarHBondContact NH2-OG1 3.38Å
379P81.9Confident65.4Low38 Ų3881 Ų8125%0.24742%0.422CS..PPolyproline II helixtrans-58.2143.5175.4-25.435.8000111.5V273 L274 F377 Y381V273-P379 CarbonylContact O-C 3.47Å; V273-P379 WeakPolarHBondContact O-CA 3.5Å; L274-P379 HydrophobicContact CD2-CB 4.29Å; F377-P379 HydrophobicContact CE1-CB 4.38Å; F377-P379 HydrophobicContact CE1-CG 4.27Å; F377-P379 WeakPolarHBondContact O-CD 3.26Å; P379-Y381 HydrophobicContact CB-CE1 4.17Å; P379-Y381 HydrophobicContact CB-CE2 3.79Å; P379-Y381 WeakPolarHBondContact CB-OH 3.34Å
380I84.1Confident68.8Low88 Ų8874.3 Ų74.345%0.45139%0.392SS..BIsolated β-bridgetrans-108.1116.5174.4-59.2173.9000107.6D272 V273 R382D272-I380 WeakPolarHBondContact CA-O 3.3Å; V273-I380 HydrophobicContact CB-CB 4.35Å; V273-I380 PolarHBondContact N-O 3.3Å; V273-I380 PolarHBondContact O-N 3.32Å; I380-R382 HydrophobicContact CG2-CG 4.43Å
381Y87.8Confident72Confident30 Ų3073 Ų7312%0.11838%0.383CS..  trans-99.1124.2178.2-54.2-78.5000109.8H254 G260 H263 G264 D272 L274 P379H254-Y381 AromaticContact CD2-CD2 3.88Å; H254-Y381 AromaticContact CE1-CD2 3.9Å; H254-Y381 AromaticContact NE2-CD2 3.6Å; G260-Y381 WeakPolarHBondContact CA-OH 3.29Å; H263-Y381 AromaticContact CD2-CD1 3.93Å; H263-Y381 AromaticContact NE2-CD1 3.93Å; H263-Y381 WeakPolarHBondContact O-CD1 3.48Å; G264-Y381 VanDerWaalsContact CA-CE2 3.43Å; D272-Y381 WeakPolarHBondContact OD1-CA 3.38Å; L274-Y381 HydrophobicContact CD2-CD1 4.08Å; L274-Y381 HydrophobicContact CD2-CE1 3.57Å; P379-Y381 HydrophobicContact CB-CE1 4.17Å; P379-Y381 HydrophobicContact CB-CE2 3.79Å; P379-Y381 WeakPolarHBondContact CB-OH 3.34Å
382R84.2Confident75.1Confident161 Ų16168.9 Ų68.961%0.60835%0.354SS*.  trans-107.5-8.3179.1-65.3-162.4-179.8-112.20.6113.8D272 I380D272-R382 PolarHBondContact OD1-N 3.08Å; I380-R382 HydrophobicContact CG2-CG 4.43Å
383G86Confident78.3Confident13 Ų1363.8 Ų63.813%0.13433%0.33CS..SBendtrans-67.8161.3174.900000114.1F267F267-G383 WeakPolarHBondContact O-CA 3.42Å
384A88Confident81Confident71 Ų7157.1 Ų57.159%0.58730%0.299SS*.PPolyproline II helixtrans-65.2150176.800000111.9C266 F267 A386C266-A384 WeakPolarHBondContact CA-O 3.48Å; F267-A384 HydrophobicContact CD2-CB 4.5Å; F267-A384 PolarHBondContact N-O 3.43Å; A384-A386 PolarHBondContact O-N 3.42Å
385S90.5Very high83.8Confident33 Ų3352.6 Ų52.623%0.23127%0.27CS..BIsolated β-bridgetrans-64.6127.6177.6-179.70000111.4A387 K417S385-A387 PolarHBondContact OG-N 3Å; S385-K417 PolarHBondContact O-NZ 3.39Å
386A93.1Very high86.1Confident1 Ų147.1 Ų47.11%0.00824%0.236CC..  trans-103.314.2176.700000112.2L265 F267 A384 N418 F419L265-A386 WeakPolarHBondContact O-CB 3.35Å; L265-A386 PolarHBondContact O-N 3.49Å; F267-A386 HydrophobicContact CD2-CB 3.82Å; F267-A386 HydrophobicContact CE1-CB 4.35Å; F267-A386 HydrophobicContact CE2-CB 3.54Å; F267-A386 HydrophobicContact CG-CB 4.34Å; F267-A386 HydrophobicContact CZ-CB 3.82Å; A384-A386 PolarHBondContact O-N 3.42Å; A386-N418 HydrophobicContact CB-CB 4.45Å; A386-N418 PolarHBondContact O-N 3.27Å; A386-F419 HydrophobicContact CB-CD2 3.94Å; A386-F419 HydrophobicContact CB-CE2 4.24Å; A386-F419 PolarHBondContact O-N 3.2Å
387A94.7Very high87.5Confident0 Ų046.2 Ų46.20%023%0.232CC..EExtended strand (participates in β ladder)trans-115.1150.3-174.400000113.7M250 L265 S385 F419 I421M250-A387 HydrophobicContact SD-CB 4.49Å; L265-A387 HydrophobicContact CB-CB 4.21Å; S385-A387 PolarHBondContact OG-N 3Å; A387-F419 CarbonylContact C-O 3.58Å; A387-F419 VanDerWaalsContact CA-O 3.3Å; A387-F419 WeakPolarHBondContact CA-O 3.39Å; A387-F419 HydrophobicContact CB-CB 3.99Å; A387-I421 HydrophobicContact CB-CG2 4.43Å
388F95.1Very high88.1Confident0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-130.4161.8161.667.8-91.2000108.9V244 C245 V410 F411 F414 K417 F419 C420 I421V244-F388 HydrophobicContact CB-CD2 4.29Å; V244-F388 HydrophobicContact CG1-CD2 4.47Å; V244-F388 HydrophobicContact CG1-CE2 4.31Å; C245-F388 CarbonylContact O-C 3.56Å; C245-F388 WeakPolarHBondContact O-CA 3.34Å; C245-F388 WeakPolarHBondContact O-CB 3.4Å; F388-V410 HydrophobicContact CD2-CG1 4.33Å; F388-V410 HydrophobicContact CE2-CG1 3.32Å; F388-V410 HydrophobicContact CZ-CG1 3.51Å; F388-F411 AromaticContact CE1-CD1 3.62Å; F388-F411 HydrophobicContact CE1-CD1 3.62Å; F388-F411 AromaticContact CE1-CE1 3.5Å; F388-F411 HydrophobicContact CE1-CE1 3.5Å; F388-F411 HydrophobicContact CE1-CG 4.37Å; F388-F411 HydrophobicContact CE1-CZ 4.2Å; F388-F411 HydrophobicContact CZ-CD1 4.04Å; F388-F411 AromaticContact CZ-CE1 3.92Å; F388-F411 HydrophobicContact CZ-CE1 3.92Å; F388-F411 HydrophobicContact CZ-CG 4.4Å; F388-F411 HydrophobicContact CZ-CZ 4.19Å; F388-F414 HydrophobicContact CB-CD2 4.16Å; F388-F414 HydrophobicContact CB-CE2 4.27Å; F388-F414 HydrophobicContact CB-CG 4.48Å; F388-F414 HydrophobicContact CD1-CB 4.06Å; F388-F414 AromaticContact CD1-CD2 3.83Å; F388-F414 HydrophobicContact CD1-CD2 3.83Å; F388-F414 HydrophobicContact CD1-CG 4.16Å; F388-F414 AromaticContact CD2-CD2 3.95Å; F388-F414 HydrophobicContact CD2-CD2 3.95Å; F388-F414 HydrophobicContact CD2-CE2 4.04Å; F388-F414 HydrophobicContact CE1-CB 4.37Å; F388-F414 HydrophobicContact CE1-CD2 4.19Å; F388-F414 HydrophobicContact CE2-CD2 4.31Å; F388-F414 AromaticContact CG-CD2 3.7Å; F388-F414 HydrophobicContact CG-CD2 3.7Å; F388-F414 HydrophobicContact CG-CE2 4.06Å; F388-F414 HydrophobicContact CG-CG 4.29Å; F388-F414 HydrophobicContact CZ-CD2 4.42Å; F388-K417 HydrophobicContact CD1-CB 3.77Å; F388-K417 HydrophobicContact CD1-CG 4.25Å; F388-K417 HydrophobicContact CE1-CB 4.37Å; F388-F419 VanDerWaalsContact CD1-O 3.25Å; F388-F419 WeakPolarHBondContact CD1-O 3.42Å; F388-F419 WeakPolarHBondContact CE1-O 3.26Å; F388-F419 PolarHBondContact N-O 3.47Å; F388-C420 HydrophobicContact CD2-CB 4.49Å; F388-C420 HydrophobicContact CE1-CB 4.09Å; F388-C420 HydrophobicContact CE2-CB 3.7Å; F388-C420 WeakPolarHBondContact CE2-SG 3.4Å; F388-C420 HydrophobicContact CZ-CB 3.47Å; F388-C420 VanDerWaalsContact CZ-CB 3.47Å; F388-C420 CarbonylContact O-C 3.53Å; F388-C420 WeakPolarHBondContact O-CA 3.47Å; F388-I421 WeakPolarHBondContact O-CG1 3.46Å; F388-I421 PolarHBondContact O-N 3.04Å
389C94.8Very high88.7Confident22 Ų2247.3 Ų47.315%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-116.8151.4-177.566.60000113.6V244 C245 V248 I421V244-C389 CarbonylContact C-O 3.59Å; V244-C389 WeakPolarHBondContact CA-O 3.38Å; C245-C389 PolarHBondContact N-O 3.18Å; C245-C389 PolarHBondContact O-N 3.42Å; C245-C389 PolarHBondContact O-SG 2.81Å; V248-C389 HydrophobicContact CG2-CB 4.13Å; C389-I421 CarbonylContact C-O 3.54Å; C389-I421 WeakPolarHBondContact CA-O 3.3Å; C389-I421 HydrophobicContact CB-CD1 4.04Å; C389-I421 HydrophobicContact CB-CG1 3.47Å; C389-I421 VanDerWaalsContact CB-CG1 3.47Å
390I94.4Very high88.9Confident7 Ų747.2 Ų47.24%0.03623%0.234CC..EExtended strand (participates in β ladder)trans-87.7122.1164.6-60.5166.8000107.6M242 S243 V244 F393 I421 I422 L433 F437M242-I390 HydrophobicContact CE-CD1 4.17Å; M242-I390 HydrophobicContact CG-CG1 4.42Å; M242-I390 HydrophobicContact CG-CG2 4.01Å; M242-I390 HydrophobicContact SD-CD1 4.02Å; M242-I390 HydrophobicContact SD-CG1 4.09Å; S243-I390 WeakPolarHBondContact O-CA 3.27Å; V244-I390 HydrophobicContact CG1-CG1 4.05Å; I390-F393 HydrophobicContact CG2-CB 4.11Å; I390-I421 PolarHBondContact N-O 3.16Å; I390-I422 HydrophobicContact CB-CB 4.2Å; I390-I422 HydrophobicContact CB-CD1 4.03Å; I390-I422 HydrophobicContact CB-CG1 4.19Å; I390-I422 HydrophobicContact CD1-CD1 4.47Å; I390-I422 HydrophobicContact CG2-CD1 3.93Å; I390-L433 HydrophobicContact CD1-CD2 4.47Å; I390-F437 HydrophobicContact CD1-CZ 4.17Å
391Q89.9Confident88.9Confident104 Ų10443.4 Ų43.449%0.48622%0.216SC..EExtended strand (participates in β ladder)trans-92.8-38.5179.2-67178.4-35.600112S243 C245S243-Q391 PolarHBondContact O-N 3.08Å; S243-Q391 PolarHBondContact OG-OE1 2.98Å; C245-Q391 VanDerWaalsContact CB-CD 3.48Å; C245-Q391 HydrophobicContact CB-CG 4.02Å; C245-Q391 VanDerWaalsContact CB-NE2 3.25Å
392L88.3Confident88.9Confident32 Ų3243.1 Ų43.117%0.16822%0.215CC..EExtended strand (participates in β ladder)trans-142.7137.8-178.4-157.684.4000109.3F200 L207 F215 L216 F241 M242 S243F200-L392 HydrophobicContact CE1-CD1 4.45Å; F200-L392 HydrophobicContact CE1-CD2 3.57Å; F200-L392 HydrophobicContact CE1-CG 3.99Å; F200-L392 HydrophobicContact CE2-CD2 4.41Å; F200-L392 HydrophobicContact CZ-CD2 3.37Å; F200-L392 HydrophobicContact CZ-CG 4.11Å; L207-L392 HydrophobicContact CD1-CD1 4.43Å; F215-L392 HydrophobicContact CE2-CD2 4.2Å; L216-L392 HydrophobicContact CD1-CD2 4.34Å; F241-L392 HydrophobicContact CD1-CD2 3.94Å; F241-L392 HydrophobicContact CE1-CB 4.37Å; F241-L392 HydrophobicContact CE1-CD2 3.73Å; M242-L392 CarbonylContact C-O 3.5Å; M242-L392 WeakPolarHBondContact CA-O 3.47Å; S243-L392 PolarHBondContact N-O 2.79Å
393F90.1Very high89.2Confident40 Ų4035.5 Ų35.518%0.17519%0.186CC..EExtended strand (participates in β ladder)trans-142.9132.3175.9173.7-102.7000110.5F241 M242 I390 I395 F406 F431 L433F241-F393 WeakPolarHBondContact O-CA 3.26Å; M242-F393 HydrophobicContact CB-CD2 4.37Å; M242-F393 HydrophobicContact CE-CD2 3.56Å; M242-F393 HydrophobicContact CE-CE2 3.8Å; M242-F393 HydrophobicContact CG-CD2 4.4Å; I390-F393 HydrophobicContact CG2-CB 4.11Å; F393-I395 HydrophobicContact CE1-CG2 4.02Å; F393-I395 HydrophobicContact CZ-CB 4.1Å; F393-I395 HydrophobicContact CZ-CG2 3.69Å; F393-F406 HydrophobicContact CE2-CD2 4.27Å; F393-F406 HydrophobicContact CE2-CE2 4.24Å; F393-F431 AromaticContact CD1-CD2 3.99Å; F393-F431 HydrophobicContact CD1-CD2 3.99Å; F393-F431 AromaticContact CD1-CE2 3.3Å; F393-F431 HydrophobicContact CD1-CE2 3.3Å; F393-F431 AromaticContact CD1-CZ 3.79Å; F393-F431 HydrophobicContact CD1-CZ 3.79Å; F393-F431 AromaticContact CE1-CD2 3.59Å; F393-F431 HydrophobicContact CE1-CD2 3.59Å; F393-F431 AromaticContact CE1-CE2 3.33Å; F393-F431 HydrophobicContact CE1-CE2 3.33Å; F393-F431 HydrophobicContact CE1-CZ 4.25Å; F393-F431 HydrophobicContact CG-CE2 4.3Å; F393-F431 HydrophobicContact CZ-CE2 4.36Å; F393-L433 HydrophobicContact CD2-CD2 4.04Å; F393-L433 HydrophobicContact CE1-CD2 4.32Å; F393-L433 HydrophobicContact CE2-CD2 3.81Å; F393-L433 HydrophobicContact CG-CD2 4.38Å; F393-L433 HydrophobicContact CZ-CB 4.37Å; F393-L433 HydrophobicContact CZ-CD2 3.96Å
394C88.3Confident89.3Confident9 Ų937.2 Ų37.26%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-146.2153166.679.80000110.3I199 F200 G240 F241I199-C394 HydrophobicContact CG2-CB 4.42Å; F200-C394 HydrophobicContact CD1-CB 4.29Å; F200-C394 HydrophobicContact CE1-CB 3.77Å; F200-C394 HydrophobicContact CE2-CB 4.2Å; F200-C394 WeakPolarHBondContact CE2-SG 3.47Å; F200-C394 HydrophobicContact CZ-CB 3.71Å; F200-C394 WeakPolarHBondContact CZ-SG 3.28Å; G240-C394 CarbonylContact C-O 3.32Å; G240-C394 VanDerWaalsContact CA-O 3.24Å; G240-C394 WeakPolarHBondContact CA-O 3.36Å; F241-C394 PolarHBondContact N-O 3.4Å; F241-C394 PolarHBondContact O-N 3Å
395I89.6Confident89.4Confident8 Ų835 Ų354%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-153.3143.1172.7-170.1167.4000108.1L183 Y203 F393 E397 Y399 E400 F406L183-I395 HydrophobicContact CD1-CD1 4.04Å; Y203-I395 PolarHBondContact OH-O 3.49Å; F393-I395 HydrophobicContact CE1-CG2 4.02Å; F393-I395 HydrophobicContact CZ-CB 4.1Å; F393-I395 HydrophobicContact CZ-CG2 3.69Å; I395-E397 PolarHBondContact O-N 2.79Å; I395-Y399 WeakPolarHBondContact CD1-O 3.42Å; I395-E400 HydrophobicContact CG2-CB 4.11Å; I395-E400 HydrophobicContact CG2-CG 3.94Å; I395-F406 HydrophobicContact CD1-CE2 4.27Å
396D87.8Confident89.5Confident23 Ų2333.4 Ų33.412%0.12316%0.159CC..  trans-61.4134.5172.4-176.2-63.1000109.5I199 R202 V239 K398 Y399 E400I199-D396 HydrophobicContact CD1-CB 4.2Å; R202-D396 IonicContact NH1-OD2 3.55Å; V239-D396 PolarHBondContact O-N 2.92Å; D396-K398 PolarHBondContact O-N 3.08Å; D396-K398 VanDerWaalsContact OD1-CB 3.3Å; D396-K398 WeakPolarHBondContact OD1-CB 3.29Å; D396-K398 VanDerWaalsContact OD1-CG 3.31Å; D396-K398 WeakPolarHBondContact OD1-CG 3.34Å; D396-K398 PolarHBondContact OD1-N 2.7Å; D396-Y399 HydrophobicContact CB-CD2 4.2Å; D396-Y399 PolarHBondContact O-N 3.31Å; D396-E400 PolarHBondContact O-N 2.85Å
397E82.9Confident89.4Confident115 Ų11533.3 Ų33.354%0.53716%0.159SC..THydrogen-bonded Turntrans-50-30.6-177-159.5-157.9144.200113.3K128 I395 Y399K128-E397 IonicContact NZ-OE1 3.91Å; K128-E397 PolarHBondContact NZ-OE1 2.88Å; I395-E397 PolarHBondContact O-N 2.79Å; E397-Y399 PolarHBondContact O-N 2.83Å
398K83.3Confident89.2Confident148 Ų14837.6 Ų37.664%0.64318%0.181SC*.THydrogen-bonded Turntrans-64.2-27177.6-65.9173.3-176.6172.80113.2Y180 D396Y180-K398 WeakPolarHBondContact CE1-O 3.25Å; D396-K398 PolarHBondContact O-N 3.08Å; D396-K398 VanDerWaalsContact OD1-CB 3.3Å; D396-K398 WeakPolarHBondContact OD1-CB 3.29Å; D396-K398 VanDerWaalsContact OD1-CG 3.31Å; D396-K398 WeakPolarHBondContact OD1-CG 3.34Å; D396-K398 PolarHBondContact OD1-N 2.7Å
399Y87.3Confident89.1Confident51 Ų5140.2 Ų40.220%0.219%0.193CC..THydrogen-bonded Turntrans-1130.1-175.5-57.2-73.3000113.3P181 L183 V234 V239 I395 D396 E397 A401 R402P181-Y399 HydrophobicContact CG-CE1 4.19Å; L183-Y399 HydrophobicContact CD2-CD1 3.88Å; L183-Y399 HydrophobicContact CD2-CG 4.16Å; V234-Y399 HydrophobicContact CG2-CD1 4.33Å; V234-Y399 HydrophobicContact CG2-CE1 3.92Å; V239-Y399 HydrophobicContact CB-CD2 3.79Å; V239-Y399 HydrophobicContact CB-CE2 3.95Å; V239-Y399 HydrophobicContact CG1-CD2 4.2Å; V239-Y399 HydrophobicContact CG1-CE2 3.82Å; V239-Y399 HydrophobicContact CG2-CD2 3.82Å; V239-Y399 HydrophobicContact CG2-CE2 4.17Å; V239-Y399 HydrophobicContact CG2-CG 4.22Å; I395-Y399 WeakPolarHBondContact CD1-O 3.42Å; D396-Y399 HydrophobicContact CB-CD2 4.2Å; D396-Y399 PolarHBondContact O-N 3.31Å; E397-Y399 PolarHBondContact O-N 2.83Å; Y399-A401 PolarHBondContact O-N 2.86Å; Y399-A401 VanDerWaalsContact O-N 3.09Å; Y399-R402 WeakPolarHBondContact O-CB 3.41Å; Y399-R402 PolarHBondContact O-N 2.88Å
400E86.1Confident89.1Confident36 Ų3639.2 Ų39.217%0.16819%0.186CC..G310 helixtrans-52.3-36.7-176.8-163.4-162.7165.700113.5I395 D396 R402 S403 F431 I432I395-E400 HydrophobicContact CG2-CB 4.11Å; I395-E400 HydrophobicContact CG2-CG 3.94Å; D396-E400 PolarHBondContact O-N 2.85Å; E400-R402 PolarHBondContact O-N 3.21Å; E400-S403 WeakPolarHBondContact O-CB 3.39Å; E400-S403 PolarHBondContact O-N 3.33Å; E400-S403 PolarHBondContact O-OG 3.14Å; E400-F431 WeakPolarHBondContact OE1-CB 3.45Å; E400-I432 HydrophobicContact CB-CD1 4.1Å; E400-I432 HydrophobicContact CG-CB 4.21Å; E400-I432 HydrophobicContact CG-CD1 3.93Å; E400-I432 HydrophobicContact CG-CG1 4.17Å; E400-I432 PolarHBondContact OE1-N 3.17Å
401A85Confident89.1Confident8 Ų839 Ų397%0.06619%0.185CC..G310 helixtrans-64.3-8.8177.800000114.5K128 R176 Y399 I432K128-A401 HydrophobicContact CG-CB 4.35Å; R176-A401 PolarHBondContact NH2-O 3.31Å; Y399-A401 PolarHBondContact O-N 2.86Å; Y399-A401 VanDerWaalsContact O-N 3.09Å; A401-I432 HydrophobicContact CB-CD1 4.11Å
402R87.8Confident89.2Confident24 Ų2437.3 Ų37.39%0.09119%0.185CC..G310 helixtrans-110.69.9175.9-64.7-66.3-63.4-159.5-2.1112.6L183 Y399 E400 L404 D405L183-R402 HydrophobicContact CD1-CB 3.51Å; L183-R402 HydrophobicContact CG-CB 3.81Å; L183-R402 HydrophobicContact CG-CG 4.48Å; Y399-R402 WeakPolarHBondContact O-CB 3.41Å; Y399-R402 PolarHBondContact O-N 2.88Å; E400-R402 PolarHBondContact O-N 3.21Å; R402-L404 PolarHBondContact O-N 3.25Å; R402-L404 VanDerWaalsContact O-N 3.11Å; R402-D405 IonicContact CZ-OD1 2.86Å; R402-D405 IonicContact CZ-OD2 3.08Å; R402-D405 IonicContact NE-OD1 2.75Å; R402-D405 IonicContact NE-OD2 3.87Å; R402-D405 PolarHBondContact NE-OD2 3.38Å; R402-D405 IonicContact NH2-OD1 3.76Å; R402-D405 PolarHBondContact NH2-OD1 3.04Å; R402-D405 IonicContact NH2-OD2 2.69Å; R402-D405 PolarHBondContact NH2-OD2 3.1Å; R402-D405 VanDerWaalsContact O-CB 3.24Å; R402-D405 WeakPolarHBondContact O-CB 3.48Å; R402-D405 PolarHBondContact O-N 3.27Å
403S89.8Confident89.3Confident1 Ų137.7 Ų37.71%0.00719%0.187CC..THydrogen-bonded Turntrans-54.9-29.8-179.9510000114.4E400 D405 F406 L433E400-S403 WeakPolarHBondContact O-CB 3.39Å; E400-S403 PolarHBondContact O-N 3.33Å; E400-S403 PolarHBondContact O-OG 3.14Å; S403-D405 PolarHBondContact O-N 3.18Å; S403-F406 WeakPolarHBondContact O-CD2 3.48Å; S403-F406 PolarHBondContact O-N 2.99Å; S403-L433 PolarHBondContact OG-N 3.17Å
404L89.1Confident89.3Confident49 Ų4936.2 Ų36.226%0.25718%0.18SC..THydrogen-bonded Turntrans-64.8-19.1176.2-161.870.9000113.4R402 F406 M407 L433 N436 F455R402-L404 PolarHBondContact O-N 3.25Å; R402-L404 VanDerWaalsContact O-N 3.11Å; L404-F406 PolarHBondContact O-N 3.11Å; L404-M407 HydrophobicContact CD1-CG 3.92Å; L404-M407 WeakPolarHBondContact O-CB 3.3Å; L404-M407 PolarHBondContact O-N 2.87Å; L404-M407 VanDerWaalsContact O-N 3.08Å; L404-L433 HydrophobicContact CD1-CD1 4.18Å; L404-N436 HydrophobicContact CD1-CB 4.16Å; L404-F455 HydrophobicContact CD1-CE2 4.39Å; L404-F455 HydrophobicContact CD1-CZ 4.38Å
405D89.6Confident89.3Confident23 Ų2340 Ų4012%0.12321%0.206CC..Hα-helixtrans-59.9-28.3177.5-71.7-11.2000112L183 V185 R402 S403 M407L183-D405 HydrophobicContact CB-CB 4.37Å; L183-D405 PolarHBondContact N-OD2 3.15Å; V185-D405 HydrophobicContact CG2-CB 4.4Å; R402-D405 IonicContact CZ-OD1 2.86Å; R402-D405 IonicContact CZ-OD2 3.08Å; R402-D405 IonicContact NE-OD1 2.75Å; R402-D405 IonicContact NE-OD2 3.87Å; R402-D405 PolarHBondContact NE-OD2 3.38Å; R402-D405 IonicContact NH2-OD1 3.76Å; R402-D405 PolarHBondContact NH2-OD1 3.04Å; R402-D405 IonicContact NH2-OD2 2.69Å; R402-D405 PolarHBondContact NH2-OD2 3.1Å; R402-D405 VanDerWaalsContact O-CB 3.24Å; R402-D405 WeakPolarHBondContact O-CB 3.48Å; R402-D405 PolarHBondContact O-N 3.27Å; S403-D405 PolarHBondContact O-N 3.18Å; D405-M407 VanDerWaalsContact C-N 3.27Å; D405-M407 PolarHBondContact O-N 3.3Å
406F91.8Very high89.3Confident0 Ų043.7 Ų43.70%023%0.226CC..Hα-helixtrans-57.7-39.5174.5-82.9-84.4000112.7V185 V230 C232 M242 F393 I395 S403 L404 N408 F409 V410V185-F406 HydrophobicContact CG1-CD1 4.01Å; V185-F406 HydrophobicContact CG1-CE1 4.43Å; V230-F406 HydrophobicContact CB-CD1 4.47Å; V230-F406 HydrophobicContact CG1-CD1 3.94Å; V230-F406 HydrophobicContact CG1-CE1 4.12Å; C232-F406 HydrophobicContact CB-CE1 4.18Å; C232-F406 HydrophobicContact CB-CE2 3.91Å; C232-F406 HydrophobicContact CB-CZ 3.58Å; C232-F406 VanDerWaalsContact SG-CE2 3.55Å; C232-F406 WeakPolarHBondContact SG-CZ 3.14Å; M242-F406 HydrophobicContact CB-CD1 3.8Å; M242-F406 HydrophobicContact CB-CE1 3.89Å; M242-F406 HydrophobicContact CB-CG 4.47Å; M242-F406 HydrophobicContact CE-CB 3.53Å; M242-F406 HydrophobicContact CE-CD1 4.22Å; M242-F406 HydrophobicContact CE-CD2 4.22Å; M242-F406 HydrophobicContact CE-CG 3.76Å; M242-F406 HydrophobicContact SD-CB 4.1Å; M242-F406 HydrophobicContact SD-CD1 4.42Å; M242-F406 HydrophobicContact SD-CG 4.43Å; F393-F406 HydrophobicContact CE2-CD2 4.27Å; F393-F406 HydrophobicContact CE2-CE2 4.24Å; I395-F406 HydrophobicContact CD1-CE2 4.27Å; S403-F406 WeakPolarHBondContact O-CD2 3.48Å; S403-F406 PolarHBondContact O-N 2.99Å; L404-F406 PolarHBondContact O-N 3.11Å; F406-N408 PolarHBondContact O-N 3.39Å; F406-F409 PolarHBondContact O-N 3.47Å; F406-F409 VanDerWaalsContact O-N 3.14Å; F406-V410 WeakPolarHBondContact O-CG2 3.45Å; F406-V410 PolarHBondContact O-N 3.41Å
407M92.4Very high89.5Confident0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-64.7-37.8-165.1-63-55.9-60.900112.7M242 L404 D405 F409 V410 F411 C420 L433 F437 F455 L460M242-M407 HydrophobicContact CE-SD 4.47Å; L404-M407 HydrophobicContact CD1-CG 3.92Å; L404-M407 WeakPolarHBondContact O-CB 3.3Å; L404-M407 PolarHBondContact O-N 2.87Å; L404-M407 VanDerWaalsContact O-N 3.08Å; D405-M407 VanDerWaalsContact C-N 3.27Å; D405-M407 PolarHBondContact O-N 3.3Å; M407-F409 VanDerWaalsContact C-N 3.31Å; M407-F409 PolarHBondContact O-N 3.04Å; M407-V410 PolarHBondContact O-N 3.25Å; M407-F411 HydrophobicContact CB-CD2 4.46Å; M407-F411 HydrophobicContact CE-CD2 4.09Å; M407-F411 HydrophobicContact CE-CE2 3.45Å; M407-F411 VanDerWaalsContact CE-CE2 3.45Å; M407-F411 HydrophobicContact CE-CZ 4.2Å; M407-F411 VanDerWaalsContact O-CD2 3.27Å; M407-F411 WeakPolarHBondContact O-CD2 3.21Å; M407-F411 PolarHBondContact O-N 3.49Å; M407-C420 HydrophobicContact CE-CB 3.68Å; M407-L433 HydrophobicContact CG-CD1 4.19Å; M407-L433 HydrophobicContact SD-CD1 4.34Å; M407-F437 HydrophobicContact CE-CZ 4.11Å; M407-F437 HydrophobicContact SD-CZ 4.33Å; M407-F455 HydrophobicContact CE-CD1 3.84Å; M407-F455 HydrophobicContact CE-CE1 4.31Å; M407-F455 HydrophobicContact CE-CG 4.47Å; M407-L460 HydrophobicContact CB-CD1 4.37Å; M407-L460 HydrophobicContact CB-CD2 3.67Å
408N90.4Very high90Very high89 Ų8941 Ų4148%0.47621%0.214SC..Hα-helixtrans-59.1-43.9177.3-75.4-54.4000111.8F406 S412F406-N408 PolarHBondContact O-N 3.39Å; N408-S412 PolarHBondContact O-N 3.17Å
409F93Very high90.6Very high56 Ų5634.7 Ų34.725%0.24619%0.187CC..Hα-helixtrans-70.5-44.5179.1-173.1-96.3000111V185 K187 V230 F406 M407 F411 S412 L413V185-F409 HydrophobicContact CB-CB 4.04Å; V185-F409 HydrophobicContact CB-CG 4.31Å; V185-F409 HydrophobicContact CG1-CB 3.64Å; V185-F409 HydrophobicContact CG1-CD1 3.87Å; V185-F409 HydrophobicContact CG1-CG 3.8Å; K187-F409 HydrophobicContact CG-CE1 4.27Å; K187-F409 HydrophobicContact CG-CZ 4.19Å; V230-F409 HydrophobicContact CG1-CD1 3.62Å; V230-F409 HydrophobicContact CG1-CE1 3.95Å; V230-F409 HydrophobicContact CG2-CD1 4.16Å; V230-F409 HydrophobicContact CG2-CE1 4.15Å; F406-F409 PolarHBondContact O-N 3.47Å; F406-F409 VanDerWaalsContact O-N 3.14Å; M407-F409 VanDerWaalsContact C-N 3.31Å; M407-F409 PolarHBondContact O-N 3.04Å; F409-F411 PolarHBondContact O-N 3.33Å; F409-S412 WeakPolarHBondContact O-CA 3.47Å; F409-S412 WeakPolarHBondContact O-CB 3.42Å; F409-S412 PolarHBondContact O-N 3.46Å; F409-S412 PolarHBondContact O-OG 2.82Å; F409-L413 HydrophobicContact CD1-CD1 4.15Å; F409-L413 HydrophobicContact CD1-CG 4.39Å; F409-L413 HydrophobicContact CE1-CD1 3.9Å; F409-L413 HydrophobicContact CE1-CD2 4.11Å; F409-L413 HydrophobicContact CE1-CG 4.17Å; F409-L413 HydrophobicContact CZ-CD2 4.31Å; F409-L413 PolarHBondContact O-N 3.36Å
410V93.4Very high91Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-62.2-44.7-178.8171.80000112.2V230 M242 V244 F388 F406 M407 S412 L413 F414V230-V410 HydrophobicContact CG2-CG2 4.26Å; M242-V410 HydrophobicContact SD-CG2 3.85Å; V244-V410 HydrophobicContact CB-CG1 4.41Å; V244-V410 HydrophobicContact CG1-CG1 3.85Å; V244-V410 HydrophobicContact CG1-CG2 4.48Å; V244-V410 HydrophobicContact CG2-CG1 4.24Å; F388-V410 HydrophobicContact CD2-CG1 4.33Å; F388-V410 HydrophobicContact CE2-CG1 3.32Å; F388-V410 HydrophobicContact CZ-CG1 3.51Å; F406-V410 WeakPolarHBondContact O-CG2 3.45Å; F406-V410 PolarHBondContact O-N 3.41Å; M407-V410 PolarHBondContact O-N 3.25Å; V410-S412 PolarHBondContact O-N 3.38Å; V410-L413 WeakPolarHBondContact O-CB 3.4Å; V410-L413 PolarHBondContact O-N 3.43Å; V410-L413 VanDerWaalsContact O-N 3.09Å; V410-F414 PolarHBondContact O-N 3.46Å
411F94.3Very high91.4Very high2 Ų231 Ų311%0.00917%0.172CC..Hα-helixtrans-67.3-18.7174-81.4-71.9000113.4F388 M407 F409 F414 C420 F455 R457 L460F388-F411 AromaticContact CE1-CD1 3.62Å; F388-F411 HydrophobicContact CE1-CD1 3.62Å; F388-F411 AromaticContact CE1-CE1 3.5Å; F388-F411 HydrophobicContact CE1-CE1 3.5Å; F388-F411 HydrophobicContact CE1-CG 4.37Å; F388-F411 HydrophobicContact CE1-CZ 4.2Å; F388-F411 HydrophobicContact CZ-CD1 4.04Å; F388-F411 AromaticContact CZ-CE1 3.92Å; F388-F411 HydrophobicContact CZ-CE1 3.92Å; F388-F411 HydrophobicContact CZ-CG 4.4Å; F388-F411 HydrophobicContact CZ-CZ 4.19Å; M407-F411 HydrophobicContact CB-CD2 4.46Å; M407-F411 HydrophobicContact CE-CD2 4.09Å; M407-F411 HydrophobicContact CE-CE2 3.45Å; M407-F411 VanDerWaalsContact CE-CE2 3.45Å; M407-F411 HydrophobicContact CE-CZ 4.2Å; M407-F411 VanDerWaalsContact O-CD2 3.27Å; M407-F411 WeakPolarHBondContact O-CD2 3.21Å; M407-F411 PolarHBondContact O-N 3.49Å; F409-F411 PolarHBondContact O-N 3.33Å; F411-F414 CarbonylContact O-C 3.59Å; F411-C420 HydrophobicContact CE1-CB 4.44Å; F411-C420 HydrophobicContact CE2-CB 4.33Å; F411-C420 HydrophobicContact CZ-CB 3.79Å; F411-F455 AromaticContact CE2-CD1 3.73Å; F411-F455 HydrophobicContact CE2-CD1 3.73Å; F411-F455 AromaticContact CE2-CE1 3.86Å; F411-F455 HydrophobicContact CE2-CE1 3.86Å; F411-F455 AromaticContact CZ-CD1 3.99Å; F411-F455 HydrophobicContact CZ-CD1 3.99Å; F411-F455 HydrophobicContact CZ-CE1 4.46Å; F411-R457 HydrophobicContact CB-CG 4.35Å; F411-R457 HydrophobicContact CD1-CB 3.95Å; F411-R457 HydrophobicContact CD1-CG 3.91Å; F411-R457 HydrophobicContact CD2-CG 4.43Å; F411-R457 HydrophobicContact CE1-CB 3.81Å; F411-R457 HydrophobicContact CE1-CG 4.28Å; F411-R457 HydrophobicContact CG-CB 4.4Å; F411-R457 HydrophobicContact CG-CG 4Å; F411-R457 HydrophobicContact CZ-CB 4.12Å; F411-R457 PolarHBondContact O-NH2 3.23Å; F411-R457 VanDerWaalsContact O-NH2 3.16Å; F411-L460 HydrophobicContact CD2-CD1 3.64Å; F411-L460 HydrophobicContact CE2-CD1 4.15Å; F411-L460 HydrophobicContact CG-CD1 4.47Å
412S92.6Very high91.9Very high70 Ų7031.1 Ų31.149%0.4917%0.171SC..Hα-helixtrans-76-25.9172.481.40000112.5N408 F409 V410N408-S412 PolarHBondContact O-N 3.17Å; F409-S412 WeakPolarHBondContact O-CA 3.47Å; F409-S412 WeakPolarHBondContact O-CB 3.42Å; F409-S412 PolarHBondContact O-N 3.46Å; F409-S412 PolarHBondContact O-OG 2.82Å; V410-S412 PolarHBondContact O-N 3.38Å
413L91.1Very high92Very high40 Ų4032.7 Ų32.721%0.20919%0.186CC..Hα-helixtrans-72.9-37173.9-59.4174.9000111.5H228 V230 F409 V410H228-L413 HydrophobicContact CB-CD1 3.88Å; V230-L413 HydrophobicContact CG2-CD1 3.86Å; F409-L413 HydrophobicContact CD1-CD1 4.15Å; F409-L413 HydrophobicContact CD1-CG 4.39Å; F409-L413 HydrophobicContact CE1-CD1 3.9Å; F409-L413 HydrophobicContact CE1-CD2 4.11Å; F409-L413 HydrophobicContact CE1-CG 4.17Å; F409-L413 HydrophobicContact CZ-CD2 4.31Å; F409-L413 PolarHBondContact O-N 3.36Å; V410-L413 WeakPolarHBondContact O-CB 3.4Å; V410-L413 PolarHBondContact O-N 3.43Å; V410-L413 VanDerWaalsContact O-N 3.09Å
414F90.6Very high91.9Very high8 Ų833.8 Ų33.84%0.03519%0.191CC..  trans-109.972.2177.8-60.1-66.7000111.5H228 V244 F388 V410 F411 D416 K417H228-F414 AromaticContact CD2-CE1 3.93Å; H228-F414 AromaticContact CD2-CE2 3.93Å; H228-F414 AromaticContact CD2-CZ 3.49Å; H228-F414 VanDerWaalsContact CD2-CZ 3.49Å; H228-F414 WeakPolarHBondContact CD2-CZ 3.3Å; V244-F414 HydrophobicContact CB-CE2 4.1Å; V244-F414 HydrophobicContact CG2-CE2 3.67Å; V244-F414 HydrophobicContact CG2-CZ 4.3Å; F388-F414 HydrophobicContact CB-CD2 4.16Å; F388-F414 HydrophobicContact CB-CE2 4.27Å; F388-F414 HydrophobicContact CB-CG 4.48Å; F388-F414 HydrophobicContact CD1-CB 4.06Å; F388-F414 AromaticContact CD1-CD2 3.83Å; F388-F414 HydrophobicContact CD1-CD2 3.83Å; F388-F414 HydrophobicContact CD1-CG 4.16Å; F388-F414 AromaticContact CD2-CD2 3.95Å; F388-F414 HydrophobicContact CD2-CD2 3.95Å; F388-F414 HydrophobicContact CD2-CE2 4.04Å; F388-F414 HydrophobicContact CE1-CB 4.37Å; F388-F414 HydrophobicContact CE1-CD2 4.19Å; F388-F414 HydrophobicContact CE2-CD2 4.31Å; F388-F414 AromaticContact CG-CD2 3.7Å; F388-F414 HydrophobicContact CG-CD2 3.7Å; F388-F414 HydrophobicContact CG-CE2 4.06Å; F388-F414 HydrophobicContact CG-CG 4.29Å; F388-F414 HydrophobicContact CZ-CD2 4.42Å; V410-F414 PolarHBondContact O-N 3.46Å; F411-F414 CarbonylContact O-C 3.59Å; F414-D416 PolarHBondContact O-N 3.05Å; F414-K417 HydrophobicContact CB-CB 3.98Å; F414-K417 HydrophobicContact CB-CG 3.85Å; F414-K417 PolarHBondContact O-N 3.32Å; F414-K417 VanDerWaalsContact O-N 3.15Å
415S87.7Confident91.8Very high88 Ų8834.6 Ų34.662%0.61520%0.2SC*.THydrogen-bonded Turntrans-63.7-26.3-173.855.40000114.4R457S415-R457 PolarHBondContact O-NH1 2.78Å
416D89.6Confident91.3Very high86 Ų8634.1 Ų34.146%0.4620%0.197SC..THydrogen-bonded Turntrans-87.4-2.3179.770-54.1000113.7F267 F414F267-D416 VanDerWaalsContact CZ-O 3.26Å; F267-D416 WeakPolarHBondContact CZ-O 3.12Å; F414-D416 PolarHBondContact O-N 3.05Å
417K92.1Very high90.7Very high32 Ų3239.8 Ų39.814%0.13923%0.226CC..  trans-107.3142.8-180-55.1-56-176.4-146.30111.4S385 F388 F414S385-K417 PolarHBondContact O-NZ 3.39Å; F388-K417 HydrophobicContact CD1-CB 3.77Å; F388-K417 HydrophobicContact CD1-CG 4.25Å; F388-K417 HydrophobicContact CE1-CB 4.37Å; F414-K417 HydrophobicContact CB-CB 3.98Å; F414-K417 HydrophobicContact CB-CG 3.85Å; F414-K417 PolarHBondContact O-N 3.32Å; F414-K417 VanDerWaalsContact O-N 3.15Å
418N93.8Very high90.2Very high49 Ų4941.9 Ų41.926%0.26224%0.239SC..  trans-110.1-17.5-179.1-73.4-24.8000113.2F267 A386 H456 R457F267-N418 WeakPolarHBondContact CE1-ND2 3.44Å; A386-N418 HydrophobicContact CB-CB 4.45Å; A386-N418 PolarHBondContact O-N 3.27Å; N418-H456 CarbonylContact O-C 3.53Å; N418-H456 WeakPolarHBondContact O-CA 3.45Å; N418-H456 PolarHBondContact O-CD2 3.36Å; N418-H456 VanDerWaalsContact O-CD2 3.25Å; N418-R457 PolarHBondContact O-N 3.42Å
419F95.2Very high89.6Confident17 Ų1742.5 Ų42.58%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-121.6137.6-176.3-59.6-81.1000111.8F262 L265 A386 A387 F388 V454 F455 H456F262-F419 HydrophobicContact CB-CE1 4.03Å; F262-F419 HydrophobicContact CB-CZ 4.2Å; F262-F419 AromaticContact CD1-CE1 3.8Å; F262-F419 HydrophobicContact CD1-CE1 3.8Å; F262-F419 HydrophobicContact CG-CE1 4.27Å; L265-F419 HydrophobicContact CB-CD2 4.19Å; L265-F419 HydrophobicContact CB-CG 4.48Å; L265-F419 HydrophobicContact CD2-CB 4.29Å; L265-F419 HydrophobicContact CD2-CD1 3.81Å; L265-F419 HydrophobicContact CD2-CD2 4.23Å; L265-F419 HydrophobicContact CD2-CE1 4.13Å; L265-F419 HydrophobicContact CD2-CG 3.85Å; L265-F419 HydrophobicContact CD2-CZ 4.49Å; A386-F419 HydrophobicContact CB-CD2 3.94Å; A386-F419 HydrophobicContact CB-CE2 4.24Å; A386-F419 PolarHBondContact O-N 3.2Å; A387-F419 CarbonylContact C-O 3.58Å; A387-F419 VanDerWaalsContact CA-O 3.3Å; A387-F419 WeakPolarHBondContact CA-O 3.39Å; A387-F419 HydrophobicContact CB-CB 3.99Å; F388-F419 VanDerWaalsContact CD1-O 3.25Å; F388-F419 WeakPolarHBondContact CD1-O 3.42Å; F388-F419 WeakPolarHBondContact CE1-O 3.26Å; F388-F419 PolarHBondContact N-O 3.47Å; F419-V454 HydrophobicContact CD1-CG1 3.83Å; F419-F455 CarbonylContact C-O 3.57Å; F419-F455 WeakPolarHBondContact CA-O 3.35Å; F419-H456 HydrophobicContact CD1-CB 3.96Å; F419-H456 AromaticContact CD1-CD2 3.71Å; F419-H456 HydrophobicContact CE1-CB 3.92Å; F419-H456 AromaticContact CE1-CD2 3.3Å; F419-H456 WeakPolarHBondContact CE1-CD2 3.41Å; F419-H456 AromaticContact CE1-CG 3.94Å; F419-H456 AromaticContact CZ-CD2 3.58Å
420C95.6Very high89.1Confident0 Ų041.7 Ų41.70%025%0.245CC..EExtended strand (participates in β ladder)trans-109.9131.8165.6179.70000108.1F388 M407 F411 F437 F455F388-C420 HydrophobicContact CD2-CB 4.49Å; F388-C420 HydrophobicContact CE1-CB 4.09Å; F388-C420 HydrophobicContact CE2-CB 3.7Å; F388-C420 WeakPolarHBondContact CE2-SG 3.4Å; F388-C420 HydrophobicContact CZ-CB 3.47Å; F388-C420 VanDerWaalsContact CZ-CB 3.47Å; F388-C420 CarbonylContact O-C 3.53Å; F388-C420 WeakPolarHBondContact O-CA 3.47Å; M407-C420 HydrophobicContact CE-CB 3.68Å; F411-C420 HydrophobicContact CE1-CB 4.44Å; F411-C420 HydrophobicContact CE2-CB 4.33Å; F411-C420 HydrophobicContact CZ-CB 3.79Å; C420-F437 HydrophobicContact CB-CE1 4.44Å; C420-F455 HydrophobicContact CB-CB 4.49Å; C420-F455 PolarHBondContact N-O 2.9Å; C420-F455 PolarHBondContact O-N 3.12Å
421I95.6Very high88.7Confident9 Ų943.6 Ų43.65%0.04625%0.253CS..EExtended strand (participates in β ladder)trans-120.4153.417870.9173.3000111.8V248 L253 L265 A387 F388 C389 I390 L452 Y453 V454V248-I421 HydrophobicContact CB-CD1 4.39Å; V248-I421 HydrophobicContact CG1-CD1 3.49Å; V248-I421 VanDerWaalsContact CG1-CD1 3.49Å; V248-I421 HydrophobicContact CG2-CD1 3.94Å; V248-I421 HydrophobicContact CG2-CG1 4.47Å; L253-I421 HydrophobicContact CD1-CD1 3.75Å; L265-I421 HydrophobicContact CD1-CG2 3.93Å; A387-I421 HydrophobicContact CB-CG2 4.43Å; F388-I421 WeakPolarHBondContact O-CG1 3.46Å; F388-I421 PolarHBondContact O-N 3.04Å; C389-I421 CarbonylContact C-O 3.54Å; C389-I421 WeakPolarHBondContact CA-O 3.3Å; C389-I421 HydrophobicContact CB-CD1 4.04Å; C389-I421 HydrophobicContact CB-CG1 3.47Å; C389-I421 VanDerWaalsContact CB-CG1 3.47Å; I390-I421 PolarHBondContact N-O 3.16Å; I421-L452 HydrophobicContact CB-CD1 4.14Å; I421-L452 HydrophobicContact CD1-CD1 4.28Å; I421-Y453 CarbonylContact C-O 3.59Å; I421-Y453 VanDerWaalsContact CA-O 3.26Å; I421-Y453 WeakPolarHBondContact CA-O 3.35Å; I421-V454 HydrophobicContact CG2-CG2 4Å
422I93.8Very high88.3Confident10 Ų1044.3 Ų44.35%0.05126%0.257CS..EExtended strand (participates in β ladder)trans-146138.1170.2-172.8171.2000109.5I390 L424 F431 I434 F437 Y453I390-I422 HydrophobicContact CB-CB 4.2Å; I390-I422 HydrophobicContact CB-CD1 4.03Å; I390-I422 HydrophobicContact CB-CG1 4.19Å; I390-I422 HydrophobicContact CD1-CD1 4.47Å; I390-I422 HydrophobicContact CG2-CD1 3.93Å; I422-L424 HydrophobicContact CD1-CD2 4.07Å; I422-L424 HydrophobicContact CG1-CD2 4.2Å; I422-L424 HydrophobicContact CG1-CG 4.35Å; I422-F431 HydrophobicContact CD1-CZ 4.41Å; I422-I434 HydrophobicContact CD1-CD1 4.16Å; I422-I434 HydrophobicContact CG2-CD1 3.34Å; I422-F437 HydrophobicContact CG2-CD1 4.02Å; I422-F437 HydrophobicContact CG2-CE1 4Å; I422-Y453 PolarHBondContact N-O 3.06Å; I422-Y453 PolarHBondContact O-N 3.01Å
423S90.8Very high88.1Confident58 Ų5841 Ų4141%0.40623%0.234SC..EExtended strand (participates in β ladder)trans-108.8126.9177.253.10000109.7Q450 D451S423-Q450 VanDerWaalsContact CB-OE1 3.31Å; S423-Q450 PolarHBondContact OG-OE1 2.86Å; S423-D451 VanDerWaalsContact CA-O 3.32Å; S423-D451 WeakPolarHBondContact CA-O 3.33Å
424L88.4Confident88.1Confident23 Ų2339.1 Ų39.112%0.1222%0.224CC..EExtended strand (participates in β ladder)trans-125.8141.1-177.6-64.6175.8000111.1I422 F431 I434 Q450 D451 Y453I422-L424 HydrophobicContact CD1-CD2 4.07Å; I422-L424 HydrophobicContact CG1-CD2 4.2Å; I422-L424 HydrophobicContact CG1-CG 4.35Å; L424-F431 HydrophobicContact CD1-CE1 3.83Å; L424-F431 HydrophobicContact CD1-CZ 4.35Å; L424-F431 HydrophobicContact CD2-CE1 4.31Å; L424-I434 HydrophobicContact CD1-CD1 3.82Å; L424-I434 HydrophobicContact CD1-CG1 3.78Å; L424-I434 HydrophobicContact CD1-CG2 4.37Å; L424-Q450 CarbonylContact O-C 3.56Å; L424-Q450 VanDerWaalsContact O-CA 3.27Å; L424-Q450 WeakPolarHBondContact O-CA 3.46Å; L424-D451 PolarHBondContact N-O 3.37Å; L424-D451 PolarHBondContact O-N 3.45Å; L424-Y453 HydrophobicContact CB-CE2 4.39Å; L424-Y453 HydrophobicContact CD1-CD2 4.28Å; L424-Y453 HydrophobicContact CD1-CE2 4.14Å
425P85.9Confident87.8Confident66 Ų6643.5 Ų43.543%0.42925%0.245SC..EExtended strand (participates in β ladder)trans-58.2146170.3-22.231.3000112.3L427 T428P425-L427 PolarHBondContact O-N 3.32Å; P425-T428 WeakPolarHBondContact CD-OG1 3.01Å; P425-T428 VanDerWaalsContact O-CB 3.29Å; P425-T428 WeakPolarHBondContact O-CB 3.12Å; P425-T428 PolarHBondContact O-N 3.26Å; P425-T428 PolarHBondContact O-OG1 3.08Å
426H80.1Confident87.8Confident14 Ų1440 Ų407%0.06522%0.219CC..THydrogen-bonded Turntrans-57.6-25.1-175.6-58.9109.1000115.5E449 D451 N665 K667H426-E449 VanDerWaalsContact CE1-CA 3.45Å; H426-E449 WeakPolarHBondContact CE1-CA 3.4Å; H426-E449 PolarHBondContact CE1-O 3.21Å; H426-E449 PolarHBondContact ND1-O 2.89Å; H426-D451 IonicContact CD2-OD1 2.62Å; H426-D451 IonicContact CD2-OD2 3.07Å; H426-D451 IonicContact NE2-OD1 2.83Å; H426-N665 CarbonylContact O-C 3.49Å; H426-N665 VanDerWaalsContact O-C 3.3Å; H426-N665 WeakPolarHBondContact O-CB 3.4Å; H426-K667 VanDerWaalsContact CE1-CE 3.4Å; H426-K667 WeakPolarHBondContact CE1-CE 3.38Å; H426-K667 PolarHBondContact CE1-NZ 3.48Å; H426-K667 WeakPolarHBondContact NE2-CE 3.39Å; H426-K667 PolarHBondContact NE2-NZ 3.01Å
427L79.4Confident87.9Confident118 Ų11836.6 Ų36.662%0.61820%0.2SC*.THydrogen-bonded Turntrans-91.9-1.7-178.8-59179.4000112.9P425 P429 A666P425-L427 PolarHBondContact O-N 3.32Å; L427-P429 WeakPolarHBondContact O-CD 2.8Å; L427-A666 HydrophobicContact CD2-CB 3.96Å
428T80.7Confident87.7Confident45 Ų4535.6 Ų35.628%0.27620%0.197SC..SBendtrans-73.9122.9178.8-45.10000109.7P425P425-T428 WeakPolarHBondContact CD-OG1 3.01Å; P425-T428 VanDerWaalsContact O-CB 3.29Å; P425-T428 WeakPolarHBondContact O-CB 3.12Å; P425-T428 PolarHBondContact O-N 3.26Å; P425-T428 PolarHBondContact O-OG1 3.08Å
429P78.3Confident87.4Confident102 Ų10234.6 Ų34.666%0.66219%0.19SC*.  trans-61.9145.3173.6-22.334.1000112.1L427 F431L427-P429 WeakPolarHBondContact O-CD 2.8Å; P429-F431 PolarHBondContact O-N 3.41Å
430E82.3Confident87Confident39 Ų3934.2 Ų34.218%0.18219%0.189CC..  trans-72.1112175.4-71-173.2163.500111I434 Y453 T663E430-I434 HydrophobicContact CG-CG2 4.31Å; E430-Y453 PolarHBondContact OE1-OH 2.92Å; E430-T663 HydrophobicContact CG-CG2 4.19Å; E430-T663 WeakPolarHBondContact OE2-CB 3.38Å; E430-T663 PolarHBondContact OE2-OG1 2.92Å
431F85Confident86.3Confident39 Ų3938.8 Ų38.817%0.17122%0.217CC..  trans-85.3165.1171.554.9-88.2000111.9F393 E400 I422 L424 P429 L433 I434 Q435F393-F431 AromaticContact CD1-CD2 3.99Å; F393-F431 HydrophobicContact CD1-CD2 3.99Å; F393-F431 AromaticContact CD1-CE2 3.3Å; F393-F431 HydrophobicContact CD1-CE2 3.3Å; F393-F431 AromaticContact CD1-CZ 3.79Å; F393-F431 HydrophobicContact CD1-CZ 3.79Å; F393-F431 AromaticContact CE1-CD2 3.59Å; F393-F431 HydrophobicContact CE1-CD2 3.59Å; F393-F431 AromaticContact CE1-CE2 3.33Å; F393-F431 HydrophobicContact CE1-CE2 3.33Å; F393-F431 HydrophobicContact CE1-CZ 4.25Å; F393-F431 HydrophobicContact CG-CE2 4.3Å; F393-F431 HydrophobicContact CZ-CE2 4.36Å; E400-F431 WeakPolarHBondContact OE1-CB 3.45Å; I422-F431 HydrophobicContact CD1-CZ 4.41Å; L424-F431 HydrophobicContact CD1-CE1 3.83Å; L424-F431 HydrophobicContact CD1-CZ 4.35Å; L424-F431 HydrophobicContact CD2-CE1 4.31Å; P429-F431 PolarHBondContact O-N 3.41Å; F431-L433 VanDerWaalsContact C-N 3.28Å; F431-L433 HydrophobicContact CD2-CB 3.83Å; F431-L433 HydrophobicContact CE2-CB 3.76Å; F431-L433 HydrophobicContact CE2-CD2 4.31Å; F431-L433 PolarHBondContact O-N 3.13Å; F431-L433 VanDerWaalsContact O-N 3.11Å; F431-I434 HydrophobicContact CD1-CG1 3.95Å; F431-I434 HydrophobicContact CD2-CG1 3.9Å; F431-I434 HydrophobicContact CE1-CD1 4.29Å; F431-I434 HydrophobicContact CE1-CG1 3.51Å; F431-I434 HydrophobicContact CE2-CD1 4.07Å; F431-I434 HydrophobicContact CE2-CG1 3.46Å; F431-I434 VanDerWaalsContact CE2-CG1 3.46Å; F431-I434 HydrophobicContact CG-CG1 4.14Å; F431-I434 HydrophobicContact CZ-CD1 3.72Å; F431-I434 HydrophobicContact CZ-CG1 3.25Å; F431-I434 PolarHBondContact O-N 3.49Å; F431-Q435 PolarHBondContact O-N 3.29Å
432I85.9Confident85.5Confident18 Ų1840.4 Ų40.49%0.09223%0.228CC..THydrogen-bonded Turntrans-56.6-37.2-166.5-64.5172.4000113.3P131 E400 A401 I434 Q435 N436P131-I432 HydrophobicContact CG-CG2 4.09Å; E400-I432 HydrophobicContact CB-CD1 4.1Å; E400-I432 HydrophobicContact CG-CB 4.21Å; E400-I432 HydrophobicContact CG-CD1 3.93Å; E400-I432 HydrophobicContact CG-CG1 4.17Å; E400-I432 PolarHBondContact OE1-N 3.17Å; A401-I432 HydrophobicContact CB-CD1 4.11Å; I432-I434 PolarHBondContact O-N 3.01Å; I432-Q435 PolarHBondContact O-N 2.81Å; I432-N436 PolarHBondContact O-ND2 3.31Å
433L89.5Confident84.6Confident0 Ų041.8 Ų41.80%023%0.233CC..THydrogen-bonded Turntrans-60.2-46.4179-177.260.5000111.6M242 I390 F393 S403 L404 M407 F431 Q435 N436 F437M242-L433 HydrophobicContact CE-CD2 3.67Å; I390-L433 HydrophobicContact CD1-CD2 4.47Å; F393-L433 HydrophobicContact CD2-CD2 4.04Å; F393-L433 HydrophobicContact CE1-CD2 4.32Å; F393-L433 HydrophobicContact CE2-CD2 3.81Å; F393-L433 HydrophobicContact CG-CD2 4.38Å; F393-L433 HydrophobicContact CZ-CB 4.37Å; F393-L433 HydrophobicContact CZ-CD2 3.96Å; S403-L433 PolarHBondContact OG-N 3.17Å; L404-L433 HydrophobicContact CD1-CD1 4.18Å; M407-L433 HydrophobicContact CG-CD1 4.19Å; M407-L433 HydrophobicContact SD-CD1 4.34Å; F431-L433 VanDerWaalsContact C-N 3.28Å; F431-L433 HydrophobicContact CD2-CB 3.83Å; F431-L433 HydrophobicContact CE2-CB 3.76Å; F431-L433 HydrophobicContact CE2-CD2 4.31Å; F431-L433 PolarHBondContact O-N 3.13Å; F431-L433 VanDerWaalsContact O-N 3.11Å; L433-Q435 VanDerWaalsContact C-N 3.27Å; L433-Q435 PolarHBondContact O-N 3.15Å; L433-N436 WeakPolarHBondContact O-CB 3.46Å; L433-N436 PolarHBondContact O-N 2.97Å; L433-N436 VanDerWaalsContact O-N 3.16Å; L433-N436 PolarHBondContact O-ND2 3.01Å; L433-F437 HydrophobicContact CD1-CE2 4.16Å; L433-F437 HydrophobicContact CG-CE2 4.04Å; L433-F437 WeakPolarHBondContact O-CD2 3.28Å
434I89.2Confident83.3Confident1 Ų143 Ų431%0.00524%0.242CC..G310 helixtrans-67.8-26.8-175.1-62.3-62.5000112.4I422 L424 E430 F431 I432 N436 F437 Y453I422-I434 HydrophobicContact CD1-CD1 4.16Å; I422-I434 HydrophobicContact CG2-CD1 3.34Å; L424-I434 HydrophobicContact CD1-CD1 3.82Å; L424-I434 HydrophobicContact CD1-CG1 3.78Å; L424-I434 HydrophobicContact CD1-CG2 4.37Å; E430-I434 HydrophobicContact CG-CG2 4.31Å; F431-I434 HydrophobicContact CD1-CG1 3.95Å; F431-I434 HydrophobicContact CD2-CG1 3.9Å; F431-I434 HydrophobicContact CE1-CD1 4.29Å; F431-I434 HydrophobicContact CE1-CG1 3.51Å; F431-I434 HydrophobicContact CE2-CD1 4.07Å; F431-I434 HydrophobicContact CE2-CG1 3.46Å; F431-I434 VanDerWaalsContact CE2-CG1 3.46Å; F431-I434 HydrophobicContact CG-CG1 4.14Å; F431-I434 HydrophobicContact CZ-CD1 3.72Å; F431-I434 HydrophobicContact CZ-CG1 3.25Å; F431-I434 PolarHBondContact O-N 3.49Å; I432-I434 PolarHBondContact O-N 3.01Å; I434-N436 PolarHBondContact O-N 3.25Å; I434-F437 WeakPolarHBondContact O-CB 3.23Å; I434-F437 PolarHBondContact O-N 3.31Å; I434-Y453 HydrophobicContact CG2-CD1 3.46Å; I434-Y453 VanDerWaalsContact CG2-CD1 3.46Å; I434-Y453 HydrophobicContact CG2-CD2 4.28Å; I434-Y453 HydrophobicContact CG2-CE1 3.32Å; I434-Y453 HydrophobicContact CG2-CE2 4.19Å; I434-Y453 HydrophobicContact CG2-CG 3.93Å
435Q85.7Confident82.2Confident99 Ų9945.3 Ų45.346%0.46326%0.257SS..G310 helixtrans-60.8-18.5175.7-62.1178.31100112.8F431 I432 L433F431-Q435 PolarHBondContact O-N 3.29Å; I432-Q435 PolarHBondContact O-N 2.81Å; L433-Q435 VanDerWaalsContact C-N 3.27Å; L433-Q435 PolarHBondContact O-N 3.15Å
436N87.6Confident81.5Confident15 Ų1542.9 Ų42.98%0.0824%0.241CC..G310 helixtrans-86.5-16174.1-59.2-75.7000113.6L404 I432 L433 I434 F455L404-N436 HydrophobicContact CD1-CB 4.16Å; I432-N436 PolarHBondContact O-ND2 3.31Å; L433-N436 WeakPolarHBondContact O-CB 3.46Å; L433-N436 PolarHBondContact O-N 2.97Å; L433-N436 VanDerWaalsContact O-N 3.16Å; L433-N436 PolarHBondContact O-ND2 3.01Å; I434-N436 PolarHBondContact O-N 3.25Å; N436-F455 HydrophobicContact CB-CD2 4.3Å; N436-F455 HydrophobicContact CB-CE2 4.1Å; N436-F455 WeakPolarHBondContact O-CD2 3.46Å
437F90.8Very high81Confident15 Ų1547 Ų477%0.06627%0.267CS..SBendtrans-87.4153.9-177.5-74-125000110.6I390 M407 C420 I422 L433 I434 Y453 F455I390-F437 HydrophobicContact CD1-CZ 4.17Å; M407-F437 HydrophobicContact CE-CZ 4.11Å; M407-F437 HydrophobicContact SD-CZ 4.33Å; C420-F437 HydrophobicContact CB-CE1 4.44Å; I422-F437 HydrophobicContact CG2-CD1 4.02Å; I422-F437 HydrophobicContact CG2-CE1 4Å; L433-F437 HydrophobicContact CD1-CE2 4.16Å; L433-F437 HydrophobicContact CG-CE2 4.04Å; L433-F437 WeakPolarHBondContact O-CD2 3.28Å; I434-F437 WeakPolarHBondContact O-CB 3.23Å; I434-F437 PolarHBondContact O-N 3.31Å; F437-Y453 HydrophobicContact CB-CD1 4.12Å; F437-Y453 HydrophobicContact CB-CG 4.46Å; F437-F455 HydrophobicContact CD1-CB 3.47Å; F437-F455 VanDerWaalsContact CD1-CB 3.47Å; F437-F455 HydrophobicContact CD2-CB 3.85Å; F437-F455 HydrophobicContact CD2-CD2 4.07Å; F437-F455 HydrophobicContact CD2-CG 4.27Å; F437-F455 HydrophobicContact CE1-CB 3.37Å; F437-F455 HydrophobicContact CE1-CG 4.47Å; F437-F455 HydrophobicContact CE2-CB 3.75Å; F437-F455 HydrophobicContact CE2-CD2 4.17Å; F437-F455 HydrophobicContact CE2-CG 4.07Å; F437-F455 HydrophobicContact CG-CB 3.71Å; F437-F455 HydrophobicContact CZ-CB 3.51Å; F437-F455 HydrophobicContact CZ-CG 4.17Å
438V88.4Confident81Confident11 Ų1143.5 Ų43.57%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-91.1116.8172-175.80000108.6F262 M440 Y453 V454 P565 R568F262-V438 HydrophobicContact CE2-CB 4.44Å; F262-V438 HydrophobicContact CE2-CG1 4.14Å; F262-V438 HydrophobicContact CZ-CB 4.02Å; F262-V438 HydrophobicContact CZ-CG1 4.01Å; F262-V438 HydrophobicContact CZ-CG2 4.08Å; V438-M440 HydrophobicContact CG1-SD 4.39Å; V438-M440 PolarHBondContact O-N 3.48Å; V438-Y453 WeakPolarHBondContact O-CA 3.29Å; V438-V454 PolarHBondContact N-O 2.9Å; V438-V454 PolarHBondContact O-N 2.86Å; V438-P565 VanDerWaalsContact CG2-O 3.32Å; V438-P565 WeakPolarHBondContact CG2-O 3.3Å; V438-R568 HydrophobicContact CG2-CB 4.01Å
439K87.1Confident80.8Confident28 Ų2848.3 Ų48.312%0.12227%0.269CS..EExtended strand (participates in β ladder)trans-66.3126.9168-175.2175.5179.1166.90109.5D451 Y453 N665 N693 N694K439-D451 WeakPolarHBondContact CE-OD1 3.44Å; K439-D451 WeakPolarHBondContact CE-OD2 3.49Å; K439-D451 IonicContact NZ-OD1 3.8Å; K439-D451 PolarHBondContact NZ-OD1 2.8Å; K439-D451 IonicContact NZ-OD2 3.97Å; K439-D451 PolarHBondContact NZ-OD2 2.99Å; K439-Y453 HydrophobicContact CB-CD1 3.97Å; K439-Y453 HydrophobicContact CB-CE1 3.72Å; K439-Y453 HydrophobicContact CD-CE1 4.43Å; K439-Y453 HydrophobicContact CG-CE1 4.16Å; K439-N665 PolarHBondContact NZ-OD1 3.36Å; K439-N693 HydrophobicContact CD-CB 4.36Å; K439-N694 PolarHBondContact NZ-ND2 3.35Å
440M86.4Confident81.1Confident8 Ų847.6 Ų47.64%0.03926%0.256CS..PPolyproline II helixtrans-83.4145.7178.1-60.1-48.3-58.400111.2F257 D258 L259 F262 V438 P442 L452 V454F257-M440 HydrophobicContact CB-CB 4.36Å; F257-M440 HydrophobicContact CD1-CB 4.1Å; F257-M440 HydrophobicContact CG-CB 4.47Å; D258-M440 WeakPolarHBondContact O-CE 3.48Å; L259-M440 HydrophobicContact CD2-CB 4.46Å; L259-M440 HydrophobicContact CD2-CE 3.79Å; L259-M440 HydrophobicContact CD2-CG 4.07Å; F262-M440 HydrophobicContact CD2-CE 3.57Å; F262-M440 HydrophobicContact CD2-SD 3.75Å; F262-M440 HydrophobicContact CE2-CE 3.7Å; F262-M440 HydrophobicContact CE2-SD 3.46Å; F262-M440 WeakPolarHBondContact CE2-SD 3.44Å; V438-M440 HydrophobicContact CG1-SD 4.39Å; V438-M440 PolarHBondContact O-N 3.48Å; M440-P442 WeakPolarHBondContact O-CD 3.33Å; M440-L452 HydrophobicContact CB-CB 4.3Å; M440-L452 HydrophobicContact CB-CD2 4.2Å; M440-L452 HydrophobicContact CB-CG 4.43Å; M440-L452 HydrophobicContact CG-CD2 3.93Å; M440-L452 HydrophobicContact CG-CG 4.13Å; M440-L452 PolarHBondContact N-O 2.9Å; M440-V454 HydrophobicContact CG-CB 4.33Å; M440-V454 HydrophobicContact CG-CG2 3.49Å; M440-V454 VanDerWaalsContact CG-CG2 3.49Å; M440-V454 HydrophobicContact SD-CB 4.08Å; M440-V454 HydrophobicContact SD-CG2 3.76Å
441V80.7Confident81.3Confident97 Ų9745.9 Ų45.959%0.58825%0.249SC*.PPolyproline II helixtrans-81.7119.6177.8-177.80000108.2D258D258-V441 PolarHBondContact N-O 3.22Å
442P79.2Confident81.6Confident43 Ų4344.3 Ų44.328%0.27924%0.242SC..BIsolated β-bridgetrans-71.1146.6173.429.4-33.1000110.4C256 F257 M440 C446C256-P442 WeakPolarHBondContact O-CA 3.32Å; F257-P442 HydrophobicContact CD1-CB 4.02Å; F257-P442 HydrophobicContact CE1-CB 4.01Å; M440-P442 WeakPolarHBondContact O-CD 3.33Å; P442-C446 HydrophobicContact CB-CB 3.87Å
443F75.3Confident81.9Confident39 Ų3943.6 Ų43.617%0.17124%0.238CC..PPolyproline II helixtrans-68.5156.9167.8-68-56.3000110.8C256 F257 D258 T445 C446C256-F443 PolarHBondContact O-N 2.83Å; F257-F443 WeakPolarHBondContact O-CE2 3.4Å; D258-F443 HydrophobicContact CB-CE1 3.84Å; D258-F443 HydrophobicContact CB-CZ 4.01Å; F443-T445 PolarHBondContact O-N 2.98Å; F443-C446 WeakPolarHBondContact O-CB 3.04Å; F443-C446 PolarHBondContact O-N 3.1Å
444S63Low82.1Confident84 Ų8443.6 Ų43.659%0.58724%0.238SC*.THydrogen-bonded Turntrans-56.9-23.7176.155.10000113.7
445T65.1Low82.4Confident71 Ų7143.8 Ų43.844%0.43624%0.239SC..THydrogen-bonded Turntrans-91.40.1179.250.50000113.8R378 F443 T447R378-T445 PolarHBondContact NH2-OG1 3.38Å; F443-T445 PolarHBondContact O-N 2.98Å; T445-T447 PolarHBondContact O-N 3.09Å
446C72.8Confident82.8Confident14 Ų1440.6 Ų40.610%0.09522%0.224CC..  trans-68.2121.2-178.8-176.90000111.2C256 P442 F443C256-C446 HydrophobicContact CB-CB 4.31Å; C256-C446 VanDerWaalsContact CB-SG 3.6Å; C256-C446 WeakPolarHBondContact O-CB 3.09Å; P442-C446 HydrophobicContact CB-CB 3.87Å; F443-C446 WeakPolarHBondContact O-CB 3.04Å; F443-C446 PolarHBondContact O-N 3.1Å
447T69.4Low83Confident100 Ų10044 Ų4461%0.61324%0.236SC*.  trans-98.21.9178.453.60000113.3T445T445-T447 PolarHBondContact O-N 3.09Å
448L78.7Confident83Confident46 Ų4644.5 Ų44.524%0.24124%0.242CC..  trans-73.5139.6-177.6-64.2174.4000112L252 C256 F257 Q450 K667L252-L448 HydrophobicContact CD2-CD1 4.44Å; L252-L448 HydrophobicContact CD2-CD2 4.38Å; L252-L448 HydrophobicContact CG-CD1 4.36Å; C256-L448 HydrophobicContact CB-CD1 3.88Å; F257-L448 HydrophobicContact CE2-CD1 3.79Å; F257-L448 HydrophobicContact CZ-CD1 4.25Å; L448-Q450 PolarHBondContact O-N 2.94Å; L448-K667 PolarHBondContact O-NZ 2.97Å
449E76.1Confident83Confident146 Ų14644.1 Ų44.168%0.68224%0.24SC*.SBendtrans-85.29.5176.6-67.2-173178.600113.3H426H426-E449 VanDerWaalsContact CE1-CA 3.45Å; H426-E449 WeakPolarHBondContact CE1-CA 3.4Å; H426-E449 PolarHBondContact CE1-O 3.21Å; H426-E449 PolarHBondContact ND1-O 2.89Å
450Q84.8Confident83.1Confident87 Ų8744.1 Ų44.141%0.40724%0.241SC..EExtended strand (participates in β ladder)trans-126.7142-175.3-63.4177.5-16.200111.3S423 L424 L448S423-Q450 VanDerWaalsContact CB-OE1 3.31Å; S423-Q450 PolarHBondContact OG-OE1 2.86Å; L424-Q450 CarbonylContact O-C 3.56Å; L424-Q450 VanDerWaalsContact O-CA 3.27Å; L424-Q450 WeakPolarHBondContact O-CA 3.46Å; L448-Q450 PolarHBondContact O-N 2.94Å
451D87Confident83.1Confident3 Ų347.1 Ų47.12%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-82.8135.5168.8-75.6-45.3000110S423 L424 H426 K439 Y453S423-D451 VanDerWaalsContact CA-O 3.32Å; S423-D451 WeakPolarHBondContact CA-O 3.33Å; L424-D451 PolarHBondContact N-O 3.37Å; L424-D451 PolarHBondContact O-N 3.45Å; H426-D451 IonicContact CD2-OD1 2.62Å; H426-D451 IonicContact CD2-OD2 3.07Å; H426-D451 IonicContact NE2-OD1 2.83Å; K439-D451 WeakPolarHBondContact CE-OD1 3.44Å; K439-D451 WeakPolarHBondContact CE-OD2 3.49Å; K439-D451 IonicContact NZ-OD1 3.8Å; K439-D451 PolarHBondContact NZ-OD1 2.8Å; K439-D451 IonicContact NZ-OD2 3.97Å; K439-D451 PolarHBondContact NZ-OD2 2.99Å; D451-Y453 HydrophobicContact CB-CD2 4.4Å; D451-Y453 HydrophobicContact CB-CE2 3.76Å
452L91.4Very high82.8Confident5 Ų547.9 Ų47.93%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-96.8129.6176.7-179.670.3000110.9L253 F257 L259 I421 M440 V454L253-L452 HydrophobicContact CD1-CD2 4.45Å; L253-L452 HydrophobicContact CD2-CD1 4.35Å; L253-L452 HydrophobicContact CD2-CD2 4.11Å; F257-L452 HydrophobicContact CB-CD2 4.31Å; F257-L452 HydrophobicContact CD1-CB 3.99Å; F257-L452 HydrophobicContact CD1-CD2 4.39Å; F257-L452 HydrophobicContact CD2-CB 4.18Å; F257-L452 HydrophobicContact CD2-CD2 3.71Å; F257-L452 HydrophobicContact CE1-CB 3.63Å; F257-L452 HydrophobicContact CE2-CB 3.83Å; F257-L452 HydrophobicContact CE2-CD2 4.08Å; F257-L452 HydrophobicContact CG-CB 4.26Å; F257-L452 HydrophobicContact CG-CD2 3.88Å; F257-L452 HydrophobicContact CZ-CB 3.55Å; L259-L452 HydrophobicContact CD2-CD2 4.08Å; I421-L452 HydrophobicContact CB-CD1 4.14Å; I421-L452 HydrophobicContact CD1-CD1 4.28Å; M440-L452 HydrophobicContact CB-CB 4.3Å; M440-L452 HydrophobicContact CB-CD2 4.2Å; M440-L452 HydrophobicContact CB-CG 4.43Å; M440-L452 HydrophobicContact CG-CD2 3.93Å; M440-L452 HydrophobicContact CG-CG 4.13Å; M440-L452 PolarHBondContact N-O 2.9Å; L452-V454 HydrophobicContact CD2-CG2 4.4Å; L452-V454 HydrophobicContact CG-CG2 4.33Å
453Y92.6Very high83Confident3 Ų349.5 Ų49.51%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-117.9134.9176.2-70.5-92.7000110I421 I422 L424 E430 I434 F437 V438 K439 D451 N665I421-Y453 CarbonylContact C-O 3.59Å; I421-Y453 VanDerWaalsContact CA-O 3.26Å; I421-Y453 WeakPolarHBondContact CA-O 3.35Å; I422-Y453 PolarHBondContact N-O 3.06Å; I422-Y453 PolarHBondContact O-N 3.01Å; L424-Y453 HydrophobicContact CB-CE2 4.39Å; L424-Y453 HydrophobicContact CD1-CD2 4.28Å; L424-Y453 HydrophobicContact CD1-CE2 4.14Å; E430-Y453 PolarHBondContact OE1-OH 2.92Å; I434-Y453 HydrophobicContact CG2-CD1 3.46Å; I434-Y453 VanDerWaalsContact CG2-CD1 3.46Å; I434-Y453 HydrophobicContact CG2-CD2 4.28Å; I434-Y453 HydrophobicContact CG2-CE1 3.32Å; I434-Y453 HydrophobicContact CG2-CE2 4.19Å; I434-Y453 HydrophobicContact CG2-CG 3.93Å; F437-Y453 HydrophobicContact CB-CD1 4.12Å; F437-Y453 HydrophobicContact CB-CG 4.46Å; V438-Y453 WeakPolarHBondContact O-CA 3.29Å; K439-Y453 HydrophobicContact CB-CD1 3.97Å; K439-Y453 HydrophobicContact CB-CE1 3.72Å; K439-Y453 HydrophobicContact CD-CE1 4.43Å; K439-Y453 HydrophobicContact CG-CE1 4.16Å; D451-Y453 HydrophobicContact CB-CD2 4.4Å; D451-Y453 HydrophobicContact CB-CE2 3.76Å; Y453-N665 PolarHBondContact OH-ND2 2.98Å
454V93.9Very high83.7Confident1 Ų148.3 Ų48.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-124134.1-176.8177.60000110.4L265 F419 I421 V438 M440 L452L265-V454 HydrophobicContact CD1-CG2 4.34Å; L265-V454 HydrophobicContact CD2-CG1 3.67Å; L265-V454 HydrophobicContact CD2-CG2 4.18Å; F419-V454 HydrophobicContact CD1-CG1 3.83Å; I421-V454 HydrophobicContact CG2-CG2 4Å; V438-V454 PolarHBondContact N-O 2.9Å; V438-V454 PolarHBondContact O-N 2.86Å; M440-V454 HydrophobicContact CG-CB 4.33Å; M440-V454 HydrophobicContact CG-CG2 3.49Å; M440-V454 VanDerWaalsContact CG-CG2 3.49Å; M440-V454 HydrophobicContact SD-CB 4.08Å; M440-V454 HydrophobicContact SD-CG2 3.76Å; L452-V454 HydrophobicContact CD2-CG2 4.4Å; L452-V454 HydrophobicContact CG-CG2 4.33Å
455F94.4Very high85Confident5 Ų549.3 Ų49.32%0.02226%0.256CS..EExtended strand (participates in β ladder)trans-127.1128.6172.2-175.2-88.9000110.4L404 M407 F411 F419 C420 N436 F437 L460L404-F455 HydrophobicContact CD1-CE2 4.39Å; L404-F455 HydrophobicContact CD1-CZ 4.38Å; M407-F455 HydrophobicContact CE-CD1 3.84Å; M407-F455 HydrophobicContact CE-CE1 4.31Å; M407-F455 HydrophobicContact CE-CG 4.47Å; F411-F455 AromaticContact CE2-CD1 3.73Å; F411-F455 HydrophobicContact CE2-CD1 3.73Å; F411-F455 AromaticContact CE2-CE1 3.86Å; F411-F455 HydrophobicContact CE2-CE1 3.86Å; F411-F455 AromaticContact CZ-CD1 3.99Å; F411-F455 HydrophobicContact CZ-CD1 3.99Å; F411-F455 HydrophobicContact CZ-CE1 4.46Å; F419-F455 CarbonylContact C-O 3.57Å; F419-F455 WeakPolarHBondContact CA-O 3.35Å; C420-F455 HydrophobicContact CB-CB 4.49Å; C420-F455 PolarHBondContact N-O 2.9Å; C420-F455 PolarHBondContact O-N 3.12Å; N436-F455 HydrophobicContact CB-CD2 4.3Å; N436-F455 HydrophobicContact CB-CE2 4.1Å; N436-F455 WeakPolarHBondContact O-CD2 3.46Å; F437-F455 HydrophobicContact CD1-CB 3.47Å; F437-F455 VanDerWaalsContact CD1-CB 3.47Å; F437-F455 HydrophobicContact CD2-CB 3.85Å; F437-F455 HydrophobicContact CD2-CD2 4.07Å; F437-F455 HydrophobicContact CD2-CG 4.27Å; F437-F455 HydrophobicContact CE1-CB 3.37Å; F437-F455 HydrophobicContact CE1-CG 4.47Å; F437-F455 HydrophobicContact CE2-CB 3.75Å; F437-F455 HydrophobicContact CE2-CD2 4.17Å; F437-F455 HydrophobicContact CE2-CG 4.07Å; F437-F455 HydrophobicContact CG-CB 3.71Å; F437-F455 HydrophobicContact CZ-CB 3.51Å; F437-F455 HydrophobicContact CZ-CG 4.17Å; F455-L460 HydrophobicContact CE1-CD2 3.87Å; F455-L460 HydrophobicContact CE1-CG 3.84Å; F455-L460 HydrophobicContact CZ-CD2 3.83Å; F455-L460 HydrophobicContact CZ-CG 4.07Å
456H93.9Very high86.4Confident32 Ų3246.1 Ų46.115%0.14824%0.236CC..EExtended strand (participates in β ladder)trans-97.1144.7178.6-179.9-97.7000111.1N418 F419 A458 G459 I566N418-H456 CarbonylContact O-C 3.53Å; N418-H456 WeakPolarHBondContact O-CA 3.45Å; N418-H456 PolarHBondContact O-CD2 3.36Å; N418-H456 VanDerWaalsContact O-CD2 3.25Å; F419-H456 HydrophobicContact CD1-CB 3.96Å; F419-H456 AromaticContact CD1-CD2 3.71Å; F419-H456 HydrophobicContact CE1-CB 3.92Å; F419-H456 AromaticContact CE1-CD2 3.3Å; F419-H456 WeakPolarHBondContact CE1-CD2 3.41Å; F419-H456 AromaticContact CE1-CG 3.94Å; F419-H456 AromaticContact CZ-CD2 3.58Å; H456-A458 VanDerWaalsContact C-N 3.26Å; H456-A458 VanDerWaalsContact CE1-CB 3.49Å; H456-A458 WeakPolarHBondContact CE1-CB 3.32Å; H456-A458 VanDerWaalsContact ND1-CB 3.29Å; H456-A458 WeakPolarHBondContact ND1-CB 3.45Å; H456-A458 PolarHBondContact ND1-N 2.91Å; H456-A458 VanDerWaalsContact ND1-N 3.11Å; H456-A458 PolarHBondContact O-N 3.41Å; H456-G459 WeakPolarHBondContact O-CA 3.38Å; H456-G459 PolarHBondContact O-N 2.89Å; H456-I566 HydrophobicContact CB-CB 4.48Å; H456-I566 HydrophobicContact CB-CG1 4Å; H456-I566 HydrophobicContact CB-CG2 4Å
457R92.6Very high87.5Confident87 Ų8748.2 Ų48.233%0.32824%0.242SC..G310 helixtrans-53.2-39.7-177.6-169.6178.5-164.4164.97.8113.5F411 S415 N418 G459 L460F411-R457 HydrophobicContact CB-CG 4.35Å; F411-R457 HydrophobicContact CD1-CB 3.95Å; F411-R457 HydrophobicContact CD1-CG 3.91Å; F411-R457 HydrophobicContact CD2-CG 4.43Å; F411-R457 HydrophobicContact CE1-CB 3.81Å; F411-R457 HydrophobicContact CE1-CG 4.28Å; F411-R457 HydrophobicContact CG-CB 4.4Å; F411-R457 HydrophobicContact CG-CG 4Å; F411-R457 HydrophobicContact CZ-CB 4.12Å; F411-R457 PolarHBondContact O-NH2 3.23Å; F411-R457 VanDerWaalsContact O-NH2 3.16Å; S415-R457 PolarHBondContact O-NH1 2.78Å; N418-R457 PolarHBondContact O-N 3.42Å; R457-G459 PolarHBondContact O-N 3.04Å; R457-L460 WeakPolarHBondContact O-CB 3.4Å; R457-L460 PolarHBondContact O-N 3.13Å
458A91.1Very high88.7Confident25 Ų2546.6 Ų46.621%0.20723%0.226CC..G310 helixtrans-64.5-17.5177.600000113.4H456 L460 L461 I566 F567H456-A458 VanDerWaalsContact C-N 3.26Å; H456-A458 VanDerWaalsContact CE1-CB 3.49Å; H456-A458 WeakPolarHBondContact CE1-CB 3.32Å; H456-A458 VanDerWaalsContact ND1-CB 3.29Å; H456-A458 WeakPolarHBondContact ND1-CB 3.45Å; H456-A458 PolarHBondContact ND1-N 2.91Å; H456-A458 VanDerWaalsContact ND1-N 3.11Å; H456-A458 PolarHBondContact O-N 3.41Å; A458-L460 PolarHBondContact O-N 2.9Å; A458-L461 HydrophobicContact CB-CD1 4.1Å; A458-L461 VanDerWaalsContact O-CB 3.26Å; A458-L461 WeakPolarHBondContact O-CB 3.13Å; A458-L461 VanDerWaalsContact O-CG 3.24Å; A458-L461 WeakPolarHBondContact O-CG 3.48Å; A458-L461 PolarHBondContact O-N 3.46Å; A458-L461 VanDerWaalsContact O-N 3.08Å; A458-I566 HydrophobicContact CB-CG2 4.15Å; A458-F567 HydrophobicContact CB-CZ 4.19Å; A458-F567 WeakPolarHBondContact O-CE1 3.46Å
459G88.3Confident89.5Confident2 Ų244.7 Ų44.72%0.02122%0.217CC..G310 helixtrans-64.2-14.3170.900000113.9H456 R457 L461 H569H456-G459 WeakPolarHBondContact O-CA 3.38Å; H456-G459 PolarHBondContact O-N 2.89Å; R457-G459 PolarHBondContact O-N 3.04Å; G459-L461 VanDerWaalsContact C-N 3.27Å; G459-H569 PolarHBondContact O-NE2 2.74Å
460L88.4Confident90.4Very high28 Ų2840.5 Ų40.515%0.14720%0.202CC..G310 helixtrans-77.9-11.3172.8-62.9172.1000113.4M407 F411 F455 R457 A458 K462M407-L460 HydrophobicContact CB-CD1 4.37Å; M407-L460 HydrophobicContact CB-CD2 3.67Å; F411-L460 HydrophobicContact CD2-CD1 3.64Å; F411-L460 HydrophobicContact CE2-CD1 4.15Å; F411-L460 HydrophobicContact CG-CD1 4.47Å; F455-L460 HydrophobicContact CE1-CD2 3.87Å; F455-L460 HydrophobicContact CE1-CG 3.84Å; F455-L460 HydrophobicContact CZ-CD2 3.83Å; F455-L460 HydrophobicContact CZ-CG 4.07Å; R457-L460 WeakPolarHBondContact O-CB 3.4Å; R457-L460 PolarHBondContact O-N 3.13Å; A458-L460 PolarHBondContact O-N 2.9Å; L460-K462 PolarHBondContact O-N 2.83Å
461L86.7Confident90.7Very high71 Ų7143.8 Ų43.837%0.37222%0.215SC..  trans-68.7106.4179.2-63.3174.2000109.6A458 G459 S463 V516 Y570A458-L461 HydrophobicContact CB-CD1 4.1Å; A458-L461 VanDerWaalsContact O-CB 3.26Å; A458-L461 WeakPolarHBondContact O-CB 3.13Å; A458-L461 VanDerWaalsContact O-CG 3.24Å; A458-L461 WeakPolarHBondContact O-CG 3.48Å; A458-L461 PolarHBondContact O-N 3.46Å; A458-L461 VanDerWaalsContact O-N 3.08Å; G459-L461 VanDerWaalsContact C-N 3.27Å; L461-S463 PolarHBondContact O-N 2.9Å; L461-V516 HydrophobicContact CB-CG1 4.07Å; L461-V516 HydrophobicContact CD1-CG1 3.61Å; L461-Y570 PolarHBondContact O-OH 3.22Å
462K75.4Confident91Very high113 Ų11350.7 Ų50.749%0.49125%0.251SS..  trans-78.52.3-179.7-58.2-173.1179.8-175.50114L460L460-K462 PolarHBondContact O-N 2.83Å
463S81.4Confident91.2Very high78 Ų7851 Ų5155%0.54525%0.253SS..  trans-102.344.4-172.263.50000112.7L461 H465L461-S463 PolarHBondContact O-N 2.9Å; S463-H465 PolarHBondContact O-N 2.88Å
464I90Very high91.2Very high14 Ų1452.9 Ų52.97%0.07227%0.265CS..  trans-77.4121171.8-176.5165.9000109.8L100 A514 V516 Y570 F573L100-I464 HydrophobicContact CD2-CG2 4.21Å; I464-A514 HydrophobicContact CD1-CB 4.27Å; I464-A514 HydrophobicContact CG1-CB 4.49Å; I464-V516 HydrophobicContact CB-CG2 3.8Å; I464-V516 HydrophobicContact CD1-CG2 4.19Å; I464-V516 HydrophobicContact CG1-CG2 3.8Å; I464-Y570 HydrophobicContact CB-CD2 4.34Å; I464-Y570 HydrophobicContact CB-CE2 4.41Å; I464-Y570 HydrophobicContact CD1-CD2 3.85Å; I464-Y570 HydrophobicContact CD1-CG 3.99Å; I464-Y570 HydrophobicContact CG2-CD1 3.94Å; I464-Y570 HydrophobicContact CG2-CD2 3.92Å; I464-Y570 HydrophobicContact CG2-CE1 4Å; I464-Y570 HydrophobicContact CG2-CE2 3.93Å; I464-Y570 HydrophobicContact CG2-CG 3.93Å; I464-F573 HydrophobicContact CG2-CD1 3.92Å; I464-F573 HydrophobicContact CG2-CE1 3.82Å
465H91.9Very high91.3Very high105 Ų10557 Ų5749%0.48629%0.292SS..EExtended strand (participates in β ladder)trans-110.7127.4178.5-170.561000110.1S463 A514 E515S463-H465 PolarHBondContact O-N 2.88Å; H465-A514 WeakPolarHBondContact O-CA 3.45Å; H465-E515 PolarHBondContact N-O 2.89Å; H465-E515 PolarHBondContact O-N 3.35Å
466I94.8Very high91.2Very high4 Ų458 Ų582%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-111.8128.9176.5-65.2153.9000108.2V513 A514 F573 F574 E577 L581I466-V513 WeakPolarHBondContact CA-O 3.11Å; I466-A514 HydrophobicContact CG1-CB 4.09Å; I466-F573 HydrophobicContact CD1-CD1 3.6Å; I466-F573 HydrophobicContact CD1-CE1 3.48Å; I466-F573 VanDerWaalsContact CD1-CE1 3.48Å; I466-F573 HydrophobicContact CD1-CG 4.36Å; I466-F573 HydrophobicContact CD1-CZ 4.12Å; I466-F573 HydrophobicContact CG1-CE1 4.37Å; I466-F574 HydrophobicContact CB-CD2 4.47Å; I466-F574 HydrophobicContact CD1-CB 3.99Å; I466-F574 HydrophobicContact CD1-CD2 3.71Å; I466-F574 HydrophobicContact CD1-CG 4.06Å; I466-F574 HydrophobicContact CG1-CD2 3.88Å; I466-F574 HydrophobicContact CG1-CE2 4.25Å; I466-F574 HydrophobicContact CG1-CG 4.44Å; I466-F574 HydrophobicContact CG2-CD2 3.74Å; I466-F574 HydrophobicContact CG2-CE2 3.64Å; I466-E577 HydrophobicContact CB-CB 4.03Å; I466-E577 HydrophobicContact CB-CG 4.25Å; I466-E577 HydrophobicContact CD1-CB 3.81Å; I466-E577 HydrophobicContact CD1-CG 3.76Å; I466-E577 HydrophobicContact CG2-CB 3.8Å; I466-L581 HydrophobicContact CG2-CD1 4.14Å
467R94.6Very high91.1Very high57 Ų5756.4 Ų56.422%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-148.2169.4-177.357.4173.4177.277.5-1.6111D473 F512 V513 E515R467-D473 IonicContact CZ-OD1 3.87Å; R467-D473 IonicContact CZ-OD2 2.73Å; R467-D473 IonicContact NH1-OD1 2.66Å; R467-D473 PolarHBondContact NH1-OD1 3.32Å; R467-D473 IonicContact NH1-OD2 3.46Å; R467-D473 PolarHBondContact NH1-OD2 3.01Å; R467-D473 IonicContact NH2-OD1 3.61Å; R467-D473 PolarHBondContact NH2-OD1 2.92Å; R467-D473 IonicContact NH2-OD2 2.78Å; R467-F512 CarbonylContact O-C 3.47Å; R467-F512 VanDerWaalsContact O-CA 3.29Å; R467-F512 WeakPolarHBondContact O-CA 3.41Å; R467-V513 HydrophobicContact CG-CG2 4.03Å; R467-V513 PolarHBondContact N-O 3.31Å; R467-V513 VanDerWaalsContact N-O 3.12Å; R467-V513 PolarHBondContact O-N 3.14Å; R467-E515 IonicContact CZ-OE2 2.9Å; R467-E515 IonicContact NE-OE2 3Å; R467-E515 PolarHBondContact NE-OE2 3.41Å; R467-E515 IonicContact NH2-OE2 2.78Å; R467-E515 PolarHBondContact NH2-OE2 3.43Å
468F95.4Very high91.2Very high66 Ų6657.7 Ų57.729%0.28931%0.305SS..EExtended strand (participates in β ladder)trans-60.6143167.9-72.6-72.9000110.7Q510 A511 F512 L581F468-Q510 HydrophobicContact CE1-CB 4.34Å; F468-Q510 HydrophobicContact CE1-CG 4.37Å; F468-A511 WeakPolarHBondContact CA-O 3.3Å; F468-F512 HydrophobicContact CD1-CD1 4.01Å; F468-F512 AromaticContact CD1-CE1 3.68Å; F468-F512 HydrophobicContact CD1-CE1 3.68Å; F468-F512 HydrophobicContact CD1-CZ 4.25Å; F468-F512 HydrophobicContact CE1-CD1 4.1Å; F468-F512 AromaticContact CE1-CE1 3.29Å; F468-F512 HydrophobicContact CE1-CE1 3.29Å; F468-F512 AromaticContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE2-CE1 4.49Å; F468-F512 HydrophobicContact CG-CE1 4.43Å; F468-F512 AromaticContact CZ-CE1 3.76Å; F468-F512 HydrophobicContact CZ-CE1 3.76Å; F468-F512 HydrophobicContact CZ-CZ 4.24Å; F468-L581 HydrophobicContact CE2-CB 4.33Å; F468-L581 HydrophobicContact CZ-CB 4.35Å; F468-L581 WeakPolarHBondContact CZ-O 3.48Å
469A95.6Very high91.2Very high6 Ų661.9 Ų61.95%0.0532%0.324CS..  trans-66.2152.1174.800000111L494 Y497 A511 V513A469-L494 HydrophobicContact CB-CD1 3.8Å; A469-Y497 HydrophobicContact CB-CD1 4.38Å; A469-Y497 HydrophobicContact CB-CE1 4.19Å; A469-Y497 WeakPolarHBondContact O-CE1 3.34Å; A469-A511 HydrophobicContact CB-CB 3.82Å; A469-A511 PolarHBondContact N-O 3.42Å; A469-V513 HydrophobicContact CB-CG1 3.91Å
470T94.1Very high91.2Very high59 Ų5963.3 Ų63.336%0.36233%0.331SS..  trans-131.1166.7175.370.20000109.7L472 D473T470-L472 PolarHBondContact O-N 2.8Å; T470-D473 WeakPolarHBondContact CA-OD2 3.5Å; T470-D473 PolarHBondContact N-OD2 2.8Å; T470-D473 WeakPolarHBondContact O-CB 3.08Å; T470-D473 PolarHBondContact O-N 3.17Å; T470-D473 VanDerWaalsContact O-N 3.09Å; T470-D473 PolarHBondContact OG1-OD2 3.36Å
471F91.4Very high91.2Very high156 Ų15662 Ų6268%0.68433%0.325SS*.G310 helixtrans-57.8-32.3178-177.1-97.5000113.1D473 T474F471-D473 PolarHBondContact O-N 2.96Å; F471-T474 PolarHBondContact O-N 3.28Å; F471-T474 PolarHBondContact O-OG1 2.9Å
472L93.5Very high91.1Very high148 Ų14861.7 Ų61.778%0.77533%0.328SS*.G310 helixtrans-68.3-20-179.7-61.8177.4000113.3T470 T474 P475T470-L472 PolarHBondContact O-N 2.8Å; L472-T474 VanDerWaalsContact C-N 3.32Å; L472-P475 WeakPolarHBondContact O-CD 3.15Å
473D94.6Very high91.1Very high11 Ų1162.3 Ų62.36%0.05934%0.342CS..G310 helixtrans-80.9-15-176.6-57-49.6000112.6R467 T470 F471 G476 V477 V513 I520R467-D473 IonicContact CZ-OD1 3.87Å; R467-D473 IonicContact CZ-OD2 2.73Å; R467-D473 IonicContact NH1-OD1 2.66Å; R467-D473 PolarHBondContact NH1-OD1 3.32Å; R467-D473 IonicContact NH1-OD2 3.46Å; R467-D473 PolarHBondContact NH1-OD2 3.01Å; R467-D473 IonicContact NH2-OD1 3.61Å; R467-D473 PolarHBondContact NH2-OD1 2.92Å; R467-D473 IonicContact NH2-OD2 2.78Å; T470-D473 WeakPolarHBondContact CA-OD2 3.5Å; T470-D473 PolarHBondContact N-OD2 2.8Å; T470-D473 WeakPolarHBondContact O-CB 3.08Å; T470-D473 PolarHBondContact O-N 3.17Å; T470-D473 VanDerWaalsContact O-N 3.09Å; T470-D473 PolarHBondContact OG1-OD2 3.36Å; F471-D473 PolarHBondContact O-N 2.96Å; D473-G476 PolarHBondContact O-N 2.65Å; D473-V477 WeakPolarHBondContact O-CG2 3.08Å; D473-V477 PolarHBondContact O-N 3.49Å; D473-V513 HydrophobicContact CB-CG1 4.2Å; D473-I520 HydrophobicContact CB-CD1 4.35Å; D473-I520 HydrophobicContact CB-CG1 4.35Å
474T94.1Very high90.9Very high43 Ų4360.6 Ų60.626%0.26433%0.326SS..Hα-helixtrans-51.4-47.8-174.1-47.40000113.5F471 L472 G476 V477 E478 L494F471-T474 PolarHBondContact O-N 3.28Å; F471-T474 PolarHBondContact O-OG1 2.9Å; L472-T474 VanDerWaalsContact C-N 3.32Å; T474-G476 VanDerWaalsContact C-N 3.34Å; T474-G476 PolarHBondContact O-N 3.06Å; T474-V477 PolarHBondContact O-N 3.11Å; T474-E478 WeakPolarHBondContact O-CB 3.44Å; T474-E478 PolarHBondContact O-N 3.17Å; T474-L494 HydrophobicContact CG2-CD2 4.5Å
475P94.4Very high89.8Confident87 Ų8767.9 Ų67.957%0.56536%0.362SS*.Hα-helixtrans-65.4-36.3178.7-19.733.9000113L472 E478 N479L472-P475 WeakPolarHBondContact O-CD 3.15Å; P475-E478 PolarHBondContact O-N 3.11Å; P475-N479 PolarHBondContact O-N 2.92Å; P475-N479 VanDerWaalsContact O-N 3.12Å
476G93.4Very high88.9Confident25 Ų2565 Ų6526%0.25835%0.35SS..Hα-helixtrans-66.6-40.717700000111.9D473 T474 L480D473-G476 PolarHBondContact O-N 2.65Å; T474-G476 VanDerWaalsContact C-N 3.34Å; T474-G476 PolarHBondContact O-N 3.06Å; G476-L480 PolarHBondContact O-N 2.82Å; G476-L480 VanDerWaalsContact O-N 3.13Å
477V92.5Very high88.3Confident0 Ų067 Ų670%036%0.361CS..Hα-helixtrans-65.2-45.1174.4175.20000111D473 T474 N479 L480 V481 L491 L494 V513 I520 I523D473-V477 WeakPolarHBondContact O-CG2 3.08Å; D473-V477 PolarHBondContact O-N 3.49Å; T474-V477 PolarHBondContact O-N 3.11Å; V477-N479 VanDerWaalsContact C-N 3.3Å; V477-N479 PolarHBondContact O-N 2.96Å; V477-L480 WeakPolarHBondContact O-CB 3.18Å; V477-L480 PolarHBondContact O-N 3.34Å; V477-L480 VanDerWaalsContact O-N 3.13Å; V477-V481 HydrophobicContact CG1-CG1 4.25Å; V477-V481 WeakPolarHBondContact O-CG2 3.32Å; V477-V481 PolarHBondContact O-N 2.68Å; V477-L491 HydrophobicContact CG1-CD2 4.04Å; V477-L494 HydrophobicContact CB-CD2 3.94Å; V477-L494 HydrophobicContact CG1-CD2 3.94Å; V477-L494 HydrophobicContact CG2-CD2 3.91Å; V477-V513 HydrophobicContact CG2-CG1 4.15Å; V477-I520 HydrophobicContact CG2-CG2 4.02Å; V477-I523 HydrophobicContact CB-CD1 4.35Å; V477-I523 HydrophobicContact CG1-CB 4.44Å; V477-I523 HydrophobicContact CG1-CD1 3.48Å; V477-I523 VanDerWaalsContact CG1-CD1 3.48Å; V477-I523 HydrophobicContact CG1-CG2 4.27Å; V477-I523 HydrophobicContact CG2-CB 4.49Å; V477-I523 HydrophobicContact CG2-CD1 3.88Å
478E93.4Very high87.9Confident113 Ų11370.9 Ų70.953%0.52838%0.379SS..Hα-helixtrans-56.6-44.4178.4-176.9173.3-165.600111.9T474 P475 V481 S482 L491T474-E478 WeakPolarHBondContact O-CB 3.44Å; T474-E478 PolarHBondContact O-N 3.17Å; P475-E478 PolarHBondContact O-N 3.11Å; E478-V481 PolarHBondContact O-N 3.06Å; E478-S482 WeakPolarHBondContact O-CB 3.36Å; E478-S482 PolarHBondContact O-N 3.08Å; E478-L491 HydrophobicContact CB-CD2 4.15Å; E478-L491 HydrophobicContact CG-CD1 4.24Å
479N91.2Very high87.4Confident113 Ų11368.9 Ų68.960%0.60437%0.373SS*.Hα-helixtrans-61.3-47.6174.9-169.56.8000111.6P475 V477 V481 S482P475-N479 PolarHBondContact O-N 2.92Å; P475-N479 VanDerWaalsContact O-N 3.12Å; V477-N479 VanDerWaalsContact C-N 3.3Å; V477-N479 PolarHBondContact O-N 2.96Å; N479-V481 PolarHBondContact O-N 3.29Å; N479-S482 PolarHBondContact O-N 3.12Å; N479-S482 PolarHBondContact O-OG 3.37Å
480L88.6Confident87.1Confident33 Ų3368.6 Ų68.617%0.17337%0.371CS..Hα-helixtrans-59.2-42.2179.7176.469.2000113.1G476 V477 I523 N564G476-L480 PolarHBondContact O-N 2.82Å; G476-L480 VanDerWaalsContact O-N 3.13Å; V477-L480 WeakPolarHBondContact O-CB 3.18Å; V477-L480 PolarHBondContact O-N 3.34Å; V477-L480 VanDerWaalsContact O-N 3.13Å; L480-I523 HydrophobicContact CD2-CG2 4.19Å; L480-N564 HydrophobicContact CD1-CB 4.07Å
481V87.6Confident87Confident1 Ų167.8 Ų67.81%0.00636%0.364CS..Hα-helixtrans-94.7-5-173.4-54.40000113.7V477 E478 N479 T483 L484 N487 I490 L491 I523 A562V477-V481 HydrophobicContact CG1-CG1 4.25Å; V477-V481 WeakPolarHBondContact O-CG2 3.32Å; V477-V481 PolarHBondContact O-N 2.68Å; E478-V481 PolarHBondContact O-N 3.06Å; N479-V481 PolarHBondContact O-N 3.29Å; V481-T483 PolarHBondContact O-N 3.4Å; V481-L484 HydrophobicContact CB-CD1 4.15Å; V481-L484 HydrophobicContact CG1-CD1 4.13Å; V481-L484 WeakPolarHBondContact O-CB 3.26Å; V481-L484 PolarHBondContact O-N 2.84Å; V481-N487 HydrophobicContact CB-CB 4.25Å; V481-N487 HydrophobicContact CG2-CB 3.93Å; V481-N487 WeakPolarHBondContact O-CB 3.47Å; V481-I490 HydrophobicContact CB-CD1 4.27Å; V481-I490 HydrophobicContact CG1-CD1 3.92Å; V481-I490 HydrophobicContact CG1-CG2 4.3Å; V481-L491 HydrophobicContact CG2-CD1 4.45Å; V481-L491 HydrophobicContact CG2-CD2 4.27Å; V481-L491 HydrophobicContact CG2-CG 4.19Å; V481-I523 HydrophobicContact CG1-CG2 4.12Å; V481-A562 HydrophobicContact CG1-CB 4.48Å
482S84.8Confident86.9Confident63 Ų6365.1 Ų65.144%0.44135%0.354SS..THydrogen-bonded Turntrans-47.8-40.6-172.857.80000114.2E478 N479 N487E478-S482 WeakPolarHBondContact O-CB 3.36Å; E478-S482 PolarHBondContact O-N 3.08Å; N479-S482 PolarHBondContact O-N 3.12Å; N479-S482 PolarHBondContact O-OG 3.37Å; S482-N487 PolarHBondContact O-ND2 2.95Å
483T76.7Confident86.8Confident127 Ų12758.1 Ų58.178%0.77932%0.317SS*.THydrogen-bonded Turntrans-89-6.9-178.759.50000114.6V481V481-T483 PolarHBondContact O-N 3.4Å
484L75.5Confident86.7Confident42 Ų4257.7 Ų57.722%0.2232%0.315CS..SBendtrans-82.7141.6-176-61.3-179.3000112.1V481 L486 N487 A562V481-L484 HydrophobicContact CB-CD1 4.15Å; V481-L484 HydrophobicContact CG1-CD1 4.13Å; V481-L484 WeakPolarHBondContact O-CB 3.26Å; V481-L484 PolarHBondContact O-N 2.84Å; L484-L486 PolarHBondContact O-N 3.31Å; L484-N487 WeakPolarHBondContact O-CB 3.33Å; L484-N487 PolarHBondContact O-N 3.23Å; L484-A562 HydrophobicContact CD1-CB 3.65Å
485M67.1Low86.7Confident167 Ų16758.7 Ų58.782%0.82332%0.319SS*.THydrogen-bonded Turntrans-59.8134.7163-66.1-68.7-178.700109.1
486L74Confident86.5Confident44 Ų4458.7 Ų58.723%0.2331%0.307CS..THydrogen-bonded Turntrans71.919.1-175-50.4167.1000115.8L484 K488 S489 I490 A605L484-L486 PolarHBondContact O-N 3.31Å; L486-K488 PolarHBondContact O-N 2.83Å; L486-K488 VanDerWaalsContact O-N 3.16Å; L486-S489 WeakPolarHBondContact O-CB 3.44Å; L486-S489 PolarHBondContact O-N 3.03Å; L486-I490 PolarHBondContact O-N 3.46Å; L486-A605 HydrophobicContact CD1-CB 3.82Å; L486-A605 HydrophobicContact CD2-CB 3.87Å
487N82.1Confident86.5Confident47 Ų4758 Ų5825%0.25130%0.297SS..Hα-helixtrans-47.5-42.9173.963.6-1.5000113.6V481 S482 L484 S489 I490 L491V481-N487 HydrophobicContact CB-CB 4.25Å; V481-N487 HydrophobicContact CG2-CB 3.93Å; V481-N487 WeakPolarHBondContact O-CB 3.47Å; S482-N487 PolarHBondContact O-ND2 2.95Å; L484-N487 WeakPolarHBondContact O-CB 3.33Å; L484-N487 PolarHBondContact O-N 3.23Å; N487-S489 PolarHBondContact O-N 3.1Å; N487-I490 PolarHBondContact O-N 3.36Å; N487-L491 WeakPolarHBondContact O-CG 3.42Å; N487-L491 PolarHBondContact O-N 3.12Å; N487-L491 VanDerWaalsContact O-N 3.12Å
488K85.4Confident86.5Confident138 Ų13860 Ų6060%0.631%0.308SS*.Hα-helixtrans-58.7-45176.7-66.8-176.3-178.6-178.30112.8L486 I490 L491 E492L486-K488 PolarHBondContact O-N 2.83Å; L486-K488 VanDerWaalsContact O-N 3.16Å; K488-I490 VanDerWaalsContact C-N 3.32Å; K488-I490 PolarHBondContact O-N 2.7Å; K488-L491 PolarHBondContact O-N 3.35Å; K488-E492 WeakPolarHBondContact O-CG 3.42Å; K488-E492 PolarHBondContact O-N 3.32Å
489S86.3Confident86.4Confident23 Ų2362.2 Ų62.216%0.16132%0.315CS..Hα-helixtrans-63-39.7179.6-175.40000111.8L486 N487 E492 D493 H560L486-S489 WeakPolarHBondContact O-CB 3.44Å; L486-S489 PolarHBondContact O-N 3.03Å; N487-S489 PolarHBondContact O-N 3.1Å; S489-E492 PolarHBondContact O-N 3.16Å; S489-D493 PolarHBondContact O-N 3.29Å; S489-H560 PolarHBondContact OG-CE1 2.92Å; S489-H560 PolarHBondContact OG-NE2 2.93Å
490I88.4Confident86.3Confident0 Ų059.9 Ų59.90%031%0.312CS..Hα-helixtrans-63.8-45.2178-58.4171.8000110.1V481 L486 N487 K488 D493 L494 I523 H560 S607V481-I490 HydrophobicContact CB-CD1 4.27Å; V481-I490 HydrophobicContact CG1-CD1 3.92Å; V481-I490 HydrophobicContact CG1-CG2 4.3Å; L486-I490 PolarHBondContact O-N 3.46Å; N487-I490 PolarHBondContact O-N 3.36Å; K488-I490 VanDerWaalsContact C-N 3.32Å; K488-I490 PolarHBondContact O-N 2.7Å; I490-D493 PolarHBondContact O-N 3.14Å; I490-L494 WeakPolarHBondContact O-CB 3.17Å; I490-L494 PolarHBondContact O-N 3.26Å; I490-I523 HydrophobicContact CG2-CD1 3.93Å; I490-I523 HydrophobicContact CG2-CG2 4.2Å; I490-H560 HydrophobicContact CG1-CB 4.2Å; I490-S607 VanDerWaalsContact CD1-OG 3.31Å; I490-S607 WeakPolarHBondContact CD1-OG 3.4Å; I490-S607 VanDerWaalsContact CG1-OG 3.29Å; I490-S607 WeakPolarHBondContact CG1-OG 3.28Å
491L91.1Very high86.4Confident43 Ų4366 Ų6623%0.22533%0.333CS..Hα-helixtrans-66.8-38.9179.9-66.8173.3000112.1V477 E478 V481 N487 K488 L494 D495V477-L491 HydrophobicContact CG1-CD2 4.04Å; E478-L491 HydrophobicContact CB-CD2 4.15Å; E478-L491 HydrophobicContact CG-CD1 4.24Å; V481-L491 HydrophobicContact CG2-CD1 4.45Å; V481-L491 HydrophobicContact CG2-CD2 4.27Å; V481-L491 HydrophobicContact CG2-CG 4.19Å; N487-L491 WeakPolarHBondContact O-CG 3.42Å; N487-L491 PolarHBondContact O-N 3.12Å; N487-L491 VanDerWaalsContact O-N 3.12Å; K488-L491 PolarHBondContact O-N 3.35Å; L491-L494 PolarHBondContact O-N 3.47Å; L491-D495 WeakPolarHBondContact O-CB 3.36Å; L491-D495 PolarHBondContact O-N 2.67Å
492E90.8Very high86.5Confident99 Ų9971.1 Ų71.146%0.46336%0.355SS..Hα-helixtrans-63.1-44.8174.5-75.1175.7-159.700112.3K488 S489 D495 R496K488-E492 WeakPolarHBondContact O-CG 3.42Å; K488-E492 PolarHBondContact O-N 3.32Å; S489-E492 PolarHBondContact O-N 3.16Å; E492-D495 PolarHBondContact O-N 3.31Å; E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 3.4Å; E492-R496 IonicContact OE2-NH2 2.69Å
493D91.1Very high86.6Confident2 Ų269 Ų691%0.01134%0.339CS..Hα-helixtrans-66.6-36.8177-88.42.8000111.9S489 I490 R496 Y497 L509 V525 R527 H559 H560S489-D493 PolarHBondContact O-N 3.29Å; I490-D493 PolarHBondContact O-N 3.14Å; D493-R496 PolarHBondContact O-N 2.71Å; D493-R496 IonicContact OD1-CZ 2.7Å; D493-R496 IonicContact OD1-NH1 3.15Å; D493-R496 PolarHBondContact OD1-NH1 2.8Å; D493-R496 IonicContact OD1-NH2 2.77Å; D493-Y497 PolarHBondContact O-N 3.1Å; D493-L509 WeakPolarHBondContact O-CD2 3.45Å; D493-V525 HydrophobicContact CB-CG1 4.34Å; D493-R527 IonicContact OD1-NH2 3.21Å; D493-R527 PolarHBondContact OD1-NH2 3.28Å; D493-R527 IonicContact OD2-CZ 2.92Å; D493-R527 VanDerWaalsContact OD2-CZ 3.3Å; D493-R527 IonicContact OD2-NH1 3.86Å; D493-R527 PolarHBondContact OD2-NH1 3.01Å; D493-R527 IonicContact OD2-NH2 2.71Å; D493-R527 PolarHBondContact OD2-NH2 3.37Å; D493-H559 IonicContact OD2-CE1 2.95Å; D493-H559 IonicContact OD2-CG 3.53Å; D493-H559 IonicContact OD2-ND1 3.89Å; D493-H559 PolarHBondContact OD2-ND1 2.82Å; D493-H559 VanDerWaalsContact OD2-ND1 3.13Å; D493-H560 IonicContact OD2-CD2 2.76Å; D493-H560 PolarHBondContact OD2-CD2 3.19Å; D493-H560 VanDerWaalsContact OD2-CD2 3.31Å; D493-H560 IonicContact OD2-NE2 3.51Å; D493-H560 PolarHBondContact OD2-NE2 3.36Å
494L92.8Very high86.9Confident1 Ų169 Ų691%0.00534%0.341CS..Hα-helixtrans-63.9-42.6173179.462.6000111.7A469 T474 V477 I490 L491 Y497 N498 A511 I523A469-L494 HydrophobicContact CB-CD1 3.8Å; T474-L494 HydrophobicContact CG2-CD2 4.5Å; V477-L494 HydrophobicContact CB-CD2 3.94Å; V477-L494 HydrophobicContact CG1-CD2 3.94Å; V477-L494 HydrophobicContact CG2-CD2 3.91Å; I490-L494 WeakPolarHBondContact O-CB 3.17Å; I490-L494 PolarHBondContact O-N 3.26Å; L491-L494 PolarHBondContact O-N 3.47Å; L494-Y497 WeakPolarHBondContact O-CB 3.47Å; L494-Y497 PolarHBondContact O-N 2.95Å; L494-N498 PolarHBondContact O-N 3.43Å; L494-N498 PolarHBondContact O-ND2 3.31Å; L494-A511 HydrophobicContact CD1-CB 4.18Å; L494-I523 HydrophobicContact CD1-CD1 4.34Å; L494-I523 HydrophobicContact CD2-CD1 4.16Å
495D92.7Very high87.4Confident65 Ų6572.8 Ų72.835%0.34836%0.361SS..Hα-helixtrans-62.8-42.8175.6176.666.7000111.7L491 E492 Y497 N498 K499L491-D495 WeakPolarHBondContact O-CB 3.36Å; L491-D495 PolarHBondContact O-N 2.67Å; E492-D495 PolarHBondContact O-N 3.31Å; D495-Y497 VanDerWaalsContact C-N 3.32Å; D495-Y497 PolarHBondContact O-N 3.21Å; D495-N498 PolarHBondContact O-N 3.05Å; D495-K499 VanDerWaalsContact CG-NZ 3.3Å; D495-K499 WeakPolarHBondContact O-CB 3.49Å; D495-K499 WeakPolarHBondContact O-CG 3.46Å; D495-K499 PolarHBondContact O-N 3Å; D495-K499 WeakPolarHBondContact OD1-CE 3.17Å; D495-K499 IonicContact OD1-NZ 2.7Å; D495-K499 PolarHBondContact OD1-NZ 3.5Å; D495-K499 VanDerWaalsContact OD1-NZ 3.15Å; D495-K499 VanDerWaalsContact OD2-CE 3.28Å; D495-K499 WeakPolarHBondContact OD2-CE 3.48Å; D495-K499 IonicContact OD2-NZ 2.72Å; D495-K499 PolarHBondContact OD2-NZ 2.94Å
496R91.6Very high88.3Confident86 Ų8666.9 Ų66.933%0.32534%0.344SS..Hα-helixtrans-59.9-42.4173-71-179.5-151.8144.114.5111.9E492 D493 K499 A500 R501 D503 L509E492-R496 WeakPolarHBondContact O-CG 3.4Å; E492-R496 PolarHBondContact O-N 3.4Å; E492-R496 IonicContact OE2-NH2 2.69Å; D493-R496 PolarHBondContact O-N 2.71Å; D493-R496 IonicContact OD1-CZ 2.7Å; D493-R496 IonicContact OD1-NH1 3.15Å; D493-R496 PolarHBondContact OD1-NH1 2.8Å; D493-R496 IonicContact OD1-NH2 2.77Å; R496-K499 PolarHBondContact O-N 3.07Å; R496-A500 PolarHBondContact O-N 3.46Å; R496-R501 PolarHBondContact O-N 3.5Å; R496-D503 IonicContact NH1-OD1 3.84Å; R496-L509 HydrophobicContact CB-CD2 4.13Å
497Y93.6Very high88.9Confident11 Ų1165.5 Ų65.54%0.04334%0.337CS..Hα-helixtrans-60.4-47.5175.3176.2-100.2000111.5A469 D493 L494 D495 K499 R501 L509 A511A469-Y497 HydrophobicContact CB-CD1 4.38Å; A469-Y497 HydrophobicContact CB-CE1 4.19Å; A469-Y497 WeakPolarHBondContact O-CE1 3.34Å; D493-Y497 PolarHBondContact O-N 3.1Å; L494-Y497 WeakPolarHBondContact O-CB 3.47Å; L494-Y497 PolarHBondContact O-N 2.95Å; D495-Y497 VanDerWaalsContact C-N 3.32Å; D495-Y497 PolarHBondContact O-N 3.21Å; Y497-K499 VanDerWaalsContact C-N 3.29Å; Y497-K499 PolarHBondContact O-N 2.76Å; Y497-R501 HydrophobicContact CD2-CB 4.36Å; Y497-R501 HydrophobicContact CD2-CG 4.15Å; Y497-R501 HydrophobicContact CE2-CB 4.38Å; Y497-R501 HydrophobicContact CE2-CG 4Å; Y497-R501 WeakPolarHBondContact O-CG 3.4Å; Y497-R501 PolarHBondContact O-N 3.02Å; Y497-R501 VanDerWaalsContact O-N 3.09Å; Y497-L509 HydrophobicContact CD2-CG 4.38Å; Y497-L509 VanDerWaalsContact CD2-O 3.28Å; Y497-L509 WeakPolarHBondContact CD2-O 3.32Å; Y497-L509 WeakPolarHBondContact CE2-O 3.42Å; Y497-A511 HydrophobicContact CD1-CB 3.62Å; Y497-A511 HydrophobicContact CD2-CB 4.11Å; Y497-A511 HydrophobicContact CE1-CB 4.02Å; Y497-A511 HydrophobicContact CE2-CB 4.49Å; Y497-A511 HydrophobicContact CG-CB 3.65Å
498N92.4Very high89.3Confident43 Ų4367 Ų6723%0.2335%0.345CS..Hα-helixtrans-63.6-33179.7-75.5-28.8000112.8L494 D495L494-N498 PolarHBondContact O-N 3.43Å; L494-N498 PolarHBondContact O-ND2 3.31Å; D495-N498 PolarHBondContact O-N 3.05Å
499K91.6Very high89.6Confident158 Ų15860.7 Ų60.769%0.68732%0.317SS*.Hα-helixtrans-82.4-48.9-179.9-73.4172.5177.4164.50114.2D495 R496 Y497D495-K499 VanDerWaalsContact CG-NZ 3.3Å; D495-K499 WeakPolarHBondContact O-CB 3.49Å; D495-K499 WeakPolarHBondContact O-CG 3.46Å; D495-K499 PolarHBondContact O-N 3Å; D495-K499 WeakPolarHBondContact OD1-CE 3.17Å; D495-K499 IonicContact OD1-NZ 2.7Å; D495-K499 PolarHBondContact OD1-NZ 3.5Å; D495-K499 VanDerWaalsContact OD1-NZ 3.15Å; D495-K499 VanDerWaalsContact OD2-CE 3.28Å; D495-K499 WeakPolarHBondContact OD2-CE 3.48Å; D495-K499 IonicContact OD2-NZ 2.72Å; D495-K499 PolarHBondContact OD2-NZ 2.94Å; R496-K499 PolarHBondContact O-N 3.07Å; Y497-K499 VanDerWaalsContact C-N 3.29Å; Y497-K499 PolarHBondContact O-N 2.76Å
500A88.1Confident90Very high65 Ų6561.4 Ų61.454%0.53732%0.318SS..Hα-helixtrans-131.4-17.1-165.600000114.9R496 K502R496-A500 PolarHBondContact O-N 3.46Å; A500-K502 PolarHBondContact O-N 3.43Å
501R90.9Very high90.4Very high162 Ų16261.4 Ų61.461%0.61132%0.318SS*.SBendtrans53.418.2-172.9-56.9-178178.4-174.4-1.4114.6R496 Y497 L509R496-R501 PolarHBondContact O-N 3.5Å; Y497-R501 HydrophobicContact CD2-CB 4.36Å; Y497-R501 HydrophobicContact CD2-CG 4.15Å; Y497-R501 HydrophobicContact CE2-CB 4.38Å; Y497-R501 HydrophobicContact CE2-CG 4Å; Y497-R501 WeakPolarHBondContact O-CG 3.4Å; Y497-R501 PolarHBondContact O-N 3.02Å; Y497-R501 VanDerWaalsContact O-N 3.09Å; R501-L509 PolarHBondContact O-N 2.79Å
502K90.4Very high90.6Very high108 Ų10859.3 Ų59.347%0.4731%0.307SS..BIsolated β-bridgetrans-147.7149.2179.7-58.1-168.4-173.9-172.10109.4A500 T507 L508A500-K502 PolarHBondContact O-N 3.43Å; K502-T507 CarbonylContact C-O 3.06Å; K502-T507 WeakPolarHBondContact CA-O 3.31Å; K502-L508 HydrophobicContact CD-CD2 4.03Å; K502-L508 HydrophobicContact CG-CD2 3.94Å
503D86.6Confident90.9Very high17 Ų1754.6 Ų54.69%0.09129%0.285CS..  trans-75165.7168-76.4-53.4000111.3R496 D505 G506 T507 R527R496-D503 IonicContact NH1-OD1 3.84Å; D503-D505 WeakPolarHBondContact CB-OD1 3.46Å; D503-D505 PolarHBondContact O-N 3.39Å; D503-D505 VanDerWaalsContact O-N 3.16Å; D503-G506 PolarHBondContact O-N 3.44Å; D503-T507 PolarHBondContact N-O 3.48Å; D503-R527 IonicContact OD1-CZ 3.82Å; D503-R527 IonicContact OD1-NE 2.65Å; D503-R527 IonicContact OD1-NH2 3.47Å; D503-R527 PolarHBondContact OD1-NH2 3Å; D503-R527 VanDerWaalsContact OD1-NH2 3.07Å; D503-R527 WeakPolarHBondContact OD2-CD 3.48Å; D503-R527 IonicContact OD2-CZ 2.71Å; D503-R527 IonicContact OD2-NE 2.65Å; D503-R527 PolarHBondContact OD2-NE 3.05Å; D503-R527 IonicContact OD2-NH2 3.66Å; D503-R527 PolarHBondContact OD2-NH2 2.98Å
504P83.1Confident91.2Very high129 Ų12954.5 Ų54.584%0.83829%0.285SS*.THydrogen-bonded Turntrans-58.9-24.5179-25.435.5000114.6G506P504-G506 VanDerWaalsContact C-N 3.27Å
505D84.6Confident91.3Very high120 Ų12056.7 Ų56.764%0.64230%0.295SS*.THydrogen-bonded Turntrans-80.7-4.7175.667.8-13.3000113.3D503 T507D503-D505 WeakPolarHBondContact CB-OD1 3.46Å; D503-D505 PolarHBondContact O-N 3.39Å; D503-D505 VanDerWaalsContact O-N 3.16Å; D505-T507 VanDerWaalsContact OD1-CB 3.29Å; D505-T507 WeakPolarHBondContact OD1-CB 3.44Å; D505-T507 PolarHBondContact OD1-N 2.93Å; D505-T507 PolarHBondContact OD1-OG1 3.35Å; D505-T507 VanDerWaalsContact OD1-OG1 3.13Å; D505-T507 PolarHBondContact OD2-OG1 3.36Å
506G85.7Confident91.3Very high44 Ų4453.8 Ų53.845%0.45428%0.28SS..  trans90.7-0.4-178.100000114.8D503 P504 L508D503-G506 PolarHBondContact O-N 3.44Å; P504-G506 VanDerWaalsContact C-N 3.27Å; G506-L508 PolarHBondContact O-N 3.5Å
507T87.9Confident91.1Very high15 Ų1553.5 Ų53.59%0.09230%0.295CS..  trans-63.9131.7178.3-60.90000110.3K502 D503 D505 L509 R527 N528 M530K502-T507 CarbonylContact C-O 3.06Å; K502-T507 WeakPolarHBondContact CA-O 3.31Å; D503-T507 PolarHBondContact N-O 3.48Å; D505-T507 VanDerWaalsContact OD1-CB 3.29Å; D505-T507 WeakPolarHBondContact OD1-CB 3.44Å; D505-T507 PolarHBondContact OD1-N 2.93Å; D505-T507 PolarHBondContact OD1-OG1 3.35Å; D505-T507 VanDerWaalsContact OD1-OG1 3.13Å; D505-T507 PolarHBondContact OD2-OG1 3.36Å; T507-L509 PolarHBondContact O-N 2.95Å; T507-R527 HydrophobicContact CG2-CB 4.05Å; T507-N528 HydrophobicContact CG2-CB 4.43Å; T507-M530 HydrophobicContact CG2-CG 4.45Å
508L89.3Confident90.9Very high79 Ų7961.6 Ų61.641%0.41433%0.334SS..BIsolated β-bridgetrans-68131.9179.2-68.5179.8000110.6K502 G506 R527 N528K502-L508 HydrophobicContact CD-CD2 4.03Å; K502-L508 HydrophobicContact CG-CD2 3.94Å; G506-L508 PolarHBondContact O-N 3.5Å; L508-R527 WeakPolarHBondContact O-CA 3.43Å; L508-N528 PolarHBondContact O-N 3.22Å
509L92.4Very high90.9Very high4 Ų464.9 Ų64.92%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-114.8134.7-179.3-172.869000109.6D493 R496 Y497 R501 T507 V525 R527D493-L509 WeakPolarHBondContact O-CD2 3.45Å; R496-L509 HydrophobicContact CB-CD2 4.13Å; Y497-L509 HydrophobicContact CD2-CG 4.38Å; Y497-L509 VanDerWaalsContact CD2-O 3.28Å; Y497-L509 WeakPolarHBondContact CD2-O 3.32Å; Y497-L509 WeakPolarHBondContact CE2-O 3.42Å; R501-L509 PolarHBondContact O-N 2.79Å; T507-L509 PolarHBondContact O-N 2.95Å; L509-V525 HydrophobicContact CD1-CG1 3.48Å; L509-V525 VanDerWaalsContact CD1-CG1 3.48Å; L509-V525 HydrophobicContact CG-CG1 4.23Å; L509-R527 HydrophobicContact CD1-CG 3.62Å
510Q95.1Very high91.1Very high38 Ų3858.1 Ų58.118%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-129.8129.1176.3-67.1176.1-52.700109.7F468 F512 V525 I526F468-Q510 HydrophobicContact CE1-CB 4.34Å; F468-Q510 HydrophobicContact CE1-CG 4.37Å; Q510-F512 HydrophobicContact CB-CE2 3.92Å; Q510-F512 HydrophobicContact CB-CZ 4.06Å; Q510-V525 WeakPolarHBondContact O-CA 3.13Å; Q510-I526 HydrophobicContact CB-CD1 4.37Å; Q510-I526 HydrophobicContact CB-CG1 3.79Å; Q510-I526 PolarHBondContact N-O 2.81Å; Q510-I526 PolarHBondContact O-N 2.94Å
511A96.3Very high91.3Very high0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-118.2138.5175.100000110.8F468 A469 L494 Y497 A524 V525F468-A511 WeakPolarHBondContact CA-O 3.3Å; A469-A511 HydrophobicContact CB-CB 3.82Å; A469-A511 PolarHBondContact N-O 3.42Å; L494-A511 HydrophobicContact CD1-CB 4.18Å; Y497-A511 HydrophobicContact CD1-CB 3.62Å; Y497-A511 HydrophobicContact CD2-CB 4.11Å; Y497-A511 HydrophobicContact CE1-CB 4.02Å; Y497-A511 HydrophobicContact CE2-CB 4.49Å; Y497-A511 HydrophobicContact CG-CB 3.65Å; A511-A524 CarbonylContact C-O 3.3Å; A511-A524 WeakPolarHBondContact CA-O 3.16Å; A511-V525 HydrophobicContact CB-CG2 4.23Å
512F96.6Very high91.4Very high0 Ų047.4 Ų47.40%027%0.265CS..EExtended strand (participates in β ladder)trans-125.9144.7-178.9-54.1-89.3000110R467 F468 Q510 I523 A524 I526 F574 I578 L581R467-F512 CarbonylContact O-C 3.47Å; R467-F512 VanDerWaalsContact O-CA 3.29Å; R467-F512 WeakPolarHBondContact O-CA 3.41Å; F468-F512 HydrophobicContact CD1-CD1 4.01Å; F468-F512 AromaticContact CD1-CE1 3.68Å; F468-F512 HydrophobicContact CD1-CE1 3.68Å; F468-F512 HydrophobicContact CD1-CZ 4.25Å; F468-F512 HydrophobicContact CE1-CD1 4.1Å; F468-F512 AromaticContact CE1-CE1 3.29Å; F468-F512 HydrophobicContact CE1-CE1 3.29Å; F468-F512 AromaticContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE1-CZ 3.62Å; F468-F512 HydrophobicContact CE2-CE1 4.49Å; F468-F512 HydrophobicContact CG-CE1 4.43Å; F468-F512 AromaticContact CZ-CE1 3.76Å; F468-F512 HydrophobicContact CZ-CE1 3.76Å; F468-F512 HydrophobicContact CZ-CZ 4.24Å; Q510-F512 HydrophobicContact CB-CE2 3.92Å; Q510-F512 HydrophobicContact CB-CZ 4.06Å; F512-I523 CarbonylContact O-C 3.55Å; F512-I523 WeakPolarHBondContact O-CA 3.36Å; F512-A524 PolarHBondContact N-O 3.3Å; F512-A524 PolarHBondContact O-N 3.4Å; F512-I526 HydrophobicContact CE2-CD1 3.71Å; F512-I526 HydrophobicContact CE2-CG1 3.88Å; F512-I526 HydrophobicContact CZ-CD1 4.19Å; F512-F574 HydrophobicContact CB-CE2 4.01Å; F512-F574 HydrophobicContact CB-CZ 4.43Å; F512-I578 HydrophobicContact CD2-CG1 4.04Å; F512-I578 HydrophobicContact CD2-CG2 4.25Å; F512-I578 HydrophobicContact CE2-CG1 4.48Å; F512-I578 HydrophobicContact CE2-CG2 3.93Å; F512-I578 HydrophobicContact CG-CG1 4.21Å; F512-I578 HydrophobicContact CZ-CG2 4.45Å; F512-L581 HydrophobicContact CD1-CB 4.36Å; F512-L581 HydrophobicContact CD1-CD1 4.28Å; F512-L581 HydrophobicContact CE1-CB 3.69Å; F512-L581 HydrophobicContact CE1-CD1 4.43Å
513V96.9Very high91.6Very high0 Ų042.2 Ų42.20%024%0.242CC..EExtended strand (participates in β ladder)trans-122.6145.3172.6-66.50000110.1I466 R467 A469 D473 V477 I520 G522I466-V513 WeakPolarHBondContact CA-O 3.11Å; R467-V513 HydrophobicContact CG-CG2 4.03Å; R467-V513 PolarHBondContact N-O 3.31Å; R467-V513 VanDerWaalsContact N-O 3.12Å; R467-V513 PolarHBondContact O-N 3.14Å; A469-V513 HydrophobicContact CB-CG1 3.91Å; D473-V513 HydrophobicContact CB-CG1 4.2Å; V477-V513 HydrophobicContact CG2-CG1 4.15Å; V513-I520 HydrophobicContact CB-CD1 4.19Å; V513-I520 HydrophobicContact CB-CG2 4.26Å; V513-I520 HydrophobicContact CG1-CG2 4.29Å; V513-I520 HydrophobicContact CG2-CD1 4.16Å; V513-G522 VanDerWaalsContact CA-O 3.31Å; V513-G522 WeakPolarHBondContact CA-O 3.33Å
514A95.6Very high92Very high0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-102.9126.3168.400000108.7I464 H465 I466 V521 G522 L563 F574I464-A514 HydrophobicContact CD1-CB 4.27Å; I464-A514 HydrophobicContact CG1-CB 4.49Å; H465-A514 WeakPolarHBondContact O-CA 3.45Å; I466-A514 HydrophobicContact CG1-CB 4.09Å; A514-V521 HydrophobicContact CB-CG2 4.15Å; A514-V521 WeakPolarHBondContact O-CG2 3.18Å; A514-V521 PolarHBondContact O-N 2.87Å; A514-G522 PolarHBondContact N-O 2.94Å; A514-G522 PolarHBondContact O-N 3.2Å; A514-L563 HydrophobicContact CB-CD1 4.5Å; A514-F574 HydrophobicContact CB-CD1 4.3Å; A514-F574 HydrophobicContact CB-CE1 3.99Å; A514-F574 HydrophobicContact CB-CZ 4.15Å
515E94.9Very high92.5Very high46 Ų4635.3 Ų35.322%0.21520%0.198CC..EExtended strand (participates in β ladder)trans-119.1131-175.7-171.7-175148.100109.9H465 R467 Q519 I520H465-E515 PolarHBondContact N-O 2.89Å; H465-E515 PolarHBondContact O-N 3.35Å; R467-E515 IonicContact CZ-OE2 2.9Å; R467-E515 IonicContact NE-OE2 3Å; R467-E515 PolarHBondContact NE-OE2 3.41Å; R467-E515 IonicContact NH2-OE2 2.78Å; R467-E515 PolarHBondContact NH2-OE2 3.43Å; E515-Q519 WeakPolarHBondContact CA-O 3.38Å; E515-I520 HydrophobicContact CB-CD1 4.27Å; E515-I520 HydrophobicContact CG-CD1 4.31Å
516V92.8Very high93Very high5 Ų529.6 Ų29.63%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-135.1125.7174.4177.80000107.8L461 I464 E518 Q519 V521 F567L461-V516 HydrophobicContact CB-CG1 4.07Å; L461-V516 HydrophobicContact CD1-CG1 3.61Å; I464-V516 HydrophobicContact CB-CG2 3.8Å; I464-V516 HydrophobicContact CD1-CG2 4.19Å; I464-V516 HydrophobicContact CG1-CG2 3.8Å; V516-E518 VanDerWaalsContact C-N 3.27Å; V516-E518 PolarHBondContact O-N 3.23Å; V516-Q519 PolarHBondContact N-O 3.26Å; V516-Q519 WeakPolarHBondContact O-CB 3.42Å; V516-Q519 PolarHBondContact O-N 3.35Å; V516-V521 HydrophobicContact CB-CG1 4.24Å; V516-V521 HydrophobicContact CB-CG2 4.23Å; V516-V521 HydrophobicContact CG2-CG2 3.71Å; V516-F567 HydrophobicContact CB-CE1 4.31Å; V516-F567 HydrophobicContact CB-CZ 4.08Å; V516-F567 HydrophobicContact CG1-CE1 3.89Å; V516-F567 HydrophobicContact CG1-CZ 3.82Å; V516-F567 HydrophobicContact CG2-CD1 4.29Å; V516-F567 HydrophobicContact CG2-CE1 4Å; V516-F567 HydrophobicContact CG2-CZ 4.16Å
517A88.6Confident93.3Very high79 Ų7928.7 Ų28.765%0.65315%0.15SC*.THydrogen-bonded Turntrans48.548-179.300000112.9Q519A517-Q519 PolarHBondContact O-N 3.43Å; A517-Q519 VanDerWaalsContact O-N 3.1Å
518E88.6Confident93.6Very high181 Ų18129.3 Ų29.385%0.84615%0.153SC*.THydrogen-bonded Turntrans64.17.3-178.8-54.2179.9179.500115.3V516V516-E518 VanDerWaalsContact C-N 3.27Å; V516-E518 PolarHBondContact O-N 3.23Å
519Q92.5Very high93.8Very high113 Ų11326.3 Ų26.353%0.52814%0.137SC..EExtended strand (participates in β ladder)trans-104.2135.2175.2-173176.9-7.100111.1E515 V516 A517 V521E515-Q519 WeakPolarHBondContact CA-O 3.38Å; V516-Q519 PolarHBondContact N-O 3.26Å; V516-Q519 WeakPolarHBondContact O-CB 3.42Å; V516-Q519 PolarHBondContact O-N 3.35Å; A517-Q519 PolarHBondContact O-N 3.43Å; A517-Q519 VanDerWaalsContact O-N 3.1Å; Q519-V521 HydrophobicContact CG-CG1 4.4Å; Q519-V521 PolarHBondContact O-N 3.03Å
520I95.1Very high93.6Very high15 Ų1532.1 Ų32.18%0.07717%0.166CC..EExtended strand (participates in β ladder)trans-74.6118.1170.7-54.8-55.4000109.2D473 V477 V513 E515D473-I520 HydrophobicContact CB-CD1 4.35Å; D473-I520 HydrophobicContact CB-CG1 4.35Å; V477-I520 HydrophobicContact CG2-CG2 4.02Å; V513-I520 HydrophobicContact CB-CD1 4.19Å; V513-I520 HydrophobicContact CB-CG2 4.26Å; V513-I520 HydrophobicContact CG1-CG2 4.29Å; V513-I520 HydrophobicContact CG2-CD1 4.16Å; E515-I520 HydrophobicContact CB-CD1 4.27Å; E515-I520 HydrophobicContact CG-CD1 4.31Å
521V93.6Very high93.3Very high2 Ų233.4 Ų33.41%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-115.8-8.7-177-60.80000112.8A514 V516 Q519 N564 F567A514-V521 HydrophobicContact CB-CG2 4.15Å; A514-V521 WeakPolarHBondContact O-CG2 3.18Å; A514-V521 PolarHBondContact O-N 2.87Å; V516-V521 HydrophobicContact CB-CG1 4.24Å; V516-V521 HydrophobicContact CB-CG2 4.23Å; V516-V521 HydrophobicContact CG2-CG2 3.71Å; Q519-V521 HydrophobicContact CG-CG1 4.4Å; Q519-V521 PolarHBondContact O-N 3.03Å; V521-N564 HydrophobicContact CB-CB 4.27Å; V521-N564 WeakPolarHBondContact O-CB 3.49Å; V521-N564 PolarHBondContact O-N 3.27Å; V521-F567 HydrophobicContact CB-CD2 3.78Å; V521-F567 HydrophobicContact CB-CE2 3.94Å; V521-F567 HydrophobicContact CG1-CD2 3.96Å; V521-F567 HydrophobicContact CG1-CE2 3.55Å; V521-F567 HydrophobicContact CG1-CZ 4.38Å; V521-F567 HydrophobicContact CG2-CD2 3.96Å; V521-F567 HydrophobicContact CG2-CE2 4.27Å; V521-F567 HydrophobicContact CG2-CG 4.45Å
522G93.4Very high93Very high0 Ų034 Ų340%018%0.177CC..EExtended strand (participates in β ladder)trans-154.4154.3177.700000113.3V513 A514 A562V513-G522 VanDerWaalsContact CA-O 3.31Å; V513-G522 WeakPolarHBondContact CA-O 3.33Å; A514-G522 PolarHBondContact N-O 2.94Å; A514-G522 PolarHBondContact O-N 3.2Å; G522-A562 CarbonylContact C-O 3.49Å; G522-A562 WeakPolarHBondContact CA-O 2.93Å
523I94.3Very high92.5Very high0 Ų037.5 Ų37.50%019%0.193CC..EExtended strand (participates in β ladder)trans-140.2140.7173-178.7164.5000110.7V477 L480 V481 I490 L494 F512 V525 F561 A562V477-I523 HydrophobicContact CB-CD1 4.35Å; V477-I523 HydrophobicContact CG1-CB 4.44Å; V477-I523 HydrophobicContact CG1-CD1 3.48Å; V477-I523 VanDerWaalsContact CG1-CD1 3.48Å; V477-I523 HydrophobicContact CG1-CG2 4.27Å; V477-I523 HydrophobicContact CG2-CB 4.49Å; V477-I523 HydrophobicContact CG2-CD1 3.88Å; L480-I523 HydrophobicContact CD2-CG2 4.19Å; V481-I523 HydrophobicContact CG1-CG2 4.12Å; I490-I523 HydrophobicContact CG2-CD1 3.93Å; I490-I523 HydrophobicContact CG2-CG2 4.2Å; L494-I523 HydrophobicContact CD1-CD1 4.34Å; L494-I523 HydrophobicContact CD2-CD1 4.16Å; F512-I523 CarbonylContact O-C 3.55Å; F512-I523 WeakPolarHBondContact O-CA 3.36Å; I523-V525 HydrophobicContact CD1-CG2 4.49Å; I523-V525 HydrophobicContact CG1-CG2 4.46Å; I523-F561 WeakPolarHBondContact O-CA 3.44Å; I523-A562 HydrophobicContact CG2-CB 4.01Å; I523-A562 PolarHBondContact N-O 2.97Å; I523-A562 PolarHBondContact O-N 3.1Å
524A94.6Very high92.2Very high0 Ų037.9 Ų37.90%020%0.195CC..EExtended strand (participates in β ladder)trans-136140.6168.800000111A511 F512 H560 F561 F574 I578A511-A524 CarbonylContact C-O 3.3Å; A511-A524 WeakPolarHBondContact CA-O 3.16Å; F512-A524 PolarHBondContact N-O 3.3Å; F512-A524 PolarHBondContact O-N 3.4Å; A524-H560 CarbonylContact C-O 3.51Å; A524-H560 VanDerWaalsContact CA-O 3.27Å; A524-H560 WeakPolarHBondContact CA-O 3.37Å; A524-F561 HydrophobicContact CB-CD2 3.86Å; A524-F561 HydrophobicContact CB-CE2 4.43Å; A524-F574 HydrophobicContact CB-CE1 4.49Å; A524-F574 HydrophobicContact CB-CE2 4.3Å; A524-F574 HydrophobicContact CB-CZ 3.94Å; A524-I578 HydrophobicContact CB-CD1 3.47Å; A524-I578 VanDerWaalsContact CB-CD1 3.47Å; A524-I578 HydrophobicContact CB-CG1 4.28Å
525V93.8Very high92.1Very high0 Ų038 Ų380%020%0.195CC..EExtended strand (participates in β ladder)trans-126.1125.5175.5-176.20000109D493 L509 Q510 A511 I523 H559 H560D493-V525 HydrophobicContact CB-CG1 4.34Å; L509-V525 HydrophobicContact CD1-CG1 3.48Å; L509-V525 VanDerWaalsContact CD1-CG1 3.48Å; L509-V525 HydrophobicContact CG-CG1 4.23Å; Q510-V525 WeakPolarHBondContact O-CA 3.13Å; A511-V525 HydrophobicContact CB-CG2 4.23Å; I523-V525 HydrophobicContact CD1-CG2 4.49Å; I523-V525 HydrophobicContact CG1-CG2 4.46Å; V525-H559 PolarHBondContact O-N 2.8Å; V525-H560 HydrophobicContact CB-CB 4.06Å; V525-H560 HydrophobicContact CG2-CB 4.21Å; V525-H560 PolarHBondContact N-O 3.05Å; V525-H560 PolarHBondContact O-N 3.08Å
526I94.5Very high91.8Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-126.5153178.975.9177.2000111.5Q510 F512 H557 M558 I578 K584 L587Q510-I526 HydrophobicContact CB-CD1 4.37Å; Q510-I526 HydrophobicContact CB-CG1 3.79Å; Q510-I526 PolarHBondContact N-O 2.81Å; Q510-I526 PolarHBondContact O-N 2.94Å; F512-I526 HydrophobicContact CE2-CD1 3.71Å; F512-I526 HydrophobicContact CE2-CG1 3.88Å; F512-I526 HydrophobicContact CZ-CD1 4.19Å; I526-H557 CarbonylContact C-O 3.59Å; I526-H557 WeakPolarHBondContact CA-O 3.17Å; I526-H557 WeakPolarHBondContact CB-O 3.4Å; I526-M558 HydrophobicContact CG2-CB 4.43Å; I526-M558 HydrophobicContact CG2-CG 4.48Å; I526-I578 HydrophobicContact CD1-CG2 3.9Å; I526-I578 HydrophobicContact CG2-CG2 3.96Å; I526-K584 HydrophobicContact CD1-CG 3.94Å; I526-L587 HydrophobicContact CD1-CD2 4.37Å; I526-L587 HydrophobicContact CG2-CD2 4.28Å
527R93.3Very high91.7Very high25 Ų2539 Ų399%0.09420%0.197CC..EExtended strand (participates in β ladder)trans-121164.5174.9-69.1166.3168.786.37.2110.1D493 D503 T507 L508 L509 G556 H557 H559D493-R527 IonicContact OD1-NH2 3.21Å; D493-R527 PolarHBondContact OD1-NH2 3.28Å; D493-R527 IonicContact OD2-CZ 2.92Å; D493-R527 VanDerWaalsContact OD2-CZ 3.3Å; D493-R527 IonicContact OD2-NH1 3.86Å; D493-R527 PolarHBondContact OD2-NH1 3.01Å; D493-R527 IonicContact OD2-NH2 2.71Å; D493-R527 PolarHBondContact OD2-NH2 3.37Å; D503-R527 IonicContact OD1-CZ 3.82Å; D503-R527 IonicContact OD1-NE 2.65Å; D503-R527 IonicContact OD1-NH2 3.47Å; D503-R527 PolarHBondContact OD1-NH2 3Å; D503-R527 VanDerWaalsContact OD1-NH2 3.07Å; D503-R527 WeakPolarHBondContact OD2-CD 3.48Å; D503-R527 IonicContact OD2-CZ 2.71Å; D503-R527 IonicContact OD2-NE 2.65Å; D503-R527 PolarHBondContact OD2-NE 3.05Å; D503-R527 IonicContact OD2-NH2 3.66Å; D503-R527 PolarHBondContact OD2-NH2 2.98Å; T507-R527 HydrophobicContact CG2-CB 4.05Å; L508-R527 WeakPolarHBondContact O-CA 3.43Å; L509-R527 HydrophobicContact CD1-CG 3.62Å; R527-G556 CarbonylContact O-C 3.57Å; R527-G556 WeakPolarHBondContact O-CA 3.28Å; R527-H557 HydrophobicContact CB-CB 4.29Å; R527-H557 PolarHBondContact N-O 2.93Å; R527-H557 PolarHBondContact O-N 2.92Å; R527-H559 PolarHBondContact NH1-CD2 2.8Å; R527-H559 VanDerWaalsContact NH1-CD2 3.33Å; R527-H559 PolarHBondContact NH1-ND1 2.97Å; R527-H559 VanDerWaalsContact NH1-ND1 3.13Å
528N93.3Very high91.8Very high28 Ų2836.1 Ų36.115%0.1517%0.17CC..EExtended strand (participates in β ladder)trans-68.8135164.3-762.4000109.7T507 L508 M530 K584T507-N528 HydrophobicContact CG2-CB 4.43Å; L508-N528 PolarHBondContact O-N 3.22Å; N528-M530 HydrophobicContact CB-SD 4.49Å; N528-M530 PolarHBondContact O-N 2.95Å; N528-K584 PolarHBondContact OD1-NZ 3.35Å
529E92.8Very high92.1Very high16 Ų1627.5 Ų27.58%0.07513%0.129CC..  trans-76.5122.9174.8-176.350.1-9900109.9D531 I532 I535 H555 H557 Y588E529-D531 PolarHBondContact OE1-N 2.86Å; E529-I532 HydrophobicContact CB-CG1 4.25Å; E529-I532 HydrophobicContact CG-CG1 3.97Å; E529-I532 WeakPolarHBondContact O-CD1 3.36Å; E529-I532 WeakPolarHBondContact O-CG1 3.21Å; E529-I535 HydrophobicContact CG-CD1 3.68Å; E529-H555 HydrophobicContact CB-CB 3.97Å; E529-H555 PolarHBondContact N-O 3.48Å; E529-H557 HydrophobicContact CB-CB 4.4Å; E529-H557 WeakPolarHBondContact OE2-CB 3.37Å; E529-H557 IonicContact OE2-CG 2.91Å; E529-H557 IonicContact OE2-ND1 3.42Å; E529-H557 PolarHBondContact OE2-ND1 2.85Å; E529-Y588 HydrophobicContact CB-CD2 4.24Å; E529-Y588 HydrophobicContact CG-CD2 4.06Å
530M89Confident92.1Very high126 Ų12623.7 Ų23.762%0.62111%0.112SC*.SBendtrans-102.2-22.8-174.6-62.2-57.7-66.500112.3T507 N528 I532T507-M530 HydrophobicContact CG2-CG 4.45Å; N528-M530 HydrophobicContact CB-SD 4.49Å; N528-M530 PolarHBondContact O-N 2.95Å; M530-I532 PolarHBondContact O-N 3.2Å
531D88.3Confident91.9Very high65 Ų6523 Ų2335%0.34811%0.109SC..  trans-99.537.5-176.8-87.6-22.3000111.6E529 E533 Y534 I535 K642E529-D531 PolarHBondContact OE1-N 2.86Å; D531-E533 PolarHBondContact O-N 3.32Å; D531-Y534 WeakPolarHBondContact O-CB 3.35Å; D531-Y534 PolarHBondContact O-N 2.9Å; D531-Y534 VanDerWaalsContact O-N 3.09Å; D531-I535 PolarHBondContact O-N 3.21Å; D531-K642 IonicContact OD1-NZ 3.02Å; D531-K642 PolarHBondContact OD1-NZ 2.98Å; D531-K642 IonicContact OD2-NZ 2.79Å; D531-K642 PolarHBondContact OD2-NZ 3.26Å; D531-K642 VanDerWaalsContact OD2-NZ 3.1Å
532I89.6Confident91.7Very high14 Ų1424.5 Ų24.57%0.07212%0.116CC..Hα-helixtrans-59.9-43.7-175.4-57.3167.4000111.8E529 M530 Y534 I535 R536 F547 R552 H555E529-I532 HydrophobicContact CB-CG1 4.25Å; E529-I532 HydrophobicContact CG-CG1 3.97Å; E529-I532 WeakPolarHBondContact O-CD1 3.36Å; E529-I532 WeakPolarHBondContact O-CG1 3.21Å; M530-I532 PolarHBondContact O-N 3.2Å; I532-Y534 VanDerWaalsContact C-N 3.27Å; I532-Y534 PolarHBondContact O-N 3.37Å; I532-I535 PolarHBondContact O-N 3.22Å; I532-R536 WeakPolarHBondContact O-CB 3.02Å; I532-R536 PolarHBondContact O-N 2.77Å; I532-F547 HydrophobicContact CG2-CE1 3.88Å; I532-R552 HydrophobicContact CD1-CB 3.98Å; I532-R552 HydrophobicContact CD1-CG 3.97Å; I532-H555 HydrophobicContact CD1-CB 3.89Å; I532-H555 HydrophobicContact CG1-CB 4.16Å
533E88.2Confident91.5Very high72 Ų7229.8 Ų29.834%0.33614%0.144SC..Hα-helixtrans-63.2-34.8177.4-7375-166.900112.2D531 S537 R552 A639D531-E533 PolarHBondContact O-N 3.32Å; E533-S537 WeakPolarHBondContact O-CB 3.45Å; E533-S537 PolarHBondContact O-N 2.83Å; E533-S537 VanDerWaalsContact O-N 3.08Å; E533-S537 PolarHBondContact O-OG 3.26Å; E533-R552 IonicContact OE1-CZ 3.52Å; E533-R552 IonicContact OE1-NE 3.86Å; E533-R552 IonicContact OE1-NH2 3.52Å; E533-R552 PolarHBondContact OE1-NH2 2.99Å; E533-A639 HydrophobicContact CB-CB 3.97Å
534Y90.3Very high91.4Very high9 Ų930.8 Ų30.84%0.03515%0.148CC..Hα-helixtrans-66.4-49.9174.2176.8-92.6000110.1D531 I532 R536 S537 H538 Y539 K642 P644 Y647D531-Y534 WeakPolarHBondContact O-CB 3.35Å; D531-Y534 PolarHBondContact O-N 2.9Å; D531-Y534 VanDerWaalsContact O-N 3.09Å; I532-Y534 VanDerWaalsContact C-N 3.27Å; I532-Y534 PolarHBondContact O-N 3.37Å; Y534-R536 VanDerWaalsContact C-N 3.31Å; Y534-R536 PolarHBondContact O-N 3.21Å; Y534-S537 WeakPolarHBondContact CA-OG 3.44Å; Y534-S537 PolarHBondContact O-N 3.47Å; Y534-S537 VanDerWaalsContact O-N 3.14Å; Y534-S537 PolarHBondContact O-OG 2.66Å; Y534-H538 AromaticContact CD2-CE1 3.41Å; Y534-H538 VanDerWaalsContact CD2-CE1 3.41Å; Y534-H538 WeakPolarHBondContact CD2-CE1 3.07Å; Y534-H538 AromaticContact CD2-CG 3.86Å; Y534-H538 AromaticContact CD2-ND1 3.34Å; Y534-H538 VanDerWaalsContact CD2-ND1 3.34Å; Y534-H538 WeakPolarHBondContact CD2-ND1 3.45Å; Y534-H538 AromaticContact CD2-NE2 3.94Å; Y534-H538 HydrophobicContact CE1-CB 4.13Å; Y534-H538 HydrophobicContact CE2-CB 4.29Å; Y534-H538 AromaticContact CE2-CD2 3.42Å; Y534-H538 VanDerWaalsContact CE2-CD2 3.42Å; Y534-H538 WeakPolarHBondContact CE2-CD2 3.47Å; Y534-H538 AromaticContact CE2-CE1 3.32Å; Y534-H538 WeakPolarHBondContact CE2-CE1 3.15Å; Y534-H538 AromaticContact CE2-CG 3.44Å; Y534-H538 VanDerWaalsContact CE2-CG 3.44Å; Y534-H538 AromaticContact CE2-ND1 3.37Å; Y534-H538 WeakPolarHBondContact CE2-ND1 3.33Å; Y534-H538 AromaticContact CE2-NE2 3.35Å; Y534-H538 VanDerWaalsContact CE2-NE2 3.35Å; Y534-H538 WeakPolarHBondContact CE2-NE2 3.48Å; Y534-H538 AromaticContact CG-ND1 3.91Å; Y534-H538 AromaticContact CZ-CD2 3.66Å; Y534-H538 AromaticContact CZ-CG 3.59Å; Y534-H538 AromaticContact CZ-ND1 3.98Å; Y534-H538 VanDerWaalsContact O-CB 3.32Å; Y534-H538 WeakPolarHBondContact O-CB 3.36Å; Y534-H538 PolarHBondContact O-N 3.44Å; Y534-H538 PolarHBondContact O-ND1 3.17Å; Y534-Y539 HydrophobicContact CE1-CE2 4.02Å; Y534-K642 HydrophobicContact CD2-CB 4.22Å; Y534-K642 HydrophobicContact CD2-CD 4.38Å; Y534-K642 HydrophobicContact CE2-CB 4.47Å; Y534-P644 HydrophobicContact CD2-CG 4.08Å; Y534-P644 HydrophobicContact CE1-CG 4.1Å; Y534-P644 HydrophobicContact CE2-CG 3.28Å; Y534-P644 VanDerWaalsContact OH-CG 3.31Å; Y534-P644 WeakPolarHBondContact OH-CG 3.45Å; Y534-Y647 HydrophobicContact CD1-CE1 4.42Å; Y534-Y647 VanDerWaalsContact CD1-OH 3.29Å; Y534-Y647 WeakPolarHBondContact CD1-OH 3.23Å; Y534-Y647 AromaticContact CE1-CE1 3.74Å; Y534-Y647 HydrophobicContact CE1-CE1 3.74Å; Y534-Y647 AromaticContact CE1-CZ 3.69Å; Y534-Y647 VanDerWaalsContact CE1-OH 3.28Å; Y534-Y647 WeakPolarHBondContact CE1-OH 3.38Å
535I92Very high91.2Very high1 Ų130.9 Ų30.91%0.00515%0.149CC..Hα-helixtrans-56-47.1178.2-70.3170.7000111E529 D531 I532 S537 H538 Y539 I541 Y588 L649E529-I535 HydrophobicContact CG-CD1 3.68Å; D531-I535 PolarHBondContact O-N 3.21Å; I532-I535 PolarHBondContact O-N 3.22Å; I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 2.71Å; I535-H538 PolarHBondContact O-N 2.87Å; I535-Y539 PolarHBondContact O-N 3.03Å; I535-I541 HydrophobicContact CG2-CB 4.5Å; I535-I541 HydrophobicContact CG2-CG2 4.37Å; I535-Y588 HydrophobicContact CD1-CD1 4.19Å; I535-Y588 HydrophobicContact CD1-CD2 4.35Å; I535-Y588 HydrophobicContact CD1-CG 4.02Å; I535-Y588 HydrophobicContact CG2-CD1 4.31Å; I535-Y588 HydrophobicContact CG2-CE1 4.05Å; I535-L649 HydrophobicContact CG1-CD2 4.42Å; I535-L649 HydrophobicContact CG2-CD2 3.6Å
536R89.9Confident91Very high73 Ų7336 Ų3628%0.27517%0.169SC..Hα-helixtrans-61.7-39178.9179.9168.4177.9-159-4.3113.3I532 Y534 E542 F547 Y1226I532-R536 WeakPolarHBondContact O-CB 3.02Å; I532-R536 PolarHBondContact O-N 2.77Å; Y534-R536 VanDerWaalsContact C-N 3.31Å; Y534-R536 PolarHBondContact O-N 3.21Å; R536-E542 IonicContact NE-OE1 2.65Å; R536-F547 HydrophobicContact CB-CD2 4.32Å; R536-F547 HydrophobicContact CB-CE1 4.32Å; R536-F547 HydrophobicContact CB-CE2 3.5Å; R536-F547 VanDerWaalsContact CB-CE2 3.5Å; R536-F547 HydrophobicContact CB-CZ 3.52Å; R536-F547 HydrophobicContact CG-CD2 3.81Å; R536-F547 HydrophobicContact CG-CE2 3.39Å; R536-F547 HydrophobicContact CG-CZ 3.95Å; R536-Y1226 HydrophobicContact CG-CE2 4.42Å
537S89.5Confident90.5Very high0 Ų037 Ų370%017%0.173CC..Hα-helixtrans-80.6-27.1-178.349.30000113.2E533 Y534 I535 R621 Q623 H1227E533-S537 WeakPolarHBondContact O-CB 3.45Å; E533-S537 PolarHBondContact O-N 2.83Å; E533-S537 VanDerWaalsContact O-N 3.08Å; E533-S537 PolarHBondContact O-OG 3.26Å; Y534-S537 WeakPolarHBondContact CA-OG 3.44Å; Y534-S537 PolarHBondContact O-N 3.47Å; Y534-S537 VanDerWaalsContact O-N 3.14Å; Y534-S537 PolarHBondContact O-OG 2.66Å; I535-S537 VanDerWaalsContact C-N 3.34Å; I535-S537 PolarHBondContact O-N 2.71Å; S537-R621 WeakPolarHBondContact O-CD 3.39Å; S537-Q623 PolarHBondContact O-NE2 3.45Å; S537-H1227 WeakPolarHBondContact CB-CE1 3.44Å
538H91.8Very high90.1Very high19 Ų1940.9 Ų40.99%0.08820%0.204CC..Hα-helixtrans-105.9-12.3-171.9-67.970.9000114.8Y534 I535 P620 R621 V640Y534-H538 AromaticContact CD2-CE1 3.41Å; Y534-H538 VanDerWaalsContact CD2-CE1 3.41Å; Y534-H538 WeakPolarHBondContact CD2-CE1 3.07Å; Y534-H538 AromaticContact CD2-CG 3.86Å; Y534-H538 AromaticContact CD2-ND1 3.34Å; Y534-H538 VanDerWaalsContact CD2-ND1 3.34Å; Y534-H538 WeakPolarHBondContact CD2-ND1 3.45Å; Y534-H538 AromaticContact CD2-NE2 3.94Å; Y534-H538 HydrophobicContact CE1-CB 4.13Å; Y534-H538 HydrophobicContact CE2-CB 4.29Å; Y534-H538 AromaticContact CE2-CD2 3.42Å; Y534-H538 VanDerWaalsContact CE2-CD2 3.42Å; Y534-H538 WeakPolarHBondContact CE2-CD2 3.47Å; Y534-H538 AromaticContact CE2-CE1 3.32Å; Y534-H538 WeakPolarHBondContact CE2-CE1 3.15Å; Y534-H538 AromaticContact CE2-CG 3.44Å; Y534-H538 VanDerWaalsContact CE2-CG 3.44Å; Y534-H538 AromaticContact CE2-ND1 3.37Å; Y534-H538 WeakPolarHBondContact CE2-ND1 3.33Å; Y534-H538 AromaticContact CE2-NE2 3.35Å; Y534-H538 VanDerWaalsContact CE2-NE2 3.35Å; Y534-H538 WeakPolarHBondContact CE2-NE2 3.48Å; Y534-H538 AromaticContact CG-ND1 3.91Å; Y534-H538 AromaticContact CZ-CD2 3.66Å; Y534-H538 AromaticContact CZ-CG 3.59Å; Y534-H538 AromaticContact CZ-ND1 3.98Å; Y534-H538 VanDerWaalsContact O-CB 3.32Å; Y534-H538 WeakPolarHBondContact O-CB 3.36Å; Y534-H538 PolarHBondContact O-N 3.44Å; Y534-H538 PolarHBondContact O-ND1 3.17Å; I535-H538 PolarHBondContact O-N 2.87Å; H538-P620 CarbonylContact O-C 3.54Å; H538-P620 WeakPolarHBondContact O-CA 3.43Å; H538-R621 PolarHBondContact O-N 3.46Å; H538-V640 PolarHBondContact CE1-O 3.17Å; H538-V640 VanDerWaalsContact CE1-O 3.3Å
539Y93.6Very high89.9Confident0 Ų041.5 Ų41.50%021%0.206CC..BIsolated β-bridgetrans-133.8150.2-179.3-59.7-89.4000112.5Y534 I535 I541 P620 R621 Y647 L649 L730Y534-Y539 HydrophobicContact CE1-CE2 4.02Å; I535-Y539 PolarHBondContact O-N 3.03Å; Y539-I541 PolarHBondContact O-N 2.76Å; Y539-P620 HydrophobicContact CD1-CB 4.35Å; Y539-P620 HydrophobicContact CE1-CB 4.33Å; Y539-R621 PolarHBondContact O-NE 3.25Å; Y539-Y647 AromaticContact CE2-CE2 3.82Å; Y539-Y647 HydrophobicContact CE2-CE2 3.82Å; Y539-Y647 AromaticContact CZ-CE2 3.74Å; Y539-Y647 VanDerWaalsContact OH-CD2 3.23Å; Y539-Y647 WeakPolarHBondContact OH-CD2 3.35Å; Y539-Y647 VanDerWaalsContact OH-CE2 3.24Å; Y539-Y647 WeakPolarHBondContact OH-CE2 3.43Å; Y539-Y647 PolarHBondContact OH-O 3.23Å; Y539-L649 HydrophobicContact CD1-CB 3.64Å; Y539-L649 HydrophobicContact CD1-CD2 4.11Å; Y539-L649 HydrophobicContact CD2-CB 4.32Å; Y539-L649 HydrophobicContact CD2-CD2 3.72Å; Y539-L649 HydrophobicContact CE1-CB 3.55Å; Y539-L649 HydrophobicContact CE2-CB 4.24Å; Y539-L649 HydrophobicContact CE2-CD2 4.26Å; Y539-L649 HydrophobicContact CG-CB 4.05Å; Y539-L649 HydrophobicContact CG-CD2 3.63Å; Y539-L730 HydrophobicContact CE1-CD2 4.4Å
540N92.7Very high89.8Confident32 Ų3241.7 Ų41.717%0.17121%0.207CC..  trans-75.447.4175.1-79.2-4.5000112.5E542 D543 R619 R621N540-E542 PolarHBondContact O-N 3.37Å; N540-D543 WeakPolarHBondContact O-CB 3.39Å; N540-D543 PolarHBondContact O-N 2.86Å; N540-R619 HydrophobicContact CB-CB 4.45Å; N540-R619 PolarHBondContact N-O 3.21Å; N540-R621 WeakPolarHBondContact OD1-CG 3.35Å; N540-R621 PolarHBondContact OD1-NE 3.21Å; N540-R621 PolarHBondContact OD1-NH1 2.99Å; N540-R621 PolarHBondContact OD1-NH2 2.82Å
541I92.4Very high89.9Confident0 Ų042 Ų420%021%0.207CC..G310 helixtrans-70.8-17.2-177.5-17266.4000112.9I535 Y539 D543 F544 I545 F547 Y588 V618 H651I535-I541 HydrophobicContact CG2-CB 4.5Å; I535-I541 HydrophobicContact CG2-CG2 4.37Å; Y539-I541 PolarHBondContact O-N 2.76Å; I541-D543 PolarHBondContact O-N 2.91Å; I541-F544 HydrophobicContact CD1-CD2 4.3Å; I541-F544 CarbonylContact O-C 3.42Å; I541-F544 WeakPolarHBondContact O-CA 3.21Å; I541-F544 PolarHBondContact O-N 2.81Å; I541-I545 HydrophobicContact CG1-CD1 4.03Å; I541-I545 HydrophobicContact CG1-CG1 4.07Å; I541-I545 PolarHBondContact O-N 3.05Å; I541-F547 HydrophobicContact CB-CE2 4.39Å; I541-F547 HydrophobicContact CB-CZ 4.47Å; I541-F547 HydrophobicContact CG1-CZ 4.38Å; I541-F547 HydrophobicContact CG2-CD2 4.15Å; I541-F547 HydrophobicContact CG2-CE2 3.03Å; I541-F547 HydrophobicContact CG2-CZ 3.28Å; I541-Y588 HydrophobicContact CD1-CD1 4.43Å; I541-Y588 HydrophobicContact CD1-CE1 3.68Å; I541-Y588 HydrophobicContact CG1-CE1 3.87Å; I541-V618 HydrophobicContact CB-CG1 4.15Å; I541-V618 HydrophobicContact CD1-CG1 4.31Å; I541-V618 HydrophobicContact CD1-CG2 3.95Å; I541-H651 HydrophobicContact CD1-CB 3.82Å; I541-H651 VanDerWaalsContact CD1-CG 3.45Å
542E88.9Confident90Very high35 Ų3546.9 Ų46.916%0.16422%0.22CC..G310 helixtrans-67.2-18.8175.4-68.2156.9179.200113.2R536 N540 F544 I545 F547 R621 R1155 Y1223R536-E542 IonicContact NE-OE1 2.65Å; N540-E542 PolarHBondContact O-N 3.37Å; E542-F544 PolarHBondContact O-N 3.23Å; E542-I545 WeakPolarHBondContact CA-O 3.16Å; E542-F547 HydrophobicContact CG-CD2 3.96Å; E542-F547 HydrophobicContact CG-CE2 4.31Å; E542-R621 IonicContact OE2-CZ 3.64Å; E542-R621 IonicContact OE2-NH2 3.67Å; E542-R621 PolarHBondContact OE2-NH2 2.87Å; E542-R1155 IonicContact OE1-CZ 3.79Å; E542-R1155 IonicContact OE1-NH1 2.92Å; E542-R1155 IonicContact OE1-NH2 3.4Å; E542-R1155 PolarHBondContact OE1-NH2 3.12Å; E542-R1155 IonicContact OE2-CZ 2.76Å; E542-R1155 IonicContact OE2-NE 3.55Å; E542-R1155 IonicContact OE2-NH1 3.33Å; E542-R1155 IonicContact OE2-NH2 2.89Å; E542-R1155 PolarHBondContact OE2-NH2 2.95Å; E542-Y1223 PolarHBondContact OE1-OH 3.43Å; E542-Y1223 PolarHBondContact OE2-OH 3.34Å
543D89.3Confident90.1Very high111 Ų11152.8 Ų52.859%0.59425%0.248SC*.G310 helixtrans-62.7-22168.9-61.7-9000110.7N540 I541N540-D543 WeakPolarHBondContact O-CB 3.39Å; N540-D543 PolarHBondContact O-N 2.86Å; I541-D543 PolarHBondContact O-N 2.91Å
544F91.1Very high90.4Very high20 Ų2051 Ų519%0.08824%0.239CC..THydrogen-bonded Turntrans-114.5-24.1-176.7-54.6-70.6000114.2I541 E542 V616 V618 N653 K655 L656I541-F544 HydrophobicContact CD1-CD2 4.3Å; I541-F544 CarbonylContact O-C 3.42Å; I541-F544 WeakPolarHBondContact O-CA 3.21Å; I541-F544 PolarHBondContact O-N 2.81Å; E542-F544 PolarHBondContact O-N 3.23Å; F544-V616 HydrophobicContact CD1-CG2 3.81Å; F544-V616 HydrophobicContact CD2-CG2 4.31Å; F544-V616 HydrophobicContact CE1-CB 4.03Å; F544-V616 HydrophobicContact CE1-CG1 4.38Å; F544-V616 HydrophobicContact CE1-CG2 3.53Å; F544-V616 HydrophobicContact CE2-CG2 4.05Å; F544-V616 HydrophobicContact CG-CG2 4.19Å; F544-V616 HydrophobicContact CZ-CB 4.07Å; F544-V616 HydrophobicContact CZ-CG2 3.65Å; F544-V618 HydrophobicContact CD2-CG1 4.41Å; F544-V618 HydrophobicContact CD2-CG2 4.23Å; F544-V618 HydrophobicContact CE2-CB 4.41Å; F544-V618 HydrophobicContact CE2-CG1 4.17Å; F544-V618 HydrophobicContact CE2-CG2 4.04Å; F544-N653 PolarHBondContact O-ND2 2.95Å; F544-N653 VanDerWaalsContact O-ND2 3.1Å; F544-K655 WeakPolarHBondContact O-CE 3.49Å; F544-K655 PolarHBondContact O-NZ 3.29Å; F544-L656 HydrophobicContact CD1-CD1 4.29Å
545I91.6Very high90.6Very high2 Ų250.7 Ų50.71%0.0124%0.238CC..  trans-143.9149-179.664.8176.1000114.3E49 I541 E542 F547 Y588 N653E49-I545 WeakPolarHBondContact OE1-CA 3.28Å; E49-I545 WeakPolarHBondContact OE1-CB 3.39Å; I541-I545 HydrophobicContact CG1-CD1 4.03Å; I541-I545 HydrophobicContact CG1-CG1 4.07Å; I541-I545 PolarHBondContact O-N 3.05Å; E542-I545 WeakPolarHBondContact CA-O 3.16Å; I545-F547 HydrophobicContact CD1-CD1 3.99Å; I545-F547 HydrophobicContact CD1-CE1 3.9Å; I545-F547 HydrophobicContact CD1-CG 4.32Å; I545-F547 HydrophobicContact CD1-CZ 4.21Å; I545-F547 HydrophobicContact CG1-CD2 4.5Å; I545-F547 PolarHBondContact O-N 3.04Å; I545-Y588 WeakPolarHBondContact CD1-OH 3.41Å; I545-N653 HydrophobicContact CG2-CB 4.48Å; I545-N653 WeakPolarHBondContact CG2-ND2 3.44Å
546Y88.2Confident90.7Very high108 Ų10850.7 Ų50.742%0.42424%0.238SC..  trans-89.387.8166.2-68.2-63.1000110.6S21 E49 S548 H549 H550S21-Y546 WeakPolarHBondContact CB-OH 3.27Å; E49-Y546 HydrophobicContact CG-CD2 4.4Å; E49-Y546 PolarHBondContact OE1-N 2.98Å; E49-Y546 VanDerWaalsContact OE2-CD2 3.25Å; E49-Y546 WeakPolarHBondContact OE2-CD2 3.19Å; Y546-S548 PolarHBondContact O-N 2.86Å; Y546-H549 WeakPolarHBondContact O-CB 3.43Å; Y546-H549 PolarHBondContact O-N 2.88Å; Y546-H550 PolarHBondContact O-CD2 3.08Å; Y546-H550 VanDerWaalsContact O-CD2 3.28Å
547F85Confident90.8Very high21 Ų2148.4 Ų48.49%0.09223%0.231CC..G310 helixtrans-42.9-36.9-175.1-92.7-68000116.4I532 R536 I541 E542 I545 H549 H550 H555I532-F547 HydrophobicContact CG2-CE1 3.88Å; R536-F547 HydrophobicContact CB-CD2 4.32Å; R536-F547 HydrophobicContact CB-CE1 4.32Å; R536-F547 HydrophobicContact CB-CE2 3.5Å; R536-F547 VanDerWaalsContact CB-CE2 3.5Å; R536-F547 HydrophobicContact CB-CZ 3.52Å; R536-F547 HydrophobicContact CG-CD2 3.81Å; R536-F547 HydrophobicContact CG-CE2 3.39Å; R536-F547 HydrophobicContact CG-CZ 3.95Å; I541-F547 HydrophobicContact CB-CE2 4.39Å; I541-F547 HydrophobicContact CB-CZ 4.47Å; I541-F547 HydrophobicContact CG1-CZ 4.38Å; I541-F547 HydrophobicContact CG2-CD2 4.15Å; I541-F547 HydrophobicContact CG2-CE2 3.03Å; I541-F547 HydrophobicContact CG2-CZ 3.28Å; E542-F547 HydrophobicContact CG-CD2 3.96Å; E542-F547 HydrophobicContact CG-CE2 4.31Å; I545-F547 HydrophobicContact CD1-CD1 3.99Å; I545-F547 HydrophobicContact CD1-CE1 3.9Å; I545-F547 HydrophobicContact CD1-CG 4.32Å; I545-F547 HydrophobicContact CD1-CZ 4.21Å; I545-F547 HydrophobicContact CG1-CD2 4.5Å; I545-F547 PolarHBondContact O-N 3.04Å; F547-H549 PolarHBondContact O-N 3.04Å; F547-H549 VanDerWaalsContact O-N 3.11Å; F547-H550 PolarHBondContact O-N 3.02Å; F547-H550 VanDerWaalsContact O-N 3.08Å; F547-H555 AromaticContact CD1-CE1 3.91Å; F547-H555 AromaticContact CE1-CE1 3.79Å
548S84.9Confident90.9Very high106 Ų10648.4 Ų48.474%0.74123%0.231SC*.G310 helixtrans-61.8-16.2178.450.70000114.5Y546Y546-S548 PolarHBondContact O-N 2.86Å
549H88.8Confident90.7Very high42 Ų4248.2 Ų48.219%0.19423%0.23CC..G310 helixtrans-99.97.2178.7-64.1-45000113.3I45 Y46 E49 K50 Y546 F547I45-H549 WeakPolarHBondContact CG2-NE2 3.05Å; Y46-H549 HydrophobicContact CD2-CB 3.97Å; Y46-H549 HydrophobicContact CE2-CB 4.47Å; E49-H549 HydrophobicContact CG-CB 4.21Å; K50-H549 WeakPolarHBondContact CE-O 3.31Å; K50-H549 PolarHBondContact NZ-O 3.27Å; K50-H549 VanDerWaalsContact NZ-O 3.11Å; Y546-H549 WeakPolarHBondContact O-CB 3.43Å; Y546-H549 PolarHBondContact O-N 2.88Å; F547-H549 PolarHBondContact O-N 3.04Å; F547-H549 VanDerWaalsContact O-N 3.11Å
550H90.8Very high90.5Very high19 Ų1948.3 Ų48.39%0.08823%0.23CC..  trans-120.9127.8177.4-58.1-99.4000110.8E49 K50 Y546 F547 E554 H555 S585E49-H550 WeakPolarHBondContact CG-NE2 3.46Å; E49-H550 IonicContact OE1-CE1 3.24Å; E49-H550 IonicContact OE1-NE2 2.85Å; E49-H550 PolarHBondContact OE1-NE2 2.87Å; K50-H550 PolarHBondContact NZ-ND1 3.04Å; Y546-H550 PolarHBondContact O-CD2 3.08Å; Y546-H550 VanDerWaalsContact O-CD2 3.28Å; F547-H550 PolarHBondContact O-N 3.02Å; F547-H550 VanDerWaalsContact O-N 3.08Å; H550-E554 VanDerWaalsContact CA-OE2 3.25Å; H550-E554 WeakPolarHBondContact CA-OE2 3.43Å; H550-H555 WeakPolarHBondContact CB-NE2 3.36Å; H550-S585 WeakPolarHBondContact ND1-CB 3.31Å; H550-S585 PolarHBondContact ND1-OG 3.27Å
551Q91.8Very high90.5Very high132 Ų13246.8 Ų46.862%0.61722%0.222SC*.  trans-80.5152.3172.8-57.2-178.8-9.100109.8E553 E554 H555Q551-E553 PolarHBondContact O-N 2.89Å; Q551-E553 VanDerWaalsContact O-N 3.13Å; Q551-E554 HydrophobicContact CB-CG 4.11Å; Q551-E554 PolarHBondContact N-OE2 2.65Å; Q551-E554 WeakPolarHBondContact O-CB 3.43Å; Q551-E554 PolarHBondContact O-N 3.27Å; Q551-H555 PolarHBondContact O-CD2 3.38Å
552R90.3Very high90.3Very high168 Ų16846.9 Ų46.963%0.63422%0.223SC*.G310 helixtrans-52.3-39.5-178.6-74.2-171.5171.8-179.3-1.7113.3I532 E533 E554 H555I532-R552 HydrophobicContact CD1-CB 3.98Å; I532-R552 HydrophobicContact CD1-CG 3.97Å; E533-R552 IonicContact OE1-CZ 3.52Å; E533-R552 IonicContact OE1-NE 3.86Å; E533-R552 IonicContact OE1-NH2 3.52Å; E533-R552 PolarHBondContact OE1-NH2 2.99Å; R552-E554 VanDerWaalsContact C-N 3.25Å; R552-E554 PolarHBondContact O-N 3.05Å; R552-H555 PolarHBondContact O-N 2.87Å
553E91.2Very high90.4Very high138 Ų13845.6 Ų45.665%0.64522%0.217SC*.G310 helixtrans-69.4-21.5-179.5-63.5164.4-16100113.2Q551 H555 K584Q551-E553 PolarHBondContact O-N 2.89Å; Q551-E553 VanDerWaalsContact O-N 3.13Å; E553-H555 VanDerWaalsContact C-N 3.27Å; E553-H555 PolarHBondContact O-N 2.91Å; E553-K584 WeakPolarHBondContact O-CD 3.39Å; E553-K584 PolarHBondContact O-NZ 3.35Å
554E93.4Very high90.4Very high34 Ų3442.1 Ų42.116%0.15920%0.199CC..G310 helixtrans-81.7-6.5179.9-58.9-179.2109.800113.1K50 H550 Q551 R552 K584 S585 C586K50-E554 IonicContact NZ-OE1 3.64Å; K50-E554 PolarHBondContact NZ-OE1 3.42Å; K50-E554 IonicContact NZ-OE2 3.43Å; K50-E554 PolarHBondContact NZ-OE2 3.22Å; H550-E554 VanDerWaalsContact CA-OE2 3.25Å; H550-E554 WeakPolarHBondContact CA-OE2 3.43Å; Q551-E554 HydrophobicContact CB-CG 4.11Å; Q551-E554 PolarHBondContact N-OE2 2.65Å; Q551-E554 WeakPolarHBondContact O-CB 3.43Å; Q551-E554 PolarHBondContact O-N 3.27Å; R552-E554 VanDerWaalsContact C-N 3.25Å; R552-E554 PolarHBondContact O-N 3.05Å; E554-K584 WeakPolarHBondContact O-CA 3.43Å; E554-S585 VanDerWaalsContact CB-OG 3.27Å; E554-S585 WeakPolarHBondContact CB-OG 3.43Å; E554-S585 PolarHBondContact O-N 3.36Å; E554-S585 PolarHBondContact O-OG 3.43Å; E554-C586 PolarHBondContact O-N 2.65Å
555H94.9Very high90.2Very high4 Ų443.3 Ų43.32%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-89.3114.8174.4-64.5-87.3000109.4E529 I532 F547 H550 Q551 R552 E553 Y588E529-H555 HydrophobicContact CB-CB 3.97Å; E529-H555 PolarHBondContact N-O 3.48Å; I532-H555 HydrophobicContact CD1-CB 3.89Å; I532-H555 HydrophobicContact CG1-CB 4.16Å; F547-H555 AromaticContact CD1-CE1 3.91Å; F547-H555 AromaticContact CE1-CE1 3.79Å; H550-H555 WeakPolarHBondContact CB-NE2 3.36Å; Q551-H555 PolarHBondContact O-CD2 3.38Å; R552-H555 PolarHBondContact O-N 2.87Å; E553-H555 VanDerWaalsContact C-N 3.27Å; E553-H555 PolarHBondContact O-N 2.91Å; H555-Y588 HydrophobicContact CB-CE2 3.83Å; H555-Y588 PolarHBondContact CE1-OH 3.2Å; H555-Y588 AromaticContact CG-CE2 3.97Å; H555-Y588 AromaticContact ND1-CE2 3.37Å; H555-Y588 WeakPolarHBondContact ND1-CE2 3.49Å; H555-Y588 AromaticContact ND1-CZ 3.57Å; H555-Y588 PolarHBondContact ND1-OH 3.45Å
556G94.4Very high90Very high0 Ų044.9 Ų44.90%022%0.217CC..EExtended strand (participates in β ladder)trans-105.5140.9176.800000111.9R527 C586 L587 Y588R527-G556 CarbonylContact O-C 3.57Å; R527-G556 WeakPolarHBondContact O-CA 3.28Å; G556-C586 PolarHBondContact N-O 2.92Å; G556-L587 CarbonylContact O-C 3.59Å; G556-L587 VanDerWaalsContact O-CA 3.3Å; G556-L587 WeakPolarHBondContact O-CA 3.36Å; G556-Y588 WeakPolarHBondContact O-CD2 3.47Å; G556-Y588 PolarHBondContact O-N 3.19Å
557H93Very high90.1Very high26 Ų2640.3 Ų40.312%0.1220%0.199CC..EExtended strand (participates in β ladder)trans-97.7117.6168.5-176.2125.9000108.3I526 R527 E529 P590 H606I526-H557 CarbonylContact C-O 3.59Å; I526-H557 WeakPolarHBondContact CA-O 3.17Å; I526-H557 WeakPolarHBondContact CB-O 3.4Å; R527-H557 HydrophobicContact CB-CB 4.29Å; R527-H557 PolarHBondContact N-O 2.93Å; R527-H557 PolarHBondContact O-N 2.92Å; E529-H557 HydrophobicContact CB-CB 4.4Å; E529-H557 WeakPolarHBondContact OE2-CB 3.37Å; E529-H557 IonicContact OE2-CG 2.91Å; E529-H557 IonicContact OE2-ND1 3.42Å; E529-H557 PolarHBondContact OE2-ND1 2.85Å; H557-P590 WeakPolarHBondContact CE1-CG 3.18Å; H557-H606 AromaticContact NE2-CE1 3.35Å; H557-H606 PolarHBondContact NE2-CE1 3.11Å
558M91.8Very high90.2Very high0 Ų042.1 Ų42.10%021%0.205CC..EExtended strand (participates in β ladder)trans-85.1118176.3-177.2168.556.800109.7I526 F561 L575 Y588 Y589 L608 L615I526-M558 HydrophobicContact CG2-CB 4.43Å; I526-M558 HydrophobicContact CG2-CG 4.48Å; M558-F561 HydrophobicContact SD-CB 4.13Å; M558-F561 HydrophobicContact SD-CD2 4.18Å; M558-F561 HydrophobicContact SD-CG 4.5Å; M558-L575 HydrophobicContact SD-CD2 4.15Å; M558-Y588 PolarHBondContact N-O 3.2Å; M558-Y589 HydrophobicContact CB-CD2 4.46Å; M558-Y589 HydrophobicContact CE-CD2 4.07Å; M558-Y589 HydrophobicContact CE-CG 4.15Å; M558-Y589 VanDerWaalsContact O-CD2 3.32Å; M558-Y589 WeakPolarHBondContact O-CD2 3.23Å; M558-L608 HydrophobicContact CE-CD1 3.4Å; M558-L608 HydrophobicContact CG-CD1 4.3Å; M558-L608 HydrophobicContact SD-CD1 3.83Å; M558-L615 HydrophobicContact CE-CD1 3.63Å; M558-L615 HydrophobicContact CE-CD2 4.15Å; M558-L615 HydrophobicContact CE-CG 4.46Å
559H87.7Confident90.3Very high15 Ų1538.1 Ų38.17%0.06918%0.175CC..EExtended strand (participates in β ladder)trans-100.9-43.4-175-162-100.6000112.7D493 V525 R527 H606D493-H559 IonicContact OD2-CE1 2.95Å; D493-H559 IonicContact OD2-CG 3.53Å; D493-H559 IonicContact OD2-ND1 3.89Å; D493-H559 PolarHBondContact OD2-ND1 2.82Å; D493-H559 VanDerWaalsContact OD2-ND1 3.13Å; V525-H559 PolarHBondContact O-N 2.8Å; R527-H559 PolarHBondContact NH1-CD2 2.8Å; R527-H559 VanDerWaalsContact NH1-CD2 3.33Å; R527-H559 PolarHBondContact NH1-ND1 2.97Å; R527-H559 VanDerWaalsContact NH1-ND1 3.13Å; H559-H606 AromaticContact CD2-CE1 3.55Å; H559-H606 AromaticContact CD2-ND1 3.47Å; H559-H606 PolarHBondContact CD2-ND1 2.9Å; H559-H606 AromaticContact CG-ND1 3.93Å; H559-H606 AromaticContact NE2-CE1 3.9Å; H559-H606 AromaticContact NE2-ND1 3.82Å
560H89.4Confident90.4Very high1 Ų136.8 Ų36.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-132.6138.8179.8-59.9-52.7000110.3S489 I490 D493 A524 V525 S607S489-H560 PolarHBondContact OG-CE1 2.92Å; S489-H560 PolarHBondContact OG-NE2 2.93Å; I490-H560 HydrophobicContact CG1-CB 4.2Å; D493-H560 IonicContact OD2-CD2 2.76Å; D493-H560 PolarHBondContact OD2-CD2 3.19Å; D493-H560 VanDerWaalsContact OD2-CD2 3.31Å; D493-H560 IonicContact OD2-NE2 3.51Å; D493-H560 PolarHBondContact OD2-NE2 3.36Å; A524-H560 CarbonylContact C-O 3.51Å; A524-H560 VanDerWaalsContact CA-O 3.27Å; A524-H560 WeakPolarHBondContact CA-O 3.37Å; V525-H560 HydrophobicContact CB-CB 4.06Å; V525-H560 HydrophobicContact CG2-CB 4.21Å; V525-H560 PolarHBondContact N-O 3.05Å; V525-H560 PolarHBondContact O-N 3.08Å; H560-S607 PolarHBondContact ND1-OG 3.24Å
561F90.9Very high90.3Very high0 Ų035.9 Ų35.90%016%0.164CC..EExtended strand (participates in β ladder)trans-149121168.5-171.9-79.8000110.3I523 A524 M558 L563 T571 F574 L575 I578 S607 L608 A611I523-F561 WeakPolarHBondContact O-CA 3.44Å; A524-F561 HydrophobicContact CB-CD2 3.86Å; A524-F561 HydrophobicContact CB-CE2 4.43Å; M558-F561 HydrophobicContact SD-CB 4.13Å; M558-F561 HydrophobicContact SD-CD2 4.18Å; M558-F561 HydrophobicContact SD-CG 4.5Å; F561-L563 HydrophobicContact CE1-CB 3.88Å; F561-L563 HydrophobicContact CZ-CB 4.43Å; F561-T571 HydrophobicContact CE1-CG2 4.08Å; F561-T571 HydrophobicContact CZ-CG2 3.9Å; F561-F574 HydrophobicContact CE1-CD1 4.48Å; F561-F574 HydrophobicContact CE2-CB 4.29Å; F561-F574 AromaticContact CE2-CD1 3.54Å; F561-F574 HydrophobicContact CE2-CD1 3.54Å; F561-F574 AromaticContact CE2-CE1 3.96Å; F561-F574 HydrophobicContact CE2-CE1 3.96Å; F561-F574 AromaticContact CE2-CG 3.91Å; F561-F574 HydrophobicContact CE2-CG 3.91Å; F561-F574 HydrophobicContact CZ-CB 4.2Å; F561-F574 AromaticContact CZ-CD1 3.47Å; F561-F574 HydrophobicContact CZ-CD1 3.47Å; F561-F574 VanDerWaalsContact CZ-CD1 3.47Å; F561-F574 HydrophobicContact CZ-CE1 4.12Å; F561-F574 HydrophobicContact CZ-CG 4.07Å; F561-L575 HydrophobicContact CD2-CD2 4.37Å; F561-L575 HydrophobicContact CE2-CD2 4.08Å; F561-I578 HydrophobicContact CD2-CD1 4.23Å; F561-I578 HydrophobicContact CE2-CD1 4.03Å; F561-S607 PolarHBondContact N-O 3.33Å; F561-L608 HydrophobicContact CB-CD1 3.38Å; F561-L608 HydrophobicContact CB-CG 4.01Å; F561-L608 HydrophobicContact CG-CD1 4.29Å; F561-A611 HydrophobicContact CD1-CB 3.5Å; F561-A611 VanDerWaalsContact CD1-CB 3.5Å; F561-A611 HydrophobicContact CD2-CB 4.42Å; F561-A611 HydrophobicContact CE1-CB 3.6Å; F561-A611 HydrophobicContact CE2-CB 4.49Å; F561-A611 HydrophobicContact CG-CB 3.95Å; F561-A611 HydrophobicContact CZ-CB 4.11Å
562A89.4Confident90.3Very high3 Ų332.8 Ų32.83%0.02515%0.148CC..EExtended strand (participates in β ladder)trans-134138.9172.400000109.8V481 L484 G522 I523V481-A562 HydrophobicContact CG1-CB 4.48Å; L484-A562 HydrophobicContact CD1-CB 3.65Å; G522-A562 CarbonylContact C-O 3.49Å; G522-A562 WeakPolarHBondContact CA-O 2.93Å; I523-A562 HydrophobicContact CG2-CB 4.01Å; I523-A562 PolarHBondContact N-O 2.97Å; I523-A562 PolarHBondContact O-N 3.1Å
563L89.9Confident90.4Very high8 Ų825.6 Ų25.64%0.04212%0.121CC..EExtended strand (participates in β ladder)trans-143.2134.9176.9-176.265.4000108.2A514 F561 F567 T571 F574A514-L563 HydrophobicContact CB-CD1 4.5Å; F561-L563 HydrophobicContact CE1-CB 3.88Å; F561-L563 HydrophobicContact CZ-CB 4.43Å; L563-F567 HydrophobicContact CD1-CB 4.35Å; L563-F567 WeakPolarHBondContact CD2-O 3.28Å; L563-F567 HydrophobicContact CG-CB 4.5Å; L563-T571 WeakPolarHBondContact CD2-OG1 3.47Å; L563-F574 HydrophobicContact CD1-CD1 4.23Å
564N89.6Confident90.6Very high38 Ų3819 Ų1920%0.2039%0.091CC..  trans-57.3128.1175179.8-33.7000109.5L480 V521 I566 F567L480-N564 HydrophobicContact CD1-CB 4.07Å; V521-N564 HydrophobicContact CB-CB 4.27Å; V521-N564 WeakPolarHBondContact O-CB 3.49Å; V521-N564 PolarHBondContact O-N 3.27Å; N564-I566 PolarHBondContact O-N 2.83Å; N564-I566 WeakPolarHBondContact OD1-CB 3.46Å; N564-I566 PolarHBondContact OD1-N 2.91Å; N564-F567 HydrophobicContact CB-CD2 4.18Å; N564-F567 PolarHBondContact O-N 2.9Å
565P86.3Confident90.6Very high45 Ų4517.5 Ų17.529%0.2928%0.084SC..G310 helixtrans-51.7-31.3-177-29.735.9000115P261 F262 V438 F567 R568P261-P565 HydrophobicContact CB-CG 4.2Å; F262-P565 HydrophobicContact CE1-CB 4.04Å; F262-P565 HydrophobicContact CE2-CB 4.37Å; F262-P565 HydrophobicContact CZ-CB 3.66Å; V438-P565 VanDerWaalsContact CG2-O 3.32Å; V438-P565 WeakPolarHBondContact CG2-O 3.3Å; P565-F567 PolarHBondContact O-N 3Å; P565-R568 WeakPolarHBondContact O-CB 3.42Å; P565-R568 PolarHBondContact O-N 3.2Å; P565-R568 VanDerWaalsContact O-N 3.08Å
566I89.2Confident90.6Very high35 Ų3517.8 Ų17.818%0.1799%0.085CC..G310 helixtrans-54.5-35.9175.8-70.1169.4000111.9F262 H456 A458 N564F262-I566 HydrophobicContact CD1-CG1 4.35Å; F262-I566 HydrophobicContact CE1-CG1 4.02Å; H456-I566 HydrophobicContact CB-CB 4.48Å; H456-I566 HydrophobicContact CB-CG1 4Å; H456-I566 HydrophobicContact CB-CG2 4Å; A458-I566 HydrophobicContact CB-CG2 4.15Å; N564-I566 PolarHBondContact O-N 2.83Å; N564-I566 WeakPolarHBondContact OD1-CB 3.46Å; N564-I566 PolarHBondContact OD1-N 2.91Å
567F90.4Very high90.6Very high11 Ų1117.9 Ų17.95%0.0489%0.086CC..G310 helixtrans-101.916.7-176.8-58.4-73.7000112.7A458 V516 V521 L563 N564 P565 H569 Y570A458-F567 HydrophobicContact CB-CZ 4.19Å; A458-F567 WeakPolarHBondContact O-CE1 3.46Å; V516-F567 HydrophobicContact CB-CE1 4.31Å; V516-F567 HydrophobicContact CB-CZ 4.08Å; V516-F567 HydrophobicContact CG1-CE1 3.89Å; V516-F567 HydrophobicContact CG1-CZ 3.82Å; V516-F567 HydrophobicContact CG2-CD1 4.29Å; V516-F567 HydrophobicContact CG2-CE1 4Å; V516-F567 HydrophobicContact CG2-CZ 4.16Å; V521-F567 HydrophobicContact CB-CD2 3.78Å; V521-F567 HydrophobicContact CB-CE2 3.94Å; V521-F567 HydrophobicContact CG1-CD2 3.96Å; V521-F567 HydrophobicContact CG1-CE2 3.55Å; V521-F567 HydrophobicContact CG1-CZ 4.38Å; V521-F567 HydrophobicContact CG2-CD2 3.96Å; V521-F567 HydrophobicContact CG2-CE2 4.27Å; V521-F567 HydrophobicContact CG2-CG 4.45Å; L563-F567 HydrophobicContact CD1-CB 4.35Å; L563-F567 WeakPolarHBondContact CD2-O 3.28Å; L563-F567 HydrophobicContact CG-CB 4.5Å; N564-F567 HydrophobicContact CB-CD2 4.18Å; N564-F567 PolarHBondContact O-N 2.9Å; P565-F567 PolarHBondContact O-N 3Å; F567-H569 PolarHBondContact O-N 3.08Å; F567-H569 VanDerWaalsContact O-N 3.11Å; F567-Y570 HydrophobicContact CB-CD2 4.28Å; F567-Y570 HydrophobicContact CD1-CD2 4.15Å; F567-Y570 HydrophobicContact CD1-CE2 4.33Å; F567-Y570 WeakPolarHBondContact O-CB 3.42Å; F567-Y570 PolarHBondContact O-N 3.47Å
568R86.9Confident90.7Very high60 Ų6016.7 Ų16.723%0.2268%0.08CC..G310 helixtrans-54.9-32.7-176.7-177.4178.5-177.9173.71.6113.7V438 P565 Y570 T571 Y614V438-R568 HydrophobicContact CG2-CB 4.01Å; P565-R568 WeakPolarHBondContact O-CB 3.42Å; P565-R568 PolarHBondContact O-N 3.2Å; P565-R568 VanDerWaalsContact O-N 3.08Å; R568-Y570 PolarHBondContact O-N 3.35Å; R568-T571 WeakPolarHBondContact O-CB 3.21Å; R568-T571 PolarHBondContact O-N 3.21Å; R568-T571 PolarHBondContact O-OG1 3.35Å; R568-Y614 PolarHBondContact O-OH 3.41Å
569H86.1Confident90.9Very high22 Ų2216.7 Ų16.710%0.1028%0.08CC..G310 helixtrans-63.4-24.517760-86.5000112.5G459 F567 T571G459-H569 PolarHBondContact O-NE2 2.74Å; F567-H569 PolarHBondContact O-N 3.08Å; F567-H569 VanDerWaalsContact O-N 3.11Å; H569-T571 VanDerWaalsContact C-N 3.28Å; H569-T571 PolarHBondContact O-N 3.24Å
570Y90.1Very high91.2Very high14 Ų1416.4 Ų16.46%0.0558%0.078CC..G310 helixtrans-80.93.6173.3-68.8-54.3000114.8L100 L461 I464 F567 R568 K572 F573 F574L100-Y570 HydrophobicContact CD1-CD1 4.09Å; L100-Y570 HydrophobicContact CD1-CE1 3.99Å; L100-Y570 HydrophobicContact CD2-CD1 4.41Å; L100-Y570 HydrophobicContact CD2-CE1 3.67Å; L100-Y570 HydrophobicContact CG-CE1 4.5Å; L461-Y570 PolarHBondContact O-OH 3.22Å; I464-Y570 HydrophobicContact CB-CD2 4.34Å; I464-Y570 HydrophobicContact CB-CE2 4.41Å; I464-Y570 HydrophobicContact CD1-CD2 3.85Å; I464-Y570 HydrophobicContact CD1-CG 3.99Å; I464-Y570 HydrophobicContact CG2-CD1 3.94Å; I464-Y570 HydrophobicContact CG2-CD2 3.92Å; I464-Y570 HydrophobicContact CG2-CE1 4Å; I464-Y570 HydrophobicContact CG2-CE2 3.93Å; I464-Y570 HydrophobicContact CG2-CG 3.93Å; F567-Y570 HydrophobicContact CB-CD2 4.28Å; F567-Y570 HydrophobicContact CD1-CD2 4.15Å; F567-Y570 HydrophobicContact CD1-CE2 4.33Å; F567-Y570 WeakPolarHBondContact O-CB 3.42Å; F567-Y570 PolarHBondContact O-N 3.47Å; R568-Y570 PolarHBondContact O-N 3.35Å; Y570-K572 VanDerWaalsContact C-N 3.32Å; Y570-K572 PolarHBondContact O-N 3.22Å; Y570-F573 HydrophobicContact CD1-CB 4.47Å; Y570-F573 HydrophobicContact CD1-CD1 4.48Å; Y570-F573 WeakPolarHBondContact O-CB 3.27Å; Y570-F573 PolarHBondContact O-N 2.73Å; Y570-F573 VanDerWaalsContact O-N 3.1Å; Y570-F574 PolarHBondContact O-N 3.11Å
571T90.4Very high91.5Very high0 Ų017 Ų170%08%0.081CC..Hα-helixtrans-58.6-42.2-178.7-56.40000112.4F561 L563 R568 H569 F573 F574 L575 A611 Y614F561-T571 HydrophobicContact CE1-CG2 4.08Å; F561-T571 HydrophobicContact CZ-CG2 3.9Å; L563-T571 WeakPolarHBondContact CD2-OG1 3.47Å; R568-T571 WeakPolarHBondContact O-CB 3.21Å; R568-T571 PolarHBondContact O-N 3.21Å; R568-T571 PolarHBondContact O-OG1 3.35Å; H569-T571 VanDerWaalsContact C-N 3.28Å; H569-T571 PolarHBondContact O-N 3.24Å; T571-F573 VanDerWaalsContact C-N 3.32Å; T571-F573 PolarHBondContact O-N 2.93Å; T571-F574 PolarHBondContact O-N 3.49Å; T571-L575 HydrophobicContact CG2-CD1 4.3Å; T571-L575 WeakPolarHBondContact O-CG 3.35Å; T571-L575 PolarHBondContact O-N 3.38Å; T571-A611 HydrophobicContact CG2-CB 3.83Å; T571-Y614 HydrophobicContact CG2-CD2 3.32Å; T571-Y614 HydrophobicContact CG2-CE2 3.58Å; T571-Y614 HydrophobicContact CG2-CG 4.15Å
572K90.7Very high91.6Very high67 Ų6717 Ų1729%0.2918%0.082SC..Hα-helixtrans-61.1-42.5176.7-70.5-175.8177.5-166.60111.6Y570 L575 K576 Y614 T657 E659Y570-K572 VanDerWaalsContact C-N 3.32Å; Y570-K572 PolarHBondContact O-N 3.22Å; K572-L575 PolarHBondContact O-N 2.96Å; K572-K576 WeakPolarHBondContact O-CB 3.37Å; K572-K576 PolarHBondContact O-N 2.93Å; K572-Y614 HydrophobicContact CD-CD1 4.32Å; K572-Y614 HydrophobicContact CD-CE1 4.4Å; K572-Y614 HydrophobicContact CG-CD1 3.73Å; K572-Y614 HydrophobicContact CG-CE1 3.97Å; K572-Y614 HydrophobicContact CG-CG 4.44Å; K572-T657 WeakPolarHBondContact CD-O 3.36Å; K572-E659 PolarHBondContact NZ-O 2.96Å
573F92.8Very high91.8Very high16 Ų1621.6 Ų21.67%0.0710%0.102CC..Hα-helixtrans-63-41.7174.7175.5-121.9000111.6P99 L100 I464 I466 Y570 T571 K576 E577P99-F573 VanDerWaalsContact C-CE2 3.46Å; P99-F573 HydrophobicContact CB-CE2 3.98Å; P99-F573 HydrophobicContact CB-CZ 4.2Å; L100-F573 VanDerWaalsContact CA-CE2 3.42Å; L100-F573 HydrophobicContact CB-CD1 4.45Å; L100-F573 HydrophobicContact CB-CD2 4.13Å; L100-F573 HydrophobicContact CB-CE1 4.07Å; L100-F573 HydrophobicContact CB-CE2 3.76Å; L100-F573 HydrophobicContact CB-CG 4.48Å; L100-F573 HydrophobicContact CB-CZ 3.73Å; L100-F573 HydrophobicContact CD1-CB 3.89Å; L100-F573 HydrophobicContact CD1-CD1 3.86Å; L100-F573 HydrophobicContact CD1-CD2 3.74Å; L100-F573 HydrophobicContact CD1-CE1 4.33Å; L100-F573 HydrophobicContact CD1-CE2 4.26Å; L100-F573 HydrophobicContact CD1-CG 3.53Å; L100-F573 VanDerWaalsContact N-CE2 3.32Å; I464-F573 HydrophobicContact CG2-CD1 3.92Å; I464-F573 HydrophobicContact CG2-CE1 3.82Å; I466-F573 HydrophobicContact CD1-CD1 3.6Å; I466-F573 HydrophobicContact CD1-CE1 3.48Å; I466-F573 VanDerWaalsContact CD1-CE1 3.48Å; I466-F573 HydrophobicContact CD1-CG 4.36Å; I466-F573 HydrophobicContact CD1-CZ 4.12Å; I466-F573 HydrophobicContact CG1-CE1 4.37Å; Y570-F573 HydrophobicContact CD1-CB 4.47Å; Y570-F573 HydrophobicContact CD1-CD1 4.48Å; Y570-F573 WeakPolarHBondContact O-CB 3.27Å; Y570-F573 PolarHBondContact O-N 2.73Å; Y570-F573 VanDerWaalsContact O-N 3.1Å; T571-F573 VanDerWaalsContact C-N 3.32Å; T571-F573 PolarHBondContact O-N 2.93Å; F573-K576 WeakPolarHBondContact O-CB 3.36Å; F573-K576 PolarHBondContact O-N 3.44Å; F573-E577 HydrophobicContact CD2-CG 3.96Å; F573-E577 HydrophobicContact CE1-CG 4.24Å; F573-E577 HydrophobicContact CE2-CG 3.38Å; F573-E577 HydrophobicContact CZ-CG 3.55Å; F573-E577 WeakPolarHBondContact O-CG 3.3Å; F573-E577 PolarHBondContact O-N 2.91Å
574F94.4Very high92Very high0 Ų021.8 Ų21.80%010%0.102CC..Hα-helixtrans-62.4-46.2177.1-161.4-178.1000112.3I466 F512 A514 A524 F561 L563 Y570 T571 K576 E577 I578I466-F574 HydrophobicContact CB-CD2 4.47Å; I466-F574 HydrophobicContact CD1-CB 3.99Å; I466-F574 HydrophobicContact CD1-CD2 3.71Å; I466-F574 HydrophobicContact CD1-CG 4.06Å; I466-F574 HydrophobicContact CG1-CD2 3.88Å; I466-F574 HydrophobicContact CG1-CE2 4.25Å; I466-F574 HydrophobicContact CG1-CG 4.44Å; I466-F574 HydrophobicContact CG2-CD2 3.74Å; I466-F574 HydrophobicContact CG2-CE2 3.64Å; F512-F574 HydrophobicContact CB-CE2 4.01Å; F512-F574 HydrophobicContact CB-CZ 4.43Å; A514-F574 HydrophobicContact CB-CD1 4.3Å; A514-F574 HydrophobicContact CB-CE1 3.99Å; A514-F574 HydrophobicContact CB-CZ 4.15Å; A524-F574 HydrophobicContact CB-CE1 4.49Å; A524-F574 HydrophobicContact CB-CE2 4.3Å; A524-F574 HydrophobicContact CB-CZ 3.94Å; F561-F574 HydrophobicContact CE1-CD1 4.48Å; F561-F574 HydrophobicContact CE2-CB 4.29Å; F561-F574 AromaticContact CE2-CD1 3.54Å; F561-F574 HydrophobicContact CE2-CD1 3.54Å; F561-F574 AromaticContact CE2-CE1 3.96Å; F561-F574 HydrophobicContact CE2-CE1 3.96Å; F561-F574 AromaticContact CE2-CG 3.91Å; F561-F574 HydrophobicContact CE2-CG 3.91Å; F561-F574 HydrophobicContact CZ-CB 4.2Å; F561-F574 AromaticContact CZ-CD1 3.47Å; F561-F574 HydrophobicContact CZ-CD1 3.47Å; F561-F574 VanDerWaalsContact CZ-CD1 3.47Å; F561-F574 HydrophobicContact CZ-CE1 4.12Å; F561-F574 HydrophobicContact CZ-CG 4.07Å; L563-F574 HydrophobicContact CD1-CD1 4.23Å; Y570-F574 PolarHBondContact O-N 3.11Å; T571-F574 PolarHBondContact O-N 3.49Å; F574-K576 PolarHBondContact O-N 3.29Å; F574-E577 PolarHBondContact O-N 3.33Å; F574-I578 HydrophobicContact CD2-CD1 3.82Å; F574-I578 HydrophobicContact CD2-CG1 3.92Å; F574-I578 HydrophobicContact CE2-CD1 3.92Å; F574-I578 HydrophobicContact CE2-CG1 3.96Å; F574-I578 HydrophobicContact CG-CD1 4.39Å; F574-I578 WeakPolarHBondContact O-CD1 3.4Å; F574-I578 VanDerWaalsContact O-CG1 3.23Å; F574-I578 WeakPolarHBondContact O-CG1 3.45Å; F574-I578 PolarHBondContact O-N 3.3Å
575L94.7Very high92.2Very high2 Ų220.1 Ų20.11%0.019%0.094CC..Hα-helixtrans-61.5-41.6175-67.2172.2000112.5M558 F561 T571 K572 I578 L579 L587 L615 T657M558-L575 HydrophobicContact SD-CD2 4.15Å; F561-L575 HydrophobicContact CD2-CD2 4.37Å; F561-L575 HydrophobicContact CE2-CD2 4.08Å; T571-L575 HydrophobicContact CG2-CD1 4.3Å; T571-L575 WeakPolarHBondContact O-CG 3.35Å; T571-L575 PolarHBondContact O-N 3.38Å; K572-L575 PolarHBondContact O-N 2.96Å; L575-I578 HydrophobicContact CD2-CD1 4.49Å; L575-I578 PolarHBondContact O-N 3.18Å; L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 2.85Å; L575-L579 VanDerWaalsContact O-N 3.16Å; L575-L587 HydrophobicContact CD2-CD1 4.4Å; L575-L615 HydrophobicContact CD1-CD2 4.29Å; L575-T657 HydrophobicContact CB-CG2 4.36Å
576K94.4Very high92.6Very high10 Ų1018 Ų184%0.0438%0.08CC..Hα-helixtrans-59.3-46175.1175.1-169.6160.9-1700111.5D72 P99 K572 F573 F574 L579 R580 T657D72-K576 WeakPolarHBondContact OD2-CE 3.37Å; D72-K576 WeakPolarHBondContact OD2-CG 3.21Å; P99-K576 PolarHBondContact O-NZ 3.17Å; K572-K576 WeakPolarHBondContact O-CB 3.37Å; K572-K576 PolarHBondContact O-N 2.93Å; F573-K576 WeakPolarHBondContact O-CB 3.36Å; F573-K576 PolarHBondContact O-N 3.44Å; F574-K576 PolarHBondContact O-N 3.29Å; K576-L579 WeakPolarHBondContact O-CB 3.44Å; K576-L579 PolarHBondContact O-N 2.86Å; K576-R580 PolarHBondContact O-N 3.28Å; K576-T657 HydrophobicContact CB-CG2 4.23Å
577E95.1Very high92.9Very high3 Ų316.4 Ų16.41%0.0147%0.071CC..Hα-helixtrans-69.4-35.6179.6-74.3-67.997.700113.1P99 I466 F573 F574 L579 R580 L581P99-E577 VanDerWaalsContact CB-CD 3.47Å; P99-E577 WeakPolarHBondContact CB-OE1 3.31Å; I466-E577 HydrophobicContact CB-CB 4.03Å; I466-E577 HydrophobicContact CB-CG 4.25Å; I466-E577 HydrophobicContact CD1-CB 3.81Å; I466-E577 HydrophobicContact CD1-CG 3.76Å; I466-E577 HydrophobicContact CG2-CB 3.8Å; F573-E577 HydrophobicContact CD2-CG 3.96Å; F573-E577 HydrophobicContact CE1-CG 4.24Å; F573-E577 HydrophobicContact CE2-CG 3.38Å; F573-E577 HydrophobicContact CZ-CG 3.55Å; F573-E577 WeakPolarHBondContact O-CG 3.3Å; F573-E577 PolarHBondContact O-N 2.91Å; F574-E577 PolarHBondContact O-N 3.33Å; E577-L579 VanDerWaalsContact C-N 3.27Å; E577-L579 PolarHBondContact O-N 3.17Å; E577-R580 PolarHBondContact O-N 2.97Å; E577-R580 IonicContact OE1-CZ 3.15Å; E577-R580 IonicContact OE1-NE 3.15Å; E577-R580 PolarHBondContact OE1-NE 3.29Å; E577-R580 IonicContact OE1-NH2 2.65Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E577-R580 IonicContact OE2-CZ 3.37Å; E577-R580 IonicContact OE2-NE 3.93Å; E577-R580 IonicContact OE2-NH2 3.1Å; E577-R580 PolarHBondContact OE2-NH2 2.76Å; E577-L581 VanDerWaalsContact O-CB 3.3Å; E577-L581 WeakPolarHBondContact O-CB 3.46Å; E577-L581 WeakPolarHBondContact O-CG 3.46Å; E577-L581 PolarHBondContact O-N 3.44Å
578I95.2Very high93.1Very high0 Ų015.9 Ų15.90%07%0.069CC..Hα-helixtrans-58.2-43.4172.3-69.2163000110.1F512 A524 I526 F561 F574 L575 G582 L587F512-I578 HydrophobicContact CD2-CG1 4.04Å; F512-I578 HydrophobicContact CD2-CG2 4.25Å; F512-I578 HydrophobicContact CE2-CG1 4.48Å; F512-I578 HydrophobicContact CE2-CG2 3.93Å; F512-I578 HydrophobicContact CG-CG1 4.21Å; F512-I578 HydrophobicContact CZ-CG2 4.45Å; A524-I578 HydrophobicContact CB-CD1 3.47Å; A524-I578 VanDerWaalsContact CB-CD1 3.47Å; A524-I578 HydrophobicContact CB-CG1 4.28Å; I526-I578 HydrophobicContact CD1-CG2 3.9Å; I526-I578 HydrophobicContact CG2-CG2 3.96Å; F561-I578 HydrophobicContact CD2-CD1 4.23Å; F561-I578 HydrophobicContact CE2-CD1 4.03Å; F574-I578 HydrophobicContact CD2-CD1 3.82Å; F574-I578 HydrophobicContact CD2-CG1 3.92Å; F574-I578 HydrophobicContact CE2-CD1 3.92Å; F574-I578 HydrophobicContact CE2-CG1 3.96Å; F574-I578 HydrophobicContact CG-CD1 4.39Å; F574-I578 WeakPolarHBondContact O-CD1 3.4Å; F574-I578 VanDerWaalsContact O-CG1 3.23Å; F574-I578 WeakPolarHBondContact O-CG1 3.45Å; F574-I578 PolarHBondContact O-N 3.3Å; L575-I578 HydrophobicContact CD2-CD1 4.49Å; L575-I578 PolarHBondContact O-N 3.18Å; I578-G582 WeakPolarHBondContact O-CA 3.41Å; I578-G582 PolarHBondContact O-N 3.41Å; I578-L587 HydrophobicContact CB-CD1 4.5Å; I578-L587 HydrophobicContact CG2-CD1 3.91Å; I578-L587 HydrophobicContact CG2-CD2 4.33Å
579L95.3Very high93.3Very high1 Ų113.7 Ų13.71%0.0056%0.061CC..Hα-helixtrans-64-46.2175.9-68.8168000111.9L575 K576 E577 F583 K584 L587 R654 T657L575-L579 WeakPolarHBondContact O-CG 3.44Å; L575-L579 PolarHBondContact O-N 2.85Å; L575-L579 VanDerWaalsContact O-N 3.16Å; K576-L579 WeakPolarHBondContact O-CB 3.44Å; K576-L579 PolarHBondContact O-N 2.86Å; E577-L579 VanDerWaalsContact C-N 3.27Å; E577-L579 PolarHBondContact O-N 3.17Å; L579-F583 PolarHBondContact O-N 3.16Å; L579-K584 CarbonylContact C-O 3.57Å; L579-K584 HydrophobicContact CD2-CB 3.87Å; L579-K584 PolarHBondContact O-N 3.45Å; L579-L587 HydrophobicContact CD2-CD1 4.09Å; L579-L587 HydrophobicContact CD2-CD2 4.44Å; L579-L587 HydrophobicContact CD2-CG 3.74Å; L579-L587 HydrophobicContact CG-CD1 4.2Å; L579-L587 HydrophobicContact CG-CG 4.4Å; L579-R654 HydrophobicContact CB-CG 4.4Å; L579-R654 HydrophobicContact CD1-CG 3.93Å; L579-T657 HydrophobicContact CD1-CG2 3.86Å
580R94.6Very high93.4Very high8 Ų812.7 Ų12.73%0.036%0.057CC..Hα-helixtrans-65.8-54.5-178.9-172.1-176.166.981.93.1112.3Q81 D82 K576 E577 F583Q81-R580 HydrophobicContact CB-CG 4.5Å; Q81-R580 PolarHBondContact NE2-O 2.92Å; Q81-R580 WeakPolarHBondContact O-CD 3.42Å; Q81-R580 WeakPolarHBondContact O-CG 3.43Å; Q81-R580 PolarHBondContact O-NH1 2.95Å; D82-R580 VanDerWaalsContact CA-NH1 3.28Å; D82-R580 PolarHBondContact O-NH1 2.65Å; K576-R580 PolarHBondContact O-N 3.28Å; E577-R580 PolarHBondContact O-N 2.97Å; E577-R580 IonicContact OE1-CZ 3.15Å; E577-R580 IonicContact OE1-NE 3.15Å; E577-R580 PolarHBondContact OE1-NE 3.29Å; E577-R580 IonicContact OE1-NH2 2.65Å; E577-R580 PolarHBondContact OE1-NH2 3.48Å; E577-R580 IonicContact OE2-CZ 3.37Å; E577-R580 IonicContact OE2-NE 3.93Å; E577-R580 IonicContact OE2-NH2 3.1Å; E577-R580 PolarHBondContact OE2-NH2 2.76Å; R580-F583 PolarHBondContact O-N 2.99Å
581L94.9Very high93.2Very high13 Ų1313 Ų137%0.0686%0.06CC..Hα-helixtrans-70.9-36.8-177.3-66.5174.2000112.1D82 I466 F468 F512 E577 F583D82-L581 HydrophobicContact CB-CD2 4.16Å; I466-L581 HydrophobicContact CG2-CD1 4.14Å; F468-L581 HydrophobicContact CE2-CB 4.33Å; F468-L581 HydrophobicContact CZ-CB 4.35Å; F468-L581 WeakPolarHBondContact CZ-O 3.48Å; F512-L581 HydrophobicContact CD1-CB 4.36Å; F512-L581 HydrophobicContact CD1-CD1 4.28Å; F512-L581 HydrophobicContact CE1-CB 3.69Å; F512-L581 HydrophobicContact CE1-CD1 4.43Å; E577-L581 VanDerWaalsContact O-CB 3.3Å; E577-L581 WeakPolarHBondContact O-CB 3.46Å; E577-L581 WeakPolarHBondContact O-CG 3.46Å; E577-L581 PolarHBondContact O-N 3.44Å; L581-F583 WeakPolarHBondContact O-CD2 3.44Å; L581-F583 PolarHBondContact O-N 3.24Å
582G92.9Very high92.7Very high2 Ų215.1 Ų15.12%0.0217%0.068CC..THydrogen-bonded Turntrans-76.3-3.7178.900000114.6I578 K584I578-G582 WeakPolarHBondContact O-CA 3.41Å; I578-G582 PolarHBondContact O-N 3.41Å; G582-K584 WeakPolarHBondContact O-CD 3.21Å; G582-K584 WeakPolarHBondContact O-CE 3.48Å; G582-K584 PolarHBondContact O-N 3.17Å
583F93.4Very high91.8Very high99 Ų9913.4 Ų13.443%0.4346%0.064SC..THydrogen-bonded Turntrans52.538-169.7-66.2-105000111.9Q81 D82 L579 R580 L581Q81-F583 HydrophobicContact CG-CD1 4.11Å; Q81-F583 HydrophobicContact CG-CE1 3.57Å; Q81-F583 HydrophobicContact CG-CZ 3.87Å; D82-F583 HydrophobicContact CB-CE2 3.89Å; D82-F583 HydrophobicContact CB-CZ 3.98Å; L579-F583 PolarHBondContact O-N 3.16Å; R580-F583 PolarHBondContact O-N 2.99Å; L581-F583 WeakPolarHBondContact O-CD2 3.44Å; L581-F583 PolarHBondContact O-N 3.24Å
584K94.4Very high90.4Very high12 Ų1222.5 Ų22.55%0.05210%0.103CC..  trans-102.8156.4177.8-54-50.3-177-1660110.8I526 N528 E553 E554 L579 G582I526-K584 HydrophobicContact CD1-CG 3.94Å; N528-K584 PolarHBondContact OD1-NZ 3.35Å; E553-K584 WeakPolarHBondContact O-CD 3.39Å; E553-K584 PolarHBondContact O-NZ 3.35Å; E554-K584 WeakPolarHBondContact O-CA 3.43Å; L579-K584 CarbonylContact C-O 3.57Å; L579-K584 HydrophobicContact CD2-CB 3.87Å; L579-K584 PolarHBondContact O-N 3.45Å; G582-K584 WeakPolarHBondContact O-CD 3.21Å; G582-K584 WeakPolarHBondContact O-CE 3.48Å; G582-K584 PolarHBondContact O-N 3.17Å
585S93.3Very high88.1Confident3 Ų326 Ų262%0.02113%0.128CC..SBendtrans-118.5-25.917364.10000112.3K50 H550 E554 N653K50-S585 PolarHBondContact NZ-OG 3.01Å; H550-S585 WeakPolarHBondContact ND1-CB 3.31Å; H550-S585 PolarHBondContact ND1-OG 3.27Å; E554-S585 VanDerWaalsContact CB-OG 3.27Å; E554-S585 WeakPolarHBondContact CB-OG 3.43Å; E554-S585 PolarHBondContact O-N 3.36Å; E554-S585 PolarHBondContact O-OG 3.43Å; S585-N653 WeakPolarHBondContact O-CA 3.27Å; S585-N653 VanDerWaalsContact O-CB 3.28Å; S585-N653 WeakPolarHBondContact O-CB 3.44Å
586C95.1Very high85.4Confident0 Ų032.9 Ų32.90%015%0.154CC..EExtended strand (participates in β ladder)trans-132.3139.4-178.5-61.50000109.8E554 G556 Y588E554-C586 PolarHBondContact O-N 2.65Å; G556-C586 PolarHBondContact N-O 2.92Å; C586-Y588 HydrophobicContact CB-CE2 3.81Å
587L95Very high82.5Confident1 Ų141 Ų411%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-118.8133.8168-65.2172.3000109.3I526 G556 L575 I578 L579 H651 T652I526-L587 HydrophobicContact CD1-CD2 4.37Å; I526-L587 HydrophobicContact CG2-CD2 4.28Å; G556-L587 CarbonylContact O-C 3.59Å; G556-L587 VanDerWaalsContact O-CA 3.3Å; G556-L587 WeakPolarHBondContact O-CA 3.36Å; L575-L587 HydrophobicContact CD2-CD1 4.4Å; I578-L587 HydrophobicContact CB-CD1 4.5Å; I578-L587 HydrophobicContact CG2-CD1 3.91Å; I578-L587 HydrophobicContact CG2-CD2 4.33Å; L579-L587 HydrophobicContact CD2-CD1 4.09Å; L579-L587 HydrophobicContact CD2-CD2 4.44Å; L579-L587 HydrophobicContact CD2-CG 3.74Å; L579-L587 HydrophobicContact CG-CD1 4.2Å; L579-L587 HydrophobicContact CG-CG 4.4Å; L587-H651 WeakPolarHBondContact O-CA 3.21Å; L587-H651 PolarHBondContact O-ND1 2.81Å; L587-H651 VanDerWaalsContact O-ND1 3.12Å; L587-T652 HydrophobicContact CB-CG2 3.87Å; L587-T652 HydrophobicContact CD1-CG2 4.16Å; L587-T652 HydrophobicContact CG-CG2 4.49Å; L587-T652 PolarHBondContact N-O 2.92Å; L587-T652 PolarHBondContact O-N 3.45Å
588Y94.5Very high79.6Confident1 Ų144.9 Ų44.90%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-114.4139177-59.6-75.3000109.7E529 I535 I541 I545 H555 G556 M558 C586 L649 H651E529-Y588 HydrophobicContact CB-CD2 4.24Å; E529-Y588 HydrophobicContact CG-CD2 4.06Å; I535-Y588 HydrophobicContact CD1-CD1 4.19Å; I535-Y588 HydrophobicContact CD1-CD2 4.35Å; I535-Y588 HydrophobicContact CD1-CG 4.02Å; I535-Y588 HydrophobicContact CG2-CD1 4.31Å; I535-Y588 HydrophobicContact CG2-CE1 4.05Å; I541-Y588 HydrophobicContact CD1-CD1 4.43Å; I541-Y588 HydrophobicContact CD1-CE1 3.68Å; I541-Y588 HydrophobicContact CG1-CE1 3.87Å; I545-Y588 WeakPolarHBondContact CD1-OH 3.41Å; H555-Y588 HydrophobicContact CB-CE2 3.83Å; H555-Y588 PolarHBondContact CE1-OH 3.2Å; H555-Y588 AromaticContact CG-CE2 3.97Å; H555-Y588 AromaticContact ND1-CE2 3.37Å; H555-Y588 WeakPolarHBondContact ND1-CE2 3.49Å; H555-Y588 AromaticContact ND1-CZ 3.57Å; H555-Y588 PolarHBondContact ND1-OH 3.45Å; G556-Y588 WeakPolarHBondContact O-CD2 3.47Å; G556-Y588 PolarHBondContact O-N 3.19Å; M558-Y588 PolarHBondContact N-O 3.2Å; C586-Y588 HydrophobicContact CB-CE2 3.81Å; Y588-L649 HydrophobicContact CD1-CD1 4.17Å; Y588-L649 HydrophobicContact CD1-CD2 4.3Å; Y588-H651 AromaticContact CD1-ND1 3.87Å; Y588-H651 AromaticContact CE1-ND1 3.6Å
589Y91.4Very high76.4Confident13 Ų1353.9 Ų53.95%0.05127%0.272CS..EExtended strand (participates in β ladder)trans-134.194.1179.5-178.7-105.3000109.6M558 V591 H606 L608 L612 L615 N650M558-Y589 HydrophobicContact CB-CD2 4.46Å; M558-Y589 HydrophobicContact CE-CD2 4.07Å; M558-Y589 HydrophobicContact CE-CG 4.15Å; M558-Y589 VanDerWaalsContact O-CD2 3.32Å; M558-Y589 WeakPolarHBondContact O-CD2 3.23Å; Y589-V591 HydrophobicContact CD1-CG2 3.72Å; Y589-V591 HydrophobicContact CE1-CG2 3.33Å; Y589-H606 HydrophobicContact CE2-CB 3.51Å; Y589-H606 WeakPolarHBondContact OH-CB 3.45Å; Y589-L608 HydrophobicContact CD2-CD1 3.9Å; Y589-L608 HydrophobicContact CE1-CB 3.95Å; Y589-L608 HydrophobicContact CE1-CD2 4.23Å; Y589-L608 HydrophobicContact CE2-CB 3.64Å; Y589-L608 HydrophobicContact CE2-CD1 3.73Å; Y589-L608 HydrophobicContact CE2-CG 4.23Å; Y589-L608 HydrophobicContact CG-CD1 4.44Å; Y589-L608 WeakPolarHBondContact OH-CB 3.42Å; Y589-L612 HydrophobicContact CD1-CD1 4.13Å; Y589-L612 HydrophobicContact CE1-CD1 4.24Å; Y589-L615 HydrophobicContact CD1-CD1 4.17Å; Y589-L615 HydrophobicContact CG-CD1 4.13Å; Y589-N650 HydrophobicContact CD1-CB 4.28Å; Y589-N650 PolarHBondContact N-O 2.92Å; Y589-N650 PolarHBondContact O-N 3.42Å; Y589-N650 PolarHBondContact O-ND2 3.2Å
590P89.6Confident73.4Confident2 Ų262.9 Ų62.91%0.01331%0.312CS..EExtended strand (participates in β ladder)trans-71.8144.3173.825.6-25.5000110.7H557 Y592 H606 Y647 A648H557-P590 WeakPolarHBondContact CE1-CG 3.18Å; P590-Y592 HydrophobicContact CB-CE2 3.91Å; P590-Y592 HydrophobicContact CG-CE2 4.11Å; P590-H606 PolarHBondContact O-CD2 3.31Å; P590-H606 PolarHBondContact O-NE2 2.66Å; P590-Y647 HydrophobicContact CB-CD2 3.42Å; P590-Y647 VanDerWaalsContact CB-CD2 3.42Å; P590-Y647 HydrophobicContact CB-CE2 3.73Å; P590-Y647 HydrophobicContact CB-CG 3.93Å; P590-A648 CarbonylContact C-O 3.54Å; P590-A648 VanDerWaalsContact CA-O 3.31Å; P590-A648 WeakPolarHBondContact CA-O 3.41Å
591V84.7Confident70.6Confident21 Ų2169 Ų6913%0.12734%0.341CS..EExtended strand (participates in β ladder)trans-123.7105.3175.6177.80000107.5Y589 Y647 A648 N650Y589-V591 HydrophobicContact CD1-CG2 3.72Å; Y589-V591 HydrophobicContact CE1-CG2 3.33Å; V591-Y647 CarbonylContact O-C 3.59Å; V591-Y647 WeakPolarHBondContact O-CA 3.37Å; V591-A648 HydrophobicContact CB-CB 4.36Å; V591-A648 PolarHBondContact N-O 3.1Å; V591-A648 PolarHBondContact O-N 3.15Å; V591-N650 VanDerWaalsContact CG2-ND2 3.35Å; V591-N650 WeakPolarHBondContact CG2-ND2 3.38Å
592Y80.4Confident67.9Low44 Ų4469.8 Ų69.817%0.17335%0.345CS..PPolyproline II helixtrans-81.1144.6177.6-67.7-85.1000111P590 K594 Y604 H606 M645 Y647P590-Y592 HydrophobicContact CB-CE2 3.91Å; P590-Y592 HydrophobicContact CG-CE2 4.11Å; Y592-K594 PolarHBondContact O-N 2.85Å; Y592-Y604 HydrophobicContact CE2-CG 4.12Å; Y592-H606 AromaticContact CD2-CD2 3.96Å; Y592-H606 AromaticContact CD2-NE2 3.66Å; Y592-H606 AromaticContact CE2-NE2 3.49Å; Y592-H606 WeakPolarHBondContact CE2-NE2 2.83Å; Y592-M645 HydrophobicContact CD1-CE 3.45Å; Y592-M645 VanDerWaalsContact CD1-CE 3.45Å; Y592-M645 HydrophobicContact CD1-CG 4.18Å; Y592-M645 HydrophobicContact CD1-SD 4.43Å; Y592-M645 HydrophobicContact CE1-CE 4.39Å; Y592-M645 HydrophobicContact CG-CE 3.92Å; Y592-Y647 HydrophobicContact CD1-CD1 4.34Å; Y592-Y647 HydrophobicContact CD1-CG 4.38Å; Y592-Y647 AromaticContact CE1-CD1 3.52Å; Y592-Y647 HydrophobicContact CE1-CD1 3.52Å; Y592-Y647 HydrophobicContact CE1-CE1 4.46Å; Y592-Y647 AromaticContact CE1-CG 3.92Å; Y592-Y647 HydrophobicContact CE1-CG 3.92Å; Y592-Y647 AromaticContact CZ-CD1 3.74Å
593P72.4Confident65.3Low31 Ų3174.8 Ų74.820%0.20138%0.377CS..PPolyproline II helixtrans-55.4138.3169.9-22.432.2000110.7S595 S646 A729P593-S595 PolarHBondContact O-N 3.05Å; P593-S595 VanDerWaalsContact O-N 3.17Å; P593-S646 WeakPolarHBondContact CD-O 2.96Å; P593-A729 HydrophobicContact CG-CB 3.45Å; P593-A729 VanDerWaalsContact CG-CB 3.45Å
594K61.9Low62.9Low206 Ų20676.1 Ų76.190%0.89638%0.38SS*.PPolyproline II helixtrans-63.9117.2176-67.5-177.1179.6179.20109.1Y592Y592-K594 PolarHBondContact O-N 2.85Å
595S46.2Very low60.5Low75 Ų7576.6 Ų76.652%0.52439%0.387SS..PPolyproline II helixtrans-60.6150.2177-570000111.9P593P593-S595 PolarHBondContact O-N 3.05Å; P593-S595 VanDerWaalsContact O-N 3.17Å
596R38.9Very low58.6Low145 Ų14577.6 Ų77.655%0.54739%0.391SS..SBendtrans-55.8136.9170.4-75.8-175.9-178-174.46.8111.1L708R596-L708 PolarHBondContact NH2-O 3.16Å; R596-L708 VanDerWaalsContact NH2-O 3.07Å
597E34.2Very low56.8Low180 Ų18078 Ų7884%0.84139%0.394SS*.SBendtrans40.895.5155.7-67.6176.7174.400117.6K599E597-K599 PolarHBondContact O-N 3.48Å
598G34.3Very low55Low86 Ų8679 Ų7989%0.88740%0.399SS*.SBend68-3.2122.100000121.8
599K27.9Very low53.3Low189 Ų18983.3 Ų83.382%0.82243%0.425SS*.SBendtrans-130.3-4.6-179.9-74.3-170.9179.3178.60117.8E597E597-K599 PolarHBondContact O-N 3.48Å
600F31.6Very low52.1Low189 Ų18983.9 Ų83.983%0.82943%0.431SS*.  trans-136.2115165.5-73.5-85.3000108.4N602F600-N602 PolarHBondContact O-N 2.87Å; F600-N602 VanDerWaalsContact O-N 3.15Å
601Q35.3Very low51.5Low137 Ų13783.8 Ų83.864%0.6443%0.431SS*.  trans-56.1120.2156.2-79.3175.2-15.600105.4P603Q601-P603 WeakPolarHBondContact O-CD 3.37Å; Q601-P603 VanDerWaalsContact O-N 3.13Å
602N38.7Very low51.5Low29 Ų2983.8 Ų83.816%0.15543%0.43CS..  trans-52.5123.5173.9180-3.3000107F600 Y604 A605F600-N602 PolarHBondContact O-N 2.87Å; F600-N602 VanDerWaalsContact O-N 3.15Å; N602-Y604 PolarHBondContact O-N 3.17Å; N602-Y604 WeakPolarHBondContact OD1-CB 3.44Å; N602-Y604 WeakPolarHBondContact OD1-CD2 3.36Å; N602-Y604 PolarHBondContact OD1-N 2.88Å; N602-A605 HydrophobicContact CB-CB 4.32Å; N602-A605 WeakPolarHBondContact O-CB 3.39Å; N602-A605 PolarHBondContact O-N 3.21Å
603P38.7Very low51.5Low107 Ų10784.9 Ų84.970%0.69544%0.437SS*.THydrogen-bonded Turntrans-59.7-13.6176.821.7-31.5000112.8Q601Q601-P603 WeakPolarHBondContact O-CD 3.37Å; Q601-P603 VanDerWaalsContact O-N 3.13Å
604Y43.1Very low52.1Low127 Ų12785.9 Ų85.950%0.49844%0.436SS..THydrogen-bonded Turntrans-103.523.5172.4-49.8-77000113.2Y592 N602 H606Y592-Y604 HydrophobicContact CE2-CG 4.12Å; N602-Y604 PolarHBondContact O-N 3.17Å; N602-Y604 WeakPolarHBondContact OD1-CB 3.44Å; N602-Y604 WeakPolarHBondContact OD1-CD2 3.36Å; N602-Y604 PolarHBondContact OD1-N 2.88Å; Y604-H606 PolarHBondContact O-CD2 3.47Å; Y604-H606 PolarHBondContact O-N 3.32Å; Y604-H606 PolarHBondContact O-NE2 3.13Å
605A43.2Very low53.5Low23 Ų2376.1 Ų76.119%0.1939%0.394CS..  trans-71111.6176.700000110.2L486 N602L486-A605 HydrophobicContact CD1-CB 3.82Å; L486-A605 HydrophobicContact CD2-CB 3.87Å; N602-A605 HydrophobicContact CB-CB 4.32Å; N602-A605 WeakPolarHBondContact O-CB 3.39Å; N602-A605 PolarHBondContact O-N 3.21Å
606H54.2Low55.7Low24 Ų2472.7 Ų72.711%0.11137%0.37CS..  trans-93.9136.7-179.8-57.3-65000111.8H557 H559 Y589 P590 Y592 Y604H557-H606 AromaticContact NE2-CE1 3.35Å; H557-H606 PolarHBondContact NE2-CE1 3.11Å; H559-H606 AromaticContact CD2-CE1 3.55Å; H559-H606 AromaticContact CD2-ND1 3.47Å; H559-H606 PolarHBondContact CD2-ND1 2.9Å; H559-H606 AromaticContact CG-ND1 3.93Å; H559-H606 AromaticContact NE2-CE1 3.9Å; H559-H606 AromaticContact NE2-ND1 3.82Å; Y589-H606 HydrophobicContact CE2-CB 3.51Å; Y589-H606 WeakPolarHBondContact OH-CB 3.45Å; P590-H606 PolarHBondContact O-CD2 3.31Å; P590-H606 PolarHBondContact O-NE2 2.66Å; Y592-H606 AromaticContact CD2-CD2 3.96Å; Y592-H606 AromaticContact CD2-NE2 3.66Å; Y592-H606 AromaticContact CE2-NE2 3.49Å; Y592-H606 WeakPolarHBondContact CE2-NE2 2.83Å; Y604-H606 PolarHBondContact O-CD2 3.47Å; Y604-H606 PolarHBondContact O-N 3.32Å; Y604-H606 PolarHBondContact O-NE2 3.13Å
607S56.8Low58.3Low8 Ų866.2 Ų66.26%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-100.194.9174.7580000109.5I490 H560 F561I490-S607 VanDerWaalsContact CD1-OG 3.31Å; I490-S607 WeakPolarHBondContact CD1-OG 3.4Å; I490-S607 VanDerWaalsContact CG1-OG 3.29Å; I490-S607 WeakPolarHBondContact CG1-OG 3.28Å; H560-S607 PolarHBondContact ND1-OG 3.24Å; F561-S607 PolarHBondContact N-O 3.33Å
608L56.8Low61.1Low21 Ų2157.7 Ų57.711%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-134.188.5171.1-153.6122.4000109.7M558 F561 Y589 A611 L612 L615M558-L608 HydrophobicContact CE-CD1 3.4Å; M558-L608 HydrophobicContact CG-CD1 4.3Å; M558-L608 HydrophobicContact SD-CD1 3.83Å; F561-L608 HydrophobicContact CB-CD1 3.38Å; F561-L608 HydrophobicContact CB-CG 4.01Å; F561-L608 HydrophobicContact CG-CD1 4.29Å; Y589-L608 HydrophobicContact CD2-CD1 3.9Å; Y589-L608 HydrophobicContact CE1-CB 3.95Å; Y589-L608 HydrophobicContact CE1-CD2 4.23Å; Y589-L608 HydrophobicContact CE2-CB 3.64Å; Y589-L608 HydrophobicContact CE2-CD1 3.73Å; Y589-L608 HydrophobicContact CE2-CG 4.23Å; Y589-L608 HydrophobicContact CG-CD1 4.44Å; Y589-L608 WeakPolarHBondContact OH-CB 3.42Å; L608-A611 HydrophobicContact CD1-CB 4.37Å; L608-A611 HydrophobicContact CD2-CB 3.93Å; L608-A611 HydrophobicContact CG-CB 4.26Å; L608-L612 HydrophobicContact CD2-CB 3.67Å; L608-L612 HydrophobicContact CD2-CD1 4.41Å; L608-L615 HydrophobicContact CD2-CD1 4.47Å
609T58.3Low64Low92 Ų9257.9 Ų57.956%0.56428%0.281SS*.SBendtrans-88.3-16.6176.542.50000112.7
610S65.9Low67.1Low25 Ų2550.1 Ų50.118%0.17525%0.25CC..SBendtrans-124.5-26.7-165.5-56.40000117.4
611A78.9Confident69.9Low0 Ų042 Ų420%021%0.214CC..SBendtrans-99.6-8.9-172.600000115.6F561 T571 L608 H613 Y614F561-A611 HydrophobicContact CD1-CB 3.5Å; F561-A611 VanDerWaalsContact CD1-CB 3.5Å; F561-A611 HydrophobicContact CD2-CB 4.42Å; F561-A611 HydrophobicContact CE1-CB 3.6Å; F561-A611 HydrophobicContact CE2-CB 4.49Å; F561-A611 HydrophobicContact CG-CB 3.95Å; F561-A611 HydrophobicContact CZ-CB 4.11Å; T571-A611 HydrophobicContact CG2-CB 3.83Å; L608-A611 HydrophobicContact CD1-CB 4.37Å; L608-A611 HydrophobicContact CD2-CB 3.93Å; L608-A611 HydrophobicContact CG-CB 4.26Å; A611-H613 VanDerWaalsContact C-N 3.27Å; A611-H613 PolarHBondContact O-N 3.38Å; A611-H613 VanDerWaalsContact O-N 3.17Å; A611-Y614 WeakPolarHBondContact O-CB 3.45Å; A611-Y614 PolarHBondContact O-N 2.94Å
612L83.1Confident72.5Confident22 Ų2238.6 Ų38.612%0.11520%0.195CC..G310 helixtrans-58.7-40.2-166.8-174.260.9000112.1Y589 L608 Y614 L615 N650 W736Y589-L612 HydrophobicContact CD1-CD1 4.13Å; Y589-L612 HydrophobicContact CE1-CD1 4.24Å; L608-L612 HydrophobicContact CD2-CB 3.67Å; L608-L612 HydrophobicContact CD2-CD1 4.41Å; L612-Y614 PolarHBondContact O-N 2.91Å; L612-Y614 VanDerWaalsContact O-N 3.11Å; L612-L615 HydrophobicContact CD1-CD1 4.28Å; L612-L615 WeakPolarHBondContact O-CB 3.06Å; L612-L615 PolarHBondContact O-N 2.61Å; L612-N650 HydrophobicContact CD1-CB 4.23Å; L612-W736 HydrophobicContact CD1-CH2 4.25Å; L612-W736 HydrophobicContact CD1-CZ2 4.07Å; L612-W736 HydrophobicContact CD2-CZ2 4.45Å; L612-W736 HydrophobicContact CG-CH2 3.89Å; L612-W736 HydrophobicContact CG-CZ2 4.01Å; L612-W736 HydrophobicContact CG-CZ3 4.42Å; L612-W736 WeakPolarHBondContact O-CH2 3.4Å
613H80.4Confident74.9Confident67 Ų6739.5 Ų39.531%0.3120%0.198SC..G310 helixtrans-61.9-20.2179.1-59.7-72.3000114.3A611 K661A611-H613 VanDerWaalsContact C-N 3.27Å; A611-H613 PolarHBondContact O-N 3.38Å; A611-H613 VanDerWaalsContact O-N 3.17Å; H613-K661 PolarHBondContact O-NZ 3.34Å
614Y85.4Confident77.4Confident51 Ų5135 Ų3520%0.217%0.168CC..G310 helixtrans-91.6-10.3176.2-60.3-74.6000113.2R568 T571 K572 A611 L612R568-Y614 PolarHBondContact O-OH 3.41Å; T571-Y614 HydrophobicContact CG2-CD2 3.32Å; T571-Y614 HydrophobicContact CG2-CE2 3.58Å; T571-Y614 HydrophobicContact CG2-CG 4.15Å; K572-Y614 HydrophobicContact CD-CD1 4.32Å; K572-Y614 HydrophobicContact CD-CE1 4.4Å; K572-Y614 HydrophobicContact CG-CD1 3.73Å; K572-Y614 HydrophobicContact CG-CE1 3.97Å; K572-Y614 HydrophobicContact CG-CG 4.44Å; A611-Y614 WeakPolarHBondContact O-CB 3.45Å; A611-Y614 PolarHBondContact O-N 2.94Å; L612-Y614 PolarHBondContact O-N 2.91Å; L612-Y614 VanDerWaalsContact O-N 3.11Å
615L90.7Very high79.7Confident2 Ų232.5 Ų32.51%0.0117%0.166CC..SBendtrans-87.4163.7170.9-50.3-177.8000110.2M558 L575 Y589 L608 L612 N650 H651 T652 K661M558-L615 HydrophobicContact CE-CD1 3.63Å; M558-L615 HydrophobicContact CE-CD2 4.15Å; M558-L615 HydrophobicContact CE-CG 4.46Å; L575-L615 HydrophobicContact CD1-CD2 4.29Å; Y589-L615 HydrophobicContact CD1-CD1 4.17Å; Y589-L615 HydrophobicContact CG-CD1 4.13Å; L608-L615 HydrophobicContact CD2-CD1 4.47Å; L612-L615 HydrophobicContact CD1-CD1 4.28Å; L612-L615 WeakPolarHBondContact O-CB 3.06Å; L612-L615 PolarHBondContact O-N 2.61Å; L615-N650 HydrophobicContact CB-CB 4Å; L615-N650 HydrophobicContact CD1-CB 3.88Å; L615-H651 WeakPolarHBondContact CA-O 3.37Å; L615-T652 HydrophobicContact CD2-CG2 3.44Å; L615-T652 VanDerWaalsContact CD2-CG2 3.44Å; L615-K661 PolarHBondContact O-NZ 3.16Å
616V92.6Very high82Confident2 Ų232.6 Ų32.61%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-107.2130.9171.7-62.70000109.7F544 N650 H651 L656F544-V616 HydrophobicContact CD1-CG2 3.81Å; F544-V616 HydrophobicContact CD2-CG2 4.31Å; F544-V616 HydrophobicContact CE1-CB 4.03Å; F544-V616 HydrophobicContact CE1-CG1 4.38Å; F544-V616 HydrophobicContact CE1-CG2 3.53Å; F544-V616 HydrophobicContact CE2-CG2 4.05Å; F544-V616 HydrophobicContact CG-CG2 4.19Å; F544-V616 HydrophobicContact CZ-CB 4.07Å; F544-V616 HydrophobicContact CZ-CG2 3.65Å; V616-N650 CarbonylContact O-C 3.58Å; V616-N650 WeakPolarHBondContact O-CA 3.25Å; V616-H651 HydrophobicContact CG2-CB 4.18Å; V616-H651 WeakPolarHBondContact CG2-O 3.49Å; V616-H651 PolarHBondContact N-O 3.48Å; V616-H651 PolarHBondContact O-N 2.9Å; V616-L656 HydrophobicContact CG1-CD1 4.31Å; V616-L656 HydrophobicContact CG1-CD2 4.17Å; V616-L656 HydrophobicContact CG2-CD1 3.75Å
617P93.4Very high83.8Confident10 Ų1032.8 Ų32.87%0.06517%0.165CC..EExtended strand (participates in β ladder)trans-69.3134.5170.929-32.2000109.4N650 V685 F686 W736P617-N650 WeakPolarHBondContact CA-OD1 3.33Å; P617-V685 HydrophobicContact CG-CG1 4.25Å; P617-V685 VanDerWaalsContact CG-O 3.24Å; P617-V685 WeakPolarHBondContact CG-O 3.49Å; P617-F686 HydrophobicContact CB-CD1 4.05Å; P617-F686 HydrophobicContact CB-CE1 3.9Å; P617-F686 HydrophobicContact CG-CD1 4.2Å; P617-W736 HydrophobicContact CB-CZ2 3.97Å; P617-W736 HydrophobicContact CG-CZ2 4Å
618V94.9Very high85.5Confident1 Ų136.1 Ų36.11%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-101.9122.5-178.2-169.70000109.1I541 F544 L649 H651I541-V618 HydrophobicContact CB-CG1 4.15Å; I541-V618 HydrophobicContact CD1-CG1 4.31Å; I541-V618 HydrophobicContact CD1-CG2 3.95Å; F544-V618 HydrophobicContact CD2-CG1 4.41Å; F544-V618 HydrophobicContact CD2-CG2 4.23Å; F544-V618 HydrophobicContact CE2-CB 4.41Å; F544-V618 HydrophobicContact CE2-CG1 4.17Å; F544-V618 HydrophobicContact CE2-CG2 4.04Å; V618-L649 HydrophobicContact CB-CB 4.37Å; V618-L649 HydrophobicContact CB-CD2 4.25Å; V618-L649 HydrophobicContact CB-CG 4.35Å; V618-L649 HydrophobicContact CG2-CD2 4.3Å; V618-L649 HydrophobicContact CG2-CG 4.25Å; V618-L649 PolarHBondContact N-O 3.41Å; V618-H651 HydrophobicContact CG2-CB 3.51Å
619R94.2Very high87Confident90 Ų9044.3 Ų44.334%0.3422%0.22SC..PPolyproline II helixtrans-64.3132.5-177.2-172.1174.4-75-162.3-2.6110.9N540 F686N540-R619 HydrophobicContact CB-CB 4.45Å; N540-R619 PolarHBondContact N-O 3.21Å; R619-F686 VanDerWaalsContact CA-CE1 3.47Å; R619-F686 HydrophobicContact CB-CD1 3.96Å; R619-F686 HydrophobicContact CB-CE1 4.08Å; R619-F686 HydrophobicContact CB-CG 4.35Å
620P93Very high88.4Confident25 Ų2546.6 Ų46.616%0.16222%0.222CC..BIsolated β-bridgetrans-67.6146.517428.3-35.7000111.5H538 Y539 L730H538-P620 CarbonylContact O-C 3.54Å; H538-P620 WeakPolarHBondContact O-CA 3.43Å; Y539-P620 HydrophobicContact CD1-CB 4.35Å; Y539-P620 HydrophobicContact CE1-CB 4.33Å; P620-L730 HydrophobicContact CB-CB 3.94Å; P620-L730 HydrophobicContact CB-CD1 3.93Å; P620-L730 HydrophobicContact CB-CG 4.36Å; P620-L730 HydrophobicContact CG-CB 3.87Å; P620-L730 HydrophobicContact CG-CD1 4.43Å
621R90.4Very high89.6Confident19 Ų1945.8 Ų45.87%0.07222%0.215CC..PPolyproline II helixtrans-87.5140.3173.8-74.2-179.4-176.3-77.5-5.7110.5S537 H538 Y539 N540 E542 Q623 D1154S537-R621 WeakPolarHBondContact O-CD 3.39Å; H538-R621 PolarHBondContact O-N 3.46Å; Y539-R621 PolarHBondContact O-NE 3.25Å; N540-R621 WeakPolarHBondContact OD1-CG 3.35Å; N540-R621 PolarHBondContact OD1-NE 3.21Å; N540-R621 PolarHBondContact OD1-NH1 2.99Å; N540-R621 PolarHBondContact OD1-NH2 2.82Å; E542-R621 IonicContact OE2-CZ 3.64Å; E542-R621 IonicContact OE2-NH2 3.67Å; E542-R621 PolarHBondContact OE2-NH2 2.87Å; R621-Q623 PolarHBondContact O-N 3.33Å; R621-Q623 PolarHBondContact O-NE2 3.32Å; R621-D1154 WeakPolarHBondContact CG-OD2 3.26Å; R621-D1154 IonicContact CZ-OD2 3.78Å; R621-D1154 IonicContact NH1-OD1 3.59Å; R621-D1154 IonicContact NH1-OD2 3.1Å; R621-D1154 PolarHBondContact NH1-OD2 3.42Å
622R89Confident90.1Very high66 Ų6648 Ų4825%0.24924%0.238CC..PPolyproline II helixtrans-66.7122.1166.7-177.6-1776389.34.8109.2F1152 H1153 D1154R622-F1152 PolarHBondContact NH1-O 3.05Å; R622-F1152 PolarHBondContact NH2-O 2.82Å; R622-H1153 VanDerWaalsContact NH2-C 3.25Å; R622-H1153 PolarHBondContact NH2-O 2.84Å; R622-H1153 VanDerWaalsContact NH2-O 3.1Å; R622-D1154 HydrophobicContact CB-CB 4.49Å
623Q89.1Confident90.3Very high48 Ų4855 Ų5522%0.22427%0.274CS..PPolyproline II helixtrans-86.1147.9176.6-61.6-51.6-56.700112.4S537 R621S537-Q623 PolarHBondContact O-NE2 3.45Å; R621-Q623 PolarHBondContact O-N 3.33Å; R621-Q623 PolarHBondContact O-NE2 3.32Å
624I91.8Very high90.7Very high11 Ų1155.5 Ų55.56%0.05628%0.279CS..PPolyproline II helixtrans-78.4134.5168.3-61.8166000108.1Y626 L1149 F1152 H1153 L1228I624-Y626 HydrophobicContact CB-CD1 4.49Å; I624-Y626 HydrophobicContact CB-CD2 4.23Å; I624-Y626 HydrophobicContact CB-CE1 4.1Å; I624-Y626 HydrophobicContact CB-CE2 3.81Å; I624-Y626 HydrophobicContact CD1-CE1 4.14Å; I624-Y626 HydrophobicContact CG2-CD1 3.99Å; I624-Y626 HydrophobicContact CG2-CD2 4.32Å; I624-Y626 HydrophobicContact CG2-CE1 3.97Å; I624-Y626 HydrophobicContact CG2-CE2 4.3Å; I624-Y626 HydrophobicContact CG2-CG 4.19Å; I624-Y626 WeakPolarHBondContact O-CD2 3.35Å; I624-Y626 WeakPolarHBondContact O-CE2 3.49Å; I624-Y626 PolarHBondContact O-N 3.47Å; I624-L1149 WeakPolarHBondContact CD1-O 3.47Å; I624-L1149 HydrophobicContact CG2-CD2 4.02Å; I624-F1152 HydrophobicContact CG1-CB 4.1Å; I624-F1152 WeakPolarHBondContact CG1-O 3.19Å; I624-F1152 HydrophobicContact CG2-CB 4.28Å; I624-H1153 HydrophobicContact CD1-CB 4.02Å; I624-L1228 HydrophobicContact CD1-CD2 4.25Å
625V92.1Very high91Very high76 Ų7654.3 Ų54.346%0.46128%0.28SS..  trans-83.2105165.3-176.50000107.9P1109 N1112V625-P1109 HydrophobicContact CB-CB 3.61Å; V625-P1109 HydrophobicContact CG1-CB 3.86Å; V625-P1109 HydrophobicContact CG2-CB 4.07Å; V625-N1112 PolarHBondContact N-OD1 3.1Å; V625-N1112 PolarHBondContact O-ND2 3.38Å
626Y92Very high91Very high25 Ų2554.6 Ų54.610%0.09828%0.282CS..  trans-84136.1-175.4-65.6-85.3000111.8I624 L628 L631 P636 L1149 H1227 M1230I624-Y626 HydrophobicContact CB-CD1 4.49Å; I624-Y626 HydrophobicContact CB-CD2 4.23Å; I624-Y626 HydrophobicContact CB-CE1 4.1Å; I624-Y626 HydrophobicContact CB-CE2 3.81Å; I624-Y626 HydrophobicContact CD1-CE1 4.14Å; I624-Y626 HydrophobicContact CG2-CD1 3.99Å; I624-Y626 HydrophobicContact CG2-CD2 4.32Å; I624-Y626 HydrophobicContact CG2-CE1 3.97Å; I624-Y626 HydrophobicContact CG2-CE2 4.3Å; I624-Y626 HydrophobicContact CG2-CG 4.19Å; I624-Y626 WeakPolarHBondContact O-CD2 3.35Å; I624-Y626 WeakPolarHBondContact O-CE2 3.49Å; I624-Y626 PolarHBondContact O-N 3.47Å; Y626-L628 HydrophobicContact CG-CD2 4.47Å; Y626-L628 PolarHBondContact O-N 3.35Å; Y626-L631 HydrophobicContact CD1-CD1 4.09Å; Y626-P636 HydrophobicContact CD1-CG 3.8Å; Y626-P636 HydrophobicContact CD2-CG 3.78Å; Y626-P636 HydrophobicContact CE1-CG 3.79Å; Y626-P636 HydrophobicContact CE2-CG 3.78Å; Y626-P636 HydrophobicContact CG-CG 3.78Å; Y626-L1149 HydrophobicContact CD1-CD1 4.26Å; Y626-H1227 VanDerWaalsContact CE1-O 3.28Å; Y626-H1227 WeakPolarHBondContact CE1-O 3.5Å; Y626-H1227 PolarHBondContact OH-ND1 2.95Å; Y626-H1227 PolarHBondContact OH-O 3.46Å; Y626-M1230 HydrophobicContact CD1-CE 4.47Å; Y626-M1230 HydrophobicContact CE1-CE 4.33Å
627P91.9Very high90.9Very high28 Ų2857.6 Ų57.618%0.18230%0.303CS..  trans-7872.3167.532.7-33.1000109.8E629 K630 L631P627-E629 VanDerWaalsContact C-N 3.27Å; P627-E629 PolarHBondContact O-N 3.02Å; P627-K630 HydrophobicContact CB-CB 4.27Å; P627-K630 HydrophobicContact CB-CD 4.39Å; P627-K630 HydrophobicContact CB-CG 4.44Å; P627-K630 PolarHBondContact O-N 3.04Å; P627-L631 HydrophobicContact CG-CD1 4.38Å; P627-L631 HydrophobicContact CG-CG 4.31Å; P627-L631 WeakPolarHBondContact O-CG 3.2Å; P627-L631 PolarHBondContact O-N 2.72Å; P627-L631 VanDerWaalsContact O-N 3.08Å
628L90.8Very high90.5Very high78 Ų7866.1 Ų66.141%0.40834%0.339SS..Hα-helixtrans-53.5-41.1-169.9-63.7176.5000113.1Y626 L631 G632 A635 P636Y626-L628 HydrophobicContact CG-CD2 4.47Å; Y626-L628 PolarHBondContact O-N 3.35Å; L628-L631 PolarHBondContact O-N 2.7Å; L628-G632 PolarHBondContact O-N 2.92Å; L628-G632 VanDerWaalsContact O-N 3.08Å; L628-A635 HydrophobicContact CD2-CB 4.08Å; L628-P636 HydrophobicContact CD2-CG 4.31Å
629E88.4Confident89.9Confident193 Ų19367.6 Ų67.690%0.90235%0.351SS*.Hα-helixtrans-62.4-43.7178.3-64.4-179.7178.500112.7P627 L631P627-E629 VanDerWaalsContact C-N 3.27Å; P627-E629 PolarHBondContact O-N 3.02Å; E629-L631 VanDerWaalsContact C-N 3.34Å
630K88.9Confident89.4Confident140 Ų14063.6 Ų63.661%0.60934%0.337SS*.Hα-helixtrans-71-31.1179.2-64.1-171.6-177.9-176.50112.3P627 T1144P627-K630 HydrophobicContact CB-CB 4.27Å; P627-K630 HydrophobicContact CB-CD 4.39Å; P627-K630 HydrophobicContact CB-CG 4.44Å; P627-K630 PolarHBondContact O-N 3.04Å; K630-T1144 PolarHBondContact NZ-OG1 3.49Å
631L90.5Very high89Confident8 Ų864.2 Ų64.24%0.04234%0.342CS..Hα-helixtrans-76.3-31.7179.9-70.4172.1000112.4Y626 P627 L628 E629 I633 N634 A635 P1146 L1149 M1230Y626-L631 HydrophobicContact CD1-CD1 4.09Å; P627-L631 HydrophobicContact CG-CD1 4.38Å; P627-L631 HydrophobicContact CG-CG 4.31Å; P627-L631 WeakPolarHBondContact O-CG 3.2Å; P627-L631 PolarHBondContact O-N 2.72Å; P627-L631 VanDerWaalsContact O-N 3.08Å; L628-L631 PolarHBondContact O-N 2.7Å; E629-L631 VanDerWaalsContact C-N 3.34Å; L631-I633 PolarHBondContact O-N 3.12Å; L631-N634 WeakPolarHBondContact O-CA 3.27Å; L631-N634 WeakPolarHBondContact O-CB 3.36Å; L631-N634 PolarHBondContact O-N 2.9Å; L631-A635 HydrophobicContact CB-CB 3.9Å; L631-P1146 HydrophobicContact CD2-CB 4.25Å; L631-P1146 HydrophobicContact CD2-CG 4.11Å; L631-L1149 HydrophobicContact CD1-CD1 3.85Å; L631-L1149 HydrophobicContact CD2-CD1 3.92Å; L631-L1149 HydrophobicContact CG-CD1 4.44Å; L631-M1230 HydrophobicContact CD1-CE 3.93Å; L631-M1230 HydrophobicContact CD2-CB 4.08Å; L631-M1230 HydrophobicContact CD2-CE 4.06Å; L631-M1230 HydrophobicContact CD2-CG 4.33Å
632G89.9Confident88.4Confident47 Ų4767.2 Ų67.249%0.48536%0.355SS..G310 helixtrans53.9-121.7179.300000111.9L628 N634 A635L628-G632 PolarHBondContact O-N 2.92Å; L628-G632 VanDerWaalsContact O-N 3.08Å; G632-N634 PolarHBondContact O-N 3.37Å; G632-A635 VanDerWaalsContact O-CB 3.25Å; G632-A635 WeakPolarHBondContact O-CB 3.46Å; G632-A635 PolarHBondContact O-N 3.44Å; G632-A635 VanDerWaalsContact O-N 3.13Å
633I87.6Confident87.6Confident168 Ų16869.8 Ų69.886%0.86237%0.374SS*.G310 helixtrans-64.4-19.2178.163.4171.5000113.9L631 A635L631-I633 PolarHBondContact O-N 3.12Å; I633-A635 VanDerWaalsContact C-N 3.29Å
634N89Confident86.9Confident78 Ų7868.9 Ų68.942%0.41737%0.372SS..G310 helixtrans-919.7178.7-60.2-38000112.2L631 G632 P1229 M1230L631-N634 WeakPolarHBondContact O-CA 3.27Å; L631-N634 WeakPolarHBondContact O-CB 3.36Å; L631-N634 PolarHBondContact O-N 2.9Å; G632-N634 PolarHBondContact O-N 3.37Å; N634-P1229 WeakPolarHBondContact O-CG 3.34Å; N634-M1230 HydrophobicContact CB-CB 3.93Å
635A90.7Very high86.3Confident26 Ų2672.8 Ų72.822%0.21539%0.391CS..SBendtrans-74.1149.5174.900000111.1L628 L631 G632 I633L628-A635 HydrophobicContact CD2-CB 4.08Å; L631-A635 HydrophobicContact CB-CB 3.9Å; G632-A635 VanDerWaalsContact O-CB 3.25Å; G632-A635 WeakPolarHBondContact O-CB 3.46Å; G632-A635 PolarHBondContact O-N 3.44Å; G632-A635 VanDerWaalsContact O-N 3.13Å; I633-A635 VanDerWaalsContact C-N 3.29Å
636P91.8Very high85.9Confident8 Ų870 Ų705%0.05238%0.376CS..PPolyproline II helixtrans-60.4157.5170.430.1-37.6000111.3Y626 L628 V640 P1229Y626-P636 HydrophobicContact CD1-CG 3.8Å; Y626-P636 HydrophobicContact CD2-CG 3.78Å; Y626-P636 HydrophobicContact CE1-CG 3.79Å; Y626-P636 HydrophobicContact CE2-CG 3.78Å; Y626-P636 HydrophobicContact CG-CG 3.78Å; L628-P636 HydrophobicContact CD2-CG 4.31Å; P636-V640 HydrophobicContact CB-CB 4.1Å; P636-V640 HydrophobicContact CB-CG1 3.95Å; P636-P1229 HydrophobicContact CB-CG 4.48Å
637S88.9Confident85.8Confident65 Ų6569.4 Ų69.446%0.45537%0.373SS..PPolyproline II helixtrans-59.5158-179.8760000111.7A639 V640 S641S637-A639 PolarHBondContact O-N 2.94Å; S637-A639 VanDerWaalsContact O-N 3.14Å; S637-V640 PolarHBondContact O-N 3.15Å; S637-S641 PolarHBondContact O-N 3.47Å; S637-S641 PolarHBondContact O-OG 3.11Å
638K85.8Confident85.7Confident188 Ų18868.3 Ų68.382%0.81737%0.366SS*.THydrogen-bonded Turntrans-58.3-25.8175.6-71.1-171.6179-176.30113.2S641 K642K638-S641 WeakPolarHBondContact CA-OG 3.39Å; K638-K642 WeakPolarHBondContact O-CA 3.34Å; K638-K642 VanDerWaalsContact O-CB 3.25Å; K638-K642 WeakPolarHBondContact O-CB 3.49Å; K638-K642 PolarHBondContact O-N 2.97Å
639A81.2Confident85.8Confident33 Ų3364.7 Ų64.727%0.27335%0.348SS..THydrogen-bonded Turntrans-71.2-32.7176.700000112.5E533 S637E533-A639 HydrophobicContact CB-CB 3.97Å; S637-A639 PolarHBondContact O-N 2.94Å; S637-A639 VanDerWaalsContact O-N 3.14Å
640V85.4Confident86Confident5 Ų555.6 Ų55.63%0.0331%0.305CS..THydrogen-bonded Turntrans-84.3-33.5178.1176.40000111.5H538 P636 S637 Y1226 H1227H538-V640 PolarHBondContact CE1-O 3.17Å; H538-V640 VanDerWaalsContact CE1-O 3.3Å; P636-V640 HydrophobicContact CB-CB 4.1Å; P636-V640 HydrophobicContact CB-CG1 3.95Å; S637-V640 PolarHBondContact O-N 3.15Å; V640-Y1226 HydrophobicContact CG2-CD2 4.09Å; V640-H1227 WeakPolarHBondContact CG1-ND1 3.27Å
641S84.1Confident86.3Confident38 Ų3849 Ų4927%0.26628%0.276SS..SBendtrans-92.64.7178.551.60000114S637 K638S637-S641 PolarHBondContact O-N 3.47Å; S637-S641 PolarHBondContact O-OG 3.11Å; K638-S641 WeakPolarHBondContact CA-OG 3.39Å
642K77.4Confident86.5Confident83 Ų8348.6 Ų48.636%0.36128%0.275SS..  trans-63.9134.5178.1-156.6-177.5179.5-177.50109.1D531 Y534 K638 P644D531-K642 IonicContact OD1-NZ 3.02Å; D531-K642 PolarHBondContact OD1-NZ 2.98Å; D531-K642 IonicContact OD2-NZ 2.79Å; D531-K642 PolarHBondContact OD2-NZ 3.26Å; D531-K642 VanDerWaalsContact OD2-NZ 3.1Å; Y534-K642 HydrophobicContact CD2-CB 4.22Å; Y534-K642 HydrophobicContact CD2-CD 4.38Å; Y534-K642 HydrophobicContact CE2-CB 4.47Å; K638-K642 WeakPolarHBondContact O-CA 3.34Å; K638-K642 VanDerWaalsContact O-CB 3.25Å; K638-K642 WeakPolarHBondContact O-CB 3.49Å; K638-K642 PolarHBondContact O-N 2.97Å; K642-P644 HydrophobicContact CD-CB 4.24Å; K642-P644 HydrophobicContact CD-CG 4.21Å; K642-P644 HydrophobicContact CG-CB 4.34Å; K642-P644 HydrophobicContact CG-CG 4.28Å; K642-P644 WeakPolarHBondContact O-CD 3.12Å
643D72.8Confident86.7Confident119 Ų11946.6 Ų46.664%0.63625%0.253SS*.  trans-11171.5166.5-167.325.2000109.4K726D643-K726 IonicContact OD1-NZ 3.93Å; D643-K726 PolarHBondContact OD1-NZ 3.45Å; D643-K726 IonicContact OD2-NZ 3.05Å; D643-K726 PolarHBondContact OD2-NZ 3.28Å
644P74.9Confident86.8Confident30 Ų3039.2 Ų39.220%0.19521%0.214CC..PPolyproline II helixtrans-75.4172.7178.235.1-34.5000110.8Y534 K642 S646Y534-P644 HydrophobicContact CD2-CG 4.08Å; Y534-P644 HydrophobicContact CE1-CG 4.1Å; Y534-P644 HydrophobicContact CE2-CG 3.28Å; Y534-P644 VanDerWaalsContact OH-CG 3.31Å; Y534-P644 WeakPolarHBondContact OH-CG 3.45Å; K642-P644 HydrophobicContact CD-CB 4.24Å; K642-P644 HydrophobicContact CD-CG 4.21Å; K642-P644 HydrophobicContact CG-CB 4.34Å; K642-P644 HydrophobicContact CG-CG 4.28Å; K642-P644 WeakPolarHBondContact O-CD 3.12Å; P644-S646 PolarHBondContact O-N 3.02Å; P644-S646 VanDerWaalsContact O-N 3.16Å
645M78.2Confident86.9Confident92 Ų9238.2 Ų38.245%0.45321%0.206SC..PPolyproline II helixtrans-52.9122.6169.4180166.113900110.2Y592 Y647Y592-M645 HydrophobicContact CD1-CE 3.45Å; Y592-M645 VanDerWaalsContact CD1-CE 3.45Å; Y592-M645 HydrophobicContact CD1-CG 4.18Å; Y592-M645 HydrophobicContact CD1-SD 4.43Å; Y592-M645 HydrophobicContact CE1-CE 4.39Å; Y592-M645 HydrophobicContact CG-CE 3.92Å; M645-Y647 WeakPolarHBondContact O-CD1 3.44Å
646S84.5Confident87Confident19 Ų1938 Ų3813%0.13320%0.201CC..PPolyproline II helixtrans-66.7139.9-176.7-51.50000111.5P593 P644P593-S646 WeakPolarHBondContact CD-O 2.96Å; P644-S646 PolarHBondContact O-N 3.02Å; P644-S646 VanDerWaalsContact O-N 3.16Å
647Y88.1Confident86.9Confident11 Ų1137.8 Ų37.84%0.04320%0.199CC..  trans-142.4155.2178.258.4-97.9000110.7Y534 Y539 P590 V591 Y592 M645 L649 A729 L730Y534-Y647 HydrophobicContact CD1-CE1 4.42Å; Y534-Y647 VanDerWaalsContact CD1-OH 3.29Å; Y534-Y647 WeakPolarHBondContact CD1-OH 3.23Å; Y534-Y647 AromaticContact CE1-CE1 3.74Å; Y534-Y647 HydrophobicContact CE1-CE1 3.74Å; Y534-Y647 AromaticContact CE1-CZ 3.69Å; Y534-Y647 VanDerWaalsContact CE1-OH 3.28Å; Y534-Y647 WeakPolarHBondContact CE1-OH 3.38Å; Y539-Y647 AromaticContact CE2-CE2 3.82Å; Y539-Y647 HydrophobicContact CE2-CE2 3.82Å; Y539-Y647 AromaticContact CZ-CE2 3.74Å; Y539-Y647 VanDerWaalsContact OH-CD2 3.23Å; Y539-Y647 WeakPolarHBondContact OH-CD2 3.35Å; Y539-Y647 VanDerWaalsContact OH-CE2 3.24Å; Y539-Y647 WeakPolarHBondContact OH-CE2 3.43Å; Y539-Y647 PolarHBondContact OH-O 3.23Å; P590-Y647 HydrophobicContact CB-CD2 3.42Å; P590-Y647 VanDerWaalsContact CB-CD2 3.42Å; P590-Y647 HydrophobicContact CB-CE2 3.73Å; P590-Y647 HydrophobicContact CB-CG 3.93Å; V591-Y647 CarbonylContact O-C 3.59Å; V591-Y647 WeakPolarHBondContact O-CA 3.37Å; Y592-Y647 HydrophobicContact CD1-CD1 4.34Å; Y592-Y647 HydrophobicContact CD1-CG 4.38Å; Y592-Y647 AromaticContact CE1-CD1 3.52Å; Y592-Y647 HydrophobicContact CE1-CD1 3.52Å; Y592-Y647 HydrophobicContact CE1-CE1 4.46Å; Y592-Y647 AromaticContact CE1-CG 3.92Å; Y592-Y647 HydrophobicContact CE1-CG 3.92Å; Y592-Y647 AromaticContact CZ-CD1 3.74Å; M645-Y647 WeakPolarHBondContact O-CD1 3.44Å; Y647-L649 HydrophobicContact CE2-CB 4.34Å; Y647-L649 HydrophobicContact CE2-CD1 4.26Å; Y647-A729 CarbonylContact C-O 3.37Å; Y647-L730 VanDerWaalsContact O-CD2 3.26Å; Y647-L730 WeakPolarHBondContact O-CD2 3.4Å
648A91.1Very high87Confident5 Ų536 Ų364%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-84.6143.4167.500000110.1P590 V591 A729 L730P590-A648 CarbonylContact C-O 3.54Å; P590-A648 VanDerWaalsContact CA-O 3.31Å; P590-A648 WeakPolarHBondContact CA-O 3.41Å; V591-A648 HydrophobicContact CB-CB 4.36Å; V591-A648 PolarHBondContact N-O 3.1Å; V591-A648 PolarHBondContact O-N 3.15Å; A648-A729 PolarHBondContact N-O 2.82Å; A648-L730 VanDerWaalsContact CA-O 3.24Å; A648-L730 WeakPolarHBondContact CA-O 3.34Å; A648-L730 WeakPolarHBondContact CB-O 3.23Å
649L92.9Very high87Confident3 Ų330 Ų302%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-109.2128.5-179.4-17866.5000110.8I535 Y539 Y588 V618 Y647I535-L649 HydrophobicContact CG1-CD2 4.42Å; I535-L649 HydrophobicContact CG2-CD2 3.6Å; Y539-L649 HydrophobicContact CD1-CB 3.64Å; Y539-L649 HydrophobicContact CD1-CD2 4.11Å; Y539-L649 HydrophobicContact CD2-CB 4.32Å; Y539-L649 HydrophobicContact CD2-CD2 3.72Å; Y539-L649 HydrophobicContact CE1-CB 3.55Å; Y539-L649 HydrophobicContact CE2-CB 4.24Å; Y539-L649 HydrophobicContact CE2-CD2 4.26Å; Y539-L649 HydrophobicContact CG-CB 4.05Å; Y539-L649 HydrophobicContact CG-CD2 3.63Å; Y588-L649 HydrophobicContact CD1-CD1 4.17Å; Y588-L649 HydrophobicContact CD1-CD2 4.3Å; V618-L649 HydrophobicContact CB-CB 4.37Å; V618-L649 HydrophobicContact CB-CD2 4.25Å; V618-L649 HydrophobicContact CB-CG 4.35Å; V618-L649 HydrophobicContact CG2-CD2 4.3Å; V618-L649 HydrophobicContact CG2-CG 4.25Å; V618-L649 PolarHBondContact N-O 3.41Å; Y647-L649 HydrophobicContact CE2-CB 4.34Å; Y647-L649 HydrophobicContact CE2-CD1 4.26Å
650N93.1Very high87Confident2 Ų232.5 Ų32.51%0.01117%0.173CC..EExtended strand (participates in β ladder)trans-112.7149.4168.5-53.7-78.1000110.1Y589 V591 L612 L615 V616 P617 W736Y589-N650 HydrophobicContact CD1-CB 4.28Å; Y589-N650 PolarHBondContact N-O 2.92Å; Y589-N650 PolarHBondContact O-N 3.42Å; Y589-N650 PolarHBondContact O-ND2 3.2Å; V591-N650 VanDerWaalsContact CG2-ND2 3.35Å; V591-N650 WeakPolarHBondContact CG2-ND2 3.38Å; L612-N650 HydrophobicContact CD1-CB 4.23Å; L615-N650 HydrophobicContact CB-CB 4Å; L615-N650 HydrophobicContact CD1-CB 3.88Å; V616-N650 CarbonylContact O-C 3.58Å; V616-N650 WeakPolarHBondContact O-CA 3.25Å; P617-N650 WeakPolarHBondContact CA-OD1 3.33Å; N650-W736 WeakPolarHBondContact OD1-CZ2 3.27Å
651H94.4Very high87Confident0 Ų034.6 Ų34.60%018%0.182CC..EExtended strand (participates in β ladder)trans-136.4150-173175.363.5000112.1I541 L587 Y588 L615 V616 V618 N653I541-H651 HydrophobicContact CD1-CB 3.82Å; I541-H651 VanDerWaalsContact CD1-CG 3.45Å; L587-H651 WeakPolarHBondContact O-CA 3.21Å; L587-H651 PolarHBondContact O-ND1 2.81Å; L587-H651 VanDerWaalsContact O-ND1 3.12Å; Y588-H651 AromaticContact CD1-ND1 3.87Å; Y588-H651 AromaticContact CE1-ND1 3.6Å; L615-H651 WeakPolarHBondContact CA-O 3.37Å; V616-H651 HydrophobicContact CG2-CB 4.18Å; V616-H651 WeakPolarHBondContact CG2-O 3.49Å; V616-H651 PolarHBondContact N-O 3.48Å; V616-H651 PolarHBondContact O-N 2.9Å; V618-H651 HydrophobicContact CG2-CB 3.51Å; H651-N653 PolarHBondContact NE2-ND2 3.33Å
652T94.3Very high87.2Confident1 Ų135.5 Ų35.51%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-145.7157.8158.8-173.70000110.2L587 L615L587-T652 HydrophobicContact CB-CG2 3.87Å; L587-T652 HydrophobicContact CD1-CG2 4.16Å; L587-T652 HydrophobicContact CG-CG2 4.49Å; L587-T652 PolarHBondContact N-O 2.92Å; L587-T652 PolarHBondContact O-N 3.45Å; L615-T652 HydrophobicContact CD2-CG2 3.44Å; L615-T652 VanDerWaalsContact CD2-CG2 3.44Å
653N93.9Very high87.6Confident4 Ų432.8 Ų32.82%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-146.2-178.9175.760.924.6000109.4F544 I545 S585 H651 K655 L656 T657F544-N653 PolarHBondContact O-ND2 2.95Å; F544-N653 VanDerWaalsContact O-ND2 3.1Å; I545-N653 HydrophobicContact CG2-CB 4.48Å; I545-N653 WeakPolarHBondContact CG2-ND2 3.44Å; S585-N653 WeakPolarHBondContact O-CA 3.27Å; S585-N653 VanDerWaalsContact O-CB 3.28Å; S585-N653 WeakPolarHBondContact O-CB 3.44Å; H651-N653 PolarHBondContact NE2-ND2 3.33Å; N653-K655 VanDerWaalsContact ND2-CE 3.28Å; N653-K655 WeakPolarHBondContact ND2-CE 3.25Å; N653-K655 PolarHBondContact O-N 2.88Å; N653-K655 WeakPolarHBondContact OD1-CG 3.42Å; N653-K655 PolarHBondContact OD1-N 2.82Å; N653-L656 PolarHBondContact O-N 2.96Å; N653-L656 WeakPolarHBondContact OD1-CB 3.28Å; N653-L656 WeakPolarHBondContact OD1-CG 3.42Å; N653-L656 PolarHBondContact OD1-N 3.32Å; N653-T657 VanDerWaalsContact O-CG2 3.31Å; N653-T657 WeakPolarHBondContact O-CG2 3.4Å; N653-T657 PolarHBondContact O-N 2.82Å
654R91.4Very high88.4Confident13 Ų1327.6 Ų27.65%0.04915%0.146CC..Hα-helixtrans-57-44.2-176-70178.6173.1-117.86.2113.2K50 D72 Y73 L579 L656 T657K50-R654 WeakPolarHBondContact O-CD 3.43Å; D72-R654 IonicContact OD1-CZ 2.95Å; D72-R654 IonicContact OD1-NH1 3.56Å; D72-R654 PolarHBondContact OD1-NH1 3.25Å; D72-R654 IonicContact OD2-NH1 2.9Å; Y73-R654 VanDerWaalsContact CE1-NH1 3.35Å; L579-R654 HydrophobicContact CB-CG 4.4Å; L579-R654 HydrophobicContact CD1-CG 3.93Å; R654-L656 PolarHBondContact O-N 3.18Å; R654-T657 PolarHBondContact O-N 3.3Å; R654-T657 PolarHBondContact O-OG1 2.86Å
655K90.6Very high89Confident58 Ų5826.6 Ų26.625%0.25214%0.139SC..Hα-helixtrans-65.2-38.7179.559.1176.3179.1-168.70113.1E49 A51 F544 N653 T657 E659E49-K655 IonicContact OE2-NZ 3.14Å; A51-K655 WeakPolarHBondContact O-CA 3.37Å; A51-K655 PolarHBondContact O-N 3.44Å; F544-K655 WeakPolarHBondContact O-CE 3.49Å; F544-K655 PolarHBondContact O-NZ 3.29Å; N653-K655 VanDerWaalsContact ND2-CE 3.28Å; N653-K655 WeakPolarHBondContact ND2-CE 3.25Å; N653-K655 PolarHBondContact O-N 2.88Å; N653-K655 WeakPolarHBondContact OD1-CG 3.42Å; N653-K655 PolarHBondContact OD1-N 2.82Å; K655-T657 VanDerWaalsContact C-N 3.3Å; K655-T657 PolarHBondContact O-N 2.93Å; K655-E659 PolarHBondContact O-N 2.93Å
656L91.6Very high89.5Confident20 Ų2022.5 Ų22.511%0.10512%0.12CC..Hα-helixtrans-69.5-26.3179-69.1171.5000112.2F544 V616 N653 R654 L658 E659F544-L656 HydrophobicContact CD1-CD1 4.29Å; V616-L656 HydrophobicContact CG1-CD1 4.31Å; V616-L656 HydrophobicContact CG1-CD2 4.17Å; V616-L656 HydrophobicContact CG2-CD1 3.75Å; N653-L656 PolarHBondContact O-N 2.96Å; N653-L656 WeakPolarHBondContact OD1-CB 3.28Å; N653-L656 WeakPolarHBondContact OD1-CG 3.42Å; N653-L656 PolarHBondContact OD1-N 3.32Å; R654-L656 PolarHBondContact O-N 3.18Å; L656-L658 VanDerWaalsContact C-N 3.28Å; L656-L658 PolarHBondContact O-N 2.8Å; L656-E659 WeakPolarHBondContact O-CB 3.37Å; L656-E659 PolarHBondContact O-N 2.82Å; L656-E659 VanDerWaalsContact O-N 3.16Å
657T91.3Very high89.8Confident4 Ų422.9 Ų22.93%0.02512%0.119CC..Hα-helixtrans-62.6-31.1179.365.20000114.1K572 L575 K576 L579 N653 R654 K655K572-T657 WeakPolarHBondContact CD-O 3.36Å; L575-T657 HydrophobicContact CB-CG2 4.36Å; K576-T657 HydrophobicContact CB-CG2 4.23Å; L579-T657 HydrophobicContact CD1-CG2 3.86Å; N653-T657 VanDerWaalsContact O-CG2 3.31Å; N653-T657 WeakPolarHBondContact O-CG2 3.4Å; N653-T657 PolarHBondContact O-N 2.82Å; R654-T657 PolarHBondContact O-N 3.3Å; R654-T657 PolarHBondContact O-OG1 2.86Å; K655-T657 VanDerWaalsContact C-N 3.3Å; K655-T657 PolarHBondContact O-N 2.93Å
658L89.8Confident90.1Very high29 Ų2922.3 Ų22.315%0.15212%0.117CC..THydrogen-bonded Turntrans-107.39.2176.5-61.4-176000112.5R18 N52 L53 L103 V130 L656 P660R18-L658 PolarHBondContact NH2-O 2.79Å; N52-L658 HydrophobicContact CB-CD1 3.76Å; N52-L658 HydrophobicContact CB-CG 4.45Å; L53-L658 HydrophobicContact CB-CD1 4.24Å; L103-L658 HydrophobicContact CD1-CD1 4.35Å; V130-L658 HydrophobicContact CG2-CD1 4.17Å; V130-L658 HydrophobicContact CG2-CD2 4.42Å; L656-L658 VanDerWaalsContact C-N 3.28Å; L656-L658 PolarHBondContact O-N 2.8Å; L658-P660 WeakPolarHBondContact O-CD 3.4Å
659E86.7Confident90.4Very high60 Ų6022.2 Ų22.228%0.2812%0.116SC..PPolyproline II helixtrans-76.3121.8175.9-167.4145.3174.200110.3R18 K572 K655 L656R18-E659 IonicContact NH1-OE1 3.31Å; R18-E659 IonicContact NH1-OE2 3.99Å; R18-E659 PolarHBondContact NH1-OE2 2.83Å; R18-E659 VanDerWaalsContact NH2-CA 3.35Å; K572-E659 PolarHBondContact NZ-O 2.96Å; K655-E659 PolarHBondContact O-N 2.93Å; L656-E659 WeakPolarHBondContact O-CB 3.37Å; L656-E659 PolarHBondContact O-N 2.82Å; L656-E659 VanDerWaalsContact O-N 3.16Å
660P81.4Confident90.6Very high86 Ų8622.1 Ų22.156%0.55812%0.115SC*.PPolyproline II helixtrans-70.5137.416829.9-31.8000108.8L658L658-P660 WeakPolarHBondContact O-CD 3.4Å
661K85.7Confident90.8Very high49 Ų4922.2 Ų22.221%0.21312%0.116CC..PPolyproline II helixtrans-101.3142.9167.9-67.5-170.9176.2-174.80108.3H613 L615 T663 H689 K691H613-K661 PolarHBondContact O-NZ 3.34Å; L615-K661 PolarHBondContact O-NZ 3.16Å; K661-T663 PolarHBondContact O-N 2.79Å; K661-H689 CarbonylContact C-O 3.45Å; K661-H689 WeakPolarHBondContact CA-O 3.44Å; K661-K691 HydrophobicContact CB-CB 4.32Å; K661-K691 HydrophobicContact CD-CB 4.45Å
662I86.4Confident90.8Very high57 Ų5722.8 Ų22.829%0.29212%0.122SC..EExtended strand (participates in β ladder)trans-80.8113.8173.9-64.9151.5000107.4H689 L690 K691 P1016 T1017I662-H689 PolarHBondContact N-O 2.66Å; I662-L690 HydrophobicContact CB-CD2 3.8Å; I662-L690 HydrophobicContact CD1-CD2 4.16Å; I662-L690 HydrophobicContact CG2-CD2 4.03Å; I662-L690 CarbonylContact O-C 3.6Å; I662-L690 WeakPolarHBondContact O-CA 3.27Å; I662-K691 PolarHBondContact O-N 3.01Å; I662-P1016 HydrophobicContact CD1-CG 3.76Å; I662-P1016 HydrophobicContact CG1-CG 4.47Å; I662-T1017 HydrophobicContact CD1-CG2 4.31Å
663T86.7Confident90.8Very high27 Ų2724 Ų2417%0.16613%0.132CC..EExtended strand (participates in β ladder)trans-81.6129.4178.6-58.60000110.6E430 K661 K691 N693E430-T663 HydrophobicContact CG-CG2 4.19Å; E430-T663 WeakPolarHBondContact OE2-CB 3.38Å; E430-T663 PolarHBondContact OE2-OG1 2.92Å; K661-T663 PolarHBondContact O-N 2.79Å; T663-K691 WeakPolarHBondContact CA-O 3.29Å; T663-N693 WeakPolarHBondContact CG2-ND2 3.45Å
664V88.7Confident90.7Very high10 Ų1025.4 Ų25.46%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-111111.1174.1-1760000108.4A666 K691 F692 N693 F1014V664-A666 HydrophobicContact CG1-CB 4.19Å; V664-K691 PolarHBondContact N-O 3.48Å; V664-F692 HydrophobicContact CB-CD1 3.72Å; V664-F692 HydrophobicContact CB-CE1 3.95Å; V664-F692 HydrophobicContact CB-CG 4.45Å; V664-F692 HydrophobicContact CG1-CD1 3.78Å; V664-F692 HydrophobicContact CG1-CE1 3.86Å; V664-F692 HydrophobicContact CG2-CD1 4.2Å; V664-F692 HydrophobicContact CG2-CE1 3.97Å; V664-F692 HydrophobicContact CG2-CZ 4.47Å; V664-N693 PolarHBondContact O-N 3.48Å; V664-F1014 HydrophobicContact CG1-CB 4.23Å; V664-F1014 HydrophobicContact CG1-CD1 3.76Å; V664-F1014 HydrophobicContact CG1-CE1 4.32Å; V664-F1014 HydrophobicContact CG1-CG 4Å; V664-F1014 HydrophobicContact CG2-CB 3.93Å
665N87.3Confident90.9Very high9 Ų926.5 Ų26.55%0.04815%0.149CC..  trans-95.9-7.7-179-81-34.5000113.6H426 K439 Y453 K667 N693 N694H426-N665 CarbonylContact O-C 3.49Å; H426-N665 VanDerWaalsContact O-C 3.3Å; H426-N665 WeakPolarHBondContact O-CB 3.4Å; K439-N665 PolarHBondContact NZ-OD1 3.36Å; Y453-N665 PolarHBondContact OH-ND2 2.98Å; N665-K667 PolarHBondContact O-N 3.39Å; N665-N693 PolarHBondContact OD1-ND2 3Å; N665-N694 PolarHBondContact O-ND2 3.1Å
666A89.2Confident91.2Very high5 Ų523.9 Ų23.94%0.04114%0.138CC..SBendtrans-54.4134.2176.400000111.7L427 V664 I668 D765 F1014L427-A666 HydrophobicContact CD2-CB 3.96Å; V664-A666 HydrophobicContact CG1-CB 4.19Å; A666-I668 HydrophobicContact CB-CG1 4.43Å; A666-I668 PolarHBondContact O-N 2.93Å; A666-I668 VanDerWaalsContact O-N 3.13Å; A666-D765 WeakPolarHBondContact CA-OD2 3.41Å; A666-D765 HydrophobicContact CB-CB 4.41Å; A666-F1014 HydrophobicContact CB-CE1 3.97Å
667K90.6Very high91.5Very high27 Ų2723 Ų2312%0.11713%0.133CC..  trans-75.995.2174.4-73.2180173.8166.90109.9H426 L448 N665 N694 L763 D765 H766H426-K667 VanDerWaalsContact CE1-CE 3.4Å; H426-K667 WeakPolarHBondContact CE1-CE 3.38Å; H426-K667 PolarHBondContact CE1-NZ 3.48Å; H426-K667 WeakPolarHBondContact NE2-CE 3.39Å; H426-K667 PolarHBondContact NE2-NZ 3.01Å; L448-K667 PolarHBondContact O-NZ 2.97Å; N665-K667 PolarHBondContact O-N 3.39Å; K667-N694 HydrophobicContact CG-CB 4.05Å; K667-L763 HydrophobicContact CD-CB 4.16Å; K667-D765 PolarHBondContact N-OD2 3.45Å; K667-D765 PolarHBondContact O-N 3.45Å; K667-H766 PolarHBondContact O-N 3.15Å; K667-H766 VanDerWaalsContact O-N 3.12Å
668I95.4Very high91.7Very high0 Ų022.8 Ų22.80%013%0.131CC..EExtended strand (participates in β ladder)trans-95.2106.6178.7-58.1175.8000107.8A666 F680 F692 N694 L695 T696 I768 F1014A666-I668 HydrophobicContact CB-CG1 4.43Å; A666-I668 PolarHBondContact O-N 2.93Å; A666-I668 VanDerWaalsContact O-N 3.13Å; I668-F680 HydrophobicContact CG2-CE1 4.11Å; I668-F680 HydrophobicContact CG2-CZ 4.19Å; I668-F692 HydrophobicContact CD1-CD1 3.85Å; I668-F692 HydrophobicContact CD1-CE1 3.9Å; I668-N694 PolarHBondContact N-O 3.43Å; I668-L695 HydrophobicContact CB-CD1 3.81Å; I668-L695 HydrophobicContact CG2-CD1 3.64Å; I668-T696 PolarHBondContact O-N 2.87Å; I668-I768 HydrophobicContact CG2-CD1 3.5Å; I668-I768 VanDerWaalsContact CG2-CD1 3.5Å; I668-F1014 HydrophobicContact CD1-CD2 4.31Å; I668-F1014 HydrophobicContact CD1-CE1 4.45Å; I668-F1014 HydrophobicContact CD1-CE2 3.59Å; I668-F1014 HydrophobicContact CD1-CZ 3.69Å; I668-F1014 HydrophobicContact CG1-CE2 4.5Å; I668-F1014 HydrophobicContact CG1-CZ 4.17Å
669I96.4Very high92.1Very high3 Ų321.5 Ų21.52%0.01513%0.125CC..EExtended strand (participates in β ladder)trans-105.8117.4-177-52.6-54.7000109.5V671 T696 I698 V762 L763 Y764 H766 L767 I768I669-V671 HydrophobicContact CG2-CG2 4.43Å; I669-T696 HydrophobicContact CD1-CG2 4.3Å; I669-I698 HydrophobicContact CG2-CD1 3.42Å; I669-I698 VanDerWaalsContact CG2-CD1 3.42Å; I669-I698 HydrophobicContact CG2-CG1 4.02Å; I669-V762 HydrophobicContact CD1-CG1 3.84Å; I669-V762 HydrophobicContact CG1-CG1 4.25Å; I669-V762 HydrophobicContact CG2-CG1 4.42Å; I669-L763 WeakPolarHBondContact CG1-O 3.49Å; I669-Y764 VanDerWaalsContact CG1-CB 3.45Å; I669-H766 PolarHBondContact N-O 3.38Å; I669-L767 HydrophobicContact CB-CD1 4.13Å; I669-L767 HydrophobicContact CG2-CD1 4.06Å; I669-I768 PolarHBondContact O-N 2.87Å
670V98Very high92.6Very high0 Ų018.6 Ų18.60%011%0.112CC..EExtended strand (participates in β ladder)trans-101.6124175.6-1740000108.8F680 L681 T696 L697 I698 I768 C770V670-F680 HydrophobicContact CG2-CD1 3.71Å; V670-F680 HydrophobicContact CG2-CE1 3.58Å; V670-L681 HydrophobicContact CG2-CD2 3.84Å; V670-L681 HydrophobicContact CG2-CG 4.37Å; V670-T696 PolarHBondContact N-O 3.01Å; V670-L697 HydrophobicContact CB-CD1 4.15Å; V670-L697 HydrophobicContact CG1-CD1 4.06Å; V670-L697 CarbonylContact O-C 3.56Å; V670-L697 WeakPolarHBondContact O-CA 3.46Å; V670-I698 PolarHBondContact O-N 2.86Å; V670-I768 CarbonylContact C-O 3.35Å; V670-I768 WeakPolarHBondContact CA-O 3.26Å; V670-I768 HydrophobicContact CG1-CG2 4.41Å; V670-I768 HydrophobicContact CG2-CB 4.25Å; V670-I768 HydrophobicContact CG2-CD1 4.49Å; V670-C770 HydrophobicContact CG1-CB 4.49Å
671V97.3Very high93.3Very high5 Ų514.5 Ų14.53%0.039%0.085CC..EExtended strand (participates in β ladder)trans-105.9115.7177.4-1730000109.5I669 I698 M744 L767 I768 L769 C770 T771I669-V671 HydrophobicContact CG2-CG2 4.43Å; V671-I698 HydrophobicContact CG2-CB 4.4Å; V671-I698 HydrophobicContact CG2-CD1 4.25Å; V671-M744 HydrophobicContact CG1-CB 3.95Å; V671-M744 HydrophobicContact CG1-SD 4.01Å; V671-M744 HydrophobicContact CG2-SD 4.35Å; V671-L767 HydrophobicContact CG2-CD1 3.64Å; V671-I768 PolarHBondContact N-O 3.4Å; V671-L769 HydrophobicContact CB-CD2 4.12Å; V671-L769 HydrophobicContact CG2-CD2 4.19Å; V671-C770 CarbonylContact O-C 3.59Å; V671-C770 WeakPolarHBondContact O-CA 3.28Å; V671-C770 PolarHBondContact O-N 2.89Å; V671-T771 HydrophobicContact CB-CG2 4.47Å; V671-T771 HydrophobicContact CG1-CG2 3.78Å; V671-T771 PolarHBondContact O-N 2.85Å
672G94.2Very high93.8Very high12 Ų1213.1 Ų13.112%0.1248%0.079CC..  trans100.5120.2179.300000113.1S674 I698G672-S674 PolarHBondContact O-N 3.31Å; G672-S674 VanDerWaalsContact O-N 3.09Å; G672-I698 PolarHBondContact N-O 2.92Å
673A93.3Very high94.2Very high26 Ų2610.8 Ų10.822%0.2157%0.067CC..  trans-83.640.9177.400000113.1I678 L697 S699A673-I678 HydrophobicContact CB-CD1 4.37Å; A673-L697 HydrophobicContact CB-CD1 4.4Å; A673-L697 HydrophobicContact CB-CD2 4.03Å; A673-S699 WeakPolarHBondContact CB-OG 3.29Å
674S93.7Very high94.6Very high33 Ų339.5 Ų9.523%0.2316%0.06CC..SBendtrans-72.5165.9175.769.50000111.5G672 V676 G677 I678 C770G672-S674 PolarHBondContact O-N 3.31Å; G672-S674 VanDerWaalsContact O-N 3.09Å; S674-V676 PolarHBondContact O-N 2.8Å; S674-V676 VanDerWaalsContact O-N 3.08Å; S674-G677 WeakPolarHBondContact O-CA 3.39Å; S674-G677 PolarHBondContact O-N 3.4Å; S674-G677 PolarHBondContact OG-N 3.03Å; S674-I678 WeakPolarHBondContact O-CG1 3.48Å; S674-I678 PolarHBondContact O-N 3.01Å; S674-C770 WeakPolarHBondContact CB-O 3.44Å; S674-C770 PolarHBondContact OG-O 3.06Å
675N94.8Very high94.8Very high37 Ų379.7 Ų9.720%0.1986%0.061CC..Hα-helixtrans-55.5-29.3176.2-69.5-19000113.2S679 D720 C722 F723N675-S679 VanDerWaalsContact O-CB 3.27Å; N675-S679 WeakPolarHBondContact O-CB 3.31Å; N675-S679 PolarHBondContact O-N 2.86Å; N675-D720 PolarHBondContact ND2-OD1 2.76Å; N675-D720 VanDerWaalsContact ND2-OD1 3.12Å; N675-D720 PolarHBondContact ND2-OD2 2.94Å; N675-C722 HydrophobicContact CB-CB 4.14Å; N675-F723 HydrophobicContact CB-CD2 4.27Å; N675-F723 HydrophobicContact CB-CE2 4.38Å; N675-F723 WeakPolarHBondContact O-CE2 3.32Å
676V97.1Very high95.1Very high3 Ų310.4 Ų10.42%0.0186%0.064CC..Hα-helixtrans-68.8-48.4172.7179.60000111S674 S679 F680 A977 S999 I1002 G1003S674-V676 PolarHBondContact O-N 2.8Å; S674-V676 VanDerWaalsContact O-N 3.08Å; V676-S679 PolarHBondContact O-N 3.3Å; V676-F680 WeakPolarHBondContact O-CB 3.41Å; V676-F680 PolarHBondContact O-N 2.93Å; V676-A977 HydrophobicContact CG1-CB 3.63Å; V676-S999 WeakPolarHBondContact CG2-O 3.37Å; V676-I1002 HydrophobicContact CG1-CG2 4Å; V676-I1002 HydrophobicContact CG2-CG2 4.38Å; V676-G1003 WeakPolarHBondContact O-CA 3.19Å
677G96.9Very high95.2Very high0 Ų011.2 Ų11.20%07%0.068CC..Hα-helixtrans-63.4-41.4178.100000112.9S674 F680 L681S674-G677 WeakPolarHBondContact O-CA 3.39Å; S674-G677 PolarHBondContact O-N 3.4Å; S674-G677 PolarHBondContact OG-N 3.03Å; G677-F680 WeakPolarHBondContact O-CB 3.17Å; G677-F680 PolarHBondContact O-N 2.69Å; G677-L681 VanDerWaalsContact O-CG 3.31Å; G677-L681 WeakPolarHBondContact O-CG 3.48Å; G677-L681 PolarHBondContact O-N 2.92Å
678I96.2Very high95.2Very high0 Ų011.7 Ų11.70%08%0.076CC..Hα-helixtrans-63.6-44.7174.6-62.7-51.8000111A673 S674 F680 L681 E682 L703 P704 F723 Y728 M731 L733A673-I678 HydrophobicContact CB-CD1 4.37Å; S674-I678 WeakPolarHBondContact O-CG1 3.48Å; S674-I678 PolarHBondContact O-N 3.01Å; I678-F680 VanDerWaalsContact C-N 3.32Å; I678-F680 PolarHBondContact O-N 3.46Å; I678-L681 PolarHBondContact O-N 2.81Å; I678-E682 VanDerWaalsContact O-CB 3.32Å; I678-E682 WeakPolarHBondContact O-CB 3.46Å; I678-E682 PolarHBondContact O-N 3.29Å; I678-L703 HydrophobicContact CD1-CD2 3.93Å; I678-P704 HydrophobicContact CD1-CG 3.91Å; I678-P704 HydrophobicContact CG1-CG 4.12Å; I678-F723 HydrophobicContact CB-CD2 4.44Å; I678-F723 HydrophobicContact CB-CE2 4.14Å; I678-F723 HydrophobicContact CB-CZ 4.48Å; I678-F723 HydrophobicContact CG2-CD1 4.24Å; I678-F723 HydrophobicContact CG2-CD2 4.05Å; I678-F723 HydrophobicContact CG2-CE1 4.04Å; I678-F723 HydrophobicContact CG2-CE2 3.86Å; I678-F723 HydrophobicContact CG2-CG 4.25Å; I678-F723 HydrophobicContact CG2-CZ 3.85Å; I678-Y728 HydrophobicContact CG1-CE1 4.36Å; I678-Y728 HydrophobicContact CG2-CE1 3.9Å; I678-M731 HydrophobicContact CG2-CE 4.19Å; I678-L733 HydrophobicContact CD1-CD1 4.27Å; I678-L733 HydrophobicContact CG2-CD1 4.07Å
679S97.3Very high94.9Very high2 Ų214.1 Ų14.11%0.0149%0.087CC..Hα-helixtrans-66.9-33.6178.6-177.60000112.9N675 V676 T683 K1000 F1004N675-S679 VanDerWaalsContact O-CB 3.27Å; N675-S679 WeakPolarHBondContact O-CB 3.31Å; N675-S679 PolarHBondContact O-N 2.86Å; V676-S679 PolarHBondContact O-N 3.3Å; S679-T683 WeakPolarHBondContact O-CB 3.47Å; S679-T683 PolarHBondContact O-N 3.16Å; S679-T683 PolarHBondContact O-OG1 3.21Å; S679-K1000 PolarHBondContact OG-O 3.02Å; S679-F1004 PolarHBondContact OG-N 3.2Å
680F97.9Very high94.6Very high0 Ų014.4 Ų14.40%09%0.088CC..Hα-helixtrans-60.8-51.6170.8172.9-94000111.2I668 V670 V676 G677 I678 T683 L684 I768 L1006 A1007 M1010I668-F680 HydrophobicContact CG2-CE1 4.11Å; I668-F680 HydrophobicContact CG2-CZ 4.19Å; V670-F680 HydrophobicContact CG2-CD1 3.71Å; V670-F680 HydrophobicContact CG2-CE1 3.58Å; V676-F680 WeakPolarHBondContact O-CB 3.41Å; V676-F680 PolarHBondContact O-N 2.93Å; G677-F680 WeakPolarHBondContact O-CB 3.17Å; G677-F680 PolarHBondContact O-N 2.69Å; I678-F680 VanDerWaalsContact C-N 3.32Å; I678-F680 PolarHBondContact O-N 3.46Å; F680-T683 PolarHBondContact O-N 3.33Å; F680-L684 HydrophobicContact CD1-CD1 4.34Å; F680-L684 HydrophobicContact CE1-CD1 3.62Å; F680-L684 HydrophobicContact CE2-CD1 4.29Å; F680-L684 HydrophobicContact CZ-CD1 3.59Å; F680-L684 HydrophobicContact CZ-CG 4.41Å; F680-L684 PolarHBondContact O-N 2.76Å; F680-I768 HydrophobicContact CE1-CD1 4.38Å; F680-I768 HydrophobicContact CE1-CG1 4.3Å; F680-I768 HydrophobicContact CZ-CD1 4.17Å; F680-I768 HydrophobicContact CZ-CG1 4.01Å; F680-L1006 HydrophobicContact CD2-CB 4.24Å; F680-L1006 HydrophobicContact CD2-CD2 3.74Å; F680-L1006 HydrophobicContact CD2-CG 3.67Å; F680-L1006 HydrophobicContact CE2-CD2 4.25Å; F680-L1006 HydrophobicContact CE2-CG 3.98Å; F680-L1006 HydrophobicContact CG-CD2 4.3Å; F680-A1007 HydrophobicContact CD2-CB 3.65Å; F680-A1007 HydrophobicContact CE2-CB 4.09Å; F680-A1007 HydrophobicContact CG-CB 4.39Å; F680-M1010 HydrophobicContact CE2-CB 4.44Å; F680-M1010 HydrophobicContact CE2-CG 4.33Å; F680-M1010 HydrophobicContact CE2-SD 3.53Å; F680-M1010 VanDerWaalsContact CE2-SD 3.53Å; F680-M1010 HydrophobicContact CZ-CE 4.41Å; F680-M1010 HydrophobicContact CZ-SD 3.65Å
681L96.7Very high94.1Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-62.4-44.2178.1-68.1171.5000112.3V670 G677 I678 T683 L684 V685 L695 L697 L733 V737V670-L681 HydrophobicContact CG2-CD2 3.84Å; V670-L681 HydrophobicContact CG2-CG 4.37Å; G677-L681 VanDerWaalsContact O-CG 3.31Å; G677-L681 WeakPolarHBondContact O-CG 3.48Å; G677-L681 PolarHBondContact O-N 2.92Å; I678-L681 PolarHBondContact O-N 2.81Å; L681-T683 VanDerWaalsContact C-N 3.28Å; L681-T683 PolarHBondContact O-N 3.36Å; L681-L684 PolarHBondContact O-N 3.05Å; L681-V685 WeakPolarHBondContact O-CB 3.2Å; L681-V685 VanDerWaalsContact O-CG2 3.29Å; L681-V685 WeakPolarHBondContact O-CG2 3.31Å; L681-V685 PolarHBondContact O-N 3Å; L681-L695 HydrophobicContact CD2-CD1 3.7Å; L681-L695 HydrophobicContact CD2-CD2 3.74Å; L681-L695 HydrophobicContact CD2-CG 3.7Å; L681-L697 HydrophobicContact CD1-CB 4.22Å; L681-L697 HydrophobicContact CD1-CD1 4.25Å; L681-L697 HydrophobicContact CD1-CD2 4.17Å; L681-L697 HydrophobicContact CD1-CG 4.45Å; L681-L733 HydrophobicContact CB-CD1 4.27Å; L681-L733 HydrophobicContact CB-CD2 4.39Å; L681-V737 HydrophobicContact CB-CG2 4.49Å; L681-V737 HydrophobicContact CD1-CG1 4.21Å; L681-V737 HydrophobicContact CD1-CG2 4.49Å; L681-V737 HydrophobicContact CD2-CG1 4.13Å; L681-V737 HydrophobicContact CD2-CG2 4.07Å
682E95.1Very high93.6Very high19 Ų1917.5 Ų17.59%0.08910%0.101CC..Hα-helixtrans-51.5-49.2173.6-178.3-175.7-164.300110.8I678 L684 V685 F686 F723 M731 K1000I678-E682 VanDerWaalsContact O-CB 3.32Å; I678-E682 WeakPolarHBondContact O-CB 3.46Å; I678-E682 PolarHBondContact O-N 3.29Å; E682-L684 PolarHBondContact O-N 3.45Å; E682-V685 PolarHBondContact O-N 2.96Å; E682-F686 HydrophobicContact CG-CD2 3.87Å; E682-F686 HydrophobicContact CG-CE2 3.99Å; E682-F686 WeakPolarHBondContact O-CD2 3.42Å; E682-F686 PolarHBondContact O-N 2.91Å; E682-F723 VanDerWaalsContact OE2-CE1 3.23Å; E682-F723 WeakPolarHBondContact OE2-CE1 3.4Å; E682-F723 VanDerWaalsContact OE2-CZ 3.32Å; E682-F723 WeakPolarHBondContact OE2-CZ 3.3Å; E682-M731 HydrophobicContact CB-CE 3.46Å; E682-M731 VanDerWaalsContact CB-CE 3.46Å; E682-M731 HydrophobicContact CG-CE 3.53Å; E682-M731 HydrophobicContact CG-SD 4.04Å; E682-K1000 IonicContact OE2-NZ 3.42Å
683T95.8Very high93.1Very high8 Ų818.4 Ų18.45%0.04910%0.103CC..Hα-helixtrans-63.7-45.4-175.3-570000111.3S679 F680 L681 C687 F1004 A1007S679-T683 WeakPolarHBondContact O-CB 3.47Å; S679-T683 PolarHBondContact O-N 3.16Å; S679-T683 PolarHBondContact O-OG1 3.21Å; F680-T683 PolarHBondContact O-N 3.33Å; L681-T683 VanDerWaalsContact C-N 3.28Å; L681-T683 PolarHBondContact O-N 3.36Å; T683-C687 PolarHBondContact O-SG 3.25Å; T683-C687 VanDerWaalsContact O-SG 3.33Å; T683-F1004 HydrophobicContact CG2-CD2 3.84Å; T683-F1004 HydrophobicContact CG2-CE2 4.11Å; T683-A1007 HydrophobicContact CG2-CB 3.6Å
684L95.1Very high92.8Very high1 Ų117.8 Ų17.81%0.00510%0.096CC..Hα-helixtrans-67.2-42.4178.9-63.1-174000112.8F680 L681 E682 F686 C687 F692 L695 A1007 L1011F680-L684 HydrophobicContact CD1-CD1 4.34Å; F680-L684 HydrophobicContact CE1-CD1 3.62Å; F680-L684 HydrophobicContact CE2-CD1 4.29Å; F680-L684 HydrophobicContact CZ-CD1 3.59Å; F680-L684 HydrophobicContact CZ-CG 4.41Å; F680-L684 PolarHBondContact O-N 2.76Å; L681-L684 PolarHBondContact O-N 3.05Å; E682-L684 PolarHBondContact O-N 3.45Å; L684-F686 VanDerWaalsContact C-N 3.3Å; L684-F686 PolarHBondContact O-N 3.46Å; L684-C687 WeakPolarHBondContact O-CB 3.5Å; L684-C687 PolarHBondContact O-N 3.17Å; L684-F692 HydrophobicContact CB-CD2 4.29Å; L684-F692 HydrophobicContact CB-CE2 3.86Å; L684-F692 HydrophobicContact CB-CZ 4.18Å; L684-F692 HydrophobicContact CD1-CE1 4.47Å; L684-F692 HydrophobicContact CD1-CZ 4.44Å; L684-F692 HydrophobicContact CD2-CE2 4.41Å; L684-F692 HydrophobicContact CD2-CZ 3.95Å; L684-F692 HydrophobicContact CG-CZ 4.42Å; L684-F692 WeakPolarHBondContact O-CE2 3.45Å; L684-L695 HydrophobicContact CB-CD2 4.48Å; L684-L695 HydrophobicContact CD1-CD1 4.22Å; L684-A1007 HydrophobicContact CD2-CB 4.24Å; L684-A1007 HydrophobicContact CG-CB 4.47Å; L684-L1011 HydrophobicContact CD2-CD2 3.58Å; L684-L1011 HydrophobicContact CD2-CG 3.87Å
685V92.4Very high92.7Very high14 Ų1416.4 Ų16.49%0.0859%0.086CC..Hα-helixtrans-64.1-35.2-177.8167.60000112P617 L681 E682 C687 L695 L733 W736 V737P617-V685 HydrophobicContact CG-CG1 4.25Å; P617-V685 VanDerWaalsContact CG-O 3.24Å; P617-V685 WeakPolarHBondContact CG-O 3.49Å; L681-V685 WeakPolarHBondContact O-CB 3.2Å; L681-V685 VanDerWaalsContact O-CG2 3.29Å; L681-V685 WeakPolarHBondContact O-CG2 3.31Å; L681-V685 PolarHBondContact O-N 3Å; E682-V685 PolarHBondContact O-N 2.96Å; V685-C687 VanDerWaalsContact C-N 3.3Å; V685-C687 PolarHBondContact O-N 3.12Å; V685-L695 HydrophobicContact CG2-CD2 4.3Å; V685-L733 HydrophobicContact CB-CD2 4.37Å; V685-L733 HydrophobicContact CG2-CD2 4.07Å; V685-W736 HydrophobicContact CB-CB 4.49Å; V685-W736 HydrophobicContact CG1-CB 3.89Å; V685-W736 VanDerWaalsContact CG1-CD1 3.42Å; V685-W736 HydrophobicContact CG1-CD2 4.23Å; V685-W736 HydrophobicContact CG1-CG 3.58Å; V685-W736 HydrophobicContact CG2-CB 3.73Å; V685-W736 HydrophobicContact CG2-CG 4.35Å; V685-V737 HydrophobicContact CG2-CG2 4.13Å
686F93.6Very high92.5Very high24 Ų2415.4 Ų15.411%0.1058%0.082CC..THydrogen-bonded Turntrans-84.35.2179.3-74.8-67000114.4P617 R619 E682 L684 S688 M731P617-F686 HydrophobicContact CB-CD1 4.05Å; P617-F686 HydrophobicContact CB-CE1 3.9Å; P617-F686 HydrophobicContact CG-CD1 4.2Å; R619-F686 VanDerWaalsContact CA-CE1 3.47Å; R619-F686 HydrophobicContact CB-CD1 3.96Å; R619-F686 HydrophobicContact CB-CE1 4.08Å; R619-F686 HydrophobicContact CB-CG 4.35Å; E682-F686 HydrophobicContact CG-CD2 3.87Å; E682-F686 HydrophobicContact CG-CE2 3.99Å; E682-F686 WeakPolarHBondContact O-CD2 3.42Å; E682-F686 PolarHBondContact O-N 2.91Å; L684-F686 VanDerWaalsContact C-N 3.3Å; L684-F686 PolarHBondContact O-N 3.46Å; F686-S688 PolarHBondContact O-N 3.04Å; F686-M731 HydrophobicContact CE2-CB 4.47Å; F686-M731 HydrophobicContact CE2-CG 4.06Å; F686-M731 HydrophobicContact CZ-CG 4.37Å
687C91.9Very high92.4Very high21 Ų2115.3 Ų15.314%0.1428%0.081CC..  trans-76.793.7167.7-67.70000109.9T683 L684 V685 H689 L690T683-C687 PolarHBondContact O-SG 3.25Å; T683-C687 VanDerWaalsContact O-SG 3.33Å; L684-C687 WeakPolarHBondContact O-CB 3.5Å; L684-C687 PolarHBondContact O-N 3.17Å; V685-C687 VanDerWaalsContact C-N 3.3Å; V685-C687 PolarHBondContact O-N 3.12Å; C687-H689 VanDerWaalsContact C-N 3.32Å; C687-H689 PolarHBondContact O-N 2.95Å; C687-L690 HydrophobicContact CB-CB 4.14Å; C687-L690 HydrophobicContact CB-CD1 4.02Å; C687-L690 HydrophobicContact CB-CG 4.14Å; C687-L690 PolarHBondContact O-N 3.48Å; C687-L690 VanDerWaalsContact O-N 3.14Å
688S89.4Confident92.3Very high38 Ų3815.3 Ų15.327%0.2668%0.081SC..THydrogen-bonded Turntrans-64.3-27.8-168.155.40000115.4F686F686-S688 PolarHBondContact O-N 3.04Å
689H88.8Confident92.1Very high51 Ų5115.7 Ų15.724%0.2368%0.083CC..THydrogen-bonded Turntrans-85.7-13.3178.663.8-63.5000113.5K661 I662 C687 D1015K661-H689 CarbonylContact C-O 3.45Å; K661-H689 WeakPolarHBondContact CA-O 3.44Å; I662-H689 PolarHBondContact N-O 2.66Å; C687-H689 VanDerWaalsContact C-N 3.32Å; C687-H689 PolarHBondContact O-N 2.95Å; H689-D1015 IonicContact CD2-OD1 3.57Å; H689-D1015 IonicContact CD2-OD2 3.04Å; H689-D1015 IonicContact CE1-OD2 3.8Å; H689-D1015 PolarHBondContact CE1-OD2 3.2Å; H689-D1015 VanDerWaalsContact NE2-CG 3.26Å; H689-D1015 IonicContact NE2-OD1 3.14Å; H689-D1015 PolarHBondContact NE2-OD1 3.34Å; H689-D1015 IonicContact NE2-OD2 3.78Å; H689-D1015 PolarHBondContact NE2-OD2 2.78Å
690L90.4Very high91.7Very high9 Ų917.4 Ų17.45%0.0479%0.094CC..EExtended strand (participates in β ladder)trans-99.4152177.5-57.2-176.5000111.1I662 C687 F692 L1011 D1015I662-L690 HydrophobicContact CB-CD2 3.8Å; I662-L690 HydrophobicContact CD1-CD2 4.16Å; I662-L690 HydrophobicContact CG2-CD2 4.03Å; I662-L690 CarbonylContact O-C 3.6Å; I662-L690 WeakPolarHBondContact O-CA 3.27Å; C687-L690 HydrophobicContact CB-CB 4.14Å; C687-L690 HydrophobicContact CB-CD1 4.02Å; C687-L690 HydrophobicContact CB-CG 4.14Å; C687-L690 PolarHBondContact O-N 3.48Å; C687-L690 VanDerWaalsContact O-N 3.14Å; L690-F692 HydrophobicContact CB-CE2 3.89Å; L690-F692 HydrophobicContact CB-CZ 4.31Å; L690-F692 HydrophobicContact CD1-CE2 4.1Å; L690-F692 HydrophobicContact CD1-CZ 3.84Å; L690-L1011 HydrophobicContact CD1-CD2 3.58Å; L690-D1015 HydrophobicContact CD1-CB 4.2Å; L690-D1015 HydrophobicContact CD2-CB 4.4Å
691K88Confident91.2Very high43 Ų4320.9 Ų20.919%0.18711%0.11CC..EExtended strand (participates in β ladder)trans-133.8101.8174.9-179.9-165.6172.4-149.80109.6K661 I662 T663 V664 N693K661-K691 HydrophobicContact CB-CB 4.32Å; K661-K691 HydrophobicContact CD-CB 4.45Å; I662-K691 PolarHBondContact O-N 3.01Å; T663-K691 WeakPolarHBondContact CA-O 3.29Å; V664-K691 PolarHBondContact N-O 3.48Å; K691-N693 WeakPolarHBondContact CE-OD1 3.24Å; K691-N693 PolarHBondContact NZ-OD1 3Å
692F88Confident90.7Very high27 Ų2721 Ų2112%0.11811%0.112CC..EExtended strand (participates in β ladder)trans-82.5116.4174.4-60.8-85.8000110.1V664 I668 L684 L690 L695 L1011 F1014V664-F692 HydrophobicContact CB-CD1 3.72Å; V664-F692 HydrophobicContact CB-CE1 3.95Å; V664-F692 HydrophobicContact CB-CG 4.45Å; V664-F692 HydrophobicContact CG1-CD1 3.78Å; V664-F692 HydrophobicContact CG1-CE1 3.86Å; V664-F692 HydrophobicContact CG2-CD1 4.2Å; V664-F692 HydrophobicContact CG2-CE1 3.97Å; V664-F692 HydrophobicContact CG2-CZ 4.47Å; I668-F692 HydrophobicContact CD1-CD1 3.85Å; I668-F692 HydrophobicContact CD1-CE1 3.9Å; L684-F692 HydrophobicContact CB-CD2 4.29Å; L684-F692 HydrophobicContact CB-CE2 3.86Å; L684-F692 HydrophobicContact CB-CZ 4.18Å; L684-F692 HydrophobicContact CD1-CE1 4.47Å; L684-F692 HydrophobicContact CD1-CZ 4.44Å; L684-F692 HydrophobicContact CD2-CE2 4.41Å; L684-F692 HydrophobicContact CD2-CZ 3.95Å; L684-F692 HydrophobicContact CG-CZ 4.42Å; L684-F692 WeakPolarHBondContact O-CE2 3.45Å; L690-F692 HydrophobicContact CB-CE2 3.89Å; L690-F692 HydrophobicContact CB-CZ 4.31Å; L690-F692 HydrophobicContact CD1-CE2 4.1Å; L690-F692 HydrophobicContact CD1-CZ 3.84Å; F692-L695 HydrophobicContact CB-CB 4.17Å; F692-L1011 HydrophobicContact CZ-CD2 4.28Å; F692-F1014 HydrophobicContact CE1-CD2 4.15Å; F692-F1014 HydrophobicContact CE1-CG 4.48Å
693N83.8Confident90.3Very high30 Ų3020.8 Ų20.816%0.1611%0.111CC..SBendtrans-86.3-30177.7-74.5-25.1000112.6K439 T663 V664 N665 K691K439-N693 HydrophobicContact CD-CB 4.36Å; T663-N693 WeakPolarHBondContact CG2-ND2 3.45Å; V664-N693 PolarHBondContact O-N 3.48Å; N665-N693 PolarHBondContact OD1-ND2 3Å; K691-N693 WeakPolarHBondContact CE-OD1 3.24Å; K691-N693 PolarHBondContact NZ-OD1 3Å
694N85.9Confident89.6Confident14 Ų1422 Ų228%0.07512%0.119CC..SBendtrans-124.748.3-168.2-66.4-26000112.1K439 N665 K667 I668K439-N694 PolarHBondContact NZ-ND2 3.35Å; N665-N694 PolarHBondContact O-ND2 3.1Å; K667-N694 HydrophobicContact CG-CB 4.05Å; I668-N694 PolarHBondContact N-O 3.43Å
695L90.8Very high88.5Confident3 Ų322.7 Ų22.72%0.01613%0.126CC..EExtended strand (participates in β ladder)trans-94114175.6-173.659.9000110.3I668 L681 L684 V685 F692 V737 N738I668-L695 HydrophobicContact CB-CD1 3.81Å; I668-L695 HydrophobicContact CG2-CD1 3.64Å; L681-L695 HydrophobicContact CD2-CD1 3.7Å; L681-L695 HydrophobicContact CD2-CD2 3.74Å; L681-L695 HydrophobicContact CD2-CG 3.7Å; L684-L695 HydrophobicContact CB-CD2 4.48Å; L684-L695 HydrophobicContact CD1-CD1 4.22Å; V685-L695 HydrophobicContact CG2-CD2 4.3Å; F692-L695 HydrophobicContact CB-CB 4.17Å; L695-V737 HydrophobicContact CD2-CG2 3.96Å; L695-V737 HydrophobicContact CG-CG1 4.49Å; L695-V737 HydrophobicContact CG-CG2 4.29Å; L695-N738 PolarHBondContact O-N 3.35Å
696T92.2Very high87.1Confident17 Ų1727.9 Ų27.910%0.10415%0.147CC..EExtended strand (participates in β ladder)trans-126.2136.3-173.3-52.80000111.8I668 I669 V670 N738 V740I668-T696 PolarHBondContact O-N 2.87Å; I669-T696 HydrophobicContact CD1-CG2 4.3Å; V670-T696 PolarHBondContact N-O 3.01Å; T696-N738 CarbonylContact C-O 3.57Å; T696-N738 VanDerWaalsContact CA-O 3.28Å; T696-N738 WeakPolarHBondContact CA-O 3.34Å; T696-N738 HydrophobicContact CG2-CB 4.22Å; T696-V740 HydrophobicContact CG2-CG2 3.68Å
697L94.9Very high85.5Confident0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-107.8122.9171.7175.367.1000110.1V670 A673 L681 L703 V737 N738 V739 V740V670-L697 HydrophobicContact CB-CD1 4.15Å; V670-L697 HydrophobicContact CG1-CD1 4.06Å; V670-L697 CarbonylContact O-C 3.56Å; V670-L697 WeakPolarHBondContact O-CA 3.46Å; A673-L697 HydrophobicContact CB-CD1 4.4Å; A673-L697 HydrophobicContact CB-CD2 4.03Å; L681-L697 HydrophobicContact CD1-CB 4.22Å; L681-L697 HydrophobicContact CD1-CD1 4.25Å; L681-L697 HydrophobicContact CD1-CD2 4.17Å; L681-L697 HydrophobicContact CD1-CG 4.45Å; L697-L703 HydrophobicContact CD2-CD2 3.36Å; L697-L703 HydrophobicContact CD2-CG 3.83Å; L697-V737 HydrophobicContact CB-CG1 3.87Å; L697-N738 PolarHBondContact N-O 3.07Å; L697-V739 WeakPolarHBondContact O-CA 3.4Å; L697-V740 PolarHBondContact O-N 3.38Å
698I94.1Very high83.7Confident1 Ų133.4 Ų33.41%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-96.5121.4168.1-61170.3000108I669 V670 V671 G672 V740 V754 L756 V762I669-I698 HydrophobicContact CG2-CD1 3.42Å; I669-I698 VanDerWaalsContact CG2-CD1 3.42Å; I669-I698 HydrophobicContact CG2-CG1 4.02Å; V670-I698 PolarHBondContact O-N 2.86Å; V671-I698 HydrophobicContact CG2-CB 4.4Å; V671-I698 HydrophobicContact CG2-CD1 4.25Å; G672-I698 PolarHBondContact N-O 2.92Å; I698-V740 WeakPolarHBondContact CA-O 3.46Å; I698-V740 HydrophobicContact CG1-CB 4.26Å; I698-V754 HydrophobicContact CD1-CB 4.28Å; I698-V754 HydrophobicContact CD1-CG1 4.2Å; I698-L756 HydrophobicContact CD1-CD2 4.24Å; I698-L756 HydrophobicContact CG2-CD2 3.58Å; I698-V762 HydrophobicContact CD1-CB 4.1Å; I698-V762 HydrophobicContact CD1-CG1 4.21Å; I698-V762 HydrophobicContact CD1-CG2 4.17Å
699S92.2Very high81.8Confident7 Ų732.4 Ų32.45%0.04917%0.165CC..EExtended strand (participates in β ladder)trans-151146.3-179176.90000111.2A673 H701 G702 V740 V741 G742A673-S699 WeakPolarHBondContact CB-OG 3.29Å; S699-H701 PolarHBondContact O-N 2.86Å; S699-G702 WeakPolarHBondContact CB-O 3.29Å; S699-G702 PolarHBondContact O-N 3.2Å; S699-G702 PolarHBondContact OG-N 2.86Å; S699-G702 PolarHBondContact OG-O 2.84Å; S699-V740 PolarHBondContact N-O 3.39Å; S699-V740 VanDerWaalsContact N-O 3.15Å; S699-V741 CarbonylContact O-C 3.52Å; S699-V741 WeakPolarHBondContact O-CA 3.45Å; S699-G742 CarbonylContact C-O 3.58Å; S699-G742 VanDerWaalsContact C-O 3.23Å; S699-G742 PolarHBondContact O-N 2.95Å
700T89Confident79.9Confident39 Ų3935.1 Ų35.124%0.23918%0.181CC..SBendtrans-55.9-36.9-179.943.20000113V741 G742 R743 E815T700-V741 WeakPolarHBondContact O-CG1 3.46Å; T700-G742 PolarHBondContact N-O 2.77Å; T700-R743 HydrophobicContact CG2-CB 4.14Å; T700-R743 HydrophobicContact CG2-CG 4.23Å; T700-E815 PolarHBondContact OG1-OE1 3.41Å; T700-E815 VanDerWaalsContact OG1-OE1 3.12Å
701H86.5Confident78.3Confident72 Ų7240 Ų4033%0.33321%0.211SC..SBendtrans-125.412.4-177.3-62.5-31.4000112.8S699 E815 E817 K821S699-H701 PolarHBondContact O-N 2.86Å; H701-E815 IonicContact CD2-OE1 3.84Å; H701-E815 PolarHBondContact CD2-OE1 3.25Å; H701-E815 IonicContact CD2-OE2 3.31Å; H701-E815 IonicContact CG-OE1 3.94Å; H701-E815 IonicContact NE2-OE1 3.6Å; H701-E815 PolarHBondContact NE2-OE1 2.81Å; H701-E817 WeakPolarHBondContact CD2-CB 3.24Å; H701-K821 PolarHBondContact NE2-NZ 3.42Å
702G87.2Confident76.7Confident3 Ų341.1 Ų41.13%0.03122%0.217CC..  trans76.8-151.4-176.900000113.5S699 V739S699-G702 WeakPolarHBondContact CB-O 3.29Å; S699-G702 PolarHBondContact O-N 3.2Å; S699-G702 PolarHBondContact OG-N 2.86Å; S699-G702 PolarHBondContact OG-O 2.84Å; G702-V739 VanDerWaalsContact CA-CG1 3.44Å
703L86Confident75.1Confident14 Ų1440.3 Ų40.37%0.07321%0.214CC..SBendtrans-71.2140.3175.9-78.3167.1000111.7I678 L697 K706 L733 C734 V739I678-L703 HydrophobicContact CD1-CD2 3.93Å; L697-L703 HydrophobicContact CD2-CD2 3.36Å; L697-L703 HydrophobicContact CD2-CG 3.83Å; L703-K706 WeakPolarHBondContact O-CG 3.37Å; L703-L733 HydrophobicContact CD1-CB 3.96Å; L703-L733 HydrophobicContact CD2-CB 4.17Å; L703-L733 HydrophobicContact CD2-CD1 4.13Å; L703-C734 HydrophobicContact CD1-CB 3.85Å; L703-V739 HydrophobicContact CD1-CG2 3.56Å; L703-V739 HydrophobicContact CG-CG2 3.66Å
704P82.4Confident73.8Confident35 Ų3542.3 Ų42.323%0.22722%0.219CC..THydrogen-bonded Turntrans-67164.2172.530.3-36.4000111.8I678 K706 Y728I678-P704 HydrophobicContact CD1-CG 3.91Å; I678-P704 HydrophobicContact CG1-CG 4.12Å; P704-K706 VanDerWaalsContact C-N 3.27Å; P704-K706 PolarHBondContact O-N 2.7Å; P704-Y728 HydrophobicContact CB-CD2 4.43Å; P704-Y728 HydrophobicContact CB-CE1 4.12Å; P704-Y728 HydrophobicContact CB-CE2 3.88Å; P704-Y728 HydrophobicContact CG-CD1 3.99Å; P704-Y728 HydrophobicContact CG-CE1 3.38Å; P704-Y728 HydrophobicContact CG-CE2 4.08Å; P704-Y728 VanDerWaalsContact CG-CZ 3.43Å
705G70.6Confident73.4Confident14 Ų1444.1 Ų44.114%0.14423%0.226CC..THydrogen-bonded Turntrans76.91.6176.200000115.8K707G705-K707 VanDerWaalsContact C-N 3.29Å; G705-K707 PolarHBondContact O-N 3.32Å
706K64Low73.3Confident123 Ų12344 Ų4454%0.53523%0.226SC..SBendtrans-63.9-33175.4-76-177.4179.4-176.50113.2L703 P704L703-K706 WeakPolarHBondContact O-CG 3.37Å; P704-K706 VanDerWaalsContact C-N 3.27Å; P704-K706 PolarHBondContact O-N 2.7Å
707K60.3Low73.2Confident65 Ų6545 Ų4528%0.28323%0.23SC..SBendtrans-101.2102.8171.2-62.6176.5-178.2172.30105.5G705 L709 E817G705-K707 VanDerWaalsContact C-N 3.29Å; G705-K707 PolarHBondContact O-N 3.32Å; K707-L709 HydrophobicContact CB-CD1 4.15Å; K707-L709 HydrophobicContact CB-CD2 3.93Å; K707-L709 HydrophobicContact CB-CG 3.75Å; K707-L709 HydrophobicContact CD-CD2 4.43Å; K707-L709 PolarHBondContact O-N 2.93Å; K707-E817 IonicContact NZ-OE1 2.66Å; K707-E817 PolarHBondContact NZ-OE1 3.21Å; K707-E817 IonicContact NZ-OE2 3.57Å; K707-E817 PolarHBondContact NZ-OE2 3.33Å
708L52.4Low73.1Confident97 Ų9746.2 Ų46.251%0.50824%0.24SC..  trans-61.594.5160.3-66173.6000105R596 D725R596-L708 PolarHBondContact NH2-O 3.16Å; R596-L708 VanDerWaalsContact NH2-O 3.07Å; L708-D725 HydrophobicContact CD2-CB 4Å
709L50.4Low72.9Confident16 Ų1648.4 Ų48.48%0.08426%0.256CS..  trans-85.5148.5-179.1-72.5162.9000107.6K707 Q713 E816 F820K707-L709 HydrophobicContact CB-CD1 4.15Å; K707-L709 HydrophobicContact CB-CD2 3.93Å; K707-L709 HydrophobicContact CB-CG 3.75Å; K707-L709 HydrophobicContact CD-CD2 4.43Å; K707-L709 PolarHBondContact O-N 2.93Å; L709-Q713 HydrophobicContact CB-CB 4.16Å; L709-Q713 HydrophobicContact CB-CG 4.23Å; L709-Q713 VanDerWaalsContact CD1-OE1 3.23Å; L709-Q713 VanDerWaalsContact CD2-CD 3.47Å; L709-Q713 VanDerWaalsContact CG-OE1 3.28Å; L709-E816 VanDerWaalsContact CD1-CD 3.43Å; L709-E816 HydrophobicContact CD1-CG 3.2Å; L709-E816 WeakPolarHBondContact CD1-OE1 3.32Å; L709-F820 HydrophobicContact CD2-CD2 3.91Å; L709-F820 HydrophobicContact CD2-CE2 4.41Å
710D49.6Very low72.8Confident109 Ų10950.3 Ų50.358%0.58327%0.265SS*.  trans-59.6146.3175-145.5-11.9000109.3E712 Q713D710-E712 PolarHBondContact O-N 2.84Å; D710-Q713 PolarHBondContact O-N 3.33Å
711T55.5Low72.9Confident111 Ų11151.8 Ų51.868%0.68127%0.269SS*.THydrogen-bonded Turntrans-51.4-21.2-171.5-22.80000113.9
712E54.2Low73Confident66 Ų6648.8 Ų48.831%0.30826%0.256SS..THydrogen-bonded Turntrans-68.8-30.7179.4-57.1-144.1127.700114.6D710 K715D710-E712 PolarHBondContact O-N 2.84Å; E712-K715 PolarHBondContact O-N 3.03Å
713Q54.8Low73.1Confident10 Ų1049.4 Ų49.45%0.04726%0.258CS..G310 helixtrans-78.9-25.1-170.8-50.6-164.63.700113.4L709 D710 K715 L823L709-Q713 HydrophobicContact CB-CB 4.16Å; L709-Q713 HydrophobicContact CB-CG 4.23Å; L709-Q713 VanDerWaalsContact CD1-OE1 3.23Å; L709-Q713 VanDerWaalsContact CD2-CD 3.47Å; L709-Q713 VanDerWaalsContact CG-OE1 3.28Å; D710-Q713 PolarHBondContact O-N 3.33Å; Q713-K715 VanDerWaalsContact C-N 3.29Å; Q713-L823 HydrophobicContact CG-CD2 3.78Å
714R56.8Low73.1Confident72 Ų7252 Ų5227%0.27227%0.272SS..G310 helixtrans-83.9-5178.3-67.5-173.1172.7-1531.6113.4F716 D725 E816R714-F716 VanDerWaalsContact C-N 3.26Å; R714-F716 PolarHBondContact O-N 3.33Å; R714-D725 WeakPolarHBondContact CD-OD1 3.38Å; R714-D725 IonicContact CZ-OD1 3.78Å; R714-D725 IonicContact CZ-OD2 3.6Å; R714-D725 IonicContact NE-OD1 2.97Å; R714-D725 PolarHBondContact NE-OD1 2.85Å; R714-D725 IonicContact NE-OD2 3.39Å; R714-D725 PolarHBondContact NE-OD2 3.24Å; R714-D725 VanDerWaalsContact NH1-N 3.17Å; R714-D725 IonicContact NH1-OD1 3.88Å; R714-D725 PolarHBondContact NH1-OD1 3.12Å; R714-D725 IonicContact NH1-OD2 3.35Å; R714-D725 PolarHBondContact NH1-OD2 2.9Å; R714-D725 IonicContact NH2-OD1 2.7Å; R714-D725 PolarHBondContact NH2-OD1 3.33Å; R714-D725 IonicContact NH2-OD2 2.94Å; R714-D725 PolarHBondContact NH2-OD2 2.92Å; R714-E816 IonicContact CZ-OE1 3.23Å; R714-E816 IonicContact CZ-OE2 2.66Å; R714-E816 IonicContact NE-OE1 3.24Å; R714-E816 PolarHBondContact NE-OE1 2.81Å; R714-E816 VanDerWaalsContact NH2-CD 3.32Å; R714-E816 IonicContact NH2-OE1 3.84Å; R714-E816 PolarHBondContact NH2-OE1 2.81Å; R714-E816 IonicContact NH2-OE2 3.39Å; R714-E816 PolarHBondContact NH2-OE2 2.89Å; R714-E816 VanDerWaalsContact NH2-OE2 3.15Å
715K76.9Confident73Confident53 Ų5352 Ų5223%0.2327%0.27CS..G310 helixtrans-72-19.2178.8-62.4-179.3-178.7175.20113E712 Q713 L717 T848 T852 I1044E712-K715 PolarHBondContact O-N 3.03Å; Q713-K715 VanDerWaalsContact C-N 3.29Å; K715-L717 PolarHBondContact O-N 3.31Å; K715-T848 CarbonylContact O-C 3.38Å; K715-T848 WeakPolarHBondContact O-CB 3.19Å; K715-T852 HydrophobicContact CB-CG2 4.06Å; K715-T852 WeakPolarHBondContact CB-OG1 3.24Å; K715-T852 PolarHBondContact O-OG1 2.98Å; K715-I1044 HydrophobicContact CD-CD1 4.24Å; K715-I1044 HydrophobicContact CG-CD1 4.29Å
716F88.8Confident73.6Confident0 Ų055.7 Ų55.70%028%0.282CS..SBendtrans-63.2-40.8-178.6-80.1-74.7000113.2R714 L813 C819 L823 I826 T848 T849 T852 L853 L856 F935R714-F716 VanDerWaalsContact C-N 3.26Å; R714-F716 PolarHBondContact O-N 3.33Å; F716-L813 HydrophobicContact CB-CD1 3.7Å; F716-L813 HydrophobicContact CD1-CD1 3.59Å; F716-L813 HydrophobicContact CE1-CD1 4.38Å; F716-L813 HydrophobicContact CG-CD1 3.73Å; F716-C819 HydrophobicContact CB-CB 4.47Å; F716-C819 HydrophobicContact CD2-CB 4.03Å; F716-L823 HydrophobicContact CE2-CD1 4.34Å; F716-I826 HydrophobicContact CZ-CD1 4.06Å; F716-T848 PolarHBondContact O-OG1 3.45Å; F716-T849 HydrophobicContact CD1-CG2 3.85Å; F716-T849 HydrophobicContact CE1-CG2 4.19Å; F716-T849 PolarHBondContact O-N 3.3Å; F716-T849 PolarHBondContact O-OG1 3.28Å; F716-T852 HydrophobicContact CD1-CG2 3.94Å; F716-T852 HydrophobicContact CD2-CG2 3.82Å; F716-T852 HydrophobicContact CE1-CG2 3.76Å; F716-T852 HydrophobicContact CE2-CG2 3.65Å; F716-T852 HydrophobicContact CG-CG2 3.96Å; F716-T852 HydrophobicContact CZ-CG2 3.61Å; F716-T852 PolarHBondContact N-OG1 3.41Å; F716-L853 HydrophobicContact CE1-CD2 4.49Å; F716-L856 HydrophobicContact CE2-CD1 4.43Å; F716-L856 HydrophobicContact CZ-CD1 3.9Å; F716-F935 HydrophobicContact CE1-CE1 4.34Å; F716-F935 HydrophobicContact CE1-CZ 4.2Å
717L91.4Very high74.8Confident39 Ų3951.9 Ų51.920%0.20427%0.268CS..SBendtrans-106.7148.7-176.2-60.6177.8000110.8K715 L813 D845 F937K715-L717 PolarHBondContact O-N 3.31Å; L717-L813 HydrophobicContact CD2-CB 3.91Å; L717-L813 WeakPolarHBondContact CD2-O 3.46Å; L717-D845 HydrophobicContact CD2-CB 4.11Å; L717-F937 HydrophobicContact CD2-CE1 4.32Å
718A91.7Very high76.1Confident25 Ų2550.5 Ų50.521%0.20726%0.261CS..  trans-68.7151.3170.300000111.2I844 D845 T848 G1042A718-I844 HydrophobicContact CB-CB 4.32Å; A718-I844 HydrophobicContact CB-CG1 4.13Å; A718-I844 HydrophobicContact CB-CG2 3.38Å; A718-D845 WeakPolarHBondContact CB-OD1 3.48Å; A718-D845 PolarHBondContact N-OD1 3.32Å; A718-T848 HydrophobicContact CB-CG2 4.39Å; A718-G1042 CarbonylContact C-O 3.58Å; A718-G1042 WeakPolarHBondContact CA-O 3.48Å; A718-G1042 VanDerWaalsContact CB-O 3.3Å; A718-G1042 WeakPolarHBondContact CB-O 3.21Å
719S90.3Very high77.6Confident47 Ų4746.4 Ų46.433%0.32924%0.241SC..BIsolated β-bridgetrans-96.5135.1176.1-178.60000110.4H721 Q1041 G1042S719-H721 VanDerWaalsContact C-N 3.31Å; S719-H721 PolarHBondContact OG-N 2.76Å; S719-Q1041 CarbonylContact O-C 3.55Å; S719-G1042 PolarHBondContact N-O 3.22Å; S719-G1042 PolarHBondContact O-N 3.39Å
720D90.3Very high79.5Confident47 Ų4746.9 Ų46.925%0.25124%0.244SC..  trans-92.53.1166.970.4-5.2000112.5N675 C722 I1040N675-D720 PolarHBondContact ND2-OD1 2.76Å; N675-D720 VanDerWaalsContact ND2-OD1 3.12Å; N675-D720 PolarHBondContact ND2-OD2 2.94Å; D720-C722 VanDerWaalsContact CG-SG 3.5Å; D720-C722 PolarHBondContact O-N 3.26Å; D720-C722 VanDerWaalsContact O-N 3.11Å; D720-C722 WeakPolarHBondContact OD1-CB 3.44Å; D720-C722 PolarHBondContact OD1-N 2.99Å; D720-C722 PolarHBondContact OD2-SG 3.26Å; D720-I1040 WeakPolarHBondContact CA-O 3.41Å
721H90.8Very high81.3Confident70 Ų7041.9 Ų41.932%0.32422%0.217SC..SBendtrans54.223.7-177.5-66.1-95.4000114.5S719 I1040 I1114S719-H721 VanDerWaalsContact C-N 3.31Å; S719-H721 PolarHBondContact OG-N 2.76Å; H721-I1040 HydrophobicContact CB-CG2 4.09Å; H721-I1114 HydrophobicContact CB-CD1 3.99Å
722C89.8Confident82.7Confident9 Ų937.1 Ų37.16%0.06119%0.188CC..SBendtrans-74.1-46.9174.6-72.20000112.3N675 D720 K1000N675-C722 HydrophobicContact CB-CB 4.14Å; D720-C722 VanDerWaalsContact CG-SG 3.5Å; D720-C722 PolarHBondContact O-N 3.26Å; D720-C722 VanDerWaalsContact O-N 3.11Å; D720-C722 WeakPolarHBondContact OD1-CB 3.44Å; D720-C722 PolarHBondContact OD1-N 2.99Å; D720-C722 PolarHBondContact OD2-SG 3.26Å; C722-K1000 HydrophobicContact CB-CB 4.25Å; C722-K1000 PolarHBondContact O-NZ 2.65Å
723F89.4Confident84.3Confident16 Ų1634.3 Ų34.37%0.0718%0.175CC..  trans-146.4144.6-178.7-60.1-77.3000111.2N675 I678 E682 D727 Y728 M731 K1000N675-F723 HydrophobicContact CB-CD2 4.27Å; N675-F723 HydrophobicContact CB-CE2 4.38Å; N675-F723 WeakPolarHBondContact O-CE2 3.32Å; I678-F723 HydrophobicContact CB-CD2 4.44Å; I678-F723 HydrophobicContact CB-CE2 4.14Å; I678-F723 HydrophobicContact CB-CZ 4.48Å; I678-F723 HydrophobicContact CG2-CD1 4.24Å; I678-F723 HydrophobicContact CG2-CD2 4.05Å; I678-F723 HydrophobicContact CG2-CE1 4.04Å; I678-F723 HydrophobicContact CG2-CE2 3.86Å; I678-F723 HydrophobicContact CG2-CG 4.25Å; I678-F723 HydrophobicContact CG2-CZ 3.85Å; E682-F723 VanDerWaalsContact OE2-CE1 3.23Å; E682-F723 WeakPolarHBondContact OE2-CE1 3.4Å; E682-F723 VanDerWaalsContact OE2-CZ 3.32Å; E682-F723 WeakPolarHBondContact OE2-CZ 3.3Å; F723-D727 WeakPolarHBondContact CA-OD2 3.37Å; F723-D727 HydrophobicContact CD1-CB 4.24Å; F723-Y728 HydrophobicContact CB-CE1 3.96Å; F723-Y728 HydrophobicContact CB-CE2 4.29Å; F723-Y728 HydrophobicContact CG-CE1 4.31Å; F723-M731 HydrophobicContact CD1-SD 4.19Å; F723-M731 HydrophobicContact CE1-CE 4.43Å; F723-M731 HydrophobicContact CE1-SD 4Å; F723-K1000 HydrophobicContact CE1-CD 4.48Å; F723-K1000 HydrophobicContact CE2-CG 4.5Å; F723-K1000 HydrophobicContact CZ-CD 4.1Å; F723-K1000 HydrophobicContact CZ-CG 4.2Å
724N84.9Confident85.7Confident69 Ų6937.8 Ų37.837%0.36920%0.2SC..  trans-126.117917266.157.9000111.4K726 D727 Y728N724-K726 VanDerWaalsContact C-N 3.27Å; N724-K726 PolarHBondContact O-N 3.37Å; N724-K726 VanDerWaalsContact OD1-CA 3.31Å; N724-K726 WeakPolarHBondContact OD1-CA 3.34Å; N724-K726 WeakPolarHBondContact OD1-CB 3.14Å; N724-K726 PolarHBondContact OD1-N 3.07Å; N724-D727 PolarHBondContact N-OD2 3.36Å; N724-D727 PolarHBondContact ND2-OD2 3.28Å; N724-D727 WeakPolarHBondContact O-CB 3.42Å; N724-D727 PolarHBondContact O-N 3.48Å; N724-D727 VanDerWaalsContact O-N 3.12Å; N724-D727 PolarHBondContact OD1-N 3.16Å; N724-Y728 WeakPolarHBondContact O-CD2 3.28Å; N724-Y728 PolarHBondContact O-N 3.08Å; N724-Y728 VanDerWaalsContact O-N 3.14Å
725D80.1Confident86.9Confident34 Ų3436 Ų3618%0.18220%0.198CC..Hα-helixtrans-54.8-43179.2-55.566.8000112.6L708 R714 D727 Y728 A729L708-D725 HydrophobicContact CD2-CB 4Å; R714-D725 WeakPolarHBondContact CD-OD1 3.38Å; R714-D725 IonicContact CZ-OD1 3.78Å; R714-D725 IonicContact CZ-OD2 3.6Å; R714-D725 IonicContact NE-OD1 2.97Å; R714-D725 PolarHBondContact NE-OD1 2.85Å; R714-D725 IonicContact NE-OD2 3.39Å; R714-D725 PolarHBondContact NE-OD2 3.24Å; R714-D725 VanDerWaalsContact NH1-N 3.17Å; R714-D725 IonicContact NH1-OD1 3.88Å; R714-D725 PolarHBondContact NH1-OD1 3.12Å; R714-D725 IonicContact NH1-OD2 3.35Å; R714-D725 PolarHBondContact NH1-OD2 2.9Å; R714-D725 IonicContact NH2-OD1 2.7Å; R714-D725 PolarHBondContact NH2-OD1 3.33Å; R714-D725 IonicContact NH2-OD2 2.94Å; R714-D725 PolarHBondContact NH2-OD2 2.92Å; D725-D727 VanDerWaalsContact C-N 3.32Å; D725-Y728 PolarHBondContact O-N 2.9Å; D725-A729 PolarHBondContact O-N 2.73Å
726K83.5Confident87.3Confident92 Ų9235.8 Ų35.840%0.420%0.196SC..Hα-helixtrans-64.5-42.7-179.4-58-172.8174.3-170.60109.2D643 N724 Y728 A729 L730D643-K726 IonicContact OD1-NZ 3.93Å; D643-K726 PolarHBondContact OD1-NZ 3.45Å; D643-K726 IonicContact OD2-NZ 3.05Å; D643-K726 PolarHBondContact OD2-NZ 3.28Å; N724-K726 VanDerWaalsContact C-N 3.27Å; N724-K726 PolarHBondContact O-N 3.37Å; N724-K726 VanDerWaalsContact OD1-CA 3.31Å; N724-K726 WeakPolarHBondContact OD1-CA 3.34Å; N724-K726 WeakPolarHBondContact OD1-CB 3.14Å; N724-K726 PolarHBondContact OD1-N 3.07Å; K726-Y728 VanDerWaalsContact C-N 3.35Å; K726-Y728 PolarHBondContact O-N 2.83Å; K726-A729 WeakPolarHBondContact O-CB 3.35Å; K726-A729 PolarHBondContact O-N 2.78Å; K726-L730 WeakPolarHBondContact O-CB 3.38Å; K726-L730 WeakPolarHBondContact O-CG 3.44Å; K726-L730 PolarHBondContact O-N 3.28Å
727D88.6Confident87.2Confident43 Ų4336 Ų3623%0.2320%0.197CC..Hα-helixtrans-59.1-45.3177.4-57.2-34.2000111.4F723 N724 D725 A729 L730 M731F723-D727 WeakPolarHBondContact CA-OD2 3.37Å; F723-D727 HydrophobicContact CD1-CB 4.24Å; N724-D727 PolarHBondContact N-OD2 3.36Å; N724-D727 PolarHBondContact ND2-OD2 3.28Å; N724-D727 WeakPolarHBondContact O-CB 3.42Å; N724-D727 PolarHBondContact O-N 3.48Å; N724-D727 VanDerWaalsContact O-N 3.12Å; N724-D727 PolarHBondContact OD1-N 3.16Å; D725-D727 VanDerWaalsContact C-N 3.32Å; D727-A729 VanDerWaalsContact C-N 3.34Å; D727-A729 PolarHBondContact O-N 3.11Å; D727-L730 PolarHBondContact O-N 3.06Å; D727-M731 WeakPolarHBondContact O-CB 3.11Å; D727-M731 WeakPolarHBondContact O-CG 3.48Å; D727-M731 PolarHBondContact O-N 3.21Å
728Y87.6Confident87Confident35 Ų3538.4 Ų38.414%0.13721%0.21CC..Hα-helixtrans-61.7-40.8176.5-64.1-53000112.7I678 P704 F723 N724 D725 K726 S732I678-Y728 HydrophobicContact CG1-CE1 4.36Å; I678-Y728 HydrophobicContact CG2-CE1 3.9Å; P704-Y728 HydrophobicContact CB-CD2 4.43Å; P704-Y728 HydrophobicContact CB-CE1 4.12Å; P704-Y728 HydrophobicContact CB-CE2 3.88Å; P704-Y728 HydrophobicContact CG-CD1 3.99Å; P704-Y728 HydrophobicContact CG-CE1 3.38Å; P704-Y728 HydrophobicContact CG-CE2 4.08Å; P704-Y728 VanDerWaalsContact CG-CZ 3.43Å; F723-Y728 HydrophobicContact CB-CE1 3.96Å; F723-Y728 HydrophobicContact CB-CE2 4.29Å; F723-Y728 HydrophobicContact CG-CE1 4.31Å; N724-Y728 WeakPolarHBondContact O-CD2 3.28Å; N724-Y728 PolarHBondContact O-N 3.08Å; N724-Y728 VanDerWaalsContact O-N 3.14Å; D725-Y728 PolarHBondContact O-N 2.9Å; K726-Y728 VanDerWaalsContact C-N 3.35Å; K726-Y728 PolarHBondContact O-N 2.83Å; Y728-S732 PolarHBondContact O-N 3.36Å; Y728-S732 VanDerWaalsContact O-N 3.07Å
729A85Confident86.7Confident11 Ų1139.3 Ų39.39%0.09121%0.213CC..Hα-helixtrans-65.4-42.3175.800000112.7P593 Y647 A648 D725 K726 D727 M731P593-A729 HydrophobicContact CG-CB 3.45Å; P593-A729 VanDerWaalsContact CG-CB 3.45Å; Y647-A729 CarbonylContact C-O 3.37Å; A648-A729 PolarHBondContact N-O 2.82Å; D725-A729 PolarHBondContact O-N 2.73Å; K726-A729 WeakPolarHBondContact O-CB 3.35Å; K726-A729 PolarHBondContact O-N 2.78Å; D727-A729 VanDerWaalsContact C-N 3.34Å; D727-A729 PolarHBondContact O-N 3.11Å; A729-M731 VanDerWaalsContact C-N 3.31Å; A729-M731 PolarHBondContact O-N 3.07Å
730L88.8Confident86.6Confident27 Ų2738.7 Ų38.714%0.14121%0.207CC..Hα-helixtrans-71.1-25-179.4-67.2170.3000112.9Y539 P620 Y647 A648 K726 D727Y539-L730 HydrophobicContact CE1-CD2 4.4Å; P620-L730 HydrophobicContact CB-CB 3.94Å; P620-L730 HydrophobicContact CB-CD1 3.93Å; P620-L730 HydrophobicContact CB-CG 4.36Å; P620-L730 HydrophobicContact CG-CB 3.87Å; P620-L730 HydrophobicContact CG-CD1 4.43Å; Y647-L730 VanDerWaalsContact O-CD2 3.26Å; Y647-L730 WeakPolarHBondContact O-CD2 3.4Å; A648-L730 VanDerWaalsContact CA-O 3.24Å; A648-L730 WeakPolarHBondContact CA-O 3.34Å; A648-L730 WeakPolarHBondContact CB-O 3.23Å; K726-L730 WeakPolarHBondContact O-CB 3.38Å; K726-L730 WeakPolarHBondContact O-CG 3.44Å; K726-L730 PolarHBondContact O-N 3.28Å; D727-L730 PolarHBondContact O-N 3.06Å
731M88Confident86.6Confident4 Ų439.5 Ų39.52%0.0221%0.213CC..Hα-helixtrans-88.5-36.9177.9-67.1168.146.100112.9I678 E682 F686 F723 D727 A729 L733I678-M731 HydrophobicContact CG2-CE 4.19Å; E682-M731 HydrophobicContact CB-CE 3.46Å; E682-M731 VanDerWaalsContact CB-CE 3.46Å; E682-M731 HydrophobicContact CG-CE 3.53Å; E682-M731 HydrophobicContact CG-SD 4.04Å; F686-M731 HydrophobicContact CE2-CB 4.47Å; F686-M731 HydrophobicContact CE2-CG 4.06Å; F686-M731 HydrophobicContact CZ-CG 4.37Å; F723-M731 HydrophobicContact CD1-SD 4.19Å; F723-M731 HydrophobicContact CE1-CE 4.43Å; F723-M731 HydrophobicContact CE1-SD 4Å; D727-M731 WeakPolarHBondContact O-CB 3.11Å; D727-M731 WeakPolarHBondContact O-CG 3.48Å; D727-M731 PolarHBondContact O-N 3.21Å; A729-M731 VanDerWaalsContact C-N 3.31Å; A729-M731 PolarHBondContact O-N 3.07Å; M731-L733 VanDerWaalsContact C-N 3.34Å; M731-L733 HydrophobicContact CB-CG 4.37Å; M731-L733 HydrophobicContact CE-CD1 3.68Å; M731-L733 HydrophobicContact CE-CD2 3.85Å; M731-L733 HydrophobicContact CE-CG 3.72Å; M731-L733 PolarHBondContact O-N 3.03Å
732S86.3Confident86.5Confident10 Ų1036.5 Ų36.57%0.0720%0.202CC..  trans47.451.8-176.1-166.80000113.4Y728 C734 S735Y728-S732 PolarHBondContact O-N 3.36Å; Y728-S732 VanDerWaalsContact O-N 3.07Å; S732-C734 PolarHBondContact O-N 2.85Å; S732-S735 VanDerWaalsContact O-CB 3.32Å; S732-S735 WeakPolarHBondContact O-CB 3.33Å; S732-S735 PolarHBondContact O-N 3.26Å; S732-S735 PolarHBondContact O-OG 2.93Å; S732-S735 PolarHBondContact OG-OG 3.38Å
733L86.9Confident86.6Confident8 Ų840.9 Ų40.94%0.04222%0.217CC..G310 helixtrans-55.2-28.5-179.7-71179.4000113.2I678 L681 V685 L703 M731 S735 W736 V737I678-L733 HydrophobicContact CD1-CD1 4.27Å; I678-L733 HydrophobicContact CG2-CD1 4.07Å; L681-L733 HydrophobicContact CB-CD1 4.27Å; L681-L733 HydrophobicContact CB-CD2 4.39Å; V685-L733 HydrophobicContact CB-CD2 4.37Å; V685-L733 HydrophobicContact CG2-CD2 4.07Å; L703-L733 HydrophobicContact CD1-CB 3.96Å; L703-L733 HydrophobicContact CD2-CB 4.17Å; L703-L733 HydrophobicContact CD2-CD1 4.13Å; M731-L733 VanDerWaalsContact C-N 3.34Å; M731-L733 HydrophobicContact CB-CG 4.37Å; M731-L733 HydrophobicContact CE-CD1 3.68Å; M731-L733 HydrophobicContact CE-CD2 3.85Å; M731-L733 HydrophobicContact CE-CG 3.72Å; M731-L733 PolarHBondContact O-N 3.03Å; L733-S735 PolarHBondContact O-N 3.31Å; L733-S735 VanDerWaalsContact O-N 3.12Å; L733-W736 PolarHBondContact O-N 3.01Å; L733-V737 HydrophobicContact CB-CG2 4.44Å; L733-V737 WeakPolarHBondContact O-CB 3.48Å; L733-V737 PolarHBondContact O-N 3.4Å
734C83.3Confident86.9Confident83 Ų8340.3 Ų40.356%0.56122%0.215SC*.G310 helixtrans-63.3-14.9176.861.30000114L703 S732 W736L703-C734 HydrophobicContact CD1-CB 3.85Å; S732-C734 PolarHBondContact O-N 2.85Å; C734-W736 VanDerWaalsContact C-N 3.33Å
735S82.8Confident87.4Confident34 Ų3439.3 Ų39.324%0.23821%0.211CC..G310 helixtrans-80-17.2174.5-54.40000113S732 L733S732-S735 VanDerWaalsContact O-CB 3.32Å; S732-S735 WeakPolarHBondContact O-CB 3.33Å; S732-S735 PolarHBondContact O-N 3.26Å; S732-S735 PolarHBondContact O-OG 2.93Å; S732-S735 PolarHBondContact OG-OG 3.38Å; L733-S735 PolarHBondContact O-N 3.31Å; L733-S735 VanDerWaalsContact O-N 3.12Å
736W84.8Confident88.1Confident48 Ų4838.5 Ų38.518%0.18221%0.211CC..THydrogen-bonded Turntrans-127.4-19.1-169.9-56.4104.4000113.9L612 P617 N650 V685 L733 C734L612-W736 HydrophobicContact CD1-CH2 4.25Å; L612-W736 HydrophobicContact CD1-CZ2 4.07Å; L612-W736 HydrophobicContact CD2-CZ2 4.45Å; L612-W736 HydrophobicContact CG-CH2 3.89Å; L612-W736 HydrophobicContact CG-CZ2 4.01Å; L612-W736 HydrophobicContact CG-CZ3 4.42Å; L612-W736 WeakPolarHBondContact O-CH2 3.4Å; P617-W736 HydrophobicContact CB-CZ2 3.97Å; P617-W736 HydrophobicContact CG-CZ2 4Å; N650-W736 WeakPolarHBondContact OD1-CZ2 3.27Å; V685-W736 HydrophobicContact CB-CB 4.49Å; V685-W736 HydrophobicContact CG1-CB 3.89Å; V685-W736 VanDerWaalsContact CG1-CD1 3.42Å; V685-W736 HydrophobicContact CG1-CD2 4.23Å; V685-W736 HydrophobicContact CG1-CG 3.58Å; V685-W736 HydrophobicContact CG2-CB 3.73Å; V685-W736 HydrophobicContact CG2-CG 4.35Å; L733-W736 PolarHBondContact O-N 3.01Å; C734-W736 VanDerWaalsContact C-N 3.33Å
737V87.2Confident88.8Confident4 Ų434.8 Ų34.82%0.02420%0.195CC..SBendtrans-118.4126.4-174.8-177.20000109.5L681 V685 L695 L697 L733L681-V737 HydrophobicContact CB-CG2 4.49Å; L681-V737 HydrophobicContact CD1-CG1 4.21Å; L681-V737 HydrophobicContact CD1-CG2 4.49Å; L681-V737 HydrophobicContact CD2-CG1 4.13Å; L681-V737 HydrophobicContact CD2-CG2 4.07Å; V685-V737 HydrophobicContact CG2-CG2 4.13Å; L695-V737 HydrophobicContact CD2-CG2 3.96Å; L695-V737 HydrophobicContact CG-CG1 4.49Å; L695-V737 HydrophobicContact CG-CG2 4.29Å; L697-V737 HydrophobicContact CB-CG1 3.87Å; L733-V737 HydrophobicContact CB-CG2 4.44Å; L733-V737 WeakPolarHBondContact O-CB 3.48Å; L733-V737 PolarHBondContact O-N 3.4Å
738N86.2Confident89Confident91 Ų9135.8 Ų35.849%0.48720%0.2SC..EExtended strand (participates in β ladder)trans-70.9134.6170.8-65.5-32.2000109.1L695 T696 L697L695-N738 PolarHBondContact O-N 3.35Å; T696-N738 CarbonylContact C-O 3.57Å; T696-N738 VanDerWaalsContact CA-O 3.28Å; T696-N738 WeakPolarHBondContact CA-O 3.34Å; T696-N738 HydrophobicContact CG2-CB 4.22Å; L697-N738 PolarHBondContact N-O 3.07Å
739V86.9Confident89.4Confident44 Ų4437.7 Ų37.727%0.26721%0.207SC..EExtended strand (participates in β ladder)trans-116.8119.4-177.8-178.10000109.2L697 G702 L703 V741L697-V739 WeakPolarHBondContact O-CA 3.4Å; G702-V739 VanDerWaalsContact CA-CG1 3.44Å; L703-V739 HydrophobicContact CD1-CG2 3.56Å; L703-V739 HydrophobicContact CG-CG2 3.66Å; V739-V741 HydrophobicContact CG1-CG2 4.3Å
740V88.4Confident89.7Confident33 Ų3341.9 Ų41.920%0.224%0.242CC..EExtended strand (participates in β ladder)trans-104.6114.2172.5-178.50000107.8T696 L697 I698 S699 G742 L756 V762T696-V740 HydrophobicContact CG2-CG2 3.68Å; L697-V740 PolarHBondContact O-N 3.38Å; I698-V740 WeakPolarHBondContact CA-O 3.46Å; I698-V740 HydrophobicContact CG1-CB 4.26Å; S699-V740 PolarHBondContact N-O 3.39Å; S699-V740 VanDerWaalsContact N-O 3.15Å; V740-G742 PolarHBondContact O-N 2.91Å; V740-L756 HydrophobicContact CG1-CD1 3.46Å; V740-L756 VanDerWaalsContact CG1-CD1 3.46Å; V740-V762 HydrophobicContact CG1-CG2 4.43Å
741V88.9Confident89.7Confident64 Ų6442.8 Ų42.839%0.38825%0.254SS..EExtended strand (participates in β ladder)trans-84.2108.9-179-177.20000108.8S699 T700 V739S699-V741 CarbonylContact O-C 3.52Å; S699-V741 WeakPolarHBondContact O-CA 3.45Å; T700-V741 WeakPolarHBondContact O-CG1 3.46Å; V739-V741 HydrophobicContact CG1-CG2 4.3Å
742G89.4Confident90Very high8 Ų847 Ų478%0.08227%0.272CS..  trans178.3161.3-176.400000111.9S699 T700 V740S699-G742 CarbonylContact C-O 3.58Å; S699-G742 VanDerWaalsContact C-O 3.23Å; S699-G742 PolarHBondContact O-N 2.95Å; T700-G742 PolarHBondContact N-O 2.77Å; V740-G742 PolarHBondContact O-N 2.91Å
743R91.8Very high90.3Very high100 Ų10047.9 Ų47.938%0.37728%0.275SS..  trans-101.6132.4174.9-170.5-176.1-73.8177.9-4.3109.6T700 T745 L756 S757 E945T700-R743 HydrophobicContact CG2-CB 4.14Å; T700-R743 HydrophobicContact CG2-CG 4.23Å; R743-T745 PolarHBondContact O-N 3.38Å; R743-L756 CarbonylContact O-C 3.51Å; R743-L756 VanDerWaalsContact O-CA 3.28Å; R743-L756 WeakPolarHBondContact O-CA 3.41Å; R743-S757 PolarHBondContact N-OG 2.8Å; R743-S757 PolarHBondContact O-N 3.33Å; R743-E945 WeakPolarHBondContact CD-OE2 3.43Å; R743-E945 IonicContact CZ-OE2 3.3Å; R743-E945 IonicContact NE-OE2 3.9Å; R743-E945 IonicContact NH1-OE2 3.4Å; R743-E945 PolarHBondContact NH1-OE2 3.44Å
744M94.6Very high90.6Very high5 Ų547.5 Ų47.53%0.02527%0.273CS..EExtended strand (participates in β ladder)trans-67.9127.1172.2175.8-177.181.700110.4V671 I747 V754 L769 T946 A949V671-M744 HydrophobicContact CG1-CB 3.95Å; V671-M744 HydrophobicContact CG1-SD 4.01Å; V671-M744 HydrophobicContact CG2-SD 4.35Å; M744-I747 HydrophobicContact CE-CD1 4.2Å; M744-I747 HydrophobicContact CG-CG1 4.48Å; M744-I747 HydrophobicContact SD-CD1 3.74Å; M744-I747 HydrophobicContact SD-CG1 3.67Å; M744-V754 HydrophobicContact CB-CG1 4.09Å; M744-V754 HydrophobicContact CG-CG1 3.55Å; M744-V754 HydrophobicContact SD-CG1 3.99Å; M744-L769 HydrophobicContact CE-CD2 4.38Å; M744-L769 HydrophobicContact SD-CD2 4.19Å; M744-T946 HydrophobicContact CE-CG2 3.93Å; M744-A949 HydrophobicContact CE-CB 4.08Å
745T95.4Very high91.1Very high47 Ų4745.7 Ų45.729%0.28826%0.259SS..EExtended strand (participates in β ladder)trans-119.2-16.1178.155.50000113R743 V755 L756R743-T745 PolarHBondContact O-N 3.38Å; T745-V755 PolarHBondContact N-O 2.91Å; T745-V755 PolarHBondContact OG1-O 2.92Å; T745-L756 PolarHBondContact OG1-O 2.83Å
746G96Very high91.6Very high17 Ų1744.1 Ų44.118%0.17525%0.248CC..EExtended strand (participates in β ladder)trans-158159.7177.500000112.3V755G746-V755 PolarHBondContact N-O 3.14Å; G746-V755 PolarHBondContact O-N 2.8Å
747I97.1Very high91.9Very high15 Ų1545.2 Ų45.28%0.07726%0.263CS..EExtended strand (participates in β ladder)trans-128.2142.7170.4-61166.4000105.8M744 R749 Y764 L767 L769 L950 T953 L955 I974M744-I747 HydrophobicContact CE-CD1 4.2Å; M744-I747 HydrophobicContact CG-CG1 4.48Å; M744-I747 HydrophobicContact SD-CD1 3.74Å; M744-I747 HydrophobicContact SD-CG1 3.67Å; I747-R749 HydrophobicContact CG2-CG 4.22Å; I747-Y764 HydrophobicContact CG2-CE1 4.32Å; I747-L767 HydrophobicContact CD1-CD2 3.95Å; I747-L767 HydrophobicContact CG1-CD2 4.26Å; I747-L767 HydrophobicContact CG2-CD2 4.11Å; I747-L769 HydrophobicContact CD1-CD2 4.32Å; I747-L950 HydrophobicContact CD1-CD2 4.14Å; I747-T953 HydrophobicContact CB-CG2 3.59Å; I747-T953 HydrophobicContact CG2-CG2 4.14Å; I747-T953 WeakPolarHBondContact O-CG2 3.32Å; I747-L955 HydrophobicContact CD1-CD1 4.46Å; I747-I974 HydrophobicContact CG2-CD1 4.4Å
748D94.7Very high91.8Very high63 Ų6349.1 Ų49.134%0.33729%0.287SS..EExtended strand (participates in β ladder)trans-118.5112.8164.6-173.3-29.6000107.6A750 A751 K752 H753D748-A750 PolarHBondContact OD1-N 3.37Å; D748-A751 HydrophobicContact CB-CB 4.31Å; D748-A751 PolarHBondContact OD1-N 3.27Å; D748-K752 CarbonylContact O-C 3.53Å; D748-K752 VanDerWaalsContact O-CA 3.23Å; D748-K752 WeakPolarHBondContact O-CA 3.44Å; D748-K752 PolarHBondContact O-N 2.94Å; D748-H753 WeakPolarHBondContact CB-CE1 3.26Å; D748-H753 PolarHBondContact N-O 2.97Å; D748-H753 PolarHBondContact O-N 2.83Å; D748-H753 IonicContact OD2-CE1 3.95Å
749R94.3Very high91.7Very high75 Ų7547.4 Ų47.428%0.28329%0.29SS..THydrogen-bonded Turntrans-77.2-33.6-175.5-64.8170.656.3-159-4.8112.4I747 T953 D971 I974I747-R749 HydrophobicContact CG2-CG 4.22Å; R749-T953 WeakPolarHBondContact CD-O 3.35Å; R749-T953 PolarHBondContact NH1-O 3.42Å; R749-D971 IonicContact CZ-OD2 3.23Å; R749-D971 IonicContact NE-OD2 2.74Å; R749-D971 PolarHBondContact NE-OD2 3.08Å; R749-D971 IonicContact NH2-OD2 3.05Å; R749-D971 PolarHBondContact NH2-OD2 3.07Å; R749-I974 HydrophobicContact CG-CD1 3.98Å
750A91.5Very high91.7Very high99 Ų9948.6 Ų48.682%0.81829%0.293SS*.THydrogen-bonded Turntrans-74.4-43.1-178.100000110.3D748 K752D748-A750 PolarHBondContact OD1-N 3.37Å; A750-K752 VanDerWaalsContact C-N 3.32Å
751A89.9Confident91.7Very high47 Ų4750.8 Ų50.839%0.38830%0.303SS..THydrogen-bonded Turntrans-88.53.3175.900000113.8D748 H753D748-A751 HydrophobicContact CB-CB 4.31Å; D748-A751 PolarHBondContact OD1-N 3.27Å; A751-H753 WeakPolarHBondContact CB-ND1 3.47Å; A751-H753 PolarHBondContact O-N 2.92Å
752K93.3Very high91.7Very high91 Ų9148.7 Ų48.740%0.39629%0.29SS..THydrogen-bonded Turntrans43.757.7-179.9-62.5-174.8175.3-178.30114.6D748 A750 Y764D748-K752 CarbonylContact O-C 3.53Å; D748-K752 VanDerWaalsContact O-CA 3.23Å; D748-K752 WeakPolarHBondContact O-CA 3.44Å; D748-K752 PolarHBondContact O-N 2.94Å; A750-K752 VanDerWaalsContact C-N 3.32Å; K752-Y764 VanDerWaalsContact C-CD1 3.46Å; K752-Y764 HydrophobicContact CB-CD2 4.22Å; K752-Y764 HydrophobicContact CB-CE1 4.43Å; K752-Y764 HydrophobicContact CB-CE2 3.98Å; K752-Y764 WeakPolarHBondContact CB-O 3.25Å; K752-Y764 HydrophobicContact CG-CE2 4.23Å; K752-Y764 VanDerWaalsContact O-CD1 3.32Å; K752-Y764 WeakPolarHBondContact O-CD1 3.29Å; K752-Y764 PolarHBondContact O-N 2.86Å
753H92.1Very high91.7Very high29 Ų2949.9 Ų49.913%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-140.5160.3176.572.2-103000113.8D748 A751 I761 V762 L763 Y764D748-H753 WeakPolarHBondContact CB-CE1 3.26Å; D748-H753 PolarHBondContact N-O 2.97Å; D748-H753 PolarHBondContact O-N 2.83Å; D748-H753 IonicContact OD2-CE1 3.95Å; A751-H753 WeakPolarHBondContact CB-ND1 3.47Å; A751-H753 PolarHBondContact O-N 2.92Å; H753-I761 HydrophobicContact CB-CG2 3.61Å; H753-I761 VanDerWaalsContact CD2-CG2 3.46Å; H753-I761 WeakPolarHBondContact CD2-CG2 3.41Å; H753-V762 CarbonylContact C-O 3.48Å; H753-V762 VanDerWaalsContact CA-O 3.28Å; H753-V762 WeakPolarHBondContact CA-O 3.04Å; H753-L763 HydrophobicContact CB-CD2 3.67Å; H753-Y764 VanDerWaalsContact N-CE1 3.26Å
754V94.5Very high91.8Very high0 Ų045.4 Ų45.40%028%0.278CS..EExtended strand (participates in β ladder)trans-109.7136.3175.6-176.20000108.7I698 M744 L756 I761 V762 Y764 L767I698-V754 HydrophobicContact CD1-CB 4.28Å; I698-V754 HydrophobicContact CD1-CG1 4.2Å; M744-V754 HydrophobicContact CB-CG1 4.09Å; M744-V754 HydrophobicContact CG-CG1 3.55Å; M744-V754 HydrophobicContact SD-CG1 3.99Å; V754-L756 HydrophobicContact CG1-CD2 4.31Å; V754-I761 WeakPolarHBondContact O-CA 3.49Å; V754-V762 PolarHBondContact N-O 2.83Å; V754-V762 PolarHBondContact O-N 3.12Å; V754-Y764 HydrophobicContact CG2-CD1 3.94Å; V754-Y764 HydrophobicContact CG2-CE1 4.17Å; V754-L767 HydrophobicContact CG2-CD1 3.61Å; V754-L767 HydrophobicContact CG2-CD2 4.09Å
755V93.9Very high91.7Very high45 Ų4546.4 Ų46.427%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-101.6130.7175.2-175.90000109.2T745 G746T745-V755 PolarHBondContact N-O 2.91Å; T745-V755 PolarHBondContact OG1-O 2.92Å; G746-V755 PolarHBondContact N-O 3.14Å; G746-V755 PolarHBondContact O-N 2.8Å
756L92.8Very high91.7Very high2 Ų245.9 Ų45.91%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-98162.1180-57.4-175.4000112.3I698 V740 R743 T745 V754 T758 G759 E760 V762I698-L756 HydrophobicContact CD1-CD2 4.24Å; I698-L756 HydrophobicContact CG2-CD2 3.58Å; V740-L756 HydrophobicContact CG1-CD1 3.46Å; V740-L756 VanDerWaalsContact CG1-CD1 3.46Å; R743-L756 CarbonylContact O-C 3.51Å; R743-L756 VanDerWaalsContact O-CA 3.28Å; R743-L756 WeakPolarHBondContact O-CA 3.41Å; T745-L756 PolarHBondContact OG1-O 2.83Å; V754-L756 HydrophobicContact CG1-CD2 4.31Å; L756-T758 PolarHBondContact O-N 3.41Å; L756-G759 PolarHBondContact O-N 2.77Å; L756-E760 HydrophobicContact CB-CB 4.49Å; L756-E760 HydrophobicContact CD1-CB 4.25Å; L756-E760 PolarHBondContact N-O 3.13Å; L756-V762 HydrophobicContact CD1-CG2 4.08Å; L756-V762 HydrophobicContact CG-CG2 4.49Å
757S90.3Very high91.8Very high71 Ų7145.1 Ų45.150%0.49727%0.27SS..THydrogen-bonded Turntrans-60.5-23.4174.356.10000113.6R743R743-S757 PolarHBondContact N-OG 2.8Å; R743-S757 PolarHBondContact O-N 3.33Å
758T85.6Confident91.9Very high86 Ų8644.5 Ų44.553%0.52827%0.266SS..THydrogen-bonded Turntrans-76.1-11.3173.651.60000112.8L756 E760L756-T758 PolarHBondContact O-N 3.41Å; T758-E760 VanDerWaalsContact C-N 3.29Å; T758-E760 WeakPolarHBondContact OG1-CG 3.46Å; T758-E760 PolarHBondContact OG1-N 3.45Å; T758-E760 PolarHBondContact OG1-OE2 3.35Å
759G84.8Confident92.1Very high54 Ų5441.6 Ų41.656%0.55725%0.251SS*.SBendtrans86.1-4-170.200000113.8L756L756-G759 PolarHBondContact O-N 2.77Å
760E85.8Confident92.2Very high70 Ų7038 Ų3833%0.32724%0.237SC..  trans-70.3151.9175.8-65.8173.3129.300111.9L756 T758L756-E760 HydrophobicContact CB-CB 4.49Å; L756-E760 HydrophobicContact CD1-CB 4.25Å; L756-E760 PolarHBondContact N-O 3.13Å; T758-E760 VanDerWaalsContact C-N 3.29Å; T758-E760 WeakPolarHBondContact OG1-CG 3.46Å; T758-E760 PolarHBondContact OG1-N 3.45Å; T758-E760 PolarHBondContact OG1-OE2 3.35Å
761I89Confident92.3Very high78 Ų7834.5 Ų34.540%0.421%0.205SC..EExtended strand (participates in β ladder)trans-117.8134.1-177.5-64.1173.7000109.3H753 V754H753-I761 HydrophobicContact CB-CG2 3.61Å; H753-I761 VanDerWaalsContact CD2-CG2 3.46Å; H753-I761 WeakPolarHBondContact CD2-CG2 3.41Å; V754-I761 WeakPolarHBondContact O-CA 3.49Å
762V89.1Confident92.5Very high21 Ų2132.6 Ų32.613%0.12719%0.191CC..EExtended strand (participates in β ladder)trans-123.6116.8177.1-1750000110.1I669 I698 V740 H753 V754 L756I669-V762 HydrophobicContact CD1-CG1 3.84Å; I669-V762 HydrophobicContact CG1-CG1 4.25Å; I669-V762 HydrophobicContact CG2-CG1 4.42Å; I698-V762 HydrophobicContact CD1-CB 4.1Å; I698-V762 HydrophobicContact CD1-CG1 4.21Å; I698-V762 HydrophobicContact CD1-CG2 4.17Å; V740-V762 HydrophobicContact CG1-CG2 4.43Å; H753-V762 CarbonylContact C-O 3.48Å; H753-V762 VanDerWaalsContact CA-O 3.28Å; H753-V762 WeakPolarHBondContact CA-O 3.04Å; V754-V762 PolarHBondContact N-O 2.83Å; V754-V762 PolarHBondContact O-N 3.12Å; L756-V762 HydrophobicContact CD1-CG2 4.08Å; L756-V762 HydrophobicContact CG-CG2 4.49Å
763L89.9Confident92.5Very high33 Ų3330.4 Ų30.417%0.17318%0.182CC..EExtended strand (participates in β ladder)trans-74.7147.5178.4-58.7180000111.8K667 I669 H753K667-L763 HydrophobicContact CD-CB 4.16Å; I669-L763 WeakPolarHBondContact CG1-O 3.49Å; H753-L763 HydrophobicContact CB-CD2 3.67Å
764Y93.1Very high92.5Very high5 Ų531.7 Ų31.72%0.0219%0.188CC..  trans-137147.3176.566.5-98.6000113.4I669 I747 K752 H753 V754 L767 A973 I974I669-Y764 VanDerWaalsContact CG1-CB 3.45Å; I747-Y764 HydrophobicContact CG2-CE1 4.32Å; K752-Y764 VanDerWaalsContact C-CD1 3.46Å; K752-Y764 HydrophobicContact CB-CD2 4.22Å; K752-Y764 HydrophobicContact CB-CE1 4.43Å; K752-Y764 HydrophobicContact CB-CE2 3.98Å; K752-Y764 WeakPolarHBondContact CB-O 3.25Å; K752-Y764 HydrophobicContact CG-CE2 4.23Å; K752-Y764 VanDerWaalsContact O-CD1 3.32Å; K752-Y764 WeakPolarHBondContact O-CD1 3.29Å; K752-Y764 PolarHBondContact O-N 2.86Å; H753-Y764 VanDerWaalsContact N-CE1 3.26Å; V754-Y764 HydrophobicContact CG2-CD1 3.94Å; V754-Y764 HydrophobicContact CG2-CE1 4.17Å; Y764-L767 HydrophobicContact CD1-CB 4.16Å; Y764-L767 HydrophobicContact CD1-CD1 4.36Å; Y764-L767 HydrophobicContact CD1-CD2 4.3Å; Y764-L767 HydrophobicContact CD2-CB 3.69Å; Y764-L767 HydrophobicContact CE1-CB 4.26Å; Y764-L767 HydrophobicContact CE1-CD2 3.87Å; Y764-L767 HydrophobicContact CE2-CB 3.82Å; Y764-L767 HydrophobicContact CG-CB 3.87Å; Y764-A973 HydrophobicContact CE2-CB 4.4Å; Y764-I974 HydrophobicContact CE2-CG1 4.32Å
765D93.3Very high92.5Very high26 Ų2632 Ų3214%0.13919%0.189CC..SBendtrans-93.2-39.8160.3-67.4-51.8000110A666 K667A666-D765 WeakPolarHBondContact CA-OD2 3.41Å; A666-D765 HydrophobicContact CB-CB 4.41Å; K667-D765 PolarHBondContact N-OD2 3.45Å; K667-D765 PolarHBondContact O-N 3.45Å
766H95.9Very high92.2Very high37 Ų3732.5 Ų32.517%0.17119%0.189CC..EExtended strand (participates in β ladder)trans-128.9125.6173.8-62.4-73.3000110.2K667 I669 I768 A973 M1010 F1014K667-H766 PolarHBondContact O-N 3.15Å; K667-H766 VanDerWaalsContact O-N 3.12Å; I669-H766 PolarHBondContact N-O 3.38Å; H766-I768 HydrophobicContact CB-CD1 4.24Å; H766-A973 WeakPolarHBondContact CA-O 3.42Å; H766-M1010 HydrophobicContact CB-CE 3.95Å; H766-F1014 AromaticContact CD2-CE1 3.92Å; H766-F1014 AromaticContact CD2-CZ 3.59Å; H766-F1014 AromaticContact NE2-CE1 3.78Å; H766-F1014 AromaticContact NE2-CZ 3.76Å
767L98Very high92.1Very high1 Ų133.9 Ų33.91%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-106.9127.1176.3-177.363.1000110.1I669 V671 I747 V754 Y764 L769 A973 I974 R975I669-L767 HydrophobicContact CB-CD1 4.13Å; I669-L767 HydrophobicContact CG2-CD1 4.06Å; V671-L767 HydrophobicContact CG2-CD1 3.64Å; I747-L767 HydrophobicContact CD1-CD2 3.95Å; I747-L767 HydrophobicContact CG1-CD2 4.26Å; I747-L767 HydrophobicContact CG2-CD2 4.11Å; V754-L767 HydrophobicContact CG2-CD1 3.61Å; V754-L767 HydrophobicContact CG2-CD2 4.09Å; Y764-L767 HydrophobicContact CD1-CB 4.16Å; Y764-L767 HydrophobicContact CD1-CD1 4.36Å; Y764-L767 HydrophobicContact CD1-CD2 4.3Å; Y764-L767 HydrophobicContact CD2-CB 3.69Å; Y764-L767 HydrophobicContact CE1-CB 4.26Å; Y764-L767 HydrophobicContact CE1-CD2 3.87Å; Y764-L767 HydrophobicContact CE2-CB 3.82Å; Y764-L767 HydrophobicContact CG-CB 3.87Å; L767-L769 HydrophobicContact CD1-CD2 4.44Å; L767-L769 HydrophobicContact CD2-CD2 4.1Å; L767-L769 HydrophobicContact CG-CD2 4.07Å; L767-L769 HydrophobicContact CG-CG 4.41Å; L767-A973 PolarHBondContact N-O 2.9Å; L767-I974 HydrophobicContact CB-CG1 4.16Å; L767-I974 HydrophobicContact CB-CG2 4.34Å; L767-I974 HydrophobicContact CD2-CD1 4.23Å; L767-I974 HydrophobicContact CD2-CG1 4.28Å; L767-I974 HydrophobicContact CD2-CG2 4.19Å; L767-I974 HydrophobicContact CG-CG2 4.35Å; L767-I974 WeakPolarHBondContact O-CA 3.33Å; L767-R975 PolarHBondContact O-N 2.95Å
768I98.4Very high92Very high1 Ų131.3 Ų31.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-118.3111.2-177.9-61.986.1000108.6I668 I669 V670 V671 F680 H766 R975 L1006 M1010I668-I768 HydrophobicContact CG2-CD1 3.5Å; I668-I768 VanDerWaalsContact CG2-CD1 3.5Å; I669-I768 PolarHBondContact O-N 2.87Å; V670-I768 CarbonylContact C-O 3.35Å; V670-I768 WeakPolarHBondContact CA-O 3.26Å; V670-I768 HydrophobicContact CG1-CG2 4.41Å; V670-I768 HydrophobicContact CG2-CB 4.25Å; V670-I768 HydrophobicContact CG2-CD1 4.49Å; V671-I768 PolarHBondContact N-O 3.4Å; F680-I768 HydrophobicContact CE1-CD1 4.38Å; F680-I768 HydrophobicContact CE1-CG1 4.3Å; F680-I768 HydrophobicContact CZ-CD1 4.17Å; F680-I768 HydrophobicContact CZ-CG1 4.01Å; H766-I768 HydrophobicContact CB-CD1 4.24Å; I768-R975 WeakPolarHBondContact CA-O 3.39Å; I768-L1006 HydrophobicContact CG2-CD2 3.68Å; I768-M1010 HydrophobicContact CD1-CE 4.1Å; I768-M1010 HydrophobicContact CD1-SD 4.21Å; I768-M1010 HydrophobicContact CG1-CE 4.41Å; I768-M1010 HydrophobicContact CG1-SD 3.89Å
769L98.1Very high92.2Very high2 Ų228.5 Ų28.51%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-93.7112.8-178.7-58.3172.2000110.2V671 M744 I747 L767 L950 L955 L961 I974 R975 A976 A977 L980V671-L769 HydrophobicContact CB-CD2 4.12Å; V671-L769 HydrophobicContact CG2-CD2 4.19Å; M744-L769 HydrophobicContact CE-CD2 4.38Å; M744-L769 HydrophobicContact SD-CD2 4.19Å; I747-L769 HydrophobicContact CD1-CD2 4.32Å; L767-L769 HydrophobicContact CD1-CD2 4.44Å; L767-L769 HydrophobicContact CD2-CD2 4.1Å; L767-L769 HydrophobicContact CG-CD2 4.07Å; L767-L769 HydrophobicContact CG-CG 4.41Å; L769-L950 HydrophobicContact CD1-CD2 3.52Å; L769-L955 HydrophobicContact CD1-CD1 4.23Å; L769-L961 HydrophobicContact CD1-CD2 3.7Å; L769-I974 HydrophobicContact CD1-CG2 3.7Å; L769-I974 HydrophobicContact CG-CG2 4.12Å; L769-R975 PolarHBondContact N-O 3.21Å; L769-A976 HydrophobicContact CB-CB 3.9Å; L769-A976 VanDerWaalsContact O-CA 3.3Å; L769-A976 WeakPolarHBondContact O-CA 3.28Å; L769-A977 PolarHBondContact O-N 2.95Å; L769-L980 WeakPolarHBondContact O-CD2 3.49Å
770C97.1Very high92.4Very high0 Ų027.2 Ų27.20%014%0.144CC..  trans-132.228.4-176.6-73.50000111.9V670 V671 S674 G772V670-C770 HydrophobicContact CG1-CB 4.49Å; V671-C770 CarbonylContact O-C 3.59Å; V671-C770 WeakPolarHBondContact O-CA 3.28Å; V671-C770 PolarHBondContact O-N 2.89Å; S674-C770 WeakPolarHBondContact CB-O 3.44Å; S674-C770 PolarHBondContact OG-O 3.06Å; C770-G772 VanDerWaalsContact C-N 3.29Å; C770-G772 PolarHBondContact O-N 3.46Å
771T94.4Very high92.6Very high25 Ų2524.6 Ų24.615%0.15313%0.133CC..  trans-68.7-20.5-175.551.60000114.7V671 T946V671-T771 HydrophobicContact CB-CG2 4.47Å; V671-T771 HydrophobicContact CG1-CG2 3.78Å; V671-T771 PolarHBondContact O-N 2.85Å; T771-T946 HydrophobicContact CG2-CG2 4.17Å
772G93.6Very high92.5Very high8 Ų823.1 Ų23.18%0.08214%0.136CC..  trans65-153.9177.200000114C770 S979C770-G772 VanDerWaalsContact C-N 3.29Å; C770-G772 PolarHBondContact O-N 3.46Å; G772-S979 WeakPolarHBondContact CA-OG 3.41Å
773Q93.1Very high92.4Very high44 Ų4422.5 Ų22.521%0.20613%0.134CC..  trans-123.6145.3176.1-61.4-177.9-69.600109.6K940 N941 V942 S979Q773-K940 HydrophobicContact CB-CB 3.95Å; Q773-K940 PolarHBondContact NE2-O 3.34Å; Q773-N941 CarbonylContact C-O 3.54Å; Q773-N941 WeakPolarHBondContact CA-O 3.44Å; Q773-V942 HydrophobicContact CG-CG2 4.38Å; Q773-S979 PolarHBondContact N-OG 3.43Å; Q773-S979 VanDerWaalsContact N-OG 3.14Å
774Q92.4Very high92.2Very high56 Ų5623.7 Ų23.726%0.26214%0.14SC..EExtended strand (participates in β ladder)trans-129.8147.4-174.2-64.3179.6-6.700110.8Q776 N814 K940 N941Q774-Q776 PolarHBondContact O-N 3.03Å; Q774-Q776 PolarHBondContact O-NE2 3.12Å; Q774-N814 VanDerWaalsContact CA-OD1 3.29Å; Q774-N814 WeakPolarHBondContact CA-OD1 3.47Å; Q774-N814 HydrophobicContact CG-CB 4.4Å; Q774-K940 CarbonylContact O-C 3.38Å; Q774-K940 VanDerWaalsContact O-CA 3.3Å; Q774-K940 WeakPolarHBondContact O-CA 3.46Å; Q774-N941 PolarHBondContact N-O 3.48Å; Q774-N941 PolarHBondContact O-N 3.42Å; Q774-N941 VanDerWaalsContact O-O 3.12Å
775Y93.2Very high91.9Very high7 Ų724.9 Ų24.93%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-57.3133169.6-70.1-64.8000110.9L813 N814 T843 D845 F937 E939 K940Y775-L813 VanDerWaalsContact CD2-O 3.28Å; Y775-L813 WeakPolarHBondContact CD2-O 3.5Å; Y775-N814 WeakPolarHBondContact CD2-OD1 3.35Å; Y775-N814 PolarHBondContact N-OD1 3.39Å; Y775-N814 PolarHBondContact O-ND2 3.13Å; Y775-T843 HydrophobicContact CE1-CG2 4.07Å; Y775-T843 WeakPolarHBondContact OH-CB 3.3Å; Y775-T843 PolarHBondContact OH-OG1 3.13Å; Y775-D845 HydrophobicContact CE2-CB 4.28Å; Y775-D845 VanDerWaalsContact CE2-OD2 3.32Å; Y775-D845 WeakPolarHBondContact CE2-OD2 3.48Å; Y775-D845 WeakPolarHBondContact OH-CB 3.31Å; Y775-D845 PolarHBondContact OH-OD2 3.38Å; Y775-F937 HydrophobicContact CD1-CB 4.33Å; Y775-F937 HydrophobicContact CD1-CD1 4.3Å; Y775-F937 AromaticContact CD2-CD1 3.82Å; Y775-F937 HydrophobicContact CD2-CD1 3.82Å; Y775-F937 HydrophobicContact CD2-CE1 4.29Å; Y775-F937 VanDerWaalsContact CE1-CA 3.48Å; Y775-F937 HydrophobicContact CE1-CB 3.85Å; Y775-F937 HydrophobicContact CE1-CD1 4Å; Y775-F937 HydrophobicContact CE1-CG 4.45Å; Y775-F937 AromaticContact CE2-CD1 3.49Å; Y775-F937 HydrophobicContact CE2-CD1 3.49Å; Y775-F937 VanDerWaalsContact CE2-CD1 3.49Å; Y775-F937 HydrophobicContact CE2-CE1 4.03Å; Y775-F937 HydrophobicContact CG-CD1 4.2Å; Y775-F937 AromaticContact CZ-CD1 3.57Å; Y775-E939 WeakPolarHBondContact CA-O 3.45Å; Y775-K940 HydrophobicContact CD1-CG 3.67Å; Y775-K940 HydrophobicContact CD2-CG 4.41Å; Y775-K940 HydrophobicContact CE1-CD 4.33Å; Y775-K940 HydrophobicContact CE1-CG 3.69Å; Y775-K940 HydrophobicContact CE2-CD 4.4Å; Y775-K940 HydrophobicContact CE2-CG 4.43Å; Y775-K940 HydrophobicContact CG-CG 4.07Å; Y775-K940 VanDerWaalsContact OH-CE 3.31Å; Y775-K940 WeakPolarHBondContact OH-CE 3.4Å
776Q89.4Confident91.5Very high56 Ų5627.6 Ų27.626%0.26217%0.168SC..PPolyproline II helixtrans-102.9155.7-178-58.7-60.1-45.900111.4Q774 E939 N941Q774-Q776 PolarHBondContact O-N 3.03Å; Q774-Q776 PolarHBondContact O-NE2 3.12Å; Q776-E939 PolarHBondContact N-O 3.04Å; Q776-N941 HydrophobicContact CG-CB 3.81Å; Q776-N941 PolarHBondContact NE2-O 3.44Å
777V90.1Very high91Very high30 Ų3031.9 Ų31.918%0.18219%0.188CC..PPolyproline II helixtrans-69123.1169.9-1790000108.4Y802 V806 T812 W906V777-Y802 HydrophobicContact CB-CD1 4.46Å; V777-Y802 HydrophobicContact CG1-CD1 3.75Å; V777-Y802 HydrophobicContact CG1-CE1 4.43Å; V777-Y802 HydrophobicContact CG1-CG 3.99Å; V777-V806 HydrophobicContact CG2-CG1 4.1Å; V777-V806 HydrophobicContact CG2-CG2 4Å; V777-T812 HydrophobicContact CG2-CG2 4.24Å; V777-W906 HydrophobicContact CG1-CH2 3.83Å
778P88.6Confident90.4Very high18 Ų1837.6 Ų37.612%0.11721%0.214CC..PPolyproline II helixtrans-68.2137.7-178.129-32.7000109.5P780 H810 Y840 L903 W906 F934 S936P778-P780 WeakPolarHBondContact O-CD 3.33Å; P778-H810 VanDerWaalsContact CD-NE2 3.32Å; P778-H810 WeakPolarHBondContact CD-NE2 3.46Å; P778-Y840 HydrophobicContact CB-CD1 4.34Å; P778-Y840 HydrophobicContact CB-CE1 4.14Å; P778-Y840 HydrophobicContact CG-CD1 4.29Å; P778-L903 HydrophobicContact CB-CD2 4.05Å; P778-L903 HydrophobicContact CG-CD2 3.83Å; P778-W906 HydrophobicContact CG-CZ2 4.37Å; P778-F934 HydrophobicContact CG-CE1 4.18Å; P778-S936 WeakPolarHBondContact CD-OG 3.33Å
779C88.6Confident89.8Confident26 Ų2639.4 Ų39.418%0.17622%0.224CC..  trans-87.7113.3175.3-170.90000109.5T781 S797 R800C779-T781 PolarHBondContact O-N 2.8Å; C779-S797 WeakPolarHBondContact O-CB 3.44Å; C779-S797 PolarHBondContact O-OG 3.33Å; C779-R800 HydrophobicContact CB-CB 4.11Å; C779-R800 WeakPolarHBondContact CB-O 3.36Å
780P89.9Confident89.3Confident27 Ų2740.6 Ų40.618%0.17523%0.231CC..  trans-58.6139.8174.6-18.730.9000110.1P778 G782 L903 A904 W906P778-P780 WeakPolarHBondContact O-CD 3.33Å; P780-G782 PolarHBondContact O-N 2.89Å; P780-L903 HydrophobicContact CB-CD2 4.39Å; P780-L903 HydrophobicContact CB-CG 4.24Å; P780-L903 HydrophobicContact CG-CD2 4Å; P780-L903 HydrophobicContact CG-CG 4.36Å; P780-A904 CarbonylContact C-O 3.57Å; P780-A904 VanDerWaalsContact CB-O 3.25Å; P780-A904 WeakPolarHBondContact CB-O 3.44Å; P780-W906 HydrophobicContact CG-CD2 4.02Å; P780-W906 HydrophobicContact CG-CE3 4.07Å; P780-W906 HydrophobicContact CG-CH2 4.47Å; P780-W906 HydrophobicContact CG-CZ2 4.41Å; P780-W906 HydrophobicContact CG-CZ3 4.31Å
781T89.2Confident88.8Confident16 Ų1642 Ų4210%0.09824%0.238CC..  trans-69.2-17-177.262.10000113.2C779 A783 V794 S797 I902 L903 A904C779-T781 PolarHBondContact O-N 2.8Å; T781-A783 VanDerWaalsContact C-N 3.27Å; T781-A783 WeakPolarHBondContact OG1-CB 3.37Å; T781-A783 PolarHBondContact OG1-N 3.32Å; T781-V794 HydrophobicContact CG2-CG1 3.3Å; T781-V794 WeakPolarHBondContact OG1-CG1 3.44Å; T781-S797 WeakPolarHBondContact CG2-OG 3.44Å; T781-I902 HydrophobicContact CG2-CG2 3.64Å; T781-L903 PolarHBondContact N-O 3.49Å; T781-A904 PolarHBondContact N-O 3.41Å; T781-A904 VanDerWaalsContact N-O 3.16Å; T781-A904 WeakPolarHBondContact OG1-CA 3.31Å
782G87.1Confident88.2Confident46 Ų4651.9 Ų51.947%0.47427%0.273SS..  trans81.33.6-175.300000113.4P780 D784 A904 Q905P780-G782 PolarHBondContact O-N 2.89Å; G782-D784 PolarHBondContact O-N 2.93Å; G782-A904 PolarHBondContact N-O 3.33Å; G782-Q905 PolarHBondContact O-NE2 2.92Å
783A86.7Confident87.7Confident9 Ų957.3 Ų57.37%0.07430%0.296CS..  trans-65.6126.4-178.300000111.8T781 I785 L789 V794 A904 Q905 T921T781-A783 VanDerWaalsContact C-N 3.27Å; T781-A783 WeakPolarHBondContact OG1-CB 3.37Å; T781-A783 PolarHBondContact OG1-N 3.32Å; A783-I785 PolarHBondContact O-N 3.14Å; A783-L789 HydrophobicContact CB-CD1 4Å; A783-V794 HydrophobicContact CB-CG1 4.22Å; A783-V794 HydrophobicContact CB-CG2 3.8Å; A783-A904 HydrophobicContact CB-CB 4.22Å; A783-Q905 WeakPolarHBondContact O-CG 3.45Å; A783-T921 HydrophobicContact CB-CG2 4.13Å
784D86.4Confident87.2Confident57 Ų5755.9 Ų55.931%0.30529%0.291SS..  trans-80.2113.8175.7178.9-3.1000109.9G782 S786 Q787G782-D784 PolarHBondContact O-N 2.93Å; D784-S786 PolarHBondContact O-N 2.66Å; D784-S786 VanDerWaalsContact OD1-CB 3.26Å; D784-S786 WeakPolarHBondContact OD1-CB 3.48Å; D784-S786 PolarHBondContact OD1-N 2.94Å; D784-S786 PolarHBondContact OD1-OG 3.03Å; D784-S786 PolarHBondContact OD2-OG 3.43Å; D784-Q787 HydrophobicContact CB-CG 4.28Å; D784-Q787 PolarHBondContact O-N 3.08Å; D784-Q787 PolarHBondContact OD2-NE2 3.12Å
785I85.8Confident86.2Confident31 Ų3156.3 Ų56.316%0.15930%0.298CS..G310 helixtrans-67.2-18.3-177.559.5161.9000113.5A783 Q787 H788 A904 S919 P926 R928A783-I785 PolarHBondContact O-N 3.14Å; I785-Q787 PolarHBondContact O-N 3.09Å; I785-H788 PolarHBondContact O-N 2.84Å; I785-H788 VanDerWaalsContact O-N 3.09Å; I785-A904 HydrophobicContact CG2-CB 4.16Å; I785-S919 WeakPolarHBondContact CD1-OG 2.83Å; I785-P926 HydrophobicContact CB-CB 3.95Å; I785-P926 HydrophobicContact CB-CG 4.26Å; I785-P926 HydrophobicContact CG2-CB 3.73Å; I785-R928 HydrophobicContact CD1-CB 3.96Å
786S85.5Confident85.1Confident83 Ų8361.6 Ų61.658%0.5833%0.327SS*.G310 helixtrans-66.5-24.2175.673.90000112.3D784 H788D784-S786 PolarHBondContact O-N 2.66Å; D784-S786 VanDerWaalsContact OD1-CB 3.26Å; D784-S786 WeakPolarHBondContact OD1-CB 3.48Å; D784-S786 PolarHBondContact OD1-N 2.94Å; D784-S786 PolarHBondContact OD1-OG 3.03Å; D784-S786 PolarHBondContact OD2-OG 3.43Å; S786-H788 PolarHBondContact O-N 2.84Å
787Q85.9Confident83.9Confident126 Ų12659.5 Ų59.559%0.58932%0.319SS*.G310 helixtrans-83.60.5176.4-58.3178.517.700112.4D784 I785 L789D784-Q787 HydrophobicContact CB-CG 4.28Å; D784-Q787 PolarHBondContact O-N 3.08Å; D784-Q787 PolarHBondContact OD2-NE2 3.12Å; I785-Q787 PolarHBondContact O-N 3.09Å; Q787-L789 HydrophobicContact CB-CD1 4.47Å; Q787-L789 HydrophobicContact CB-CG 4.1Å; Q787-L789 PolarHBondContact O-N 3.07Å
788H84.6Confident82.4Confident121 Ų12161.1 Ų61.156%0.5633%0.331SS*.THydrogen-bonded Turntrans56.830.2179.2-64.3-60.9000115I785 S786I785-H788 PolarHBondContact O-N 2.84Å; I785-H788 VanDerWaalsContact O-N 3.09Å; S786-H788 PolarHBondContact O-N 2.84Å
789L85.3Confident81.2Confident39 Ų3968.8 Ų68.820%0.20437%0.365CS..  trans-60140.1178.5-63.7170.1000112A783 Q787 E793 V794A783-L789 HydrophobicContact CB-CD1 4Å; Q787-L789 HydrophobicContact CB-CD1 4.47Å; Q787-L789 HydrophobicContact CB-CG 4.1Å; Q787-L789 PolarHBondContact O-N 3.07Å; L789-E793 WeakPolarHBondContact CA-OE2 3.32Å; L789-E793 HydrophobicContact CD2-CB 4.08Å; L789-V794 HydrophobicContact CB-CG2 4.28Å
790T88.1Confident80.6Confident28 Ų2874.5 Ų74.517%0.17238%0.383CS..  trans-103.7165.4177.264.10000111.5R792 E793 V794 T922T790-R792 PolarHBondContact O-N 2.95Å; T790-E793 PolarHBondContact N-OE2 2.72Å; T790-E793 PolarHBondContact O-N 2.89Å; T790-E793 PolarHBondContact OG1-OE2 2.78Å; T790-E793 VanDerWaalsContact OG1-OE2 3.05Å; T790-V794 WeakPolarHBondContact O-CG2 3.37Å; T790-T922 WeakPolarHBondContact CA-O 3.4Å
791N87.2Confident80.2Confident28 Ų2879 Ų7915%0.1540%0.397CS..THydrogen-bonded Turntrans-54-21.4178.7-72.4-1.7000114.8E793 D900 I902 T921 T922 P923N791-E793 VanDerWaalsContact C-N 3.35Å; N791-D900 PolarHBondContact ND2-O 3.18Å; N791-I902 HydrophobicContact CB-CD1 3.98Å; N791-T921 WeakPolarHBondContact OD1-CB 3.28Å; N791-T921 PolarHBondContact OD1-O 2.94Å; N791-T921 PolarHBondContact OD1-OG1 2.82Å; N791-T922 VanDerWaalsContact CG-C 3.42Å; N791-T922 PolarHBondContact N-O 3.3Å; N791-T922 WeakPolarHBondContact OD1-CA 3.32Å; N791-T922 PolarHBondContact OD1-N 3.28Å; N791-P923 WeakPolarHBondContact ND2-CD 3.44Å
792R81.9Confident80.1Confident233 Ų23380 Ų8088%0.87940%0.399SS*.THydrogen-bonded Turntrans-76.1-23.9178.6-65.5-177.3178.3-178.60.2113.3T790T790-R792 PolarHBondContact O-N 2.95Å
793E82.1Confident80Confident122 Ų12284 Ų8457%0.5741%0.414SS*.THydrogen-bonded Turntrans-100.5-5.6-173.2-63.9160.1147.300111.8L789 T790 N791L789-E793 WeakPolarHBondContact CA-OE2 3.32Å; L789-E793 HydrophobicContact CD2-CB 4.08Å; T790-E793 PolarHBondContact N-OE2 2.72Å; T790-E793 PolarHBondContact O-N 2.89Å; T790-E793 PolarHBondContact OG1-OE2 2.78Å; T790-E793 VanDerWaalsContact OG1-OE2 3.05Å; N791-E793 VanDerWaalsContact C-N 3.35Å
794V82.1Confident80Confident15 Ų1585.4 Ų85.49%0.09143%0.429CS..SBendtrans-101.5132.6-174.3179.80000109.8T781 A783 L789 T790 T921T781-V794 HydrophobicContact CG2-CG1 3.3Å; T781-V794 WeakPolarHBondContact OG1-CG1 3.44Å; A783-V794 HydrophobicContact CB-CG1 4.22Å; A783-V794 HydrophobicContact CB-CG2 3.8Å; L789-V794 HydrophobicContact CB-CG2 4.28Å; T790-V794 WeakPolarHBondContact O-CG2 3.37Å; V794-T921 HydrophobicContact CG2-CG2 3.91Å
795P73.2Confident80Confident64 Ų6489.6 Ų89.642%0.41645%0.445SS..  trans-62.9141.9178.824.2-32.7000111S797P795-S797 PolarHBondContact O-N 3.31Å
796N68.5Low80.2Confident118 Ų11891.5 Ų91.563%0.63146%0.458SS*.  trans-66.5100176.4-167.19.1000109.8S798N796-S798 VanDerWaalsContact C-N 3.33Å; N796-S798 PolarHBondContact ND2-OG 2.81Å; N796-S798 PolarHBondContact OD1-N 3.36Å; N796-S798 PolarHBondContact OD1-OG 3.09Å
797S64Low80.6Confident13 Ų1387.7 Ų87.79%0.09143%0.431CS..  trans-86.6-1.4-178.9660000113.4C779 T781 P795 Q799 R800C779-S797 WeakPolarHBondContact O-CB 3.44Å; C779-S797 PolarHBondContact O-OG 3.33Å; T781-S797 WeakPolarHBondContact CG2-OG 3.44Å; P795-S797 PolarHBondContact O-N 3.31Å; S797-Q799 PolarHBondContact O-N 3.19Å; S797-Q799 VanDerWaalsContact O-N 3.14Å; S797-R800 WeakPolarHBondContact O-CB 3.36Å; S797-R800 PolarHBondContact O-N 3.05Å
798S59.1Low80.9Confident63 Ų6384.6 Ų84.644%0.44142%0.423SS..THydrogen-bonded Turntrans-58.4-30.1-178.863.40000113.1N796N796-S798 VanDerWaalsContact C-N 3.33Å; N796-S798 PolarHBondContact ND2-OG 2.81Å; N796-S798 PolarHBondContact OD1-N 3.36Å; N796-S798 PolarHBondContact OD1-OG 3.09Å
799Q62.9Low81.3Confident179 Ų17979 Ų7984%0.83640%0.397SS*.THydrogen-bonded Turntrans-89-4177.1-63.2-177.1-1100113.7S797S797-Q799 PolarHBondContact O-N 3.19Å; S797-Q799 VanDerWaalsContact O-N 3.14Å
800R76.9Confident81.7Confident147 Ų14777.8 Ų77.856%0.55539%0.391SS*.PPolyproline II helixtrans-92.3131.3-179.1-66.2-174.4179.7-177.1-0.3110C779 S797C779-R800 HydrophobicContact CB-CB 4.11Å; C779-R800 WeakPolarHBondContact CB-O 3.36Å; S797-R800 WeakPolarHBondContact O-CB 3.36Å; S797-R800 PolarHBondContact O-N 3.05Å
801R82.2Confident82.1Confident121 Ų12177.6 Ų77.646%0.45739%0.387SS..PPolyproline II helixtrans-80.4135.6171.7-175.6178.5176.9-149.24.7110.2T803 Y944R801-T803 PolarHBondContact O-N 3.34Å; R801-Y944 VanDerWaalsContact CZ-CB 3.41Å; R801-Y944 VanDerWaalsContact NH1-CZ 3.35Å
802Y86.3Confident82.3Confident37 Ų3777.8 Ų77.815%0.14539%0.39CS..PPolyproline II helixtrans-70.9119.9167.6-176.2-103.1000110.4V777 G804 K805 V806 W906V777-Y802 HydrophobicContact CB-CD1 4.46Å; V777-Y802 HydrophobicContact CG1-CD1 3.75Å; V777-Y802 HydrophobicContact CG1-CE1 4.43Å; V777-Y802 HydrophobicContact CG1-CG 3.99Å; Y802-G804 WeakPolarHBondContact CE1-O 3.44Å; Y802-K805 WeakPolarHBondContact CE1-O 3.19Å; Y802-K805 PolarHBondContact OH-O 2.92Å; Y802-V806 HydrophobicContact CD1-CG2 4.49Å; Y802-V806 HydrophobicContact CE1-CG2 4.46Å; Y802-W906 HydrophobicContact CD2-CH2 4.47Å; Y802-W906 HydrophobicContact CD2-CZ3 4.2Å; Y802-W906 HydrophobicContact CE1-CZ3 4.11Å; Y802-W906 HydrophobicContact CE2-CE3 4.35Å; Y802-W906 HydrophobicContact CE2-CH2 4.26Å; Y802-W906 AromaticContact CE2-CZ3 3.57Å; Y802-W906 HydrophobicContact CE2-CZ3 3.57Å; Y802-W906 AromaticContact CZ-CZ3 3.52Å
803T85.6Confident82.9Confident130 Ų13066.7 Ų66.780%0.79835%0.348SS*.  trans-106.6-6.2-178.654.20000113.6R801R801-T803 PolarHBondContact O-N 3.34Å
804G85.5Confident83.2Confident38 Ų3862.9 Ų62.939%0.39233%0.331SS..SBendtrans-74.3176.317700000112.7Y802 V806Y802-G804 WeakPolarHBondContact CE1-O 3.44Å; G804-V806 PolarHBondContact O-N 3.35Å
805K87.4Confident83.4Confident145 Ų14565 Ų6563%0.6334%0.34SS*.PPolyproline II helixtrans-63.6127.5169.5-171.9-173.1-179.3-162.20109.2Y802 P807 D913Y802-K805 WeakPolarHBondContact CE1-O 3.19Å; Y802-K805 PolarHBondContact OH-O 2.92Å; K805-P807 WeakPolarHBondContact O-CD 3.32Å; K805-D913 WeakPolarHBondContact CE-OD2 3.13Å; K805-D913 IonicContact NZ-OD2 2.76Å; K805-D913 PolarHBondContact NZ-OD2 2.81Å
806V90.6Very high83.9Confident71 Ų7164 Ų6443%0.4333%0.33SS..PPolyproline II helixtrans-67.6125.9174.9-177.20000108.4V777 Y802 G804 H810V777-V806 HydrophobicContact CG2-CG1 4.1Å; V777-V806 HydrophobicContact CG2-CG2 4Å; Y802-V806 HydrophobicContact CD1-CG2 4.49Å; Y802-V806 HydrophobicContact CE1-CG2 4.46Å; G804-V806 PolarHBondContact O-N 3.35Å; V806-H810 HydrophobicContact CG1-CB 4.27Å
807P93.3Very high84.6Confident3 Ų360.1 Ų60.12%0.01931%0.308CS..PPolyproline II helixtrans-60.8143179-26.837.7000112.8K805 N809 H810 W906 P912 D913 I915K805-P807 WeakPolarHBondContact O-CD 3.32Å; P807-N809 PolarHBondContact O-N 2.9Å; P807-N809 VanDerWaalsContact O-N 3.16Å; P807-H810 HydrophobicContact CB-CB 4.15Å; P807-H810 HydrophobicContact CG-CB 4.5Å; P807-H810 WeakPolarHBondContact O-CB 3.48Å; P807-H810 PolarHBondContact O-N 2.9Å; P807-W906 HydrophobicContact CG-CE3 3.91Å; P807-W906 HydrophobicContact CG-CH2 4.33Å; P807-W906 HydrophobicContact CG-CZ3 3.76Å; P807-P912 WeakPolarHBondContact CB-O 3.39Å; P807-P912 HydrophobicContact CG-CB 4.09Å; P807-P912 WeakPolarHBondContact CG-O 3.26Å; P807-D913 HydrophobicContact CB-CB 4.42Å; P807-I915 HydrophobicContact CB-CD1 3.85Å; P807-I915 HydrophobicContact CB-CG1 3.54Å; P807-I915 HydrophobicContact CG-CD1 3.89Å; P807-I915 HydrophobicContact CG-CG1 3.71Å
808C91.6Very high85.8Confident61 Ų6160.8 Ų60.841%0.41231%0.311SS..THydrogen-bonded Turntrans-64-22.1-175.363.50000114.5W825 D913C808-W825 HydrophobicContact CB-CH2 4.07Å; C808-D913 WeakPolarHBondContact CB-OD1 3.31Å; C808-D913 PolarHBondContact N-OD1 2.68Å; C808-D913 PolarHBondContact SG-OD1 3.37Å
809N93.5Very high87.3Confident5 Ų558 Ų583%0.02729%0.291CS..THydrogen-bonded Turntrans-104.917.6177.667.7-28.4000113.5P807 W825 I915 S932 F934P807-N809 PolarHBondContact O-N 2.9Å; P807-N809 VanDerWaalsContact O-N 3.16Å; N809-W825 HydrophobicContact CB-CZ2 3.83Å; N809-I915 PolarHBondContact ND2-O 3.03Å; N809-I915 PolarHBondContact OD1-N 3.48Å; N809-S932 WeakPolarHBondContact CB-O 3.42Å; N809-S932 PolarHBondContact ND2-O 2.89Å; N809-F934 PolarHBondContact O-N 2.9Å
810H94.8Very high88.4Confident13 Ų1352.4 Ų52.46%0.0626%0.264CS..EExtended strand (participates in β ladder)trans-98.9130.8170.3-179.2-76.4000110.6P778 V806 P807 W906 I915 F934P778-H810 VanDerWaalsContact CD-NE2 3.32Å; P778-H810 WeakPolarHBondContact CD-NE2 3.46Å; V806-H810 HydrophobicContact CG1-CB 4.27Å; P807-H810 HydrophobicContact CB-CB 4.15Å; P807-H810 HydrophobicContact CG-CB 4.5Å; P807-H810 WeakPolarHBondContact O-CB 3.48Å; P807-H810 PolarHBondContact O-N 2.9Å; H810-W906 AromaticContact CD2-CZ2 3.88Å; H810-I915 HydrophobicContact CB-CD1 4.07Å; H810-F934 CarbonylContact C-O 3.58Å; H810-F934 WeakPolarHBondContact CA-O 3.33Å; H810-F934 AromaticContact CD2-CD1 3.39Å; H810-F934 WeakPolarHBondContact CD2-CD1 3.49Å; H810-F934 AromaticContact NE2-CD1 3.64Å; H810-F934 AromaticContact NE2-CE1 3.91Å
811F94.6Very high88.9Confident23 Ų2349.9 Ų49.910%0.10126%0.257CS..EExtended strand (participates in β ladder)trans-126.8125.7-175.5-64.2-90.6000111.7L813 A822 W825 M933 F934 F935 S936F811-L813 HydrophobicContact CB-CD2 4.16Å; F811-A822 HydrophobicContact CD1-CB 3.73Å; F811-A822 HydrophobicContact CE1-CB 4.09Å; F811-A822 HydrophobicContact CG-CB 4.26Å; F811-W825 HydrophobicContact CE1-CB 4.21Å; F811-W825 HydrophobicContact CE1-CG 4.47Å; F811-W825 HydrophobicContact CE2-CB 4.48Å; F811-W825 AromaticContact CE2-CD1 3.92Å; F811-W825 HydrophobicContact CE2-CD2 4.41Å; F811-W825 HydrophobicContact CE2-CG 4.03Å; F811-W825 HydrophobicContact CZ-CB 3.63Å; F811-W825 AromaticContact CZ-CD1 3.84Å; F811-W825 AromaticContact CZ-CD2 3.81Å; F811-W825 HydrophobicContact CZ-CD2 3.81Å; F811-W825 HydrophobicContact CZ-CE3 4.33Å; F811-W825 AromaticContact CZ-CG 3.47Å; F811-W825 HydrophobicContact CZ-CG 3.47Å; F811-W825 VanDerWaalsContact CZ-CG 3.47Å; F811-M933 HydrophobicContact CD1-CE 4.33Å; F811-M933 HydrophobicContact CD2-CE 3.36Å; F811-M933 HydrophobicContact CD2-CG 3.79Å; F811-M933 HydrophobicContact CD2-SD 4.45Å; F811-M933 HydrophobicContact CE1-CE 4.31Å; F811-M933 HydrophobicContact CE2-CE 3.34Å; F811-M933 HydrophobicContact CE2-CG 3.8Å; F811-M933 HydrophobicContact CE2-SD 4.31Å; F811-M933 HydrophobicContact CG-CE 3.9Å; F811-M933 HydrophobicContact CZ-CE 3.85Å; F811-F934 PolarHBondContact N-O 3.38Å; F811-F935 HydrophobicContact CB-CD1 3.73Å; F811-F935 HydrophobicContact CB-CE1 3.91Å; F811-F935 HydrophobicContact CG-CE1 4.35Å; F811-F935 WeakPolarHBondContact O-CA 3.32Å; F811-S936 PolarHBondContact O-N 2.73Å
812T93.1Very high89.3Confident33 Ų3344.1 Ų44.120%0.20224%0.235CC..  trans-109.5109.9164.448.90000107.3V777V777-T812 HydrophobicContact CG2-CG2 4.24Å
813L92.6Very high89.4Confident0 Ų042.3 Ų42.30%023%0.228CC..  trans-91.4107.5-178.1-51-174.4000109.2F716 L717 Y775 F811 D818 A822 F935 F937F716-L813 HydrophobicContact CB-CD1 3.7Å; F716-L813 HydrophobicContact CD1-CD1 3.59Å; F716-L813 HydrophobicContact CE1-CD1 4.38Å; F716-L813 HydrophobicContact CG-CD1 3.73Å; L717-L813 HydrophobicContact CD2-CB 3.91Å; L717-L813 WeakPolarHBondContact CD2-O 3.46Å; Y775-L813 VanDerWaalsContact CD2-O 3.28Å; Y775-L813 WeakPolarHBondContact CD2-O 3.5Å; F811-L813 HydrophobicContact CB-CD2 4.16Å; L813-D818 HydrophobicContact CD2-CB 4.02Å; L813-A822 HydrophobicContact CD2-CB 3.82Å; L813-F935 HydrophobicContact CD1-CD1 4Å; L813-F935 HydrophobicContact CD1-CE1 3.86Å; L813-F935 HydrophobicContact CD2-CD1 4.46Å; L813-F935 HydrophobicContact CD2-CE1 4.26Å; L813-F935 HydrophobicContact CG-CD1 4.1Å; L813-F935 HydrophobicContact CG-CE1 4.22Å; L813-F937 HydrophobicContact CB-CE1 4.04Å; L813-F937 HydrophobicContact CB-CZ 4.26Å; L813-F937 HydrophobicContact CD1-CZ 4.04Å; L813-F937 HydrophobicContact CG-CE1 4.39Å; L813-F937 HydrophobicContact CG-CZ 4.14Å
814N90.1Very high89.5Confident42 Ų4238.7 Ų38.723%0.22521%0.206CC..  trans-113.3-33.3178-71-62.8000112.6Q774 Y775 D818Q774-N814 VanDerWaalsContact CA-OD1 3.29Å; Q774-N814 WeakPolarHBondContact CA-OD1 3.47Å; Q774-N814 HydrophobicContact CG-CB 4.4Å; Y775-N814 WeakPolarHBondContact CD2-OD1 3.35Å; Y775-N814 PolarHBondContact N-OD1 3.39Å; Y775-N814 PolarHBondContact O-ND2 3.13Å; N814-D818 PolarHBondContact N-OD2 3.26Å
815E85.8Confident89.7Confident58 Ų5840.3 Ų40.327%0.27120%0.2SC..SBendtrans-137.6171.1-177.257.9-172.2157.800112.1T700 H701 E817 D818 C819T700-E815 PolarHBondContact OG1-OE1 3.41Å; T700-E815 VanDerWaalsContact OG1-OE1 3.12Å; H701-E815 IonicContact CD2-OE1 3.84Å; H701-E815 PolarHBondContact CD2-OE1 3.25Å; H701-E815 IonicContact CD2-OE2 3.31Å; H701-E815 IonicContact CG-OE1 3.94Å; H701-E815 IonicContact NE2-OE1 3.6Å; H701-E815 PolarHBondContact NE2-OE1 2.81Å; E815-E817 PolarHBondContact O-N 3.43Å; E815-D818 PolarHBondContact N-OD2 2.85Å; E815-D818 WeakPolarHBondContact O-CB 3.2Å; E815-D818 PolarHBondContact O-N 3.21Å; E815-C819 PolarHBondContact O-N 3.23Å
816E83.1Confident89.7Confident43 Ų4333.5 Ų33.520%0.20117%0.171CC..Hα-helixtrans-59-34.3-174.7-179.4169.2-143.600113L709 R714 C819 F820L709-E816 VanDerWaalsContact CD1-CD 3.43Å; L709-E816 HydrophobicContact CD1-CG 3.2Å; L709-E816 WeakPolarHBondContact CD1-OE1 3.32Å; R714-E816 IonicContact CZ-OE1 3.23Å; R714-E816 IonicContact CZ-OE2 2.66Å; R714-E816 IonicContact NE-OE1 3.24Å; R714-E816 PolarHBondContact NE-OE1 2.81Å; R714-E816 VanDerWaalsContact NH2-CD 3.32Å; R714-E816 IonicContact NH2-OE1 3.84Å; R714-E816 PolarHBondContact NH2-OE1 2.81Å; R714-E816 IonicContact NH2-OE2 3.39Å; R714-E816 PolarHBondContact NH2-OE2 2.89Å; R714-E816 VanDerWaalsContact NH2-OE2 3.15Å; E816-C819 WeakPolarHBondContact O-CB 3.36Å; E816-C819 PolarHBondContact O-N 2.86Å; E816-F820 PolarHBondContact O-N 2.85Å
817E84.5Confident89.5Confident37 Ų3737.4 Ų37.417%0.17318%0.178CC..Hα-helixtrans-68-33.9176.6-167.464.2-157.200112.4H701 K707 E815 F820 K821H701-E817 WeakPolarHBondContact CD2-CB 3.24Å; K707-E817 IonicContact NZ-OE1 2.66Å; K707-E817 PolarHBondContact NZ-OE1 3.21Å; K707-E817 IonicContact NZ-OE2 3.57Å; K707-E817 PolarHBondContact NZ-OE2 3.33Å; E815-E817 PolarHBondContact O-N 3.43Å; E817-F820 PolarHBondContact O-N 2.81Å; E817-K821 WeakPolarHBondContact O-CG 3.43Å; E817-K821 PolarHBondContact O-N 2.69Å
818D88.7Confident89.2Confident28 Ų2841.4 Ų41.415%0.1521%0.206CC..Hα-helixtrans-66.4-42.3175.4-62.1-31.8000110.7L813 N814 E815 F820 K821 A822L813-D818 HydrophobicContact CD2-CB 4.02Å; N814-D818 PolarHBondContact N-OD2 3.26Å; E815-D818 PolarHBondContact N-OD2 2.85Å; E815-D818 WeakPolarHBondContact O-CB 3.2Å; E815-D818 PolarHBondContact O-N 3.21Å; D818-F820 VanDerWaalsContact C-N 3.32Å; D818-F820 PolarHBondContact O-N 3.17Å; D818-K821 PolarHBondContact O-N 2.71Å; D818-K821 IonicContact OD1-NZ 2.64Å; D818-A822 WeakPolarHBondContact O-CB 3.27Å; D818-A822 PolarHBondContact O-N 3.08Å
819C89.5Confident88.8Confident4 Ų442.2 Ų42.23%0.02721%0.206CC..Hα-helixtrans-60.1-42.6174.4-62.40000111.2F716 E815 E816 A822 L823F716-C819 HydrophobicContact CB-CB 4.47Å; F716-C819 HydrophobicContact CD2-CB 4.03Å; E815-C819 PolarHBondContact O-N 3.23Å; E816-C819 WeakPolarHBondContact O-CB 3.36Å; E816-C819 PolarHBondContact O-N 2.86Å; C819-A822 PolarHBondContact O-N 2.69Å; C819-L823 WeakPolarHBondContact O-CB 3.2Å; C819-L823 PolarHBondContact O-N 3Å
820F85.8Confident88.1Confident62 Ų6245.5 Ų45.527%0.27223%0.229SC..Hα-helixtrans-62.9-43.2176.1178.1-102.7000112.6L709 E816 E817 D818 L823 T824L709-F820 HydrophobicContact CD2-CD2 3.91Å; L709-F820 HydrophobicContact CD2-CE2 4.41Å; E816-F820 PolarHBondContact O-N 2.85Å; E817-F820 PolarHBondContact O-N 2.81Å; D818-F820 VanDerWaalsContact C-N 3.32Å; D818-F820 PolarHBondContact O-N 3.17Å; F820-L823 PolarHBondContact O-N 2.85Å; F820-T824 WeakPolarHBondContact O-CB 3.48Å; F820-T824 PolarHBondContact O-N 3.29Å; F820-T824 PolarHBondContact O-OG1 2.75Å
821K88.1Confident87.5Confident93 Ų9345.2 Ų45.240%0.40423%0.228SC..Hα-helixtrans-61.2-44.8175.2-72167.3-171.7154.30111.2H701 E817 D818 T824 W825H701-K821 PolarHBondContact NE2-NZ 3.42Å; E817-K821 WeakPolarHBondContact O-CG 3.43Å; E817-K821 PolarHBondContact O-N 2.69Å; D818-K821 PolarHBondContact O-N 2.71Å; D818-K821 IonicContact OD1-NZ 2.64Å; K821-T824 PolarHBondContact O-N 3.25Å; K821-W825 WeakPolarHBondContact O-CB 3.32Å; K821-W825 PolarHBondContact O-N 3.3Å
822A90.4Very high86.7Confident0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-63.3-43.9177.700000112.4F811 L813 D818 C819 W825 I826 M933 F935F811-A822 HydrophobicContact CD1-CB 3.73Å; F811-A822 HydrophobicContact CE1-CB 4.09Å; F811-A822 HydrophobicContact CG-CB 4.26Å; L813-A822 HydrophobicContact CD2-CB 3.82Å; D818-A822 WeakPolarHBondContact O-CB 3.27Å; D818-A822 PolarHBondContact O-N 3.08Å; C819-A822 PolarHBondContact O-N 2.69Å; A822-W825 WeakPolarHBondContact O-CB 3.23Å; A822-W825 PolarHBondContact O-N 3.17Å; A822-I826 VanDerWaalsContact O-CG1 3.31Å; A822-I826 WeakPolarHBondContact O-CG1 3.44Å; A822-I826 PolarHBondContact O-N 2.86Å; A822-M933 HydrophobicContact CB-CE 3.96Å; A822-F935 HydrophobicContact CB-CE1 4.02Å; A822-F935 HydrophobicContact CB-CZ 4.43Å
823L88.3Confident85.7Confident0 Ų048.9 Ų48.90%025%0.253CS..Hα-helixtrans-61.5-46176.3-172.887.7000111.9Q713 F716 C819 F820 W825 I826 R827 L856Q713-L823 HydrophobicContact CG-CD2 3.78Å; F716-L823 HydrophobicContact CE2-CD1 4.34Å; C819-L823 WeakPolarHBondContact O-CB 3.2Å; C819-L823 PolarHBondContact O-N 3Å; F820-L823 PolarHBondContact O-N 2.85Å; L823-W825 VanDerWaalsContact C-N 3.28Å; L823-W825 PolarHBondContact O-N 2.93Å; L823-I826 PolarHBondContact O-N 2.89Å; L823-R827 WeakPolarHBondContact O-CG 3.2Å; L823-R827 PolarHBondContact O-N 3.34Å; L823-L856 HydrophobicContact CD1-CD1 3.73Å; L823-L856 HydrophobicContact CD1-CD2 3.67Å; L823-L856 HydrophobicContact CD1-CG 4.38Å
824T88.1Confident85Confident53 Ų5356.5 Ų56.533%0.32529%0.288SS..Hα-helixtrans-59.3-43.8177-58.10000110.2F820 K821 I826 R827 S828F820-T824 WeakPolarHBondContact O-CB 3.48Å; F820-T824 PolarHBondContact O-N 3.29Å; F820-T824 PolarHBondContact O-OG1 2.75Å; K821-T824 PolarHBondContact O-N 3.25Å; T824-I826 PolarHBondContact O-N 3.15Å; T824-R827 PolarHBondContact O-N 3.46Å; T824-S828 WeakPolarHBondContact O-CB 3.45Å; T824-S828 PolarHBondContact O-N 3.34Å; T824-S828 PolarHBondContact O-OG 2.9Å; T824-S828 VanDerWaalsContact O-OG 3.07Å
825W89.1Confident84.7Confident72 Ų7254.7 Ų54.727%0.27328%0.28SS..Hα-helixtrans-60.3-45.1176.4-172.8-87.3000113.2C808 N809 F811 K821 A822 L823 R827 S828 N829C808-W825 HydrophobicContact CB-CH2 4.07Å; N809-W825 HydrophobicContact CB-CZ2 3.83Å; F811-W825 HydrophobicContact CE1-CB 4.21Å; F811-W825 HydrophobicContact CE1-CG 4.47Å; F811-W825 HydrophobicContact CE2-CB 4.48Å; F811-W825 AromaticContact CE2-CD1 3.92Å; F811-W825 HydrophobicContact CE2-CD2 4.41Å; F811-W825 HydrophobicContact CE2-CG 4.03Å; F811-W825 HydrophobicContact CZ-CB 3.63Å; F811-W825 AromaticContact CZ-CD1 3.84Å; F811-W825 AromaticContact CZ-CD2 3.81Å; F811-W825 HydrophobicContact CZ-CD2 3.81Å; F811-W825 HydrophobicContact CZ-CE3 4.33Å; F811-W825 AromaticContact CZ-CG 3.47Å; F811-W825 HydrophobicContact CZ-CG 3.47Å; F811-W825 VanDerWaalsContact CZ-CG 3.47Å; K821-W825 WeakPolarHBondContact O-CB 3.32Å; K821-W825 PolarHBondContact O-N 3.3Å; A822-W825 WeakPolarHBondContact O-CB 3.23Å; A822-W825 PolarHBondContact O-N 3.17Å; L823-W825 VanDerWaalsContact C-N 3.28Å; L823-W825 PolarHBondContact O-N 2.93Å; W825-R827 VanDerWaalsContact C-N 3.32Å; W825-R827 PolarHBondContact O-N 2.88Å; W825-S828 PolarHBondContact O-N 3.41Å; W825-N829 WeakPolarHBondContact O-CB 3.31Å; W825-N829 PolarHBondContact O-N 3.06Å; W825-N829 VanDerWaalsContact O-N 3.14Å; W825-N829 PolarHBondContact O-ND2 3.14Å
826I88.4Confident85.1Confident3 Ų353.7 Ų53.72%0.01528%0.276CS..Hα-helixtrans-58-46.5177.4-71163.5000110.5F716 A822 L823 T824 I831 T832 L853 L856 M933 F935F716-I826 HydrophobicContact CZ-CD1 4.06Å; A822-I826 VanDerWaalsContact O-CG1 3.31Å; A822-I826 WeakPolarHBondContact O-CG1 3.44Å; A822-I826 PolarHBondContact O-N 2.86Å; L823-I826 PolarHBondContact O-N 2.89Å; T824-I826 PolarHBondContact O-N 3.15Å; I826-I831 HydrophobicContact CG2-CB 4.32Å; I826-I831 PolarHBondContact O-N 3.47Å; I826-T832 HydrophobicContact CG2-CG2 4.1Å; I826-L853 HydrophobicContact CD1-CD2 3.74Å; I826-L856 HydrophobicContact CD1-CD1 4.05Å; I826-M933 HydrophobicContact CD1-CE 4.05Å; I826-M933 HydrophobicContact CD1-SD 4.09Å; I826-M933 HydrophobicContact CG1-CE 3.78Å; I826-M933 HydrophobicContact CG1-SD 3.54Å; I826-M933 VanDerWaalsContact CG1-SD 3.54Å; I826-F935 HydrophobicContact CD1-CZ 4.44Å
827R85.9Confident85.7Confident152 Ų15251.7 Ų51.757%0.57427%0.267SS*.Hα-helixtrans-68.3-39.3-178.7-70175.3176.9-176.1-2.5112.4L823 T824 W825L823-R827 WeakPolarHBondContact O-CG 3.2Å; L823-R827 PolarHBondContact O-N 3.34Å; T824-R827 PolarHBondContact O-N 3.46Å; W825-R827 VanDerWaalsContact C-N 3.32Å; W825-R827 PolarHBondContact O-N 2.88Å
828S86.5Confident86.4Confident88 Ų8849.9 Ų49.962%0.61526%0.258SS*.Hα-helixtrans-76.8-23.1-177.1-63.80000114.6T824 W825T824-S828 WeakPolarHBondContact O-CB 3.45Å; T824-S828 PolarHBondContact O-N 3.34Å; T824-S828 PolarHBondContact O-OG 2.9Å; T824-S828 VanDerWaalsContact O-OG 3.07Å; W825-S828 PolarHBondContact O-N 3.41Å
829N83.6Confident86.8Confident78 Ų7848.6 Ų48.642%0.41725%0.251SS..THydrogen-bonded Turntrans-112.518.4-172.3-66.3-80.2000114.1W825 I831W825-N829 WeakPolarHBondContact O-CB 3.31Å; W825-N829 PolarHBondContact O-N 3.06Å; W825-N829 VanDerWaalsContact O-N 3.14Å; W825-N829 PolarHBondContact O-ND2 3.14Å; N829-I831 HydrophobicContact CB-CD1 4.02Å; N829-I831 HydrophobicContact CB-CG1 4.02Å; N829-I831 PolarHBondContact O-N 3.37Å
830S80Confident87.1Confident73 Ų7348.9 Ų48.951%0.5125%0.252SS..THydrogen-bonded Turntrans48.934.2179.6-56.70000113.8T832 T833 E834S830-T832 PolarHBondContact O-N 3.33Å; S830-T833 PolarHBondContact O-N 3.45Å; S830-T833 VanDerWaalsContact O-N 3.12Å; S830-T833 PolarHBondContact O-OG1 3.24Å; S830-T833 VanDerWaalsContact O-OG1 3.11Å; S830-E834 PolarHBondContact O-N 3.36Å
831I82.2Confident87.5Confident7 Ų746 Ų464%0.03624%0.239CC..Hα-helixtrans-60.9-32-175.9-61.8-61.9000110.8I826 N829 T833 G835 V837I826-I831 HydrophobicContact CG2-CB 4.32Å; I826-I831 PolarHBondContact O-N 3.47Å; N829-I831 HydrophobicContact CB-CD1 4.02Å; N829-I831 HydrophobicContact CB-CG1 4.02Å; N829-I831 PolarHBondContact O-N 3.37Å; I831-T833 VanDerWaalsContact C-N 3.28Å; I831-T833 PolarHBondContact O-N 2.9Å; I831-G835 PolarHBondContact O-N 3.24Å; I831-G835 VanDerWaalsContact O-N 3.1Å; I831-V837 HydrophobicContact CG2-CG2 3.71Å
832T77.2Confident87.6Confident50 Ų5043.9 Ų43.931%0.30723%0.233SC..Hα-helixtrans-61-31.8178.652.90000113.3I826 S830 L856 V858I826-T832 HydrophobicContact CG2-CG2 4.1Å; S830-T832 PolarHBondContact O-N 3.33Å; T832-L856 VanDerWaalsContact CG2-O 3.28Å; T832-L856 WeakPolarHBondContact CG2-O 3.02Å; T832-V858 HydrophobicContact CG2-CG2 4.16Å
833T72.7Confident87.7Confident84 Ų8445.3 Ų45.352%0.51524%0.241SC..Hα-helixtrans-101.9-27.7-17457.80000114.4S830 I831 R862S830-T833 PolarHBondContact O-N 3.45Å; S830-T833 VanDerWaalsContact O-N 3.12Å; S830-T833 PolarHBondContact O-OG1 3.24Å; S830-T833 VanDerWaalsContact O-OG1 3.11Å; I831-T833 VanDerWaalsContact C-N 3.28Å; I831-T833 PolarHBondContact O-N 2.9Å; T833-R862 PolarHBondContact O-NH1 3.21Å; T833-R862 PolarHBondContact O-NH2 3.14Å
834E76.6Confident87.9Confident159 Ų15946 Ų4674%0.74325%0.245SC*.Hα-helixtrans-135.4-14.4-172.6-66.9-168.9179.600115.7S830S830-E834 PolarHBondContact O-N 3.36Å
835G84.9Confident88.2Confident4 Ų444 Ų444%0.04123%0.232CC..  trans-85.8142.7-170.900000115.5I831 S932I831-G835 PolarHBondContact O-N 3.24Å; I831-G835 VanDerWaalsContact O-N 3.1Å; G835-S932 WeakPolarHBondContact CA-OG 3.29Å
836N93.4Very high88.5Confident38 Ų3840.5 Ų40.520%0.20322%0.219CC..  trans-92131.8164.4-77.5-89.6000109.6R862 H864 P930 S932 M933N836-R862 WeakPolarHBondContact CA-O 3.43Å; N836-H864 PolarHBondContact OD1-NE2 3.28Å; N836-P930 HydrophobicContact CB-CB 4.46Å; N836-P930 HydrophobicContact CB-CG 4.28Å; N836-P930 VanDerWaalsContact CB-O 3.32Å; N836-P930 WeakPolarHBondContact CB-O 3.34Å; N836-S932 PolarHBondContact N-OG 2.85Å; N836-S932 VanDerWaalsContact N-OG 3.16Å; N836-S932 WeakPolarHBondContact O-CB 3.49Å; N836-S932 PolarHBondContact O-N 2.79Å; N836-M933 PolarHBondContact O-N 2.95Å
837V96.5Very high88.9Confident0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-114.3128.8-178.2-174.60000109.4I831 V839 L853 V858 R862 V863 H864 M933 F935I831-V837 HydrophobicContact CG2-CG2 3.71Å; V837-V839 HydrophobicContact CG1-CG2 4.3Å; V837-L853 HydrophobicContact CB-CD1 4.5Å; V837-L853 HydrophobicContact CG1-CD1 3.7Å; V837-V858 HydrophobicContact CG2-CG1 4.21Å; V837-R862 PolarHBondContact N-O 3.28Å; V837-V863 WeakPolarHBondContact O-CA 3.37Å; V837-H864 PolarHBondContact O-N 3.44Å; V837-M933 WeakPolarHBondContact CA-O 3.41Å; V837-M933 HydrophobicContact CG1-CB 4.31Å; V837-M933 HydrophobicContact CG2-CB 4.31Å; V837-F935 HydrophobicContact CG1-CD2 3.74Å; V837-F935 HydrophobicContact CG1-CE2 3.71Å
838I97.7Very high89.3Confident0 Ų034.7 Ų34.70%020%0.197CC..EExtended strand (participates in β ladder)trans-105.8125.1173.5-60179.8000107.9H864 V866 A918 F920 L929 C931 M933 F934 F935I838-H864 WeakPolarHBondContact CA-O 3.24Å; I838-H864 HydrophobicContact CG1-CB 4.33Å; I838-V866 HydrophobicContact CG2-CG2 3.95Å; I838-A918 HydrophobicContact CD1-CB 3.72Å; I838-F920 HydrophobicContact CD1-CE2 4.34Å; I838-F920 HydrophobicContact CG2-CZ 4.14Å; I838-L929 HydrophobicContact CD1-CB 3.83Å; I838-L929 HydrophobicContact CD1-CD1 4.25Å; I838-L929 HydrophobicContact CG1-CD1 4.49Å; I838-C931 HydrophobicContact CD1-CB 3.69Å; I838-C931 HydrophobicContact CG1-CB 4.21Å; I838-M933 PolarHBondContact N-O 3.45Å; I838-F934 HydrophobicContact CB-CD2 3.86Å; I838-F934 HydrophobicContact CB-CE2 4.22Å; I838-F934 HydrophobicContact CD1-CD2 4.3Å; I838-F934 HydrophobicContact CG2-CD2 3.86Å; I838-F934 HydrophobicContact CG2-CE2 3.69Å; I838-F934 HydrophobicContact CG2-CZ 4.4Å; I838-F934 CarbonylContact O-C 3.44Å; I838-F934 WeakPolarHBondContact O-CA 3.22Å; I838-F935 PolarHBondContact O-N 2.91Å
839V97.2Very high89.8Confident0 Ų030.5 Ų30.50%017%0.168CC..EExtended strand (participates in β ladder)trans-111.4110.3171.6-169.80000107.6V837 T846 T849 V850 L853 V863 H864 L865 V866 F935 F937V837-V839 HydrophobicContact CG1-CG2 4.3Å; V839-T846 HydrophobicContact CG1-CG2 3.8Å; V839-T849 HydrophobicContact CG1-CG2 4.41Å; V839-T849 HydrophobicContact CG2-CG2 4.48Å; V839-V850 HydrophobicContact CB-CG2 4.13Å; V839-V850 HydrophobicContact CG1-CG2 4.27Å; V839-V850 HydrophobicContact CG2-CG2 3.91Å; V839-L853 HydrophobicContact CG2-CD1 3.84Å; V839-V863 HydrophobicContact CG2-CG1 4.36Å; V839-H864 PolarHBondContact N-O 2.57Å; V839-L865 HydrophobicContact CB-CD1 4.43Å; V839-V866 PolarHBondContact O-N 3.04Å; V839-F935 HydrophobicContact CG1-CB 4.18Å; V839-F935 HydrophobicContact CG2-CB 4.48Å; V839-F935 HydrophobicContact CG2-CD2 4.24Å; V839-F937 HydrophobicContact CG1-CD2 3.8Å; V839-F937 HydrophobicContact CG1-CE2 3.87Å
840Y96.2Very high90.4Very high11 Ų1126.8 Ų26.84%0.04315%0.148CC..EExtended strand (participates in β ladder)trans-104.7106.9-173.7-176-122.4000111.7P778 V866 P868 A901 L903 F920 F934 F935 F937 C938P778-Y840 HydrophobicContact CB-CD1 4.34Å; P778-Y840 HydrophobicContact CB-CE1 4.14Å; P778-Y840 HydrophobicContact CG-CD1 4.29Å; Y840-V866 CarbonylContact C-O 3.56Å; Y840-V866 VanDerWaalsContact CA-O 3.31Å; Y840-V866 WeakPolarHBondContact CA-O 3.3Å; Y840-V866 HydrophobicContact CD2-CB 3.91Å; Y840-V866 HydrophobicContact CD2-CG1 3.77Å; Y840-V866 VanDerWaalsContact CD2-O 3.29Å; Y840-V866 WeakPolarHBondContact CD2-O 3.41Å; Y840-V866 HydrophobicContact CE2-CG1 3.99Å; Y840-P868 HydrophobicContact CE2-CB 4.16Å; Y840-A901 WeakPolarHBondContact CE2-O 3.42Å; Y840-A901 PolarHBondContact OH-O 2.77Å; Y840-L903 HydrophobicContact CE1-CB 4.39Å; Y840-L903 PolarHBondContact OH-N 3.27Å; Y840-F920 HydrophobicContact CD2-CE1 4.01Å; Y840-F920 HydrophobicContact CE2-CD1 4.49Å; Y840-F920 HydrophobicContact CE2-CE1 4.06Å; Y840-F934 HydrophobicContact CD1-CE1 4.38Å; Y840-F934 HydrophobicContact CD1-CZ 4.18Å; Y840-F934 HydrophobicContact CG-CE1 4.38Å; Y840-F934 AromaticContact CG-CZ 3.98Å; Y840-F934 HydrophobicContact CG-CZ 3.98Å; Y840-F935 PolarHBondContact N-O 2.74Å; Y840-F937 PolarHBondContact O-N 3.31Å; Y840-C938 HydrophobicContact CD1-CB 4.12Å; Y840-C938 HydrophobicContact CE1-CB 3.95Å
841G93.6Very high91.1Very high0 Ų023.5 Ų23.50%012%0.124CC..EExtended strand (participates in β ladder)trans162.3179.9-179.500000114.3V866G841-V866 PolarHBondContact N-O 3.16Å
842N90.7Very high91.6Very high50 Ų5023.2 Ų23.227%0.26712%0.123SC..  trans-142.120-18065.2-3.7000113.1T846 C876N842-T846 PolarHBondContact N-OG1 2.74Å; N842-C876 PolarHBondContact O-SG 3.25Å; N842-C876 VanDerWaalsContact O-SG 3.33Å
843T92.8Very high92.4Very high30 Ų3020.9 Ų20.918%0.18411%0.109CC..SBendtrans-89.6169.9177.364.30000111.2Y775 D845 T846 Y847 C876 F937Y775-T843 HydrophobicContact CE1-CG2 4.07Å; Y775-T843 WeakPolarHBondContact OH-CB 3.3Å; Y775-T843 PolarHBondContact OH-OG1 3.13Å; T843-D845 PolarHBondContact O-N 2.91Å; T843-T846 PolarHBondContact N-OG1 3.11Å; T843-T846 WeakPolarHBondContact O-CB 3.36Å; T843-T846 PolarHBondContact O-N 3.49Å; T843-T846 VanDerWaalsContact O-N 3.12Å; T843-T846 PolarHBondContact O-OG1 3.4Å; T843-T846 PolarHBondContact OG1-N 2.8Å; T843-T846 PolarHBondContact OG1-OG1 2.85Å; T843-Y847 WeakPolarHBondContact O-CD2 3.44Å; T843-C876 VanDerWaalsContact C-SG 3.53Å; T843-F937 WeakPolarHBondContact CG2-O 3.32Å
844I93.1Very high93.4Very high14 Ų1418.5 Ų18.57%0.0729%0.093CC..Hα-helixtrans-61.7-35.3173.7-163.572.6000112.3A718 T846 Y847 T848 C876 I877 Q1041 L1045 Y1051A718-I844 HydrophobicContact CB-CB 4.32Å; A718-I844 HydrophobicContact CB-CG1 4.13Å; A718-I844 HydrophobicContact CB-CG2 3.38Å; I844-T846 PolarHBondContact O-N 3.29Å; I844-Y847 PolarHBondContact O-N 3.13Å; I844-T848 PolarHBondContact O-N 3.05Å; I844-T848 VanDerWaalsContact O-N 3.09Å; I844-T848 PolarHBondContact O-OG1 2.93Å; I844-C876 PolarHBondContact N-SG 3.12Å; I844-I877 HydrophobicContact CD1-CG1 3.98Å; I844-Q1041 HydrophobicContact CG1-CG 4.31Å; I844-Q1041 HydrophobicContact CG2-CG 4.16Å; I844-L1045 HydrophobicContact CD1-CD1 4.34Å; I844-L1045 HydrophobicContact CD1-CD2 3.58Å; I844-L1045 HydrophobicContact CG1-CD2 4.15Å; I844-Y1051 HydrophobicContact CD1-CD1 4.34Å; I844-Y1051 HydrophobicContact CD1-CE1 4.16Å
845D95Very high94.1Very high10 Ų1014.1 Ų14.15%0.0537%0.074CC..Hα-helixtrans-60.4-27.7177.4-61.3-32.7000111.7L717 A718 Y775 T843 T848 T849 F937 K940L717-D845 HydrophobicContact CD2-CB 4.11Å; A718-D845 WeakPolarHBondContact CB-OD1 3.48Å; A718-D845 PolarHBondContact N-OD1 3.32Å; Y775-D845 HydrophobicContact CE2-CB 4.28Å; Y775-D845 VanDerWaalsContact CE2-OD2 3.32Å; Y775-D845 WeakPolarHBondContact CE2-OD2 3.48Å; Y775-D845 WeakPolarHBondContact OH-CB 3.31Å; Y775-D845 PolarHBondContact OH-OD2 3.38Å; T843-D845 PolarHBondContact O-N 2.91Å; D845-T848 VanDerWaalsContact CA-OG1 3.22Å; D845-T848 WeakPolarHBondContact CA-OG1 3.18Å; D845-T848 PolarHBondContact O-OG1 3.23Å; D845-T848 VanDerWaalsContact O-OG1 3.04Å; D845-T849 VanDerWaalsContact O-CB 3.22Å; D845-T849 WeakPolarHBondContact O-CB 3.35Å; D845-T849 PolarHBondContact O-N 3.12Å; D845-T849 PolarHBondContact O-OG1 2.92Å; D845-F937 HydrophobicContact CB-CD1 4.01Å; D845-F937 HydrophobicContact CB-CE1 4.07Å; D845-K940 IonicContact OD2-NZ 3.52Å; D845-K940 PolarHBondContact OD2-NZ 3.02Å
846T95.1Very high94.3Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-62.6-47.4174.3-56.40000110.7V839 N842 T843 I844 V850 L865 F937V839-T846 HydrophobicContact CG1-CG2 3.8Å; N842-T846 PolarHBondContact N-OG1 2.74Å; T843-T846 PolarHBondContact N-OG1 3.11Å; T843-T846 WeakPolarHBondContact O-CB 3.36Å; T843-T846 PolarHBondContact O-N 3.49Å; T843-T846 VanDerWaalsContact O-N 3.12Å; T843-T846 PolarHBondContact O-OG1 3.4Å; T843-T846 PolarHBondContact OG1-N 2.8Å; T843-T846 PolarHBondContact OG1-OG1 2.85Å; I844-T846 PolarHBondContact O-N 3.29Å; T846-V850 WeakPolarHBondContact O-CG2 3.4Å; T846-V850 PolarHBondContact O-N 3.5Å; T846-V850 VanDerWaalsContact O-N 3.09Å; T846-L865 HydrophobicContact CG2-CD1 3.26Å; T846-F937 VanDerWaalsContact OG1-CB 3.31Å; T846-F937 WeakPolarHBondContact OG1-CB 3.34Å
847Y95.8Very high94.1Very high32 Ų3216 Ų1613%0.12510%0.095CC..Hα-helixtrans-72.4-40.8-177.9-64.7-70.9000112T843 I844 T849 V850 E851 L865 Q867 I877 V886 L890 P1046T843-Y847 WeakPolarHBondContact O-CD2 3.44Å; I844-Y847 PolarHBondContact O-N 3.13Å; Y847-T849 VanDerWaalsContact C-N 3.32Å; Y847-T849 PolarHBondContact O-N 3.45Å; Y847-V850 PolarHBondContact O-N 3.06Å; Y847-E851 PolarHBondContact O-N 3.08Å; Y847-L865 HydrophobicContact CD1-CD2 4.49Å; Y847-L865 HydrophobicContact CE1-CD2 4.03Å; Y847-Q867 PolarHBondContact OH-NE2 3.44Å; Y847-I877 HydrophobicContact CE2-CD1 4.46Å; Y847-V886 HydrophobicContact CD1-CG1 3.81Å; Y847-V886 HydrophobicContact CE1-CG1 4.06Å; Y847-V886 HydrophobicContact CG-CG1 4.45Å; Y847-L890 HydrophobicContact CD1-CD1 4.13Å; Y847-L890 HydrophobicContact CE1-CD1 3.96Å; Y847-P1046 HydrophobicContact CD1-CG 4.3Å; Y847-P1046 WeakPolarHBondContact O-CD 3.3Å
848T95.4Very high93.8Very high0 Ų016.2 Ų16.20%010%0.096CC..Hα-helixtrans-64.8-37.1176560000111.6K715 F716 A718 I844 D845 E851 T852 I1044 L1045K715-T848 CarbonylContact O-C 3.38Å; K715-T848 WeakPolarHBondContact O-CB 3.19Å; F716-T848 PolarHBondContact O-OG1 3.45Å; A718-T848 HydrophobicContact CB-CG2 4.39Å; I844-T848 PolarHBondContact O-N 3.05Å; I844-T848 VanDerWaalsContact O-N 3.09Å; I844-T848 PolarHBondContact O-OG1 2.93Å; D845-T848 VanDerWaalsContact CA-OG1 3.22Å; D845-T848 WeakPolarHBondContact CA-OG1 3.18Å; D845-T848 PolarHBondContact O-OG1 3.23Å; D845-T848 VanDerWaalsContact O-OG1 3.04Å; T848-E851 PolarHBondContact O-N 3.25Å; T848-T852 WeakPolarHBondContact O-CB 3.34Å; T848-T852 PolarHBondContact O-N 3.43Å; T848-T852 PolarHBondContact O-OG1 3.12Å; T848-I1044 WeakPolarHBondContact CA-O 3.47Å; T848-L1045 HydrophobicContact CG2-CD2 4.04Å
849T95.7Very high93.6Very high0 Ų019 Ų190%012%0.115CC..Hα-helixtrans-64.5-44.4172.9-67.90000112.1F716 V839 D845 Y847 E851 T852 L853 F935 F937F716-T849 HydrophobicContact CD1-CG2 3.85Å; F716-T849 HydrophobicContact CE1-CG2 4.19Å; F716-T849 PolarHBondContact O-N 3.3Å; F716-T849 PolarHBondContact O-OG1 3.28Å; V839-T849 HydrophobicContact CG1-CG2 4.41Å; V839-T849 HydrophobicContact CG2-CG2 4.48Å; D845-T849 VanDerWaalsContact O-CB 3.22Å; D845-T849 WeakPolarHBondContact O-CB 3.35Å; D845-T849 PolarHBondContact O-N 3.12Å; D845-T849 PolarHBondContact O-OG1 2.92Å; Y847-T849 VanDerWaalsContact C-N 3.32Å; Y847-T849 PolarHBondContact O-N 3.45Å; T849-E851 PolarHBondContact O-N 3.48Å; T849-T852 WeakPolarHBondContact O-CB 3.27Å; T849-T852 PolarHBondContact O-N 2.85Å; T849-L853 HydrophobicContact CG2-CD1 4.09Å; T849-L853 HydrophobicContact CG2-CG 4.45Å; T849-L853 VanDerWaalsContact O-CG 3.31Å; T849-L853 WeakPolarHBondContact O-CG 3.4Å; T849-L853 PolarHBondContact O-N 2.97Å; T849-F935 HydrophobicContact CG2-CD1 4.18Å; T849-F935 HydrophobicContact CG2-CD2 4.32Å; T849-F935 HydrophobicContact CG2-CE1 4.38Å; T849-F935 HydrophobicContact CG2-CG 4.12Å; T849-F937 HydrophobicContact CG2-CE2 3.83Å; T849-F937 HydrophobicContact CG2-CZ 4.16Å; T849-F937 WeakPolarHBondContact OG1-CE2 3.37Å; T849-F937 WeakPolarHBondContact OG1-CZ 3.44Å
850V96.3Very high93.4Very high0 Ų019.2 Ų19.20%012%0.118CC..Hα-helixtrans-59.6-48176.2170.40000111V839 T846 Y847 T852 L853 L854 V863 L890 V895 P1046V839-V850 HydrophobicContact CB-CG2 4.13Å; V839-V850 HydrophobicContact CG1-CG2 4.27Å; V839-V850 HydrophobicContact CG2-CG2 3.91Å; T846-V850 WeakPolarHBondContact O-CG2 3.4Å; T846-V850 PolarHBondContact O-N 3.5Å; T846-V850 VanDerWaalsContact O-N 3.09Å; Y847-V850 PolarHBondContact O-N 3.06Å; V850-T852 VanDerWaalsContact C-N 3.28Å; V850-T852 PolarHBondContact O-N 3.38Å; V850-L853 PolarHBondContact O-N 3.23Å; V850-L854 HydrophobicContact CG1-CD1 4.23Å; V850-L854 WeakPolarHBondContact O-CG 3.41Å; V850-L854 PolarHBondContact O-N 3.48Å; V850-V863 HydrophobicContact CG1-CG1 4.22Å; V850-V863 HydrophobicContact CG2-CG1 4.24Å; V850-L890 HydrophobicContact CG1-CD2 3.59Å; V850-V895 HydrophobicContact CG1-CG1 4.45Å; V850-V895 HydrophobicContact CG1-CG2 4.17Å; V850-P1046 HydrophobicContact CG1-CG 4.44Å
851E95Very high93.3Very high4 Ų422 Ų222%0.01914%0.139CC..Hα-helixtrans-60.5-38176.3175.860.1-162.300112.2Y847 T848 T849 L854 N855 I1044 P1046 G1047 S1048Y847-E851 PolarHBondContact O-N 3.08Å; T848-E851 PolarHBondContact O-N 3.25Å; T849-E851 PolarHBondContact O-N 3.48Å; E851-L854 PolarHBondContact O-N 3.46Å; E851-N855 WeakPolarHBondContact O-CB 3.05Å; E851-N855 PolarHBondContact O-N 3.16Å; E851-N855 PolarHBondContact O-ND2 2.91Å; E851-N855 PolarHBondContact OE1-ND2 3.45Å; E851-I1044 HydrophobicContact CG-CB 4.34Å; E851-I1044 HydrophobicContact CG-CG2 3.8Å; E851-P1046 WeakPolarHBondContact OE2-CA 3.38Å; E851-G1047 PolarHBondContact OE2-N 2.99Å; E851-S1048 WeakPolarHBondContact OE1-CA 3.45Å; E851-S1048 WeakPolarHBondContact OE1-CB 3.38Å; E851-S1048 PolarHBondContact OE1-N 3.13Å; E851-S1048 PolarHBondContact OE1-OG 3.07Å; E851-S1048 PolarHBondContact OE2-N 3.48Å
852T93.6Very high93.3Very high2 Ų225.7 Ų25.71%0.01215%0.153CC..Hα-helixtrans-63.9-43.9175.7-57.30000111.5K715 F716 T848 T849 V850 L854 N855 L856K715-T852 HydrophobicContact CB-CG2 4.06Å; K715-T852 WeakPolarHBondContact CB-OG1 3.24Å; K715-T852 PolarHBondContact O-OG1 2.98Å; F716-T852 HydrophobicContact CD1-CG2 3.94Å; F716-T852 HydrophobicContact CD2-CG2 3.82Å; F716-T852 HydrophobicContact CE1-CG2 3.76Å; F716-T852 HydrophobicContact CE2-CG2 3.65Å; F716-T852 HydrophobicContact CG-CG2 3.96Å; F716-T852 HydrophobicContact CZ-CG2 3.61Å; F716-T852 PolarHBondContact N-OG1 3.41Å; T848-T852 WeakPolarHBondContact O-CB 3.34Å; T848-T852 PolarHBondContact O-N 3.43Å; T848-T852 PolarHBondContact O-OG1 3.12Å; T849-T852 WeakPolarHBondContact O-CB 3.27Å; T849-T852 PolarHBondContact O-N 2.85Å; V850-T852 VanDerWaalsContact C-N 3.28Å; V850-T852 PolarHBondContact O-N 3.38Å; T852-L854 VanDerWaalsContact C-N 3.33Å; T852-L854 PolarHBondContact O-N 2.89Å; T852-N855 PolarHBondContact O-N 2.89Å; T852-L856 HydrophobicContact CG2-CD1 4.02Å; T852-L856 HydrophobicContact CG2-CG 4.39Å; T852-L856 WeakPolarHBondContact O-CB 2.96Å; T852-L856 VanDerWaalsContact O-CG 3.26Å; T852-L856 WeakPolarHBondContact O-CG 3.45Å; T852-L856 PolarHBondContact O-N 3.14Å
853L93.3Very high93.6Very high0 Ų023.3 Ų23.30%014%0.14CC..Hα-helixtrans-61.2-42176.9-68.6166.2000111.9F716 I826 V837 V839 T849 V850 L856 G857 V858 F935F716-L853 HydrophobicContact CE1-CD2 4.49Å; I826-L853 HydrophobicContact CD1-CD2 3.74Å; V837-L853 HydrophobicContact CB-CD1 4.5Å; V837-L853 HydrophobicContact CG1-CD1 3.7Å; V839-L853 HydrophobicContact CG2-CD1 3.84Å; T849-L853 HydrophobicContact CG2-CD1 4.09Å; T849-L853 HydrophobicContact CG2-CG 4.45Å; T849-L853 VanDerWaalsContact O-CG 3.31Å; T849-L853 WeakPolarHBondContact O-CG 3.4Å; T849-L853 PolarHBondContact O-N 2.97Å; V850-L853 PolarHBondContact O-N 3.23Å; L853-L856 PolarHBondContact O-N 3.44Å; L853-G857 PolarHBondContact O-N 3.01Å; L853-V858 HydrophobicContact CB-CB 4.36Å; L853-V858 HydrophobicContact CB-CG2 4.31Å; L853-V858 HydrophobicContact CD2-CG2 4.33Å; L853-V858 VanDerWaalsContact O-CB 3.28Å; L853-V858 WeakPolarHBondContact O-CB 3.43Å; L853-V858 WeakPolarHBondContact O-CG2 3.35Å; L853-V858 PolarHBondContact O-N 3.01Å; L853-F935 HydrophobicContact CD1-CD2 4.31Å; L853-F935 HydrophobicContact CD1-CE2 3.96Å; L853-F935 HydrophobicContact CD2-CE2 3.91Å; L853-F935 HydrophobicContact CD2-CZ 4.18Å; L853-F935 HydrophobicContact CG-CE2 4.44Å
854L93.1Very high93.8Very high35 Ų3522.5 Ų22.518%0.18313%0.134CC..Hα-helixtrans-62-45.5175.7-65.8173.5000111.2V850 E851 T852 L856 G857 A893 V895V850-L854 HydrophobicContact CG1-CD1 4.23Å; V850-L854 WeakPolarHBondContact O-CG 3.41Å; V850-L854 PolarHBondContact O-N 3.48Å; E851-L854 PolarHBondContact O-N 3.46Å; T852-L854 VanDerWaalsContact C-N 3.33Å; T852-L854 PolarHBondContact O-N 2.89Å; L854-L856 VanDerWaalsContact C-N 3.32Å; L854-L856 PolarHBondContact O-N 3.31Å; L854-G857 PolarHBondContact O-N 3.48Å; L854-A893 HydrophobicContact CD1-CB 3.87Å; L854-A893 HydrophobicContact CD2-CB 4.31Å; L854-V895 HydrophobicContact CD1-CG2 4.36Å; L854-V895 HydrophobicContact CD2-CG2 4.3Å
855N90.8Very high94Very high66 Ų6621.9 Ų21.935%0.35313%0.131SC..Hα-helixtrans-65.4-32.2177.6-76.6-44.1000113.3E851 T852 G857E851-N855 WeakPolarHBondContact O-CB 3.05Å; E851-N855 PolarHBondContact O-N 3.16Å; E851-N855 PolarHBondContact O-ND2 2.91Å; E851-N855 PolarHBondContact OE1-ND2 3.45Å; T852-N855 PolarHBondContact O-N 2.89Å; N855-G857 PolarHBondContact O-N 2.71Å
856L89.3Confident94.1Very high33 Ų3321.4 Ų21.417%0.17313%0.128CC..THydrogen-bonded Turntrans-72.5-1.6172.8-69171.5000113.2F716 L823 I826 T832 T852 L853 L854F716-L856 HydrophobicContact CE2-CD1 4.43Å; F716-L856 HydrophobicContact CZ-CD1 3.9Å; L823-L856 HydrophobicContact CD1-CD1 3.73Å; L823-L856 HydrophobicContact CD1-CD2 3.67Å; L823-L856 HydrophobicContact CD1-CG 4.38Å; I826-L856 HydrophobicContact CD1-CD1 4.05Å; T832-L856 VanDerWaalsContact CG2-O 3.28Å; T832-L856 WeakPolarHBondContact CG2-O 3.02Å; T852-L856 HydrophobicContact CG2-CD1 4.02Å; T852-L856 HydrophobicContact CG2-CG 4.39Å; T852-L856 WeakPolarHBondContact O-CB 2.96Å; T852-L856 VanDerWaalsContact O-CG 3.26Å; T852-L856 WeakPolarHBondContact O-CG 3.45Å; T852-L856 PolarHBondContact O-N 3.14Å; L853-L856 PolarHBondContact O-N 3.44Å; L854-L856 VanDerWaalsContact C-N 3.32Å; L854-L856 PolarHBondContact O-N 3.31Å
857G89.1Confident94.1Very high49 Ų4922.7 Ų22.751%0.50514%0.135SC..THydrogen-bonded Turntrans9212.4176.300000115L853 L854 N855 S859L853-G857 PolarHBondContact O-N 3.01Å; L854-G857 PolarHBondContact O-N 3.48Å; N855-G857 PolarHBondContact O-N 2.71Å; G857-S859 PolarHBondContact O-N 3.16Å
858V91.6Very high93.8Very high4 Ų421.7 Ų21.72%0.02413%0.132CC..  trans-71.3123.3171.6-175.50000108.8T832 V837 L853 G860 V863T832-V858 HydrophobicContact CG2-CG2 4.16Å; V837-V858 HydrophobicContact CG2-CG1 4.21Å; L853-V858 HydrophobicContact CB-CB 4.36Å; L853-V858 HydrophobicContact CB-CG2 4.31Å; L853-V858 HydrophobicContact CD2-CG2 4.33Å; L853-V858 VanDerWaalsContact O-CB 3.28Å; L853-V858 WeakPolarHBondContact O-CB 3.43Å; L853-V858 WeakPolarHBondContact O-CG2 3.35Å; L853-V858 PolarHBondContact O-N 3.01Å; V858-G860 PolarHBondContact O-N 3.45Å; V858-V863 HydrophobicContact CB-CG2 4.5Å; V858-V863 HydrophobicContact CG1-CG2 3.79Å
859S92.7Very high93.5Very high58 Ų5824.1 Ų24.141%0.40615%0.148SC..  trans-60.1127.4176.6-1790000111G857 S861 R862G857-S859 PolarHBondContact O-N 3.16Å; S859-S861 PolarHBondContact O-N 3.27Å; S859-S861 VanDerWaalsContact O-N 3.14Å; S859-S861 PolarHBondContact OG-OG 3.28Å; S859-R862 WeakPolarHBondContact O-CB 3.41Å; S859-R862 PolarHBondContact O-N 3.12Å
860G93.1Very high92.7Very high5 Ų528 Ų285%0.05217%0.173CC..G310 helixtrans-59.5-28.6-178.300000114V858 R862 V863 A893 G894 V895V858-G860 PolarHBondContact O-N 3.45Å; G860-R862 PolarHBondContact O-N 3.29Å; G860-V863 PolarHBondContact O-N 2.75Å; G860-A893 VanDerWaalsContact CA-O 3.27Å; G860-A893 WeakPolarHBondContact CA-O 3.29Å; G860-G894 CarbonylContact C-O 3.42Å; G860-G894 CarbonylContact O-C 3.48Å; G860-G894 VanDerWaalsContact O-O 3.1Å; G860-V895 WeakPolarHBondContact O-CA 3.48Å
861S94.5Very high91.6Very high70 Ų7033.3 Ų33.349%0.4922%0.217SC..G310 helixtrans-56.9-16.2172660000114.9S859 G894S859-S861 PolarHBondContact O-N 3.27Å; S859-S861 VanDerWaalsContact O-N 3.14Å; S859-S861 PolarHBondContact OG-OG 3.28Å; S861-G894 VanDerWaalsContact CA-O 3.32Å; S861-G894 WeakPolarHBondContact CA-O 3.46Å; S861-G894 PolarHBondContact N-O 3.04Å
862R94.1Very high90.8Very high77 Ų7736 Ų3629%0.29124%0.236SC..G310 helixtrans-111.30.3-179.3-58.3-175.4178.3-178.81113.3T833 N836 V837 S859 G860T833-R862 PolarHBondContact O-NH1 3.21Å; T833-R862 PolarHBondContact O-NH2 3.14Å; N836-R862 WeakPolarHBondContact CA-O 3.43Å; V837-R862 PolarHBondContact N-O 3.28Å; S859-R862 WeakPolarHBondContact O-CB 3.41Å; S859-R862 PolarHBondContact O-N 3.12Å; G860-R862 PolarHBondContact O-N 3.29Å
863V96.7Very high90.1Very high0 Ų042.2 Ų42.20%027%0.274CS..EExtended strand (participates in β ladder)trans-95.8119.3173-175.70000107.7V837 V839 V850 V858 G860 V895 T896V837-V863 WeakPolarHBondContact O-CA 3.37Å; V839-V863 HydrophobicContact CG2-CG1 4.36Å; V850-V863 HydrophobicContact CG1-CG1 4.22Å; V850-V863 HydrophobicContact CG2-CG1 4.24Å; V858-V863 HydrophobicContact CB-CG2 4.5Å; V858-V863 HydrophobicContact CG1-CG2 3.79Å; G860-V863 PolarHBondContact O-N 2.75Å; V863-V895 HydrophobicContact CB-CG1 4.26Å; V863-V895 HydrophobicContact CB-CG2 4.27Å; V863-V895 HydrophobicContact CG1-CG1 4.1Å; V863-V895 WeakPolarHBondContact O-CG1 3.49Å; V863-T896 PolarHBondContact O-N 3.04Å
864H97.4Very high89.7Confident14 Ų1443.9 Ų43.97%0.06528%0.283CS..EExtended strand (participates in β ladder)trans-109.2107.2177.6-56.4-80.9000108.5N836 V837 I838 V839 Y898 L929N836-H864 PolarHBondContact OD1-NE2 3.28Å; V837-H864 PolarHBondContact O-N 3.44Å; I838-H864 WeakPolarHBondContact CA-O 3.24Å; I838-H864 HydrophobicContact CG1-CB 4.33Å; V839-H864 PolarHBondContact N-O 2.57Å; H864-Y898 HydrophobicContact CB-CE2 4.22Å; H864-Y898 AromaticContact ND1-CE2 3.83Å; H864-L929 HydrophobicContact CB-CD1 3.73Å
865L97.3Very high89.6Confident0 Ų045.3 Ų45.30%029%0.293CS..EExtended strand (participates in β ladder)trans-86.6112.5174.4173.757.3000108.8V839 T846 Y847 Q867 L890 V895 T896 I897 Y898V839-L865 HydrophobicContact CB-CD1 4.43Å; T846-L865 HydrophobicContact CG2-CD1 3.26Å; Y847-L865 HydrophobicContact CD1-CD2 4.49Å; Y847-L865 HydrophobicContact CE1-CD2 4.03Å; L865-Q867 HydrophobicContact CD1-CG 4.48Å; L865-Q867 HydrophobicContact CG-CG 4.27Å; L865-L890 HydrophobicContact CD2-CD1 3.94Å; L865-V895 HydrophobicContact CB-CG1 4.11Å; L865-T896 PolarHBondContact N-O 2.86Å; L865-I897 HydrophobicContact CB-CG1 4.4Å; L865-I897 HydrophobicContact CD2-CG1 4.28Å; L865-I897 HydrophobicContact CD2-CG2 4.42Å; L865-I897 HydrophobicContact CG-CG2 4.42Å; L865-I897 CarbonylContact O-C 3.55Å; L865-I897 WeakPolarHBondContact O-CA 3.31Å; L865-Y898 PolarHBondContact O-N 2.94Å
866V96.6Very high89.5Confident0 Ų044 Ų440%029%0.288CS..EExtended strand (participates in β ladder)trans-112.4116.4-177.7-1750000109I838 V839 Y840 G841 Y898 A901 F920 L929I838-V866 HydrophobicContact CG2-CG2 3.95Å; V839-V866 PolarHBondContact O-N 3.04Å; Y840-V866 CarbonylContact C-O 3.56Å; Y840-V866 VanDerWaalsContact CA-O 3.31Å; Y840-V866 WeakPolarHBondContact CA-O 3.3Å; Y840-V866 HydrophobicContact CD2-CB 3.91Å; Y840-V866 HydrophobicContact CD2-CG1 3.77Å; Y840-V866 VanDerWaalsContact CD2-O 3.29Å; Y840-V866 WeakPolarHBondContact CD2-O 3.41Å; Y840-V866 HydrophobicContact CE2-CG1 3.99Å; G841-V866 PolarHBondContact N-O 3.16Å; V866-Y898 HydrophobicContact CG2-CD2 4Å; V866-Y898 HydrophobicContact CG2-CG 4.48Å; V866-A901 HydrophobicContact CG1-CB 3.46Å; V866-A901 VanDerWaalsContact CG1-CB 3.46Å; V866-F920 HydrophobicContact CB-CE1 4.35Å; V866-F920 HydrophobicContact CB-CZ 4.33Å; V866-F920 HydrophobicContact CG1-CD1 3.77Å; V866-F920 HydrophobicContact CG1-CE1 3.63Å; V866-F920 HydrophobicContact CG1-CE2 4.48Å; V866-F920 HydrophobicContact CG1-CG 4.28Å; V866-F920 HydrophobicContact CG1-CZ 4Å; V866-F920 HydrophobicContact CG2-CE2 4.27Å; V866-F920 HydrophobicContact CG2-CZ 4.12Å; V866-L929 HydrophobicContact CG2-CD1 3.91Å
867Q93.9Very high89.6Confident28 Ų2842.6 Ų42.613%0.13128%0.281CS..PPolyproline II helixtrans-101.8121.8-176.1-56.8-172.4-57.500110.1Y847 L865 I897 Y898 D900 A901Y847-Q867 PolarHBondContact OH-NE2 3.44Å; L865-Q867 HydrophobicContact CD1-CG 4.48Å; L865-Q867 HydrophobicContact CG-CG 4.27Å; Q867-I897 HydrophobicContact CG-CG2 4.48Å; Q867-Y898 PolarHBondContact N-O 3.28Å; Q867-D900 PolarHBondContact O-N 3.32Å; Q867-D900 VanDerWaalsContact O-N 3.1Å; Q867-A901 PolarHBondContact O-N 2.76Å
868P90.9Very high89.8Confident10 Ų1042.3 Ų42.37%0.06527%0.268CS..PPolyproline II helixtrans-65.5160.6172.528.7-34.4000111.3Y840 A901Y840-P868 HydrophobicContact CE2-CB 4.16Å; P868-A901 WeakPolarHBondContact CA-O 3.19Å
869P88.1Confident89.9Confident52 Ų5242.5 Ų42.534%0.33827%0.269SS..PPolyproline II helixtrans-51.9132.4168.8-23.633.4000110.2A871 I902P869-A871 PolarHBondContact O-N 3.4Å; P869-I902 HydrophobicContact CG-CD1 3.98Å; P869-I902 HydrophobicContact CG-CG1 3.66Å
870P79.3Confident90Very high81 Ų8147.9 Ų47.953%0.52628%0.282SS..PPolyproline II helixtrans-69131.6-172.228.1-35000111.2S872P870-S872 VanDerWaalsContact C-N 3.26Å; P870-S872 WeakPolarHBondContact CB-O 3.2Å; P870-S872 PolarHBondContact O-N 2.96Å
871A73.4Confident90.1Very high111 Ų11150.3 Ų50.392%0.91730%0.297SS*.SBendtrans-73.7-19.1175.500000113P869P869-A871 PolarHBondContact O-N 3.4Å
872S77.1Confident90.2Very high60 Ų6047 Ų4742%0.4227%0.274SS..SBendtrans-136.4152178176.40000109.2P870 I874P870-S872 VanDerWaalsContact C-N 3.26Å; P870-S872 WeakPolarHBondContact CB-O 3.2Å; P870-S872 PolarHBondContact O-N 2.96Å; S872-I874 PolarHBondContact O-N 2.84Å; S872-I874 PolarHBondContact OG-N 3.43Å
873T79.7Confident90.2Very high134 Ų13445.8 Ų45.882%0.82227%0.272SS*.SBendtrans-67.9-11.4171.649.30000113
874I85.5Confident90.2Very high34 Ų3447 Ų4717%0.17428%0.28CS..SBendtrans-96.6125.6-178.1-53.9162.6000109.6S872 N878 P1060 P1062S872-I874 PolarHBondContact O-N 2.84Å; S872-I874 PolarHBondContact OG-N 3.43Å; I874-N878 HydrophobicContact CG2-CB 4.02Å; I874-P1060 HydrophobicContact CD1-CB 3.68Å; I874-P1060 WeakPolarHBondContact CD1-O 3.33Å; I874-P1062 HydrophobicContact CD1-CG 4.36Å; I874-P1062 HydrophobicContact CG1-CB 4.46Å; I874-P1062 HydrophobicContact CG1-CG 3.75Å
875T89.7Confident90.2Very high66 Ų6646.3 Ų46.341%0.40528%0.277SS..  trans-74.3163174.562.20000111.5I877 N878 E883T875-I877 PolarHBondContact O-N 3.2Å; T875-N878 PolarHBondContact O-N 3.34Å; T875-N878 WeakPolarHBondContact OG1-CA 3.22Å; T875-N878 PolarHBondContact OG1-N 3.4Å; T875-E883 WeakPolarHBondContact CB-OE1 3.26Å; T875-E883 PolarHBondContact OG1-OE1 2.68Å
876C89Confident90.2Very high37 Ų3746.5 Ų46.525%0.2528%0.278CS..SBendtrans-71.6-11.3178.668.90000114.9N842 T843 I844 Q1041N842-C876 PolarHBondContact O-SG 3.25Å; N842-C876 VanDerWaalsContact O-SG 3.33Å; T843-C876 VanDerWaalsContact C-SG 3.53Å; I844-C876 PolarHBondContact N-SG 3.12Å; C876-Q1041 PolarHBondContact O-NE2 3.11Å; C876-Q1041 VanDerWaalsContact O-NE2 3.1Å
877I92.3Very high90.1Very high5 Ų548.1 Ų48.13%0.02629%0.292CS..SBendtrans-102.8-34.9176.6-64.4175.3000110.3I844 Y847 T875 N879 V882 E883 V886 L1045I844-I877 HydrophobicContact CD1-CG1 3.98Å; Y847-I877 HydrophobicContact CE2-CD1 4.46Å; T875-I877 PolarHBondContact O-N 3.2Å; I877-N879 HydrophobicContact CG2-CB 4.18Å; I877-N879 PolarHBondContact O-N 3.14Å; I877-V882 HydrophobicContact CD1-CG1 4.48Å; I877-V882 HydrophobicContact CG2-CB 3.81Å; I877-V882 HydrophobicContact CG2-CG1 3.59Å; I877-E883 HydrophobicContact CB-CG 3.84Å; I877-E883 HydrophobicContact CD1-CG 4.17Å; I877-E883 HydrophobicContact CG2-CG 3.93Å; I877-V886 HydrophobicContact CD1-CG2 4.42Å; I877-L1045 HydrophobicContact CD1-CD1 4.44Å
878N92.9Very high90.2Very high42 Ų4250.3 Ų50.323%0.22531%0.305CS..  trans49.640.1179.8-165.227.2000113I874 T875 E883 T1061 L1063I874-N878 HydrophobicContact CG2-CB 4.02Å; T875-N878 PolarHBondContact O-N 3.34Å; T875-N878 WeakPolarHBondContact OG1-CA 3.22Å; T875-N878 PolarHBondContact OG1-N 3.4Å; N878-E883 PolarHBondContact N-OE1 3.07Å; N878-T1061 PolarHBondContact ND2-O 3.27Å; N878-L1063 PolarHBondContact ND2-N 3.1Å; N878-L1063 VanDerWaalsContact O-CB 3.3Å; N878-L1063 WeakPolarHBondContact O-CB 3.33Å; N878-L1063 WeakPolarHBondContact O-CD2 3.46Å; N878-L1063 PolarHBondContact OD1-N 3.24Å
879N94.5Very high90.5Very high8 Ų850.5 Ų50.54%0.04331%0.307CS..  trans-153.3107.6178-176.8-49000109.7I877 S881 V882 E883 L1063 Y1086I877-N879 HydrophobicContact CG2-CB 4.18Å; I877-N879 PolarHBondContact O-N 3.14Å; N879-S881 VanDerWaalsContact C-N 3.31Å; N879-S881 PolarHBondContact O-N 3.03Å; N879-S881 WeakPolarHBondContact OD1-CB 3.33Å; N879-S881 PolarHBondContact OD1-N 2.73Å; N879-S881 VanDerWaalsContact OD1-N 3.12Å; N879-V882 HydrophobicContact CB-CB 4.25Å; N879-V882 HydrophobicContact CB-CG2 4.24Å; N879-V882 PolarHBondContact O-N 3.18Å; N879-V882 PolarHBondContact OD1-N 2.92Å; N879-E883 PolarHBondContact N-OE1 3.11Å; N879-E883 WeakPolarHBondContact O-CB 2.94Å; N879-E883 WeakPolarHBondContact O-CG 3.2Å; N879-E883 PolarHBondContact O-N 3.41Å; N879-L1063 HydrophobicContact CB-CD2 4.36Å; N879-Y1086 PolarHBondContact ND2-OH 3.41Å; N879-Y1086 VanDerWaalsContact ND2-OH 3.13Å
880Y93.9Very high90.9Very high172 Ų17248.1 Ų48.168%0.67529%0.292SS*.Hα-helixtrans-57.4-39.6-174.5179.2-98.5000113.8V882 E883 S884Y880-V882 PolarHBondContact O-N 3.28Å; Y880-E883 PolarHBondContact O-N 3.48Å; Y880-S884 WeakPolarHBondContact O-CB 3.33Å; Y880-S884 PolarHBondContact O-N 2.87Å
881S94.9Very high91.7Very high55 Ų5547.6 Ų47.639%0.38529%0.294SS..Hα-helixtrans-64.9-41.9-179.5-63.60000111.8N879 A885 A1081N879-S881 VanDerWaalsContact C-N 3.31Å; N879-S881 PolarHBondContact O-N 3.03Å; N879-S881 WeakPolarHBondContact OD1-CB 3.33Å; N879-S881 PolarHBondContact OD1-N 2.73Å; N879-S881 VanDerWaalsContact OD1-N 3.12Å; S881-A885 PolarHBondContact O-N 3.48Å; S881-A1081 WeakPolarHBondContact O-CB 2.87Å
882V96.6Very high92.7Very high0 Ų046.6 Ų46.60%029%0.285CS..Hα-helixtrans-70.1-44.4176.3176.30000110.5I877 N879 Y880 S884 A885 V886 Y1051 Y1086 T1101 L1103I877-V882 HydrophobicContact CD1-CG1 4.48Å; I877-V882 HydrophobicContact CG2-CB 3.81Å; I877-V882 HydrophobicContact CG2-CG1 3.59Å; N879-V882 HydrophobicContact CB-CB 4.25Å; N879-V882 HydrophobicContact CB-CG2 4.24Å; N879-V882 PolarHBondContact O-N 3.18Å; N879-V882 PolarHBondContact OD1-N 2.92Å; Y880-V882 PolarHBondContact O-N 3.28Å; V882-S884 VanDerWaalsContact C-N 3.34Å; V882-S884 PolarHBondContact O-N 3.26Å; V882-A885 PolarHBondContact O-N 3.19Å; V882-V886 HydrophobicContact CG1-CG2 4.43Å; V882-V886 WeakPolarHBondContact O-CG2 3.39Å; V882-V886 PolarHBondContact O-N 2.88Å; V882-Y1051 HydrophobicContact CG1-CD2 4.26Å; V882-Y1051 HydrophobicContact CG1-CE2 4.06Å; V882-Y1086 HydrophobicContact CG2-CD1 4Å; V882-Y1086 HydrophobicContact CG2-CE1 3.82Å; V882-T1101 HydrophobicContact CG2-CG2 4.26Å; V882-L1103 HydrophobicContact CG1-CD1 4.08Å; V882-L1103 HydrophobicContact CG1-CD2 4.1Å; V882-L1103 HydrophobicContact CG2-CB 4.44Å; V882-L1103 HydrophobicContact CG2-CD2 4.46Å
883E95.1Very high93.6Very high52 Ų5245.7 Ų45.724%0.24328%0.282CS..Hα-helixtrans-59.4-43.2177.3-73.9167.9-15600112.4T875 I877 N878 N879 Y880 V886 A887T875-E883 WeakPolarHBondContact CB-OE1 3.26Å; T875-E883 PolarHBondContact OG1-OE1 2.68Å; I877-E883 HydrophobicContact CB-CG 3.84Å; I877-E883 HydrophobicContact CD1-CG 4.17Å; I877-E883 HydrophobicContact CG2-CG 3.93Å; N878-E883 PolarHBondContact N-OE1 3.07Å; N879-E883 PolarHBondContact N-OE1 3.11Å; N879-E883 WeakPolarHBondContact O-CB 2.94Å; N879-E883 WeakPolarHBondContact O-CG 3.2Å; N879-E883 PolarHBondContact O-N 3.41Å; Y880-E883 PolarHBondContact O-N 3.48Å; E883-V886 PolarHBondContact O-N 3.35Å; E883-A887 WeakPolarHBondContact O-CB 3.46Å; E883-A887 PolarHBondContact O-N 3.47Å
884S96.1Very high94.4Very high25 Ų2540.9 Ų40.918%0.17526%0.259CS..Hα-helixtrans-62.9-41.5175.6177.60000111.6Y880 V882 A887 D888Y880-S884 WeakPolarHBondContact O-CB 3.33Å; Y880-S884 PolarHBondContact O-N 2.87Å; V882-S884 VanDerWaalsContact C-N 3.34Å; V882-S884 PolarHBondContact O-N 3.26Å; S884-A887 PolarHBondContact O-N 3.26Å; S884-D888 WeakPolarHBondContact O-CB 3.32Å; S884-D888 PolarHBondContact O-N 2.93Å
885A97.1Very high94.9Very high1 Ų139.7 Ų39.71%0.00825%0.253CS..Hα-helixtrans-65.4-41.617800000112.1S881 V882 D888 A889 A1081 K1082 L1103S881-A885 PolarHBondContact O-N 3.48Å; V882-A885 PolarHBondContact O-N 3.19Å; A885-D888 PolarHBondContact O-N 3.01Å; A885-A889 WeakPolarHBondContact O-CB 3.3Å; A885-A889 PolarHBondContact O-N 3.11Å; A885-A1081 HydrophobicContact CB-CB 3.84Å; A885-K1082 HydrophobicContact CB-CG 4.3Å; A885-L1103 HydrophobicContact CB-CD2 4Å
886V96.6Very high95.3Very high3 Ų339.1 Ų39.12%0.01825%0.25CC..Hα-helixtrans-65.9-41.5175.91730000111.1Y847 I877 V882 E883 A889 L890 L1045 P1046Y847-V886 HydrophobicContact CD1-CG1 3.81Å; Y847-V886 HydrophobicContact CE1-CG1 4.06Å; Y847-V886 HydrophobicContact CG-CG1 4.45Å; I877-V886 HydrophobicContact CD1-CG2 4.42Å; V882-V886 HydrophobicContact CG1-CG2 4.43Å; V882-V886 WeakPolarHBondContact O-CG2 3.39Å; V882-V886 PolarHBondContact O-N 2.88Å; E883-V886 PolarHBondContact O-N 3.35Å; V886-A889 PolarHBondContact O-N 3.31Å; V886-L890 HydrophobicContact CG1-CD1 4.11Å; V886-L890 HydrophobicContact CG1-CG 4.5Å; V886-L890 VanDerWaalsContact O-CG 3.32Å; V886-L890 WeakPolarHBondContact O-CG 3.48Å; V886-L890 PolarHBondContact O-N 2.91Å; V886-L1045 HydrophobicContact CG2-CB 4.11Å; V886-L1045 HydrophobicContact CG2-CD1 3.92Å; V886-P1046 HydrophobicContact CG1-CB 4.29Å; V886-P1046 HydrophobicContact CG1-CG 4.05Å
887A95.7Very high95.6Very high35 Ų3540.1 Ų40.129%0.28925%0.252SS..Hα-helixtrans-63.1-43.1176.600000112.1E883 S884 A889 L890 A891E883-A887 WeakPolarHBondContact O-CB 3.46Å; E883-A887 PolarHBondContact O-N 3.47Å; S884-A887 PolarHBondContact O-N 3.26Å; A887-A889 VanDerWaalsContact C-N 3.34Å; A887-L890 PolarHBondContact O-N 2.83Å; A887-A891 PolarHBondContact O-N 2.84Å
888D96.3Very high95.7Very high74 Ų7442.7 Ų42.740%0.39626%0.262SS..Hα-helixtrans-63.2-40.9175.8-70.6-12.7000111.1S884 A885 A891 A892 K1082S884-D888 WeakPolarHBondContact O-CB 3.32Å; S884-D888 PolarHBondContact O-N 2.93Å; A885-D888 PolarHBondContact O-N 3.01Å; D888-A891 PolarHBondContact O-N 2.66Å; D888-A892 WeakPolarHBondContact O-CB 3.42Å; D888-A892 PolarHBondContact O-N 2.86Å; D888-K1082 WeakPolarHBondContact OD2-CD 3.12Å; D888-K1082 WeakPolarHBondContact OD2-CE 3.41Å; D888-K1082 IonicContact OD2-NZ 2.95Å; D888-K1082 PolarHBondContact OD2-NZ 3.01Å
889A96.3Very high95.8Very high14 Ų1448.9 Ų48.912%0.11628%0.282CS..Hα-helixtrans-66.9-40.6177.700000113A885 V886 A887 A891 A892 A893 P1046 Y1049A885-A889 WeakPolarHBondContact O-CB 3.3Å; A885-A889 PolarHBondContact O-N 3.11Å; V886-A889 PolarHBondContact O-N 3.31Å; A887-A889 VanDerWaalsContact C-N 3.34Å; A889-A891 VanDerWaalsContact C-N 3.34Å; A889-A892 PolarHBondContact O-N 2.85Å; A889-A893 WeakPolarHBondContact O-CB 3.29Å; A889-A893 PolarHBondContact O-N 3.29Å; A889-P1046 HydrophobicContact CB-CB 4.48Å; A889-P1046 WeakPolarHBondContact CB-O 3.43Å; A889-Y1049 HydrophobicContact CB-CE2 3.97Å
890L96.8Very high95.6Very high2 Ų251.7 Ų51.71%0.0130%0.297CS..Hα-helixtrans-59.8-45.4172.7-75168.3000111.4Y847 V850 L865 V886 A887 A893 G894 V895 I897 P1046Y847-L890 HydrophobicContact CD1-CD1 4.13Å; Y847-L890 HydrophobicContact CE1-CD1 3.96Å; V850-L890 HydrophobicContact CG1-CD2 3.59Å; L865-L890 HydrophobicContact CD2-CD1 3.94Å; V886-L890 HydrophobicContact CG1-CD1 4.11Å; V886-L890 HydrophobicContact CG1-CG 4.5Å; V886-L890 VanDerWaalsContact O-CG 3.32Å; V886-L890 WeakPolarHBondContact O-CG 3.48Å; V886-L890 PolarHBondContact O-N 2.91Å; A887-L890 PolarHBondContact O-N 2.83Å; L890-A893 PolarHBondContact O-N 3Å; L890-G894 PolarHBondContact O-N 3.28Å; L890-V895 HydrophobicContact CB-CB 4.34Å; L890-V895 HydrophobicContact CD2-CB 4.03Å; L890-V895 HydrophobicContact CD2-CG1 4.03Å; L890-V895 HydrophobicContact CD2-CG2 4.06Å; L890-V895 WeakPolarHBondContact O-CB 3.4Å; L890-V895 PolarHBondContact O-N 3.43Å; L890-I897 HydrophobicContact CB-CD1 4.07Å; L890-I897 HydrophobicContact CD1-CD1 3.79Å; L890-P1046 HydrophobicContact CD1-CG 4.43Å; L890-P1046 HydrophobicContact CD2-CB 3.63Å; L890-P1046 HydrophobicContact CD2-CG 3.57Å; L890-P1046 HydrophobicContact CG-CB 3.73Å; L890-P1046 HydrophobicContact CG-CG 3.9Å
891A96.1Very high95.6Very high69 Ų6943.5 Ų43.557%0.5727%0.265SS*.Hα-helixtrans-63.5-42.4176.900000111.9A887 D888 A889 A893 G894A887-A891 PolarHBondContact O-N 2.84Å; D888-A891 PolarHBondContact O-N 2.66Å; A889-A891 VanDerWaalsContact C-N 3.34Å; A891-A893 VanDerWaalsContact C-N 3.32Å; A891-A893 PolarHBondContact O-N 2.95Å; A891-G894 PolarHBondContact O-N 2.83Å
892A95.6Very high95.5Very high90 Ų9042.4 Ų42.474%0.74425%0.254SS*.Hα-helixtrans-64.1-34.7177.100000112.8D888 A889 G894D888-A892 WeakPolarHBondContact O-CB 3.42Å; D888-A892 PolarHBondContact O-N 2.86Å; A889-A892 PolarHBondContact O-N 2.85Å; A892-G894 PolarHBondContact O-N 3.05Å
893A95.3Very high95.3Very high41 Ų4142.5 Ų42.534%0.33926%0.255SS..THydrogen-bonded Turntrans-73.9-10.3173.500000113.3L854 G860 A889 L890 A891 V895L854-A893 HydrophobicContact CD1-CB 3.87Å; L854-A893 HydrophobicContact CD2-CB 4.31Å; G860-A893 VanDerWaalsContact CA-O 3.27Å; G860-A893 WeakPolarHBondContact CA-O 3.29Å; A889-A893 WeakPolarHBondContact O-CB 3.29Å; A889-A893 PolarHBondContact O-N 3.29Å; L890-A893 PolarHBondContact O-N 3Å; A891-A893 VanDerWaalsContact C-N 3.32Å; A891-A893 PolarHBondContact O-N 2.95Å; A893-V895 HydrophobicContact CB-CG2 4.15Å
894G96.1Very high95.1Very high33 Ų3340 Ų4034%0.3424%0.243SC..THydrogen-bonded Turntrans82.514.1-177.200000114.5G860 S861 L890 A891 A892G860-G894 CarbonylContact C-O 3.42Å; G860-G894 CarbonylContact O-C 3.48Å; G860-G894 VanDerWaalsContact O-O 3.1Å; S861-G894 VanDerWaalsContact CA-O 3.32Å; S861-G894 WeakPolarHBondContact CA-O 3.46Å; S861-G894 PolarHBondContact N-O 3.04Å; L890-G894 PolarHBondContact O-N 3.28Å; A891-G894 PolarHBondContact O-N 2.83Å; A892-G894 PolarHBondContact O-N 3.05Å
895V97.1Very high94.9Very high9 Ų940.1 Ų40.16%0.05524%0.241CC..  trans-70.9127.8178.2-178.80000109.8V850 L854 G860 V863 L865 L890 A893V850-V895 HydrophobicContact CG1-CG1 4.45Å; V850-V895 HydrophobicContact CG1-CG2 4.17Å; L854-V895 HydrophobicContact CD1-CG2 4.36Å; L854-V895 HydrophobicContact CD2-CG2 4.3Å; G860-V895 WeakPolarHBondContact O-CA 3.48Å; V863-V895 HydrophobicContact CB-CG1 4.26Å; V863-V895 HydrophobicContact CB-CG2 4.27Å; V863-V895 HydrophobicContact CG1-CG1 4.1Å; V863-V895 WeakPolarHBondContact O-CG1 3.49Å; L865-V895 HydrophobicContact CB-CG1 4.11Å; L890-V895 HydrophobicContact CB-CB 4.34Å; L890-V895 HydrophobicContact CD2-CB 4.03Å; L890-V895 HydrophobicContact CD2-CG1 4.03Å; L890-V895 HydrophobicContact CD2-CG2 4.06Å; L890-V895 WeakPolarHBondContact O-CB 3.4Å; L890-V895 PolarHBondContact O-N 3.43Å; A893-V895 HydrophobicContact CB-CG2 4.15Å
896T96.4Very high94.8Very high55 Ų5540.5 Ų40.534%0.33724%0.242SC..EExtended strand (participates in β ladder)trans-89.9126.3178.7-54.20000110.3V863 L865 Y898V863-T896 PolarHBondContact O-N 3.04Å; L865-T896 PolarHBondContact N-O 2.86Å; T896-Y898 HydrophobicContact CG2-CD2 4.29Å; T896-Y898 HydrophobicContact CG2-CE1 4.39Å; T896-Y898 HydrophobicContact CG2-CE2 3.5Å; T896-Y898 VanDerWaalsContact CG2-CE2 3.5Å; T896-Y898 WeakPolarHBondContact CG2-OH 3.29Å
897I96.1Very high94.6Very high57 Ų5740.9 Ų40.929%0.29224%0.244SC..EExtended strand (participates in β ladder)trans-107.3127-177.4-50.9176.3000110.3L865 Q867 L890 R899L865-I897 HydrophobicContact CB-CG1 4.4Å; L865-I897 HydrophobicContact CD2-CG1 4.28Å; L865-I897 HydrophobicContact CD2-CG2 4.42Å; L865-I897 HydrophobicContact CG-CG2 4.42Å; L865-I897 CarbonylContact O-C 3.55Å; L865-I897 WeakPolarHBondContact O-CA 3.31Å; Q867-I897 HydrophobicContact CG-CG2 4.48Å; L890-I897 HydrophobicContact CB-CD1 4.07Å; L890-I897 HydrophobicContact CD1-CD1 3.79Å; I897-R899 HydrophobicContact CG2-CG 4.4Å
898Y95.1Very high94.1Very high60 Ų6042 Ų4224%0.23525%0.245CC..EExtended strand (participates in β ladder)trans-113.6126.5173.7-59.5-91.3000109.3H864 L865 V866 Q867 T896 F927 L929H864-Y898 HydrophobicContact CB-CE2 4.22Å; H864-Y898 AromaticContact ND1-CE2 3.83Å; L865-Y898 PolarHBondContact O-N 2.94Å; V866-Y898 HydrophobicContact CG2-CD2 4Å; V866-Y898 HydrophobicContact CG2-CG 4.48Å; Q867-Y898 PolarHBondContact N-O 3.28Å; T896-Y898 HydrophobicContact CG2-CD2 4.29Å; T896-Y898 HydrophobicContact CG2-CE1 4.39Å; T896-Y898 HydrophobicContact CG2-CE2 3.5Å; T896-Y898 VanDerWaalsContact CG2-CE2 3.5Å; T896-Y898 WeakPolarHBondContact CG2-OH 3.29Å; Y898-F927 HydrophobicContact CD1-CD1 4.26Å; Y898-F927 HydrophobicContact CD1-CD2 4.09Å; Y898-F927 AromaticContact CD1-CE1 3.77Å; Y898-F927 HydrophobicContact CD1-CE1 3.77Å; Y898-F927 AromaticContact CD1-CE2 3.6Å; Y898-F927 HydrophobicContact CD1-CE2 3.6Å; Y898-F927 HydrophobicContact CD1-CG 4.41Å; Y898-F927 AromaticContact CD1-CZ 3.43Å; Y898-F927 HydrophobicContact CD1-CZ 3.43Å; Y898-F927 VanDerWaalsContact CD1-CZ 3.43Å; Y898-F927 HydrophobicContact CD2-CE2 4.3Å; Y898-F927 HydrophobicContact CD2-CZ 4.36Å; Y898-F927 HydrophobicContact CE1-CD2 4.03Å; Y898-F927 AromaticContact CE1-CE2 3.89Å; Y898-F927 HydrophobicContact CE1-CE2 3.89Å; Y898-F927 HydrophobicContact CE1-CG 4.45Å; Y898-F927 HydrophobicContact CE1-CZ 4.18Å; Y898-F927 HydrophobicContact CG-CE1 4.23Å; Y898-F927 AromaticContact CG-CE2 3.83Å; Y898-F927 HydrophobicContact CG-CE2 3.83Å; Y898-F927 AromaticContact CG-CZ 3.54Å; Y898-F927 HydrophobicContact CG-CZ 3.54Å; Y898-L929 HydrophobicContact CD2-CD1 4.13Å; Y898-L929 HydrophobicContact CE1-CD2 4.47Å; Y898-L929 HydrophobicContact CE2-CD1 3.81Å; Y898-L929 HydrophobicContact CE2-CD2 3.98Å; Y898-L929 WeakPolarHBondContact OH-CD2 3.42Å
899R93.3Very high93.4Very high171 Ų17141 Ų4165%0.64525%0.253SS*.  trans-106.6155.8-177.9-64.4-174.9-179.5172.61.4111.9I897 A901I897-R899 HydrophobicContact CG2-CG 4.4Å; R899-A901 PolarHBondContact O-N 2.9Å; R899-A901 VanDerWaalsContact O-N 3.14Å
900D92.1Very high92.9Very high68 Ų6846.5 Ų46.536%0.36428%0.279SS..SBendtrans51.735.3178.1-56.7-52.9000112.8N791 Q867 P923N791-D900 PolarHBondContact ND2-O 3.18Å; Q867-D900 PolarHBondContact O-N 3.32Å; Q867-D900 VanDerWaalsContact O-N 3.1Å; D900-P923 HydrophobicContact CB-CG 3.82Å
901A93.1Very high92.4Very high0 Ų052.7 Ų52.70%031%0.308CS..  trans-99.5121.4-17300000110.9Y840 V866 Q867 P868 R899 F920 T921 T922 F927Y840-A901 WeakPolarHBondContact CE2-O 3.42Å; Y840-A901 PolarHBondContact OH-O 2.77Å; V866-A901 HydrophobicContact CG1-CB 3.46Å; V866-A901 VanDerWaalsContact CG1-CB 3.46Å; Q867-A901 PolarHBondContact O-N 2.76Å; P868-A901 WeakPolarHBondContact CA-O 3.19Å; R899-A901 PolarHBondContact O-N 2.9Å; R899-A901 VanDerWaalsContact O-N 3.14Å; A901-F920 HydrophobicContact CB-CB 4.23Å; A901-F920 HydrophobicContact CB-CD1 4.35Å; A901-T921 CarbonylContact C-O 3.59Å; A901-T921 WeakPolarHBondContact CA-O 3.17Å; A901-T922 HydrophobicContact CB-CG2 4.37Å; A901-F927 HydrophobicContact CB-CE1 4.04Å; A901-F927 HydrophobicContact CB-CZ 4.01Å
902I92.3Very high91.8Very high32 Ų3250.9 Ų50.916%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-101.1131.7177.7-56.1176.1000108.7T781 N791 P869 A904 F920 T921T781-I902 HydrophobicContact CG2-CG2 3.64Å; N791-I902 HydrophobicContact CB-CD1 3.98Å; P869-I902 HydrophobicContact CG-CD1 3.98Å; P869-I902 HydrophobicContact CG-CG1 3.66Å; I902-A904 PolarHBondContact O-N 3.02Å; I902-A904 VanDerWaalsContact O-N 3.13Å; I902-F920 CarbonylContact O-C 3.6Å; I902-F920 VanDerWaalsContact O-CA 3.23Å; I902-F920 WeakPolarHBondContact O-CA 3.21Å; I902-T921 PolarHBondContact N-O 2.99Å; I902-T921 PolarHBondContact O-N 3.47Å
903L93.1Very high91.6Very high2 Ų247.7 Ų47.71%0.0126%0.261CS..EExtended strand (participates in β ladder)trans-63.1113.8177.5179.564.7000110.6P778 P780 T781 Y840 W906 A918 F920 F934P778-L903 HydrophobicContact CB-CD2 4.05Å; P778-L903 HydrophobicContact CG-CD2 3.83Å; P780-L903 HydrophobicContact CB-CD2 4.39Å; P780-L903 HydrophobicContact CB-CG 4.24Å; P780-L903 HydrophobicContact CG-CD2 4Å; P780-L903 HydrophobicContact CG-CG 4.36Å; T781-L903 PolarHBondContact N-O 3.49Å; Y840-L903 HydrophobicContact CE1-CB 4.39Å; Y840-L903 PolarHBondContact OH-N 3.27Å; L903-W906 HydrophobicContact CD2-CZ2 4.01Å; L903-A918 HydrophobicContact CD1-CB 4.19Å; L903-F920 HydrophobicContact CB-CD1 4.29Å; L903-F920 HydrophobicContact CB-CE1 4.12Å; L903-F920 HydrophobicContact CD1-CD1 4.28Å; L903-F920 HydrophobicContact CD1-CE1 3.77Å; L903-F920 HydrophobicContact CD1-CZ 4.06Å; L903-F934 HydrophobicContact CD1-CE2 4.42Å; L903-F934 HydrophobicContact CD1-CZ 4.47Å; L903-F934 HydrophobicContact CD2-CZ 4.34Å
904A91.6Very high91.4Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-86.4-61.2-177.800000111.3P780 T781 G782 A783 I785 I902 S919 T921P780-A904 CarbonylContact C-O 3.57Å; P780-A904 VanDerWaalsContact CB-O 3.25Å; P780-A904 WeakPolarHBondContact CB-O 3.44Å; T781-A904 PolarHBondContact N-O 3.41Å; T781-A904 VanDerWaalsContact N-O 3.16Å; T781-A904 WeakPolarHBondContact OG1-CA 3.31Å; G782-A904 PolarHBondContact N-O 3.33Å; A783-A904 HydrophobicContact CB-CB 4.22Å; I785-A904 HydrophobicContact CG2-CB 4.16Å; I902-A904 PolarHBondContact O-N 3.02Å; I902-A904 VanDerWaalsContact O-N 3.13Å; A904-S919 WeakPolarHBondContact CA-O 3.44Å; A904-S919 VanDerWaalsContact CB-O 3.26Å; A904-S919 WeakPolarHBondContact CB-O 3.49Å; A904-S919 PolarHBondContact N-O 3.47Å; A904-T921 HydrophobicContact CB-CG2 3.98Å
905Q91.7Very high91.3Very high26 Ų2646.1 Ų46.112%0.12124%0.241CC..EExtended strand (participates in β ladder)trans-151.3150.9-176.6-69.9178.4-15.300110.9G782 A783 D908 S919G782-Q905 PolarHBondContact O-NE2 2.92Å; A783-Q905 WeakPolarHBondContact O-CG 3.45Å; Q905-D908 PolarHBondContact OE1-O 2.83Å; Q905-S919 PolarHBondContact N-O 3.41Å; Q905-S919 PolarHBondContact O-N 3.48Å
906W93.9Very high91.1Very high9 Ų953.1 Ų53.13%0.03427%0.267CS..EExtended strand (participates in β ladder)trans-93.4142160.7-63.5-40.1000109.5V777 P778 P780 Y802 P807 H810 L903 D908 G909 P912 I915V777-W906 HydrophobicContact CG1-CH2 3.83Å; P778-W906 HydrophobicContact CG-CZ2 4.37Å; P780-W906 HydrophobicContact CG-CD2 4.02Å; P780-W906 HydrophobicContact CG-CE3 4.07Å; P780-W906 HydrophobicContact CG-CH2 4.47Å; P780-W906 HydrophobicContact CG-CZ2 4.41Å; P780-W906 HydrophobicContact CG-CZ3 4.31Å; Y802-W906 HydrophobicContact CD2-CH2 4.47Å; Y802-W906 HydrophobicContact CD2-CZ3 4.2Å; Y802-W906 HydrophobicContact CE1-CZ3 4.11Å; Y802-W906 HydrophobicContact CE2-CE3 4.35Å; Y802-W906 HydrophobicContact CE2-CH2 4.26Å; Y802-W906 AromaticContact CE2-CZ3 3.57Å; Y802-W906 HydrophobicContact CE2-CZ3 3.57Å; Y802-W906 AromaticContact CZ-CZ3 3.52Å; P807-W906 HydrophobicContact CG-CE3 3.91Å; P807-W906 HydrophobicContact CG-CH2 4.33Å; P807-W906 HydrophobicContact CG-CZ3 3.76Å; H810-W906 AromaticContact CD2-CZ2 3.88Å; L903-W906 HydrophobicContact CD2-CZ2 4.01Å; W906-D908 PolarHBondContact O-N 2.86Å; W906-G909 PolarHBondContact O-N 3.14Å; W906-P912 HydrophobicContact CB-CB 4.08Å; W906-P912 HydrophobicContact CD2-CB 4.46Å; W906-P912 HydrophobicContact CE3-CB 3.67Å; W906-I915 HydrophobicContact CD2-CD1 4.14Å; W906-I915 HydrophobicContact CD2-CG1 4.38Å; W906-I915 HydrophobicContact CG-CD1 4.29Å; W906-I915 HydrophobicContact CG-CG1 4.26Å; W906-I915 HydrophobicContact CG-CG2 4.38Å; W906-I915 HydrophobicContact CZ2-CD1 4.38Å
907N92.6Very high91Very high12 Ų1250.6 Ų50.66%0.06425%0.252CS..G310 helixtrans48.536.7177.3-60.7-17.3000113.5G909 L910 H911 P914 Y916 S917N907-G909 PolarHBondContact O-N 3.42Å; N907-L910 HydrophobicContact CB-CB 4.27Å; N907-L910 WeakPolarHBondContact O-CB 3.36Å; N907-L910 VanDerWaalsContact O-CG 3.28Å; N907-L910 WeakPolarHBondContact O-CG 3.14Å; N907-L910 PolarHBondContact O-N 3.08Å; N907-H911 PolarHBondContact ND2-O 2.96Å; N907-P914 PolarHBondContact ND2-O 3.09Å; N907-Y916 WeakPolarHBondContact OD1-CA 3.46Å; N907-Y916 PolarHBondContact OD1-N 2.81Å; N907-S917 PolarHBondContact N-O 3.4Å; N907-S917 PolarHBondContact OD1-N 3.08Å; N907-S917 PolarHBondContact OD1-O 2.94Å
908D85.4Confident91Very high59 Ų5947.9 Ų47.932%0.31624%0.238SC..G310 helixtrans54.837.3-178.6-52.5-42.4000113.6Q905 W906 L910 S919 R928Q905-D908 PolarHBondContact OE1-O 2.83Å; W906-D908 PolarHBondContact O-N 2.86Å; D908-L910 VanDerWaalsContact C-N 3.29Å; D908-L910 PolarHBondContact O-N 3.06Å; D908-S919 PolarHBondContact OD1-OG 2.86Å; D908-R928 IonicContact OD1-NE 2.69Å; D908-R928 IonicContact OD2-CZ 3.21Å; D908-R928 IonicContact OD2-NE 3.69Å; D908-R928 PolarHBondContact OD2-NE 2.96Å; D908-R928 IonicContact OD2-NH1 3.32Å; D908-R928 PolarHBondContact OD2-NH1 2.88Å; D908-R928 VanDerWaalsContact OD2-NH1 3.17Å; D908-R928 IonicContact OD2-NH2 3.17Å; D908-R928 PolarHBondContact OD2-NH2 3.41Å
909G82Confident91Very high53 Ų5345 Ų4555%0.54623%0.227SC..G310 helixtrans832.5179.200000114.1W906 N907W906-G909 PolarHBondContact O-N 3.14Å; N907-G909 PolarHBondContact O-N 3.42Å
910L84.9Confident91.1Very high128 Ų12836.9 Ų36.967%0.6720%0.196SC*.SBendtrans-80.8-173173.6-56.5174.6000111.7N907 D908 P912N907-L910 HydrophobicContact CB-CB 4.27Å; N907-L910 WeakPolarHBondContact O-CB 3.36Å; N907-L910 VanDerWaalsContact O-CG 3.28Å; N907-L910 WeakPolarHBondContact O-CG 3.14Å; N907-L910 PolarHBondContact O-N 3.08Å; D908-L910 VanDerWaalsContact C-N 3.29Å; D908-L910 PolarHBondContact O-N 3.06Å; L910-P912 WeakPolarHBondContact O-CD 3.32Å; L910-P912 VanDerWaalsContact O-N 3.17Å
911H86.1Confident91.1Very high132 Ų13233.7 Ų33.761%0.61118%0.179SC*.  trans-55.1119.8179.3-173.2-92.2000110.9N907 D913N907-H911 PolarHBondContact ND2-O 2.96Å; H911-D913 VanDerWaalsContact C-N 3.35Å; H911-D913 PolarHBondContact CE1-O 2.96Å; H911-D913 PolarHBondContact ND1-N 2.91Å; H911-D913 PolarHBondContact ND1-O 3.27Å; H911-D913 PolarHBondContact O-N 3.33Å
912P84.9Confident91.1Very high31 Ų3134.2 Ų34.220%0.20118%0.182CC..  trans-82.4-8-168.231.8-36.7000114.4P807 W906 L910 P914 I915P807-P912 WeakPolarHBondContact CB-O 3.39Å; P807-P912 HydrophobicContact CG-CB 4.09Å; P807-P912 WeakPolarHBondContact CG-O 3.26Å; W906-P912 HydrophobicContact CB-CB 4.08Å; W906-P912 HydrophobicContact CD2-CB 4.46Å; W906-P912 HydrophobicContact CE3-CB 3.67Å; L910-P912 WeakPolarHBondContact O-CD 3.32Å; L910-P912 VanDerWaalsContact O-N 3.17Å; P912-P914 CarbonylContact O-C 3.48Å; P912-I915 WeakPolarHBondContact O-CG1 3.24Å; P912-I915 PolarHBondContact O-N 3.4Å; P912-I915 VanDerWaalsContact O-N 3.14Å
913D89.9Confident91Very high24 Ų2436.2 Ų36.213%0.12820%0.197CC..SBendtrans-113.4112.6-173.7-177.929.4000111.9K805 P807 C808 H911K805-D913 WeakPolarHBondContact CE-OD2 3.13Å; K805-D913 IonicContact NZ-OD2 2.76Å; K805-D913 PolarHBondContact NZ-OD2 2.81Å; P807-D913 HydrophobicContact CB-CB 4.42Å; C808-D913 WeakPolarHBondContact CB-OD1 3.31Å; C808-D913 PolarHBondContact N-OD1 2.68Å; C808-D913 PolarHBondContact SG-OD1 3.37Å; H911-D913 VanDerWaalsContact C-N 3.35Å; H911-D913 PolarHBondContact CE1-O 2.96Å; H911-D913 PolarHBondContact ND1-N 2.91Å; H911-D913 PolarHBondContact ND1-O 3.27Å; H911-D913 PolarHBondContact O-N 3.33Å
914P91.6Very high90.8Very high39 Ų3942 Ų4225%0.25323%0.233SC..SBendcis-77.8164.5-6.133.7-35000112.9N907 P912 Y916N907-P914 PolarHBondContact ND2-O 3.09Å; P912-P914 CarbonylContact O-C 3.48Å; P914-Y916 HydrophobicContact CG-CE1 3.81Å; P914-Y916 HydrophobicContact CG-CE2 3.94Å; P914-Y916 VanDerWaalsContact CG-CZ 3.44Å; P914-Y916 WeakPolarHBondContact CG-OH 3.23Å; P914-Y916 WeakPolarHBondContact O-CD2 3.24Å; P914-Y916 PolarHBondContact O-N 3.4Å
915I93.9Very high90.7Very high1 Ų148.4 Ų48.41%0.00526%0.261CS..  trans-76.2116.6174.2-53.4170.2000108.5P807 N809 H810 W906 P912 C931 F934P807-I915 HydrophobicContact CB-CD1 3.85Å; P807-I915 HydrophobicContact CB-CG1 3.54Å; P807-I915 HydrophobicContact CG-CD1 3.89Å; P807-I915 HydrophobicContact CG-CG1 3.71Å; N809-I915 PolarHBondContact ND2-O 3.03Å; N809-I915 PolarHBondContact OD1-N 3.48Å; H810-I915 HydrophobicContact CB-CD1 4.07Å; W906-I915 HydrophobicContact CD2-CD1 4.14Å; W906-I915 HydrophobicContact CD2-CG1 4.38Å; W906-I915 HydrophobicContact CG-CD1 4.29Å; W906-I915 HydrophobicContact CG-CG1 4.26Å; W906-I915 HydrophobicContact CG-CG2 4.38Å; W906-I915 HydrophobicContact CZ2-CD1 4.38Å; P912-I915 WeakPolarHBondContact O-CG1 3.24Å; P912-I915 PolarHBondContact O-N 3.4Å; P912-I915 VanDerWaalsContact O-N 3.14Å; I915-C931 HydrophobicContact CG2-CB 3.96Å; I915-F934 HydrophobicContact CD1-CB 3.84Å; I915-F934 HydrophobicContact CD1-CG 4.24Å
916Y93.2Very high90.7Very high156 Ų15647.8 Ų47.861%0.61226%0.259SS*.SBendtrans-100.3-28.1173.7-59.7-71000112.6N907 P914 C931N907-Y916 WeakPolarHBondContact OD1-CA 3.46Å; N907-Y916 PolarHBondContact OD1-N 2.81Å; P914-Y916 HydrophobicContact CG-CE1 3.81Å; P914-Y916 HydrophobicContact CG-CE2 3.94Å; P914-Y916 VanDerWaalsContact CG-CZ 3.44Å; P914-Y916 WeakPolarHBondContact CG-OH 3.23Å; P914-Y916 WeakPolarHBondContact O-CD2 3.24Å; P914-Y916 PolarHBondContact O-N 3.4Å; Y916-C931 CarbonylContact C-O 3.56Å; Y916-C931 VanDerWaalsContact CA-O 3.31Å; Y916-C931 WeakPolarHBondContact CA-O 3.28Å; Y916-C931 PolarHBondContact O-N 3.18Å
917S94.6Very high90.8Very high3 Ų349.2 Ų49.22%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-152.6146.4173.859.20000111.6N907 R928 L929N907-S917 PolarHBondContact N-O 3.4Å; N907-S917 PolarHBondContact OD1-N 3.08Å; N907-S917 PolarHBondContact OD1-O 2.94Å; S917-R928 PolarHBondContact OG-NE 3.29Å; S917-R928 VanDerWaalsContact OG-NE 3.08Å; S917-R928 PolarHBondContact OG-NH2 2.64Å; S917-L929 CarbonylContact C-O 3.37Å; S917-L929 WeakPolarHBondContact CA-O 3.36Å; S917-L929 WeakPolarHBondContact CB-O 3.17Å
918A95.7Very high90.8Very high0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-118133.5172.200000109.8I838 L903 F920 L929 F934I838-A918 HydrophobicContact CD1-CB 3.72Å; L903-A918 HydrophobicContact CD1-CB 4.19Å; A918-F920 HydrophobicContact CB-CE2 3.67Å; A918-F920 HydrophobicContact CB-CZ 3.87Å; A918-L929 PolarHBondContact N-O 2.75Å; A918-L929 PolarHBondContact O-N 3.32Å; A918-F934 HydrophobicContact CB-CD2 4.32Å; A918-F934 HydrophobicContact CB-CE2 4.02Å
919S94.9Very high91.3Very high0 Ų052.8 Ų52.80%027%0.274CS..EExtended strand (participates in β ladder)trans-108.9137.4-178.4-670000108.9I785 A904 Q905 D908 F927I785-S919 WeakPolarHBondContact CD1-OG 2.83Å; A904-S919 WeakPolarHBondContact CA-O 3.44Å; A904-S919 VanDerWaalsContact CB-O 3.26Å; A904-S919 WeakPolarHBondContact CB-O 3.49Å; A904-S919 PolarHBondContact N-O 3.47Å; Q905-S919 PolarHBondContact N-O 3.41Å; Q905-S919 PolarHBondContact O-N 3.48Å; D908-S919 PolarHBondContact OD1-OG 2.86Å; S919-F927 WeakPolarHBondContact CA-O 3.5Å
920F94.8Very high92Very high0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-129.9142.4-174.2-60.9-91.2000110.9I838 Y840 V866 A901 I902 L903 A918 P926 F927 L929 F934I838-F920 HydrophobicContact CD1-CE2 4.34Å; I838-F920 HydrophobicContact CG2-CZ 4.14Å; Y840-F920 HydrophobicContact CD2-CE1 4.01Å; Y840-F920 HydrophobicContact CE2-CD1 4.49Å; Y840-F920 HydrophobicContact CE2-CE1 4.06Å; V866-F920 HydrophobicContact CB-CE1 4.35Å; V866-F920 HydrophobicContact CB-CZ 4.33Å; V866-F920 HydrophobicContact CG1-CD1 3.77Å; V866-F920 HydrophobicContact CG1-CE1 3.63Å; V866-F920 HydrophobicContact CG1-CE2 4.48Å; V866-F920 HydrophobicContact CG1-CG 4.28Å; V866-F920 HydrophobicContact CG1-CZ 4Å; V866-F920 HydrophobicContact CG2-CE2 4.27Å; V866-F920 HydrophobicContact CG2-CZ 4.12Å; A901-F920 HydrophobicContact CB-CB 4.23Å; A901-F920 HydrophobicContact CB-CD1 4.35Å; I902-F920 CarbonylContact O-C 3.6Å; I902-F920 VanDerWaalsContact O-CA 3.23Å; I902-F920 WeakPolarHBondContact O-CA 3.21Å; L903-F920 HydrophobicContact CB-CD1 4.29Å; L903-F920 HydrophobicContact CB-CE1 4.12Å; L903-F920 HydrophobicContact CD1-CD1 4.28Å; L903-F920 HydrophobicContact CD1-CE1 3.77Å; L903-F920 HydrophobicContact CD1-CZ 4.06Å; A918-F920 HydrophobicContact CB-CE2 3.67Å; A918-F920 HydrophobicContact CB-CZ 3.87Å; F920-P926 CarbonylContact O-C 3.58Å; F920-P926 WeakPolarHBondContact O-CA 3.34Å; F920-P926 VanDerWaalsContact O-CB 3.25Å; F920-P926 WeakPolarHBondContact O-CB 3.33Å; F920-F927 HydrophobicContact CB-CD1 4.33Å; F920-F927 HydrophobicContact CB-CE1 3.79Å; F920-F927 HydrophobicContact CB-CE2 4.02Å; F920-F927 HydrophobicContact CB-CZ 3.61Å; F920-F927 HydrophobicContact CD2-CD2 4.26Å; F920-F927 AromaticContact CD2-CE2 3.53Å; F920-F927 HydrophobicContact CD2-CE2 3.53Å; F920-F927 AromaticContact CD2-CZ 3.83Å; F920-F927 HydrophobicContact CD2-CZ 3.83Å; F920-F927 HydrophobicContact CE2-CE2 4.33Å; F920-F927 HydrophobicContact CG-CE2 4.05Å; F920-F927 AromaticContact CG-CZ 3.86Å; F920-F927 HydrophobicContact CG-CZ 3.86Å; F920-F927 PolarHBondContact N-O 2.9Å; F920-F927 PolarHBondContact O-N 3.33Å; F920-L929 HydrophobicContact CE2-CD1 4.14Å; F920-F934 HydrophobicContact CZ-CE2 4.07Å
921T93.3Very high92.4Very high0 Ų047.6 Ų47.60%024%0.238CC..EExtended strand (participates in β ladder)trans-93151.5165.561.20000110.1A783 N791 V794 A901 I902 A904 P926A783-T921 HydrophobicContact CB-CG2 4.13Å; N791-T921 WeakPolarHBondContact OD1-CB 3.28Å; N791-T921 PolarHBondContact OD1-O 2.94Å; N791-T921 PolarHBondContact OD1-OG1 2.82Å; V794-T921 HydrophobicContact CG2-CG2 3.91Å; A901-T921 CarbonylContact C-O 3.59Å; A901-T921 WeakPolarHBondContact CA-O 3.17Å; I902-T921 PolarHBondContact N-O 2.99Å; I902-T921 PolarHBondContact O-N 3.47Å; A904-T921 HydrophobicContact CB-CG2 3.98Å; T921-P926 HydrophobicContact CG2-CB 4.43Å
922T92.2Very high92.8Very high12 Ų1243.3 Ų43.37%0.07422%0.223CC..  trans-132.6175.3174.172.10000109.5T790 N791 A901 T924 K925 F927T790-T922 WeakPolarHBondContact CA-O 3.4Å; N791-T922 VanDerWaalsContact CG-C 3.42Å; N791-T922 PolarHBondContact N-O 3.3Å; N791-T922 WeakPolarHBondContact OD1-CA 3.32Å; N791-T922 PolarHBondContact OD1-N 3.28Å; A901-T922 HydrophobicContact CB-CG2 4.37Å; T922-T924 PolarHBondContact O-N 3.1Å; T922-T924 PolarHBondContact OG1-N 3.26Å; T922-T924 PolarHBondContact OG1-OG1 3.21Å; T922-K925 VanDerWaalsContact OG1-C 3.3Å; T922-K925 PolarHBondContact OG1-N 3.45Å; T922-K925 PolarHBondContact OG1-O 3.27Å; T922-F927 HydrophobicContact CG2-CD1 3.68Å; T922-F927 HydrophobicContact CG2-CE1 3.44Å; T922-F927 VanDerWaalsContact CG2-CE1 3.44Å
923P90.5Very high93.3Very high73 Ų7341.8 Ų41.847%0.47421%0.214SC..SBendtrans-63.5-18.9173.1-23.335.8000113.8N791 D900N791-P923 WeakPolarHBondContact ND2-CD 3.44Å; D900-P923 HydrophobicContact CB-CG 3.82Å
924T88.6Confident93.6Very high123 Ų12340.7 Ų40.776%0.75521%0.207SC*.SBendtrans-114.4-60.7-173.855.10000112.8T922T922-T924 PolarHBondContact O-N 3.1Å; T922-T924 PolarHBondContact OG1-N 3.26Å; T922-T924 PolarHBondContact OG1-OG1 3.21Å
925K90Very high93.8Very high136 Ų13638.8 Ų38.859%0.59120%0.195SC*.  trans-147.2134.2-176.9-170.7-176.9175.71800111.4T922T922-K925 VanDerWaalsContact OG1-C 3.3Å; T922-K925 PolarHBondContact OG1-N 3.45Å; T922-K925 PolarHBondContact OG1-O 3.27Å
926P92.5Very high93.8Very high12 Ų1238.8 Ų38.88%0.07820%0.195CC..  trans-69155.5173.328.5-33.8000112I785 F920 T921I785-P926 HydrophobicContact CB-CB 3.95Å; I785-P926 HydrophobicContact CB-CG 4.26Å; I785-P926 HydrophobicContact CG2-CB 3.73Å; F920-P926 CarbonylContact O-C 3.58Å; F920-P926 WeakPolarHBondContact O-CA 3.34Å; F920-P926 VanDerWaalsContact O-CB 3.25Å; F920-P926 WeakPolarHBondContact O-CB 3.33Å; T921-P926 HydrophobicContact CG2-CB 4.43Å
927F94.5Very high93.8Very high39 Ų3931.4 Ų31.417%0.17117%0.166CC..EExtended strand (participates in β ladder)trans-142.4163.7178.366.7-90.7000111.4Y898 A901 S919 F920 T922 L929Y898-F927 HydrophobicContact CD1-CD1 4.26Å; Y898-F927 HydrophobicContact CD1-CD2 4.09Å; Y898-F927 AromaticContact CD1-CE1 3.77Å; Y898-F927 HydrophobicContact CD1-CE1 3.77Å; Y898-F927 AromaticContact CD1-CE2 3.6Å; Y898-F927 HydrophobicContact CD1-CE2 3.6Å; Y898-F927 HydrophobicContact CD1-CG 4.41Å; Y898-F927 AromaticContact CD1-CZ 3.43Å; Y898-F927 HydrophobicContact CD1-CZ 3.43Å; Y898-F927 VanDerWaalsContact CD1-CZ 3.43Å; Y898-F927 HydrophobicContact CD2-CE2 4.3Å; Y898-F927 HydrophobicContact CD2-CZ 4.36Å; Y898-F927 HydrophobicContact CE1-CD2 4.03Å; Y898-F927 AromaticContact CE1-CE2 3.89Å; Y898-F927 HydrophobicContact CE1-CE2 3.89Å; Y898-F927 HydrophobicContact CE1-CG 4.45Å; Y898-F927 HydrophobicContact CE1-CZ 4.18Å; Y898-F927 HydrophobicContact CG-CE1 4.23Å; Y898-F927 AromaticContact CG-CE2 3.83Å; Y898-F927 HydrophobicContact CG-CE2 3.83Å; Y898-F927 AromaticContact CG-CZ 3.54Å; Y898-F927 HydrophobicContact CG-CZ 3.54Å; A901-F927 HydrophobicContact CB-CE1 4.04Å; A901-F927 HydrophobicContact CB-CZ 4.01Å; S919-F927 WeakPolarHBondContact CA-O 3.5Å; F920-F927 HydrophobicContact CB-CD1 4.33Å; F920-F927 HydrophobicContact CB-CE1 3.79Å; F920-F927 HydrophobicContact CB-CE2 4.02Å; F920-F927 HydrophobicContact CB-CZ 3.61Å; F920-F927 HydrophobicContact CD2-CD2 4.26Å; F920-F927 AromaticContact CD2-CE2 3.53Å; F920-F927 HydrophobicContact CD2-CE2 3.53Å; F920-F927 AromaticContact CD2-CZ 3.83Å; F920-F927 HydrophobicContact CD2-CZ 3.83Å; F920-F927 HydrophobicContact CE2-CE2 4.33Å; F920-F927 HydrophobicContact CG-CE2 4.05Å; F920-F927 AromaticContact CG-CZ 3.86Å; F920-F927 HydrophobicContact CG-CZ 3.86Å; F920-F927 PolarHBondContact N-O 2.9Å; F920-F927 PolarHBondContact O-N 3.33Å; T922-F927 HydrophobicContact CG2-CD1 3.68Å; T922-F927 HydrophobicContact CG2-CE1 3.44Å; T922-F927 VanDerWaalsContact CG2-CE1 3.44Å; F927-L929 HydrophobicContact CD2-CD1 4.33Å; F927-L929 HydrophobicContact CD2-CD2 4.08Å; F927-L929 HydrophobicContact CD2-CG 3.84Å; F927-L929 HydrophobicContact CE2-CD1 3.68Å; F927-L929 HydrophobicContact CE2-CD2 4.21Å; F927-L929 HydrophobicContact CE2-CG 3.7Å
928R94.4Very high93.3Very high139 Ų13933.2 Ų33.253%0.52518%0.179SC..EExtended strand (participates in β ladder)trans-125.8136.3-179.7179.4178.3175.8-163.43.1109.9I785 D908 S917I785-R928 HydrophobicContact CD1-CB 3.96Å; D908-R928 IonicContact OD1-NE 2.69Å; D908-R928 IonicContact OD2-CZ 3.21Å; D908-R928 IonicContact OD2-NE 3.69Å; D908-R928 PolarHBondContact OD2-NE 2.96Å; D908-R928 IonicContact OD2-NH1 3.32Å; D908-R928 PolarHBondContact OD2-NH1 2.88Å; D908-R928 VanDerWaalsContact OD2-NH1 3.17Å; D908-R928 IonicContact OD2-NH2 3.17Å; D908-R928 PolarHBondContact OD2-NH2 3.41Å; S917-R928 PolarHBondContact OG-NE 3.29Å; S917-R928 VanDerWaalsContact OG-NE 3.08Å; S917-R928 PolarHBondContact OG-NH2 2.64Å
929L95.8Very high92.7Very high8 Ų837.9 Ų37.94%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-121137.2176.6-62.5178.9000111.4I838 H864 V866 Y898 S917 A918 F920 F927I838-L929 HydrophobicContact CD1-CB 3.83Å; I838-L929 HydrophobicContact CD1-CD1 4.25Å; I838-L929 HydrophobicContact CG1-CD1 4.49Å; H864-L929 HydrophobicContact CB-CD1 3.73Å; V866-L929 HydrophobicContact CG2-CD1 3.91Å; Y898-L929 HydrophobicContact CD2-CD1 4.13Å; Y898-L929 HydrophobicContact CE1-CD2 4.47Å; Y898-L929 HydrophobicContact CE2-CD1 3.81Å; Y898-L929 HydrophobicContact CE2-CD2 3.98Å; Y898-L929 WeakPolarHBondContact OH-CD2 3.42Å; S917-L929 CarbonylContact C-O 3.37Å; S917-L929 WeakPolarHBondContact CA-O 3.36Å; S917-L929 WeakPolarHBondContact CB-O 3.17Å; A918-L929 PolarHBondContact N-O 2.75Å; A918-L929 PolarHBondContact O-N 3.32Å; F920-L929 HydrophobicContact CE2-CD1 4.14Å; F927-L929 HydrophobicContact CD2-CD1 4.33Å; F927-L929 HydrophobicContact CD2-CD2 4.08Å; F927-L929 HydrophobicContact CD2-CG 3.84Å; F927-L929 HydrophobicContact CE2-CD1 3.68Å; F927-L929 HydrophobicContact CE2-CD2 4.21Å; F927-L929 HydrophobicContact CE2-CG 3.7Å
930P94.9Very high92.4Very high66 Ų6642.1 Ų42.143%0.42922%0.219SC..EExtended strand (participates in β ladder)trans-65.5145.8165.430.2-33.4000109.9N836N836-P930 HydrophobicContact CB-CB 4.46Å; N836-P930 HydrophobicContact CB-CG 4.28Å; N836-P930 VanDerWaalsContact CB-O 3.32Å; N836-P930 WeakPolarHBondContact CB-O 3.34Å
931C94.4Very high92.2Very high5 Ų545.3 Ų45.33%0.03424%0.236CC..  trans-142.3133.7-176.7-172.30000109.8I838 I915 Y916 M933I838-C931 HydrophobicContact CD1-CB 3.69Å; I838-C931 HydrophobicContact CG1-CB 4.21Å; I915-C931 HydrophobicContact CG2-CB 3.96Å; Y916-C931 CarbonylContact C-O 3.56Å; Y916-C931 VanDerWaalsContact CA-O 3.31Å; Y916-C931 WeakPolarHBondContact CA-O 3.28Å; Y916-C931 PolarHBondContact O-N 3.18Å; C931-M933 PolarHBondContact SG-O 3.27Å
932S94.1Very high92.1Very high42 Ų4245.6 Ų45.629%0.29424%0.238SC..SBendtrans-114.8-23.9169.4-50.80000110.5N809 G835 N836N809-S932 WeakPolarHBondContact CB-O 3.42Å; N809-S932 PolarHBondContact ND2-O 2.89Å; G835-S932 WeakPolarHBondContact CA-OG 3.29Å; N836-S932 PolarHBondContact N-OG 2.85Å; N836-S932 VanDerWaalsContact N-OG 3.16Å; N836-S932 WeakPolarHBondContact O-CB 3.49Å; N836-S932 PolarHBondContact O-N 2.79Å
933M94.8Very high92Very high0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-149.4136176.8-166.6175-171.800110.2F811 A822 I826 N836 V837 I838 C931 F935F811-M933 HydrophobicContact CD1-CE 4.33Å; F811-M933 HydrophobicContact CD2-CE 3.36Å; F811-M933 HydrophobicContact CD2-CG 3.79Å; F811-M933 HydrophobicContact CD2-SD 4.45Å; F811-M933 HydrophobicContact CE1-CE 4.31Å; F811-M933 HydrophobicContact CE2-CE 3.34Å; F811-M933 HydrophobicContact CE2-CG 3.8Å; F811-M933 HydrophobicContact CE2-SD 4.31Å; F811-M933 HydrophobicContact CG-CE 3.9Å; F811-M933 HydrophobicContact CZ-CE 3.85Å; A822-M933 HydrophobicContact CB-CE 3.96Å; I826-M933 HydrophobicContact CD1-CE 4.05Å; I826-M933 HydrophobicContact CD1-SD 4.09Å; I826-M933 HydrophobicContact CG1-CE 3.78Å; I826-M933 HydrophobicContact CG1-SD 3.54Å; I826-M933 VanDerWaalsContact CG1-SD 3.54Å; N836-M933 PolarHBondContact O-N 2.95Å; V837-M933 WeakPolarHBondContact CA-O 3.41Å; V837-M933 HydrophobicContact CG1-CB 4.31Å; V837-M933 HydrophobicContact CG2-CB 4.31Å; I838-M933 PolarHBondContact N-O 3.45Å; C931-M933 PolarHBondContact SG-O 3.27Å; M933-F935 HydrophobicContact CE-CE1 3.76Å; M933-F935 HydrophobicContact CE-CE2 3.67Å; M933-F935 HydrophobicContact CE-CZ 3.12Å; M933-F935 HydrophobicContact CG-CD2 4.4Å; M933-F935 HydrophobicContact CG-CE2 3.86Å; M933-F935 HydrophobicContact CG-CZ 4.3Å; M933-F935 HydrophobicContact SD-CE2 3.55Å; M933-F935 VanDerWaalsContact SD-CE2 3.55Å; M933-F935 HydrophobicContact SD-CZ 3.65Å
934F96.2Very high92Very high0 Ų047.1 Ų47.10%024%0.235CC..EExtended strand (participates in β ladder)trans-124.3116.6-177.8-166.7-76.3000110.4P778 N809 H810 F811 I838 Y840 L903 I915 A918 F920P778-F934 HydrophobicContact CG-CE1 4.18Å; N809-F934 PolarHBondContact O-N 2.9Å; H810-F934 CarbonylContact C-O 3.58Å; H810-F934 WeakPolarHBondContact CA-O 3.33Å; H810-F934 AromaticContact CD2-CD1 3.39Å; H810-F934 WeakPolarHBondContact CD2-CD1 3.49Å; H810-F934 AromaticContact NE2-CD1 3.64Å; H810-F934 AromaticContact NE2-CE1 3.91Å; F811-F934 PolarHBondContact N-O 3.38Å; I838-F934 HydrophobicContact CB-CD2 3.86Å; I838-F934 HydrophobicContact CB-CE2 4.22Å; I838-F934 HydrophobicContact CD1-CD2 4.3Å; I838-F934 HydrophobicContact CG2-CD2 3.86Å; I838-F934 HydrophobicContact CG2-CE2 3.69Å; I838-F934 HydrophobicContact CG2-CZ 4.4Å; I838-F934 CarbonylContact O-C 3.44Å; I838-F934 WeakPolarHBondContact O-CA 3.22Å; Y840-F934 HydrophobicContact CD1-CE1 4.38Å; Y840-F934 HydrophobicContact CD1-CZ 4.18Å; Y840-F934 HydrophobicContact CG-CE1 4.38Å; Y840-F934 AromaticContact CG-CZ 3.98Å; Y840-F934 HydrophobicContact CG-CZ 3.98Å; L903-F934 HydrophobicContact CD1-CE2 4.42Å; L903-F934 HydrophobicContact CD1-CZ 4.47Å; L903-F934 HydrophobicContact CD2-CZ 4.34Å; I915-F934 HydrophobicContact CD1-CB 3.84Å; I915-F934 HydrophobicContact CD1-CG 4.24Å; A918-F934 HydrophobicContact CB-CD2 4.32Å; A918-F934 HydrophobicContact CB-CE2 4.02Å; F920-F934 HydrophobicContact CZ-CE2 4.07Å
935F96.5Very high92.1Very high0 Ų044.4 Ų44.40%021%0.214CC..EExtended strand (participates in β ladder)trans-100136.9172.3-67.9-87.1000110.4F716 F811 L813 A822 I826 V837 I838 V839 Y840 T849 L853 M933 F937F716-F935 HydrophobicContact CE1-CE1 4.34Å; F716-F935 HydrophobicContact CE1-CZ 4.2Å; F811-F935 HydrophobicContact CB-CD1 3.73Å; F811-F935 HydrophobicContact CB-CE1 3.91Å; F811-F935 HydrophobicContact CG-CE1 4.35Å; F811-F935 WeakPolarHBondContact O-CA 3.32Å; L813-F935 HydrophobicContact CD1-CD1 4Å; L813-F935 HydrophobicContact CD1-CE1 3.86Å; L813-F935 HydrophobicContact CD2-CD1 4.46Å; L813-F935 HydrophobicContact CD2-CE1 4.26Å; L813-F935 HydrophobicContact CG-CD1 4.1Å; L813-F935 HydrophobicContact CG-CE1 4.22Å; A822-F935 HydrophobicContact CB-CE1 4.02Å; A822-F935 HydrophobicContact CB-CZ 4.43Å; I826-F935 HydrophobicContact CD1-CZ 4.44Å; V837-F935 HydrophobicContact CG1-CD2 3.74Å; V837-F935 HydrophobicContact CG1-CE2 3.71Å; I838-F935 PolarHBondContact O-N 2.91Å; V839-F935 HydrophobicContact CG1-CB 4.18Å; V839-F935 HydrophobicContact CG2-CB 4.48Å; V839-F935 HydrophobicContact CG2-CD2 4.24Å; Y840-F935 PolarHBondContact N-O 2.74Å; T849-F935 HydrophobicContact CG2-CD1 4.18Å; T849-F935 HydrophobicContact CG2-CD2 4.32Å; T849-F935 HydrophobicContact CG2-CE1 4.38Å; T849-F935 HydrophobicContact CG2-CG 4.12Å; L853-F935 HydrophobicContact CD1-CD2 4.31Å; L853-F935 HydrophobicContact CD1-CE2 3.96Å; L853-F935 HydrophobicContact CD2-CE2 3.91Å; L853-F935 HydrophobicContact CD2-CZ 4.18Å; L853-F935 HydrophobicContact CG-CE2 4.44Å; M933-F935 HydrophobicContact CE-CE1 3.76Å; M933-F935 HydrophobicContact CE-CE2 3.67Å; M933-F935 HydrophobicContact CE-CZ 3.12Å; M933-F935 HydrophobicContact CG-CD2 4.4Å; M933-F935 HydrophobicContact CG-CE2 3.86Å; M933-F935 HydrophobicContact CG-CZ 4.3Å; M933-F935 HydrophobicContact SD-CE2 3.55Å; M933-F935 VanDerWaalsContact SD-CE2 3.55Å; M933-F935 HydrophobicContact SD-CZ 3.65Å; F935-F937 HydrophobicContact CB-CD2 4.44Å; F935-F937 HydrophobicContact CB-CE2 3.84Å; F935-F937 HydrophobicContact CB-CZ 4.48Å
936S94.4Very high92.3Very high1 Ų138.4 Ų38.41%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-120.9124.8176.8-162.80000113.4P778 F811P778-S936 WeakPolarHBondContact CD-OG 3.33Å; F811-S936 PolarHBondContact O-N 2.73Å
937F93.1Very high92.3Very high0 Ų040.9 Ų40.90%020%0.198CC..EExtended strand (participates in β ladder)trans-133.431179-59.2-65.4000111.6L717 Y775 L813 V839 Y840 T843 D845 T846 T849 F935L717-F937 HydrophobicContact CD2-CE1 4.32Å; Y775-F937 HydrophobicContact CD1-CB 4.33Å; Y775-F937 HydrophobicContact CD1-CD1 4.3Å; Y775-F937 AromaticContact CD2-CD1 3.82Å; Y775-F937 HydrophobicContact CD2-CD1 3.82Å; Y775-F937 HydrophobicContact CD2-CE1 4.29Å; Y775-F937 VanDerWaalsContact CE1-CA 3.48Å; Y775-F937 HydrophobicContact CE1-CB 3.85Å; Y775-F937 HydrophobicContact CE1-CD1 4Å; Y775-F937 HydrophobicContact CE1-CG 4.45Å; Y775-F937 AromaticContact CE2-CD1 3.49Å; Y775-F937 HydrophobicContact CE2-CD1 3.49Å; Y775-F937 VanDerWaalsContact CE2-CD1 3.49Å; Y775-F937 HydrophobicContact CE2-CE1 4.03Å; Y775-F937 HydrophobicContact CG-CD1 4.2Å; Y775-F937 AromaticContact CZ-CD1 3.57Å; L813-F937 HydrophobicContact CB-CE1 4.04Å; L813-F937 HydrophobicContact CB-CZ 4.26Å; L813-F937 HydrophobicContact CD1-CZ 4.04Å; L813-F937 HydrophobicContact CG-CE1 4.39Å; L813-F937 HydrophobicContact CG-CZ 4.14Å; V839-F937 HydrophobicContact CG1-CD2 3.8Å; V839-F937 HydrophobicContact CG1-CE2 3.87Å; Y840-F937 PolarHBondContact O-N 3.31Å; T843-F937 WeakPolarHBondContact CG2-O 3.32Å; D845-F937 HydrophobicContact CB-CD1 4.01Å; D845-F937 HydrophobicContact CB-CE1 4.07Å; T846-F937 VanDerWaalsContact OG1-CB 3.31Å; T846-F937 WeakPolarHBondContact OG1-CB 3.34Å; T849-F937 HydrophobicContact CG2-CE2 3.83Å; T849-F937 HydrophobicContact CG2-CZ 4.16Å; T849-F937 WeakPolarHBondContact OG1-CE2 3.37Å; T849-F937 WeakPolarHBondContact OG1-CZ 3.44Å; F935-F937 HydrophobicContact CB-CD2 4.44Å; F935-F937 HydrophobicContact CB-CE2 3.84Å; F935-F937 HydrophobicContact CB-CZ 4.48Å
938C83.8Confident92.3Very high42 Ų4243.6 Ų43.628%0.28421%0.21SC..SBendtrans-73-53-171.6-172.50000112.8Y840Y840-C938 HydrophobicContact CD1-CB 4.12Å; Y840-C938 HydrophobicContact CE1-CB 3.95Å
939E82.4Confident92.3Very high98 Ų9837 Ų3746%0.45819%0.185SC..  trans-148.4140.2-178.6-170.9173.1179.500110.5Y775 Q776Y775-E939 WeakPolarHBondContact CA-O 3.45Å; Q776-E939 PolarHBondContact N-O 3.04Å
940K89.5Confident92.3Very high88 Ų8836.7 Ų36.738%0.38318%0.184SC..EExtended strand (participates in β ladder)trans-94.8128169.5-66.3-171.6-178.6-179.10109.2Q773 Q774 Y775 D845Q773-K940 HydrophobicContact CB-CB 3.95Å; Q773-K940 PolarHBondContact NE2-O 3.34Å; Q774-K940 CarbonylContact O-C 3.38Å; Q774-K940 VanDerWaalsContact O-CA 3.3Å; Q774-K940 WeakPolarHBondContact O-CA 3.46Å; Y775-K940 HydrophobicContact CD1-CG 3.67Å; Y775-K940 HydrophobicContact CD2-CG 4.41Å; Y775-K940 HydrophobicContact CE1-CD 4.33Å; Y775-K940 HydrophobicContact CE1-CG 3.69Å; Y775-K940 HydrophobicContact CE2-CD 4.4Å; Y775-K940 HydrophobicContact CE2-CG 4.43Å; Y775-K940 HydrophobicContact CG-CG 4.07Å; Y775-K940 VanDerWaalsContact OH-CE 3.31Å; Y775-K940 WeakPolarHBondContact OH-CE 3.4Å; D845-K940 IonicContact OD2-NZ 3.52Å; D845-K940 PolarHBondContact OD2-NZ 3.02Å
941N90.6Very high92.3Very high68 Ų6837.5 Ų37.536%0.36418%0.184SC..EExtended strand (participates in β ladder)trans-132.9167.1174.5-150.5-23.4000110.4Q773 Q774 Q776 D943Q773-N941 CarbonylContact C-O 3.54Å; Q773-N941 WeakPolarHBondContact CA-O 3.44Å; Q774-N941 PolarHBondContact N-O 3.48Å; Q774-N941 PolarHBondContact O-N 3.42Å; Q774-N941 VanDerWaalsContact O-O 3.12Å; Q776-N941 HydrophobicContact CG-CB 3.81Å; Q776-N941 PolarHBondContact NE2-O 3.44Å; N941-D943 PolarHBondContact O-N 3.1Å
942V91.3Very high92.3Very high6 Ų642.1 Ų42.14%0.03621%0.209CC..  trans-63.1134170.4-179.10000107.8Q773 Y944 T946 F947 Y957 L980Q773-V942 HydrophobicContact CG-CG2 4.38Å; V942-Y944 PolarHBondContact O-N 2.98Å; V942-T946 HydrophobicContact CG1-CG2 3.89Å; V942-F947 HydrophobicContact CG1-CB 4.26Å; V942-Y957 WeakPolarHBondContact CG2-OH 3.42Å; V942-L980 HydrophobicContact CG2-CB 4.27Å
943D90.3Very high92.3Very high22 Ų2241 Ų4112%0.11820%0.2CC..  trans-51.8139.2173.9164.465.1000110.3N941 E945 T946 F947N941-D943 PolarHBondContact O-N 3.1Å; D943-E945 PolarHBondContact O-N 3.19Å; D943-E945 WeakPolarHBondContact OD2-CB 3.47Å; D943-E945 PolarHBondContact OD2-N 3.1Å; D943-E945 VanDerWaalsContact OD2-N 3.12Å; D943-T946 WeakPolarHBondContact O-CB 2.98Å; D943-T946 PolarHBondContact O-N 3.14Å; D943-T946 PolarHBondContact OD2-N 3.49Å; D943-T946 PolarHBondContact OD2-OG1 3.41Å; D943-T946 VanDerWaalsContact OD2-OG1 3.13Å; D943-F947 PolarHBondContact O-N 2.97Å
944Y90Very high92.2Very high94 Ų9445.3 Ų45.337%0.36923%0.229SC..Hα-helixtrans-66-38.6-172.2175-90.5000112.8R801 V942 T946 F947 K948R801-Y944 VanDerWaalsContact CZ-CB 3.41Å; R801-Y944 VanDerWaalsContact NH1-CZ 3.35Å; V942-Y944 PolarHBondContact O-N 2.98Å; Y944-T946 VanDerWaalsContact C-N 3.29Å; Y944-F947 HydrophobicContact CD2-CD1 4.3Å; Y944-F947 HydrophobicContact CE2-CD1 4.41Å; Y944-F947 PolarHBondContact O-N 3.31Å; Y944-K948 HydrophobicContact CE1-CB 4.24Å; Y944-K948 HydrophobicContact CE1-CD 4.15Å; Y944-K948 VanDerWaalsContact O-CB 3.25Å; Y944-K948 WeakPolarHBondContact O-CB 3.24Å; Y944-K948 PolarHBondContact O-N 3.42Å
945E91.1Very high92.2Very high67 Ų6745.6 Ų45.631%0.31323%0.231SC..Hα-helixtrans-67.6-38.7-179.9-66.8179.3156.100110R743 D943 K948 A949R743-E945 WeakPolarHBondContact CD-OE2 3.43Å; R743-E945 IonicContact CZ-OE2 3.3Å; R743-E945 IonicContact NE-OE2 3.9Å; R743-E945 IonicContact NH1-OE2 3.4Å; R743-E945 PolarHBondContact NH1-OE2 3.44Å; D943-E945 PolarHBondContact O-N 3.19Å; D943-E945 WeakPolarHBondContact OD2-CB 3.47Å; D943-E945 PolarHBondContact OD2-N 3.1Å; D943-E945 VanDerWaalsContact OD2-N 3.12Å; E945-K948 PolarHBondContact O-N 3.02Å; E945-A949 WeakPolarHBondContact O-CB 3.49Å; E945-A949 PolarHBondContact O-N 3.41Å
946T93.1Very high92.2Very high9 Ų949.1 Ų49.16%0.05525%0.252CS..Hα-helixtrans-58.9-54.3169-57.30000111.3M744 T771 V942 D943 Y944 K948 A949 L950M744-T946 HydrophobicContact CE-CG2 3.93Å; T771-T946 HydrophobicContact CG2-CG2 4.17Å; V942-T946 HydrophobicContact CG1-CG2 3.89Å; D943-T946 WeakPolarHBondContact O-CB 2.98Å; D943-T946 PolarHBondContact O-N 3.14Å; D943-T946 PolarHBondContact OD2-N 3.49Å; D943-T946 PolarHBondContact OD2-OG1 3.41Å; D943-T946 VanDerWaalsContact OD2-OG1 3.13Å; Y944-T946 VanDerWaalsContact C-N 3.29Å; T946-K948 VanDerWaalsContact C-N 3.3Å; T946-K948 PolarHBondContact O-N 3.21Å; T946-A949 WeakPolarHBondContact O-CB 3.39Å; T946-A949 PolarHBondContact O-N 2.82Å; T946-L950 HydrophobicContact CG2-CD1 4.19Å; T946-L950 HydrophobicContact CG2-CG 4.49Å; T946-L950 VanDerWaalsContact O-CG 3.28Å; T946-L950 WeakPolarHBondContact O-CG 3.43Å; T946-L950 PolarHBondContact O-N 3.04Å
947F93.6Very high92.2Very high64 Ų6451.5 Ų51.528%0.28126%0.261SS..Hα-helixtrans-54.8-46.6178.3162.5-102.5000111.8V942 D943 Y944 L950 N951 Y957V942-F947 HydrophobicContact CG1-CB 4.26Å; D943-F947 PolarHBondContact O-N 2.97Å; Y944-F947 HydrophobicContact CD2-CD1 4.3Å; Y944-F947 HydrophobicContact CE2-CD1 4.41Å; Y944-F947 PolarHBondContact O-N 3.31Å; F947-L950 PolarHBondContact O-N 3.36Å; F947-N951 HydrophobicContact CE2-CB 4.34Å; F947-N951 HydrophobicContact CZ-CB 4.29Å; F947-N951 WeakPolarHBondContact O-CB 3.43Å; F947-N951 PolarHBondContact O-N 2.85Å; F947-Y957 AromaticContact CD2-CD1 3.93Å; F947-Y957 HydrophobicContact CD2-CD1 3.93Å; F947-Y957 HydrophobicContact CD2-CD2 4.11Å; F947-Y957 AromaticContact CD2-CE1 3.63Å; F947-Y957 HydrophobicContact CD2-CE1 3.63Å; F947-Y957 AromaticContact CD2-CE2 3.83Å; F947-Y957 HydrophobicContact CD2-CE2 3.83Å; F947-Y957 HydrophobicContact CD2-CG 4.16Å; F947-Y957 AromaticContact CD2-CZ 3.58Å; F947-Y957 AromaticContact CE2-CD1 3.6Å; F947-Y957 HydrophobicContact CE2-CD1 3.6Å; F947-Y957 HydrophobicContact CE2-CD2 4.46Å; F947-Y957 AromaticContact CE2-CE1 3.62Å; F947-Y957 HydrophobicContact CE2-CE1 3.62Å; F947-Y957 HydrophobicContact CE2-CE2 4.48Å; F947-Y957 HydrophobicContact CE2-CG 4.04Å
948K94.1Very high92Very high97 Ų9755.2 Ų55.242%0.42228%0.281SS..Hα-helixtrans-59.8-48178.2-177.4-175.8174-162.30110.8Y944 E945 T946 L950 N951 D952Y944-K948 HydrophobicContact CE1-CB 4.24Å; Y944-K948 HydrophobicContact CE1-CD 4.15Å; Y944-K948 VanDerWaalsContact O-CB 3.25Å; Y944-K948 WeakPolarHBondContact O-CB 3.24Å; Y944-K948 PolarHBondContact O-N 3.42Å; E945-K948 PolarHBondContact O-N 3.02Å; T946-K948 VanDerWaalsContact C-N 3.3Å; T946-K948 PolarHBondContact O-N 3.21Å; K948-L950 VanDerWaalsContact C-N 3.31Å; K948-L950 PolarHBondContact O-N 3.19Å; K948-N951 PolarHBondContact O-N 3.31Å; K948-D952 WeakPolarHBondContact CE-OD2 3.27Å; K948-D952 VanDerWaalsContact CG-OD2 3.31Å; K948-D952 WeakPolarHBondContact CG-OD2 3.34Å; K948-D952 VanDerWaalsContact O-CB 3.28Å; K948-D952 WeakPolarHBondContact O-CB 3.26Å; K948-D952 PolarHBondContact O-N 3.22Å
949A95Very high92.2Very high1 Ų155.8 Ų55.81%0.00829%0.294CS..Hα-helixtrans-58.5-41.5177.200000112.5M744 E945 T946 T953M744-A949 HydrophobicContact CE-CB 4.08Å; E945-A949 WeakPolarHBondContact O-CB 3.49Å; E945-A949 PolarHBondContact O-N 3.41Å; T946-A949 WeakPolarHBondContact O-CB 3.39Å; T946-A949 PolarHBondContact O-N 2.82Å; A949-T953 WeakPolarHBondContact O-CG2 3.5Å; A949-T953 PolarHBondContact O-N 3.48Å; A949-T953 PolarHBondContact O-OG1 2.8Å
950L95.4Very high92.7Very high1 Ų153.9 Ų53.91%0.00528%0.283CS..Hα-helixtrans-66.8-43.5176.8-60.9175000112I747 L769 T946 F947 K948 T953 C954 L955 Y957 L961I747-L950 HydrophobicContact CD1-CD2 4.14Å; L769-L950 HydrophobicContact CD1-CD2 3.52Å; T946-L950 HydrophobicContact CG2-CD1 4.19Å; T946-L950 HydrophobicContact CG2-CG 4.49Å; T946-L950 VanDerWaalsContact O-CG 3.28Å; T946-L950 WeakPolarHBondContact O-CG 3.43Å; T946-L950 PolarHBondContact O-N 3.04Å; F947-L950 PolarHBondContact O-N 3.36Å; K948-L950 VanDerWaalsContact C-N 3.31Å; K948-L950 PolarHBondContact O-N 3.19Å; L950-T953 PolarHBondContact O-N 2.97Å; L950-T953 PolarHBondContact O-OG1 3.38Å; L950-C954 PolarHBondContact O-N 2.92Å; L950-L955 HydrophobicContact CD2-CD1 3.65Å; L950-L955 PolarHBondContact O-N 2.98Å; L950-L955 VanDerWaalsContact O-N 3.09Å; L950-Y957 HydrophobicContact CD1-CD2 4.31Å; L950-Y957 HydrophobicContact CD1-CE2 4.34Å; L950-L961 HydrophobicContact CD1-CB 4.41Å; L950-L961 HydrophobicContact CD1-CD1 4.48Å; L950-L961 HydrophobicContact CD1-CD2 4.25Å; L950-L961 HydrophobicContact CD2-CD2 4.23Å
951N93.8Very high93Very high83 Ų8349.7 Ų49.744%0.44427%0.265SS..Hα-helixtrans-70.4-44.6-178.1-175.677.3000111.9F947 K948 T953 C954F947-N951 HydrophobicContact CE2-CB 4.34Å; F947-N951 HydrophobicContact CZ-CB 4.29Å; F947-N951 WeakPolarHBondContact O-CB 3.43Å; F947-N951 PolarHBondContact O-N 2.85Å; K948-N951 PolarHBondContact O-N 3.31Å; N951-T953 PolarHBondContact O-N 2.91Å; N951-C954 PolarHBondContact O-N 3.26Å
952D95Very high93.3Very high102 Ų10247.3 Ų47.355%0.54525%0.252SS..Hα-helixtrans-63.5-25.3179.4-68.5-4.9000111.5K948K948-D952 WeakPolarHBondContact CE-OD2 3.27Å; K948-D952 VanDerWaalsContact CG-OD2 3.31Å; K948-D952 WeakPolarHBondContact CG-OD2 3.34Å; K948-D952 VanDerWaalsContact O-CB 3.28Å; K948-D952 WeakPolarHBondContact O-CB 3.26Å; K948-D952 PolarHBondContact O-N 3.22Å
953T93.6Very high93.5Very high17 Ų1747.2 Ų47.210%0.10425%0.251CS..THydrogen-bonded Turntrans-89.75.7174.651.60000115.6I747 R749 A949 L950 N951 L955I747-T953 HydrophobicContact CB-CG2 3.59Å; I747-T953 HydrophobicContact CG2-CG2 4.14Å; I747-T953 WeakPolarHBondContact O-CG2 3.32Å; R749-T953 WeakPolarHBondContact CD-O 3.35Å; R749-T953 PolarHBondContact NH1-O 3.42Å; A949-T953 WeakPolarHBondContact O-CG2 3.5Å; A949-T953 PolarHBondContact O-N 3.48Å; A949-T953 PolarHBondContact O-OG1 2.8Å; L950-T953 PolarHBondContact O-N 2.97Å; L950-T953 PolarHBondContact O-OG1 3.38Å; N951-T953 PolarHBondContact O-N 2.91Å; T953-L955 PolarHBondContact O-N 3.48Å
954C94.6Very high93.6Very high92 Ų9247.8 Ų47.862%0.62226%0.255SS*.THydrogen-bonded Turntrans56.733.4-178.7-55.20000112.7L950 N951 N970L950-C954 PolarHBondContact O-N 2.92Å; N951-C954 PolarHBondContact O-N 3.26Å; C954-N970 PolarHBondContact O-ND2 3.45Å
955L96.1Very high93.5Very high5 Ų544.1 Ų44.13%0.02624%0.242CC..  trans-74.2135.8162.9-68.7176.5000108.8I747 L769 L950 T953 Y957 L961 N970 D971 I974I747-L955 HydrophobicContact CD1-CD1 4.46Å; L769-L955 HydrophobicContact CD1-CD1 4.23Å; L950-L955 HydrophobicContact CD2-CD1 3.65Å; L950-L955 PolarHBondContact O-N 2.98Å; L950-L955 VanDerWaalsContact O-N 3.09Å; T953-L955 PolarHBondContact O-N 3.48Å; L955-Y957 PolarHBondContact O-N 3.27Å; L955-Y957 VanDerWaalsContact O-N 3.1Å; L955-L961 HydrophobicContact CB-CD1 3.84Å; L955-L961 HydrophobicContact CD1-CD1 4.49Å; L955-N970 WeakPolarHBondContact CA-OD1 3.37Å; L955-N970 WeakPolarHBondContact CD2-OD1 3.37Å; L955-D971 HydrophobicContact CD2-CB 4.25Å; L955-I974 HydrophobicContact CD1-CD1 4.32Å; L955-I974 HydrophobicContact CD1-CG2 4.37Å; L955-I974 HydrophobicContact CD2-CD1 4.23Å
956V95.7Very high93.5Very high74 Ų7445.1 Ų45.145%0.44825%0.249SC..  trans-66.7115.2-173.3179.50000110V962 N970V956-V962 HydrophobicContact CB-CB 4.16Å; V956-V962 HydrophobicContact CG1-CB 3.88Å; V956-V962 HydrophobicContact CG1-CG1 4.43Å; V956-V962 HydrophobicContact CG1-CG2 3.82Å; V956-V962 WeakPolarHBondContact O-CB 3.34Å; V956-V962 PolarHBondContact O-N 3.37Å; V956-N970 HydrophobicContact CG2-CB 3.94Å; V956-N970 PolarHBondContact N-OD1 3.04Å
957Y93.7Very high93.6Very high52 Ų5245 Ų4520%0.20425%0.248CC..BIsolated β-bridgetrans-122.1120.9-178.7-163.7-81.9000110.6V942 F947 L950 L955 G959 R960 L961V942-Y957 WeakPolarHBondContact CG2-OH 3.42Å; F947-Y957 AromaticContact CD2-CD1 3.93Å; F947-Y957 HydrophobicContact CD2-CD1 3.93Å; F947-Y957 HydrophobicContact CD2-CD2 4.11Å; F947-Y957 AromaticContact CD2-CE1 3.63Å; F947-Y957 HydrophobicContact CD2-CE1 3.63Å; F947-Y957 AromaticContact CD2-CE2 3.83Å; F947-Y957 HydrophobicContact CD2-CE2 3.83Å; F947-Y957 HydrophobicContact CD2-CG 4.16Å; F947-Y957 AromaticContact CD2-CZ 3.58Å; F947-Y957 AromaticContact CE2-CD1 3.6Å; F947-Y957 HydrophobicContact CE2-CD1 3.6Å; F947-Y957 HydrophobicContact CE2-CD2 4.46Å; F947-Y957 AromaticContact CE2-CE1 3.62Å; F947-Y957 HydrophobicContact CE2-CE1 3.62Å; F947-Y957 HydrophobicContact CE2-CE2 4.48Å; F947-Y957 HydrophobicContact CE2-CG 4.04Å; L950-Y957 HydrophobicContact CD1-CD2 4.31Å; L950-Y957 HydrophobicContact CD1-CE2 4.34Å; L955-Y957 PolarHBondContact O-N 3.27Å; L955-Y957 VanDerWaalsContact O-N 3.1Å; Y957-G959 WeakPolarHBondContact CE1-O 3.29Å; Y957-G959 PolarHBondContact OH-O 3.49Å; Y957-R960 WeakPolarHBondContact CA-O 3.31Å; Y957-L961 HydrophobicContact CD2-CB 4.49Å
958D89.4Confident93.6Very high78 Ų7843.4 Ų43.442%0.41724%0.242SC..SBendtrans-133.977179.6179.815.4000109.1R960 V962 K982 N985D958-R960 PolarHBondContact N-O 3.24Å; D958-R960 PolarHBondContact O-N 2.91Å; D958-V962 HydrophobicContact CB-CG2 3.98Å; D958-K982 IonicContact OD2-NZ 3.89Å; D958-K982 PolarHBondContact OD2-NZ 3.42Å; D958-N985 PolarHBondContact OD2-ND2 3.27Å
959G87.4Confident93.7Very high54 Ų5439.5 Ų39.556%0.55723%0.226SC*.SBendtrans70-26.2-167.500000114.2Y957Y957-G959 WeakPolarHBondContact CE1-O 3.29Å; Y957-G959 PolarHBondContact OH-O 3.49Å
960R93.1Very high93.7Very high58 Ų5843 Ų4322%0.21925%0.245CC..SBendtrans-146.5165.1176.3-68.8-172.8-172.1-173.62109.6Y957 D958 V962 L980 T981 K982 T993 S995Y957-R960 WeakPolarHBondContact CA-O 3.31Å; D958-R960 PolarHBondContact N-O 3.24Å; D958-R960 PolarHBondContact O-N 2.91Å; R960-V962 PolarHBondContact O-N 3.15Å; R960-L980 WeakPolarHBondContact CB-O 3.34Å; R960-T981 WeakPolarHBondContact CD-O 3.41Å; R960-K982 HydrophobicContact CB-CB 3.74Å; R960-T993 PolarHBondContact NH1-OG1 3.43Å; R960-T993 VanDerWaalsContact NH1-OG1 3.16Å; R960-S995 PolarHBondContact NH1-OG 2.9Å
961L96.3Very high93.7Very high0 Ų044.3 Ų44.30%025%0.251CS..EExtended strand (participates in β ladder)trans-68.4125.1175.6-176.359.7000110.2L769 L950 L955 Y957 T969 A976 L980 T981 K982L769-L961 HydrophobicContact CD1-CD2 3.7Å; L950-L961 HydrophobicContact CD1-CB 4.41Å; L950-L961 HydrophobicContact CD1-CD1 4.48Å; L950-L961 HydrophobicContact CD1-CD2 4.25Å; L950-L961 HydrophobicContact CD2-CD2 4.23Å; L955-L961 HydrophobicContact CB-CD1 3.84Å; L955-L961 HydrophobicContact CD1-CD1 4.49Å; Y957-L961 HydrophobicContact CD2-CB 4.49Å; L961-T969 HydrophobicContact CD1-CG2 4.23Å; L961-T969 HydrophobicContact CD2-CG2 3.97Å; L961-T969 HydrophobicContact CG-CG2 4.16Å; L961-A976 HydrophobicContact CD2-CB 3.42Å; L961-A976 VanDerWaalsContact CD2-CB 3.42Å; L961-A976 HydrophobicContact CG-CB 4.31Å; L961-L980 HydrophobicContact CB-CD1 3.79Å; L961-L980 HydrophobicContact CD2-CD1 3.63Å; L961-L980 HydrophobicContact CG-CD1 4.37Å; L961-L980 PolarHBondContact N-O 2.53Å; L961-T981 CarbonylContact O-C 3.57Å; L961-T981 VanDerWaalsContact O-CA 3.27Å; L961-T981 WeakPolarHBondContact O-CA 3.41Å; L961-K982 PolarHBondContact O-N 3.36Å
962V96.4Very high93.5Very high17 Ų1746.8 Ų46.810%0.10326%0.263CS..EExtended strand (participates in β ladder)trans-84.2130.8-175.81790000110.6V956 D958 R960 K982V956-V962 HydrophobicContact CB-CB 4.16Å; V956-V962 HydrophobicContact CG1-CB 3.88Å; V956-V962 HydrophobicContact CG1-CG1 4.43Å; V956-V962 HydrophobicContact CG1-CG2 3.82Å; V956-V962 WeakPolarHBondContact O-CB 3.34Å; V956-V962 PolarHBondContact O-N 3.37Å; D958-V962 HydrophobicContact CB-CG2 3.98Å; R960-V962 PolarHBondContact O-N 3.15Å; V962-K982 CarbonylContact C-O 3.56Å; V962-K982 WeakPolarHBondContact CA-O 3.31Å
963I95.5Very high93.5Very high4 Ų442.5 Ų42.52%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-128.8161.2177.859.9166000113.1H968 T969 A976 T981 K982 F983 S984 H994I963-H968 CarbonylContact C-O 3.53Å; I963-H968 WeakPolarHBondContact CA-O 3.45Å; I963-H968 WeakPolarHBondContact CB-O 3.08Å; I963-T969 HydrophobicContact CG2-CG2 4.38Å; I963-A976 HydrophobicContact CG2-CB 3.93Å; I963-T981 HydrophobicContact CD1-CG2 4.23Å; I963-T981 HydrophobicContact CG2-CG2 4.07Å; I963-K982 WeakPolarHBondContact CG1-O 3.32Å; I963-K982 PolarHBondContact N-O 3.43Å; I963-F983 HydrophobicContact CD1-CD1 4.33Å; I963-F983 HydrophobicContact CD1-CE1 4.17Å; I963-F983 HydrophobicContact CG1-CD1 4.21Å; I963-F983 CarbonylContact O-C 3.54Å; I963-F983 WeakPolarHBondContact O-CA 3.38Å; I963-S984 PolarHBondContact O-N 3.47Å; I963-H994 WeakPolarHBondContact CD1-CE1 3.49Å
964D91.8Very high93.7Very high34 Ų3441.7 Ų41.718%0.18224%0.237CC..  trans-85.8-17716676.34.7000112.6N966 F967 H968D964-N966 PolarHBondContact O-N 3.17Å; D964-N966 VanDerWaalsContact OD1-CA 3.26Å; D964-N966 WeakPolarHBondContact OD1-CA 3.48Å; D964-N966 PolarHBondContact OD1-N 3.04Å; D964-F967 PolarHBondContact O-N 3.47Å; D964-F967 PolarHBondContact OD1-N 3.33Å; D964-H968 PolarHBondContact N-O 3.15Å; D964-H968 IonicContact OD1-CG 3.04Å; D964-H968 PolarHBondContact OD1-N 3.41Å; D964-H968 IonicContact OD1-ND1 3.16Å; D964-H968 PolarHBondContact OD1-ND1 2.8Å; D964-H968 IonicContact OD2-CG 3.88Å; D964-H968 IonicContact OD2-ND1 2.79Å; D964-H968 PolarHBondContact OD2-ND1 2.79Å
965T89.4Confident93.9Very high18 Ų1838 Ų3811%0.1121%0.21CC..THydrogen-bonded Turntrans-65.6-19.1176.541.20000113.9Y987 L1031 P1033T965-Y987 HydrophobicContact CG2-CD1 4.38Å; T965-Y987 HydrophobicContact CG2-CE1 3.53Å; T965-Y987 HydrophobicContact CG2-CE2 4.26Å; T965-Y987 VanDerWaalsContact CG2-CZ 3.43Å; T965-Y987 VanDerWaalsContact CG2-OH 3.23Å; T965-Y987 WeakPolarHBondContact CG2-OH 3.09Å; T965-Y987 PolarHBondContact N-OH 2.76Å; T965-Y987 PolarHBondContact OG1-OH 2.88Å; T965-Y987 VanDerWaalsContact OG1-OH 3.08Å; T965-L1031 WeakPolarHBondContact CG2-O 3.22Å; T965-P1033 HydrophobicContact CG2-CG 4.36Å
966N89.8Confident94Very high87 Ų8737.8 Ų37.847%0.46521%0.209SC..THydrogen-bonded Turntrans-105.220.9179.1-66.4-26.3000111.4D964 H968 R975D964-N966 PolarHBondContact O-N 3.17Å; D964-N966 VanDerWaalsContact OD1-CA 3.26Å; D964-N966 WeakPolarHBondContact OD1-CA 3.48Å; D964-N966 PolarHBondContact OD1-N 3.04Å; N966-H968 PolarHBondContact O-N 2.95Å; N966-R975 PolarHBondContact O-NH1 3.43Å
967F95Very high94.1Very high7 Ų734.3 Ų34.33%0.03119%0.188CC..SBendtrans66.75.6177.9-49.9-92000115.9D964 R975 A976 A977 H994 I1002 Q1005 L1006 A1009 Y1035D964-F967 PolarHBondContact O-N 3.47Å; D964-F967 PolarHBondContact OD1-N 3.33Å; F967-R975 HydrophobicContact CB-CB 4.38Å; F967-R975 CarbonylContact O-C 3.45Å; F967-R975 WeakPolarHBondContact O-CA 3.36Å; F967-R975 WeakPolarHBondContact O-CB 3.45Å; F967-A976 PolarHBondContact O-N 2.92Å; F967-A977 HydrophobicContact CD1-CB 3.95Å; F967-A977 HydrophobicContact CE1-CB 4.29Å; F967-H994 AromaticContact CD1-CE1 3.46Å; F967-H994 VanDerWaalsContact CD1-CE1 3.46Å; F967-H994 WeakPolarHBondContact CD1-CE1 3.19Å; F967-H994 AromaticContact CD1-NE2 3.95Å; F967-H994 AromaticContact CE1-CE1 3.37Å; F967-H994 WeakPolarHBondContact CE1-CE1 3.49Å; F967-H994 AromaticContact CE1-NE2 3.44Å; F967-H994 WeakPolarHBondContact CE1-NE2 3.5Å; F967-I1002 HydrophobicContact CE1-CG2 4.09Å; F967-Q1005 HydrophobicContact CE2-CB 4.47Å; F967-Q1005 HydrophobicContact CZ-CB 4.09Å; F967-L1006 HydrophobicContact CB-CD1 3.51Å; F967-L1006 HydrophobicContact CD1-CB 4.32Å; F967-L1006 HydrophobicContact CD1-CD1 4.02Å; F967-L1006 HydrophobicContact CD2-CB 4.39Å; F967-L1006 HydrophobicContact CD2-CD1 3.87Å; F967-L1006 HydrophobicContact CE1-CB 4.24Å; F967-L1006 HydrophobicContact CE2-CB 4.32Å; F967-L1006 HydrophobicContact CG-CB 4.4Å; F967-L1006 HydrophobicContact CG-CD1 3.54Å; F967-L1006 HydrophobicContact CZ-CB 4.25Å; F967-A1009 HydrophobicContact CD2-CB 4.4Å; F967-A1009 HydrophobicContact CE2-CB 4.47Å; F967-Y1035 WeakPolarHBondContact CZ-OH 3.34Å
968H94.8Very high94.2Very high30 Ų3032 Ų3214%0.13918%0.18CC..BIsolated β-bridgetrans-71.9143.9176.5-56.2105.2000110.6I963 D964 N966 R975I963-H968 CarbonylContact C-O 3.53Å; I963-H968 WeakPolarHBondContact CA-O 3.45Å; I963-H968 WeakPolarHBondContact CB-O 3.08Å; D964-H968 PolarHBondContact N-O 3.15Å; D964-H968 IonicContact OD1-CG 3.04Å; D964-H968 PolarHBondContact OD1-N 3.41Å; D964-H968 IonicContact OD1-ND1 3.16Å; D964-H968 PolarHBondContact OD1-ND1 2.8Å; D964-H968 IonicContact OD2-CG 3.88Å; D964-H968 IonicContact OD2-ND1 2.79Å; D964-H968 PolarHBondContact OD2-ND1 2.79Å; N966-H968 PolarHBondContact O-N 2.95Å; H968-R975 VanDerWaalsContact CD2-CZ 3.42Å; H968-R975 PolarHBondContact CD2-NH1 3.23Å; H968-R975 PolarHBondContact CD2-NH2 3.07Å; H968-R975 PolarHBondContact CE1-NH1 3.12Å; H968-R975 PolarHBondContact NE2-NH1 3.31Å; H968-R975 PolarHBondContact NE2-NH2 2.73Å
969T95.9Very high94.5Very high15 Ų1530 Ų309%0.09217%0.172CC..  trans-79.7-165160.167.20000109.8L961 I963 D971 I974 A976L961-T969 HydrophobicContact CD1-CG2 4.23Å; L961-T969 HydrophobicContact CD2-CG2 3.97Å; L961-T969 HydrophobicContact CG-CG2 4.16Å; I963-T969 HydrophobicContact CG2-CG2 4.38Å; T969-D971 PolarHBondContact O-N 3.41Å; T969-D971 PolarHBondContact OG1-N 2.55Å; T969-D971 VanDerWaalsContact OG1-N 3.11Å; T969-D971 PolarHBondContact OG1-O 3.13Å; T969-I974 HydrophobicContact CG2-CG2 4.11Å; T969-I974 WeakPolarHBondContact CG2-O 3.35Å; T969-I974 PolarHBondContact N-O 3Å; T969-I974 PolarHBondContact OG1-O 2.71Å; T969-A976 HydrophobicContact CG2-CB 4.22Å
970N94.4Very high94.9Very high76 Ų7627.4 Ų27.441%0.40615%0.146SC..SBendtrans-70.31.8167.460.8-63.7000113.9C954 L955 V956C954-N970 PolarHBondContact O-ND2 3.45Å; L955-N970 WeakPolarHBondContact CA-OD1 3.37Å; L955-N970 WeakPolarHBondContact CD2-OD1 3.37Å; V956-N970 HydrophobicContact CG2-CB 3.94Å; V956-N970 PolarHBondContact N-OD1 3.04Å
971D95.1Very high95Very high27 Ų2724.7 Ų24.714%0.14414%0.136CC..SBendtrans-119.1126.1171.3-162.4-50.6000109.9R749 L955 T969 A973 I974R749-D971 IonicContact CZ-OD2 3.23Å; R749-D971 IonicContact NE-OD2 2.74Å; R749-D971 PolarHBondContact NE-OD2 3.08Å; R749-D971 IonicContact NH2-OD2 3.05Å; R749-D971 PolarHBondContact NH2-OD2 3.07Å; L955-D971 HydrophobicContact CD2-CB 4.25Å; T969-D971 PolarHBondContact O-N 3.41Å; T969-D971 PolarHBondContact OG1-N 2.55Å; T969-D971 VanDerWaalsContact OG1-N 3.11Å; T969-D971 PolarHBondContact OG1-O 3.13Å; D971-A973 VanDerWaalsContact C-N 3.25Å; D971-A973 PolarHBondContact O-N 3.33Å; D971-A973 PolarHBondContact OD1-N 2.78Å; D971-I974 HydrophobicContact CB-CB 4.16Å; D971-I974 HydrophobicContact CB-CD1 4.1Å; D971-I974 HydrophobicContact CB-CG1 4.06Å; D971-I974 PolarHBondContact O-N 3.13Å; D971-I974 VanDerWaalsContact O-N 3.1Å
972I91.4Very high95Very high135 Ų13525.9 Ų25.969%0.69214%0.14SC*.THydrogen-bonded Turntrans-68.6-25.1-175.6-161.6166000112.8I974I972-I974 VanDerWaalsContact C-N 3.27Å
973A94.4Very high94.8Very high12 Ų1225.2 Ų25.210%0.09914%0.136CC..THydrogen-bonded Turntrans-79.5-12176.300000112.4Y764 H766 L767 D971Y764-A973 HydrophobicContact CE2-CB 4.4Å; H766-A973 WeakPolarHBondContact CA-O 3.42Å; L767-A973 PolarHBondContact N-O 2.9Å; D971-A973 VanDerWaalsContact C-N 3.25Å; D971-A973 PolarHBondContact O-N 3.33Å; D971-A973 PolarHBondContact OD1-N 2.78Å
974I97.7Very high94.6Very high0 Ų026.6 Ų26.60%015%0.146CC..EExtended strand (participates in β ladder)trans-118.1115.6-175.5-50.6179.7000110I747 R749 Y764 L767 L769 L955 T969 D971 I972I747-I974 HydrophobicContact CG2-CD1 4.4Å; R749-I974 HydrophobicContact CG-CD1 3.98Å; Y764-I974 HydrophobicContact CE2-CG1 4.32Å; L767-I974 HydrophobicContact CB-CG1 4.16Å; L767-I974 HydrophobicContact CB-CG2 4.34Å; L767-I974 HydrophobicContact CD2-CD1 4.23Å; L767-I974 HydrophobicContact CD2-CG1 4.28Å; L767-I974 HydrophobicContact CD2-CG2 4.19Å; L767-I974 HydrophobicContact CG-CG2 4.35Å; L767-I974 WeakPolarHBondContact O-CA 3.33Å; L769-I974 HydrophobicContact CD1-CG2 3.7Å; L769-I974 HydrophobicContact CG-CG2 4.12Å; L955-I974 HydrophobicContact CD1-CD1 4.32Å; L955-I974 HydrophobicContact CD1-CG2 4.37Å; L955-I974 HydrophobicContact CD2-CD1 4.23Å; T969-I974 HydrophobicContact CG2-CG2 4.11Å; T969-I974 WeakPolarHBondContact CG2-O 3.35Å; T969-I974 PolarHBondContact N-O 3Å; T969-I974 PolarHBondContact OG1-O 2.71Å; D971-I974 HydrophobicContact CB-CB 4.16Å; D971-I974 HydrophobicContact CB-CD1 4.1Å; D971-I974 HydrophobicContact CB-CG1 4.06Å; D971-I974 PolarHBondContact O-N 3.13Å; D971-I974 VanDerWaalsContact O-N 3.1Å; I972-I974 VanDerWaalsContact C-N 3.27Å
975R97.9Very high94.4Very high16 Ų1628.6 Ų28.66%0.0616%0.157CC..EExtended strand (participates in β ladder)trans-108.6155.6172.6-63.7179.8-169-79.5-8.4110.6L767 I768 L769 N966 F967 H968 L1006L767-R975 PolarHBondContact O-N 2.95Å; I768-R975 WeakPolarHBondContact CA-O 3.39Å; L769-R975 PolarHBondContact N-O 3.21Å; N966-R975 PolarHBondContact O-NH1 3.43Å; F967-R975 HydrophobicContact CB-CB 4.38Å; F967-R975 CarbonylContact O-C 3.45Å; F967-R975 WeakPolarHBondContact O-CA 3.36Å; F967-R975 WeakPolarHBondContact O-CB 3.45Å; H968-R975 VanDerWaalsContact CD2-CZ 3.42Å; H968-R975 PolarHBondContact CD2-NH1 3.23Å; H968-R975 PolarHBondContact CD2-NH2 3.07Å; H968-R975 PolarHBondContact CE1-NH1 3.12Å; H968-R975 PolarHBondContact NE2-NH1 3.31Å; H968-R975 PolarHBondContact NE2-NH2 2.73Å; R975-L1006 HydrophobicContact CB-CD1 4.23Å
976A98.1Very high94.3Very high0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-143148.4176.100000112.2L769 L961 I963 F967 T969 L980 T981L769-A976 HydrophobicContact CB-CB 3.9Å; L769-A976 VanDerWaalsContact O-CA 3.3Å; L769-A976 WeakPolarHBondContact O-CA 3.28Å; L961-A976 HydrophobicContact CD2-CB 3.42Å; L961-A976 VanDerWaalsContact CD2-CB 3.42Å; L961-A976 HydrophobicContact CG-CB 4.31Å; I963-A976 HydrophobicContact CG2-CB 3.93Å; F967-A976 PolarHBondContact O-N 2.92Å; T969-A976 HydrophobicContact CG2-CB 4.22Å; A976-L980 HydrophobicContact CB-CD1 4.33Å; A976-T981 HydrophobicContact CB-CG2 3.59Å
977A97.8Very high94.1Very high0 Ų030 Ų300%015%0.154CC..  trans-150.7165.8178.100000112.9V676 L769 F967 L980 I1002 L1006V676-A977 HydrophobicContact CG1-CB 3.63Å; L769-A977 PolarHBondContact O-N 2.95Å; F967-A977 HydrophobicContact CD1-CB 3.95Å; F967-A977 HydrophobicContact CE1-CB 4.29Å; A977-L980 WeakPolarHBondContact O-CD2 3.42Å; A977-I1002 HydrophobicContact CB-CG2 3.96Å; A977-L1006 HydrophobicContact CB-CD2 3.82Å
978G96.4Very high93.5Very high5 Ų539.4 Ų39.45%0.05219%0.19CC..SBendtrans84.9-168.3-17900000114.2L980 T981 H994G978-L980 PolarHBondContact O-N 3.33Å; G978-T981 PolarHBondContact O-N 2.91Å; G978-T981 PolarHBondContact O-OG1 3.42Å; G978-H994 PolarHBondContact N-ND1 2.88Å; G978-H994 WeakPolarHBondContact O-CB 3.45Å
979S95.1Very high92.9Very high34 Ų3439.1 Ų39.124%0.23819%0.192CC..THydrogen-bonded Turntrans-62.6-15.3-168.353.30000115.3G772 Q773 T981G772-S979 WeakPolarHBondContact CA-OG 3.41Å; Q773-S979 PolarHBondContact N-OG 3.43Å; Q773-S979 VanDerWaalsContact N-OG 3.14Å; S979-T981 PolarHBondContact O-N 3.36Å
980L95.7Very high92.3Very high1 Ų142.8 Ų42.81%0.00521%0.211CC..THydrogen-bonded Turntrans-71.6-13.3173.780.6117000113.6L769 V942 R960 L961 A976 A977 G978L769-L980 WeakPolarHBondContact O-CD2 3.49Å; V942-L980 HydrophobicContact CG2-CB 4.27Å; R960-L980 WeakPolarHBondContact CB-O 3.34Å; L961-L980 HydrophobicContact CB-CD1 3.79Å; L961-L980 HydrophobicContact CD2-CD1 3.63Å; L961-L980 HydrophobicContact CG-CD1 4.37Å; L961-L980 PolarHBondContact N-O 2.53Å; A976-L980 HydrophobicContact CB-CD1 4.33Å; A977-L980 WeakPolarHBondContact O-CD2 3.42Å; G978-L980 PolarHBondContact O-N 3.33Å
981T96.2Very high92Very high1 Ų145.6 Ų45.61%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-104.9159.4-169.4620000114R960 L961 I963 A976 G978 S979 H994R960-T981 WeakPolarHBondContact CD-O 3.41Å; L961-T981 CarbonylContact O-C 3.57Å; L961-T981 VanDerWaalsContact O-CA 3.27Å; L961-T981 WeakPolarHBondContact O-CA 3.41Å; I963-T981 HydrophobicContact CD1-CG2 4.23Å; I963-T981 HydrophobicContact CG2-CG2 4.07Å; A976-T981 HydrophobicContact CB-CG2 3.59Å; G978-T981 PolarHBondContact O-N 2.91Å; G978-T981 PolarHBondContact O-OG1 3.42Å; S979-T981 PolarHBondContact O-N 3.36Å; T981-H994 PolarHBondContact OG1-ND1 2.95Å
982K95.1Very high91.8Very high24 Ų2446.6 Ų46.610%0.10422%0.224CC..EExtended strand (participates in β ladder)trans-143.3142.7174.9148.3177.5178.3172.10108.5D958 R960 L961 V962 I963 N985D958-K982 IonicContact OD2-NZ 3.89Å; D958-K982 PolarHBondContact OD2-NZ 3.42Å; R960-K982 HydrophobicContact CB-CB 3.74Å; L961-K982 PolarHBondContact O-N 3.36Å; V962-K982 CarbonylContact C-O 3.56Å; V962-K982 WeakPolarHBondContact CA-O 3.31Å; I963-K982 WeakPolarHBondContact CG1-O 3.32Å; I963-K982 PolarHBondContact N-O 3.43Å; K982-N985 WeakPolarHBondContact CE-OD1 3.43Å; K982-N985 PolarHBondContact NZ-OD1 3.19Å
983F94.1Very high91.9Very high4 Ų440.7 Ų40.72%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-71.3147.8171.2-65.5-66.3000111.7I963 Y987 W992 H994 I1032I963-F983 HydrophobicContact CD1-CD1 4.33Å; I963-F983 HydrophobicContact CD1-CE1 4.17Å; I963-F983 HydrophobicContact CG1-CD1 4.21Å; I963-F983 CarbonylContact O-C 3.54Å; I963-F983 WeakPolarHBondContact O-CA 3.38Å; F983-Y987 HydrophobicContact CB-CD2 4.04Å; F983-W992 WeakPolarHBondContact CD2-O 3.47Å; F983-H994 AromaticContact CZ-CD2 3.96Å; F983-H994 AromaticContact CZ-NE2 3.66Å; F983-I1032 HydrophobicContact CB-CG2 4.1Å; F983-I1032 HydrophobicContact CD1-CG2 4.24Å; F983-I1032 HydrophobicContact CD2-CB 4.24Å; F983-I1032 HydrophobicContact CD2-CD1 4.12Å; F983-I1032 HydrophobicContact CD2-CG2 3.88Å; F983-I1032 HydrophobicContact CE2-CB 4.25Å; F983-I1032 HydrophobicContact CE2-CD1 4.16Å; F983-I1032 HydrophobicContact CE2-CG2 4.38Å; F983-I1032 HydrophobicContact CG-CG2 3.81Å
984S90.7Very high92Very high33 Ų3340.3 Ų40.323%0.23119%0.19CC..  trans-54.1140.5176.1176.60000112.8I963 R986 Y987I963-S984 PolarHBondContact O-N 3.47Å; S984-R986 PolarHBondContact O-N 3.26Å; S984-R986 PolarHBondContact OG-N 3.24Å; S984-Y987 WeakPolarHBondContact O-CD2 3.16Å; S984-Y987 PolarHBondContact O-N 3.1Å
985N88.1Confident91.7Very high75 Ų7542 Ų4240%0.40120%0.202SC..G310 helixtrans-58.5-15.5178.6-66.3-26.1000112.5D958 K982 Y987 Y988 N990D958-N985 PolarHBondContact OD2-ND2 3.27Å; K982-N985 WeakPolarHBondContact CE-OD1 3.43Å; K982-N985 PolarHBondContact NZ-OD1 3.19Å; N985-Y987 PolarHBondContact O-N 3.48Å; N985-Y988 PolarHBondContact O-N 3.06Å; N985-Y988 VanDerWaalsContact O-N 3.11Å; N985-N990 PolarHBondContact OD1-OD1 2.91Å
986R86.1Confident91.5Very high120 Ų12041.8 Ų41.845%0.45320%0.202SC..G310 helixtrans-58.5-23.217479.9-175.2-169159.16.5114S984 Y988S984-R986 PolarHBondContact O-N 3.26Å; S984-R986 PolarHBondContact OG-N 3.24Å; R986-Y988 WeakPolarHBondContact O-CD2 3.38Å; R986-Y988 WeakPolarHBondContact O-CE2 3.42Å
987Y85.4Confident91.4Very high15 Ų1542 Ų426%0.05920%0.203CC..G310 helixtrans-89.8-3.8-179.8-57.7-69.5000113.6T965 F983 S984 N985 S989 D1029 I1032T965-Y987 HydrophobicContact CG2-CD1 4.38Å; T965-Y987 HydrophobicContact CG2-CE1 3.53Å; T965-Y987 HydrophobicContact CG2-CE2 4.26Å; T965-Y987 VanDerWaalsContact CG2-CZ 3.43Å; T965-Y987 VanDerWaalsContact CG2-OH 3.23Å; T965-Y987 WeakPolarHBondContact CG2-OH 3.09Å; T965-Y987 PolarHBondContact N-OH 2.76Å; T965-Y987 PolarHBondContact OG1-OH 2.88Å; T965-Y987 VanDerWaalsContact OG1-OH 3.08Å; F983-Y987 HydrophobicContact CB-CD2 4.04Å; S984-Y987 WeakPolarHBondContact O-CD2 3.16Å; S984-Y987 PolarHBondContact O-N 3.1Å; N985-Y987 PolarHBondContact O-N 3.48Å; Y987-S989 PolarHBondContact O-N 2.95Å; Y987-S989 VanDerWaalsContact O-N 3.12Å; Y987-D1029 WeakPolarHBondContact CE1-O 3.36Å; Y987-I1032 HydrophobicContact CD1-CG2 4.3Å; Y987-I1032 HydrophobicContact CD2-CG2 4.18Å; Y987-I1032 HydrophobicContact CG-CG2 3.85Å
988Y83.6Confident91.3Very high204 Ų20443 Ų4380%0.821%0.21SC*.SBendtrans52.831.4-178.9-56.7-84.9000114.5N985 R986N985-Y988 PolarHBondContact O-N 3.06Å; N985-Y988 VanDerWaalsContact O-N 3.11Å; R986-Y988 WeakPolarHBondContact O-CD2 3.38Å; R986-Y988 WeakPolarHBondContact O-CE2 3.42Å
989S81.9Confident91.3Very high25 Ų2544.7 Ų44.718%0.17522%0.22CC..  trans-131.651.9-171.9-163.10000112.4Y987 E991 W992 I1032Y987-S989 PolarHBondContact O-N 2.95Å; Y987-S989 VanDerWaalsContact O-N 3.12Å; S989-E991 PolarHBondContact O-N 2.84Å; S989-W992 PolarHBondContact O-N 3.16Å; S989-I1032 WeakPolarHBondContact OG-CD1 3.35Å
990N83.6Confident91.4Very high91 Ų9146.3 Ų46.349%0.48722%0.223SC..THydrogen-bonded Turntrans-64.6-23.7-171.7-66.3-13.1000114.3N985N985-N990 PolarHBondContact OD1-OD1 2.91Å
991E87.2Confident91.4Very high135 Ų13548.2 Ų48.263%0.63123%0.232SC*.THydrogen-bonded Turntrans-77.8-25.4-179.5-60.9-174.1168.800112.6S989 N996 I1059S989-E991 PolarHBondContact O-N 2.84Å; E991-N996 PolarHBondContact O-OD1 2.66Å; E991-I1059 HydrophobicContact CB-CD1 3.94Å; E991-I1059 HydrophobicContact CB-CG1 4.14Å; E991-I1059 VanDerWaalsContact OE2-CD1 3.29Å; E991-I1059 WeakPolarHBondContact OE2-CD1 3.12Å
992W91.8Very high91.5Very high49 Ų4948.2 Ų48.219%0.18623%0.232CC..  trans-88.1120.9177.9-72.797.6000110.1F983 S989 N996 F997 I1032 M1034 I1059F983-W992 WeakPolarHBondContact CD2-O 3.47Å; S989-W992 PolarHBondContact O-N 3.16Å; W992-N996 HydrophobicContact CE3-CB 4Å; W992-N996 HydrophobicContact CZ3-CB 4.18Å; W992-F997 HydrophobicContact CD2-CZ 4.35Å; W992-F997 AromaticContact CE3-CE1 3.99Å; W992-F997 HydrophobicContact CE3-CE1 3.99Å; W992-F997 AromaticContact CE3-CE2 3.87Å; W992-F997 HydrophobicContact CE3-CE2 3.87Å; W992-F997 AromaticContact CE3-CZ 3.33Å; W992-F997 HydrophobicContact CE3-CZ 3.33Å; W992-F997 AromaticContact CZ3-CE1 3.75Å; W992-F997 HydrophobicContact CZ3-CE1 3.75Å; W992-F997 HydrophobicContact CZ3-CE2 4.41Å; W992-F997 AromaticContact CZ3-CZ 3.6Å; W992-F997 HydrophobicContact CZ3-CZ 3.6Å; W992-I1032 HydrophobicContact CB-CD1 3.35Å; W992-I1032 HydrophobicContact CG-CD1 3.82Å; W992-M1034 HydrophobicContact CE3-CE 4.26Å; W992-M1034 HydrophobicContact CH2-CE 3.66Å; W992-M1034 HydrophobicContact CZ2-CE 3.98Å; W992-M1034 HydrophobicContact CZ3-CE 3.82Å; W992-I1059 HydrophobicContact CD2-CD1 4.38Å; W992-I1059 HydrophobicContact CD2-CG1 4.2Å; W992-I1059 HydrophobicContact CZ2-CD1 4.07Å; W992-I1059 HydrophobicContact CZ2-CG1 4.06Å; W992-I1059 VanDerWaalsContact NE1-CD1 3.33Å
993T93.4Very high91.6Very high11 Ų1147 Ų477%0.06723%0.227CC..  trans-137.8167.2176.965.10000109.1R960 S995 N996 F997R960-T993 PolarHBondContact NH1-OG1 3.43Å; R960-T993 VanDerWaalsContact NH1-OG1 3.16Å; T993-S995 PolarHBondContact O-N 2.9Å; T993-S995 PolarHBondContact OG1-N 2.76Å; T993-S995 PolarHBondContact OG1-OG 3.09Å; T993-N996 PolarHBondContact N-OD1 2.91Å; T993-N996 WeakPolarHBondContact O-CB 3.39Å; T993-N996 PolarHBondContact O-N 3.02Å; T993-N996 PolarHBondContact O-OD1 3.47Å; T993-N996 VanDerWaalsContact O-OD1 3.04Å; T993-N996 PolarHBondContact OG1-OD1 2.94Å; T993-F997 VanDerWaalsContact O-CD2 3.24Å; T993-F997 WeakPolarHBondContact O-CD2 3.21Å; T993-F997 WeakPolarHBondContact O-CE2 3.31Å
994H95.1Very high91.7Very high4 Ų451 Ų512%0.01925%0.245CC..G310 helixtrans-56.4-23.5173.7-71.5154.4000113.9I963 F967 G978 T981 F983 N996 F997 I1002I963-H994 WeakPolarHBondContact CD1-CE1 3.49Å; F967-H994 AromaticContact CD1-CE1 3.46Å; F967-H994 VanDerWaalsContact CD1-CE1 3.46Å; F967-H994 WeakPolarHBondContact CD1-CE1 3.19Å; F967-H994 AromaticContact CD1-NE2 3.95Å; F967-H994 AromaticContact CE1-CE1 3.37Å; F967-H994 WeakPolarHBondContact CE1-CE1 3.49Å; F967-H994 AromaticContact CE1-NE2 3.44Å; F967-H994 WeakPolarHBondContact CE1-NE2 3.5Å; G978-H994 PolarHBondContact N-ND1 2.88Å; G978-H994 WeakPolarHBondContact O-CB 3.45Å; T981-H994 PolarHBondContact OG1-ND1 2.95Å; F983-H994 AromaticContact CZ-CD2 3.96Å; F983-H994 AromaticContact CZ-NE2 3.66Å; H994-N996 PolarHBondContact O-N 3.48Å; H994-F997 PolarHBondContact O-N 3.21Å; H994-F997 VanDerWaalsContact O-N 3.16Å; H994-I1002 HydrophobicContact CB-CG1 4.42Å; H994-I1002 HydrophobicContact CB-CG2 4.43Å
995S93.1Very high92Very high36 Ų3652.8 Ų52.825%0.25225%0.249SC..G310 helixtrans-66.3-15.6175.372.20000114.3R960 T993 F997 K1039R960-S995 PolarHBondContact NH1-OG 2.9Å; T993-S995 PolarHBondContact O-N 2.9Å; T993-S995 PolarHBondContact OG1-N 2.76Å; T993-S995 PolarHBondContact OG1-OG 3.09Å; S995-F997 VanDerWaalsContact C-N 3.35Å; S995-K1039 PolarHBondContact O-NZ 3.1Å
996N94Very high92.4Very high10 Ų1049.2 Ų49.25%0.05323%0.23CC..G310 helixtrans-83.2-12.4176.3-58.791.2000113E991 W992 T993 H994 P1057 A1058E991-N996 PolarHBondContact O-OD1 2.66Å; W992-N996 HydrophobicContact CE3-CB 4Å; W992-N996 HydrophobicContact CZ3-CB 4.18Å; T993-N996 PolarHBondContact N-OD1 2.91Å; T993-N996 WeakPolarHBondContact O-CB 3.39Å; T993-N996 PolarHBondContact O-N 3.02Å; T993-N996 PolarHBondContact O-OD1 3.47Å; T993-N996 VanDerWaalsContact O-OD1 3.04Å; T993-N996 PolarHBondContact OG1-OD1 2.94Å; H994-N996 PolarHBondContact O-N 3.48Å; N996-P1057 WeakPolarHBondContact O-CB 3.48Å; N996-A1058 PolarHBondContact ND2-O 2.75Å
997F95.4Very high92.9Very high6 Ų643.5 Ų43.53%0.02621%0.209CC..SBendtrans-116172.7-172.5-56.6-77000112.1W992 T993 H994 S995 S999 I1002 M1034 Y1035 P1057W992-F997 HydrophobicContact CD2-CZ 4.35Å; W992-F997 AromaticContact CE3-CE1 3.99Å; W992-F997 HydrophobicContact CE3-CE1 3.99Å; W992-F997 AromaticContact CE3-CE2 3.87Å; W992-F997 HydrophobicContact CE3-CE2 3.87Å; W992-F997 AromaticContact CE3-CZ 3.33Å; W992-F997 HydrophobicContact CE3-CZ 3.33Å; W992-F997 AromaticContact CZ3-CE1 3.75Å; W992-F997 HydrophobicContact CZ3-CE1 3.75Å; W992-F997 HydrophobicContact CZ3-CE2 4.41Å; W992-F997 AromaticContact CZ3-CZ 3.6Å; W992-F997 HydrophobicContact CZ3-CZ 3.6Å; T993-F997 VanDerWaalsContact O-CD2 3.24Å; T993-F997 WeakPolarHBondContact O-CD2 3.21Å; T993-F997 WeakPolarHBondContact O-CE2 3.31Å; H994-F997 PolarHBondContact O-N 3.21Å; H994-F997 VanDerWaalsContact O-N 3.16Å; S995-F997 VanDerWaalsContact C-N 3.35Å; F997-S999 PolarHBondContact O-N 3.13Å; F997-I1002 HydrophobicContact CB-CD1 3.95Å; F997-I1002 HydrophobicContact CB-CG1 4.06Å; F997-I1002 HydrophobicContact CD2-CD1 4.47Å; F997-I1002 HydrophobicContact CG-CD1 4.44Å; F997-M1034 HydrophobicContact CE1-CE 4.04Å; F997-M1034 HydrophobicContact CZ-CE 4.16Å; F997-M1034 HydrophobicContact CZ-SD 4.19Å; F997-Y1035 HydrophobicContact CB-CD2 4.15Å; F997-Y1035 AromaticContact CD1-CD2 3.74Å; F997-Y1035 HydrophobicContact CD1-CD2 3.74Å; F997-Y1035 HydrophobicContact CD1-CG 4.2Å; F997-Y1035 AromaticContact CD2-CD2 3.7Å; F997-Y1035 HydrophobicContact CD2-CD2 3.7Å; F997-Y1035 HydrophobicContact CD2-CE2 4.26Å; F997-Y1035 AromaticContact CE1-CD2 3.96Å; F997-Y1035 HydrophobicContact CE1-CD2 3.96Å; F997-Y1035 AromaticContact CE2-CD2 3.93Å; F997-Y1035 HydrophobicContact CE2-CD2 3.93Å; F997-Y1035 HydrophobicContact CE2-CE2 4.36Å; F997-Y1035 AromaticContact CG-CD2 3.59Å; F997-Y1035 HydrophobicContact CG-CD2 3.59Å; F997-Y1035 HydrophobicContact CG-CG 4.29Å; F997-Y1035 HydrophobicContact CZ-CD2 4.04Å; F997-P1057 HydrophobicContact CD1-CB 3.46Å; F997-P1057 VanDerWaalsContact CD1-CB 3.46Å; F997-P1057 HydrophobicContact CD1-CG 3.95Å; F997-P1057 HydrophobicContact CE1-CB 3.83Å; F997-P1057 HydrophobicContact CG-CB 4.44Å
998S95.9Very high93.3Very high21 Ų2144.1 Ų44.115%0.14722%0.216CC..  trans-69.7122.3175.6179.50000111.1K1000 E1001 I1002S998-K1000 PolarHBondContact O-N 2.82Å; S998-E1001 PolarHBondContact O-N 2.88Å; S998-E1001 VanDerWaalsContact O-N 3.1Å; S998-I1002 WeakPolarHBondContact O-CG1 3.42Å; S998-I1002 PolarHBondContact O-N 3.27Å
999S96.4Very high93.7Very high39 Ų3935.9 Ų35.927%0.27319%0.191SC..Hα-helixtrans-54.6-38177.1-60.40000112.7V676 F997 I1002 G1003V676-S999 WeakPolarHBondContact CG2-O 3.37Å; F997-S999 PolarHBondContact O-N 3.13Å; S999-I1002 PolarHBondContact O-N 3.03Å; S999-G1003 PolarHBondContact O-N 3.25Å
1000K95.9Very high94.2Very high69 Ų6934.8 Ų34.830%0.318%0.183SC..Hα-helixtrans-67.1-42.3178.1-170166.5-169.9156.40112.1S679 E682 C722 F723 S998 G1003 F1004S679-K1000 PolarHBondContact OG-O 3.02Å; E682-K1000 IonicContact OE2-NZ 3.42Å; C722-K1000 HydrophobicContact CB-CB 4.25Å; C722-K1000 PolarHBondContact O-NZ 2.65Å; F723-K1000 HydrophobicContact CE1-CD 4.48Å; F723-K1000 HydrophobicContact CE2-CG 4.5Å; F723-K1000 HydrophobicContact CZ-CD 4.1Å; F723-K1000 HydrophobicContact CZ-CG 4.2Å; S998-K1000 PolarHBondContact O-N 2.82Å; K1000-G1003 PolarHBondContact O-N 3.28Å; K1000-F1004 WeakPolarHBondContact O-CB 3.39Å; K1000-F1004 PolarHBondContact O-N 3.34Å; K1000-F1004 VanDerWaalsContact O-N 3.07Å
1001E96.7Very high94.6Very high41 Ų4131.2 Ų31.219%0.19216%0.164CC..Hα-helixtrans-66.3-41.4176.1-171.9178.4-162.700111.6S998 G1003 F1004 Q1005 Y1035 K1036 G1037S998-E1001 PolarHBondContact O-N 2.88Å; S998-E1001 VanDerWaalsContact O-N 3.1Å; E1001-G1003 PolarHBondContact O-N 2.99Å; E1001-F1004 PolarHBondContact O-N 3.04Å; E1001-Q1005 HydrophobicContact CG-CG 4.35Å; E1001-Q1005 WeakPolarHBondContact O-CB 3.3Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.48Å; E1001-Q1005 PolarHBondContact O-N 3.3Å; E1001-Y1035 HydrophobicContact CG-CD1 4.42Å; E1001-Y1035 WeakPolarHBondContact OE2-CB 3.35Å; E1001-K1036 PolarHBondContact OE1-N 2.78Å; E1001-K1036 PolarHBondContact OE2-N 2.7Å; E1001-G1037 VanDerWaalsContact CD-N 3.33Å; E1001-G1037 PolarHBondContact OE1-N 2.89Å; E1001-G1037 WeakPolarHBondContact OE2-CA 3.49Å; E1001-G1037 PolarHBondContact OE2-N 3.4Å
1002I97.4Very high94.7Very high0 Ų028.8 Ų28.80%015%0.152CC..Hα-helixtrans-60.3-45.8176.7-64.8-54.9000111.5V676 F967 A977 H994 F997 S998 S999 Q1005 L1006 Y1035V676-I1002 HydrophobicContact CG1-CG2 4Å; V676-I1002 HydrophobicContact CG2-CG2 4.38Å; F967-I1002 HydrophobicContact CE1-CG2 4.09Å; A977-I1002 HydrophobicContact CB-CG2 3.96Å; H994-I1002 HydrophobicContact CB-CG1 4.42Å; H994-I1002 HydrophobicContact CB-CG2 4.43Å; F997-I1002 HydrophobicContact CB-CD1 3.95Å; F997-I1002 HydrophobicContact CB-CG1 4.06Å; F997-I1002 HydrophobicContact CD2-CD1 4.47Å; F997-I1002 HydrophobicContact CG-CD1 4.44Å; S998-I1002 WeakPolarHBondContact O-CG1 3.42Å; S998-I1002 PolarHBondContact O-N 3.27Å; S999-I1002 PolarHBondContact O-N 3.03Å; I1002-Q1005 PolarHBondContact O-N 3.2Å; I1002-L1006 WeakPolarHBondContact O-CB 3.29Å; I1002-L1006 PolarHBondContact O-N 2.64Å; I1002-Y1035 HydrophobicContact CD1-CD1 4.09Å; I1002-Y1035 HydrophobicContact CD1-CD2 3.34Å; I1002-Y1035 HydrophobicContact CD1-CE1 4.01Å; I1002-Y1035 HydrophobicContact CD1-CE2 3.22Å; I1002-Y1035 HydrophobicContact CD1-CG 3.76Å
1003G97.5Very high94.5Very high0 Ų030.8 Ų30.80%017%0.166CC..Hα-helixtrans-63.6-41.2178.100000112.9V676 S999 K1000 E1001 A1007V676-G1003 WeakPolarHBondContact O-CA 3.19Å; S999-G1003 PolarHBondContact O-N 3.25Å; K1000-G1003 PolarHBondContact O-N 3.28Å; E1001-G1003 PolarHBondContact O-N 2.99Å; G1003-A1007 PolarHBondContact O-N 2.84Å; G1003-A1007 VanDerWaalsContact O-N 3.08Å
1004F96.9Very high94.2Very high88 Ų8831.5 Ų31.539%0.38617%0.168SC..Hα-helixtrans-59.9-46.4172.1172.5-95.4000112.3S679 T683 K1000 E1001 A1007 A1008S679-F1004 PolarHBondContact OG-N 3.2Å; T683-F1004 HydrophobicContact CG2-CD2 3.84Å; T683-F1004 HydrophobicContact CG2-CE2 4.11Å; K1000-F1004 WeakPolarHBondContact O-CB 3.39Å; K1000-F1004 PolarHBondContact O-N 3.34Å; K1000-F1004 VanDerWaalsContact O-N 3.07Å; E1001-F1004 PolarHBondContact O-N 3.04Å; F1004-A1007 PolarHBondContact O-N 2.85Å; F1004-A1008 WeakPolarHBondContact O-CB 3.42Å; F1004-A1008 PolarHBondContact O-N 2.87Å
1005Q96.4Very high93.8Very high70 Ų7031.8 Ų31.833%0.32717%0.17SC..Hα-helixtrans-68.1-36.8-178.6-68.2-66.9-20.500112.4F967 E1001 I1002 A1007 A1008 A1009 Y1035F967-Q1005 HydrophobicContact CE2-CB 4.47Å; F967-Q1005 HydrophobicContact CZ-CB 4.09Å; E1001-Q1005 HydrophobicContact CG-CG 4.35Å; E1001-Q1005 WeakPolarHBondContact O-CB 3.3Å; E1001-Q1005 WeakPolarHBondContact O-CG 3.48Å; E1001-Q1005 PolarHBondContact O-N 3.3Å; I1002-Q1005 PolarHBondContact O-N 3.2Å; Q1005-A1007 VanDerWaalsContact C-N 3.35Å; Q1005-A1008 PolarHBondContact O-N 3.09Å; Q1005-A1009 WeakPolarHBondContact O-CB 3.31Å; Q1005-A1009 PolarHBondContact O-N 3.03Å; Q1005-Y1035 HydrophobicContact CB-CE1 3.95Å; Q1005-Y1035 HydrophobicContact CG-CD1 3.93Å; Q1005-Y1035 HydrophobicContact CG-CE1 3.73Å
1006L96.6Very high93.4Very high0 Ų034.9 Ų34.90%019%0.189CC..Hα-helixtrans-60.3-45.4171.317466.3000111.3F680 I768 F967 R975 A977 I1002 A1009 M1010F680-L1006 HydrophobicContact CD2-CB 4.24Å; F680-L1006 HydrophobicContact CD2-CD2 3.74Å; F680-L1006 HydrophobicContact CD2-CG 3.67Å; F680-L1006 HydrophobicContact CE2-CD2 4.25Å; F680-L1006 HydrophobicContact CE2-CG 3.98Å; F680-L1006 HydrophobicContact CG-CD2 4.3Å; I768-L1006 HydrophobicContact CG2-CD2 3.68Å; F967-L1006 HydrophobicContact CB-CD1 3.51Å; F967-L1006 HydrophobicContact CD1-CB 4.32Å; F967-L1006 HydrophobicContact CD1-CD1 4.02Å; F967-L1006 HydrophobicContact CD2-CB 4.39Å; F967-L1006 HydrophobicContact CD2-CD1 3.87Å; F967-L1006 HydrophobicContact CE1-CB 4.24Å; F967-L1006 HydrophobicContact CE2-CB 4.32Å; F967-L1006 HydrophobicContact CG-CB 4.4Å; F967-L1006 HydrophobicContact CG-CD1 3.54Å; F967-L1006 HydrophobicContact CZ-CB 4.25Å; R975-L1006 HydrophobicContact CB-CD1 4.23Å; A977-L1006 HydrophobicContact CB-CD2 3.82Å; I1002-L1006 WeakPolarHBondContact O-CB 3.29Å; I1002-L1006 PolarHBondContact O-N 2.64Å; L1006-A1009 PolarHBondContact O-N 2.68Å; L1006-M1010 WeakPolarHBondContact O-CG 3.35Å; L1006-M1010 PolarHBondContact O-N 2.66Å; L1006-M1010 VanDerWaalsContact O-N 3.12Å
1007A96.6Very high92.8Very high0 Ų039 Ų390%022%0.215CC..Hα-helixtrans-65-45.1177.600000111.6F680 T683 L684 G1003 F1004 Q1005 A1009 M1010 L1011F680-A1007 HydrophobicContact CD2-CB 3.65Å; F680-A1007 HydrophobicContact CE2-CB 4.09Å; F680-A1007 HydrophobicContact CG-CB 4.39Å; T683-A1007 HydrophobicContact CG2-CB 3.6Å; L684-A1007 HydrophobicContact CD2-CB 4.24Å; L684-A1007 HydrophobicContact CG-CB 4.47Å; G1003-A1007 PolarHBondContact O-N 2.84Å; G1003-A1007 VanDerWaalsContact O-N 3.08Å; F1004-A1007 PolarHBondContact O-N 2.85Å; Q1005-A1007 VanDerWaalsContact C-N 3.35Å; A1007-A1009 VanDerWaalsContact C-N 3.33Å; A1007-A1009 PolarHBondContact O-N 2.86Å; A1007-M1010 CarbonylContact O-C 3.59Å; A1007-M1010 PolarHBondContact O-N 3.25Å; A1007-M1010 VanDerWaalsContact O-N 3.08Å; A1007-L1011 WeakPolarHBondContact O-CG 3.39Å; A1007-L1011 PolarHBondContact O-N 3.47Å
1008A93.7Very high92.2Very high27 Ų2741.8 Ų41.822%0.22323%0.23CC..Hα-helixtrans-57.3-44.9176.300000112F1004 Q1005 M1010 L1011 H1012F1004-A1008 WeakPolarHBondContact O-CB 3.42Å; F1004-A1008 PolarHBondContact O-N 2.87Å; Q1005-A1008 PolarHBondContact O-N 3.09Å; A1008-M1010 VanDerWaalsContact C-N 3.29Å; A1008-M1010 PolarHBondContact O-N 3.22Å; A1008-L1011 PolarHBondContact O-N 3.34Å; A1008-H1012 PolarHBondContact O-CD2 3.45Å; A1008-H1012 VanDerWaalsContact O-CD2 3.26Å
1009A91.4Very high91Very high32 Ų3248.8 Ų48.826%0.26426%0.26SS..Hα-helixtrans-61.2-37.2175.600000112.6F967 Q1005 L1006 A1007F967-A1009 HydrophobicContact CD2-CB 4.4Å; F967-A1009 HydrophobicContact CE2-CB 4.47Å; Q1005-A1009 WeakPolarHBondContact O-CB 3.31Å; Q1005-A1009 PolarHBondContact O-N 3.03Å; L1006-A1009 PolarHBondContact O-N 2.68Å; A1007-A1009 VanDerWaalsContact C-N 3.33Å; A1007-A1009 PolarHBondContact O-N 2.86Å
1010M92.4Very high89.6Confident1 Ų152.6 Ų52.61%0.00528%0.284CS..Hα-helixtrans-78.7-27.8178.2-72.3-16867.600113.9F680 H766 I768 L1006 A1007 A1008 H1012 L1013 F1014F680-M1010 HydrophobicContact CE2-CB 4.44Å; F680-M1010 HydrophobicContact CE2-CG 4.33Å; F680-M1010 HydrophobicContact CE2-SD 3.53Å; F680-M1010 VanDerWaalsContact CE2-SD 3.53Å; F680-M1010 HydrophobicContact CZ-CE 4.41Å; F680-M1010 HydrophobicContact CZ-SD 3.65Å; H766-M1010 HydrophobicContact CB-CE 3.95Å; I768-M1010 HydrophobicContact CD1-CE 4.1Å; I768-M1010 HydrophobicContact CD1-SD 4.21Å; I768-M1010 HydrophobicContact CG1-CE 4.41Å; I768-M1010 HydrophobicContact CG1-SD 3.89Å; L1006-M1010 WeakPolarHBondContact O-CG 3.35Å; L1006-M1010 PolarHBondContact O-N 2.66Å; L1006-M1010 VanDerWaalsContact O-N 3.12Å; A1007-M1010 CarbonylContact O-C 3.59Å; A1007-M1010 PolarHBondContact O-N 3.25Å; A1007-M1010 VanDerWaalsContact O-N 3.08Å; A1008-M1010 VanDerWaalsContact C-N 3.29Å; A1008-M1010 PolarHBondContact O-N 3.22Å; M1010-H1012 PolarHBondContact O-N 3.02Å; M1010-L1013 VanDerWaalsContact O-CB 3.26Å; M1010-L1013 WeakPolarHBondContact O-CB 3.37Å; M1010-L1013 WeakPolarHBondContact O-CG 3.42Å; M1010-L1013 PolarHBondContact O-N 2.97Å; M1010-F1014 HydrophobicContact CB-CE2 4.32Å; M1010-F1014 HydrophobicContact CE-CE2 4Å; M1010-F1014 HydrophobicContact CE-CZ 4.14Å; M1010-F1014 WeakPolarHBondContact O-CD2 3.46Å
1011L92.3Very high88.1Confident17 Ų1754 Ų549%0.08930%0.298CS..Hα-helixtrans-60-31.1179.4-78.9169.8000111.9L684 L690 F692 A1007 A1008 L1013 F1014 D1015 L1018L684-L1011 HydrophobicContact CD2-CD2 3.58Å; L684-L1011 HydrophobicContact CD2-CG 3.87Å; L690-L1011 HydrophobicContact CD1-CD2 3.58Å; F692-L1011 HydrophobicContact CZ-CD2 4.28Å; A1007-L1011 WeakPolarHBondContact O-CG 3.39Å; A1007-L1011 PolarHBondContact O-N 3.47Å; A1008-L1011 PolarHBondContact O-N 3.34Å; L1011-L1013 PolarHBondContact O-N 3.44Å; L1011-L1013 VanDerWaalsContact O-N 3.08Å; L1011-F1014 PolarHBondContact O-N 3.2Å; L1011-D1015 VanDerWaalsContact O-CB 3.29Å; L1011-D1015 WeakPolarHBondContact O-CB 3.32Å; L1011-D1015 PolarHBondContact O-N 3.11Å; L1011-L1018 HydrophobicContact CB-CD1 3.85Å
1012H88.9Confident86.2Confident84 Ų8458.1 Ų58.139%0.38933%0.326SS..THydrogen-bonded Turntrans-59.5-18.1172.7-67.4-75.3000114.3A1008 M1010 E1019 V1021A1008-H1012 PolarHBondContact O-CD2 3.45Å; A1008-H1012 VanDerWaalsContact O-CD2 3.26Å; M1010-H1012 PolarHBondContact O-N 3.02Å; H1012-E1019 PolarHBondContact ND1-O 3.25Å; H1012-V1021 HydrophobicContact CB-CG2 4.07Å; H1012-V1021 VanDerWaalsContact CG-CG2 3.46Å; H1012-V1021 WeakPolarHBondContact ND1-CG2 3.45Å
1013L87.8Confident84.3Confident90 Ų9066.7 Ų66.747%0.47137%0.366SS..THydrogen-bonded Turntrans-82.4-23.5175.1-56.2175.4000112.8M1010 L1011M1010-L1013 VanDerWaalsContact O-CB 3.26Å; M1010-L1013 WeakPolarHBondContact O-CB 3.37Å; M1010-L1013 WeakPolarHBondContact O-CG 3.42Å; M1010-L1013 PolarHBondContact O-N 2.97Å; L1011-L1013 PolarHBondContact O-N 3.44Å; L1011-L1013 VanDerWaalsContact O-N 3.08Å
1014F87.8Confident82.4Confident27 Ų2770.1 Ų70.112%0.11839%0.388CS..THydrogen-bonded Turntrans-120.9-22.7-167.6-51.4-55.6000113.5V664 A666 I668 F692 H766 M1010 L1011 P1016V664-F1014 HydrophobicContact CG1-CB 4.23Å; V664-F1014 HydrophobicContact CG1-CD1 3.76Å; V664-F1014 HydrophobicContact CG1-CE1 4.32Å; V664-F1014 HydrophobicContact CG1-CG 4Å; V664-F1014 HydrophobicContact CG2-CB 3.93Å; A666-F1014 HydrophobicContact CB-CE1 3.97Å; I668-F1014 HydrophobicContact CD1-CD2 4.31Å; I668-F1014 HydrophobicContact CD1-CE1 4.45Å; I668-F1014 HydrophobicContact CD1-CE2 3.59Å; I668-F1014 HydrophobicContact CD1-CZ 3.69Å; I668-F1014 HydrophobicContact CG1-CE2 4.5Å; I668-F1014 HydrophobicContact CG1-CZ 4.17Å; F692-F1014 HydrophobicContact CE1-CD2 4.15Å; F692-F1014 HydrophobicContact CE1-CG 4.48Å; H766-F1014 AromaticContact CD2-CE1 3.92Å; H766-F1014 AromaticContact CD2-CZ 3.59Å; H766-F1014 AromaticContact NE2-CE1 3.78Å; H766-F1014 AromaticContact NE2-CZ 3.76Å; M1010-F1014 HydrophobicContact CB-CE2 4.32Å; M1010-F1014 HydrophobicContact CE-CE2 4Å; M1010-F1014 HydrophobicContact CE-CZ 4.14Å; M1010-F1014 WeakPolarHBondContact O-CD2 3.46Å; L1011-F1014 PolarHBondContact O-N 3.2Å; F1014-P1016 VanDerWaalsContact O-CD 3.3Å; F1014-P1016 WeakPolarHBondContact O-CD 3.29Å
1015D87.6Confident80.7Confident10 Ų1070 Ų705%0.05340%0.396CS..  trans-103102.6-176.1-169-9.9000110.8H689 L690 L1011 T1017 L1018H689-D1015 IonicContact CD2-OD1 3.57Å; H689-D1015 IonicContact CD2-OD2 3.04Å; H689-D1015 IonicContact CE1-OD2 3.8Å; H689-D1015 PolarHBondContact CE1-OD2 3.2Å; H689-D1015 VanDerWaalsContact NE2-CG 3.26Å; H689-D1015 IonicContact NE2-OD1 3.14Å; H689-D1015 PolarHBondContact NE2-OD1 3.34Å; H689-D1015 IonicContact NE2-OD2 3.78Å; H689-D1015 PolarHBondContact NE2-OD2 2.78Å; L690-D1015 HydrophobicContact CD1-CB 4.2Å; L690-D1015 HydrophobicContact CD2-CB 4.4Å; L1011-D1015 VanDerWaalsContact O-CB 3.29Å; L1011-D1015 WeakPolarHBondContact O-CB 3.32Å; L1011-D1015 PolarHBondContact O-N 3.11Å; D1015-T1017 VanDerWaalsContact CG-OG1 3.26Å; D1015-T1017 PolarHBondContact O-N 3.4Å; D1015-T1017 WeakPolarHBondContact OD1-CB 3.3Å; D1015-T1017 PolarHBondContact OD1-N 3.25Å; D1015-T1017 PolarHBondContact OD1-OG1 3.5Å; D1015-T1017 PolarHBondContact OD2-OG1 2.77Å; D1015-L1018 HydrophobicContact CB-CD1 3.88Å; D1015-L1018 HydrophobicContact CB-CG 3.91Å; D1015-L1018 PolarHBondContact O-N 3.03Å
1016P82.9Confident79Confident101 Ų10170.8 Ų70.866%0.65642%0.415SS*.THydrogen-bonded Turntrans-69.9-9.6178.331.5-37.6000113.3I662 F1014I662-P1016 HydrophobicContact CD1-CG 3.76Å; I662-P1016 HydrophobicContact CG1-CG 4.47Å; F1014-P1016 VanDerWaalsContact O-CD 3.3Å; F1014-P1016 WeakPolarHBondContact O-CD 3.29Å
1017T81.2Confident77.3Confident96 Ų9678 Ų7859%0.58945%0.453SS*.THydrogen-bonded Turntrans-83.6-15.4177.971.80000112.7I662 D1015I662-T1017 HydrophobicContact CD1-CG2 4.31Å; D1015-T1017 VanDerWaalsContact CG-OG1 3.26Å; D1015-T1017 PolarHBondContact O-N 3.4Å; D1015-T1017 WeakPolarHBondContact OD1-CB 3.3Å; D1015-T1017 PolarHBondContact OD1-N 3.25Å; D1015-T1017 PolarHBondContact OD1-OG1 3.5Å; D1015-T1017 PolarHBondContact OD2-OG1 2.77Å
1018L82.9Confident75.5Confident65 Ų6582.6 Ų82.634%0.3448%0.477SS..SBendtrans-80.7140.4175.1-62.2179.6000110.2L1011 D1015L1011-L1018 HydrophobicContact CB-CD1 3.85Å; D1015-L1018 HydrophobicContact CB-CD1 3.88Å; D1015-L1018 HydrophobicContact CB-CG 3.91Å; D1015-L1018 PolarHBondContact O-N 3.03Å
1019E72.3Confident74.2Confident168 Ų16884.8 Ų84.879%0.78549%0.485SS*.PPolyproline II helixtrans-60.6139172.9-67.9-177.6174.500110.3H1012 V1021H1012-E1019 PolarHBondContact ND1-O 3.25Å; E1019-V1021 PolarHBondContact O-N 3.42Å
1020P66Low73.3Confident118 Ų11891.9 Ų91.977%0.76651%0.505SS*.PPolyproline II helixtrans-61.4128.9175.623.1-30000109.2T1022P1020-T1022 PolarHBondContact O-N 3.1Å
1021V65.4Low72.9Confident99 Ų9997.1 Ų97.160%0.653%0.533SS*.  trans-62.2112.6-179.4-176.10000108.7H1012 E1019 E1023H1012-V1021 HydrophobicContact CB-CG2 4.07Å; H1012-V1021 VanDerWaalsContact CG-CG2 3.46Å; H1012-V1021 WeakPolarHBondContact ND1-CG2 3.45Å; E1019-V1021 PolarHBondContact O-N 3.42Å; V1021-E1023 PolarHBondContact O-N 3.05Å
1022T56.2Low72.6Confident127 Ų12797.3 Ų97.378%0.77953%0.534SS*.PPolyproline II helixtrans-65.3128167.942.20000109.1P1020P1020-T1022 PolarHBondContact O-N 3.1Å
1023E57.3Low72.6Confident181 Ų18195.3 Ų95.385%0.84653%0.528SS*.PPolyproline II helixtrans-53.5131.8174-72.2-174.8167.300109.8V1021V1021-E1023 PolarHBondContact O-N 3.05Å
1024P58.3Low72.7Confident72 Ų7296 Ų9647%0.46853%0.53SS..PPolyproline II helixtrans-60.9146.5178.723.8-31.3000109.9L1028P1024-L1028 HydrophobicContact CB-CB 4.32Å
1025P61.8Low72.9Confident85 Ų8595.4 Ų95.455%0.55253%0.527SS*.PPolyproline II helixtrans-47.7143.8171.7-2631000111.7D1027 L1028 D1029P1025-D1027 PolarHBondContact O-N 3.2Å; P1025-L1028 HydrophobicContact CG-CD1 4.26Å; P1025-L1028 PolarHBondContact O-N 2.97Å; P1025-D1029 PolarHBondContact O-N 2.92Å
1026A59.3Low73Confident86 Ų86103.5 Ų103.571%0.71156%0.562SS**THydrogen-bonded Turntrans-53.1-26.7-174.200000114.6
1027D60.6Low73.5Confident151 Ų15199.8 Ų99.881%0.80754%0.542SS*.THydrogen-bonded Turntrans-75.7-22.5178-63.1-32.5000113.6P1025P1025-D1027 PolarHBondContact O-N 3.2Å
1028L60.3Low74.1Confident97 Ų9795.8 Ų95.851%0.50852%0.519SS..THydrogen-bonded Turntrans-94.3-14.6179.1-69.1172.3000113.3P1024 P1025 R1030 L1031P1024-L1028 HydrophobicContact CB-CB 4.32Å; P1025-L1028 HydrophobicContact CG-CD1 4.26Å; P1025-L1028 PolarHBondContact O-N 2.97Å; L1028-R1030 PolarHBondContact O-N 3.4Å; L1028-L1031 HydrophobicContact CD2-CD1 3.77Å; L1028-L1031 PolarHBondContact O-N 3.17Å; L1028-L1031 VanDerWaalsContact O-N 3.16Å
1029D65.6Low74.7Confident74 Ų7497.1 Ų97.140%0.39652%0.521SS..THydrogen-bonded Turntrans-65-8.1178.6-170.136.8000113.5Y987 P1025Y987-D1029 WeakPolarHBondContact CE1-O 3.36Å; P1025-D1029 PolarHBondContact O-N 2.92Å
1030R73Confident75.8Confident181 Ų18190.5 Ų90.568%0.68349%0.491SS*.THydrogen-bonded Turntrans-102.63.2177.5-64.1-171.7-178.9-1782.2114.8L1028L1028-R1030 PolarHBondContact O-N 3.4Å
1031L83.2Confident77.2Confident110 Ų11087.2 Ų87.258%0.57647%0.466SS*.PPolyproline II helixtrans-98.7138.8177.7-62.1179.2000110.8T965 L1028T965-L1031 WeakPolarHBondContact CG2-O 3.22Å; L1028-L1031 HydrophobicContact CD2-CD1 3.77Å; L1028-L1031 PolarHBondContact O-N 3.17Å; L1028-L1031 VanDerWaalsContact O-N 3.16Å
1032I87.3Confident78.6Confident22 Ų2282.5 Ų82.511%0.11344%0.437CS..PPolyproline II helixtrans-79.4149.5169.361.5167.6000110.2F983 Y987 S989 W992 M1034F983-I1032 HydrophobicContact CB-CG2 4.1Å; F983-I1032 HydrophobicContact CD1-CG2 4.24Å; F983-I1032 HydrophobicContact CD2-CB 4.24Å; F983-I1032 HydrophobicContact CD2-CD1 4.12Å; F983-I1032 HydrophobicContact CD2-CG2 3.88Å; F983-I1032 HydrophobicContact CE2-CB 4.25Å; F983-I1032 HydrophobicContact CE2-CD1 4.16Å; F983-I1032 HydrophobicContact CE2-CG2 4.38Å; F983-I1032 HydrophobicContact CG-CG2 3.81Å; Y987-I1032 HydrophobicContact CD1-CG2 4.3Å; Y987-I1032 HydrophobicContact CD2-CG2 4.18Å; Y987-I1032 HydrophobicContact CG-CG2 3.85Å; S989-I1032 WeakPolarHBondContact OG-CD1 3.35Å; W992-I1032 HydrophobicContact CB-CD1 3.35Å; W992-I1032 HydrophobicContact CG-CD1 3.82Å; I1032-M1034 HydrophobicContact CD1-SD 4.44Å; I1032-M1034 HydrophobicContact CG1-SD 4.44Å; I1032-M1034 PolarHBondContact O-N 3.46Å
1033P87.4Confident80.3Confident41 Ų4177.4 Ų77.427%0.26641%0.41SS..PPolyproline II helixtrans-68.8134.6176.7-14.531.8000110T965 Y1035T965-P1033 HydrophobicContact CG2-CG 4.36Å; P1033-Y1035 HydrophobicContact CB-CE1 4.11Å; P1033-Y1035 HydrophobicContact CB-CE2 4.26Å
1034M90.3Very high82.1Confident104 Ų10470.6 Ų70.651%0.51238%0.379SS..  trans-103114.3175.7-68-57.8-60.200110.2W992 F997 I1032W992-M1034 HydrophobicContact CE3-CE 4.26Å; W992-M1034 HydrophobicContact CH2-CE 3.66Å; W992-M1034 HydrophobicContact CZ2-CE 3.98Å; W992-M1034 HydrophobicContact CZ3-CE 3.82Å; F997-M1034 HydrophobicContact CE1-CE 4.04Å; F997-M1034 HydrophobicContact CZ-CE 4.16Å; F997-M1034 HydrophobicContact CZ-SD 4.19Å; I1032-M1034 HydrophobicContact CD1-SD 4.44Å; I1032-M1034 HydrophobicContact CG1-SD 4.44Å; I1032-M1034 PolarHBondContact O-N 3.46Å
1035Y91.9Very high83.8Confident16 Ų1667.1 Ų67.16%0.06336%0.357CS..  trans-89.9144.2-179.2-50.9-76.3000110.9F967 F997 E1001 I1002 Q1005 P1033F967-Y1035 WeakPolarHBondContact CZ-OH 3.34Å; F997-Y1035 HydrophobicContact CB-CD2 4.15Å; F997-Y1035 AromaticContact CD1-CD2 3.74Å; F997-Y1035 HydrophobicContact CD1-CD2 3.74Å; F997-Y1035 HydrophobicContact CD1-CG 4.2Å; F997-Y1035 AromaticContact CD2-CD2 3.7Å; F997-Y1035 HydrophobicContact CD2-CD2 3.7Å; F997-Y1035 HydrophobicContact CD2-CE2 4.26Å; F997-Y1035 AromaticContact CE1-CD2 3.96Å; F997-Y1035 HydrophobicContact CE1-CD2 3.96Å; F997-Y1035 AromaticContact CE2-CD2 3.93Å; F997-Y1035 HydrophobicContact CE2-CD2 3.93Å; F997-Y1035 HydrophobicContact CE2-CE2 4.36Å; F997-Y1035 AromaticContact CG-CD2 3.59Å; F997-Y1035 HydrophobicContact CG-CD2 3.59Å; F997-Y1035 HydrophobicContact CG-CG 4.29Å; F997-Y1035 HydrophobicContact CZ-CD2 4.04Å; E1001-Y1035 HydrophobicContact CG-CD1 4.42Å; E1001-Y1035 WeakPolarHBondContact OE2-CB 3.35Å; I1002-Y1035 HydrophobicContact CD1-CD1 4.09Å; I1002-Y1035 HydrophobicContact CD1-CD2 3.34Å; I1002-Y1035 HydrophobicContact CD1-CE1 4.01Å; I1002-Y1035 HydrophobicContact CD1-CE2 3.22Å; I1002-Y1035 HydrophobicContact CD1-CG 3.76Å; Q1005-Y1035 HydrophobicContact CB-CE1 3.95Å; Q1005-Y1035 HydrophobicContact CG-CD1 3.93Å; Q1005-Y1035 HydrophobicContact CG-CE1 3.73Å; P1033-Y1035 HydrophobicContact CB-CE1 4.11Å; P1033-Y1035 HydrophobicContact CB-CE2 4.26Å
1036K90.9Very high85.4Confident180 Ų18063.1 Ų63.178%0.78333%0.331SS*.  trans-107.3-14.5-167.3-66.7-178.3-1781750113.8E1001E1001-K1036 PolarHBondContact OE1-N 2.78Å; E1001-K1036 PolarHBondContact OE2-N 2.7Å
1037G92.5Very high87Confident23 Ų2360.5 Ų60.524%0.23731%0.312CS..SBendtrans-61.7138.8178.600000111.6E1001 P1057E1001-G1037 VanDerWaalsContact CD-N 3.33Å; E1001-G1037 PolarHBondContact OE1-N 2.89Å; E1001-G1037 WeakPolarHBondContact OE2-CA 3.49Å; E1001-G1037 PolarHBondContact OE2-N 3.4Å; G1037-P1057 VanDerWaalsContact O-CD 3.31Å; G1037-P1057 WeakPolarHBondContact O-CD 3.22Å; G1037-P1057 WeakPolarHBondContact O-CG 3.39Å
1038A94.7Very high88.6Confident12 Ų1256 Ų5610%0.09929%0.292CS..PPolyproline II helixtrans-64.2143.7-179.700000111.6I1040 I1054 A1055 F1117A1038-I1040 HydrophobicContact CB-CG1 4.18Å; A1038-I1054 HydrophobicContact CB-CG2 3.59Å; A1038-A1055 WeakPolarHBondContact CA-O 3.21Å; A1038-F1117 HydrophobicContact CB-CD1 3.69Å; A1038-F1117 HydrophobicContact CB-CD2 4.09Å; A1038-F1117 HydrophobicContact CB-CE1 3.7Å; A1038-F1117 HydrophobicContact CB-CE2 4.1Å; A1038-F1117 HydrophobicContact CB-CG 3.88Å; A1038-F1117 HydrophobicContact CB-CZ 3.91Å
1039K95.1Very high90.3Very high92 Ų9251.7 Ų51.740%0.427%0.269SS..EExtended strand (participates in β ladder)trans-86.3124.9164.5-170.7169.7179.1175.40108.2S995 A1055S995-K1039 PolarHBondContact O-NZ 3.1Å; K1039-A1055 PolarHBondContact N-O 2.77Å; K1039-A1055 PolarHBondContact O-N 3.29Å
1040I95.8Very high91.7Very high29 Ų2950.7 Ų50.715%0.14926%0.262CS..EExtended strand (participates in β ladder)trans-121.7140.6-171.5-53.5167.2000109D720 H721 A1038 L1052 H1053 I1054 I1114D720-I1040 WeakPolarHBondContact CA-O 3.41Å; H721-I1040 HydrophobicContact CB-CG2 4.09Å; A1038-I1040 HydrophobicContact CB-CG1 4.18Å; I1040-L1052 HydrophobicContact CG2-CD1 3.7Å; I1040-H1053 CarbonylContact C-O 3.55Å; I1040-H1053 WeakPolarHBondContact CA-O 3.45Å; I1040-I1054 HydrophobicContact CG1-CG1 4.36Å; I1040-I1054 HydrophobicContact CG1-CG2 4.27Å; I1040-I1054 HydrophobicContact CG2-CG1 4.26Å; I1040-I1114 HydrophobicContact CD1-CD1 3.87Å; I1040-I1114 HydrophobicContact CD1-CG1 3.92Å; I1040-I1114 HydrophobicContact CD1-CG2 3.74Å
1041Q94.4Very high92.9Very high49 Ų4942.4 Ų42.423%0.22923%0.231CC..EExtended strand (participates in β ladder)trans-140.4125.6175.1-176.7178.9-31.200108.4S719 I844 C876 Y1051 L1052 H1053S719-Q1041 CarbonylContact O-C 3.55Å; I844-Q1041 HydrophobicContact CG1-CG 4.31Å; I844-Q1041 HydrophobicContact CG2-CG 4.16Å; C876-Q1041 PolarHBondContact O-NE2 3.11Å; C876-Q1041 VanDerWaalsContact O-NE2 3.1Å; Q1041-Y1051 HydrophobicContact CG-CE1 4.32Å; Q1041-L1052 CarbonylContact O-C 3.58Å; Q1041-H1053 PolarHBondContact N-O 2.83Å; Q1041-H1053 PolarHBondContact O-N 2.92Å
1042G94.2Very high93.6Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-144.1169.1-179.900000111.9A718 S719 Y1051A718-G1042 CarbonylContact C-O 3.58Å; A718-G1042 WeakPolarHBondContact CA-O 3.48Å; A718-G1042 VanDerWaalsContact CB-O 3.3Å; A718-G1042 WeakPolarHBondContact CB-O 3.21Å; S719-G1042 PolarHBondContact N-O 3.22Å; S719-G1042 PolarHBondContact O-N 3.39Å; G1042-Y1051 WeakPolarHBondContact CA-O 3.34Å
1043G92.9Very high94Very high21 Ų2138.1 Ų38.122%0.21621%0.207CC..EExtended strand (participates in β ladder)trans160.3-178.1-178.700000111.8Y1051G1043-Y1051 PolarHBondContact N-O 2.85Å; G1043-Y1051 VanDerWaalsContact N-O 3.12Å; G1043-Y1051 PolarHBondContact O-N 3.16Å
1044I94.3Very high94.5Very high37 Ų3736.2 Ų36.219%0.1920%0.195CC..EExtended strand (participates in β ladder)trans-105.8117.3173.3-49.3-180000107.7K715 T848 E851 Y1049K715-I1044 HydrophobicContact CD-CD1 4.24Å; K715-I1044 HydrophobicContact CG-CD1 4.29Å; T848-I1044 WeakPolarHBondContact CA-O 3.47Å; E851-I1044 HydrophobicContact CG-CB 4.34Å; E851-I1044 HydrophobicContact CG-CG2 3.8Å; I1044-Y1049 CarbonylContact C-O 3.54Å; I1044-Y1049 WeakPolarHBondContact CA-O 3.17Å
1045L95.5Very high94.8Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-96161.2-178.6-57.4-175.1000111.2I844 T848 I877 V886 G1047 S1048 Y1049 Y1051 L1103I844-L1045 HydrophobicContact CD1-CD1 4.34Å; I844-L1045 HydrophobicContact CD1-CD2 3.58Å; I844-L1045 HydrophobicContact CG1-CD2 4.15Å; T848-L1045 HydrophobicContact CG2-CD2 4.04Å; I877-L1045 HydrophobicContact CD1-CD1 4.44Å; V886-L1045 HydrophobicContact CG2-CB 4.11Å; V886-L1045 HydrophobicContact CG2-CD1 3.92Å; L1045-G1047 PolarHBondContact O-N 2.8Å; L1045-S1048 PolarHBondContact O-N 3.05Å; L1045-Y1049 PolarHBondContact N-O 3.05Å; L1045-Y1049 PolarHBondContact O-N 3.07Å; L1045-Y1051 HydrophobicContact CD1-CD1 4.1Å; L1045-Y1051 HydrophobicContact CD1-CD2 3.94Å; L1045-Y1051 HydrophobicContact CD1-CG 3.62Å; L1045-Y1051 HydrophobicContact CG-CG 4.21Å; L1045-L1103 HydrophobicContact CD1-CD1 4.08Å
1046P95.4Very high94.9Very high1 Ų135.4 Ų35.41%0.00619%0.192CC..THydrogen-bonded Turntrans-46.9129.8179.9-32.836.9000113.7Y847 V850 E851 V886 A889 L890 Y1049Y847-P1046 HydrophobicContact CD1-CG 4.3Å; Y847-P1046 WeakPolarHBondContact O-CD 3.3Å; V850-P1046 HydrophobicContact CG1-CG 4.44Å; E851-P1046 WeakPolarHBondContact OE2-CA 3.38Å; V886-P1046 HydrophobicContact CG1-CB 4.29Å; V886-P1046 HydrophobicContact CG1-CG 4.05Å; A889-P1046 HydrophobicContact CB-CB 4.48Å; A889-P1046 WeakPolarHBondContact CB-O 3.43Å; L890-P1046 HydrophobicContact CD1-CG 4.43Å; L890-P1046 HydrophobicContact CD2-CB 3.63Å; L890-P1046 HydrophobicContact CD2-CG 3.57Å; L890-P1046 HydrophobicContact CG-CB 3.73Å; L890-P1046 HydrophobicContact CG-CG 3.9Å; P1046-Y1049 WeakPolarHBondContact O-CD2 3.36Å
1047G92.8Very high95Very high31 Ų3127.6 Ų27.632%0.3216%0.16SC..THydrogen-bonded Turntrans94.318-172.200000113.2E851 L1045 Y1049E851-G1047 PolarHBondContact OE2-N 2.99Å; L1045-G1047 PolarHBondContact O-N 2.8Å; G1047-Y1049 PolarHBondContact O-N 3.16Å
1048S93.3Very high95Very high55 Ų5528.3 Ų28.339%0.38516%0.163SC..THydrogen-bonded Turntrans54.836.4-177.1-50.30000113.2E851 L1045E851-S1048 WeakPolarHBondContact OE1-CA 3.45Å; E851-S1048 WeakPolarHBondContact OE1-CB 3.38Å; E851-S1048 PolarHBondContact OE1-N 3.13Å; E851-S1048 PolarHBondContact OE1-OG 3.07Å; E851-S1048 PolarHBondContact OE2-N 3.48Å; L1045-S1048 PolarHBondContact O-N 3.05Å
1049Y95.9Very high94.8Very high8 Ų830 Ų303%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-83.7118.2176.6-65.4-64.5000110.8A889 I1044 L1045 P1046 G1047 Y1051 K1082 G1084 L1103 S1104 R1105A889-Y1049 HydrophobicContact CB-CE2 3.97Å; I1044-Y1049 CarbonylContact C-O 3.54Å; I1044-Y1049 WeakPolarHBondContact CA-O 3.17Å; L1045-Y1049 PolarHBondContact N-O 3.05Å; L1045-Y1049 PolarHBondContact O-N 3.07Å; P1046-Y1049 WeakPolarHBondContact O-CD2 3.36Å; G1047-Y1049 PolarHBondContact O-N 3.16Å; Y1049-Y1051 PolarHBondContact O-N 2.87Å; Y1049-K1082 PolarHBondContact OH-O 2.94Å; Y1049-G1084 VanDerWaalsContact CE1-CA 3.46Å; Y1049-L1103 HydrophobicContact CD1-CD2 4.41Å; Y1049-L1103 HydrophobicContact CD1-CG 4.2Å; Y1049-L1103 HydrophobicContact CD2-CD2 4.43Å; Y1049-L1103 HydrophobicContact CG-CD1 4.1Å; Y1049-L1103 HydrophobicContact CG-CD2 4.24Å; Y1049-L1103 HydrophobicContact CG-CG 4.02Å; Y1049-S1104 CarbonylContact C-O 3.48Å; Y1049-S1104 WeakPolarHBondContact CA-O 3.22Å; Y1049-R1105 HydrophobicContact CD1-CG 3.73Å; Y1049-R1105 HydrophobicContact CE1-CG 3.61Å; Y1049-R1105 PolarHBondContact OH-NH2 2.92Å
1050H95.6Very high94.4Very high53 Ų5329.7 Ų29.725%0.24518%0.177CC..EExtended strand (participates in β ladder)trans-66.9117.8164.3-63.9-81.9000109.8L1103 S1104 F1108H1050-L1103 WeakPolarHBondContact O-CA 3.28Å; H1050-S1104 PolarHBondContact N-O 3.03Å; H1050-S1104 PolarHBondContact O-N 2.89Å; H1050-F1108 HydrophobicContact CB-CD1 4.2Å; H1050-F1108 HydrophobicContact CB-CE1 3.63Å; H1050-F1108 HydrophobicContact CB-CZ 4.22Å; H1050-F1108 WeakPolarHBondContact O-CE1 3.44Å
1051Y97.1Very high94.1Very high6 Ų630.4 Ų30.42%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-112.6138.3-179176.3-108.9000111.1I844 V882 Q1041 G1042 G1043 L1045 Y1049 H1053 T1101 C1102 L1103I844-Y1051 HydrophobicContact CD1-CD1 4.34Å; I844-Y1051 HydrophobicContact CD1-CE1 4.16Å; V882-Y1051 HydrophobicContact CG1-CD2 4.26Å; V882-Y1051 HydrophobicContact CG1-CE2 4.06Å; Q1041-Y1051 HydrophobicContact CG-CE1 4.32Å; G1042-Y1051 WeakPolarHBondContact CA-O 3.34Å; G1043-Y1051 PolarHBondContact N-O 2.85Å; G1043-Y1051 VanDerWaalsContact N-O 3.12Å; G1043-Y1051 PolarHBondContact O-N 3.16Å; L1045-Y1051 HydrophobicContact CD1-CD1 4.1Å; L1045-Y1051 HydrophobicContact CD1-CD2 3.94Å; L1045-Y1051 HydrophobicContact CD1-CG 3.62Å; L1045-Y1051 HydrophobicContact CG-CG 4.21Å; Y1049-Y1051 PolarHBondContact O-N 2.87Å; Y1051-H1053 HydrophobicContact CE1-CB 3.92Å; Y1051-H1053 HydrophobicContact CE2-CB 4.31Å; Y1051-H1053 VanDerWaalsContact OH-CB 3.29Å; Y1051-H1053 WeakPolarHBondContact OH-CB 3.5Å; Y1051-T1101 HydrophobicContact CE2-CG2 3.96Å; Y1051-C1102 WeakPolarHBondContact CA-O 3.39Å; Y1051-C1102 WeakPolarHBondContact CD2-O 3.41Å; Y1051-L1103 HydrophobicContact CD2-CD1 4.01Å
1052L97.6Very high94Very high1 Ų129.9 Ų29.91%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-144126.4170.8175.368.2000109.2I1040 Q1041 I1054 T1101 C1102 F1108 A1110 Y1113I1040-L1052 HydrophobicContact CG2-CD1 3.7Å; Q1041-L1052 CarbonylContact O-C 3.58Å; L1052-I1054 HydrophobicContact CD1-CD1 4.43Å; L1052-I1054 HydrophobicContact CD1-CG1 4.07Å; L1052-I1054 HydrophobicContact CD2-CD1 3.85Å; L1052-I1054 HydrophobicContact CD2-CG1 4.35Å; L1052-I1054 HydrophobicContact CG-CD1 4.09Å; L1052-I1054 HydrophobicContact CG-CG1 4.05Å; L1052-T1101 CarbonylContact O-C 3.52Å; L1052-T1101 WeakPolarHBondContact O-CA 3.28Å; L1052-C1102 HydrophobicContact CB-CB 4.21Å; L1052-C1102 PolarHBondContact N-O 3.04Å; L1052-C1102 PolarHBondContact O-N 3.47Å; L1052-F1108 HydrophobicContact CB-CE2 3.61Å; L1052-F1108 HydrophobicContact CB-CZ 3.71Å; L1052-F1108 HydrophobicContact CD2-CE2 3.84Å; L1052-F1108 HydrophobicContact CG-CE2 4.38Å; L1052-A1110 HydrophobicContact CD1-CB 4.43Å; L1052-A1110 HydrophobicContact CD2-CB 3.91Å; L1052-Y1113 HydrophobicContact CD2-CD2 4.38Å
1053H97.6Very high93.9Very high42 Ų4231 Ų3119%0.19419%0.19CC..EExtended strand (participates in β ladder)trans-126.3125.1173-177.975.6000109.2I1040 Q1041 Y1051 T1099 I1100 T1101I1040-H1053 CarbonylContact C-O 3.55Å; I1040-H1053 WeakPolarHBondContact CA-O 3.45Å; Q1041-H1053 PolarHBondContact N-O 2.83Å; Q1041-H1053 PolarHBondContact O-N 2.92Å; Y1051-H1053 HydrophobicContact CE1-CB 3.92Å; Y1051-H1053 HydrophobicContact CE2-CB 4.31Å; Y1051-H1053 VanDerWaalsContact OH-CB 3.29Å; Y1051-H1053 WeakPolarHBondContact OH-CB 3.5Å; H1053-T1099 VanDerWaalsContact CE1-CG2 3.48Å; H1053-T1099 WeakPolarHBondContact CE1-CG2 3.46Å; H1053-I1100 WeakPolarHBondContact CA-O 3.44Å; H1053-T1101 PolarHBondContact ND1-OG1 2.96Å
1054I97.5Very high93.7Very high0 Ų037.1 Ų37.10%021%0.213CC..EExtended strand (participates in β ladder)trans-123.7123.5179.7-56.5156.1000106.3A1038 I1040 L1052 T1099 I1100 I1114 F1117A1038-I1054 HydrophobicContact CB-CG2 3.59Å; I1040-I1054 HydrophobicContact CG1-CG1 4.36Å; I1040-I1054 HydrophobicContact CG1-CG2 4.27Å; I1040-I1054 HydrophobicContact CG2-CG1 4.26Å; L1052-I1054 HydrophobicContact CD1-CD1 4.43Å; L1052-I1054 HydrophobicContact CD1-CG1 4.07Å; L1052-I1054 HydrophobicContact CD2-CD1 3.85Å; L1052-I1054 HydrophobicContact CD2-CG1 4.35Å; L1052-I1054 HydrophobicContact CG-CD1 4.09Å; L1052-I1054 HydrophobicContact CG-CG1 4.05Å; I1054-T1099 CarbonylContact O-C 3.48Å; I1054-T1099 WeakPolarHBondContact O-CA 3.1Å; I1054-T1099 WeakPolarHBondContact O-CG2 3.37Å; I1054-I1100 HydrophobicContact CB-CB 4.21Å; I1054-I1100 HydrophobicContact CD1-CB 4.1Å; I1054-I1100 HydrophobicContact CD1-CD1 4.08Å; I1054-I1100 HydrophobicContact CD1-CG2 4.43Å; I1054-I1100 PolarHBondContact N-O 2.81Å; I1054-I1100 PolarHBondContact O-N 2.98Å; I1054-I1114 HydrophobicContact CD1-CB 4.36Å; I1054-I1114 HydrophobicContact CD1-CG1 3.83Å; I1054-I1114 HydrophobicContact CG1-CG1 4.19Å; I1054-F1117 HydrophobicContact CG2-CB 3.84Å; I1054-F1117 HydrophobicContact CG2-CD2 3.83Å; I1054-F1117 HydrophobicContact CG2-CG 3.96Å
1055A95.2Very high93.6Very high17 Ų1739 Ų3914%0.1423%0.226CC..EExtended strand (participates in β ladder)trans-138.1155-178.800000111.4A1038 K1039 T1099A1038-A1055 WeakPolarHBondContact CA-O 3.21Å; K1039-A1055 PolarHBondContact N-O 2.77Å; K1039-A1055 PolarHBondContact O-N 3.29Å; A1055-T1099 HydrophobicContact CB-CG2 4.16Å
1056K94.6Very high93.3Very high86 Ų8641.1 Ų41.137%0.37424%0.236SC..  trans-60.6147.2166.462.3164.1168.2-164.90110.5A1058 E1098 F1117K1056-A1058 PolarHBondContact O-N 2.91Å; K1056-E1098 HydrophobicContact CB-CG 4.1Å; K1056-E1098 VanDerWaalsContact CD-CD 3.46Å; K1056-E1098 HydrophobicContact CD-CG 3.57Å; K1056-E1098 WeakPolarHBondContact CD-OE1 3.37Å; K1056-E1098 WeakPolarHBondContact CE-OE1 3.42Å; K1056-E1098 WeakPolarHBondContact CE-OE2 3.32Å; K1056-E1098 HydrophobicContact CG-CG 3.67Å; K1056-E1098 PolarHBondContact N-O 3.35Å; K1056-E1098 IonicContact NZ-OE1 3.56Å; K1056-E1098 PolarHBondContact NZ-OE1 2.92Å; K1056-E1098 IonicContact NZ-OE2 3.09Å; K1056-E1098 PolarHBondContact NZ-OE2 2.7Å; K1056-E1098 VanDerWaalsContact NZ-OE2 3.08Å; K1056-F1117 HydrophobicContact CB-CE2 4.2Å; K1056-F1117 HydrophobicContact CB-CZ 4.12Å
1057P93.9Very high93.1Very high17 Ų1745 Ų4511%0.1126%0.255CS..SBendtrans-53.7127.3166.3-27.737.4000111N996 F997 G1037N996-P1057 WeakPolarHBondContact O-CB 3.48Å; F997-P1057 HydrophobicContact CD1-CB 3.46Å; F997-P1057 VanDerWaalsContact CD1-CB 3.46Å; F997-P1057 HydrophobicContact CD1-CG 3.95Å; F997-P1057 HydrophobicContact CE1-CB 3.83Å; F997-P1057 HydrophobicContact CG-CB 4.44Å; G1037-P1057 VanDerWaalsContact O-CD 3.31Å; G1037-P1057 WeakPolarHBondContact O-CD 3.22Å; G1037-P1057 WeakPolarHBondContact O-CG 3.39Å
1058A91.4Very high93.1Very high37 Ų3747.4 Ų47.431%0.30627%0.272SS..  trans-156.8160.4-177.300000111.2N996 K1056N996-A1058 PolarHBondContact ND2-O 2.75Å; K1056-A1058 PolarHBondContact O-N 2.91Å
1059I90.4Very high92.9Very high49 Ų4949 Ų4925%0.25127%0.273SS..  trans-71.7129.4162.4-64.3156.5000107.5E991 W992 T1061E991-I1059 HydrophobicContact CB-CD1 3.94Å; E991-I1059 HydrophobicContact CB-CG1 4.14Å; E991-I1059 VanDerWaalsContact OE2-CD1 3.29Å; E991-I1059 WeakPolarHBondContact OE2-CD1 3.12Å; W992-I1059 HydrophobicContact CD2-CD1 4.38Å; W992-I1059 HydrophobicContact CD2-CG1 4.2Å; W992-I1059 HydrophobicContact CZ2-CD1 4.07Å; W992-I1059 HydrophobicContact CZ2-CG1 4.06Å; W992-I1059 VanDerWaalsContact NE1-CD1 3.33Å; I1059-T1061 PolarHBondContact O-N 3.04Å; I1059-T1061 PolarHBondContact O-OG1 3.36Å
1060P86.6Confident92.5Very high84 Ų8455.4 Ų55.455%0.54532%0.316SS..  trans-52.5123.9-179.5-27.335.2000111.7I874I874-P1060 HydrophobicContact CD1-CB 3.68Å; I874-P1060 WeakPolarHBondContact CD1-O 3.33Å
1061T90.3Very high92.2Very high44 Ų4456.4 Ų56.427%0.2732%0.323SS..  trans-134.9139.4176-54.40000108.5N878 I1059 L1063 V1065 Q1066N878-T1061 PolarHBondContact ND2-O 3.27Å; I1059-T1061 PolarHBondContact O-N 3.04Å; I1059-T1061 PolarHBondContact O-OG1 3.36Å; T1061-L1063 PolarHBondContact O-N 2.97Å; T1061-V1065 HydrophobicContact CG2-CB 4.13Å; T1061-V1065 HydrophobicContact CG2-CG1 3.92Å; T1061-Q1066 HydrophobicContact CG2-CG 3.97Å; T1061-Q1066 PolarHBondContact O-NE2 2.77Å
1062P91.9Very high91.9Very high39 Ų3957 Ų5725%0.25333%0.326SS..  trans-55.9137178-21.330.4000111.5I874 E1064 V1065 Q1066I874-P1062 HydrophobicContact CD1-CG 4.36Å; I874-P1062 HydrophobicContact CG1-CB 4.46Å; I874-P1062 HydrophobicContact CG1-CG 3.75Å; P1062-E1064 VanDerWaalsContact C-N 3.29Å; P1062-E1064 PolarHBondContact O-N 3.46Å; P1062-V1065 HydrophobicContact CB-CB 4.31Å; P1062-V1065 HydrophobicContact CB-CG2 3.99Å; P1062-V1065 HydrophobicContact CG-CG2 4.09Å; P1062-V1065 WeakPolarHBondContact O-CB 3.21Å; P1062-V1065 PolarHBondContact O-N 3.01Å; P1062-Q1066 PolarHBondContact O-N 3.15Å
1063L91.3Very high91.6Very high23 Ų2359.2 Ų59.212%0.1235%0.348CS..Hα-helixtrans-58-41.3-175.6178.561.2000112.3N878 N879 T1061 V1065 Q1066 M1067 Y1072N878-L1063 PolarHBondContact ND2-N 3.1Å; N878-L1063 VanDerWaalsContact O-CB 3.3Å; N878-L1063 WeakPolarHBondContact O-CB 3.33Å; N878-L1063 WeakPolarHBondContact O-CD2 3.46Å; N878-L1063 PolarHBondContact OD1-N 3.24Å; N879-L1063 HydrophobicContact CB-CD2 4.36Å; T1061-L1063 PolarHBondContact O-N 2.97Å; L1063-V1065 VanDerWaalsContact C-N 3.27Å; L1063-V1065 PolarHBondContact O-N 3.24Å; L1063-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1063-Q1066 PolarHBondContact O-N 3.49Å; L1063-Q1066 VanDerWaalsContact O-N 3.09Å; L1063-M1067 HydrophobicContact CD1-CG 4.21Å; L1063-M1067 HydrophobicContact CD1-SD 4.37Å; L1063-M1067 HydrophobicContact CD2-SD 4.44Å; L1063-M1067 HydrophobicContact CG-CG 4.31Å; L1063-M1067 HydrophobicContact CG-SD 3.93Å; L1063-M1067 VanDerWaalsContact O-CG 3.3Å; L1063-M1067 WeakPolarHBondContact O-CG 3.12Å; L1063-M1067 PolarHBondContact O-N 3.18Å; L1063-Y1072 WeakPolarHBondContact CD1-OH 3.26Å
1064E90.2Very high91.4Very high150 Ų15060 Ų6070%0.70135%0.353SS*.Hα-helixtrans-58.7-39.4176.8-63.5-179.7176.200112.3P1062 M1067 A1068P1062-E1064 VanDerWaalsContact C-N 3.29Å; P1062-E1064 PolarHBondContact O-N 3.46Å; E1064-M1067 PolarHBondContact O-N 3.12Å; E1064-A1068 WeakPolarHBondContact O-CB 3.47Å; E1064-A1068 PolarHBondContact O-N 3.48Å
1065V91Very high91.3Very high76 Ų7662.9 Ų62.946%0.46137%0.367SS..Hα-helixtrans-68.2-39.3176.7175.70000110.5T1061 P1062 L1063 A1068 Q1069T1061-V1065 HydrophobicContact CG2-CB 4.13Å; T1061-V1065 HydrophobicContact CG2-CG1 3.92Å; P1062-V1065 HydrophobicContact CB-CB 4.31Å; P1062-V1065 HydrophobicContact CB-CG2 3.99Å; P1062-V1065 HydrophobicContact CG-CG2 4.09Å; P1062-V1065 WeakPolarHBondContact O-CB 3.21Å; P1062-V1065 PolarHBondContact O-N 3.01Å; L1063-V1065 VanDerWaalsContact C-N 3.27Å; L1063-V1065 PolarHBondContact O-N 3.24Å; V1065-A1068 PolarHBondContact O-N 3.28Å; V1065-Q1069 WeakPolarHBondContact O-CG 3.25Å
1066Q90.4Very high91.3Very high44 Ų4462.1 Ų62.121%0.20636%0.36CS..Hα-helixtrans-62.9-46.9174.6-60.3179.520.600110.8T1061 P1062 L1063 A1068 Q1069 Y1072T1061-Q1066 HydrophobicContact CG2-CG 3.97Å; T1061-Q1066 PolarHBondContact O-NE2 2.77Å; P1062-Q1066 PolarHBondContact O-N 3.15Å; L1063-Q1066 WeakPolarHBondContact O-CB 3.48Å; L1063-Q1066 PolarHBondContact O-N 3.49Å; L1063-Q1066 VanDerWaalsContact O-N 3.09Å; Q1066-A1068 PolarHBondContact O-N 2.88Å; Q1066-Q1069 WeakPolarHBondContact O-CB 3.44Å; Q1066-Q1069 WeakPolarHBondContact O-CG 3.42Å; Q1066-Q1069 PolarHBondContact O-N 2.97Å; Q1066-Y1072 HydrophobicContact CB-CD2 4.05Å; Q1066-Y1072 HydrophobicContact CB-CE2 3.7Å; Q1066-Y1072 WeakPolarHBondContact O-CD2 3.23Å
1067M90.6Very high91.4Very high82 Ų8260 Ų6040%0.40435%0.354SS..Hα-helixtrans-61.4-31.4179.3-69.2173.275.900112.7L1063 E1064 Q1069 Y1072L1063-M1067 HydrophobicContact CD1-CG 4.21Å; L1063-M1067 HydrophobicContact CD1-SD 4.37Å; L1063-M1067 HydrophobicContact CD2-SD 4.44Å; L1063-M1067 HydrophobicContact CG-CG 4.31Å; L1063-M1067 HydrophobicContact CG-SD 3.93Å; L1063-M1067 VanDerWaalsContact O-CG 3.3Å; L1063-M1067 WeakPolarHBondContact O-CG 3.12Å; L1063-M1067 PolarHBondContact O-N 3.18Å; E1064-M1067 PolarHBondContact O-N 3.12Å; M1067-Q1069 PolarHBondContact O-N 3.04Å; M1067-Y1072 HydrophobicContact CB-CD1 4.44Å; M1067-Y1072 HydrophobicContact CB-CE1 4.25Å; M1067-Y1072 HydrophobicContact CG-CD1 4.31Å; M1067-Y1072 HydrophobicContact CG-CE1 3.64Å; M1067-Y1072 HydrophobicContact CG-CE2 4.17Å
1068A91.8Very high91.5Very high83 Ų8359.5 Ų59.569%0.68635%0.351SS*.THydrogen-bonded Turntrans-73.4-12.5176.600000113.8E1064 V1065 Q1066E1064-A1068 WeakPolarHBondContact O-CB 3.47Å; E1064-A1068 PolarHBondContact O-N 3.48Å; V1065-A1068 PolarHBondContact O-N 3.28Å; Q1066-A1068 PolarHBondContact O-N 2.88Å
1069Q90.8Very high91.7Very high87 Ų8760 Ų6041%0.40736%0.36SS..SBendtrans-72.6138.7-179.7-58.8-174.5-8.900111.4V1065 Q1066 M1067 N1071 Y1072V1065-Q1069 WeakPolarHBondContact O-CG 3.25Å; Q1066-Q1069 WeakPolarHBondContact O-CB 3.44Å; Q1066-Q1069 WeakPolarHBondContact O-CG 3.42Å; Q1066-Q1069 PolarHBondContact O-N 2.97Å; M1067-Q1069 PolarHBondContact O-N 3.04Å; Q1069-N1071 VanDerWaalsContact CB-OD1 3.24Å; Q1069-N1071 WeakPolarHBondContact CB-OD1 3.2Å; Q1069-N1071 PolarHBondContact O-N 3.32Å; Q1069-N1071 VanDerWaalsContact O-N 3.14Å; Q1069-N1071 PolarHBondContact OE1-OD1 2.96Å; Q1069-Y1072 VanDerWaalsContact O-CB 3.24Å; Q1069-Y1072 WeakPolarHBondContact O-CB 3.41Å; Q1069-Y1072 PolarHBondContact O-N 3.47Å
1070P87.3Confident91.9Very high143 Ų14361.2 Ų61.293%0.92937%0.367SS*.THydrogen-bonded Turntrans-65.3-22.1-177.426.2-34.9000113.4
1071N88.9Confident92.2Very high74 Ų7457.4 Ų57.440%0.39634%0.343SS..THydrogen-bonded Turntrans-95.18.3178.262.4-21.2000113.5Q1069 G1073 K1093Q1069-N1071 VanDerWaalsContact CB-OD1 3.24Å; Q1069-N1071 WeakPolarHBondContact CB-OD1 3.2Å; Q1069-N1071 PolarHBondContact O-N 3.32Å; Q1069-N1071 VanDerWaalsContact O-N 3.14Å; Q1069-N1071 PolarHBondContact OE1-OD1 2.96Å; N1071-G1073 VanDerWaalsContact C-N 3.32Å; N1071-G1073 PolarHBondContact O-N 2.69Å; N1071-K1093 HydrophobicContact CB-CD 3.87Å; N1071-K1093 HydrophobicContact CB-CG 4.46Å
1072Y90.2Very high92.3Very high20 Ų2060 Ų608%0.07835%0.35CS..  trans-59.2-41.2-176.5-171.7-110.6000112.7L1063 Q1066 M1067 Q1069 R1088 H1090 N1092L1063-Y1072 WeakPolarHBondContact CD1-OH 3.26Å; Q1066-Y1072 HydrophobicContact CB-CD2 4.05Å; Q1066-Y1072 HydrophobicContact CB-CE2 3.7Å; Q1066-Y1072 WeakPolarHBondContact O-CD2 3.23Å; M1067-Y1072 HydrophobicContact CB-CD1 4.44Å; M1067-Y1072 HydrophobicContact CB-CE1 4.25Å; M1067-Y1072 HydrophobicContact CG-CD1 4.31Å; M1067-Y1072 HydrophobicContact CG-CE1 3.64Å; M1067-Y1072 HydrophobicContact CG-CE2 4.17Å; Q1069-Y1072 VanDerWaalsContact O-CB 3.24Å; Q1069-Y1072 WeakPolarHBondContact O-CB 3.41Å; Q1069-Y1072 PolarHBondContact O-N 3.47Å; Y1072-R1088 PolarHBondContact OH-NH2 2.51Å; Y1072-H1090 AromaticContact CD1-CD2 3.97Å; Y1072-H1090 AromaticContact CD1-NE2 3.71Å; Y1072-H1090 AromaticContact CD2-CE1 3.89Å; Y1072-H1090 AromaticContact CD2-NE2 3.62Å; Y1072-H1090 AromaticContact CE1-CD2 3.43Å; Y1072-H1090 VanDerWaalsContact CE1-CD2 3.43Å; Y1072-H1090 WeakPolarHBondContact CE1-CD2 3.32Å; Y1072-H1090 AromaticContact CE1-NE2 3.51Å; Y1072-H1090 AromaticContact CE2-CE1 3.47Å; Y1072-H1090 VanDerWaalsContact CE2-CE1 3.47Å; Y1072-H1090 WeakPolarHBondContact CE2-CE1 3.39Å; Y1072-H1090 AromaticContact CE2-NE2 3.44Å; Y1072-H1090 WeakPolarHBondContact CE2-NE2 3.36Å; Y1072-H1090 AromaticContact CG-NE2 3.77Å; Y1072-H1090 AromaticContact CZ-CD2 3.48Å; Y1072-H1090 VanDerWaalsContact CZ-CD2 3.48Å; Y1072-H1090 AromaticContact CZ-CE1 3.69Å; Y1072-H1090 AromaticContact CZ-CG 3.84Å; Y1072-H1090 AromaticContact CZ-ND1 3.97Å; Y1072-H1090 AromaticContact CZ-NE2 3.38Å; Y1072-H1090 PolarHBondContact O-NE2 2.91Å; Y1072-N1092 WeakPolarHBondContact O-CA 3.37Å
1073G92.4Very high92.4Very high46 Ų4663.3 Ų63.347%0.47437%0.366SS..  trans96.8-137-177.400000112.5N1071 I1091N1071-G1073 VanDerWaalsContact C-N 3.32Å; N1071-G1073 PolarHBondContact O-N 2.69Å; G1073-I1091 CarbonylContact C-O 3.59Å; G1073-I1091 WeakPolarHBondContact CA-O 3.39Å
1074L93.4Very high92.4Very high58 Ų5862.4 Ų62.430%0.30436%0.362SS..EExtended strand (participates in β ladder)trans-121.5145.7-173.5-178.268.1000111.2I1076 H1090 I1091 C1128L1074-I1076 HydrophobicContact CD2-CG1 4.38Å; L1074-H1090 PolarHBondContact O-CD2 3.16Å; L1074-I1091 PolarHBondContact N-O 3.27Å; L1074-I1091 PolarHBondContact O-N 3.18Å; L1074-C1128 HydrophobicContact CD2-CB 4.17Å
1075E93.9Very high92.7Very high62 Ų6258.1 Ų58.129%0.2935%0.346SS..EExtended strand (participates in β ladder)trans-116.2134.7172-172.4-173-108.500110.2V1077 R1088E1075-V1077 HydrophobicContact CG-CG2 3.83Å; E1075-R1088 HydrophobicContact CG-CG 4.19Å; E1075-R1088 IonicContact OE1-CZ 3.48Å; E1075-R1088 IonicContact OE1-NE 3.48Å; E1075-R1088 PolarHBondContact OE1-NE 2.99Å; E1075-R1088 IonicContact OE1-NH2 3.52Å; E1075-R1088 PolarHBondContact OE1-NH2 3.17Å
1076I96.3Very high93Very high0 Ų055.1 Ų55.10%033%0.327CS..EExtended strand (participates in β ladder)trans-117.5124.5174.1-62178.6000107.7L1074 R1088 I1089 I1091 L1127 Y1131 L1139L1074-I1076 HydrophobicContact CD2-CG1 4.38Å; I1076-R1088 WeakPolarHBondContact O-CA 3.42Å; I1076-I1089 PolarHBondContact N-O 2.92Å; I1076-I1089 PolarHBondContact O-N 3.12Å; I1076-I1091 HydrophobicContact CD1-CD1 3.81Å; I1076-I1091 HydrophobicContact CG1-CD1 4.48Å; I1076-L1127 HydrophobicContact CD1-CD1 4.44Å; I1076-L1127 HydrophobicContact CD1-CD2 4.13Å; I1076-L1127 HydrophobicContact CD1-CG 3.77Å; I1076-Y1131 HydrophobicContact CD1-CD1 4.46Å; I1076-Y1131 HydrophobicContact CD1-CG 4.36Å; I1076-Y1131 HydrophobicContact CG1-CD1 4.07Å; I1076-Y1131 HydrophobicContact CG1-CE1 4.41Å; I1076-Y1131 HydrophobicContact CG1-CG 4.34Å; I1076-Y1131 HydrophobicContact CG2-CD1 3.99Å; I1076-Y1131 HydrophobicContact CG2-CD2 3.52Å; I1076-Y1131 HydrophobicContact CG2-CE1 4.04Å; I1076-Y1131 HydrophobicContact CG2-CE2 3.58Å; I1076-Y1131 HydrophobicContact CG2-CG 3.7Å; I1076-L1139 HydrophobicContact CG2-CD1 4.11Å
1077V96.3Very high93.4Very high41 Ų4153 Ų5325%0.24832%0.317CS..EExtended strand (participates in β ladder)trans-129.3131.2-179.9-174.20000110E1075 Y1086 F1087 R1088 Y1131E1075-V1077 HydrophobicContact CG-CG2 3.83Å; V1077-Y1086 HydrophobicContact CG1-CD2 4.02Å; V1077-Y1086 HydrophobicContact CG1-CE2 3.52Å; V1077-F1087 WeakPolarHBondContact CA-O 3.32Å; V1077-R1088 HydrophobicContact CG2-CB 4.33Å; V1077-R1088 HydrophobicContact CG2-CG 4.14Å; V1077-Y1131 PolarHBondContact O-OH 2.95Å
1078T96.6Very high93.7Very high7 Ų749.3 Ų49.34%0.04330%0.298CS..EExtended strand (participates in β ladder)trans-124.1151.9170.360.10000111.3F1087 Y1131 L1139T1078-F1087 PolarHBondContact N-O 3.23Å; T1078-F1087 PolarHBondContact O-N 3.24Å; T1078-Y1131 HydrophobicContact CG2-CE2 4.03Å; T1078-L1139 HydrophobicContact CG2-CD1 4.15Å; T1078-L1139 HydrophobicContact CG2-CG 3.76Å; T1078-L1139 WeakPolarHBondContact OG1-CB 3.47Å; T1078-L1139 WeakPolarHBondContact OG1-CG 3.16Å; T1078-L1139 PolarHBondContact OG1-N 3.26Å
1079G94.8Very high94Very high47 Ų4745.3 Ų45.349%0.48527%0.265SS..SBendtrans67.5-162.2179.300000114.4T1085G1079-T1085 WeakPolarHBondContact CA-O 3.34Å
1080N94.6Very high94.3Very high75 Ų7541.2 Ų41.240%0.40125%0.246SC..  trans-139.4134.1-173.5-173-68.1000111.6K1082 N1083 G1084 T1085N1080-K1082 VanDerWaalsContact C-N 3.34Å; N1080-K1082 PolarHBondContact O-N 2.8Å; N1080-K1082 WeakPolarHBondContact OD1-CB 3.4Å; N1080-K1082 PolarHBondContact OD1-N 2.79Å; N1080-N1083 HydrophobicContact CB-CB 4.24Å; N1080-N1083 PolarHBondContact O-N 2.86Å; N1080-G1084 PolarHBondContact O-N 3.33Å; N1080-G1084 VanDerWaalsContact O-N 3.14Å; N1080-T1085 PolarHBondContact N-OG1 3.01Å; N1080-T1085 VanDerWaalsContact N-OG1 3.1Å; N1080-T1085 PolarHBondContact O-N 2.77Å; N1080-T1085 VanDerWaalsContact O-N 3.1Å
1081A93.8Very high94.8Very high5 Ų534.4 Ų34.44%0.04120%0.202CC..THydrogen-bonded Turntrans-63.1-39.3-176.400000112.4S881 A885 N1083 G1084 Y1086 L1103S881-A1081 WeakPolarHBondContact O-CB 2.87Å; A885-A1081 HydrophobicContact CB-CB 3.84Å; A1081-N1083 VanDerWaalsContact C-N 3.31Å; A1081-N1083 PolarHBondContact O-N 2.66Å; A1081-G1084 PolarHBondContact O-N 3.48Å; A1081-G1084 VanDerWaalsContact O-N 3.1Å; A1081-Y1086 HydrophobicContact CB-CD2 4.15Å; A1081-Y1086 HydrophobicContact CB-CG 4.04Å; A1081-L1103 HydrophobicContact CB-CD2 4.06Å
1082K92.9Very high95Very high97 Ų9731.9 Ų31.942%0.42219%0.189SC..THydrogen-bonded Turntrans-67.2-34.2179.2-55.4-167.5179.9-151.60112A885 D888 Y1049 N1080 G1084A885-K1082 HydrophobicContact CB-CG 4.3Å; D888-K1082 WeakPolarHBondContact OD2-CD 3.12Å; D888-K1082 WeakPolarHBondContact OD2-CE 3.41Å; D888-K1082 IonicContact OD2-NZ 2.95Å; D888-K1082 PolarHBondContact OD2-NZ 3.01Å; Y1049-K1082 PolarHBondContact OH-O 2.94Å; N1080-K1082 VanDerWaalsContact C-N 3.34Å; N1080-K1082 PolarHBondContact O-N 2.8Å; N1080-K1082 WeakPolarHBondContact OD1-CB 3.4Å; N1080-K1082 PolarHBondContact OD1-N 2.79Å; K1082-G1084 VanDerWaalsContact C-N 3.26Å; K1082-G1084 PolarHBondContact O-N 3.35Å
1083N92.4Very high95.1Very high110 Ų11036.3 Ų36.359%0.58821%0.208SC*.THydrogen-bonded Turntrans-79.7-10.3176.2-64.1-3.1000112.7N1080 A1081N1080-N1083 HydrophobicContact CB-CB 4.24Å; N1080-N1083 PolarHBondContact O-N 2.86Å; A1081-N1083 VanDerWaalsContact C-N 3.31Å; A1081-N1083 PolarHBondContact O-N 2.66Å
1084G92.8Very high95.1Very high3 Ų341.5 Ų41.53%0.03121%0.214CC..THydrogen-bonded Turntrans6841.1-175.300000112.9Y1049 N1080 A1081 K1082 L1103 S1104 R1105Y1049-G1084 VanDerWaalsContact CE1-CA 3.46Å; N1080-G1084 PolarHBondContact O-N 3.33Å; N1080-G1084 VanDerWaalsContact O-N 3.14Å; A1081-G1084 PolarHBondContact O-N 3.48Å; A1081-G1084 VanDerWaalsContact O-N 3.1Å; K1082-G1084 VanDerWaalsContact C-N 3.26Å; K1082-G1084 PolarHBondContact O-N 3.35Å; G1084-L1103 CarbonylContact C-O 3.58Å; G1084-S1104 CarbonylContact O-C 3.33Å; G1084-S1104 WeakPolarHBondContact O-CA 3.28Å; G1084-R1105 PolarHBondContact O-N 3.2Å
1085T96Very high95.2Very high61 Ų6143 Ų4337%0.37422%0.219SC..EExtended strand (participates in β ladder)trans-127.821.4174.657.70000111.6G1079 N1080G1079-T1085 WeakPolarHBondContact CA-O 3.34Å; N1080-T1085 PolarHBondContact N-OG1 3.01Å; N1080-T1085 VanDerWaalsContact N-OG1 3.1Å; N1080-T1085 PolarHBondContact O-N 2.77Å; N1080-T1085 VanDerWaalsContact O-N 3.1Å
1086Y97.8Very high95.3Very high13 Ų1342.6 Ų42.65%0.05122%0.217CC..EExtended strand (participates in β ladder)trans-83.5122.9-169.4179.5-99.6000112.4N879 V882 V1077 A1081 R1088 T1101 C1102 L1103 Y1140N879-Y1086 PolarHBondContact ND2-OH 3.41Å; N879-Y1086 VanDerWaalsContact ND2-OH 3.13Å; V882-Y1086 HydrophobicContact CG2-CD1 4Å; V882-Y1086 HydrophobicContact CG2-CE1 3.82Å; V1077-Y1086 HydrophobicContact CG1-CD2 4.02Å; V1077-Y1086 HydrophobicContact CG1-CE2 3.52Å; A1081-Y1086 HydrophobicContact CB-CD2 4.15Å; A1081-Y1086 HydrophobicContact CB-CG 4.04Å; Y1086-R1088 HydrophobicContact CE1-CB 3.86Å; Y1086-R1088 WeakPolarHBondContact OH-CD 3.43Å; Y1086-T1101 HydrophobicContact CE1-CG2 4.27Å; Y1086-C1102 WeakPolarHBondContact O-CA 3.22Å; Y1086-L1103 HydrophobicContact CD1-CB 4.3Å; Y1086-L1103 PolarHBondContact N-O 3.09Å; Y1086-L1103 PolarHBondContact O-N 3.39Å; Y1086-Y1140 PolarHBondContact O-OH 3.14Å
1087F98.1Very high95.3Very high0 Ų042.7 Ų42.70%022%0.218CC..EExtended strand (participates in β ladder)trans-131.6123.8172.8-157.7-49.5000108.9V1077 T1078 I1089 I1100 Y1113 L1139 Y1140 F1143V1077-F1087 WeakPolarHBondContact CA-O 3.32Å; T1078-F1087 PolarHBondContact N-O 3.23Å; T1078-F1087 PolarHBondContact O-N 3.24Å; F1087-I1089 HydrophobicContact CD1-CD1 4.39Å; F1087-I1089 HydrophobicContact CD1-CG1 3.93Å; F1087-I1089 HydrophobicContact CE1-CD1 3.68Å; F1087-I1089 HydrophobicContact CE1-CG1 3.49Å; F1087-I1089 VanDerWaalsContact CE1-CG1 3.49Å; F1087-I1089 HydrophobicContact CZ-CD1 4.4Å; F1087-I1100 HydrophobicContact CE1-CG2 3.7Å; F1087-I1100 HydrophobicContact CZ-CG2 4.19Å; F1087-Y1113 HydrophobicContact CE2-CD2 4.14Å; F1087-Y1113 HydrophobicContact CE2-CE1 4.43Å; F1087-Y1113 AromaticContact CE2-CE2 3.79Å; F1087-Y1113 HydrophobicContact CE2-CE2 3.79Å; F1087-Y1113 AromaticContact CE2-CZ 3.96Å; F1087-Y1113 HydrophobicContact CZ-CD2 4.33Å; F1087-Y1113 HydrophobicContact CZ-CE2 4.42Å; F1087-Y1113 HydrophobicContact CZ-CG 4.49Å; F1087-L1139 HydrophobicContact CB-CB 3.89Å; F1087-L1139 HydrophobicContact CB-CD1 4.09Å; F1087-L1139 HydrophobicContact CD1-CB 3.89Å; F1087-L1139 HydrophobicContact CD1-CD1 3.57Å; F1087-L1139 HydrophobicContact CD1-CG 4.39Å; F1087-L1139 HydrophobicContact CD2-CB 3.69Å; F1087-L1139 HydrophobicContact CE1-CB 4.36Å; F1087-L1139 HydrophobicContact CE1-CD1 4.25Å; F1087-L1139 HydrophobicContact CE2-CB 4.16Å; F1087-L1139 HydrophobicContact CG-CB 3.56Å; F1087-L1139 HydrophobicContact CG-CD1 3.94Å; F1087-L1139 HydrophobicContact CG-CG 4.41Å; F1087-L1139 HydrophobicContact CZ-CB 4.48Å; F1087-Y1140 HydrophobicContact CB-CD2 4.14Å; F1087-Y1140 HydrophobicContact CB-CE2 3.76Å; F1087-Y1140 AromaticContact CD2-CD1 3.77Å; F1087-Y1140 HydrophobicContact CD2-CD1 3.77Å; F1087-Y1140 AromaticContact CD2-CD2 3.9Å; F1087-Y1140 HydrophobicContact CD2-CD2 3.9Å; F1087-Y1140 AromaticContact CD2-CE1 3.72Å; F1087-Y1140 HydrophobicContact CD2-CE1 3.72Å; F1087-Y1140 AromaticContact CD2-CE2 3.84Å; F1087-Y1140 HydrophobicContact CD2-CE2 3.84Å; F1087-Y1140 AromaticContact CD2-CG 3.86Å; F1087-Y1140 HydrophobicContact CD2-CG 3.86Å; F1087-Y1140 AromaticContact CD2-CZ 3.75Å; F1087-Y1140 HydrophobicContact CE2-CD1 4.14Å; F1087-Y1140 HydrophobicContact CE2-CE1 4.18Å; F1087-Y1140 HydrophobicContact CG-CE2 4.28Å; F1087-F1143 HydrophobicContact CE1-CE2 4.32Å; F1087-F1143 HydrophobicContact CE2-CD2 4.11Å; F1087-F1143 AromaticContact CZ-CD2 3.87Å; F1087-F1143 HydrophobicContact CZ-CD2 3.87Å; F1087-F1143 HydrophobicContact CZ-CE2 4.02Å
1088R97.6Very high95.3Very high3 Ų342.2 Ų42.21%0.01121%0.213CC..EExtended strand (participates in β ladder)trans-121131.7176.3173.6-172.1-174.7-81-14.9110.8Y1072 E1075 I1076 V1077 Y1086 I1100 T1101Y1072-R1088 PolarHBondContact OH-NH2 2.51Å; E1075-R1088 HydrophobicContact CG-CG 4.19Å; E1075-R1088 IonicContact OE1-CZ 3.48Å; E1075-R1088 IonicContact OE1-NE 3.48Å; E1075-R1088 PolarHBondContact OE1-NE 2.99Å; E1075-R1088 IonicContact OE1-NH2 3.52Å; E1075-R1088 PolarHBondContact OE1-NH2 3.17Å; I1076-R1088 WeakPolarHBondContact O-CA 3.42Å; V1077-R1088 HydrophobicContact CG2-CB 4.33Å; V1077-R1088 HydrophobicContact CG2-CG 4.14Å; Y1086-R1088 HydrophobicContact CE1-CB 3.86Å; Y1086-R1088 WeakPolarHBondContact OH-CD 3.43Å; R1088-I1100 CarbonylContact O-C 3.54Å; R1088-I1100 WeakPolarHBondContact O-CA 3.12Å; R1088-T1101 PolarHBondContact N-O 2.83Å; R1088-T1101 PolarHBondContact O-N 3.14Å
1089I97.6Very high95.3Very high0 Ų042.4 Ų42.40%021%0.214CC..EExtended strand (participates in β ladder)trans-122.6128.2168.7-64.5-174.7000109.1I1076 F1087 I1091 V1097 I1100 L1127 L1139 F1143I1076-I1089 PolarHBondContact N-O 2.92Å; I1076-I1089 PolarHBondContact O-N 3.12Å; F1087-I1089 HydrophobicContact CD1-CD1 4.39Å; F1087-I1089 HydrophobicContact CD1-CG1 3.93Å; F1087-I1089 HydrophobicContact CE1-CD1 3.68Å; F1087-I1089 HydrophobicContact CE1-CG1 3.49Å; F1087-I1089 VanDerWaalsContact CE1-CG1 3.49Å; F1087-I1089 HydrophobicContact CZ-CD1 4.4Å; I1089-I1091 HydrophobicContact CG2-CG1 3.99Å; I1089-V1097 HydrophobicContact CG2-CG1 4.01Å; I1089-V1097 HydrophobicContact CG2-CG2 4Å; I1089-I1100 HydrophobicContact CG1-CG1 4.43Å; I1089-L1127 HydrophobicContact CD1-CD2 4.28Å; I1089-L1127 HydrophobicContact CG2-CD2 4.36Å; I1089-L1139 HydrophobicContact CD1-CD1 4.26Å; I1089-L1139 HydrophobicContact CG1-CD1 4.19Å; I1089-F1143 HydrophobicContact CD1-CE2 3.39Å; I1089-F1143 HydrophobicContact CD1-CZ 3.55Å
1090H96.9Very high95.4Very high0 Ų040.1 Ų40.10%019%0.191CC..EExtended strand (participates in β ladder)trans-106.9128172.8167.4-131000110.1Y1072 L1074 E1098 T1099Y1072-H1090 AromaticContact CD1-CD2 3.97Å; Y1072-H1090 AromaticContact CD1-NE2 3.71Å; Y1072-H1090 AromaticContact CD2-CE1 3.89Å; Y1072-H1090 AromaticContact CD2-NE2 3.62Å; Y1072-H1090 AromaticContact CE1-CD2 3.43Å; Y1072-H1090 VanDerWaalsContact CE1-CD2 3.43Å; Y1072-H1090 WeakPolarHBondContact CE1-CD2 3.32Å; Y1072-H1090 AromaticContact CE1-NE2 3.51Å; Y1072-H1090 AromaticContact CE2-CE1 3.47Å; Y1072-H1090 VanDerWaalsContact CE2-CE1 3.47Å; Y1072-H1090 WeakPolarHBondContact CE2-CE1 3.39Å; Y1072-H1090 AromaticContact CE2-NE2 3.44Å; Y1072-H1090 WeakPolarHBondContact CE2-NE2 3.36Å; Y1072-H1090 AromaticContact CG-NE2 3.77Å; Y1072-H1090 AromaticContact CZ-CD2 3.48Å; Y1072-H1090 VanDerWaalsContact CZ-CD2 3.48Å; Y1072-H1090 AromaticContact CZ-CE1 3.69Å; Y1072-H1090 AromaticContact CZ-CG 3.84Å; Y1072-H1090 AromaticContact CZ-ND1 3.97Å; Y1072-H1090 AromaticContact CZ-NE2 3.38Å; Y1072-H1090 PolarHBondContact O-NE2 2.91Å; L1074-H1090 PolarHBondContact O-CD2 3.16Å; H1090-E1098 IonicContact CE1-OE2 3.08Å; H1090-E1098 PolarHBondContact CE1-OE2 2.94Å; H1090-E1098 PolarHBondContact O-N 3.22Å; H1090-T1099 PolarHBondContact N-O 2.99Å; H1090-T1099 PolarHBondContact O-N 2.87Å
1091I96.8Very high95.6Very high1 Ų136.6 Ų36.61%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-116.6122.3-176.9-58.9172.8000107.8G1073 L1074 I1076 I1089 K1095 M1096 V1097 E1121 L1127 C1128G1073-I1091 CarbonylContact C-O 3.59Å; G1073-I1091 WeakPolarHBondContact CA-O 3.39Å; L1074-I1091 PolarHBondContact N-O 3.27Å; L1074-I1091 PolarHBondContact O-N 3.18Å; I1076-I1091 HydrophobicContact CD1-CD1 3.81Å; I1076-I1091 HydrophobicContact CG1-CD1 4.48Å; I1089-I1091 HydrophobicContact CG2-CG1 3.99Å; I1091-K1095 VanDerWaalsContact CG2-C 3.44Å; I1091-K1095 VanDerWaalsContact CG2-CA 3.45Å; I1091-K1095 HydrophobicContact CG2-CB 4.46Å; I1091-K1095 HydrophobicContact CG2-CD 4.43Å; I1091-M1096 CarbonylContact C-O 3.54Å; I1091-M1096 WeakPolarHBondContact CA-O 3.31Å; I1091-V1097 HydrophobicContact CG1-CG2 4.45Å; I1091-E1121 HydrophobicContact CD1-CB 4.05Å; I1091-L1127 HydrophobicContact CD1-CD2 4.07Å; I1091-C1128 WeakPolarHBondContact CD1-SG 3.29Å
1092N94.3Very high95.8Very high21 Ų2136.4 Ų36.411%0.11217%0.17CC..  trans-74.3178.3-176.471.715.3000112.9Y1072 Y1094 K1095 M1096 E1098Y1072-N1092 WeakPolarHBondContact O-CA 3.37Å; N1092-Y1094 PolarHBondContact O-N 2.69Å; N1092-Y1094 WeakPolarHBondContact OD1-CA 3.46Å; N1092-Y1094 WeakPolarHBondContact OD1-CB 3.49Å; N1092-Y1094 PolarHBondContact OD1-N 2.72Å; N1092-K1095 PolarHBondContact O-N 3.06Å; N1092-K1095 PolarHBondContact OD1-N 3.39Å; N1092-M1096 PolarHBondContact N-O 2.89Å; N1092-M1096 PolarHBondContact OD1-N 3.13Å; N1092-M1096 VanDerWaalsContact OD1-N 3.12Å; N1092-M1096 PolarHBondContact OD1-O 2.8Å; N1092-E1098 HydrophobicContact CB-CB 4.27Å; N1092-E1098 PolarHBondContact ND2-OE1 2.9Å
1093K92.9Very high96Very high112 Ų11231.8 Ų31.849%0.48715%0.15SC..THydrogen-bonded Turntrans-56.6-21.9177.161.7165169.8165.30114.8N1071 K1095N1071-K1093 HydrophobicContact CB-CD 3.87Å; N1071-K1093 HydrophobicContact CB-CG 4.46Å; K1093-K1095 VanDerWaalsContact C-N 3.32Å
1094Y92.1Very high96.2Very high155 Ų15527 Ų2761%0.60813%0.126SC*.THydrogen-bonded Turntrans-93.413.7176.9-54.4-70.4000112.9N1092 M1096N1092-Y1094 PolarHBondContact O-N 2.69Å; N1092-Y1094 WeakPolarHBondContact OD1-CA 3.46Å; N1092-Y1094 WeakPolarHBondContact OD1-CB 3.49Å; N1092-Y1094 PolarHBondContact OD1-N 2.72Å; Y1094-M1096 PolarHBondContact O-N 2.81Å
1095K94.4Very high96.3Very high90 Ų9034 Ų3439%0.39115%0.151SC..SBendtrans62.724.3178.3-57.9-62-174.7177.10114.1I1091 N1092 K1093 H1120 E1121I1091-K1095 VanDerWaalsContact CG2-C 3.44Å; I1091-K1095 VanDerWaalsContact CG2-CA 3.45Å; I1091-K1095 HydrophobicContact CG2-CB 4.46Å; I1091-K1095 HydrophobicContact CG2-CD 4.43Å; N1092-K1095 PolarHBondContact O-N 3.06Å; N1092-K1095 PolarHBondContact OD1-N 3.39Å; K1093-K1095 VanDerWaalsContact C-N 3.32Å; K1095-H1120 VanDerWaalsContact CB-NE2 3.33Å; K1095-H1120 WeakPolarHBondContact CB-NE2 3.49Å; K1095-H1120 WeakPolarHBondContact O-CA 3.37Å; K1095-E1121 HydrophobicContact CB-CG 3.88Å; K1095-E1121 HydrophobicContact CD-CG 4.38Å; K1095-E1121 PolarHBondContact O-N 2.94Å
1096M95.9Very high96.2Very high54 Ų5438.2 Ų38.227%0.26617%0.166SC..BIsolated β-bridgetrans-100.3139.2175.9-60.5-63.3-7000111.1I1091 N1092 Y1094 E1098 G1118 H1120I1091-M1096 CarbonylContact C-O 3.54Å; I1091-M1096 WeakPolarHBondContact CA-O 3.31Å; N1092-M1096 PolarHBondContact N-O 2.89Å; N1092-M1096 PolarHBondContact OD1-N 3.13Å; N1092-M1096 VanDerWaalsContact OD1-N 3.12Å; N1092-M1096 PolarHBondContact OD1-O 2.8Å; Y1094-M1096 PolarHBondContact O-N 2.81Å; M1096-E1098 PolarHBondContact O-N 3Å; M1096-G1118 WeakPolarHBondContact CE-O 3.16Å; M1096-H1120 HydrophobicContact SD-CB 3.59Å; M1096-H1120 VanDerWaalsContact SD-CB 3.59Å
1097V96.9Very high95.9Very high2 Ų242.5 Ų42.51%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-67.4120.9172.6176.70000109.9I1089 I1091 I1100 L1116 G1118 Q1119 L1124I1089-V1097 HydrophobicContact CG2-CG1 4.01Å; I1089-V1097 HydrophobicContact CG2-CG2 4Å; I1091-V1097 HydrophobicContact CG1-CG2 4.45Å; V1097-I1100 HydrophobicContact CG1-CD1 3.98Å; V1097-I1100 HydrophobicContact CG1-CG1 3.8Å; V1097-L1116 WeakPolarHBondContact CB-O 3.16Å; V1097-G1118 WeakPolarHBondContact O-CA 3.37Å; V1097-G1118 PolarHBondContact O-N 3.31Å; V1097-Q1119 PolarHBondContact N-O 2.89Å; V1097-L1124 HydrophobicContact CG2-CD1 3.62Å
1098E95.5Very high95.7Very high30 Ų3044.1 Ų44.114%0.1420%0.203CC..EExtended strand (participates in β ladder)trans-118.6-28.9-172.1-172.4164.8-113.800113K1056 H1090 N1092 M1096 F1117K1056-E1098 HydrophobicContact CB-CG 4.1Å; K1056-E1098 VanDerWaalsContact CD-CD 3.46Å; K1056-E1098 HydrophobicContact CD-CG 3.57Å; K1056-E1098 WeakPolarHBondContact CD-OE1 3.37Å; K1056-E1098 WeakPolarHBondContact CE-OE1 3.42Å; K1056-E1098 WeakPolarHBondContact CE-OE2 3.32Å; K1056-E1098 HydrophobicContact CG-CG 3.67Å; K1056-E1098 PolarHBondContact N-O 3.35Å; K1056-E1098 IonicContact NZ-OE1 3.56Å; K1056-E1098 PolarHBondContact NZ-OE1 2.92Å; K1056-E1098 IonicContact NZ-OE2 3.09Å; K1056-E1098 PolarHBondContact NZ-OE2 2.7Å; K1056-E1098 VanDerWaalsContact NZ-OE2 3.08Å; H1090-E1098 IonicContact CE1-OE2 3.08Å; H1090-E1098 PolarHBondContact CE1-OE2 2.94Å; H1090-E1098 PolarHBondContact O-N 3.22Å; N1092-E1098 HydrophobicContact CB-CB 4.27Å; N1092-E1098 PolarHBondContact ND2-OE1 2.9Å; M1096-E1098 PolarHBondContact O-N 3Å; E1098-F1117 VanDerWaalsContact O-CE2 3.27Å; E1098-F1117 WeakPolarHBondContact O-CE2 3.43Å
1099T96.8Very high95.5Very high11 Ų1145.3 Ų45.37%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-143141.4173.9-48.40000110.9H1053 I1054 A1055 H1090H1053-T1099 VanDerWaalsContact CE1-CG2 3.48Å; H1053-T1099 WeakPolarHBondContact CE1-CG2 3.46Å; I1054-T1099 CarbonylContact O-C 3.48Å; I1054-T1099 WeakPolarHBondContact O-CA 3.1Å; I1054-T1099 WeakPolarHBondContact O-CG2 3.37Å; A1055-T1099 HydrophobicContact CB-CG2 4.16Å; H1090-T1099 PolarHBondContact N-O 2.99Å; H1090-T1099 PolarHBondContact O-N 2.87Å
1100I98.1Very high95.3Very high0 Ų046 Ų460%022%0.217CC..EExtended strand (participates in β ladder)trans-127.5136.6172.7-56.3173.1000108H1053 I1054 F1087 R1088 I1089 V1097 L1116H1053-I1100 WeakPolarHBondContact CA-O 3.44Å; I1054-I1100 HydrophobicContact CB-CB 4.21Å; I1054-I1100 HydrophobicContact CD1-CB 4.1Å; I1054-I1100 HydrophobicContact CD1-CD1 4.08Å; I1054-I1100 HydrophobicContact CD1-CG2 4.43Å; I1054-I1100 PolarHBondContact N-O 2.81Å; I1054-I1100 PolarHBondContact O-N 2.98Å; F1087-I1100 HydrophobicContact CE1-CG2 3.7Å; F1087-I1100 HydrophobicContact CZ-CG2 4.19Å; R1088-I1100 CarbonylContact O-C 3.54Å; R1088-I1100 WeakPolarHBondContact O-CA 3.12Å; I1089-I1100 HydrophobicContact CG1-CG1 4.43Å; V1097-I1100 HydrophobicContact CG1-CD1 3.98Å; V1097-I1100 HydrophobicContact CG1-CG1 3.8Å; I1100-L1116 HydrophobicContact CD1-CB 3.65Å; I1100-L1116 HydrophobicContact CD1-CD1 4.49Å
1101T97.9Very high95.1Very high1 Ų148.1 Ų48.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-138121.4174.5-51.90000109.9V882 Y1051 L1052 H1053 Y1086 R1088V882-T1101 HydrophobicContact CG2-CG2 4.26Å; Y1051-T1101 HydrophobicContact CE2-CG2 3.96Å; L1052-T1101 CarbonylContact O-C 3.52Å; L1052-T1101 WeakPolarHBondContact O-CA 3.28Å; H1053-T1101 PolarHBondContact ND1-OG1 2.96Å; Y1086-T1101 HydrophobicContact CE1-CG2 4.27Å; R1088-T1101 PolarHBondContact N-O 2.83Å; R1088-T1101 PolarHBondContact O-N 3.14Å
1102C98Very high95Very high0 Ų048.2 Ų48.20%023%0.232CC..EExtended strand (participates in β ladder)trans-120.6137.1-177.7-59.70000109.1Y1051 L1052 Y1086 F1108 Y1140Y1051-C1102 WeakPolarHBondContact CA-O 3.39Å; Y1051-C1102 WeakPolarHBondContact CD2-O 3.41Å; L1052-C1102 HydrophobicContact CB-CB 4.21Å; L1052-C1102 PolarHBondContact N-O 3.04Å; L1052-C1102 PolarHBondContact O-N 3.47Å; Y1086-C1102 WeakPolarHBondContact O-CA 3.22Å; C1102-F1108 HydrophobicContact CB-CE1 4.1Å; C1102-F1108 HydrophobicContact CB-CE2 4.17Å; C1102-F1108 HydrophobicContact CB-CZ 3.71Å; C1102-Y1140 WeakPolarHBondContact CB-OH 3.21Å
1103L97.7Very high95.1Very high0 Ų047.4 Ų47.40%023%0.228CC..EExtended strand (participates in β ladder)trans-141.1106.5170.5-170.980.4000108.6V882 A885 L1045 Y1049 H1050 Y1051 A1081 G1084 Y1086 Y1140V882-L1103 HydrophobicContact CG1-CD1 4.08Å; V882-L1103 HydrophobicContact CG1-CD2 4.1Å; V882-L1103 HydrophobicContact CG2-CB 4.44Å; V882-L1103 HydrophobicContact CG2-CD2 4.46Å; A885-L1103 HydrophobicContact CB-CD2 4Å; L1045-L1103 HydrophobicContact CD1-CD1 4.08Å; Y1049-L1103 HydrophobicContact CD1-CD2 4.41Å; Y1049-L1103 HydrophobicContact CD1-CG 4.2Å; Y1049-L1103 HydrophobicContact CD2-CD2 4.43Å; Y1049-L1103 HydrophobicContact CG-CD1 4.1Å; Y1049-L1103 HydrophobicContact CG-CD2 4.24Å; Y1049-L1103 HydrophobicContact CG-CG 4.02Å; H1050-L1103 WeakPolarHBondContact O-CA 3.28Å; Y1051-L1103 HydrophobicContact CD2-CD1 4.01Å; A1081-L1103 HydrophobicContact CB-CD2 4.06Å; G1084-L1103 CarbonylContact C-O 3.58Å; Y1086-L1103 HydrophobicContact CD1-CB 4.3Å; Y1086-L1103 PolarHBondContact N-O 3.09Å; Y1086-L1103 PolarHBondContact O-N 3.39Å; L1103-Y1140 PolarHBondContact N-OH 2.96Å
1104S96.6Very high95.2Very high11 Ų1143 Ų438%0.07721%0.209CC..EExtended strand (participates in β ladder)trans-128145.7-173.6-177.30000112.2Y1049 H1050 G1084 E1106Y1049-S1104 CarbonylContact C-O 3.48Å; Y1049-S1104 WeakPolarHBondContact CA-O 3.22Å; H1050-S1104 PolarHBondContact N-O 3.03Å; H1050-S1104 PolarHBondContact O-N 2.89Å; G1084-S1104 CarbonylContact O-C 3.33Å; G1084-S1104 WeakPolarHBondContact O-CA 3.28Å; S1104-E1106 WeakPolarHBondContact CB-O 3.38Å; S1104-E1106 PolarHBondContact OG-N 3.34Å; S1104-E1106 PolarHBondContact OG-O 3.47Å
1105R94Very high95.3Very high148 Ų14840.6 Ų40.656%0.55820%0.199SC*.SBendtrans-77-26.6165.6-79.6177.4179.8-169.43.3112.7Y1049 G1084Y1049-R1105 HydrophobicContact CD1-CG 3.73Å; Y1049-R1105 HydrophobicContact CE1-CG 3.61Å; Y1049-R1105 PolarHBondContact OH-NH2 2.92Å; G1084-R1105 PolarHBondContact O-N 3.2Å
1106E93.7Very high95.4Very high150 Ų15036.3 Ų36.370%0.70118%0.18SC*.SBendtrans-93.1142.8176.1-65.4-177.7-179.200110.4S1104S1104-E1106 WeakPolarHBondContact CB-O 3.38Å; S1104-E1106 PolarHBondContact OG-N 3.34Å; S1104-E1106 PolarHBondContact OG-O 3.47Å
1107P92.3Very high95.4Very high103 Ų10335.6 Ų35.667%0.66918%0.176SC*.  trans-64.2142.8174.627.7-34.1000110.4
1108F93.9Very high95.2Very high34 Ų3436.7 Ų36.715%0.14919%0.187CC..  trans-131.3158.3179.554.3-103.1000111.4H1050 L1052 C1102 A1110 Y1113 Y1140H1050-F1108 HydrophobicContact CB-CD1 4.2Å; H1050-F1108 HydrophobicContact CB-CE1 3.63Å; H1050-F1108 HydrophobicContact CB-CZ 4.22Å; H1050-F1108 WeakPolarHBondContact O-CE1 3.44Å; L1052-F1108 HydrophobicContact CB-CE2 3.61Å; L1052-F1108 HydrophobicContact CB-CZ 3.71Å; L1052-F1108 HydrophobicContact CD2-CE2 3.84Å; L1052-F1108 HydrophobicContact CG-CE2 4.38Å; C1102-F1108 HydrophobicContact CB-CE1 4.1Å; C1102-F1108 HydrophobicContact CB-CE2 4.17Å; C1102-F1108 HydrophobicContact CB-CZ 3.71Å; F1108-A1110 HydrophobicContact CE2-CB 4.37Å; F1108-A1110 PolarHBondContact O-N 3.14Å; F1108-Y1113 HydrophobicContact CB-CE2 3.79Å; F1108-Y1113 AromaticContact CD2-CD2 3.72Å; F1108-Y1113 HydrophobicContact CD2-CD2 3.72Å; F1108-Y1113 AromaticContact CD2-CE2 3.59Å; F1108-Y1113 HydrophobicContact CD2-CE2 3.59Å; F1108-Y1113 HydrophobicContact CE2-CD2 4.27Å; F1108-Y1113 HydrophobicContact CE2-CE2 4.46Å; F1108-Y1113 HydrophobicContact CG-CD2 4.44Å; F1108-Y1113 AromaticContact CG-CE2 3.86Å; F1108-Y1113 HydrophobicContact CG-CE2 3.86Å; F1108-Y1140 HydrophobicContact CB-CD1 4.32Å; F1108-Y1140 HydrophobicContact CB-CE1 4.11Å; F1108-Y1140 AromaticContact CD1-CE1 3.78Å; F1108-Y1140 HydrophobicContact CD1-CE1 3.78Å; F1108-Y1140 HydrophobicContact CE1-CE1 4.4Å; F1108-Y1140 AromaticContact CG-CE1 3.99Å; F1108-Y1140 HydrophobicContact CG-CE1 3.99Å
1109P93.6Very high95.2Very high28 Ų2836.1 Ų36.118%0.18219%0.185CC..  trans-77.281.4-175.732.4-37.2000111.9V625 S1111 N1112 Y1113V625-P1109 HydrophobicContact CB-CB 3.61Å; V625-P1109 HydrophobicContact CG1-CB 3.86Å; V625-P1109 HydrophobicContact CG2-CB 4.07Å; P1109-S1111 PolarHBondContact O-N 3.48Å; P1109-N1112 HydrophobicContact CB-CB 4.1Å; P1109-N1112 HydrophobicContact CG-CB 4.24Å; P1109-N1112 WeakPolarHBondContact O-CB 3.3Å; P1109-N1112 PolarHBondContact O-N 3.02Å; P1109-Y1113 HydrophobicContact CG-CE1 4.17Å; P1109-Y1113 PolarHBondContact O-N 3.13Å
1110A93.4Very high95.1Very high16 Ų1638.5 Ų38.513%0.13220%0.195CC..Hα-helixtrans-53.9-39.5-178.900000113.1L1052 F1108 N1112 Y1113 I1114L1052-A1110 HydrophobicContact CD1-CB 4.43Å; L1052-A1110 HydrophobicContact CD2-CB 3.91Å; F1108-A1110 HydrophobicContact CE2-CB 4.37Å; F1108-A1110 PolarHBondContact O-N 3.14Å; A1110-N1112 VanDerWaalsContact C-N 3.25Å; A1110-N1112 PolarHBondContact O-N 3.09Å; A1110-Y1113 PolarHBondContact O-N 2.91Å; A1110-I1114 WeakPolarHBondContact O-CD1 3.32Å; A1110-I1114 WeakPolarHBondContact O-CG1 3.34Å; A1110-I1114 PolarHBondContact O-N 3.44Å
1111S92.2Very high95Very high43 Ų4339.3 Ų39.330%0.30120%0.199SC..Hα-helixtrans-60.1-31.3177.456.70000113.7P1109P1109-S1111 PolarHBondContact O-N 3.48Å
1112N95.2Very high94.8Very high4 Ų442.7 Ų42.72%0.02121%0.214CC..Hα-helixtrans-74.2-49.1174.4-69.51.1000110.1V625 P1109 A1110 I1114 R1115 F1152V625-N1112 PolarHBondContact N-OD1 3.1Å; V625-N1112 PolarHBondContact O-ND2 3.38Å; P1109-N1112 HydrophobicContact CB-CB 4.1Å; P1109-N1112 HydrophobicContact CG-CB 4.24Å; P1109-N1112 WeakPolarHBondContact O-CB 3.3Å; P1109-N1112 PolarHBondContact O-N 3.02Å; A1110-N1112 VanDerWaalsContact C-N 3.25Å; A1110-N1112 PolarHBondContact O-N 3.09Å; N1112-I1114 VanDerWaalsContact C-N 3.28Å; N1112-I1114 PolarHBondContact O-N 2.72Å; N1112-R1115 WeakPolarHBondContact O-CB 3.42Å; N1112-R1115 PolarHBondContact O-N 3.4Å; N1112-F1152 HydrophobicContact CB-CB 4.45Å; N1112-F1152 HydrophobicContact CB-CD1 3.92Å; N1112-F1152 HydrophobicContact CB-CD2 3.64Å; N1112-F1152 HydrophobicContact CB-CE1 3.98Å; N1112-F1152 HydrophobicContact CB-CE2 3.73Å; N1112-F1152 HydrophobicContact CB-CG 3.75Å; N1112-F1152 HydrophobicContact CB-CZ 3.89Å; N1112-F1152 VanDerWaalsContact O-CD1 3.28Å; N1112-F1152 WeakPolarHBondContact O-CD1 3.26Å; N1112-F1152 WeakPolarHBondContact O-CE1 3.44Å
1113Y96.3Very high94.6Very high4 Ų445.9 Ų45.92%0.01623%0.231CC..Hα-helixtrans-64.3-30.7-176-62.2-14.6000113.5L1052 F1087 F1108 P1109 A1110 R1115 L1116 Y1140 F1143L1052-Y1113 HydrophobicContact CD2-CD2 4.38Å; F1087-Y1113 HydrophobicContact CE2-CD2 4.14Å; F1087-Y1113 HydrophobicContact CE2-CE1 4.43Å; F1087-Y1113 AromaticContact CE2-CE2 3.79Å; F1087-Y1113 HydrophobicContact CE2-CE2 3.79Å; F1087-Y1113 AromaticContact CE2-CZ 3.96Å; F1087-Y1113 HydrophobicContact CZ-CD2 4.33Å; F1087-Y1113 HydrophobicContact CZ-CE2 4.42Å; F1087-Y1113 HydrophobicContact CZ-CG 4.49Å; F1108-Y1113 HydrophobicContact CB-CE2 3.79Å; F1108-Y1113 AromaticContact CD2-CD2 3.72Å; F1108-Y1113 HydrophobicContact CD2-CD2 3.72Å; F1108-Y1113 AromaticContact CD2-CE2 3.59Å; F1108-Y1113 HydrophobicContact CD2-CE2 3.59Å; F1108-Y1113 HydrophobicContact CE2-CD2 4.27Å; F1108-Y1113 HydrophobicContact CE2-CE2 4.46Å; F1108-Y1113 HydrophobicContact CG-CD2 4.44Å; F1108-Y1113 AromaticContact CG-CE2 3.86Å; F1108-Y1113 HydrophobicContact CG-CE2 3.86Å; P1109-Y1113 HydrophobicContact CG-CE1 4.17Å; P1109-Y1113 PolarHBondContact O-N 3.13Å; A1110-Y1113 PolarHBondContact O-N 2.91Å; Y1113-R1115 PolarHBondContact O-N 2.97Å; Y1113-R1115 VanDerWaalsContact O-N 3.08Å; Y1113-L1116 HydrophobicContact CD1-CD1 4.18Å; Y1113-L1116 WeakPolarHBondContact O-CB 3.32Å; Y1113-L1116 PolarHBondContact O-N 3.28Å; Y1113-Y1140 HydrophobicContact CE2-CD1 4.07Å; Y1113-Y1140 HydrophobicContact CE2-CE1 4.01Å; Y1113-Y1140 WeakPolarHBondContact OH-CD1 3.45Å; Y1113-F1143 HydrophobicContact CE1-CB 4.02Å
1114I94.9Very high94.5Very high18 Ų1845.9 Ų45.99%0.09223%0.231CC..THydrogen-bonded Turntrans-58-22172.4-67.7162.7000112.2H721 I1040 I1054 A1110 N1112H721-I1114 HydrophobicContact CB-CD1 3.99Å; I1040-I1114 HydrophobicContact CD1-CD1 3.87Å; I1040-I1114 HydrophobicContact CD1-CG1 3.92Å; I1040-I1114 HydrophobicContact CD1-CG2 3.74Å; I1054-I1114 HydrophobicContact CD1-CB 4.36Å; I1054-I1114 HydrophobicContact CD1-CG1 3.83Å; I1054-I1114 HydrophobicContact CG1-CG1 4.19Å; A1110-I1114 WeakPolarHBondContact O-CD1 3.32Å; A1110-I1114 WeakPolarHBondContact O-CG1 3.34Å; A1110-I1114 PolarHBondContact O-N 3.44Å; N1112-I1114 VanDerWaalsContact C-N 3.28Å; N1112-I1114 PolarHBondContact O-N 2.72Å
1115R94.3Very high94.4Very high105 Ų10547.1 Ų47.140%0.39624%0.237SC..THydrogen-bonded Turntrans-84.3-12.7177.3-59.6-62.480.5157-2.4114.9N1112 Y1113 F1117 Q1119 F1152N1112-R1115 WeakPolarHBondContact O-CB 3.42Å; N1112-R1115 PolarHBondContact O-N 3.4Å; Y1113-R1115 PolarHBondContact O-N 2.97Å; Y1113-R1115 VanDerWaalsContact O-N 3.08Å; R1115-F1117 VanDerWaalsContact C-N 3.29Å; R1115-Q1119 VanDerWaalsContact O-CG 3.26Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.32Å; R1115-Q1119 PolarHBondContact O-NE2 2.8Å; R1115-Q1119 VanDerWaalsContact O-NE2 3.14Å; R1115-F1152 HydrophobicContact CB-CD1 4.09Å
1116L95.8Very high94.4Very high0 Ų043.5 Ų43.50%023%0.228CC..THydrogen-bonded Turntrans-73.3-25.9173.2-58.2175.2000111.5V1097 I1100 Y1113 G1118 Q1119 L1124 F1143 F1152V1097-L1116 WeakPolarHBondContact CB-O 3.16Å; I1100-L1116 HydrophobicContact CD1-CB 3.65Å; I1100-L1116 HydrophobicContact CD1-CD1 4.49Å; Y1113-L1116 HydrophobicContact CD1-CD1 4.18Å; Y1113-L1116 WeakPolarHBondContact O-CB 3.32Å; Y1113-L1116 PolarHBondContact O-N 3.28Å; L1116-G1118 PolarHBondContact O-N 2.88Å; L1116-Q1119 WeakPolarHBondContact O-CB 3.08Å; L1116-Q1119 WeakPolarHBondContact O-CG 3.43Å; L1116-Q1119 PolarHBondContact O-N 3.39Å; L1116-L1124 HydrophobicContact CD2-CD1 4.49Å; L1116-L1124 HydrophobicContact CD2-CD2 3.7Å; L1116-F1143 HydrophobicContact CD1-CD1 3.93Å; L1116-F1143 HydrophobicContact CD1-CD2 3.83Å; L1116-F1143 HydrophobicContact CD1-CE1 3.97Å; L1116-F1143 HydrophobicContact CD1-CE2 3.89Å; L1116-F1143 HydrophobicContact CD1-CG 3.86Å; L1116-F1143 HydrophobicContact CD1-CZ 3.96Å; L1116-F1143 HydrophobicContact CD2-CD1 3.9Å; L1116-F1143 HydrophobicContact CD2-CE1 3.85Å; L1116-F1152 HydrophobicContact CD2-CE1 3.72Å; L1116-F1152 HydrophobicContact CD2-CZ 4.2Å; L1116-F1152 HydrophobicContact CG-CE1 4.02Å
1117F95.7Very high94.5Very high40 Ų4036.3 Ų36.318%0.17520%0.195CC..THydrogen-bonded Turntrans-59.9134175.9175.4-93000111.6A1038 I1054 K1056 E1098 R1115 Q1119A1038-F1117 HydrophobicContact CB-CD1 3.69Å; A1038-F1117 HydrophobicContact CB-CD2 4.09Å; A1038-F1117 HydrophobicContact CB-CE1 3.7Å; A1038-F1117 HydrophobicContact CB-CE2 4.1Å; A1038-F1117 HydrophobicContact CB-CG 3.88Å; A1038-F1117 HydrophobicContact CB-CZ 3.91Å; I1054-F1117 HydrophobicContact CG2-CB 3.84Å; I1054-F1117 HydrophobicContact CG2-CD2 3.83Å; I1054-F1117 HydrophobicContact CG2-CG 3.96Å; K1056-F1117 HydrophobicContact CB-CE2 4.2Å; K1056-F1117 HydrophobicContact CB-CZ 4.12Å; E1098-F1117 VanDerWaalsContact O-CE2 3.27Å; E1098-F1117 WeakPolarHBondContact O-CE2 3.43Å; R1115-F1117 VanDerWaalsContact C-N 3.29Å; F1117-Q1119 PolarHBondContact O-N 2.75Å
1118G94.3Very high94.6Very high24 Ų2431.8 Ų31.825%0.24717%0.166CC..THydrogen-bonded Turntrans69.717.1-179.800000114.2M1096 V1097 L1116M1096-G1118 WeakPolarHBondContact CE-O 3.16Å; V1097-G1118 WeakPolarHBondContact O-CA 3.37Å; V1097-G1118 PolarHBondContact O-N 3.31Å; L1116-G1118 PolarHBondContact O-N 2.88Å
1119Q94.8Very high94.6Very high19 Ų1932.4 Ų32.49%0.08918%0.177CC..  trans-94.4148.5169.4-55.4-58.2-14.400111V1097 R1115 L1116 F1117 L1123 L1124V1097-Q1119 PolarHBondContact N-O 2.89Å; R1115-Q1119 VanDerWaalsContact O-CG 3.26Å; R1115-Q1119 WeakPolarHBondContact O-CG 3.32Å; R1115-Q1119 PolarHBondContact O-NE2 2.8Å; R1115-Q1119 VanDerWaalsContact O-NE2 3.14Å; L1116-Q1119 WeakPolarHBondContact O-CB 3.08Å; L1116-Q1119 WeakPolarHBondContact O-CG 3.43Å; L1116-Q1119 PolarHBondContact O-N 3.39Å; F1117-Q1119 PolarHBondContact O-N 2.75Å; Q1119-L1123 HydrophobicContact CB-CD2 4.5Å; Q1119-L1124 HydrophobicContact CB-CD1 4.46Å; Q1119-L1124 HydrophobicContact CB-CD2 4.07Å; Q1119-L1124 HydrophobicContact CB-CG 4.26Å; Q1119-L1124 HydrophobicContact CG-CD2 4.47Å
1120H95.1Very high94.7Very high61 Ų6135.2 Ų35.228%0.28218%0.184SC..BIsolated β-bridgetrans-77.4141.5173.5-168.2-87.7000110.1K1095 M1096 Q1122 L1123 L1124K1095-H1120 VanDerWaalsContact CB-NE2 3.33Å; K1095-H1120 WeakPolarHBondContact CB-NE2 3.49Å; K1095-H1120 WeakPolarHBondContact O-CA 3.37Å; M1096-H1120 HydrophobicContact SD-CB 3.59Å; M1096-H1120 VanDerWaalsContact SD-CB 3.59Å; H1120-Q1122 PolarHBondContact ND1-N 3.07Å; H1120-Q1122 PolarHBondContact O-N 2.72Å; H1120-Q1122 VanDerWaalsContact O-N 3.1Å; H1120-L1123 WeakPolarHBondContact O-CB 3.38Å; H1120-L1123 PolarHBondContact O-N 3.05Å; H1120-L1124 PolarHBondContact O-N 3.44Å
1121E95.3Very high94.8Very high17 Ų1737.6 Ų37.68%0.07919%0.19CC..THydrogen-bonded Turntrans-56.3-32-175.568.385.6-169.300113.9I1091 K1095 L1123 L1124 N1126 L1127 C1128I1091-E1121 HydrophobicContact CD1-CB 4.05Å; K1095-E1121 HydrophobicContact CB-CG 3.88Å; K1095-E1121 HydrophobicContact CD-CG 4.38Å; K1095-E1121 PolarHBondContact O-N 2.94Å; E1121-L1123 PolarHBondContact O-N 2.87Å; E1121-L1124 CarbonylContact O-C 3.54Å; E1121-L1124 WeakPolarHBondContact O-CA 3.41Å; E1121-L1124 WeakPolarHBondContact O-CB 3.42Å; E1121-L1124 PolarHBondContact O-N 3.36Å; E1121-L1124 VanDerWaalsContact O-N 3.14Å; E1121-N1126 PolarHBondContact O-N 3.01Å; E1121-L1127 HydrophobicContact CB-CB 4.34Å; E1121-L1127 PolarHBondContact O-N 3.27Å; E1121-L1127 VanDerWaalsContact O-N 3.1Å; E1121-L1127 PolarHBondContact OE2-N 3.45Å; E1121-C1128 PolarHBondContact OE2-N 2.94Å
1122Q93.7Very high94.9Very high71 Ų7140.7 Ų40.733%0.33220%0.203SC..THydrogen-bonded Turntrans-66.8-35.5176.6-64.5-167.5-35.300113.6H1120 L1124 N1125 N1126H1120-Q1122 PolarHBondContact ND1-N 3.07Å; H1120-Q1122 PolarHBondContact O-N 2.72Å; H1120-Q1122 VanDerWaalsContact O-N 3.1Å; Q1122-L1124 PolarHBondContact O-N 3.48Å; Q1122-N1125 PolarHBondContact O-N 2.91Å; Q1122-N1126 PolarHBondContact O-N 3.26Å
1123L93.2Very high94.8Very high67 Ų6746.7 Ų46.735%0.35123%0.231SC..THydrogen-bonded Turntrans-67.9-28.2175-177.763.8000110.9Q1119 H1120 E1121 N1125 L1151 F1156Q1119-L1123 HydrophobicContact CB-CD2 4.5Å; H1120-L1123 WeakPolarHBondContact O-CB 3.38Å; H1120-L1123 PolarHBondContact O-N 3.05Å; E1121-L1123 PolarHBondContact O-N 2.87Å; L1123-N1125 PolarHBondContact O-N 2.98Å; L1123-L1151 HydrophobicContact CD1-CD2 3.91Å; L1123-L1151 HydrophobicContact CD2-CD2 4Å; L1123-L1151 HydrophobicContact CG-CD1 4.47Å; L1123-L1151 HydrophobicContact CG-CD2 3.81Å; L1123-F1156 HydrophobicContact CD1-CZ 4.13Å; L1123-F1156 HydrophobicContact CD2-CE1 3.96Å; L1123-F1156 HydrophobicContact CD2-CZ 4.16Å
1124L95.6Very high94.7Very high0 Ų052.9 Ų52.90%026%0.264CS..THydrogen-bonded Turntrans-8139171.4-53.4-174.9000111.3V1097 L1116 Q1119 H1120 E1121 Q1122 N1126 L1127 Y1142 W1147 L1151V1097-L1124 HydrophobicContact CG2-CD1 3.62Å; L1116-L1124 HydrophobicContact CD2-CD1 4.49Å; L1116-L1124 HydrophobicContact CD2-CD2 3.7Å; Q1119-L1124 HydrophobicContact CB-CD1 4.46Å; Q1119-L1124 HydrophobicContact CB-CD2 4.07Å; Q1119-L1124 HydrophobicContact CB-CG 4.26Å; Q1119-L1124 HydrophobicContact CG-CD2 4.47Å; H1120-L1124 PolarHBondContact O-N 3.44Å; E1121-L1124 CarbonylContact O-C 3.54Å; E1121-L1124 WeakPolarHBondContact O-CA 3.41Å; E1121-L1124 WeakPolarHBondContact O-CB 3.42Å; E1121-L1124 PolarHBondContact O-N 3.36Å; E1121-L1124 VanDerWaalsContact O-N 3.14Å; Q1122-L1124 PolarHBondContact O-N 3.48Å; L1124-N1126 PolarHBondContact O-N 2.79Å; L1124-L1127 HydrophobicContact CB-CB 4.01Å; L1124-L1127 HydrophobicContact CB-CD2 4.39Å; L1124-L1127 HydrophobicContact CD1-CD2 4.01Å; L1124-L1127 PolarHBondContact O-N 2.82Å; L1124-Y1142 PolarHBondContact O-OH 2.85Å; L1124-W1147 HydrophobicContact CB-CH2 4.5Å; L1124-L1151 HydrophobicContact CD2-CD1 3.67Å
1125N94.8Very high94.6Very high38 Ų3857 Ų5720%0.20329%0.286CS..THydrogen-bonded Turntrans5748.1177.1-176.222.1000113.6Q1122 L1123 R1130 Y1142 W1147Q1122-N1125 PolarHBondContact O-N 2.91Å; L1123-N1125 PolarHBondContact O-N 2.98Å; N1125-R1130 PolarHBondContact ND2-NE 3.21Å; N1125-R1130 PolarHBondContact ND2-NH2 2.88Å; N1125-R1130 WeakPolarHBondContact O-CD 3.4Å; N1125-R1130 PolarHBondContact O-NE 3.42Å; N1125-R1130 PolarHBondContact OD1-NE 2.96Å; N1125-R1130 PolarHBondContact OD1-NH2 2.83Å; N1125-Y1142 WeakPolarHBondContact CB-OH 3.34Å; N1125-Y1142 PolarHBondContact O-OH 2.78Å; N1125-W1147 HydrophobicContact CB-CD2 4.08Å; N1125-W1147 HydrophobicContact CB-CE3 4.02Å; N1125-W1147 HydrophobicContact CB-CH2 3.89Å; N1125-W1147 HydrophobicContact CB-CZ2 3.93Å; N1125-W1147 HydrophobicContact CB-CZ3 3.92Å
1126N94.3Very high94.7Very high71 Ų7152.3 Ų52.338%0.3827%0.269SS..SBendtrans53.252.3-177.1-58.9-64.5000112.4E1121 Q1122 L1124 C1128 A1129 R1130E1121-N1126 PolarHBondContact O-N 3.01Å; Q1122-N1126 PolarHBondContact O-N 3.26Å; L1124-N1126 PolarHBondContact O-N 2.79Å; N1126-C1128 VanDerWaalsContact C-N 3.28Å; N1126-C1128 PolarHBondContact O-N 3.14Å; N1126-A1129 HydrophobicContact CB-CB 4.44Å; N1126-A1129 PolarHBondContact O-N 3.23Å; N1126-R1130 PolarHBondContact O-N 3.44Å
1127L95.6Very high94.5Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-50.1-45.2-172177.564.7000112.7I1076 I1089 I1091 E1121 L1124 Y1131 I1136 L1139 Y1142 F1143I1076-L1127 HydrophobicContact CD1-CD1 4.44Å; I1076-L1127 HydrophobicContact CD1-CD2 4.13Å; I1076-L1127 HydrophobicContact CD1-CG 3.77Å; I1089-L1127 HydrophobicContact CD1-CD2 4.28Å; I1089-L1127 HydrophobicContact CG2-CD2 4.36Å; I1091-L1127 HydrophobicContact CD1-CD2 4.07Å; E1121-L1127 HydrophobicContact CB-CB 4.34Å; E1121-L1127 PolarHBondContact O-N 3.27Å; E1121-L1127 VanDerWaalsContact O-N 3.1Å; E1121-L1127 PolarHBondContact OE2-N 3.45Å; L1124-L1127 HydrophobicContact CB-CB 4.01Å; L1124-L1127 HydrophobicContact CB-CD2 4.39Å; L1124-L1127 HydrophobicContact CD1-CD2 4.01Å; L1124-L1127 PolarHBondContact O-N 2.82Å; L1127-Y1131 WeakPolarHBondContact O-CB 3.25Å; L1127-Y1131 PolarHBondContact O-N 3.06Å; L1127-Y1131 VanDerWaalsContact O-N 3.11Å; L1127-I1136 HydrophobicContact CD1-CD1 3.65Å; L1127-L1139 HydrophobicContact CD1-CD2 3.96Å; L1127-Y1142 HydrophobicContact CD1-CD1 4.3Å; L1127-Y1142 HydrophobicContact CD1-CE1 3.78Å; L1127-F1143 HydrophobicContact CD1-CZ 4.28Å; L1127-F1143 HydrophobicContact CD2-CZ 4.47Å
1128C94.8Very high94.5Very high8 Ų858.3 Ų58.35%0.05431%0.307CS..Hα-helixtrans-65.7-50.9-177.4-61.60000111.3L1074 I1091 E1121 N1126 R1130 Y1131 D1132L1074-C1128 HydrophobicContact CD2-CB 4.17Å; I1091-C1128 WeakPolarHBondContact CD1-SG 3.29Å; E1121-C1128 PolarHBondContact OE2-N 2.94Å; N1126-C1128 VanDerWaalsContact C-N 3.28Å; N1126-C1128 PolarHBondContact O-N 3.14Å; C1128-R1130 PolarHBondContact O-N 2.83Å; C1128-Y1131 PolarHBondContact O-N 3.1Å; C1128-D1132 VanDerWaalsContact O-CG 3.28Å; C1128-D1132 PolarHBondContact O-N 2.86Å
1129A94.5Very high94.6Very high46 Ų4657.2 Ų57.238%0.3830%0.295SS..Hα-helixtrans-63-43.6-176.500000111.9N1126 Y1131 D1132 E1133N1126-A1129 HydrophobicContact CB-CB 4.44Å; N1126-A1129 PolarHBondContact O-N 3.23Å; A1129-Y1131 VanDerWaalsContact C-N 3.32Å; A1129-Y1131 PolarHBondContact O-N 2.95Å; A1129-D1132 PolarHBondContact O-N 3.36Å; A1129-E1133 WeakPolarHBondContact O-CB 3.41Å; A1129-E1133 WeakPolarHBondContact O-CG 3.44Å; A1129-E1133 PolarHBondContact O-N 3.42Å
1130R95.1Very high94.7Very high87 Ų8757.6 Ų57.633%0.32830%0.296SS..Hα-helixtrans-66.2-34.5178.3-72.4-173.3178.4-105.52.3112.8N1125 N1126 C1128 N1134 L1135 I1136N1125-R1130 PolarHBondContact ND2-NE 3.21Å; N1125-R1130 PolarHBondContact ND2-NH2 2.88Å; N1125-R1130 WeakPolarHBondContact O-CD 3.4Å; N1125-R1130 PolarHBondContact O-NE 3.42Å; N1125-R1130 PolarHBondContact OD1-NE 2.96Å; N1125-R1130 PolarHBondContact OD1-NH2 2.83Å; N1126-R1130 PolarHBondContact O-N 3.44Å; C1128-R1130 PolarHBondContact O-N 2.83Å; R1130-N1134 PolarHBondContact O-N 3.31Å; R1130-L1135 HydrophobicContact CB-CB 4.24Å; R1130-L1135 HydrophobicContact CB-CD1 4.44Å; R1130-L1135 HydrophobicContact CG-CD1 4.2Å; R1130-L1135 WeakPolarHBondContact O-CB 3.41Å; R1130-L1135 PolarHBondContact O-N 2.9Å; R1130-I1136 HydrophobicContact CB-CD1 3.74Å; R1130-I1136 HydrophobicContact CB-CG1 3.93Å
1131Y94.9Very high94.6Very high67 Ų6756.9 Ų56.926%0.26330%0.298SS..Hα-helixtrans-67.5-46174.3-177.6-103.1000111.1I1076 V1077 T1078 L1127 C1128 A1129 E1133 N1134 I1136I1076-Y1131 HydrophobicContact CD1-CD1 4.46Å; I1076-Y1131 HydrophobicContact CD1-CG 4.36Å; I1076-Y1131 HydrophobicContact CG1-CD1 4.07Å; I1076-Y1131 HydrophobicContact CG1-CE1 4.41Å; I1076-Y1131 HydrophobicContact CG1-CG 4.34Å; I1076-Y1131 HydrophobicContact CG2-CD1 3.99Å; I1076-Y1131 HydrophobicContact CG2-CD2 3.52Å; I1076-Y1131 HydrophobicContact CG2-CE1 4.04Å; I1076-Y1131 HydrophobicContact CG2-CE2 3.58Å; I1076-Y1131 HydrophobicContact CG2-CG 3.7Å; V1077-Y1131 PolarHBondContact O-OH 2.95Å; T1078-Y1131 HydrophobicContact CG2-CE2 4.03Å; L1127-Y1131 WeakPolarHBondContact O-CB 3.25Å; L1127-Y1131 PolarHBondContact O-N 3.06Å; L1127-Y1131 VanDerWaalsContact O-N 3.11Å; C1128-Y1131 PolarHBondContact O-N 3.1Å; A1129-Y1131 VanDerWaalsContact C-N 3.32Å; A1129-Y1131 PolarHBondContact O-N 2.95Å; Y1131-E1133 PolarHBondContact O-N 2.97Å; Y1131-N1134 WeakPolarHBondContact O-CA 3.38Å; Y1131-N1134 PolarHBondContact O-N 3.27Å; Y1131-I1136 HydrophobicContact CD2-CB 4.27Å
1132D93.9Very high94.6Very high108 Ų10856.4 Ų56.458%0.57830%0.296SS*.Hα-helixtrans-60.5-33.1176.7-66.7-21.5000112C1128 A1129 N1134C1128-D1132 VanDerWaalsContact O-CG 3.28Å; C1128-D1132 PolarHBondContact O-N 2.86Å; A1129-D1132 PolarHBondContact O-N 3.36Å; D1132-N1134 PolarHBondContact O-N 2.88Å
1133E94.8Very high94.7Very high130 Ų13053.1 Ų53.161%0.60728%0.28SS*.THydrogen-bonded Turntrans-79.22.8174.1-70.7175.9-175.800114.1A1129 Y1131 L1135A1129-E1133 WeakPolarHBondContact O-CB 3.41Å; A1129-E1133 WeakPolarHBondContact O-CG 3.44Å; A1129-E1133 PolarHBondContact O-N 3.42Å; Y1131-E1133 PolarHBondContact O-N 2.97Å; E1133-L1135 HydrophobicContact CB-CD1 4.24Å; E1133-L1135 HydrophobicContact CB-CG 4.04Å; E1133-L1135 PolarHBondContact O-N 2.96Å; E1133-L1135 WeakPolarHBondContact OE2-CD1 3.45Å
1134N93.1Very high94.7Very high134 Ų13451.3 Ų51.372%0.71727%0.272SS*.THydrogen-bonded Turntrans58.725.1-175.4-58.1-79.8000114.6R1130 Y1131 D1132 I1136R1130-N1134 PolarHBondContact O-N 3.31Å; Y1131-N1134 WeakPolarHBondContact O-CA 3.38Å; Y1131-N1134 PolarHBondContact O-N 3.27Å; D1132-N1134 PolarHBondContact O-N 2.88Å; N1134-I1136 VanDerWaalsContact C-N 3.29Å
1135L93.7Very high94.6Very high103 Ų10355.1 Ų55.154%0.53929%0.29SS..  trans-79.2-15.1174-60.5176.4000112.4R1130 E1133R1130-L1135 HydrophobicContact CB-CB 4.24Å; R1130-L1135 HydrophobicContact CB-CD1 4.44Å; R1130-L1135 HydrophobicContact CG-CD1 4.2Å; R1130-L1135 WeakPolarHBondContact O-CB 3.41Å; R1130-L1135 PolarHBondContact O-N 2.9Å; E1133-L1135 HydrophobicContact CB-CD1 4.24Å; E1133-L1135 HydrophobicContact CB-CG 4.04Å; E1133-L1135 PolarHBondContact O-N 2.96Å; E1133-L1135 WeakPolarHBondContact OE2-CD1 3.45Å
1136I94.9Very high94.4Very high8 Ų856.3 Ų56.34%0.04130%0.3CS..  trans-114.2102.4179-55.6177.9000108.6L1127 R1130 Y1131 N1134 L1139 Y1142L1127-I1136 HydrophobicContact CD1-CD1 3.65Å; R1130-I1136 HydrophobicContact CB-CD1 3.74Å; R1130-I1136 HydrophobicContact CB-CG1 3.93Å; Y1131-I1136 HydrophobicContact CD2-CB 4.27Å; N1134-I1136 VanDerWaalsContact C-N 3.29Å; I1136-L1139 HydrophobicContact CG2-CD2 3.74Å; I1136-L1139 HydrophobicContact CG2-CG 4.33Å; I1136-Y1142 HydrophobicContact CD1-CD1 4.2Å; I1136-Y1142 HydrophobicContact CD1-CD2 4.07Å; I1136-Y1142 HydrophobicContact CD1-CE1 3.84Å; I1136-Y1142 HydrophobicContact CD1-CE2 3.71Å; I1136-Y1142 HydrophobicContact CD1-CG 4.29Å; I1136-Y1142 HydrophobicContact CG1-CD2 3.9Å; I1136-Y1142 HydrophobicContact CG1-CE2 3.82Å; I1136-Y1142 HydrophobicContact CG1-CG 4.36Å; I1136-Y1142 HydrophobicContact CG2-CD2 4.45Å; I1136-Y1142 HydrophobicContact CG2-CG 4.2Å
1137T92.6Very high94.3Very high120 Ų12055.7 Ų55.774%0.73629%0.292SS*.SBendtrans-94.7-26.9177.553.30000112.7
1138D95.4Very high94.2Very high46 Ų4655.7 Ų55.725%0.24629%0.292CS..  trans-147.1119.9-179.616643.4000110.9Y1140 S1141 Y1142D1138-Y1140 VanDerWaalsContact C-N 3.32Å; D1138-Y1140 PolarHBondContact O-N 2.95Å; D1138-Y1140 WeakPolarHBondContact OD1-CB 3.31Å; D1138-Y1140 PolarHBondContact OD1-N 3.39Å; D1138-S1141 WeakPolarHBondContact CB-OG 3.44Å; D1138-S1141 PolarHBondContact O-OG 2.96Å; D1138-S1141 VanDerWaalsContact OD2-CB 3.23Å; D1138-S1141 WeakPolarHBondContact OD2-CB 3.38Å; D1138-S1141 PolarHBondContact OD2-N 2.87Å; D1138-S1141 PolarHBondContact OD2-OG 2.92Å; D1138-Y1142 WeakPolarHBondContact O-CB 3.49Å; D1138-Y1142 PolarHBondContact O-N 3.42Å
1139L96.9Very high94.2Very high0 Ų055.4 Ų55.40%029%0.29CS..Hα-helixtrans-70.9-26179.9-70.1168.8000112.9I1076 T1078 F1087 I1089 L1127 I1136 Y1142 F1143I1076-L1139 HydrophobicContact CG2-CD1 4.11Å; T1078-L1139 HydrophobicContact CG2-CD1 4.15Å; T1078-L1139 HydrophobicContact CG2-CG 3.76Å; T1078-L1139 WeakPolarHBondContact OG1-CB 3.47Å; T1078-L1139 WeakPolarHBondContact OG1-CG 3.16Å; T1078-L1139 PolarHBondContact OG1-N 3.26Å; F1087-L1139 HydrophobicContact CB-CB 3.89Å; F1087-L1139 HydrophobicContact CB-CD1 4.09Å; F1087-L1139 HydrophobicContact CD1-CB 3.89Å; F1087-L1139 HydrophobicContact CD1-CD1 3.57Å; F1087-L1139 HydrophobicContact CD1-CG 4.39Å; F1087-L1139 HydrophobicContact CD2-CB 3.69Å; F1087-L1139 HydrophobicContact CE1-CB 4.36Å; F1087-L1139 HydrophobicContact CE1-CD1 4.25Å; F1087-L1139 HydrophobicContact CE2-CB 4.16Å; F1087-L1139 HydrophobicContact CG-CB 3.56Å; F1087-L1139 HydrophobicContact CG-CD1 3.94Å; F1087-L1139 HydrophobicContact CG-CG 4.41Å; F1087-L1139 HydrophobicContact CZ-CB 4.48Å; I1089-L1139 HydrophobicContact CD1-CD1 4.26Å; I1089-L1139 HydrophobicContact CG1-CD1 4.19Å; L1127-L1139 HydrophobicContact CD1-CD2 3.96Å; I1136-L1139 HydrophobicContact CG2-CD2 3.74Å; I1136-L1139 HydrophobicContact CG2-CG 4.33Å; L1139-Y1142 HydrophobicContact CD2-CD1 4.36Å; L1139-Y1142 PolarHBondContact O-N 3.23Å; L1139-F1143 HydrophobicContact CB-CD2 4.23Å; L1139-F1143 HydrophobicContact CB-CE2 4.09Å; L1139-F1143 HydrophobicContact CD2-CE2 3.75Å; L1139-F1143 HydrophobicContact CD2-CZ 4.24Å; L1139-F1143 HydrophobicContact CG-CE2 4.41Å; L1139-F1143 WeakPolarHBondContact O-CD2 3.48Å; L1139-F1143 PolarHBondContact O-N 3.09Å
1140Y95.8Very high94.1Very high27 Ų2753.7 Ų53.711%0.10628%0.276CS..Hα-helixtrans-63.9-49.8176.4-72.7-76.4000110.6Y1086 F1087 C1102 L1103 F1108 Y1113 D1138 T1144Y1086-Y1140 PolarHBondContact O-OH 3.14Å; F1087-Y1140 HydrophobicContact CB-CD2 4.14Å; F1087-Y1140 HydrophobicContact CB-CE2 3.76Å; F1087-Y1140 AromaticContact CD2-CD1 3.77Å; F1087-Y1140 HydrophobicContact CD2-CD1 3.77Å; F1087-Y1140 AromaticContact CD2-CD2 3.9Å; F1087-Y1140 HydrophobicContact CD2-CD2 3.9Å; F1087-Y1140 AromaticContact CD2-CE1 3.72Å; F1087-Y1140 HydrophobicContact CD2-CE1 3.72Å; F1087-Y1140 AromaticContact CD2-CE2 3.84Å; F1087-Y1140 HydrophobicContact CD2-CE2 3.84Å; F1087-Y1140 AromaticContact CD2-CG 3.86Å; F1087-Y1140 HydrophobicContact CD2-CG 3.86Å; F1087-Y1140 AromaticContact CD2-CZ 3.75Å; F1087-Y1140 HydrophobicContact CE2-CD1 4.14Å; F1087-Y1140 HydrophobicContact CE2-CE1 4.18Å; F1087-Y1140 HydrophobicContact CG-CE2 4.28Å; C1102-Y1140 WeakPolarHBondContact CB-OH 3.21Å; L1103-Y1140 PolarHBondContact N-OH 2.96Å; F1108-Y1140 HydrophobicContact CB-CD1 4.32Å; F1108-Y1140 HydrophobicContact CB-CE1 4.11Å; F1108-Y1140 AromaticContact CD1-CE1 3.78Å; F1108-Y1140 HydrophobicContact CD1-CE1 3.78Å; F1108-Y1140 HydrophobicContact CE1-CE1 4.4Å; F1108-Y1140 AromaticContact CG-CE1 3.99Å; F1108-Y1140 HydrophobicContact CG-CE1 3.99Å; Y1113-Y1140 HydrophobicContact CE2-CD1 4.07Å; Y1113-Y1140 HydrophobicContact CE2-CE1 4.01Å; Y1113-Y1140 WeakPolarHBondContact OH-CD1 3.45Å; D1138-Y1140 VanDerWaalsContact C-N 3.32Å; D1138-Y1140 PolarHBondContact O-N 2.95Å; D1138-Y1140 WeakPolarHBondContact OD1-CB 3.31Å; D1138-Y1140 PolarHBondContact OD1-N 3.39Å; Y1140-T1144 VanDerWaalsContact O-CG2 3.26Å; Y1140-T1144 WeakPolarHBondContact O-CG2 3.46Å; Y1140-T1144 PolarHBondContact O-N 2.94Å
1141S93.9Very high94Very high46 Ų4650 Ų5032%0.32226%0.263SS..Hα-helixtrans-64.8-43.1174.2530000112.5D1138 F1143 T1144 E1145D1138-S1141 WeakPolarHBondContact CB-OG 3.44Å; D1138-S1141 PolarHBondContact O-OG 2.96Å; D1138-S1141 VanDerWaalsContact OD2-CB 3.23Å; D1138-S1141 WeakPolarHBondContact OD2-CB 3.38Å; D1138-S1141 PolarHBondContact OD2-N 2.87Å; D1138-S1141 PolarHBondContact OD2-OG 2.92Å; S1141-F1143 PolarHBondContact O-N 3.29Å; S1141-T1144 WeakPolarHBondContact CA-OG1 3.3Å; S1141-T1144 PolarHBondContact O-N 3.21Å; S1141-T1144 PolarHBondContact O-OG1 2.82Å; S1141-E1145 PolarHBondContact O-N 3.48Å
1142Y95.7Very high94Very high7 Ų746.9 Ų46.93%0.02725%0.251CS..Hα-helixtrans-56.2-47179.4-174.8-109.8000113.3L1124 N1125 L1127 I1136 D1138 L1139 T1144 E1145 W1147L1124-Y1142 PolarHBondContact O-OH 2.85Å; N1125-Y1142 WeakPolarHBondContact CB-OH 3.34Å; N1125-Y1142 PolarHBondContact O-OH 2.78Å; L1127-Y1142 HydrophobicContact CD1-CD1 4.3Å; L1127-Y1142 HydrophobicContact CD1-CE1 3.78Å; I1136-Y1142 HydrophobicContact CD1-CD1 4.2Å; I1136-Y1142 HydrophobicContact CD1-CD2 4.07Å; I1136-Y1142 HydrophobicContact CD1-CE1 3.84Å; I1136-Y1142 HydrophobicContact CD1-CE2 3.71Å; I1136-Y1142 HydrophobicContact CD1-CG 4.29Å; I1136-Y1142 HydrophobicContact CG1-CD2 3.9Å; I1136-Y1142 HydrophobicContact CG1-CE2 3.82Å; I1136-Y1142 HydrophobicContact CG1-CG 4.36Å; I1136-Y1142 HydrophobicContact CG2-CD2 4.45Å; I1136-Y1142 HydrophobicContact CG2-CG 4.2Å; D1138-Y1142 WeakPolarHBondContact O-CB 3.49Å; D1138-Y1142 PolarHBondContact O-N 3.42Å; L1139-Y1142 HydrophobicContact CD2-CD1 4.36Å; L1139-Y1142 PolarHBondContact O-N 3.23Å; Y1142-T1144 PolarHBondContact O-N 2.92Å; Y1142-E1145 VanDerWaalsContact O-CB 3.3Å; Y1142-E1145 WeakPolarHBondContact O-CB 3.45Å; Y1142-E1145 VanDerWaalsContact O-CG 3.31Å; Y1142-E1145 WeakPolarHBondContact O-CG 3.46Å; Y1142-E1145 PolarHBondContact O-N 3.07Å; Y1142-W1147 HydrophobicContact CD1-CZ2 4.1Å; Y1142-W1147 HydrophobicContact CE1-CH2 4.03Å; Y1142-W1147 AromaticContact CE1-CZ2 3.54Å; Y1142-W1147 HydrophobicContact CE1-CZ2 3.54Å; Y1142-W1147 HydrophobicContact CE2-CZ2 4.21Å; Y1142-W1147 AromaticContact CZ-CZ2 3.61Å
1143F95.6Very high94Very high2 Ų242 Ų421%0.00922%0.224CC..THydrogen-bonded Turntrans-80.4-1.1178.5-66.1-58.4000114.2F1087 I1089 Y1113 L1116 L1127 L1139 S1141 W1147 F1152F1087-F1143 HydrophobicContact CE1-CE2 4.32Å; F1087-F1143 HydrophobicContact CE2-CD2 4.11Å; F1087-F1143 AromaticContact CZ-CD2 3.87Å; F1087-F1143 HydrophobicContact CZ-CD2 3.87Å; F1087-F1143 HydrophobicContact CZ-CE2 4.02Å; I1089-F1143 HydrophobicContact CD1-CE2 3.39Å; I1089-F1143 HydrophobicContact CD1-CZ 3.55Å; Y1113-F1143 HydrophobicContact CE1-CB 4.02Å; L1116-F1143 HydrophobicContact CD1-CD1 3.93Å; L1116-F1143 HydrophobicContact CD1-CD2 3.83Å; L1116-F1143 HydrophobicContact CD1-CE1 3.97Å; L1116-F1143 HydrophobicContact CD1-CE2 3.89Å; L1116-F1143 HydrophobicContact CD1-CG 3.86Å; L1116-F1143 HydrophobicContact CD1-CZ 3.96Å; L1116-F1143 HydrophobicContact CD2-CD1 3.9Å; L1116-F1143 HydrophobicContact CD2-CE1 3.85Å; L1127-F1143 HydrophobicContact CD1-CZ 4.28Å; L1127-F1143 HydrophobicContact CD2-CZ 4.47Å; L1139-F1143 HydrophobicContact CB-CD2 4.23Å; L1139-F1143 HydrophobicContact CB-CE2 4.09Å; L1139-F1143 HydrophobicContact CD2-CE2 3.75Å; L1139-F1143 HydrophobicContact CD2-CZ 4.24Å; L1139-F1143 HydrophobicContact CG-CE2 4.41Å; L1139-F1143 WeakPolarHBondContact O-CD2 3.48Å; L1139-F1143 PolarHBondContact O-N 3.09Å; S1141-F1143 PolarHBondContact O-N 3.29Å; F1143-W1147 HydrophobicContact CD1-CH2 4.33Å; F1143-W1147 HydrophobicContact CE1-CH2 4.3Å; F1143-F1152 HydrophobicContact CB-CZ 4.44Å; F1143-F1152 WeakPolarHBondContact O-CE2 3.4Å
1144T92.6Very high93.8Very high30 Ų3037.4 Ų37.418%0.18420%0.204CC..THydrogen-bonded Turntrans-91.1-1.9166.961.60000113K630 Y1140 S1141 Y1142K630-T1144 PolarHBondContact NZ-OG1 3.49Å; Y1140-T1144 VanDerWaalsContact O-CG2 3.26Å; Y1140-T1144 WeakPolarHBondContact O-CG2 3.46Å; Y1140-T1144 PolarHBondContact O-N 2.94Å; S1141-T1144 WeakPolarHBondContact CA-OG1 3.3Å; S1141-T1144 PolarHBondContact O-N 3.21Å; S1141-T1144 PolarHBondContact O-OG1 2.82Å; Y1142-T1144 PolarHBondContact O-N 2.92Å
1145E93.1Very high93.7Very high79 Ų7932 Ų3237%0.36917%0.174SC..SBendtrans-67.4148.3177.1-69178.9-173.700112.2S1141 Y1142 W1147 C1148S1141-E1145 PolarHBondContact O-N 3.48Å; Y1142-E1145 VanDerWaalsContact O-CB 3.3Å; Y1142-E1145 WeakPolarHBondContact O-CB 3.45Å; Y1142-E1145 VanDerWaalsContact O-CG 3.31Å; Y1142-E1145 WeakPolarHBondContact O-CG 3.46Å; Y1142-E1145 PolarHBondContact O-N 3.07Å; E1145-W1147 VanDerWaalsContact C-N 3.28Å; E1145-W1147 PolarHBondContact O-N 3.3Å; E1145-W1147 VanDerWaalsContact O-N 3.14Å; E1145-W1147 PolarHBondContact OE2-NE1 2.76Å; E1145-C1148 WeakPolarHBondContact O-CB 3.35Å; E1145-C1148 PolarHBondContact O-N 2.92Å; E1145-C1148 VanDerWaalsContact O-N 3.09Å
1146P92.1Very high93.7Very high64 Ų6428.3 Ų28.342%0.41615%0.153SC..G310 helixtrans-56.8-33.3-173.9-28.235.9000115.4L631 C1148 L1149 M1230 Y1231L631-P1146 HydrophobicContact CD2-CB 4.25Å; L631-P1146 HydrophobicContact CD2-CG 4.11Å; P1146-C1148 PolarHBondContact O-N 3.01Å; P1146-L1149 PolarHBondContact O-N 2.8Å; P1146-M1230 HydrophobicContact CB-CB 4.21Å; P1146-M1230 HydrophobicContact CB-CG 3.89Å; P1146-Y1231 PolarHBondContact O-OH 3.17Å
1147W91.5Very high93.4Very high58 Ų5831 Ų3122%0.2217%0.167CC..G310 helixtrans-63.8-20.8-179.470.3-98.5000113.3L1124 N1125 Y1142 F1143 E1145 L1151 Y1231L1124-W1147 HydrophobicContact CB-CH2 4.5Å; N1125-W1147 HydrophobicContact CB-CD2 4.08Å; N1125-W1147 HydrophobicContact CB-CE3 4.02Å; N1125-W1147 HydrophobicContact CB-CH2 3.89Å; N1125-W1147 HydrophobicContact CB-CZ2 3.93Å; N1125-W1147 HydrophobicContact CB-CZ3 3.92Å; Y1142-W1147 HydrophobicContact CD1-CZ2 4.1Å; Y1142-W1147 HydrophobicContact CE1-CH2 4.03Å; Y1142-W1147 AromaticContact CE1-CZ2 3.54Å; Y1142-W1147 HydrophobicContact CE1-CZ2 3.54Å; Y1142-W1147 HydrophobicContact CE2-CZ2 4.21Å; Y1142-W1147 AromaticContact CZ-CZ2 3.61Å; F1143-W1147 HydrophobicContact CD1-CH2 4.33Å; F1143-W1147 HydrophobicContact CE1-CH2 4.3Å; E1145-W1147 VanDerWaalsContact C-N 3.28Å; E1145-W1147 PolarHBondContact O-N 3.3Å; E1145-W1147 VanDerWaalsContact O-N 3.14Å; E1145-W1147 PolarHBondContact OE2-NE1 2.76Å; W1147-L1151 HydrophobicContact CE3-CD1 4.45Å; W1147-L1151 HydrophobicContact CZ3-CD1 3.75Å; W1147-Y1231 VanDerWaalsContact CA-OH 3.22Å; W1147-Y1231 WeakPolarHBondContact CA-OH 3.38Å; W1147-Y1231 PolarHBondContact O-OH 3.41Å
1148C93.9Very high93.3Very high0 Ų029.2 Ų29.20%015%0.153CC..G310 helixtrans-81.7-23-177.8-153.70000112.1E1145 P1146 A1150 L1151 F1152E1145-C1148 WeakPolarHBondContact O-CB 3.35Å; E1145-C1148 PolarHBondContact O-N 2.92Å; E1145-C1148 VanDerWaalsContact O-N 3.09Å; P1146-C1148 PolarHBondContact O-N 3.01Å; C1148-A1150 VanDerWaalsContact C-N 3.28Å; C1148-A1150 PolarHBondContact O-N 3.46Å; C1148-L1151 VanDerWaalsContact O-CB 3.29Å; C1148-L1151 WeakPolarHBondContact O-CB 3.42Å; C1148-L1151 PolarHBondContact O-N 2.91Å; C1148-F1152 HydrophobicContact CB-CE2 4.04Å; C1148-F1152 HydrophobicContact CB-CZ 4.25Å; C1148-F1152 PolarHBondContact O-N 3.01Å; C1148-F1152 WeakPolarHBondContact SG-CZ 3.39Å
1149L93.9Very high93.2Very high1 Ų127.5 Ų27.51%0.00514%0.144CC..THydrogen-bonded Turntrans-62.7-31-172.9-59.9177.7000113.4I624 Y626 L631 P1146 L1151 F1152 H1153 L1228 M1230I624-L1149 WeakPolarHBondContact CD1-O 3.47Å; I624-L1149 HydrophobicContact CG2-CD2 4.02Å; Y626-L1149 HydrophobicContact CD1-CD1 4.26Å; L631-L1149 HydrophobicContact CD1-CD1 3.85Å; L631-L1149 HydrophobicContact CD2-CD1 3.92Å; L631-L1149 HydrophobicContact CG-CD1 4.44Å; P1146-L1149 PolarHBondContact O-N 2.8Å; L1149-L1151 VanDerWaalsContact C-N 3.3Å; L1149-L1151 PolarHBondContact O-N 3.48Å; L1149-F1152 HydrophobicContact CD2-CD2 4.15Å; L1149-F1152 PolarHBondContact O-N 2.88Å; L1149-H1153 PolarHBondContact O-N 3.33Å; L1149-L1228 HydrophobicContact CB-CD2 4.19Å; L1149-M1230 HydrophobicContact CB-SD 4.34Å; L1149-M1230 HydrophobicContact CD1-CE 3.4Å; L1149-M1230 HydrophobicContact CD1-CG 4.18Å; L1149-M1230 HydrophobicContact CD1-SD 3.9Å
1150A92.9Very high92.9Very high10 Ų1030.4 Ų30.48%0.08316%0.155CC..THydrogen-bonded Turntrans-62.9-37.6173.500000111.7C1148 F1152 H1153 F1156 Y1220 L1228 Y1231C1148-A1150 VanDerWaalsContact C-N 3.28Å; C1148-A1150 PolarHBondContact O-N 3.46Å; A1150-F1152 VanDerWaalsContact C-N 3.28Å; A1150-F1152 PolarHBondContact O-N 3.4Å; A1150-H1153 WeakPolarHBondContact O-CB 3.36Å; A1150-H1153 PolarHBondContact O-N 2.86Å; A1150-F1156 VanDerWaalsContact O-CB 3.3Å; A1150-F1156 WeakPolarHBondContact O-CB 3.47Å; A1150-F1156 VanDerWaalsContact O-CD2 3.29Å; A1150-F1156 WeakPolarHBondContact O-CD2 3.49Å; A1150-F1156 WeakPolarHBondContact O-CG 3.37Å; A1150-Y1220 HydrophobicContact CB-CE1 4.49Å; A1150-Y1220 PolarHBondContact O-OH 3.2Å; A1150-L1228 HydrophobicContact CB-CD1 4.11Å; A1150-Y1231 HydrophobicContact CB-CE1 4.06Å; A1150-Y1231 HydrophobicContact CB-CE2 4.1Å; A1150-Y1231 VanDerWaalsContact CB-OH 3.31Å; A1150-Y1231 WeakPolarHBondContact CB-OH 3.47Å; A1150-Y1231 PolarHBondContact N-OH 3.04Å
1151L93.1Very high92.7Very high11 Ų1135.1 Ų35.16%0.05818%0.176CC..THydrogen-bonded Turntrans-68.1-30.3176.7-53.2-177.7000112.1L1123 L1124 W1147 C1148 L1149 H1153 F1156L1123-L1151 HydrophobicContact CD1-CD2 3.91Å; L1123-L1151 HydrophobicContact CD2-CD2 4Å; L1123-L1151 HydrophobicContact CG-CD1 4.47Å; L1123-L1151 HydrophobicContact CG-CD2 3.81Å; L1124-L1151 HydrophobicContact CD2-CD1 3.67Å; W1147-L1151 HydrophobicContact CE3-CD1 4.45Å; W1147-L1151 HydrophobicContact CZ3-CD1 3.75Å; C1148-L1151 VanDerWaalsContact O-CB 3.29Å; C1148-L1151 WeakPolarHBondContact O-CB 3.42Å; C1148-L1151 PolarHBondContact O-N 2.91Å; L1149-L1151 VanDerWaalsContact C-N 3.3Å; L1149-L1151 PolarHBondContact O-N 3.48Å; L1151-H1153 VanDerWaalsContact C-N 3.3Å; L1151-F1156 HydrophobicContact CD2-CD1 4.15Å; L1151-F1156 HydrophobicContact CD2-CD2 4.34Å; L1151-F1156 HydrophobicContact CD2-CE1 3.5Å; L1151-F1156 VanDerWaalsContact CD2-CE1 3.5Å; L1151-F1156 HydrophobicContact CD2-CE2 3.71Å; L1151-F1156 HydrophobicContact CD2-CZ 3.26Å
1152F94.4Very high92.6Very high1 Ų137.1 Ų37.10%0.00418%0.18CC..THydrogen-bonded Turntrans-82.4-4.4177.9-58.9-28.9000113.5R622 I624 N1112 R1115 L1116 F1143 C1148 L1149 A1150R622-F1152 PolarHBondContact NH1-O 3.05Å; R622-F1152 PolarHBondContact NH2-O 2.82Å; I624-F1152 HydrophobicContact CG1-CB 4.1Å; I624-F1152 WeakPolarHBondContact CG1-O 3.19Å; I624-F1152 HydrophobicContact CG2-CB 4.28Å; N1112-F1152 HydrophobicContact CB-CB 4.45Å; N1112-F1152 HydrophobicContact CB-CD1 3.92Å; N1112-F1152 HydrophobicContact CB-CD2 3.64Å; N1112-F1152 HydrophobicContact CB-CE1 3.98Å; N1112-F1152 HydrophobicContact CB-CE2 3.73Å; N1112-F1152 HydrophobicContact CB-CG 3.75Å; N1112-F1152 HydrophobicContact CB-CZ 3.89Å; N1112-F1152 VanDerWaalsContact O-CD1 3.28Å; N1112-F1152 WeakPolarHBondContact O-CD1 3.26Å; N1112-F1152 WeakPolarHBondContact O-CE1 3.44Å; R1115-F1152 HydrophobicContact CB-CD1 4.09Å; L1116-F1152 HydrophobicContact CD2-CE1 3.72Å; L1116-F1152 HydrophobicContact CD2-CZ 4.2Å; L1116-F1152 HydrophobicContact CG-CE1 4.02Å; F1143-F1152 HydrophobicContact CB-CZ 4.44Å; F1143-F1152 WeakPolarHBondContact O-CE2 3.4Å; C1148-F1152 HydrophobicContact CB-CE2 4.04Å; C1148-F1152 HydrophobicContact CB-CZ 4.25Å; C1148-F1152 PolarHBondContact O-N 3.01Å; C1148-F1152 WeakPolarHBondContact SG-CZ 3.39Å; L1149-F1152 HydrophobicContact CD2-CD2 4.15Å; L1149-F1152 PolarHBondContact O-N 2.88Å; A1150-F1152 VanDerWaalsContact C-N 3.28Å; A1150-F1152 PolarHBondContact O-N 3.4Å
1153H93.4Very high92.4Very high5 Ų538.5 Ų38.52%0.02319%0.188CC..SBendtrans-72.9148.4175.2-161.2-89.3000111.3R622 I624 L1149 A1150 L1151 R1155 Y1220 N1224 H1227R622-H1153 VanDerWaalsContact NH2-C 3.25Å; R622-H1153 PolarHBondContact NH2-O 2.84Å; R622-H1153 VanDerWaalsContact NH2-O 3.1Å; I624-H1153 HydrophobicContact CD1-CB 4.02Å; L1149-H1153 PolarHBondContact O-N 3.33Å; A1150-H1153 WeakPolarHBondContact O-CB 3.36Å; A1150-H1153 PolarHBondContact O-N 2.86Å; L1151-H1153 VanDerWaalsContact C-N 3.3Å; H1153-R1155 PolarHBondContact ND1-N 3.17Å; H1153-Y1220 VanDerWaalsContact CB-OH 3.27Å; H1153-Y1220 WeakPolarHBondContact CB-OH 3.44Å; H1153-N1224 PolarHBondContact CE1-OD1 3.4Å; H1153-H1227 AromaticContact CD2-CG 4Å; H1153-H1227 WeakPolarHBondContact NE2-CB 3.49Å; H1153-H1227 AromaticContact NE2-CD2 3.32Å; H1153-H1227 PolarHBondContact NE2-CD2 3.49Å; H1153-H1227 VanDerWaalsContact NE2-CD2 3.32Å; H1153-H1227 AromaticContact NE2-CG 3.41Å
1154D90.9Very high92.1Very high34 Ų3445.6 Ų45.618%0.18221%0.214CC..THydrogen-bonded Turntrans-64.7-43.9-179.964.8-24.4000112.2R621 R622 F1156 I1157R621-D1154 WeakPolarHBondContact CG-OD2 3.26Å; R621-D1154 IonicContact CZ-OD2 3.78Å; R621-D1154 IonicContact NH1-OD1 3.59Å; R621-D1154 IonicContact NH1-OD2 3.1Å; R621-D1154 PolarHBondContact NH1-OD2 3.42Å; R622-D1154 HydrophobicContact CB-CB 4.49Å; D1154-F1156 VanDerWaalsContact C-N 3.27Å; D1154-F1156 PolarHBondContact O-N 2.99Å; D1154-I1157 WeakPolarHBondContact O-CG2 3.43Å
1155R91.4Very high92Very high21 Ų2150.9 Ų50.98%0.07924%0.237CC..THydrogen-bonded Turntrans-73.2-4.6179.1-59.4179.6-162.7148.7-4.8115.8E542 H1153 I1157 D1158 L1159 Y1220 N1224 Y1226E542-R1155 IonicContact OE1-CZ 3.79Å; E542-R1155 IonicContact OE1-NH1 2.92Å; E542-R1155 IonicContact OE1-NH2 3.4Å; E542-R1155 PolarHBondContact OE1-NH2 3.12Å; E542-R1155 IonicContact OE2-CZ 2.76Å; E542-R1155 IonicContact OE2-NE 3.55Å; E542-R1155 IonicContact OE2-NH1 3.33Å; E542-R1155 IonicContact OE2-NH2 2.89Å; E542-R1155 PolarHBondContact OE2-NH2 2.95Å; H1153-R1155 PolarHBondContact ND1-N 3.17Å; R1155-I1157 PolarHBondContact O-N 3.38Å; R1155-D1158 PolarHBondContact O-N 3.01Å; R1155-L1159 PolarHBondContact O-N 2.72Å; R1155-Y1220 HydrophobicContact CB-CE2 4.09Å; R1155-N1224 PolarHBondContact NH1-OD1 3.21Å; R1155-Y1226 PolarHBondContact NH1-OH 3.19Å; R1155-Y1226 VanDerWaalsContact NH1-OH 3.16Å; R1155-Y1226 PolarHBondContact NH2-OH 2.71Å
1156F92.6Very high91.8Very high24 Ų2448.3 Ų48.311%0.10523%0.226CC..Hα-helixtrans-62.6-29.8179.9-173.6-97.4000112.1L1123 A1150 L1151 D1154 D1158 L1159 R1160 Y1220L1123-F1156 HydrophobicContact CD1-CZ 4.13Å; L1123-F1156 HydrophobicContact CD2-CE1 3.96Å; L1123-F1156 HydrophobicContact CD2-CZ 4.16Å; A1150-F1156 VanDerWaalsContact O-CB 3.3Å; A1150-F1156 WeakPolarHBondContact O-CB 3.47Å; A1150-F1156 VanDerWaalsContact O-CD2 3.29Å; A1150-F1156 WeakPolarHBondContact O-CD2 3.49Å; A1150-F1156 WeakPolarHBondContact O-CG 3.37Å; L1151-F1156 HydrophobicContact CD2-CD1 4.15Å; L1151-F1156 HydrophobicContact CD2-CD2 4.34Å; L1151-F1156 HydrophobicContact CD2-CE1 3.5Å; L1151-F1156 VanDerWaalsContact CD2-CE1 3.5Å; L1151-F1156 HydrophobicContact CD2-CE2 3.71Å; L1151-F1156 HydrophobicContact CD2-CZ 3.26Å; D1154-F1156 VanDerWaalsContact C-N 3.27Å; D1154-F1156 PolarHBondContact O-N 2.99Å; F1156-D1158 VanDerWaalsContact C-N 3.28Å; F1156-D1158 PolarHBondContact O-N 2.87Å; F1156-L1159 HydrophobicContact CD2-CD2 4.26Å; F1156-L1159 HydrophobicContact CE2-CD2 4.07Å; F1156-R1160 PolarHBondContact O-N 3.04Å; F1156-Y1220 HydrophobicContact CD2-CE1 4.39Å
1157I89.6Confident91.5Very high66 Ų6647.7 Ų47.734%0.33822%0.218SC..Hα-helixtrans-64.8-34.1175.5-170.558.2000112.4D1154 R1155 R1160 K1161D1154-I1157 WeakPolarHBondContact O-CG2 3.43Å; R1155-I1157 PolarHBondContact O-N 3.38Å; I1157-R1160 PolarHBondContact O-N 3.47Å; I1157-K1161 WeakPolarHBondContact O-CG 3.43Å; I1157-K1161 PolarHBondContact O-N 3.07Å
1158D90.7Very high91.3Very high82 Ų8246.5 Ų46.544%0.43922%0.221SC..Hα-helixtrans-73-44.4-179.5-56-42.7000109.9R1155 F1156 R1160 K1161 E1162R1155-D1158 PolarHBondContact O-N 3.01Å; F1156-D1158 VanDerWaalsContact C-N 3.28Å; F1156-D1158 PolarHBondContact O-N 2.87Å; D1158-R1160 VanDerWaalsContact C-N 3.27Å; D1158-R1160 PolarHBondContact O-N 2.92Å; D1158-K1161 WeakPolarHBondContact O-CB 3.14Å; D1158-K1161 PolarHBondContact O-N 3.05Å; D1158-E1162 PolarHBondContact O-N 2.84Å
1159L93.3Very high90.8Very high9 Ų948 Ų485%0.04723%0.232CC..Hα-helixtrans-52.8-47.8168.9174.665.7000110.5R1155 F1156 K1161 E1162 L1163 Y1220R1155-L1159 PolarHBondContact O-N 2.72Å; F1156-L1159 HydrophobicContact CD2-CD2 4.26Å; F1156-L1159 HydrophobicContact CE2-CD2 4.07Å; L1159-K1161 VanDerWaalsContact C-N 3.28Å; L1159-K1161 PolarHBondContact O-N 2.99Å; L1159-E1162 PolarHBondContact O-N 3.08Å; L1159-L1163 HydrophobicContact CD1-CD1 4.12Å; L1159-L1163 HydrophobicContact CD1-CD2 4.07Å; L1159-L1163 HydrophobicContact CD1-CG 3.87Å; L1159-L1163 HydrophobicContact CG-CD1 4.06Å; L1159-L1163 HydrophobicContact CG-CG 4.17Å; L1159-L1163 WeakPolarHBondContact O-CB 3.44Å; L1159-L1163 VanDerWaalsContact O-CG 3.26Å; L1159-L1163 WeakPolarHBondContact O-CG 3.25Å; L1159-L1163 PolarHBondContact O-N 3Å; L1159-Y1220 HydrophobicContact CB-CD2 3.89Å; L1159-Y1220 HydrophobicContact CB-CE2 4.29Å; L1159-Y1220 HydrophobicContact CB-CG 4.28Å; L1159-Y1220 HydrophobicContact CD1-CG 4.44Å; L1159-Y1220 HydrophobicContact CD2-CD1 3.78Å; L1159-Y1220 HydrophobicContact CD2-CD2 4.13Å; L1159-Y1220 HydrophobicContact CD2-CE1 4.25Å; L1159-Y1220 HydrophobicContact CD2-CG 3.72Å; L1159-Y1220 HydrophobicContact CG-CD2 4.47Å; L1159-Y1220 HydrophobicContact CG-CG 4.36Å
1160R91Very high90Very high61 Ų6154 Ų5423%0.2326%0.258CS..Hα-helixtrans-61.2-35.7-179.9-168.3177.171.8176.25.8112.9F1156 I1157 D1158 R1164F1156-R1160 PolarHBondContact O-N 3.04Å; I1157-R1160 PolarHBondContact O-N 3.47Å; D1158-R1160 VanDerWaalsContact C-N 3.27Å; D1158-R1160 PolarHBondContact O-N 2.92Å; R1160-R1164 WeakPolarHBondContact O-CG 3.45Å; R1160-R1164 PolarHBondContact O-N 3.2Å
1161K91.2Very high88.9Confident126 Ų12658.2 Ų58.255%0.54828%0.276SS..Hα-helixtrans-69.9-45.8175.4-72.6174.2-179.2174.50111I1157 D1158 L1159 L1163 R1164 Q1165I1157-K1161 WeakPolarHBondContact O-CG 3.43Å; I1157-K1161 PolarHBondContact O-N 3.07Å; D1158-K1161 WeakPolarHBondContact O-CB 3.14Å; D1158-K1161 PolarHBondContact O-N 3.05Å; L1159-K1161 VanDerWaalsContact C-N 3.28Å; L1159-K1161 PolarHBondContact O-N 2.99Å; K1161-L1163 PolarHBondContact O-N 2.75Å; K1161-R1164 WeakPolarHBondContact O-CB 3.31Å; K1161-R1164 PolarHBondContact O-N 2.66Å; K1161-R1164 VanDerWaalsContact O-N 3.17Å; K1161-Q1165 PolarHBondContact O-N 2.85Å
1162E91.8Very high87.9Confident89 Ų8960.1 Ų60.142%0.41628%0.284SS..Hα-helixtrans-57.5-48.6176.7-172.2-172.7151.400111.1D1158 L1159 R1164 Q1165 I1166 S1216D1158-E1162 PolarHBondContact O-N 2.84Å; L1159-E1162 PolarHBondContact O-N 3.08Å; E1162-R1164 VanDerWaalsContact C-N 3.3Å; E1162-R1164 PolarHBondContact O-N 3.08Å; E1162-Q1165 WeakPolarHBondContact O-CB 3.34Å; E1162-Q1165 PolarHBondContact O-N 2.91Å; E1162-Q1165 VanDerWaalsContact O-N 3.11Å; E1162-I1166 HydrophobicContact CG-CD1 4.27Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.31Å; E1162-I1166 PolarHBondContact O-N 3.22Å; E1162-S1216 WeakPolarHBondContact OE1-CB 3.43Å; E1162-S1216 PolarHBondContact OE1-OG 3.35Å
1163L91.6Very high86.3Confident36 Ų3668.9 Ų68.919%0.18833%0.325CS..Hα-helixtrans-60.8-37.6176.9-65-174.7000112.5L1159 K1161 I1166 L1167 V1213L1159-L1163 HydrophobicContact CD1-CD1 4.12Å; L1159-L1163 HydrophobicContact CD1-CD2 4.07Å; L1159-L1163 HydrophobicContact CD1-CG 3.87Å; L1159-L1163 HydrophobicContact CG-CD1 4.06Å; L1159-L1163 HydrophobicContact CG-CG 4.17Å; L1159-L1163 WeakPolarHBondContact O-CB 3.44Å; L1159-L1163 VanDerWaalsContact O-CG 3.26Å; L1159-L1163 WeakPolarHBondContact O-CG 3.25Å; L1159-L1163 PolarHBondContact O-N 3Å; K1161-L1163 PolarHBondContact O-N 2.75Å; L1163-I1166 HydrophobicContact CD2-CD1 4.36Å; L1163-L1167 VanDerWaalsContact O-CG 3.27Å; L1163-L1167 WeakPolarHBondContact O-CG 3.46Å; L1163-L1167 PolarHBondContact O-N 3.06Å; L1163-V1213 HydrophobicContact CD1-CG1 4.49Å; L1163-V1213 HydrophobicContact CD2-CB 4.2Å; L1163-V1213 HydrophobicContact CD2-CG1 3.93Å; L1163-V1213 HydrophobicContact CD2-CG2 4.17Å
1164R90Very high85.2Confident150 Ų15076 Ų7657%0.56636%0.363SS*.Hα-helixtrans-67.5-41.9174-77177.6-179.2176.8-2.2111.8R1160 K1161 E1162 I1166 L1167 A1168R1160-R1164 WeakPolarHBondContact O-CG 3.45Å; R1160-R1164 PolarHBondContact O-N 3.2Å; K1161-R1164 WeakPolarHBondContact O-CB 3.31Å; K1161-R1164 PolarHBondContact O-N 2.66Å; K1161-R1164 VanDerWaalsContact O-N 3.17Å; E1162-R1164 VanDerWaalsContact C-N 3.3Å; E1162-R1164 PolarHBondContact O-N 3.08Å; R1164-I1166 VanDerWaalsContact C-N 3.32Å; R1164-I1166 PolarHBondContact O-N 3.4Å; R1164-L1167 PolarHBondContact O-N 3.2Å; R1164-L1167 VanDerWaalsContact O-N 3.13Å; R1164-A1168 WeakPolarHBondContact O-CB 3.43Å; R1164-A1168 PolarHBondContact O-N 3.33Å
1165Q89.4Confident84.3Confident142 Ų14278.9 Ų78.966%0.66438%0.378SS*.Hα-helixtrans-62.7-40.7178.2-173174.8-0.500111.4K1161 E1162 L1167 A1168 S1169K1161-Q1165 PolarHBondContact O-N 2.85Å; E1162-Q1165 WeakPolarHBondContact O-CB 3.34Å; E1162-Q1165 PolarHBondContact O-N 2.91Å; E1162-Q1165 VanDerWaalsContact O-N 3.11Å; Q1165-L1167 VanDerWaalsContact C-N 3.28Å; Q1165-L1167 PolarHBondContact O-N 3.2Å; Q1165-A1168 PolarHBondContact O-N 3.35Å; Q1165-S1169 WeakPolarHBondContact O-CB 3.31Å; Q1165-S1169 PolarHBondContact O-N 3.44Å; Q1165-S1169 PolarHBondContact O-OG 3.29Å
1166I88.1Confident83.7Confident25 Ų2579.6 Ų79.613%0.12839%0.386CS..Hα-helixtrans-58.8-40.1173.1-69.6166.4000111.2E1162 L1163 R1164 A1168 S1169 Y1209 L1212 V1213E1162-I1166 HydrophobicContact CG-CD1 4.27Å; E1162-I1166 WeakPolarHBondContact O-CG1 3.31Å; E1162-I1166 PolarHBondContact O-N 3.22Å; L1163-I1166 HydrophobicContact CD2-CD1 4.36Å; R1164-I1166 VanDerWaalsContact C-N 3.32Å; R1164-I1166 PolarHBondContact O-N 3.4Å; I1166-A1168 VanDerWaalsContact C-N 3.35Å; I1166-S1169 PolarHBondContact O-OG 3.24Å; I1166-Y1209 HydrophobicContact CG2-CD1 4.15Å; I1166-Y1209 WeakPolarHBondContact O-CD1 3.49Å; I1166-Y1209 WeakPolarHBondContact O-CE1 3.19Å; I1166-L1212 HydrophobicContact CG2-CB 3.75Å; I1166-L1212 HydrophobicContact CG2-CD1 4.13Å; I1166-V1213 HydrophobicContact CG2-CG2 4.15Å
1167L87.6Confident83.2Confident50 Ų5078.5 Ų78.526%0.26238%0.381SS..Hα-helixtrans-77.3-23179.8-64.5171.4000113.3L1163 R1164 Q1165 I1178 E1179 F1204 V1213L1163-L1167 VanDerWaalsContact O-CG 3.27Å; L1163-L1167 WeakPolarHBondContact O-CG 3.46Å; L1163-L1167 PolarHBondContact O-N 3.06Å; R1164-L1167 PolarHBondContact O-N 3.2Å; R1164-L1167 VanDerWaalsContact O-N 3.13Å; Q1165-L1167 VanDerWaalsContact C-N 3.28Å; Q1165-L1167 PolarHBondContact O-N 3.2Å; L1167-I1178 HydrophobicContact CD2-CB 4.41Å; L1167-I1178 HydrophobicContact CD2-CD1 3.63Å; L1167-I1178 PolarHBondContact O-N 2.76Å; L1167-E1179 PolarHBondContact O-N 2.84Å; L1167-F1204 HydrophobicContact CD2-CD2 3.95Å; L1167-F1204 HydrophobicContact CD2-CE2 3.92Å; L1167-V1213 HydrophobicContact CD2-CG2 4.38Å
1168A86.4Confident83Confident34 Ų3476.5 Ų76.528%0.28137%0.371SS..Hα-helixtrans-83.8-35.1178.100000112.3R1164 Q1165 I1166 S1177 E1179R1164-A1168 WeakPolarHBondContact O-CB 3.43Å; R1164-A1168 PolarHBondContact O-N 3.33Å; Q1165-A1168 PolarHBondContact O-N 3.35Å; I1166-A1168 VanDerWaalsContact C-N 3.35Å; A1168-S1177 WeakPolarHBondContact O-CB 3.37Å; A1168-S1177 PolarHBondContact O-OG 3.18Å; A1168-E1179 WeakPolarHBondContact CB-OE2 3.49Å
1169S83.4Confident82.7Confident32 Ų3277.4 Ų77.422%0.22437%0.373CS..SBendtrans-69147-178.362.20000111.6Q1165 I1166 E1171 S1177 Y1209Q1165-S1169 WeakPolarHBondContact O-CB 3.31Å; Q1165-S1169 PolarHBondContact O-N 3.44Å; Q1165-S1169 PolarHBondContact O-OG 3.29Å; I1166-S1169 PolarHBondContact O-OG 3.24Å; S1169-E1171 WeakPolarHBondContact CB-OE1 3.49Å; S1169-E1171 PolarHBondContact O-N 3.17Å; S1169-E1171 WeakPolarHBondContact OG-CG 3.13Å; S1169-E1171 PolarHBondContact OG-OE1 3.21Å; S1169-S1177 WeakPolarHBondContact O-CB 3.41Å; S1169-Y1209 WeakPolarHBondContact O-CE1 3.47Å; S1169-Y1209 PolarHBondContact O-OH 3.42Å
1170K76.5Confident82.3Confident125 Ų12581.3 Ų81.354%0.54339%0.39SS..  trans-90.795.1174.5-171-178.2-177.7-176.80108.5L1175K1170-L1175 WeakPolarHBondContact CE-O 3.43Å
1171E70.9Confident82Confident100 Ų10078.8 Ų78.847%0.46738%0.382SS..  trans-94.1-17.7-175.5-61.5-68.6155.300113.4S1169 I1208 Y1209 L1212S1169-E1171 WeakPolarHBondContact CB-OE1 3.49Å; S1169-E1171 PolarHBondContact O-N 3.17Å; S1169-E1171 WeakPolarHBondContact OG-CG 3.13Å; S1169-E1171 PolarHBondContact OG-OE1 3.21Å; E1171-I1208 HydrophobicContact CB-CD1 3.55Å; E1171-I1208 HydrophobicContact CB-CG1 4.31Å; E1171-Y1209 HydrophobicContact CB-CE1 4.09Å; E1171-Y1209 HydrophobicContact CG-CE1 3.87Å; E1171-Y1209 PolarHBondContact N-OH 3.32Å; E1171-L1212 HydrophobicContact CG-CD1 4.07Å
1172E71.9Confident81.6Confident50 Ų5074.6 Ų74.623%0.23437%0.371CS..SBendtrans-110129.4176.2-71.1179.5-176.700111D1174 L1175 I1208E1172-D1174 PolarHBondContact O-N 3.38Å; E1172-L1175 HydrophobicContact CB-CB 4.32Å; E1172-L1175 WeakPolarHBondContact OE2-CD1 3.37Å; E1172-I1208 HydrophobicContact CG-CD1 3.6Å; E1172-I1208 HydrophobicContact CG-CG1 3.88Å; E1172-I1208 WeakPolarHBondContact OE1-CG1 3.36Å; E1172-I1208 WeakPolarHBondContact OE1-CG2 3.44Å; E1172-I1208 PolarHBondContact OE1-N 2.98Å; E1172-I1208 VanDerWaalsContact OE1-N 3.17Å
1173E60.6Low81.3Confident185 Ų18574.9 Ų74.986%0.86437%0.372SS*.THydrogen-bonded Turntrans-60.9135.6170.4-72.3-174.8159.200108.9L1175E1173-L1175 PolarHBondContact O-N 3.06Å
1174D69.3Low80.9Confident154 Ų15475.7 Ų75.782%0.82437%0.374SS*.THydrogen-bonded Turntrans71.5-0.5-179.4-53.9-34.5000119.3E1172E1172-D1174 PolarHBondContact O-N 3.38Å
1175L73.1Confident80.6Confident95 Ų9569.6 Ų69.650%0.49735%0.353SS..SBendtrans-115.7136.2174.2-73.5165.9000112.8K1170 E1172 E1173K1170-L1175 WeakPolarHBondContact CE-O 3.43Å; E1172-L1175 HydrophobicContact CB-CB 4.32Å; E1172-L1175 WeakPolarHBondContact OE2-CD1 3.37Å; E1173-L1175 PolarHBondContact O-N 3.06Å
1176P77.6Confident80.3Confident37 Ų3769.9 Ų69.924%0.2435%0.354CS..  trans-64.4153.4173.626.9-34.1000111.6Q1180 L1181P1176-Q1180 HydrophobicContact CB-CB 4.01Å; P1176-L1181 HydrophobicContact CB-CD2 4.32Å; P1176-L1181 HydrophobicContact CB-CG 4.12Å; P1176-L1181 HydrophobicContact CG-CD1 4.24Å; P1176-L1181 HydrophobicContact CG-CD2 3.43Å; P1176-L1181 VanDerWaalsContact CG-CD2 3.43Å; P1176-L1181 HydrophobicContact CG-CG 3.63Å
1177S83.8Confident80.2Confident1 Ų173.9 Ų73.91%0.00738%0.376CS..  trans-66.8163.8174.373.10000111.5A1168 S1169 E1179 Q1180 L1181A1168-S1177 WeakPolarHBondContact O-CB 3.37Å; A1168-S1177 PolarHBondContact O-OG 3.18Å; S1169-S1177 WeakPolarHBondContact O-CB 3.41Å; S1177-E1179 VanDerWaalsContact C-N 3.26Å; S1177-E1179 PolarHBondContact O-N 3.4Å; S1177-Q1180 PolarHBondContact O-N 3.09Å; S1177-Q1180 VanDerWaalsContact OG-CG 3.3Å; S1177-Q1180 WeakPolarHBondContact OG-CG 3.38Å; S1177-Q1180 PolarHBondContact OG-N 2.84Å; S1177-L1181 WeakPolarHBondContact O-CG 3.32Å; S1177-L1181 PolarHBondContact O-N 2.84Å
1178I84.6Confident79.7Confident23 Ų2378.5 Ų78.512%0.11840%0.396CS..Hα-helixtrans-64.1-36.2179.8-71.3174.2000110.9L1167 L1181 A1182 F1204 Y1209L1167-I1178 HydrophobicContact CD2-CB 4.41Å; L1167-I1178 HydrophobicContact CD2-CD1 3.63Å; L1167-I1178 PolarHBondContact O-N 2.76Å; I1178-L1181 PolarHBondContact O-N 2.92Å; I1178-A1182 WeakPolarHBondContact O-CB 3.33Å; I1178-A1182 PolarHBondContact O-N 2.93Å; I1178-F1204 HydrophobicContact CD1-CB 3.89Å; I1178-F1204 HydrophobicContact CD1-CD2 3.61Å; I1178-F1204 HydrophobicContact CD1-CG 4.24Å; I1178-Y1209 HydrophobicContact CD1-CD2 3.46Å; I1178-Y1209 VanDerWaalsContact CD1-CD2 3.46Å; I1178-Y1209 HydrophobicContact CD1-CE2 4.2Å; I1178-Y1209 HydrophobicContact CD1-CG 3.74Å; I1178-Y1209 HydrophobicContact CG1-CD2 3.78Å; I1178-Y1209 HydrophobicContact CG1-CE2 4.02Å; I1178-Y1209 HydrophobicContact CG1-CG 4.4Å
1179E84.2Confident79.3Confident102 Ų10283.4 Ų83.448%0.47741%0.413SS..Hα-helixtrans-65.7-42.7174.1-173.2169.8-148.600111.8L1167 A1168 S1177 A1182 H1183L1167-E1179 PolarHBondContact O-N 2.84Å; A1168-E1179 WeakPolarHBondContact CB-OE2 3.49Å; S1177-E1179 VanDerWaalsContact C-N 3.26Å; S1177-E1179 PolarHBondContact O-N 3.4Å; E1179-A1182 WeakPolarHBondContact O-CB 3.39Å; E1179-A1182 PolarHBondContact O-N 3.07Å; E1179-H1183 PolarHBondContact O-CD2 2.9Å; E1179-H1183 VanDerWaalsContact O-CD2 3.26Å; E1179-H1183 PolarHBondContact O-N 2.67Å
1180Q84.4Confident79Confident90 Ų9084.2 Ų84.242%0.42142%0.415SS..Hα-helixtrans-62.2-44.2174.7-73.6171.1-11.700111.7P1176 S1177 A1182 H1183 Q1184P1176-Q1180 HydrophobicContact CB-CB 4.01Å; S1177-Q1180 PolarHBondContact O-N 3.09Å; S1177-Q1180 VanDerWaalsContact OG-CG 3.3Å; S1177-Q1180 WeakPolarHBondContact OG-CG 3.38Å; S1177-Q1180 PolarHBondContact OG-N 2.84Å; Q1180-A1182 VanDerWaalsContact C-N 3.29Å; Q1180-A1182 PolarHBondContact O-N 2.92Å; Q1180-H1183 PolarHBondContact O-N 3.08Å; Q1180-Q1184 WeakPolarHBondContact O-CB 3.33Å; Q1180-Q1184 WeakPolarHBondContact O-CG 3.21Å; Q1180-Q1184 PolarHBondContact O-N 3.24Å
1181L84.5Confident79.1Confident9 Ų984.4 Ų84.45%0.04742%0.421CS..Hα-helixtrans-60.5-39.8174.9-76.3169.9000111.8P1176 S1177 I1178 Q1184 I1185 I1190 L1200 V1203P1176-L1181 HydrophobicContact CB-CD2 4.32Å; P1176-L1181 HydrophobicContact CB-CG 4.12Å; P1176-L1181 HydrophobicContact CG-CD1 4.24Å; P1176-L1181 HydrophobicContact CG-CD2 3.43Å; P1176-L1181 VanDerWaalsContact CG-CD2 3.43Å; P1176-L1181 HydrophobicContact CG-CG 3.63Å; S1177-L1181 WeakPolarHBondContact O-CG 3.32Å; S1177-L1181 PolarHBondContact O-N 2.84Å; I1178-L1181 PolarHBondContact O-N 2.92Å; L1181-Q1184 PolarHBondContact O-N 2.9Å; L1181-I1185 WeakPolarHBondContact O-CD1 3.34Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.37Å; L1181-I1185 PolarHBondContact O-N 2.74Å; L1181-I1190 HydrophobicContact CD2-CD1 3.9Å; L1181-L1200 HydrophobicContact CB-CD2 3.81Å; L1181-V1203 HydrophobicContact CD1-CG1 3.86Å
1182A84.3Confident79.4Confident38 Ų3881 Ų8131%0.31441%0.408SS..Hα-helixtrans-63.1-45176.300000111.5I1178 E1179 Q1180 I1185 E1186 L1200I1178-A1182 WeakPolarHBondContact O-CB 3.33Å; I1178-A1182 PolarHBondContact O-N 2.93Å; E1179-A1182 WeakPolarHBondContact O-CB 3.39Å; E1179-A1182 PolarHBondContact O-N 3.07Å; Q1180-A1182 VanDerWaalsContact C-N 3.29Å; Q1180-A1182 PolarHBondContact O-N 2.92Å; A1182-I1185 PolarHBondContact O-N 3.27Å; A1182-E1186 PolarHBondContact O-N 3.39Å; A1182-L1200 HydrophobicContact CB-CD1 4.16Å
1183H84.7Confident79.6Confident95 Ų9586 Ų8644%0.4444%0.442SS..Hα-helixtrans-63.5-44.5174.8-77.1-57000112.5E1179 Q1180 I1185 E1186 D1187E1179-H1183 PolarHBondContact O-CD2 2.9Å; E1179-H1183 VanDerWaalsContact O-CD2 3.26Å; E1179-H1183 PolarHBondContact O-N 2.67Å; Q1180-H1183 PolarHBondContact O-N 3.08Å; H1183-I1185 VanDerWaalsContact C-N 3.25Å; H1183-I1185 PolarHBondContact O-N 3.47Å; H1183-E1186 CarbonylContact O-C 3.58Å; H1183-E1186 PolarHBondContact O-N 3.45Å; H1183-D1187 WeakPolarHBondContact O-CB 3.36Å; H1183-D1187 PolarHBondContact O-N 2.91Å
1184Q84.2Confident80.7Confident52 Ų5279.7 Ų79.724%0.24341%0.413CS..Hα-helixtrans-62.4-31.6177.6-73177.4-24.300113.1Q1180 L1181 E1188 E1189 I1190Q1180-Q1184 WeakPolarHBondContact O-CB 3.33Å; Q1180-Q1184 WeakPolarHBondContact O-CG 3.21Å; Q1180-Q1184 PolarHBondContact O-N 3.24Å; L1181-Q1184 PolarHBondContact O-N 2.9Å; Q1184-E1188 PolarHBondContact O-N 3.29Å; Q1184-E1189 HydrophobicContact CB-CB 4.25Å; Q1184-E1189 WeakPolarHBondContact CG-OE2 3.26Å; Q1184-E1189 WeakPolarHBondContact O-CA 3.2Å; Q1184-E1189 WeakPolarHBondContact O-CB 3.49Å; Q1184-E1189 PolarHBondContact O-N 2.84Å; Q1184-I1190 HydrophobicContact CB-CD1 3.87Å; Q1184-I1190 HydrophobicContact CB-CG1 4.07Å; Q1184-I1190 HydrophobicContact CG-CD1 4.49Å; Q1184-I1190 PolarHBondContact O-N 3.32Å
1185I83.9Confident81.4Confident22 Ų2279.6 Ų79.611%0.11341%0.405CS..Hα-helixtrans-76.5-36.1173.8-63.9161.8000111L1181 A1182 H1183 E1188 I1190 P1192 P1196 Y1199 L1200L1181-I1185 WeakPolarHBondContact O-CD1 3.34Å; L1181-I1185 WeakPolarHBondContact O-CG1 3.37Å; L1181-I1185 PolarHBondContact O-N 2.74Å; A1182-I1185 PolarHBondContact O-N 3.27Å; H1183-I1185 VanDerWaalsContact C-N 3.25Å; H1183-I1185 PolarHBondContact O-N 3.47Å; I1185-E1188 PolarHBondContact O-N 3.06Å; I1185-I1190 HydrophobicContact CG1-CB 4.28Å; I1185-I1190 HydrophobicContact CG1-CG2 4.44Å; I1185-P1192 HydrophobicContact CG2-CG 4.49Å; I1185-P1196 HydrophobicContact CG2-CB 3.7Å; I1185-P1196 HydrophobicContact CG2-CG 3.75Å; I1185-Y1199 HydrophobicContact CD1-CD1 3.77Å; I1185-Y1199 HydrophobicContact CD1-CE1 4.16Å; I1185-L1200 HydrophobicContact CD1-CD1 4.37Å; I1185-L1200 HydrophobicContact CD1-CD2 3.93Å; I1185-L1200 HydrophobicContact CD1-CG 3.97Å
1186E83.3Confident81.8Confident149 Ų14978.2 Ų78.270%0.69640%0.401SS*.Hα-helixtrans-68.6-39.1176.8-171169.3-158.600112.2A1182 H1183 E1188A1182-E1186 PolarHBondContact O-N 3.39Å; H1183-E1186 CarbonylContact O-C 3.58Å; H1183-E1186 PolarHBondContact O-N 3.45Å; E1186-E1188 PolarHBondContact O-N 3.43Å
1187D84.4Confident81.9Confident109 Ų10984.3 Ų84.358%0.58342%0.42SS*.THydrogen-bonded Turntrans-80.26.3176.7-67-28.4000113H1183 E1189H1183-D1187 WeakPolarHBondContact O-CB 3.36Å; H1183-D1187 PolarHBondContact O-N 2.91Å; D1187-E1189 HydrophobicContact CB-CG 4.13Å; D1187-E1189 PolarHBondContact O-N 2.84Å; D1187-E1189 VanDerWaalsContact O-N 3.11Å
1188E78.8Confident81.9Confident147 Ų14789.7 Ų89.769%0.68745%0.445SS*.THydrogen-bonded Turntrans58.316.5-178-55.8-174.7169.800114.9Q1184 I1185 E1186 I1190Q1184-E1188 PolarHBondContact O-N 3.29Å; I1185-E1188 PolarHBondContact O-N 3.06Å; E1186-E1188 PolarHBondContact O-N 3.43Å; E1188-I1190 VanDerWaalsContact C-N 3.3Å; E1188-I1190 PolarHBondContact O-N 2.82Å
1189E77.6Confident82Confident137 Ų13791 Ų9164%0.6445%0.448SS*.SBendtrans-67.1-32.6174.5-61.2-167.8161.400111.8Q1184 D1187Q1184-E1189 HydrophobicContact CB-CB 4.25Å; Q1184-E1189 WeakPolarHBondContact CG-OE2 3.26Å; Q1184-E1189 WeakPolarHBondContact O-CA 3.2Å; Q1184-E1189 WeakPolarHBondContact O-CB 3.49Å; Q1184-E1189 PolarHBondContact O-N 2.84Å; D1187-E1189 HydrophobicContact CB-CG 4.13Å; D1187-E1189 PolarHBondContact O-N 2.84Å; D1187-E1189 VanDerWaalsContact O-N 3.11Å
1190I77Confident82.1Confident49 Ų4987.9 Ų87.925%0.25144%0.435SS..  trans-122.5120.8174.8-60.9176.2000109.4L1181 Q1184 I1185 E1188 P1192L1181-I1190 HydrophobicContact CD2-CD1 3.9Å; Q1184-I1190 HydrophobicContact CB-CD1 3.87Å; Q1184-I1190 HydrophobicContact CB-CG1 4.07Å; Q1184-I1190 HydrophobicContact CG-CD1 4.49Å; Q1184-I1190 PolarHBondContact O-N 3.32Å; I1185-I1190 HydrophobicContact CG1-CB 4.28Å; I1185-I1190 HydrophobicContact CG1-CG2 4.44Å; E1188-I1190 VanDerWaalsContact C-N 3.3Å; E1188-I1190 PolarHBondContact O-N 2.82Å; I1190-P1192 WeakPolarHBondContact O-CD 3.42Å
1191N77.8Confident82.2Confident128 Ų12889.7 Ų89.768%0.68444%0.441SS*.  trans-10791.6174.5-82.4-55000110.6
1192P77.3Confident82.4Confident28 Ų2893.5 Ų93.518%0.18246%0.455CS..  trans-65.3145.7179.226.7-32.8000111.2I1185 I1190 E1194 P1196 Y1199I1185-P1192 HydrophobicContact CG2-CG 4.49Å; I1190-P1192 WeakPolarHBondContact O-CD 3.42Å; P1192-E1194 PolarHBondContact O-N 2.88Å; P1192-P1196 HydrophobicContact CG-CG 4.28Å; P1192-Y1199 HydrophobicContact CB-CD1 4.35Å; P1192-Y1199 HydrophobicContact CB-CD2 3.87Å; P1192-Y1199 HydrophobicContact CB-CG 3.78Å; P1192-Y1199 HydrophobicContact CG-CG 4.41Å
1193T75.6Confident82.5Confident155 Ų15593.2 Ų93.295%0.95145%0.449SS*.SBendtrans-69.5-19177.242.30000113.3
1194E84.3Confident82.6Confident53 Ų5391.3 Ų91.325%0.24844%0.44CS..SBendtrans-109.5172.2174.172.5-158.8143.600111P1192 Q1198 Y1199 R1202P1192-E1194 PolarHBondContact O-N 2.88Å; E1194-Q1198 HydrophobicContact CG-CB 4.3Å; E1194-Y1199 VanDerWaalsContact OE1-CA 3.23Å; E1194-Y1199 WeakPolarHBondContact OE1-CA 3.23Å; E1194-Y1199 WeakPolarHBondContact OE1-CB 3.34Å; E1194-Y1199 WeakPolarHBondContact OE1-CD2 3.4Å; E1194-R1202 IonicContact OE1-CZ 3.41Å; E1194-R1202 IonicContact OE1-NE 3.56Å; E1194-R1202 IonicContact OE1-NH1 2.55Å; E1194-R1202 PolarHBondContact OE1-NH1 3.04Å; E1194-R1202 IonicContact OE1-NH2 3.13Å; E1194-R1202 PolarHBondContact OE1-NH2 3.39Å; E1194-R1202 IonicContact OE2-CZ 2.71Å; E1194-R1202 IonicContact OE2-NH1 3.45Å; E1194-R1202 PolarHBondContact OE2-NH1 3.45Å
1195K83.3Confident82.8Confident153 Ų15393.6 Ų93.667%0.66545%0.451SS*.  trans-57.2133.1178-71.8-177.8177.3179.90109.9R1197 Q1198 Y1199K1195-R1197 PolarHBondContact O-N 3.27Å; K1195-Q1198 HydrophobicContact CB-CG 4.39Å; K1195-Q1198 WeakPolarHBondContact O-CA 3.44Å; K1195-Q1198 WeakPolarHBondContact O-CB 3.25Å; K1195-Q1198 PolarHBondContact O-N 3.32Å; K1195-Y1199 PolarHBondContact O-N 3.2Å; K1195-Y1199 VanDerWaalsContact O-N 3.08Å
1196P81.6Confident83Confident65 Ų6599.5 Ų99.542%0.42248%0.478SS..Hα-helixtrans-42.1-43.3-179.9-38.539.5000115.1I1185 P1192 Y1199 L1200I1185-P1196 HydrophobicContact CG2-CB 3.7Å; I1185-P1196 HydrophobicContact CG2-CG 3.75Å; P1192-P1196 HydrophobicContact CG-CG 4.28Å; P1196-Y1199 WeakPolarHBondContact O-CB 3.28Å; P1196-Y1199 PolarHBondContact O-N 3.37Å; P1196-L1200 WeakPolarHBondContact O-CG 3.5Å; P1196-L1200 PolarHBondContact O-N 2.91Å
1197R80.9Confident83.1Confident165 Ų16593.1 Ų93.162%0.62345%0.45SS*.Hα-helixtrans-66.3-37.8178.9-170.9178.2-178.3175.36.5114K1195 K1201K1195-R1197 PolarHBondContact O-N 3.27Å; R1197-K1201 VanDerWaalsContact O-CB 3.31Å; R1197-K1201 WeakPolarHBondContact O-CB 3.22Å; R1197-K1201 PolarHBondContact O-N 2.81Å; R1197-K1201 VanDerWaalsContact O-N 3.07Å
1198Q83.9Confident83.2Confident114 Ų11491.2 Ų91.253%0.53344%0.439SS..Hα-helixtrans-71.1-39.4176.9-72.6175.8-30.800110.5E1194 K1195 K1201 R1202E1194-Q1198 HydrophobicContact CG-CB 4.3Å; K1195-Q1198 HydrophobicContact CB-CG 4.39Å; K1195-Q1198 WeakPolarHBondContact O-CA 3.44Å; K1195-Q1198 WeakPolarHBondContact O-CB 3.25Å; K1195-Q1198 PolarHBondContact O-N 3.32Å; Q1198-K1201 PolarHBondContact O-N 3.43Å; Q1198-R1202 PolarHBondContact O-N 3.45Å
1199Y86.4Confident83.6Confident50 Ų5084.5 Ų84.520%0.19641%0.407CS..Hα-helixtrans-57.9-55.9172.8177.9-96.9000111.6I1185 P1192 E1194 K1195 P1196 K1201 R1202 V1203I1185-Y1199 HydrophobicContact CD1-CD1 3.77Å; I1185-Y1199 HydrophobicContact CD1-CE1 4.16Å; P1192-Y1199 HydrophobicContact CB-CD1 4.35Å; P1192-Y1199 HydrophobicContact CB-CD2 3.87Å; P1192-Y1199 HydrophobicContact CB-CG 3.78Å; P1192-Y1199 HydrophobicContact CG-CG 4.41Å; E1194-Y1199 VanDerWaalsContact OE1-CA 3.23Å; E1194-Y1199 WeakPolarHBondContact OE1-CA 3.23Å; E1194-Y1199 WeakPolarHBondContact OE1-CB 3.34Å; E1194-Y1199 WeakPolarHBondContact OE1-CD2 3.4Å; K1195-Y1199 PolarHBondContact O-N 3.2Å; K1195-Y1199 VanDerWaalsContact O-N 3.08Å; P1196-Y1199 WeakPolarHBondContact O-CB 3.28Å; P1196-Y1199 PolarHBondContact O-N 3.37Å; Y1199-K1201 VanDerWaalsContact C-N 3.26Å; Y1199-K1201 PolarHBondContact O-N 2.93Å; Y1199-R1202 VanDerWaalsContact CD2-NH2 3.35Å; Y1199-R1202 PolarHBondContact O-N 2.96Å; Y1199-R1202 VanDerWaalsContact O-N 3.12Å; Y1199-V1203 HydrophobicContact CD1-CG2 4.26Å; Y1199-V1203 HydrophobicContact CE1-CG2 3.87Å; Y1199-V1203 HydrophobicContact CE2-CG2 4.15Å; Y1199-V1203 WeakPolarHBondContact O-CG2 3.48Å; Y1199-V1203 PolarHBondContact O-N 2.97Å
1200L86.2Confident84.2Confident38 Ų3881.6 Ų81.620%0.19939%0.392CS..Hα-helixtrans-59.1-37.6178.9-71.2172.5000112.4L1181 A1182 I1185 P1196 F1204L1181-L1200 HydrophobicContact CB-CD2 3.81Å; A1182-L1200 HydrophobicContact CB-CD1 4.16Å; I1185-L1200 HydrophobicContact CD1-CD1 4.37Å; I1185-L1200 HydrophobicContact CD1-CD2 3.93Å; I1185-L1200 HydrophobicContact CD1-CG 3.97Å; P1196-L1200 WeakPolarHBondContact O-CG 3.5Å; P1196-L1200 PolarHBondContact O-N 2.91Å; L1200-F1204 WeakPolarHBondContact O-CB 3.46Å; L1200-F1204 PolarHBondContact O-N 3.03Å
1201K86.4Confident84.9Confident127 Ų12783.7 Ų83.755%0.55241%0.408SS*.Hα-helixtrans-65.7-43.9176.1-176.2174.8173.3179.80111.9R1197 Q1198 Y1199 F1204 E1205R1197-K1201 VanDerWaalsContact O-CB 3.31Å; R1197-K1201 WeakPolarHBondContact O-CB 3.22Å; R1197-K1201 PolarHBondContact O-N 2.81Å; R1197-K1201 VanDerWaalsContact O-N 3.07Å; Q1198-K1201 PolarHBondContact O-N 3.43Å; Y1199-K1201 VanDerWaalsContact C-N 3.26Å; Y1199-K1201 PolarHBondContact O-N 2.93Å; K1201-F1204 PolarHBondContact O-N 2.95Å; K1201-E1205 WeakPolarHBondContact CE-OE1 3.11Å; K1201-E1205 IonicContact NZ-OE1 2.83Å; K1201-E1205 WeakPolarHBondContact O-CB 3.49Å; K1201-E1205 WeakPolarHBondContact O-CG 3.4Å; K1201-E1205 PolarHBondContact O-N 3.17Å
1202R88.4Confident85.4Confident89 Ų8980.3 Ų80.334%0.33639%0.389SS..Hα-helixtrans-62-48176-175.7-178.869-129-14.6110.6E1194 Q1198 Y1199 F1204 E1205 E1206E1194-R1202 IonicContact OE1-CZ 3.41Å; E1194-R1202 IonicContact OE1-NE 3.56Å; E1194-R1202 IonicContact OE1-NH1 2.55Å; E1194-R1202 PolarHBondContact OE1-NH1 3.04Å; E1194-R1202 IonicContact OE1-NH2 3.13Å; E1194-R1202 PolarHBondContact OE1-NH2 3.39Å; E1194-R1202 IonicContact OE2-CZ 2.71Å; E1194-R1202 IonicContact OE2-NH1 3.45Å; E1194-R1202 PolarHBondContact OE2-NH1 3.45Å; Q1198-R1202 PolarHBondContact O-N 3.45Å; Y1199-R1202 VanDerWaalsContact CD2-NH2 3.35Å; Y1199-R1202 PolarHBondContact O-N 2.96Å; Y1199-R1202 VanDerWaalsContact O-N 3.12Å; R1202-F1204 VanDerWaalsContact C-N 3.33Å; R1202-F1204 PolarHBondContact O-N 3.29Å; R1202-E1205 PolarHBondContact O-N 2.96Å; R1202-E1205 VanDerWaalsContact O-N 3.15Å; R1202-E1206 WeakPolarHBondContact CD-OE1 3.43Å; R1202-E1206 VanDerWaalsContact CG-CD 3.42Å; R1202-E1206 HydrophobicContact CG-CG 4.17Å; R1202-E1206 VanDerWaalsContact CG-OE1 3.23Å; R1202-E1206 WeakPolarHBondContact CG-OE1 3.41Å; R1202-E1206 IonicContact NE-OE2 2.72Å; R1202-E1206 WeakPolarHBondContact O-CB 3.33Å; R1202-E1206 WeakPolarHBondContact O-CG 3.31Å; R1202-E1206 PolarHBondContact O-N 3.37Å
1203V86.2Confident86.1Confident32 Ų3280.1 Ų80.119%0.19439%0.387CS..Hα-helixtrans-58-46.5177.71750000110.6L1181 Y1199 E1205 E1206 S1207L1181-V1203 HydrophobicContact CD1-CG1 3.86Å; Y1199-V1203 HydrophobicContact CD1-CG2 4.26Å; Y1199-V1203 HydrophobicContact CE1-CG2 3.87Å; Y1199-V1203 HydrophobicContact CE2-CG2 4.15Å; Y1199-V1203 WeakPolarHBondContact O-CG2 3.48Å; Y1199-V1203 PolarHBondContact O-N 2.97Å; V1203-E1205 PolarHBondContact O-N 3.42Å; V1203-E1206 PolarHBondContact O-N 2.77Å; V1203-S1207 WeakPolarHBondContact O-CB 3.43Å; V1203-S1207 PolarHBondContact O-N 3.33Å; V1203-S1207 PolarHBondContact O-OG 2.69Å; V1203-S1207 VanDerWaalsContact O-OG 3.05Å
1204F87.8Confident86.8Confident55 Ų5577.4 Ų77.424%0.24136%0.364CS..Hα-helixtrans-57.8-47175173.6-104.1000112.4L1167 I1178 L1200 K1201 R1202 E1206 S1207 K1210 V1213L1167-F1204 HydrophobicContact CD2-CD2 3.95Å; L1167-F1204 HydrophobicContact CD2-CE2 3.92Å; I1178-F1204 HydrophobicContact CD1-CB 3.89Å; I1178-F1204 HydrophobicContact CD1-CD2 3.61Å; I1178-F1204 HydrophobicContact CD1-CG 4.24Å; L1200-F1204 WeakPolarHBondContact O-CB 3.46Å; L1200-F1204 PolarHBondContact O-N 3.03Å; K1201-F1204 PolarHBondContact O-N 2.95Å; R1202-F1204 VanDerWaalsContact C-N 3.33Å; R1202-F1204 PolarHBondContact O-N 3.29Å; F1204-E1206 VanDerWaalsContact C-N 3.35Å; F1204-E1206 PolarHBondContact O-N 3.04Å; F1204-S1207 PolarHBondContact O-N 3.19Å; F1204-S1207 PolarHBondContact O-OG 3.44Å; F1204-K1210 HydrophobicContact CD1-CB 4.49Å; F1204-K1210 HydrophobicContact CE1-CB 4.08Å; F1204-K1210 HydrophobicContact CE1-CG 4.27Å; F1204-K1210 HydrophobicContact CE2-CB 4.38Å; F1204-K1210 HydrophobicContact CZ-CB 4.04Å; F1204-K1210 HydrophobicContact CZ-CG 4.44Å; F1204-K1210 WeakPolarHBondContact O-CB 3.42Å; F1204-V1213 HydrophobicContact CE2-CB 4.32Å; F1204-V1213 HydrophobicContact CE2-CG2 3.94Å; F1204-V1213 HydrophobicContact CZ-CB 4.15Å; F1204-V1213 HydrophobicContact CZ-CG1 4.29Å; F1204-V1213 HydrophobicContact CZ-CG2 4.24Å
1205E88.5Confident87.2Confident101 Ų10182.8 Ų82.847%0.47238%0.382SS..Hα-helixtrans-66.8-32.4-178.8-75.2175.317600113.9K1201 R1202 V1203K1201-E1205 WeakPolarHBondContact CE-OE1 3.11Å; K1201-E1205 IonicContact NZ-OE1 2.83Å; K1201-E1205 WeakPolarHBondContact O-CB 3.49Å; K1201-E1205 WeakPolarHBondContact O-CG 3.4Å; K1201-E1205 PolarHBondContact O-N 3.17Å; R1202-E1205 PolarHBondContact O-N 2.96Å; R1202-E1205 VanDerWaalsContact O-N 3.15Å; V1203-E1205 PolarHBondContact O-N 3.42Å
1206E86.8Confident87.6Confident145 Ų14575.8 Ų75.868%0.67835%0.352SS*.Hα-helixtrans-86.5-20.3179.9-69.5174.3174.800113.1R1202 V1203 F1204R1202-E1206 WeakPolarHBondContact CD-OE1 3.43Å; R1202-E1206 VanDerWaalsContact CG-CD 3.42Å; R1202-E1206 HydrophobicContact CG-CG 4.17Å; R1202-E1206 VanDerWaalsContact CG-OE1 3.23Å; R1202-E1206 WeakPolarHBondContact CG-OE1 3.41Å; R1202-E1206 IonicContact NE-OE2 2.72Å; R1202-E1206 WeakPolarHBondContact O-CB 3.33Å; R1202-E1206 WeakPolarHBondContact O-CG 3.31Å; R1202-E1206 PolarHBondContact O-N 3.37Å; V1203-E1206 PolarHBondContact O-N 2.77Å; F1204-E1206 VanDerWaalsContact C-N 3.35Å; F1204-E1206 PolarHBondContact O-N 3.04Å
1207S86.1Confident88Confident15 Ų1575 Ų7511%0.10535%0.347CS..SBendtrans-87.3168-178.769.80000114.6V1203 F1204 Y1209V1203-S1207 WeakPolarHBondContact O-CB 3.43Å; V1203-S1207 PolarHBondContact O-N 3.33Å; V1203-S1207 PolarHBondContact O-OG 2.69Å; V1203-S1207 VanDerWaalsContact O-OG 3.05Å; F1204-S1207 PolarHBondContact O-N 3.19Å; F1204-S1207 PolarHBondContact O-OG 3.44Å; S1207-Y1209 PolarHBondContact O-N 2.86Å; S1207-Y1209 WeakPolarHBondContact OG-CB 3.26Å; S1207-Y1209 VanDerWaalsContact OG-CD2 3.28Å; S1207-Y1209 WeakPolarHBondContact OG-CD2 3.32Å; S1207-Y1209 PolarHBondContact OG-N 3.1Å
1208I87.2Confident88.6Confident69 Ų6970.5 Ų70.535%0.35434%0.335SS..Hα-helixtrans-63.1-21.4170.663.1179.5000114.1E1171 E1172 K1210 T1211 L1212E1171-I1208 HydrophobicContact CB-CD1 3.55Å; E1171-I1208 HydrophobicContact CB-CG1 4.31Å; E1172-I1208 HydrophobicContact CG-CD1 3.6Å; E1172-I1208 HydrophobicContact CG-CG1 3.88Å; E1172-I1208 WeakPolarHBondContact OE1-CG1 3.36Å; E1172-I1208 WeakPolarHBondContact OE1-CG2 3.44Å; E1172-I1208 PolarHBondContact OE1-N 2.98Å; E1172-I1208 VanDerWaalsContact OE1-N 3.17Å; I1208-K1210 PolarHBondContact O-N 3.24Å; I1208-T1211 PolarHBondContact O-N 2.74Å; I1208-L1212 HydrophobicContact CG1-CD1 4.41Å; I1208-L1212 PolarHBondContact O-N 3.41Å; I1208-L1212 VanDerWaalsContact O-N 3.1Å
1209Y87.4Confident88.9Confident6 Ų669.2 Ų69.22%0.02433%0.331CS..Hα-helixtrans-57.6-36.5-177-64.6-68.7000112.1I1166 S1169 E1171 I1178 S1207 T1211 L1212 V1213I1166-Y1209 HydrophobicContact CG2-CD1 4.15Å; I1166-Y1209 WeakPolarHBondContact O-CD1 3.49Å; I1166-Y1209 WeakPolarHBondContact O-CE1 3.19Å; S1169-Y1209 WeakPolarHBondContact O-CE1 3.47Å; S1169-Y1209 PolarHBondContact O-OH 3.42Å; E1171-Y1209 HydrophobicContact CB-CE1 4.09Å; E1171-Y1209 HydrophobicContact CG-CE1 3.87Å; E1171-Y1209 PolarHBondContact N-OH 3.32Å; I1178-Y1209 HydrophobicContact CD1-CD2 3.46Å; I1178-Y1209 VanDerWaalsContact CD1-CD2 3.46Å; I1178-Y1209 HydrophobicContact CD1-CE2 4.2Å; I1178-Y1209 HydrophobicContact CD1-CG 3.74Å; I1178-Y1209 HydrophobicContact CG1-CD2 3.78Å; I1178-Y1209 HydrophobicContact CG1-CE2 4.02Å; I1178-Y1209 HydrophobicContact CG1-CG 4.4Å; S1207-Y1209 PolarHBondContact O-N 2.86Å; S1207-Y1209 WeakPolarHBondContact OG-CB 3.26Å; S1207-Y1209 VanDerWaalsContact OG-CD2 3.28Å; S1207-Y1209 WeakPolarHBondContact OG-CD2 3.32Å; S1207-Y1209 PolarHBondContact OG-N 3.1Å; Y1209-T1211 PolarHBondContact O-N 3.14Å; Y1209-L1212 PolarHBondContact O-N 3.47Å; Y1209-V1213 WeakPolarHBondContact O-CB 3.14Å; Y1209-V1213 VanDerWaalsContact O-CG2 3.29Å; Y1209-V1213 WeakPolarHBondContact O-CG2 3.2Å; Y1209-V1213 PolarHBondContact O-N 3.02Å
1210K89.9Confident89.1Confident76 Ų7667.8 Ų67.833%0.3333%0.326SS..Hα-helixtrans-57.5-49.2175176.8-179.9172.9-175.50111.9F1204 I1208 L1212 V1213 E1214F1204-K1210 HydrophobicContact CD1-CB 4.49Å; F1204-K1210 HydrophobicContact CE1-CB 4.08Å; F1204-K1210 HydrophobicContact CE1-CG 4.27Å; F1204-K1210 HydrophobicContact CE2-CB 4.38Å; F1204-K1210 HydrophobicContact CZ-CB 4.04Å; F1204-K1210 HydrophobicContact CZ-CG 4.44Å; F1204-K1210 WeakPolarHBondContact O-CB 3.42Å; I1208-K1210 PolarHBondContact O-N 3.24Å; K1210-L1212 VanDerWaalsContact C-N 3.33Å; K1210-L1212 PolarHBondContact O-N 3.1Å; K1210-V1213 PolarHBondContact O-N 3.1Å; K1210-E1214 WeakPolarHBondContact CE-OE1 3.33Å; K1210-E1214 HydrophobicContact CG-CG 4.45Å; K1210-E1214 WeakPolarHBondContact O-CB 3.48Å; K1210-E1214 WeakPolarHBondContact O-CG 3.17Å; K1210-E1214 PolarHBondContact O-N 2.97Å
1211T90.1Very high89.4Confident94 Ų9467.1 Ų67.158%0.57732%0.322SS*.Hα-helixtrans-64.9-39.3-178.6-53.50000111.1I1208 Y1209 R1215I1208-T1211 PolarHBondContact O-N 2.74Å; Y1209-T1211 PolarHBondContact O-N 3.14Å; T1211-R1215 VanDerWaalsContact O-CB 3.26Å; T1211-R1215 WeakPolarHBondContact O-CB 3.35Å; T1211-R1215 PolarHBondContact O-N 3.14Å
1212L89.9Confident89.4Confident56 Ų5666.4 Ų66.429%0.29332%0.321SS..Hα-helixtrans-65.3-45.6177.1-66.6175.6000112I1166 E1171 I1208 Y1209 K1210 R1215 S1216I1166-L1212 HydrophobicContact CG2-CB 3.75Å; I1166-L1212 HydrophobicContact CG2-CD1 4.13Å; E1171-L1212 HydrophobicContact CG-CD1 4.07Å; I1208-L1212 HydrophobicContact CG1-CD1 4.41Å; I1208-L1212 PolarHBondContact O-N 3.41Å; I1208-L1212 VanDerWaalsContact O-N 3.1Å; Y1209-L1212 PolarHBondContact O-N 3.47Å; K1210-L1212 VanDerWaalsContact C-N 3.33Å; K1210-L1212 PolarHBondContact O-N 3.1Å; L1212-R1215 PolarHBondContact O-N 3.16Å; L1212-S1216 WeakPolarHBondContact O-CB 3.46Å; L1212-S1216 PolarHBondContact O-N 3.02Å
1213V90.9Very high89.4Confident24 Ų2467.2 Ų67.215%0.14532%0.324CS..Hα-helixtrans-64.1-44.1177.11670000111.5L1163 I1166 L1167 F1204 Y1209 K1210 T1217L1163-V1213 HydrophobicContact CD1-CG1 4.49Å; L1163-V1213 HydrophobicContact CD2-CB 4.2Å; L1163-V1213 HydrophobicContact CD2-CG1 3.93Å; L1163-V1213 HydrophobicContact CD2-CG2 4.17Å; I1166-V1213 HydrophobicContact CG2-CG2 4.15Å; L1167-V1213 HydrophobicContact CD2-CG2 4.38Å; F1204-V1213 HydrophobicContact CE2-CB 4.32Å; F1204-V1213 HydrophobicContact CE2-CG2 3.94Å; F1204-V1213 HydrophobicContact CZ-CB 4.15Å; F1204-V1213 HydrophobicContact CZ-CG1 4.29Å; F1204-V1213 HydrophobicContact CZ-CG2 4.24Å; Y1209-V1213 WeakPolarHBondContact O-CB 3.14Å; Y1209-V1213 VanDerWaalsContact O-CG2 3.29Å; Y1209-V1213 WeakPolarHBondContact O-CG2 3.2Å; Y1209-V1213 PolarHBondContact O-N 3.02Å; K1210-V1213 PolarHBondContact O-N 3.1Å; V1213-T1217 WeakPolarHBondContact O-CB 3.41Å; V1213-T1217 PolarHBondContact O-N 3.11Å; V1213-T1217 PolarHBondContact O-OG1 3.49Å
1214E91.2Very high89.6Confident99 Ų9965.8 Ų65.846%0.46332%0.315SS..Hα-helixtrans-60.7-45.7175.8-76.7177.317800111.1K1210 T1217 L1218K1210-E1214 WeakPolarHBondContact CE-OE1 3.33Å; K1210-E1214 HydrophobicContact CG-CG 4.45Å; K1210-E1214 WeakPolarHBondContact O-CB 3.48Å; K1210-E1214 WeakPolarHBondContact O-CG 3.17Å; K1210-E1214 PolarHBondContact O-N 2.97Å; E1214-T1217 PolarHBondContact O-N 3.12Å; E1214-L1218 WeakPolarHBondContact O-CG 3.46Å; E1214-L1218 PolarHBondContact O-N 3.01Å
1215R91.1Very high89.6Confident166 Ų16669.4 Ų69.463%0.62633%0.328SS*.Hα-helixtrans-61.9-50.7177.9-177.9178.2178.4173.80.4112.2T1211 L1212 T1217 L1218 D1219T1211-R1215 VanDerWaalsContact O-CB 3.26Å; T1211-R1215 WeakPolarHBondContact O-CB 3.35Å; T1211-R1215 PolarHBondContact O-N 3.14Å; L1212-R1215 PolarHBondContact O-N 3.16Å; R1215-T1217 VanDerWaalsContact C-N 3.28Å; R1215-T1217 PolarHBondContact O-N 3.19Å; R1215-L1218 PolarHBondContact O-N 3.05Å; R1215-L1218 VanDerWaalsContact O-N 3.14Å; R1215-D1219 IonicContact NE-OD2 3.07Å; R1215-D1219 WeakPolarHBondContact O-CB 3.35Å; R1215-D1219 VanDerWaalsContact O-CG 3.3Å; R1215-D1219 PolarHBondContact O-N 3.1Å
1216S92.2Very high89.5Confident5 Ų567 Ų674%0.03531%0.314CS..Hα-helixtrans-58.4-40.7178.3174.60000111.8E1162 L1212 D1219 Y1220E1162-S1216 WeakPolarHBondContact OE1-CB 3.43Å; E1162-S1216 PolarHBondContact OE1-OG 3.35Å; L1212-S1216 WeakPolarHBondContact O-CB 3.46Å; L1212-S1216 PolarHBondContact O-N 3.02Å; S1216-D1219 PolarHBondContact O-N 3.33Å; S1216-Y1220 WeakPolarHBondContact O-CB 3.4Å; S1216-Y1220 PolarHBondContact O-N 3.46Å
1217T91.5Very high89.6Confident50 Ų5060.3 Ų60.331%0.30728%0.283SS..Hα-helixtrans-65-42.2175.9-550000112.2V1213 E1214 R1215 Y1220 L1221V1213-T1217 WeakPolarHBondContact O-CB 3.41Å; V1213-T1217 PolarHBondContact O-N 3.11Å; V1213-T1217 PolarHBondContact O-OG1 3.49Å; E1214-T1217 PolarHBondContact O-N 3.12Å; R1215-T1217 VanDerWaalsContact C-N 3.28Å; R1215-T1217 PolarHBondContact O-N 3.19Å; T1217-Y1220 PolarHBondContact O-N 2.97Å; T1217-L1221 WeakPolarHBondContact O-CG 3.32Å; T1217-L1221 PolarHBondContact O-N 2.97Å; T1217-L1221 VanDerWaalsContact O-N 3.08Å
1218L91.5Very high90Very high70 Ų7059.6 Ų59.637%0.36628%0.278SS..Hα-helixtrans-66.8-40.5176.1-72.7174.5000112E1214 R1215 Y1220 L1221 H1222 W1233 P1234E1214-L1218 WeakPolarHBondContact O-CG 3.46Å; E1214-L1218 PolarHBondContact O-N 3.01Å; R1215-L1218 PolarHBondContact O-N 3.05Å; R1215-L1218 VanDerWaalsContact O-N 3.14Å; L1218-Y1220 VanDerWaalsContact C-N 3.32Å; L1218-Y1220 PolarHBondContact O-N 2.97Å; L1218-L1221 PolarHBondContact O-N 3.41Å; L1218-H1222 WeakPolarHBondContact O-CB 3.46Å; L1218-H1222 PolarHBondContact O-N 3.3Å; L1218-W1233 HydrophobicContact CD2-CB 4.32Å; L1218-P1234 HydrophobicContact CD1-CG 4.37Å; L1218-P1234 HydrophobicContact CD2-CG 4.41Å
1219D90.4Very high90.2Very high86 Ų8658.4 Ų58.446%0.4628%0.275SS..Hα-helixtrans-62.1-41.4176.3-72.2-20.6000110.5R1215 S1216 H1222 Y1223R1215-D1219 IonicContact NE-OD2 3.07Å; R1215-D1219 WeakPolarHBondContact O-CB 3.35Å; R1215-D1219 VanDerWaalsContact O-CG 3.3Å; R1215-D1219 PolarHBondContact O-N 3.1Å; S1216-D1219 PolarHBondContact O-N 3.33Å; D1219-H1222 PolarHBondContact O-N 3.14Å; D1219-Y1223 VanDerWaalsContact O-CB 3.22Å; D1219-Y1223 WeakPolarHBondContact O-CB 3.38Å; D1219-Y1223 PolarHBondContact O-N 3.3Å
1220Y91.7Very high90.4Very high21 Ų2159.5 Ų59.58%0.08228%0.28CS..Hα-helixtrans-59.5-48.4172.2169.7-92.9000112.7A1150 H1153 R1155 F1156 L1159 S1216 T1217 L1218 H1222 Y1223 N1224 L1228A1150-Y1220 HydrophobicContact CB-CE1 4.49Å; A1150-Y1220 PolarHBondContact O-OH 3.2Å; H1153-Y1220 VanDerWaalsContact CB-OH 3.27Å; H1153-Y1220 WeakPolarHBondContact CB-OH 3.44Å; R1155-Y1220 HydrophobicContact CB-CE2 4.09Å; F1156-Y1220 HydrophobicContact CD2-CE1 4.39Å; L1159-Y1220 HydrophobicContact CB-CD2 3.89Å; L1159-Y1220 HydrophobicContact CB-CE2 4.29Å; L1159-Y1220 HydrophobicContact CB-CG 4.28Å; L1159-Y1220 HydrophobicContact CD1-CG 4.44Å; L1159-Y1220 HydrophobicContact CD2-CD1 3.78Å; L1159-Y1220 HydrophobicContact CD2-CD2 4.13Å; L1159-Y1220 HydrophobicContact CD2-CE1 4.25Å; L1159-Y1220 HydrophobicContact CD2-CG 3.72Å; L1159-Y1220 HydrophobicContact CG-CD2 4.47Å; L1159-Y1220 HydrophobicContact CG-CG 4.36Å; S1216-Y1220 WeakPolarHBondContact O-CB 3.4Å; S1216-Y1220 PolarHBondContact O-N 3.46Å; T1217-Y1220 PolarHBondContact O-N 2.97Å; L1218-Y1220 VanDerWaalsContact C-N 3.32Å; L1218-Y1220 PolarHBondContact O-N 2.97Å; Y1220-H1222 VanDerWaalsContact C-N 3.34Å; Y1220-H1222 PolarHBondContact O-N 3.03Å; Y1220-Y1223 PolarHBondContact O-N 2.93Å; Y1220-N1224 WeakPolarHBondContact CD2-ND2 3.47Å; Y1220-N1224 WeakPolarHBondContact CE2-ND2 3.47Å; Y1220-N1224 WeakPolarHBondContact O-CB 3.28Å; Y1220-N1224 PolarHBondContact O-N 3.23Å; Y1220-N1224 PolarHBondContact O-ND2 3.05Å; Y1220-L1228 HydrophobicContact CE1-CD1 3.89Å
1221L91.2Very high90.4Very high23 Ų2357.9 Ų57.912%0.1227%0.273CS..Hα-helixtrans-65-40.2179.3-70.2176.7000111.5T1217 L1218 N1224 R1225 L1228 Y1231T1217-L1221 WeakPolarHBondContact O-CG 3.32Å; T1217-L1221 PolarHBondContact O-N 2.97Å; T1217-L1221 VanDerWaalsContact O-N 3.08Å; L1218-L1221 PolarHBondContact O-N 3.41Å; L1221-N1224 CarbonylContact O-C 3.59Å; L1221-N1224 PolarHBondContact O-N 3Å; L1221-R1225 WeakPolarHBondContact O-CA 3.49Å; L1221-R1225 PolarHBondContact O-N 3.25Å; L1221-L1228 HydrophobicContact CD2-CD1 4.31Å; L1221-Y1231 HydrophobicContact CD1-CD1 4.48Å; L1221-Y1231 HydrophobicContact CD2-CD1 3.96Å; L1221-Y1231 HydrophobicContact CD2-CD2 4.39Å; L1221-Y1231 HydrophobicContact CD2-CG 3.87Å
1222H88.3Confident89.9Confident113 Ų11357.1 Ų57.152%0.52328%0.276SS..Hα-helixtrans-63.2-47.6176.8-175.470.4000111.4L1218 D1219 Y1220 N1224 R1225L1218-H1222 WeakPolarHBondContact O-CB 3.46Å; L1218-H1222 PolarHBondContact O-N 3.3Å; D1219-H1222 PolarHBondContact O-N 3.14Å; Y1220-H1222 VanDerWaalsContact C-N 3.34Å; Y1220-H1222 PolarHBondContact O-N 3.03Å; H1222-N1224 VanDerWaalsContact C-N 3.32Å; H1222-N1224 PolarHBondContact O-N 3.42Å; H1222-R1225 WeakPolarHBondContact O-CB 3.36Å; H1222-R1225 PolarHBondContact O-N 3.33Å
1223Y87.4Confident89Confident106 Ų10656.3 Ų56.342%0.41627%0.269SS..Hα-helixtrans-62.8-39.4179.7-172.8-108.2000112.2E542 D1219 Y1220 Y1226E542-Y1223 PolarHBondContact OE1-OH 3.43Å; E542-Y1223 PolarHBondContact OE2-OH 3.34Å; D1219-Y1223 VanDerWaalsContact O-CB 3.22Å; D1219-Y1223 WeakPolarHBondContact O-CB 3.38Å; D1219-Y1223 PolarHBondContact O-N 3.3Å; Y1220-Y1223 PolarHBondContact O-N 2.93Å; Y1223-Y1226 VanDerWaalsContact O-CE1 3.26Å; Y1223-Y1226 WeakPolarHBondContact O-CE1 3.28Å
1224N89.6Confident88Confident1 Ų160.1 Ų60.11%0.00529%0.294CS..THydrogen-bonded Turntrans-95.914.7-178.1-61-70.6000113.8H1153 R1155 Y1220 L1221 H1222 Y1226 H1227 L1228H1153-N1224 PolarHBondContact CE1-OD1 3.4Å; R1155-N1224 PolarHBondContact NH1-OD1 3.21Å; Y1220-N1224 WeakPolarHBondContact CD2-ND2 3.47Å; Y1220-N1224 WeakPolarHBondContact CE2-ND2 3.47Å; Y1220-N1224 WeakPolarHBondContact O-CB 3.28Å; Y1220-N1224 PolarHBondContact O-N 3.23Å; Y1220-N1224 PolarHBondContact O-ND2 3.05Å; L1221-N1224 CarbonylContact O-C 3.59Å; L1221-N1224 PolarHBondContact O-N 3Å; H1222-N1224 VanDerWaalsContact C-N 3.32Å; H1222-N1224 PolarHBondContact O-N 3.42Å; N1224-Y1226 PolarHBondContact O-N 3.03Å; N1224-H1227 PolarHBondContact O-N 3.44Å; N1224-L1228 HydrophobicContact CB-CD1 4.06Å; N1224-L1228 HydrophobicContact CB-CG 4.43Å; N1224-L1228 PolarHBondContact O-N 3.37Å
1225R88.4Confident86.6Confident132 Ų13259.2 Ų59.250%0.49831%0.311SS..THydrogen-bonded Turntrans-47.9-39.4-177171.4-175.5-176.3160.514.7114L1221 H1222 H1227 L1228 P1229 W1233L1221-R1225 WeakPolarHBondContact O-CA 3.49Å; L1221-R1225 PolarHBondContact O-N 3.25Å; H1222-R1225 WeakPolarHBondContact O-CB 3.36Å; H1222-R1225 PolarHBondContact O-N 3.33Å; R1225-H1227 VanDerWaalsContact C-N 3.28Å; R1225-H1227 PolarHBondContact O-N 3.4Å; R1225-L1228 CarbonylContact O-C 3.55Å; R1225-L1228 PolarHBondContact O-N 2.89Å; R1225-P1229 WeakPolarHBondContact O-CA 3.32Å; R1225-P1229 WeakPolarHBondContact O-CD 3.37Å; R1225-P1229 VanDerWaalsContact O-N 3.08Å; R1225-W1233 HydrophobicContact CB-CH2 4.1Å; R1225-W1233 HydrophobicContact CB-CZ3 4.02Å; R1225-W1233 HydrophobicContact CG-CH2 3.33Å; R1225-W1233 HydrophobicContact CG-CZ2 4.25Å; R1225-W1233 HydrophobicContact CG-CZ3 3.63Å; R1225-W1233 VanDerWaalsContact CZ-CH2 3.41Å
1226Y86.8Confident85.1Confident50 Ų5055 Ų5520%0.19630%0.3CS..THydrogen-bonded Turntrans-72-23.2-176.560.9-83.1000112.9R536 V640 R1155 Y1223 N1224R536-Y1226 HydrophobicContact CG-CE2 4.42Å; V640-Y1226 HydrophobicContact CG2-CD2 4.09Å; R1155-Y1226 PolarHBondContact NH1-OH 3.19Å; R1155-Y1226 VanDerWaalsContact NH1-OH 3.16Å; R1155-Y1226 PolarHBondContact NH2-OH 2.71Å; Y1223-Y1226 VanDerWaalsContact O-CE1 3.26Å; Y1223-Y1226 WeakPolarHBondContact O-CE1 3.28Å; N1224-Y1226 PolarHBondContact O-N 3.03Å
1227H89.4Confident82.6Confident4 Ų465.1 Ų65.12%0.01935%0.352CS..THydrogen-bonded Turntrans-90.4-30.3169.7-74-74.7000112.9S537 Y626 V640 H1153 N1224 R1225 P1229S537-H1227 WeakPolarHBondContact CB-CE1 3.44Å; Y626-H1227 VanDerWaalsContact CE1-O 3.28Å; Y626-H1227 WeakPolarHBondContact CE1-O 3.5Å; Y626-H1227 PolarHBondContact OH-ND1 2.95Å; Y626-H1227 PolarHBondContact OH-O 3.46Å; V640-H1227 WeakPolarHBondContact CG1-ND1 3.27Å; H1153-H1227 AromaticContact CD2-CG 4Å; H1153-H1227 WeakPolarHBondContact NE2-CB 3.49Å; H1153-H1227 AromaticContact NE2-CD2 3.32Å; H1153-H1227 PolarHBondContact NE2-CD2 3.49Å; H1153-H1227 VanDerWaalsContact NE2-CD2 3.32Å; H1153-H1227 AromaticContact NE2-CG 3.41Å; N1224-H1227 PolarHBondContact O-N 3.44Å; R1225-H1227 VanDerWaalsContact C-N 3.28Å; R1225-H1227 PolarHBondContact O-N 3.4Å; H1227-P1229 WeakPolarHBondContact O-CD 3.2Å
1228L93.1Very high82.2Confident1 Ų165.9 Ų65.91%0.00535%0.354CS..  trans-120.548.8-171.7-59.4178.2000113.2I624 L1149 A1150 Y1220 L1221 N1224 R1225 M1230 Y1231I624-L1228 HydrophobicContact CD1-CD2 4.25Å; L1149-L1228 HydrophobicContact CB-CD2 4.19Å; A1150-L1228 HydrophobicContact CB-CD1 4.11Å; Y1220-L1228 HydrophobicContact CE1-CD1 3.89Å; L1221-L1228 HydrophobicContact CD2-CD1 4.31Å; N1224-L1228 HydrophobicContact CB-CD1 4.06Å; N1224-L1228 HydrophobicContact CB-CG 4.43Å; N1224-L1228 PolarHBondContact O-N 3.37Å; R1225-L1228 CarbonylContact O-C 3.55Å; R1225-L1228 PolarHBondContact O-N 2.89Å; L1228-M1230 WeakPolarHBondContact CA-SD 3.43Å; L1228-M1230 HydrophobicContact CB-SD 4.09Å; L1228-M1230 HydrophobicContact CD2-SD 4.14Å; L1228-M1230 PolarHBondContact O-N 3.33Å; L1228-M1230 VanDerWaalsContact O-N 3.1Å; L1228-Y1231 HydrophobicContact CB-CD2 3.81Å; L1228-Y1231 HydrophobicContact CB-CE2 4.21Å; L1228-Y1231 HydrophobicContact CD2-CE2 4.12Å; L1228-Y1231 PolarHBondContact O-N 2.99Å
1229P91.1Very high81.7Confident43 Ų4365.7 Ų65.728%0.27935%0.353SS..THydrogen-bonded Turntrans-68.7-11.3-175.428-34.6000114N634 P636 R1225 H1227 Y1231N634-P1229 WeakPolarHBondContact O-CG 3.34Å; P636-P1229 HydrophobicContact CB-CG 4.48Å; R1225-P1229 WeakPolarHBondContact O-CA 3.32Å; R1225-P1229 WeakPolarHBondContact O-CD 3.37Å; R1225-P1229 VanDerWaalsContact O-N 3.08Å; H1227-P1229 WeakPolarHBondContact O-CD 3.2Å; P1229-Y1231 VanDerWaalsContact C-N 3.25Å; P1229-Y1231 PolarHBondContact O-N 2.67Å
1230M91.7Very high81.2Confident29 Ų2964.6 Ų64.614%0.14335%0.347CS..THydrogen-bonded Turntrans-75.2-8.5176.469-68.5-59.500114.4Y626 L631 N634 P1146 L1149 L1228Y626-M1230 HydrophobicContact CD1-CE 4.47Å; Y626-M1230 HydrophobicContact CE1-CE 4.33Å; L631-M1230 HydrophobicContact CD1-CE 3.93Å; L631-M1230 HydrophobicContact CD2-CB 4.08Å; L631-M1230 HydrophobicContact CD2-CE 4.06Å; L631-M1230 HydrophobicContact CD2-CG 4.33Å; N634-M1230 HydrophobicContact CB-CB 3.93Å; P1146-M1230 HydrophobicContact CB-CB 4.21Å; P1146-M1230 HydrophobicContact CB-CG 3.89Å; L1149-M1230 HydrophobicContact CB-SD 4.34Å; L1149-M1230 HydrophobicContact CD1-CE 3.4Å; L1149-M1230 HydrophobicContact CD1-CG 4.18Å; L1149-M1230 HydrophobicContact CD1-SD 3.9Å; L1228-M1230 WeakPolarHBondContact CA-SD 3.43Å; L1228-M1230 HydrophobicContact CB-SD 4.09Å; L1228-M1230 HydrophobicContact CD2-SD 4.14Å; L1228-M1230 PolarHBondContact O-N 3.33Å; L1228-M1230 VanDerWaalsContact O-N 3.1Å
1231Y90.1Very high80.6Confident43 Ų4367.1 Ų67.117%0.16936%0.363CS..SBendtrans-96.6130.6176.5-65.5-101.3000110.4P1146 W1147 A1150 L1221 L1228 P1229P1146-Y1231 PolarHBondContact O-OH 3.17Å; W1147-Y1231 VanDerWaalsContact CA-OH 3.22Å; W1147-Y1231 WeakPolarHBondContact CA-OH 3.38Å; W1147-Y1231 PolarHBondContact O-OH 3.41Å; A1150-Y1231 HydrophobicContact CB-CE1 4.06Å; A1150-Y1231 HydrophobicContact CB-CE2 4.1Å; A1150-Y1231 VanDerWaalsContact CB-OH 3.31Å; A1150-Y1231 WeakPolarHBondContact CB-OH 3.47Å; A1150-Y1231 PolarHBondContact N-OH 3.04Å; L1221-Y1231 HydrophobicContact CD1-CD1 4.48Å; L1221-Y1231 HydrophobicContact CD2-CD1 3.96Å; L1221-Y1231 HydrophobicContact CD2-CD2 4.39Å; L1221-Y1231 HydrophobicContact CD2-CG 3.87Å; L1228-Y1231 HydrophobicContact CB-CD2 3.81Å; L1228-Y1231 HydrophobicContact CB-CE2 4.21Å; L1228-Y1231 HydrophobicContact CD2-CE2 4.12Å; L1228-Y1231 PolarHBondContact O-N 2.99Å; P1229-Y1231 VanDerWaalsContact C-N 3.25Å; P1229-Y1231 PolarHBondContact O-N 2.67Å
1232A80.4Confident80Confident77 Ų7769.9 Ų69.964%0.63638%0.378SS*.  trans-84.2145.8171.900000110.9
1233W71.9Confident79.4Confident40 Ų4067 Ų6715%0.15237%0.368CS..  trans-131.8161.4169.165.575.9000111L1218 R1225 G1235 I1236L1218-W1233 HydrophobicContact CD2-CB 4.32Å; R1225-W1233 HydrophobicContact CB-CH2 4.1Å; R1225-W1233 HydrophobicContact CB-CZ3 4.02Å; R1225-W1233 HydrophobicContact CG-CH2 3.33Å; R1225-W1233 HydrophobicContact CG-CZ2 4.25Å; R1225-W1233 HydrophobicContact CG-CZ3 3.63Å; R1225-W1233 VanDerWaalsContact CZ-CH2 3.41Å; W1233-G1235 PolarHBondContact O-N 3.4Å; W1233-I1236 HydrophobicContact CD2-CD1 3.42Å; W1233-I1236 VanDerWaalsContact CD2-CD1 3.42Å; W1233-I1236 HydrophobicContact CD2-CG1 3.89Å; W1233-I1236 HydrophobicContact CE3-CD1 3.66Å; W1233-I1236 HydrophobicContact CG-CD1 3.92Å; W1233-I1236 HydrophobicContact CG-CG1 4.09Å; W1233-I1236 HydrophobicContact CH2-CD1 3.3Å; W1233-I1236 HydrophobicContact CH2-CG1 4.06Å; W1233-I1236 HydrophobicContact CZ2-CD1 3.22Å; W1233-I1236 HydrophobicContact CZ2-CG1 3.43Å; W1233-I1236 VanDerWaalsContact CZ2-CG1 3.43Å; W1233-I1236 HydrophobicContact CZ3-CD1 3.61Å; W1233-I1236 PolarHBondContact O-N 2.95Å
1234P68.6Low78.8Confident104 Ų10464.2 Ų64.268%0.67537%0.365SS*.THydrogen-bonded Turntrans-58.2125.6180-24.435.1000112.4L1218L1218-P1234 HydrophobicContact CD1-CG 4.37Å; L1218-P1234 HydrophobicContact CD2-CG 4.41Å
1235G62.7Low78Confident79 Ų7969.1 Ų69.181%0.81439%0.393SS*.THydrogen-bonded Turntrans101.64.5179.800000116.2W1233W1233-G1235 PolarHBondContact O-N 3.4Å
1236I59.3Low77.1Confident78 Ų7863.8 Ų63.840%0.438%0.384SS..  trans-85.3-27.5168.3-58.1177000112.5W1233W1233-I1236 HydrophobicContact CD2-CD1 3.42Å; W1233-I1236 VanDerWaalsContact CD2-CD1 3.42Å; W1233-I1236 HydrophobicContact CD2-CG1 3.89Å; W1233-I1236 HydrophobicContact CE3-CD1 3.66Å; W1233-I1236 HydrophobicContact CG-CD1 3.92Å; W1233-I1236 HydrophobicContact CG-CG1 4.09Å; W1233-I1236 HydrophobicContact CH2-CD1 3.3Å; W1233-I1236 HydrophobicContact CH2-CG1 4.06Å; W1233-I1236 HydrophobicContact CZ2-CD1 3.22Å; W1233-I1236 HydrophobicContact CZ2-CG1 3.43Å; W1233-I1236 VanDerWaalsContact CZ2-CG1 3.43Å; W1233-I1236 HydrophobicContact CZ3-CD1 3.61Å; W1233-I1236 PolarHBondContact O-N 2.95Å
1237I40.4Very low76.2Confident218 Ų21865.1 Ų65.1100%1.11840%0.401SS*.  trans-93.90-176.1-55.5177.5000110.4

Retrieved 1,237 of 1,237 residues in 3203.3 ms (Link to these results)

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