A0A077ZCP4_TRITR Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A077ZCP4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M45.3Very low84.1Confident244 Ų244100.3 Ų100.3100%1.20250%0.499SS*.  0134.10-146.2-180-72.700106.2E3M1-E3 PolarHBondContact O-N 3.23Å
2K65.6Low84.2Confident165 Ų165113.3 Ų113.372%0.71754%0.538SS*.PPolyproline II helixtrans-66.4121.7-178.3-154.5174.6-175.9178.60107.9A4 E91K2-A4 PolarHBondContact O-N 3.19Å; K2-E91 WeakPolarHBondContact CE-OE1 3.41Å; K2-E91 VanDerWaalsContact NZ-CD 3.33Å; K2-E91 IonicContact NZ-OE1 3.64Å; K2-E91 PolarHBondContact NZ-OE1 3.09Å; K2-E91 IonicContact NZ-OE2 2.76Å
3E78.8Confident84.5Confident61 Ų61106.2 Ų106.229%0.28551%0.507SS..PPolyproline II helixtrans-59.1129.2-178.4-167.2174.5-158.300109.6M1 Y5 P18 R20M1-E3 PolarHBondContact O-N 3.23Å; E3-Y5 HydrophobicContact CB-CE2 4.42Å; E3-Y5 VanDerWaalsContact O-CD2 3.3Å; E3-Y5 WeakPolarHBondContact O-CD2 3.44Å; E3-P18 HydrophobicContact CG-CB 4.16Å; E3-P18 WeakPolarHBondContact OE1-CB 3.36Å; E3-R20 IonicContact OE1-NE 2.74Å
4A91Very high85Confident63 Ų63103.8 Ų103.852%0.52149%0.494SS..PPolyproline II helixtrans-77.7139.7-179.600000110K2 P18 V19K2-A4 PolarHBondContact O-N 3.19Å; A4-P18 WeakPolarHBondContact O-CA 3.29Å; A4-V19 HydrophobicContact CB-CG2 3.88Å; A4-V19 WeakPolarHBondContact O-CG2 3.37Å; A4-V19 PolarHBondContact O-N 3.13Å
5Y94Very high85.7Confident66 Ų6697 Ų9726%0.25946%0.462SS..EExtended strand (participates in β ladder)trans-110.3146.1176.6-75.4-106.6000110.5E3 I16 V17 P18 F87 T88 P89 R363E3-Y5 HydrophobicContact CB-CE2 4.42Å; E3-Y5 VanDerWaalsContact O-CD2 3.3Å; E3-Y5 WeakPolarHBondContact O-CD2 3.44Å; Y5-I16 HydrophobicContact CD1-CG2 3.97Å; Y5-I16 HydrophobicContact CG-CG2 4.34Å; Y5-V17 CarbonylContact C-O 3.56Å; Y5-V17 VanDerWaalsContact CA-O 3.28Å; Y5-V17 WeakPolarHBondContact CA-O 3.39Å; Y5-P18 HydrophobicContact CD1-CG 4.45Å; Y5-P18 HydrophobicContact CE1-CG 3.91Å; Y5-F87 AromaticContact CE1-CD2 3.88Å; Y5-F87 HydrophobicContact CE1-CD2 3.88Å; Y5-F87 HydrophobicContact CE1-CE2 4.25Å; Y5-T88 PolarHBondContact OH-O 3.13Å; Y5-P89 HydrophobicContact CD1-CB 3.81Å; Y5-P89 HydrophobicContact CE1-CB 3.85Å; Y5-P89 HydrophobicContact CG-CB 4.36Å; Y5-R363 PolarHBondContact OH-NH2 3.23Å
6K95Very high86.2Confident54 Ų5493.1 Ų93.124%0.23544%0.444CS..EExtended strand (participates in β ladder)trans-113148.7168.362.7-172.3174.9-159.80110.2L8 I16 V17 V19 Y21K6-L8 HydrophobicContact CD-CD1 4.47Å; K6-L8 HydrophobicContact CG-CD1 4.48Å; K6-I16 WeakPolarHBondContact O-CA 3.42Å; K6-V17 HydrophobicContact CG-CG2 4.07Å; K6-V17 PolarHBondContact N-O 3.12Å; K6-V17 PolarHBondContact O-N 3.31Å; K6-V19 HydrophobicContact CB-CG2 4.27Å; K6-V19 PolarHBondContact NZ-O 2.64Å; K6-Y21 WeakPolarHBondContact CE-O 3.42Å; K6-Y21 PolarHBondContact NZ-O 2.8Å
7K95Very high86.8Confident128 Ų12887.6 Ų87.656%0.55742%0.418SS*.EExtended strand (participates in β ladder)trans-106.1131.6177.6-176.4176.8174.7165.50109.7E14 W15 I16K7-E14 HydrophobicContact CD-CG 4.48Å; K7-E14 WeakPolarHBondContact CE-OE2 3.49Å; K7-E14 HydrophobicContact CG-CG 4.28Å; K7-E14 IonicContact NZ-OE2 3.91Å; K7-E14 PolarHBondContact NZ-OE2 3.34Å; K7-W15 CarbonylContact C-O 3.26Å; K7-W15 VanDerWaalsContact CA-O 3.29Å; K7-W15 WeakPolarHBondContact CA-O 3.28Å; K7-I16 HydrophobicContact CG-CG1 4.4Å
8L94.2Very high87.3Confident59 Ų5982.8 Ų82.831%0.30940%0.395SS..EExtended strand (participates in β ladder)trans-137.3146.2-178.7-60.2167.7000109.5K6 L10 W15 M24K6-L8 HydrophobicContact CD-CD1 4.47Å; K6-L8 HydrophobicContact CG-CD1 4.48Å; L8-L10 HydrophobicContact CB-CG 4.44Å; L8-W15 HydrophobicContact CB-CB 4.4Å; L8-W15 PolarHBondContact N-O 3.49Å; L8-W15 PolarHBondContact O-N 3.17Å; L8-M24 HydrophobicContact CD1-CB 4.35Å; L8-M24 HydrophobicContact CD1-CG 4.23Å; L8-M24 HydrophobicContact CD1-SD 3.76Å
9D92.4Very high87.7Confident117 Ų11781.9 Ų81.963%0.62640%0.396SS*.EExtended strand (participates in β ladder)trans-110.4109.9170.9-78.3-58.4000109.3
10L89.7Confident88.1Confident36 Ų3679.9 Ų79.919%0.18838%0.383CS..EExtended strand (participates in β ladder)trans-127.4127.6-177.3-63.4174.4000109.5L8 R12 T13 M24 P26L8-L10 HydrophobicContact CB-CG 4.44Å; L10-R12 VanDerWaalsContact C-N 3.25Å; L10-R12 PolarHBondContact O-N 2.97Å; L10-T13 PolarHBondContact N-O 3.28Å; L10-T13 WeakPolarHBondContact O-CB 3.22Å; L10-T13 PolarHBondContact O-N 2.82Å; L10-T13 VanDerWaalsContact O-O 3.07Å; L10-M24 HydrophobicContact CD1-CB 3.7Å; L10-P26 HydrophobicContact CB-CG 4.22Å
11N84.6Confident88.5Confident110 Ų11076 Ų7659%0.58837%0.365SS*.THydrogen-bonded Turntrans48.443.9-176.3-77.4-5000113.8T13 P26N11-T13 PolarHBondContact O-N 3.19Å; N11-T13 VanDerWaalsContact O-N 3.14Å; N11-P26 WeakPolarHBondContact ND2-CB 3.31Å
12R84.8Confident90.9Very high257 Ų25768.4 Ų68.497%0.9733%0.326SS*.THydrogen-bonded Turntrans60.118.8-178.2-50.1177.3-179.8177.4-0.8114.2L10L10-R12 VanDerWaalsContact C-N 3.25Å; L10-R12 PolarHBondContact O-N 2.97Å
13T87.5Confident92.3Very high21 Ų2166.6 Ų66.613%0.12932%0.324CS..EExtended strand (participates in β ladder)trans-115.4129.7173.6-59.80000107.9L10 N11 W15 C34 K51L10-T13 PolarHBondContact N-O 3.28Å; L10-T13 WeakPolarHBondContact O-CB 3.22Å; L10-T13 PolarHBondContact O-N 2.82Å; L10-T13 VanDerWaalsContact O-O 3.07Å; N11-T13 PolarHBondContact O-N 3.19Å; N11-T13 VanDerWaalsContact O-N 3.14Å; T13-W15 PolarHBondContact O-NE1 3.35Å; T13-C34 PolarHBondContact OG1-SG 2.89Å; T13-K51 HydrophobicContact CG2-CD 4.01Å
14E92.3Very high93.1Very high72 Ų7264.7 Ų64.734%0.33632%0.316SS..EExtended strand (participates in β ladder)trans-74.2132.8173.3-176.7-175.395.900109.5K7 I16 K51K7-E14 HydrophobicContact CD-CG 4.48Å; K7-E14 WeakPolarHBondContact CE-OE2 3.49Å; K7-E14 HydrophobicContact CG-CG 4.28Å; K7-E14 IonicContact NZ-OE2 3.91Å; K7-E14 PolarHBondContact NZ-OE2 3.34Å; E14-I16 HydrophobicContact CG-CG1 4.41Å; E14-K51 PolarHBondContact O-NZ 2.95Å
15W94.6Very high93.2Very high2 Ų265.5 Ų65.51%0.00831%0.314CS..EExtended strand (participates in β ladder)trans-119.2134.2175.3-63.578.5000109.1K7 L8 T13 V17 M24 C34 C36 I49 K51 Y100K7-W15 CarbonylContact C-O 3.26Å; K7-W15 VanDerWaalsContact CA-O 3.29Å; K7-W15 WeakPolarHBondContact CA-O 3.28Å; L8-W15 HydrophobicContact CB-CB 4.4Å; L8-W15 PolarHBondContact N-O 3.49Å; L8-W15 PolarHBondContact O-N 3.17Å; T13-W15 PolarHBondContact O-NE1 3.35Å; W15-V17 HydrophobicContact CB-CG1 4.44Å; W15-V17 HydrophobicContact CE3-CG1 4.34Å; W15-M24 HydrophobicContact CD2-CE 4.26Å; W15-M24 HydrophobicContact CE3-CE 3.79Å; W15-M24 HydrophobicContact CZ3-CE 4.14Å; W15-C34 HydrophobicContact CH2-CB 3.98Å; W15-C34 VanDerWaalsContact CH2-O 3.28Å; W15-C34 WeakPolarHBondContact CH2-O 3.41Å; W15-C34 HydrophobicContact CZ2-CB 3.46Å; W15-C34 VanDerWaalsContact CZ2-CB 3.46Å; W15-C36 HydrophobicContact CH2-CB 4.13Å; W15-C36 HydrophobicContact CZ2-CB 4.39Å; W15-C36 WeakPolarHBondContact CZ2-SG 3.45Å; W15-C36 HydrophobicContact CZ3-CB 4.44Å; W15-I49 HydrophobicContact CZ3-CB 4.49Å; W15-I49 HydrophobicContact CZ3-CG2 4.11Å; W15-K51 HydrophobicContact CE3-CB 4.11Å; W15-K51 HydrophobicContact CH2-CB 3.75Å; W15-K51 HydrophobicContact CZ2-CB 4.32Å; W15-K51 HydrophobicContact CZ3-CB 3.62Å; W15-Y100 HydrophobicContact CD2-CE1 4.43Å; W15-Y100 HydrophobicContact CE3-CD1 4.03Å; W15-Y100 AromaticContact CE3-CE1 3.6Å; W15-Y100 HydrophobicContact CE3-CE1 3.6Å; W15-Y100 HydrophobicContact CZ3-CD1 4.13Å; W15-Y100 HydrophobicContact CZ3-CE1 4.09Å
16I95.1Very high93.1Very high35 Ų3564.6 Ų64.618%0.17932%0.316CS..EExtended strand (participates in β ladder)trans-128.297.7174.9-53.2171.9000105.8Y5 K6 K7 E14 P89 Y100Y5-I16 HydrophobicContact CD1-CG2 3.97Å; Y5-I16 HydrophobicContact CG-CG2 4.34Å; K6-I16 WeakPolarHBondContact O-CA 3.42Å; K7-I16 HydrophobicContact CG-CG1 4.4Å; E14-I16 HydrophobicContact CG-CG1 4.41Å; I16-P89 HydrophobicContact CB-CB 4.19Å; I16-P89 HydrophobicContact CB-CG 3.95Å; I16-P89 HydrophobicContact CD1-CG 4.47Å; I16-P89 HydrophobicContact CG2-CB 3.54Å; I16-P89 HydrophobicContact CG2-CG 3.88Å; I16-Y100 PolarHBondContact N-OH 3.13Å; I16-Y100 WeakPolarHBondContact O-CE2 3.35Å
17V95.4Very high92.6Very high0 Ų066.3 Ų66.30%033%0.331CS..EExtended strand (participates in β ladder)trans-124.9154.6-171-61.50000111Y5 K6 W15 M24 F87 Y100Y5-V17 CarbonylContact C-O 3.56Å; Y5-V17 VanDerWaalsContact CA-O 3.28Å; Y5-V17 WeakPolarHBondContact CA-O 3.39Å; K6-V17 HydrophobicContact CG-CG2 4.07Å; K6-V17 PolarHBondContact N-O 3.12Å; K6-V17 PolarHBondContact O-N 3.31Å; W15-V17 HydrophobicContact CB-CG1 4.44Å; W15-V17 HydrophobicContact CE3-CG1 4.34Å; V17-M24 HydrophobicContact CB-SD 4.4Å; V17-M24 HydrophobicContact CG1-CE 4.28Å; V17-M24 HydrophobicContact CG1-SD 4.14Å; V17-M24 HydrophobicContact CG2-SD 3.53Å; V17-M24 VanDerWaalsContact CG2-SD 3.53Å; V17-F87 HydrophobicContact CB-CE2 4.17Å; V17-F87 HydrophobicContact CB-CZ 4.02Å; V17-F87 HydrophobicContact CG1-CE2 4.05Å; V17-F87 HydrophobicContact CG1-CZ 3.83Å; V17-Y100 HydrophobicContact CG1-CD1 4.31Å; V17-Y100 HydrophobicContact CG1-CE1 4.17Å
18P95.6Very high91.6Very high0 Ų061.9 Ų61.90%032%0.322CS..EExtended strand (participates in β ladder)trans-49.5143.3169.3-32.338000112.8E3 A4 Y5 R20 Y21 F87E3-P18 HydrophobicContact CG-CB 4.16Å; E3-P18 WeakPolarHBondContact OE1-CB 3.36Å; A4-P18 WeakPolarHBondContact O-CA 3.29Å; Y5-P18 HydrophobicContact CD1-CG 4.45Å; Y5-P18 HydrophobicContact CE1-CG 3.91Å; P18-R20 HydrophobicContact CB-CG 3.76Å; P18-R20 PolarHBondContact O-N 3.03Å; P18-R20 VanDerWaalsContact O-N 3.14Å; P18-Y21 HydrophobicContact CB-CD2 4.03Å; P18-Y21 HydrophobicContact CB-CE2 4.33Å; P18-Y21 HydrophobicContact CG-CD2 4.13Å; P18-Y21 HydrophobicContact CG-CE2 4.13Å; P18-Y21 PolarHBondContact O-N 2.98Å; P18-Y21 VanDerWaalsContact O-N 3.16Å; P18-F87 VanDerWaalsContact CD-CZ 3.45Å; P18-F87 HydrophobicContact CG-CD1 4.39Å; P18-F87 HydrophobicContact CG-CD2 4.11Å; P18-F87 HydrophobicContact CG-CE1 4.46Å; P18-F87 HydrophobicContact CG-CE2 4.22Å; P18-F87 HydrophobicContact CG-CG 4.2Å; P18-F87 HydrophobicContact CG-CZ 4.38Å
19V95.5Very high90.3Very high67 Ų6765.3 Ų65.341%0.40634%0.336SS..THydrogen-bonded Turntrans-58.3-30.2-179.9174.80000111.6A4 K6 Y21A4-V19 HydrophobicContact CB-CG2 3.88Å; A4-V19 WeakPolarHBondContact O-CG2 3.37Å; A4-V19 PolarHBondContact O-N 3.13Å; K6-V19 HydrophobicContact CB-CG2 4.27Å; K6-V19 PolarHBondContact NZ-O 2.64Å; V19-Y21 PolarHBondContact O-N 3.32Å
20R95.5Very high88.9Confident40 Ų4061.5 Ų61.515%0.15132%0.324CS..THydrogen-bonded Turntrans-56.7-26.5177.968.6167.1178.6175.7-9.9115.1E3 P18 E22 D40 S41 D85E3-R20 IonicContact OE1-NE 2.74Å; P18-R20 HydrophobicContact CB-CG 3.76Å; P18-R20 PolarHBondContact O-N 3.03Å; P18-R20 VanDerWaalsContact O-N 3.14Å; R20-E22 PolarHBondContact O-N 3.28Å; R20-D40 IonicContact CZ-OD2 3.78Å; R20-D40 IonicContact NH1-OD2 2.64Å; R20-D40 PolarHBondContact NH1-OD2 3.02Å; R20-S41 WeakPolarHBondContact CA-OG 3.39Å; R20-S41 WeakPolarHBondContact O-CB 3.5Å; R20-S41 PolarHBondContact O-N 3.3Å; R20-S41 PolarHBondContact O-OG 3.27Å; R20-D85 IonicContact CZ-OD2 3.03Å; R20-D85 IonicContact NH2-OD1 2.59Å; R20-D85 IonicContact NH2-OD2 3.72Å; R20-D85 PolarHBondContact NH2-OD2 2.65Å
21Y96.8Very high87.4Confident0 Ų064.3 Ų64.30%035%0.353CS..EExtended strand (participates in β ladder)trans-87.695.2179.8-67.5-54.6000110K6 P18 V19 V39 D40 V47 I49 D85 F87 V102K6-Y21 WeakPolarHBondContact CE-O 3.42Å; K6-Y21 PolarHBondContact NZ-O 2.8Å; P18-Y21 HydrophobicContact CB-CD2 4.03Å; P18-Y21 HydrophobicContact CB-CE2 4.33Å; P18-Y21 HydrophobicContact CG-CD2 4.13Å; P18-Y21 HydrophobicContact CG-CE2 4.13Å; P18-Y21 PolarHBondContact O-N 2.98Å; P18-Y21 VanDerWaalsContact O-N 3.16Å; V19-Y21 PolarHBondContact O-N 3.32Å; Y21-V39 CarbonylContact C-O 3.52Å; Y21-V39 WeakPolarHBondContact CA-O 3.17Å; Y21-D40 HydrophobicContact CD1-CB 4.12Å; Y21-D40 HydrophobicContact CE1-CB 3.87Å; Y21-V47 HydrophobicContact CD1-CG2 3.87Å; Y21-V47 HydrophobicContact CE1-CG2 3.89Å; Y21-I49 HydrophobicContact CD1-CD1 3.92Å; Y21-I49 HydrophobicContact CD2-CD1 3.82Å; Y21-I49 HydrophobicContact CE2-CD1 4.45Å; Y21-I49 HydrophobicContact CG-CD1 3.53Å; Y21-D85 WeakPolarHBondContact OH-CB 2.88Å; Y21-D85 PolarHBondContact OH-OD2 3.11Å; Y21-D85 VanDerWaalsContact OH-OD2 3.07Å; Y21-F87 AromaticContact CD2-CE1 3.99Å; Y21-F87 HydrophobicContact CD2-CE1 3.99Å; Y21-F87 HydrophobicContact CD2-CZ 4.24Å; Y21-F87 HydrophobicContact CE2-CD1 4.06Å; Y21-F87 AromaticContact CE2-CE1 3.5Å; Y21-F87 HydrophobicContact CE2-CE1 3.5Å; Y21-F87 VanDerWaalsContact CE2-CE1 3.5Å; Y21-F87 HydrophobicContact CE2-CZ 4.19Å; Y21-V102 HydrophobicContact CE1-CG1 4.18Å; Y21-V102 HydrophobicContact CE2-CG2 4.13Å
22E95.9Very high86.4Confident83 Ų8361.8 Ų61.839%0.38834%0.335SS..EExtended strand (participates in β ladder)trans-95.4168.3-173.9-62.8-176.7168.900112.2R20 M24 A38 V39R20-E22 PolarHBondContact O-N 3.28Å; E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.17Å; E22-M24 VanDerWaalsContact O-N 3.17Å; E22-A38 CarbonylContact O-C 3.57Å; E22-A38 WeakPolarHBondContact O-CA 3.43Å; E22-A38 WeakPolarHBondContact O-CB 3.45Å; E22-V39 PolarHBondContact N-O 2.88Å; E22-V39 PolarHBondContact O-N 3.28Å
23D95Very high85.7Confident127 Ų12749.8 Ų49.868%0.67929%0.291SS*.EExtended strand (participates in β ladder)trans48.646.4175.3-59.8-26.8000115V25D23-V25 PolarHBondContact O-N 3.32Å
24M95.2Very high85.6Confident21 Ų2149 Ų4910%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-65.9120.1-177.8-67.9-163.373.800112.3L8 L10 W15 V17 E22 C36 S37 A38 I49L8-M24 HydrophobicContact CD1-CB 4.35Å; L8-M24 HydrophobicContact CD1-CG 4.23Å; L8-M24 HydrophobicContact CD1-SD 3.76Å; L10-M24 HydrophobicContact CD1-CB 3.7Å; W15-M24 HydrophobicContact CD2-CE 4.26Å; W15-M24 HydrophobicContact CE3-CE 3.79Å; W15-M24 HydrophobicContact CZ3-CE 4.14Å; V17-M24 HydrophobicContact CB-SD 4.4Å; V17-M24 HydrophobicContact CG1-CE 4.28Å; V17-M24 HydrophobicContact CG1-SD 4.14Å; V17-M24 HydrophobicContact CG2-SD 3.53Å; V17-M24 VanDerWaalsContact CG2-SD 3.53Å; E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.17Å; E22-M24 VanDerWaalsContact O-N 3.17Å; M24-C36 HydrophobicContact CE-CB 3.55Å; M24-S37 CarbonylContact C-O 3.56Å; M24-S37 VanDerWaalsContact CA-O 3.25Å; M24-S37 WeakPolarHBondContact CA-O 3.31Å; M24-A38 HydrophobicContact CG-CB 4.01Å; M24-I49 HydrophobicContact CE-CB 4.48Å; M24-I49 HydrophobicContact CE-CD1 4.09Å
25V93.5Very high85.5Confident81 Ų8147.5 Ų47.549%0.49128%0.283SS..EExtended strand (participates in β ladder)trans-122.9131.1177.7179.90000109.8D23 V27 C36 S37D23-V25 PolarHBondContact O-N 3.32Å; V25-V27 PolarHBondContact O-N 2.83Å; V25-C36 CarbonylContact O-C 3.57Å; V25-C36 WeakPolarHBondContact O-CA 3.41Å; V25-C36 WeakPolarHBondContact O-CB 3.48Å; V25-S37 PolarHBondContact N-O 3.47Å; V25-S37 PolarHBondContact O-N 2.95Å; V25-S37 PolarHBondContact O-OG 3.28Å
26P90.7Very high85.5Confident46 Ų4647.5 Ų47.530%0.29928%0.283SS..EExtended strand (participates in β ladder)trans-63.6129.4175.4-20.532.1000112.2L10 N11L10-P26 HydrophobicContact CB-CG 4.22Å; N11-P26 WeakPolarHBondContact ND2-CB 3.31Å
27V85Confident85.5Confident91 Ų9146.9 Ų46.955%0.55228%0.281SS*.EExtended strand (participates in β ladder)trans-106.7-43178.2175.50000110.8V25 V35V25-V27 PolarHBondContact O-N 2.83Å; V27-V35 HydrophobicContact CB-CG1 4.48Å; V27-V35 PolarHBondContact N-O 3.22Å
28G74.4Confident85.5Confident34 Ų3447 Ų4735%0.35128%0.283SS..EExtended strand (participates in β ladder)trans-156.4154.3-174.400000114.1V35G28-V35 PolarHBondContact N-O 3.28Å; G28-V35 PolarHBondContact O-N 3.38Å
29H67.4Low85.6Confident132 Ų13248.9 Ų48.961%0.61129%0.294SS*.EExtended strand (participates in β ladder)trans-131.5124.9173-178.177.4000108.8C34H29-C34 PolarHBondContact ND1-SG 2.92Å
30G62Low85.7Confident37 Ų3746 Ų4638%0.38128%0.276SS..EExtended strand (participates in β ladder)trans-137.8172.6179.900000112.2Y32 G33G30-Y32 PolarHBondContact O-N 2.97Å; G30-G33 PolarHBondContact N-O 3.1Å; G30-G33 PolarHBondContact O-N 3.07Å; G30-G33 VanDerWaalsContact O-O 3.08Å
31A59Low85.7Confident95 Ų9547.1 Ų47.179%0.78529%0.29SS*.THydrogen-bonded Turntrans-58-24.1-178.800000113.8
32Y62.8Low85.6Confident56 Ų5650.7 Ų50.722%0.2232%0.32CS..THydrogen-bonded Turntrans-102.7-10.1-175-52.7-58.6000114G30 M53 R64G30-Y32 PolarHBondContact O-N 2.97Å; Y32-M53 PolarHBondContact O-N 3.22Å; Y32-R64 VanDerWaalsContact CE1-NH1 3.34Å; Y32-R64 VanDerWaalsContact CZ-NH2 3.26Å; Y32-R64 PolarHBondContact OH-NH2 2.89Å
33G70.3Confident85.5Confident5 Ų551 Ų515%0.05233%0.328CS..EExtended strand (participates in β ladder)trans174.8168.6-171.200000115.2G30 K51G30-G33 PolarHBondContact N-O 3.1Å; G30-G33 PolarHBondContact O-N 3.07Å; G30-G33 VanDerWaalsContact O-O 3.08Å; G33-K51 WeakPolarHBondContact CA-O 3.42Å
34C85.2Confident85.4Confident6 Ų647.6 Ų47.64%0.04132%0.322CS..EExtended strand (participates in β ladder)trans-107.9144.1162.9-59.20000108.4T13 W15 H29 K50 K51T13-C34 PolarHBondContact OG1-SG 2.89Å; W15-C34 HydrophobicContact CH2-CB 3.98Å; W15-C34 VanDerWaalsContact CH2-O 3.28Å; W15-C34 WeakPolarHBondContact CH2-O 3.41Å; W15-C34 HydrophobicContact CZ2-CB 3.46Å; W15-C34 VanDerWaalsContact CZ2-CB 3.46Å; H29-C34 PolarHBondContact ND1-SG 2.92Å; C34-K50 WeakPolarHBondContact O-CA 3.42Å; C34-K51 PolarHBondContact N-O 3.16Å; C34-K51 PolarHBondContact O-N 2.93Å
35V90.6Very high85.5Confident40 Ų4052.7 Ų52.724%0.24235%0.346CS..EExtended strand (participates in β ladder)trans-122.1130177.6-174.90000108.9V27 G28 A48 I49 K50V27-V35 HydrophobicContact CB-CG1 4.48Å; V27-V35 PolarHBondContact N-O 3.22Å; G28-V35 PolarHBondContact N-O 3.28Å; G28-V35 PolarHBondContact O-N 3.38Å; V35-A48 HydrophobicContact CG1-CB 4.19Å; V35-I49 WeakPolarHBondContact CA-O 3.41Å; V35-K50 HydrophobicContact CG2-CB 4.14Å; V35-K50 HydrophobicContact CG2-CG 4.1Å
36C94.2Very high85.5Confident1 Ų155.4 Ų55.41%0.00735%0.351CS..EExtended strand (participates in β ladder)trans-119144.4168.8-66.70000109.9W15 M24 V25 A48 I49W15-C36 HydrophobicContact CH2-CB 4.13Å; W15-C36 HydrophobicContact CZ2-CB 4.39Å; W15-C36 WeakPolarHBondContact CZ2-SG 3.45Å; W15-C36 HydrophobicContact CZ3-CB 4.44Å; M24-C36 HydrophobicContact CE-CB 3.55Å; V25-C36 CarbonylContact O-C 3.57Å; V25-C36 WeakPolarHBondContact O-CA 3.41Å; V25-C36 WeakPolarHBondContact O-CB 3.48Å; C36-A48 CarbonylContact O-C 3.59Å; C36-I49 PolarHBondContact N-O 2.92Å; C36-I49 PolarHBondContact O-N 3.31Å
37S95.1Very high85.8Confident22 Ų2253.4 Ų53.415%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-78.8149.716158.40000109.2M24 V25 V47M24-S37 CarbonylContact C-O 3.56Å; M24-S37 VanDerWaalsContact CA-O 3.25Å; M24-S37 WeakPolarHBondContact CA-O 3.31Å; V25-S37 PolarHBondContact N-O 3.47Å; V25-S37 PolarHBondContact O-N 2.95Å; V25-S37 PolarHBondContact O-OG 3.28Å; S37-V47 CarbonylContact C-O 3.53Å; S37-V47 VanDerWaalsContact CA-O 3.24Å; S37-V47 WeakPolarHBondContact CA-O 3.43Å
38A97.1Very high86.3Confident4 Ų449.6 Ų49.63%0.03332%0.316CS..EExtended strand (participates in β ladder)trans-145.7167.6172.200000109.6E22 M24 K46 V47 I49E22-A38 CarbonylContact O-C 3.57Å; E22-A38 WeakPolarHBondContact O-CA 3.43Å; E22-A38 WeakPolarHBondContact O-CB 3.45Å; M24-A38 HydrophobicContact CG-CB 4.01Å; A38-K46 WeakPolarHBondContact O-CA 3.29Å; A38-V47 HydrophobicContact CB-CG2 4.03Å; A38-V47 PolarHBondContact N-O 3.1Å; A38-V47 PolarHBondContact O-N 3.01Å; A38-I49 HydrophobicContact CB-CD1 3.75Å; A38-I49 HydrophobicContact CB-CG1 4.32Å
39V97.3Very high87.3Confident39 Ų3948 Ų4824%0.23630%0.3CS..EExtended strand (participates in β ladder)trans-101.9128164.2-179.60000108Y21 E22 S41 E45 K46Y21-V39 CarbonylContact C-O 3.52Å; Y21-V39 WeakPolarHBondContact CA-O 3.17Å; E22-V39 PolarHBondContact N-O 2.88Å; E22-V39 PolarHBondContact O-N 3.28Å; V39-S41 PolarHBondContact O-N 3.35Å; V39-E45 WeakPolarHBondContact CA-O 3.3Å; V39-K46 HydrophobicContact CG2-CG 4.43Å
40D97Very high88.5Confident5 Ų543.4 Ų43.43%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-79.2107.3168.8-171.6-22.9000108.6R20 Y21 A42 T43 G44 E45 V47R20-D40 IonicContact CZ-OD2 3.78Å; R20-D40 IonicContact NH1-OD2 2.64Å; R20-D40 PolarHBondContact NH1-OD2 3.02Å; Y21-D40 HydrophobicContact CD1-CB 4.12Å; Y21-D40 HydrophobicContact CE1-CB 3.87Å; D40-A42 PolarHBondContact O-N 3.31Å; D40-A42 VanDerWaalsContact O-N 3.1Å; D40-A42 VanDerWaalsContact OD1-CB 3.27Å; D40-A42 WeakPolarHBondContact OD1-CB 3.39Å; D40-A42 PolarHBondContact OD1-N 3.49Å; D40-T43 PolarHBondContact O-N 3.5Å; D40-G44 WeakPolarHBondContact O-CA 3.43Å; D40-G44 PolarHBondContact O-N 2.95Å; D40-E45 PolarHBondContact N-O 2.88Å; D40-V47 HydrophobicContact CB-CG1 4.41Å
41S96Very high89.9Confident64 Ų6442.6 Ų42.645%0.44826%0.264SS..THydrogen-bonded Turntrans-63.5-16.3-17873.10000113.5R20 V39R20-S41 WeakPolarHBondContact CA-OG 3.39Å; R20-S41 WeakPolarHBondContact O-CB 3.5Å; R20-S41 PolarHBondContact O-N 3.3Å; R20-S41 PolarHBondContact O-OG 3.27Å; V39-S41 PolarHBondContact O-N 3.35Å
42A93.4Very high91.3Very high75 Ų7538.3 Ų38.362%0.6223%0.228SC*.THydrogen-bonded Turntrans-78.9-34.2178.300000112.4D40D40-A42 PolarHBondContact O-N 3.31Å; D40-A42 VanDerWaalsContact O-N 3.1Å; D40-A42 VanDerWaalsContact OD1-CB 3.27Å; D40-A42 WeakPolarHBondContact OD1-CB 3.39Å; D40-A42 PolarHBondContact OD1-N 3.49Å
43T94.5Very high92.1Very high91 Ų9139.3 Ų39.356%0.55824%0.235SC*.THydrogen-bonded Turntrans-109.3-22.7-177.860.50000113.1D40 E45D40-T43 PolarHBondContact O-N 3.5Å; T43-E45 WeakPolarHBondContact OG1-CB 3.47Å; T43-E45 PolarHBondContact OG1-N 2.89Å
44G94Very high92.7Very high54 Ų5447.3 Ų47.356%0.55726%0.264SS*.  trans81.5-1.9-169.800000113.8D40D40-G44 WeakPolarHBondContact O-CA 3.43Å; D40-G44 PolarHBondContact O-N 2.95Å
45E95.3Very high92.6Very high128 Ų12847.2 Ų47.260%0.59826%0.263SS*.  trans-80.2149.8-174.5-67.7-59.9146.400112.5V39 D40 T43V39-E45 WeakPolarHBondContact CA-O 3.3Å; D40-E45 PolarHBondContact N-O 2.88Å; T43-E45 WeakPolarHBondContact OG1-CB 3.47Å; T43-E45 PolarHBondContact OG1-N 2.89Å
46K95.5Very high92.6Very high138 Ų13845.8 Ų45.860%0.625%0.254SS*.EExtended strand (participates in β ladder)trans-84.6130.4171.8-67.2-177.5-176.2172.70110A38 V39 L105A38-K46 WeakPolarHBondContact O-CA 3.29Å; V39-K46 HydrophobicContact CG2-CG 4.43Å; K46-L105 HydrophobicContact CB-CB 3.93Å; K46-L105 HydrophobicContact CB-CD2 3.77Å; K46-L105 HydrophobicContact CD-CD2 4.1Å; K46-L105 HydrophobicContact CG-CD2 4.49Å; K46-L105 WeakPolarHBondContact O-CB 3.46Å; K46-L105 PolarHBondContact O-N 3.39Å; K46-L105 VanDerWaalsContact O-N 3.12Å
47V96.2Very high92.2Very high5 Ų550.5 Ų50.53%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-125.9154.5-177.6-62.50000111.7Y21 S37 A38 D40 I49 V102 S103Y21-V47 HydrophobicContact CD1-CG2 3.87Å; Y21-V47 HydrophobicContact CE1-CG2 3.89Å; S37-V47 CarbonylContact C-O 3.53Å; S37-V47 VanDerWaalsContact CA-O 3.24Å; S37-V47 WeakPolarHBondContact CA-O 3.43Å; A38-V47 HydrophobicContact CB-CG2 4.03Å; A38-V47 PolarHBondContact N-O 3.1Å; A38-V47 PolarHBondContact O-N 3.01Å; D40-V47 HydrophobicContact CB-CG1 4.41Å; V47-I49 HydrophobicContact CG2-CD1 4.47Å; V47-I49 HydrophobicContact CG2-CG1 4.18Å; V47-V102 HydrophobicContact CB-CG1 3.65Å; V47-V102 HydrophobicContact CG1-CG1 4.02Å; V47-V102 HydrophobicContact CG2-CG1 3.87Å; V47-S103 CarbonylContact C-O 3.57Å; V47-S103 WeakPolarHBondContact CA-O 3.31Å; V47-S103 WeakPolarHBondContact CB-O 3.44Å
48A94.7Very high91.9Very high11 Ų1152.4 Ų52.49%0.09129%0.289CS..EExtended strand (participates in β ladder)trans-104.2123.3168.100000109.7V35 C36 V102 S103 L105V35-A48 HydrophobicContact CG1-CB 4.19Å; C36-A48 CarbonylContact O-C 3.59Å; A48-V102 WeakPolarHBondContact O-CA 3.3Å; A48-S103 PolarHBondContact N-O 3.46Å; A48-S103 PolarHBondContact O-N 3.26Å; A48-S103 PolarHBondContact O-OG 2.88Å; A48-L105 HydrophobicContact CB-CD1 3.92Å
49I95.1Very high91.5Very high0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-107.2109.7179.3-50.5-177.4000108.9W15 Y21 M24 V35 C36 A38 V47 F87 Y100 L101 V102W15-I49 HydrophobicContact CZ3-CB 4.49Å; W15-I49 HydrophobicContact CZ3-CG2 4.11Å; Y21-I49 HydrophobicContact CD1-CD1 3.92Å; Y21-I49 HydrophobicContact CD2-CD1 3.82Å; Y21-I49 HydrophobicContact CE2-CD1 4.45Å; Y21-I49 HydrophobicContact CG-CD1 3.53Å; M24-I49 HydrophobicContact CE-CB 4.48Å; M24-I49 HydrophobicContact CE-CD1 4.09Å; V35-I49 WeakPolarHBondContact CA-O 3.41Å; C36-I49 PolarHBondContact N-O 2.92Å; C36-I49 PolarHBondContact O-N 3.31Å; A38-I49 HydrophobicContact CB-CD1 3.75Å; A38-I49 HydrophobicContact CB-CG1 4.32Å; V47-I49 HydrophobicContact CG2-CD1 4.47Å; V47-I49 HydrophobicContact CG2-CG1 4.18Å; I49-F87 HydrophobicContact CG2-CE1 4.42Å; I49-F87 HydrophobicContact CG2-CZ 4.19Å; I49-Y100 HydrophobicContact CG2-CD1 4.08Å; I49-L101 CarbonylContact C-O 3.58Å; I49-L101 WeakPolarHBondContact CA-O 3.31Å; I49-V102 HydrophobicContact CG1-CG1 4.36Å; I49-V102 HydrophobicContact CG1-CG2 4.25Å; I49-V102 HydrophobicContact CG2-CG2 4.43Å
50K92.4Very high90.9Very high35 Ų3557.2 Ų57.215%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-93.3116.4174.7-177.4-179.6-177.8-175.30109.7C34 V35 L52 E68 Y100 L101 D165C34-K50 WeakPolarHBondContact O-CA 3.42Å; V35-K50 HydrophobicContact CG2-CB 4.14Å; V35-K50 HydrophobicContact CG2-CG 4.1Å; K50-L52 HydrophobicContact CD-CD2 4.24Å; K50-L52 HydrophobicContact CG-CD2 4.33Å; K50-E68 IonicContact NZ-OE1 2.86Å; K50-E68 PolarHBondContact NZ-OE1 3.44Å; K50-Y100 WeakPolarHBondContact O-CA 3.48Å; K50-L101 HydrophobicContact CB-CB 4.38Å; K50-L101 PolarHBondContact N-O 3.4Å; K50-L101 PolarHBondContact O-N 3.31Å; K50-D165 IonicContact NZ-OD1 3.92Å; K50-D165 PolarHBondContact NZ-OD1 2.73Å
51K92Very high90.4Very high20 Ų2059.6 Ų59.69%0.08733%0.332CS..EExtended strand (participates in β ladder)trans-85.1119.6167-174.9176.7-170.3173.80109.4T13 E14 W15 G33 C34 M53 N98 Y100T13-K51 HydrophobicContact CG2-CD 4.01Å; E14-K51 PolarHBondContact O-NZ 2.95Å; W15-K51 HydrophobicContact CE3-CB 4.11Å; W15-K51 HydrophobicContact CH2-CB 3.75Å; W15-K51 HydrophobicContact CZ2-CB 4.32Å; W15-K51 HydrophobicContact CZ3-CB 3.62Å; G33-K51 WeakPolarHBondContact CA-O 3.42Å; C34-K51 PolarHBondContact N-O 3.16Å; C34-K51 PolarHBondContact O-N 2.93Å; K51-M53 PolarHBondContact O-N 2.8Å; K51-N98 VanDerWaalsContact CE-OD1 3.27Å; K51-N98 WeakPolarHBondContact CE-OD1 3.43Å; K51-N98 PolarHBondContact NZ-OD1 2.98Å; K51-Y100 HydrophobicContact CB-CD1 3.83Å; K51-Y100 HydrophobicContact CB-CE1 3.71Å; K51-Y100 HydrophobicContact CD-CE1 3.67Å; K51-Y100 WeakPolarHBondContact CE-OH 3.42Å; K51-Y100 HydrophobicContact CG-CD1 4.02Å; K51-Y100 HydrophobicContact CG-CE1 3.56Å; K51-Y100 PolarHBondContact NZ-OH 3.24Å
52L88.4Confident90.1Very high6 Ų656.5 Ų56.53%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-71.4125.2173.7-59.1-174.5000109.9K50 P55 T65 V99 L101K50-L52 HydrophobicContact CD-CD2 4.24Å; K50-L52 HydrophobicContact CG-CD2 4.33Å; L52-P55 HydrophobicContact CB-CB 4.16Å; L52-P55 HydrophobicContact CB-CG 4.28Å; L52-P55 WeakPolarHBondContact O-CD 3.29Å; L52-T65 HydrophobicContact CD1-CG2 3.58Å; L52-V99 HydrophobicContact CB-CB 4.46Å; L52-V99 HydrophobicContact CD1-CB 4.1Å; L52-V99 HydrophobicContact CD1-CG1 3.87Å; L52-V99 HydrophobicContact CG-CB 4.46Å; L52-V99 HydrophobicContact CG-CG1 4.49Å; L52-V99 PolarHBondContact N-O 2.88Å; L52-L101 HydrophobicContact CD1-CD1 4.29Å; L52-L101 HydrophobicContact CD2-CD1 3.91Å; L52-L101 HydrophobicContact CD2-CG 4.49Å; L52-L101 HydrophobicContact CG-CD1 4.32Å; L52-L101 HydrophobicContact CG-CG 4.45Å
53M80.5Confident89.9Confident76 Ų7654.9 Ų54.937%0.37429%0.29SS..SBendtrans-88.6122-178.6-80.3-167.582.600111.8Y32 K51 P55Y32-M53 PolarHBondContact O-N 3.22Å; K51-M53 PolarHBondContact O-N 2.8Å; M53-P55 VanDerWaalsContact C-CD 3.47Å; M53-P55 VanDerWaalsContact C-N 3.34Å
54R82.7Confident89.6Confident173 Ų17352.1 Ų52.165%0.65327%0.269SS*.SBendtrans47.449.9179.8-59.8-179.8-70.5179-3.3112.9F56 L57R54-F56 PolarHBondContact O-N 3.39Å; R54-L57 HydrophobicContact CB-CB 4.43Å; R54-L57 PolarHBondContact O-N 3.47Å
55P83.7Confident89.3Confident5 Ų550 Ų503%0.03225%0.246CC..THydrogen-bonded Turntrans-59.1-22.3-173.321.2-31.2000113.5L52 M53 H61 G62 T65 V99L52-P55 HydrophobicContact CB-CB 4.16Å; L52-P55 HydrophobicContact CB-CG 4.28Å; L52-P55 WeakPolarHBondContact O-CD 3.29Å; M53-P55 VanDerWaalsContact C-CD 3.47Å; M53-P55 VanDerWaalsContact C-N 3.34Å; P55-H61 CarbonylContact O-C 3.54Å; P55-H61 VanDerWaalsContact O-CB 3.29Å; P55-H61 WeakPolarHBondContact O-CB 3.46Å; P55-H61 VanDerWaalsContact O-O 3.07Å; P55-G62 WeakPolarHBondContact O-CA 3.22Å; P55-G62 PolarHBondContact O-N 3.38Å; P55-G62 VanDerWaalsContact O-N 3.15Å; P55-T65 WeakPolarHBondContact CA-OG1 3.43Å; P55-T65 HydrophobicContact CB-CG2 3.85Å; P55-T65 WeakPolarHBondContact CB-OG1 3.38Å; P55-T65 PolarHBondContact O-OG1 2.85Å; P55-V99 HydrophobicContact CG-CG2 4.38Å
56F88.6Confident89.1Confident9 Ų945 Ų454%0.03922%0.222CC..THydrogen-bonded Turntrans-123.939.7-174.7-54.8-70.9000112.6R54 T65 L96 V99 L348 K352R54-F56 PolarHBondContact O-N 3.39Å; F56-T65 HydrophobicContact CE1-CG2 4.36Å; F56-T65 HydrophobicContact CZ-CG2 3.96Å; F56-L96 HydrophobicContact CD2-CD2 4.33Å; F56-L96 HydrophobicContact CD2-CG 4.18Å; F56-L96 WeakPolarHBondContact CD2-O 3.31Å; F56-L96 HydrophobicContact CE2-CB 4.49Å; F56-L96 HydrophobicContact CE2-CD2 3.49Å; F56-L96 VanDerWaalsContact CE2-CD2 3.49Å; F56-L96 HydrophobicContact CE2-CG 3.61Å; F56-L96 HydrophobicContact CZ-CD2 3.65Å; F56-L96 HydrophobicContact CZ-CG 4.3Å; F56-V99 HydrophobicContact CE2-CG2 3.81Å; F56-V99 HydrophobicContact CZ-CG2 4.29Å; F56-L348 HydrophobicContact CB-CD1 3.79Å; F56-L348 HydrophobicContact CB-CG 4.48Å; F56-L348 HydrophobicContact CD1-CD1 4.33Å; F56-L348 VanDerWaalsContact O-CD2 3.25Å; F56-L348 WeakPolarHBondContact O-CD2 3.5Å; F56-K352 HydrophobicContact CB-CD 4.17Å; F56-K352 HydrophobicContact CB-CG 3.92Å; F56-K352 HydrophobicContact CD1-CB 4.47Å; F56-K352 HydrophobicContact CD1-CG 3.48Å; F56-K352 VanDerWaalsContact CD1-CG 3.48Å; F56-K352 HydrophobicContact CD2-CD 4.47Å; F56-K352 HydrophobicContact CD2-CG 3.95Å; F56-K352 HydrophobicContact CE1-CG 3.96Å; F56-K352 HydrophobicContact CE2-CG 4.4Å; F56-K352 HydrophobicContact CG-CD 4.16Å; F56-K352 HydrophobicContact CG-CG 3.49Å; F56-K352 VanDerWaalsContact CG-CG 3.49Å; F56-K352 HydrophobicContact CZ-CG 4.41Å
57L86.8Confident88.8Confident100 Ų10038.9 Ų38.952%0.52419%0.194SC..SBendtrans-67.9-37.6174.1-175.764.4000112.5R54R54-L57 HydrophobicContact CB-CB 4.43Å; R54-L57 PolarHBondContact O-N 3.47Å
58T88.5Confident88.5Confident62 Ų6239.1 Ų39.138%0.3820%0.195SC..SBendtrans-142.5165175.571.30000109.6V60 H61 G62 L348T58-V60 PolarHBondContact O-N 3.28Å; T58-V60 PolarHBondContact OG1-N 2.95Å; T58-H61 WeakPolarHBondContact O-CB 3.4Å; T58-H61 PolarHBondContact O-N 2.91Å; T58-H61 PolarHBondContact OG1-N 2.96Å; T58-H61 PolarHBondContact OG1-ND1 2.78Å; T58-G62 PolarHBondContact O-N 3.36Å; T58-L348 WeakPolarHBondContact O-CD1 3.29Å
59A88.7Confident88.2Confident36 Ų3638.8 Ų38.830%0.29819%0.192SC..Hα-helixtrans-56.2-33.7176.600000112.6G62 K63A59-G62 PolarHBondContact O-N 3.41Å; A59-K63 WeakPolarHBondContact O-CB 3.28Å; A59-K63 PolarHBondContact O-N 3.01Å
60V85.7Confident88.1Confident108 Ų10840.5 Ų40.566%0.65520%0.2SC*.Hα-helixtrans-63.7-42.5174.9178.40000111.8T58 R64T58-V60 PolarHBondContact O-N 3.28Å; T58-V60 PolarHBondContact OG1-N 2.95Å; V60-R64 WeakPolarHBondContact O-CB 3.44Å; V60-R64 PolarHBondContact O-N 2.82Å
61H86.2Confident88Confident55 Ų5538.9 Ų38.926%0.25519%0.192SC..Hα-helixtrans-66.4-41.3174.5-65.594.8000111.1P55 T58 K63 R64 T65P55-H61 CarbonylContact O-C 3.54Å; P55-H61 VanDerWaalsContact O-CB 3.29Å; P55-H61 WeakPolarHBondContact O-CB 3.46Å; P55-H61 VanDerWaalsContact O-O 3.07Å; T58-H61 WeakPolarHBondContact O-CB 3.4Å; T58-H61 PolarHBondContact O-N 2.91Å; T58-H61 PolarHBondContact OG1-N 2.96Å; T58-H61 PolarHBondContact OG1-ND1 2.78Å; H61-K63 PolarHBondContact O-N 3.33Å; H61-R64 WeakPolarHBondContact O-CB 3.38Å; H61-R64 PolarHBondContact O-N 3.38Å; H61-R64 VanDerWaalsContact O-N 3.14Å; H61-T65 PolarHBondContact O-N 2.94Å; H61-T65 PolarHBondContact O-OG1 3.47Å; H61-T65 VanDerWaalsContact O-OG1 3.07Å
62G90.1Very high88Confident0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-60-46.9176.900000112.2P55 T58 A59 R64 T65 Y66P55-G62 WeakPolarHBondContact O-CA 3.22Å; P55-G62 PolarHBondContact O-N 3.38Å; P55-G62 VanDerWaalsContact O-N 3.15Å; T58-G62 PolarHBondContact O-N 3.36Å; A59-G62 PolarHBondContact O-N 3.41Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.37Å; G62-T65 PolarHBondContact O-N 3.39Å; G62-Y66 PolarHBondContact O-N 2.91Å
63K89.4Confident88.2Confident41 Ų4142 Ų4218%0.17820%0.204CC..Hα-helixtrans-59.8-39.8173.3-170.2172.9-162.4177.40112.5A59 H61 Y66 R67 E342 L344 W351A59-K63 WeakPolarHBondContact O-CB 3.28Å; A59-K63 PolarHBondContact O-N 3.01Å; H61-K63 PolarHBondContact O-N 3.33Å; K63-Y66 PolarHBondContact O-N 3.07Å; K63-R67 WeakPolarHBondContact O-CB 3.22Å; K63-R67 PolarHBondContact O-N 3Å; K63-E342 WeakPolarHBondContact CE-O 3.49Å; K63-E342 WeakPolarHBondContact CE-OE2 3.21Å; K63-E342 PolarHBondContact NZ-O 2.88Å; K63-E342 IonicContact NZ-OE2 3.46Å; K63-L344 PolarHBondContact NZ-O 3.29Å; K63-W351 HydrophobicContact CB-CD2 4.08Å; K63-W351 HydrophobicContact CB-CH2 4.31Å; K63-W351 HydrophobicContact CB-CZ2 3.82Å; K63-W351 HydrophobicContact CD-CH2 4.26Å; K63-W351 HydrophobicContact CD-CZ2 3.7Å; K63-W351 HydrophobicContact CG-CH2 3.77Å; K63-W351 HydrophobicContact CG-CZ2 3.53Å; K63-W351 HydrophobicContact CG-CZ3 4.36Å
64R86.3Confident88.7Confident33 Ų3341.5 Ų41.513%0.12520%0.201CC..Hα-helixtrans-63.4-45.6175.9-174.1-179.9-175.3172.6-1.7112.4Y32 V60 H61 G62 R67 E68 G167 L168Y32-R64 VanDerWaalsContact CE1-NH1 3.34Å; Y32-R64 VanDerWaalsContact CZ-NH2 3.26Å; Y32-R64 PolarHBondContact OH-NH2 2.89Å; V60-R64 WeakPolarHBondContact O-CB 3.44Å; V60-R64 PolarHBondContact O-N 2.82Å; H61-R64 WeakPolarHBondContact O-CB 3.38Å; H61-R64 PolarHBondContact O-N 3.38Å; H61-R64 VanDerWaalsContact O-N 3.14Å; G62-R64 VanDerWaalsContact C-N 3.31Å; G62-R64 PolarHBondContact O-N 3.37Å; R64-R67 WeakPolarHBondContact O-CB 3.38Å; R64-R67 PolarHBondContact O-N 2.68Å; R64-E68 PolarHBondContact O-N 2.76Å; R64-G167 VanDerWaalsContact CZ-O 3.25Å; R64-G167 PolarHBondContact NE-O 2.89Å; R64-G167 PolarHBondContact NH2-O 3.48Å; R64-L168 VanDerWaalsContact NH2-CD2 3.28Å
65T87.9Confident89.3Confident9 Ų934 Ų346%0.05517%0.173CC..Hα-helixtrans-60.1-49.3175.5-60.30000110.9L52 P55 F56 H61 G62 R67 E68 V69L52-T65 HydrophobicContact CD1-CG2 3.58Å; P55-T65 WeakPolarHBondContact CA-OG1 3.43Å; P55-T65 HydrophobicContact CB-CG2 3.85Å; P55-T65 WeakPolarHBondContact CB-OG1 3.38Å; P55-T65 PolarHBondContact O-OG1 2.85Å; F56-T65 HydrophobicContact CE1-CG2 4.36Å; F56-T65 HydrophobicContact CZ-CG2 3.96Å; H61-T65 PolarHBondContact O-N 2.94Å; H61-T65 PolarHBondContact O-OG1 3.47Å; H61-T65 VanDerWaalsContact O-OG1 3.07Å; G62-T65 PolarHBondContact O-N 3.39Å; T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 3.11Å; T65-E68 PolarHBondContact O-N 2.9Å; T65-V69 WeakPolarHBondContact O-CG2 3.39Å; T65-V69 PolarHBondContact O-N 3.13Å
66Y91Very high89.8Confident24 Ų2440.3 Ų40.39%0.09421%0.207CC..Hα-helixtrans-58.7-43.8178-178.5-93.4000112.2G62 K63 V69 K70 F341 W351 K354 L358G62-Y66 PolarHBondContact O-N 2.91Å; K63-Y66 PolarHBondContact O-N 3.07Å; Y66-V69 PolarHBondContact O-N 3.06Å; Y66-K70 HydrophobicContact CE1-CB 4.4Å; Y66-K70 HydrophobicContact CE1-CD 3.81Å; Y66-K70 VanDerWaalsContact O-CB 3.26Å; Y66-K70 WeakPolarHBondContact O-CB 3.39Å; Y66-K70 PolarHBondContact O-N 3.25Å; Y66-F341 HydrophobicContact CD1-CB 4.49Å; Y66-F341 AromaticContact CD1-CD2 3.6Å; Y66-F341 HydrophobicContact CD1-CD2 3.6Å; Y66-F341 AromaticContact CD1-CE2 3.95Å; Y66-F341 HydrophobicContact CD1-CE2 3.95Å; Y66-F341 HydrophobicContact CD1-CG 4.01Å; Y66-F341 HydrophobicContact CE1-CB 3.91Å; Y66-F341 HydrophobicContact CE1-CD1 4.12Å; Y66-F341 AromaticContact CE1-CD2 3.75Å; Y66-F341 HydrophobicContact CE1-CD2 3.75Å; Y66-F341 HydrophobicContact CE1-CE2 4.32Å; Y66-F341 AromaticContact CE1-CG 3.64Å; Y66-F341 HydrophobicContact CE1-CG 3.64Å; Y66-W351 HydrophobicContact CD1-CE3 4.3Å; Y66-W351 AromaticContact CD1-CZ3 3.64Å; Y66-W351 HydrophobicContact CD1-CZ3 3.64Å; Y66-W351 HydrophobicContact CE1-CZ3 4.26Å; Y66-W351 AromaticContact CG-CE3 3.96Å; Y66-W351 HydrophobicContact CG-CE3 3.96Å; Y66-W351 AromaticContact CG-CZ3 3.79Å; Y66-W351 HydrophobicContact CG-CZ3 3.79Å; Y66-K354 HydrophobicContact CD2-CB 3.78Å; Y66-K354 HydrophobicContact CE2-CB 3.62Å; Y66-K354 HydrophobicContact CE2-CD 4.37Å; Y66-L358 HydrophobicContact CD2-CD1 3.5Å; Y66-L358 HydrophobicContact CD2-CG 4.36Å; Y66-L358 HydrophobicContact CE2-CD1 3.16Å; Y66-L358 HydrophobicContact CE2-CG 3.72Å; Y66-L358 HydrophobicContact CG-CD1 4.37Å
67R90Very high90.2Very high8 Ų840.7 Ų40.73%0.0321%0.209CC..Hα-helixtrans-58-52175.2-178.1-171.7-57.198.53.3111.7K63 R64 T65 V69 K70 V71 A169 F341 E342K63-R67 WeakPolarHBondContact O-CB 3.22Å; K63-R67 PolarHBondContact O-N 3Å; R64-R67 WeakPolarHBondContact O-CB 3.38Å; R64-R67 PolarHBondContact O-N 2.68Å; T65-R67 VanDerWaalsContact C-N 3.32Å; T65-R67 PolarHBondContact O-N 3.11Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 3.01Å; R67-K70 PolarHBondContact O-N 2.93Å; R67-V71 HydrophobicContact CG-CG2 4.24Å; R67-V71 WeakPolarHBondContact O-CB 3.4Å; R67-V71 WeakPolarHBondContact O-CG2 3.44Å; R67-V71 PolarHBondContact O-N 3.36Å; R67-A169 WeakPolarHBondContact CD-O 3.33Å; R67-F341 HydrophobicContact CB-CE2 3.86Å; R67-F341 HydrophobicContact CB-CZ 4.04Å; R67-F341 HydrophobicContact CG-CE2 4.23Å; R67-F341 HydrophobicContact CG-CZ 3.97Å; R67-E342 IonicContact CZ-OE1 3.41Å; R67-E342 IonicContact CZ-OE2 2.75Å; R67-E342 IonicContact NE-OE1 3.33Å; R67-E342 PolarHBondContact NE-OE1 3.34Å; R67-E342 IonicContact NE-OE2 3.15Å; R67-E342 IonicContact NH2-OE1 2.61Å; R67-E342 PolarHBondContact NH2-OE1 2.78Å; R67-E342 IonicContact NH2-OE2 3.48Å; R67-E342 PolarHBondContact NH2-OE2 3.12Å
68E89Confident90.6Very high11 Ų1141.9 Ų41.95%0.05121%0.211CC..Hα-helixtrans-57.6-47-177.8-175.4174.2175.700110.6K50 R64 T65 V71 L72K50-E68 IonicContact NZ-OE1 2.86Å; K50-E68 PolarHBondContact NZ-OE1 3.44Å; R64-E68 PolarHBondContact O-N 2.76Å; T65-E68 PolarHBondContact O-N 2.9Å; E68-V71 PolarHBondContact O-N 3.45Å; E68-L72 HydrophobicContact CG-CD1 4.03Å; E68-L72 WeakPolarHBondContact O-CB 3.33Å; E68-L72 VanDerWaalsContact O-CG 3.26Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.06Å
69V90.2Very high91Very high3 Ų339.2 Ų39.22%0.01820%0.195CC..Hα-helixtrans-61.7-46.8175.9176.80000111.9T65 Y66 R67 V71 L72 R73 L86 L101 L358T65-V69 WeakPolarHBondContact O-CG2 3.39Å; T65-V69 PolarHBondContact O-N 3.13Å; Y66-V69 PolarHBondContact O-N 3.06Å; R67-V69 VanDerWaalsContact C-N 3.31Å; R67-V69 PolarHBondContact O-N 3.01Å; V69-V71 PolarHBondContact O-N 3.26Å; V69-L72 PolarHBondContact O-N 3.3Å; V69-R73 HydrophobicContact CG1-CG 4.5Å; V69-R73 WeakPolarHBondContact O-CB 3.32Å; V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.18Å; V69-L86 HydrophobicContact CG1-CD1 4.4Å; V69-L86 HydrophobicContact CG1-CD2 3.41Å; V69-L86 VanDerWaalsContact CG1-CD2 3.41Å; V69-L86 HydrophobicContact CG2-CD1 4.33Å; V69-L101 HydrophobicContact CG2-CD2 3.97Å; V69-L358 HydrophobicContact CB-CD1 4.32Å; V69-L358 HydrophobicContact CG1-CB 4.19Å; V69-L358 HydrophobicContact CG1-CD1 3.87Å
70K91.5Very high91.4Very high37 Ų3737.6 Ų37.616%0.16118%0.181CC..Hα-helixtrans-64.2-41.1-177.8-177.5166.4176177.30111.7Y66 R67 H74 I337 D338 F341 L358Y66-K70 HydrophobicContact CE1-CB 4.4Å; Y66-K70 HydrophobicContact CE1-CD 3.81Å; Y66-K70 VanDerWaalsContact O-CB 3.26Å; Y66-K70 WeakPolarHBondContact O-CB 3.39Å; Y66-K70 PolarHBondContact O-N 3.25Å; R67-K70 PolarHBondContact O-N 2.93Å; K70-H74 PolarHBondContact O-N 3.16Å; K70-I337 HydrophobicContact CG-CD1 4.05Å; K70-D338 WeakPolarHBondContact CE-O 3.26Å; K70-D338 PolarHBondContact NZ-O 3.45Å; K70-D338 IonicContact NZ-OD2 2.96Å; K70-F341 HydrophobicContact CD-CD1 3.75Å; K70-F341 HydrophobicContact CD-CE1 3.65Å; K70-F341 HydrophobicContact CD-CZ 4.43Å; K70-L358 HydrophobicContact CB-CD1 4.41Å
71V91.4Very high91.8Very high0 Ų033.7 Ų33.70%016%0.156CC..Hα-helixtrans-64-51.5175.2168.40000110.5R67 E68 V69 R73 H74 M75 I143 F166 I337 F339R67-V71 HydrophobicContact CG-CG2 4.24Å; R67-V71 WeakPolarHBondContact O-CB 3.4Å; R67-V71 WeakPolarHBondContact O-CG2 3.44Å; R67-V71 PolarHBondContact O-N 3.36Å; E68-V71 PolarHBondContact O-N 3.45Å; V69-V71 PolarHBondContact O-N 3.26Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 3.24Å; V71-H74 WeakPolarHBondContact O-CB 3.47Å; V71-H74 PolarHBondContact O-N 3.08Å; V71-M75 HydrophobicContact CG1-CG 4.33Å; V71-M75 WeakPolarHBondContact O-CG 3.22Å; V71-M75 PolarHBondContact O-N 2.94Å; V71-I143 HydrophobicContact CB-CD1 4.4Å; V71-I143 HydrophobicContact CG1-CD1 3.7Å; V71-I143 HydrophobicContact CG2-CD1 4.02Å; V71-F166 HydrophobicContact CG1-CB 3.97Å; V71-F166 HydrophobicContact CG1-CD1 3.74Å; V71-F166 HydrophobicContact CG1-CD2 4.09Å; V71-F166 HydrophobicContact CG1-CE1 4.21Å; V71-F166 HydrophobicContact CG1-CG 3.66Å; V71-I337 HydrophobicContact CG2-CD1 4.15Å; V71-F339 HydrophobicContact CG2-CE1 4.44Å; V71-F339 HydrophobicContact CG2-CZ 4.48Å
72L92.5Very high92.1Very high11 Ų1132.9 Ų32.96%0.05815%0.154CC..Hα-helixtrans-58.3-37.6-179.6-75.9171.1000112.9E68 V69 H74 M75 I81 L83 L101 F166E68-L72 HydrophobicContact CG-CD1 4.03Å; E68-L72 WeakPolarHBondContact O-CB 3.33Å; E68-L72 VanDerWaalsContact O-CG 3.26Å; E68-L72 WeakPolarHBondContact O-CG 3.48Å; E68-L72 PolarHBondContact O-N 3.06Å; V69-L72 PolarHBondContact O-N 3.3Å; L72-H74 PolarHBondContact O-N 2.85Å; L72-M75 PolarHBondContact O-N 3.25Å; L72-I81 HydrophobicContact CD2-CG2 3.53Å; L72-L83 HydrophobicContact CB-CB 4.15Å; L72-L83 HydrophobicContact CB-CD2 4.15Å; L72-L101 HydrophobicContact CD1-CD1 3.72Å; L72-F166 HydrophobicContact CD2-CD2 3.75Å; L72-F166 HydrophobicContact CD2-CE2 4.19Å; L72-F166 HydrophobicContact CG-CD2 4.4Å
73R91Very high92.3Very high82 Ų8233.6 Ų33.631%0.30916%0.158SC..Hα-helixtrans-68.6-20.2175.3-78-169.365.4-172.9-11114.5V69 V71 L83 L358 F361V69-R73 HydrophobicContact CG1-CG 4.5Å; V69-R73 WeakPolarHBondContact O-CB 3.32Å; V69-R73 WeakPolarHBondContact O-CG 3.39Å; V69-R73 PolarHBondContact O-N 3.18Å; V71-R73 VanDerWaalsContact C-N 3.26Å; V71-R73 PolarHBondContact O-N 3.24Å; R73-L83 HydrophobicContact CG-CD2 3.47Å; R73-L83 VanDerWaalsContact CG-CD2 3.47Å; R73-L358 PolarHBondContact NH1-O 3.45Å; R73-F361 VanDerWaalsContact NH2-CD1 3.27Å
74H92.4Very high92.5Very high65 Ų6534.1 Ų34.130%0.30116%0.164SC..Hα-helixtrans-93.4-19.2-178.3-166.590000112.1K70 V71 L72 C334 E335 I337K70-H74 PolarHBondContact O-N 3.16Å; V71-H74 WeakPolarHBondContact O-CB 3.47Å; V71-H74 PolarHBondContact O-N 3.08Å; L72-H74 PolarHBondContact O-N 2.85Å; H74-C334 VanDerWaalsContact CD2-SG 3.55Å; H74-E335 PolarHBondContact NE2-O 3.26Å; H74-I337 HydrophobicContact CB-CD1 3.63Å; H74-I337 HydrophobicContact CB-CG1 4.13Å
75M94Very high92.8Very high14 Ų1432.9 Ų32.97%0.06916%0.16CC..  trans-82.6129.9-179.9-60.4-62.798.100110.6V71 L72 V80 Y137 I138 A141 I143 F166V71-M75 HydrophobicContact CG1-CG 4.33Å; V71-M75 WeakPolarHBondContact O-CG 3.22Å; V71-M75 PolarHBondContact O-N 2.94Å; L72-M75 PolarHBondContact O-N 3.25Å; M75-V80 HydrophobicContact CB-CG1 3.84Å; M75-V80 HydrophobicContact CG-CG1 3.84Å; M75-V80 HydrophobicContact SD-CG1 4.29Å; M75-Y137 HydrophobicContact CE-CE1 4.49Å; M75-Y137 HydrophobicContact SD-CD1 4.16Å; M75-Y137 HydrophobicContact SD-CE1 4Å; M75-I138 HydrophobicContact SD-CG1 4.11Å; M75-A141 HydrophobicContact CE-CB 3.93Å; M75-I143 HydrophobicContact CE-CD1 3.49Å; M75-I143 VanDerWaalsContact CE-CD1 3.49Å; M75-I143 HydrophobicContact SD-CD1 4.37Å; M75-F166 HydrophobicContact CG-CE2 4.16Å; M75-F166 HydrophobicContact CG-CZ 4.06Å; M75-F166 HydrophobicContact SD-CZ 4.27Å
76D94.6Very high93.1Very high138 Ų13832.5 Ų32.574%0.73816%0.158SC*.  trans-142.790.9169.8-177.118.9000108.8Y137D76-Y137 PolarHBondContact N-OH 3.17Å; D76-Y137 VanDerWaalsContact N-OH 3.13Å; D76-Y137 PolarHBondContact O-OH 3.33Å
77H96.3Very high93.2Very high18 Ų1831.4 Ų31.48%0.08315%0.153CC..  trans-160.7137.6-174-174.1-85.3000110.9N79 V80 R133 Y137H77-N79 VanDerWaalsContact C-N 3.27Å; H77-N79 PolarHBondContact CE1-OD1 3.4Å; H77-N79 PolarHBondContact ND1-N 3.28Å; H77-N79 PolarHBondContact O-N 3.03Å; H77-V80 HydrophobicContact CB-CB 4.11Å; H77-V80 HydrophobicContact CB-CG2 3.96Å; H77-V80 PolarHBondContact O-N 3.2Å; H77-R133 PolarHBondContact CE1-NH1 3.18Å; H77-R133 VanDerWaalsContact CE1-NH1 3.29Å; H77-Y137 HydrophobicContact CB-CD1 3.78Å; H77-Y137 HydrophobicContact CB-CD2 4.09Å; H77-Y137 HydrophobicContact CB-CE1 3.91Å; H77-Y137 HydrophobicContact CB-CE2 4.18Å; H77-Y137 HydrophobicContact CB-CG 3.87Å; H77-Y137 AromaticContact CD2-CD2 3.55Å; H77-Y137 AromaticContact CD2-CG 3.66Å; H77-Y137 AromaticContact CG-CG 3.87Å
78E95.2Very high93.3Very high124 Ų12431.3 Ų31.358%0.57915%0.154SC*.THydrogen-bonded Turntrans-61.6-32.9-173.9-61.9167.7113.300113.8R133 R162E78-R133 IonicContact OE2-CZ 2.83Å; E78-R133 IonicContact OE2-NH1 3.28Å; E78-R133 PolarHBondContact OE2-NH1 3.38Å; E78-R133 IonicContact OE2-NH2 3.96Å; E78-R133 PolarHBondContact OE2-NH2 3.45Å; E78-R162 VanDerWaalsContact O-CG 3.23Å; E78-R162 WeakPolarHBondContact O-CG 3.27Å; E78-R162 PolarHBondContact O-NE 3.3Å
79N97.2Very high93.4Very high7 Ų732.2 Ų32.24%0.03716%0.161CC..THydrogen-bonded Turntrans-91.311.7177.1-51.2118.2000115.5H77 Q130 R133 L161 I163H77-N79 VanDerWaalsContact C-N 3.27Å; H77-N79 PolarHBondContact CE1-OD1 3.4Å; H77-N79 PolarHBondContact ND1-N 3.28Å; H77-N79 PolarHBondContact O-N 3.03Å; N79-Q130 WeakPolarHBondContact CB-O 3.48Å; N79-Q130 WeakPolarHBondContact ND2-CB 3.29Å; N79-Q130 PolarHBondContact ND2-OE1 3.29Å; N79-R133 WeakPolarHBondContact OD1-CD 3.35Å; N79-R133 PolarHBondContact OD1-NH1 3.05Å; N79-L161 WeakPolarHBondContact CA-O 3.21Å; N79-L161 PolarHBondContact ND2-O 2.67Å; N79-I163 PolarHBondContact O-N 3.4Å
80V96.5Very high93.5Very high1 Ų133.6 Ų33.61%0.00617%0.168CC..BIsolated β-bridgetrans-122.7142.3175.3-178.10000108.3M75 H77 D82 Y137 I138 F166M75-V80 HydrophobicContact CB-CG1 3.84Å; M75-V80 HydrophobicContact CG-CG1 3.84Å; M75-V80 HydrophobicContact SD-CG1 4.29Å; H77-V80 HydrophobicContact CB-CB 4.11Å; H77-V80 HydrophobicContact CB-CG2 3.96Å; H77-V80 PolarHBondContact O-N 3.2Å; V80-D82 PolarHBondContact O-N 3.44Å; V80-Y137 HydrophobicContact CG2-CD1 4.49Å; V80-I138 HydrophobicContact CG1-CD1 4.46Å; V80-I138 HydrophobicContact CG2-CD1 3.9Å; V80-I138 HydrophobicContact CG2-CG1 3.93Å; V80-F166 HydrophobicContact CG1-CE2 3.62Å; V80-F166 HydrophobicContact CG1-CZ 3.46Å; V80-F166 VanDerWaalsContact CG1-CZ 3.46Å
81I94.4Very high93.1Very high26 Ų2638.5 Ų38.513%0.13319%0.191CC..  trans-56.1134.7175.8-167.4-179.9000110.7L72 I163 L164 F166L72-I81 HydrophobicContact CD2-CG2 3.53Å; I81-I163 WeakPolarHBondContact CB-O 3.35Å; I81-I163 WeakPolarHBondContact CG2-O 3.38Å; I81-I163 PolarHBondContact N-O 3.35Å; I81-L164 HydrophobicContact CB-CD2 3.98Å; I81-L164 HydrophobicContact CD1-CD2 3.85Å; I81-L164 HydrophobicContact CG1-CD2 4.05Å; I81-F166 HydrophobicContact CG2-CD2 4.18Å; I81-F166 HydrophobicContact CG2-CE2 3.85Å
82D93Very high92.9Very high39 Ų3942.7 Ų42.721%0.20921%0.214CC..  trans-87.4160176.256.2-10000111.4V80 S103 S104 R162V80-D82 PolarHBondContact O-N 3.44Å; D82-S103 WeakPolarHBondContact O-CB 3.48Å; D82-S104 PolarHBondContact OD1-N 3Å; D82-S104 WeakPolarHBondContact OD2-CB 3.32Å; D82-S104 PolarHBondContact OD2-OG 2.83Å; D82-R162 IonicContact OD1-NH1 3.05Å; D82-R162 PolarHBondContact OD1-NH1 2.62Å; D82-R162 IonicContact OD2-CZ 2.93Å; D82-R162 IonicContact OD2-NH1 3.89Å; D82-R162 PolarHBondContact OD2-NH1 3.27Å
83L93.7Very high92.5Very high15 Ų1543.7 Ų43.78%0.07922%0.222CC..  trans-116.598.5167-173.671.9000108.7L72 R73 D85 L86 L101 V102 F366L72-L83 HydrophobicContact CB-CB 4.15Å; L72-L83 HydrophobicContact CB-CD2 4.15Å; R73-L83 HydrophobicContact CG-CD2 3.47Å; R73-L83 VanDerWaalsContact CG-CD2 3.47Å; L83-D85 WeakPolarHBondContact CD1-O 3.31Å; L83-L86 HydrophobicContact CD2-CB 4.33Å; L83-L101 HydrophobicContact CD1-CB 3.97Å; L83-L101 HydrophobicContact CD1-CD2 4.03Å; L83-V102 CarbonylContact C-O 3.6Å; L83-F366 WeakPolarHBondContact O-CZ 3.45Å
84V93.3Very high92.2Very high52 Ų5246.9 Ų46.932%0.31524%0.24SC..  trans-76-39.2-179.4177.80000110.9V102V84-V102 HydrophobicContact CB-CG1 4.41Å; V84-V102 PolarHBondContact N-O 2.96Å
85D93.5Very high91.9Very high6 Ų645.3 Ų45.33%0.03224%0.241CC..EExtended strand (participates in β ladder)trans-152.5156.5177.4-174.232.5000111.7R20 Y21 L83 F87 V102R20-D85 IonicContact CZ-OD2 3.03Å; R20-D85 IonicContact NH2-OD1 2.59Å; R20-D85 IonicContact NH2-OD2 3.72Å; R20-D85 PolarHBondContact NH2-OD2 2.65Å; Y21-D85 WeakPolarHBondContact OH-CB 2.88Å; Y21-D85 PolarHBondContact OH-OD2 3.11Å; Y21-D85 VanDerWaalsContact OH-OD2 3.07Å; L83-D85 WeakPolarHBondContact CD1-O 3.31Å; D85-F87 VanDerWaalsContact OD2-CD1 3.27Å; D85-F87 WeakPolarHBondContact OD2-CD1 3.25Å; D85-V102 HydrophobicContact CB-CB 3.79Å; D85-V102 HydrophobicContact CB-CG2 3.84Å; D85-V102 PolarHBondContact N-O 3.42Å; D85-V102 PolarHBondContact O-N 3.12Å
86L94.2Very high91.7Very high1 Ų144.7 Ų44.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-140.9116.4176.6164.767.8000108.5V69 L83 V99 L101 L358 A362V69-L86 HydrophobicContact CG1-CD1 4.4Å; V69-L86 HydrophobicContact CG1-CD2 3.41Å; V69-L86 VanDerWaalsContact CG1-CD2 3.41Å; V69-L86 HydrophobicContact CG2-CD1 4.33Å; L83-L86 HydrophobicContact CD2-CB 4.33Å; L86-V99 HydrophobicContact CD1-CG1 3.86Å; L86-L101 HydrophobicContact CD1-CD2 3.48Å; L86-L101 VanDerWaalsContact CD1-CD2 3.48Å; L86-L358 HydrophobicContact CD2-CB 4.48Å; L86-A362 HydrophobicContact CB-CB 4.23Å
87F93.3Very high91.4Very high1 Ų142.2 Ų42.20%0.00423%0.225CC..EExtended strand (participates in β ladder)trans-140.3159.3-177.268.3-94.9000113.7Y5 V17 P18 Y21 I49 D85 Y100 V102Y5-F87 AromaticContact CE1-CD2 3.88Å; Y5-F87 HydrophobicContact CE1-CD2 3.88Å; Y5-F87 HydrophobicContact CE1-CE2 4.25Å; V17-F87 HydrophobicContact CB-CE2 4.17Å; V17-F87 HydrophobicContact CB-CZ 4.02Å; V17-F87 HydrophobicContact CG1-CE2 4.05Å; V17-F87 HydrophobicContact CG1-CZ 3.83Å; P18-F87 VanDerWaalsContact CD-CZ 3.45Å; P18-F87 HydrophobicContact CG-CD1 4.39Å; P18-F87 HydrophobicContact CG-CD2 4.11Å; P18-F87 HydrophobicContact CG-CE1 4.46Å; P18-F87 HydrophobicContact CG-CE2 4.22Å; P18-F87 HydrophobicContact CG-CG 4.2Å; P18-F87 HydrophobicContact CG-CZ 4.38Å; Y21-F87 AromaticContact CD2-CE1 3.99Å; Y21-F87 HydrophobicContact CD2-CE1 3.99Å; Y21-F87 HydrophobicContact CD2-CZ 4.24Å; Y21-F87 HydrophobicContact CE2-CD1 4.06Å; Y21-F87 AromaticContact CE2-CE1 3.5Å; Y21-F87 HydrophobicContact CE2-CE1 3.5Å; Y21-F87 VanDerWaalsContact CE2-CE1 3.5Å; Y21-F87 HydrophobicContact CE2-CZ 4.19Å; I49-F87 HydrophobicContact CG2-CE1 4.42Å; I49-F87 HydrophobicContact CG2-CZ 4.19Å; D85-F87 VanDerWaalsContact OD2-CD1 3.27Å; D85-F87 WeakPolarHBondContact OD2-CD1 3.25Å; F87-Y100 AromaticContact CD2-CD2 3.68Å; F87-Y100 HydrophobicContact CD2-CD2 3.68Å; F87-Y100 HydrophobicContact CD2-CG 4.08Å; F87-Y100 HydrophobicContact CE1-CG 4.45Å; F87-Y100 VanDerWaalsContact CE2-CB 3.45Å; F87-Y100 HydrophobicContact CE2-CD1 4.23Å; F87-Y100 AromaticContact CE2-CD2 3.24Å; F87-Y100 HydrophobicContact CE2-CD2 3.24Å; F87-Y100 AromaticContact CE2-CE2 3.99Å; F87-Y100 HydrophobicContact CE2-CE2 3.99Å; F87-Y100 AromaticContact CE2-CG 3.38Å; F87-Y100 HydrophobicContact CE2-CG 3.38Å; F87-Y100 HydrophobicContact CZ-CD1 4.24Å; F87-Y100 AromaticContact CZ-CD2 4Å; F87-Y100 HydrophobicContact CZ-CD2 4Å; F87-Y100 AromaticContact CZ-CG 3.62Å; F87-Y100 HydrophobicContact CZ-CG 3.62Å; F87-Y100 PolarHBondContact N-O 3.2Å; F87-Y100 VanDerWaalsContact N-O 3.14Å; F87-Y100 PolarHBondContact O-N 3.24Å; F87-V102 HydrophobicContact CD1-CG2 3.95Å; F87-V102 HydrophobicContact CE1-CG2 3.5Å; F87-V102 VanDerWaalsContact CE1-CG2 3.5Å
88T92.9Very high91.1Very high7 Ų742.4 Ų42.44%0.04323%0.227CC..  trans-141.3139.2170.3171.40000109.5Y5 D90 L96 N98 L356 R363Y5-T88 PolarHBondContact OH-O 3.13Å; T88-D90 VanDerWaalsContact C-N 3.28Å; T88-D90 WeakPolarHBondContact OG1-CB 3.49Å; T88-D90 PolarHBondContact OG1-N 2.75Å; T88-L96 HydrophobicContact CG2-CD1 3.95Å; T88-L96 VanDerWaalsContact OG1-CD1 3.26Å; T88-L96 WeakPolarHBondContact OG1-CD1 2.98Å; T88-N98 WeakPolarHBondContact CA-O 3.4Å; T88-N98 WeakPolarHBondContact CB-O 3.46Å; T88-N98 PolarHBondContact OG1-O 3.45Å; T88-L356 HydrophobicContact CG2-CD1 3.59Å; T88-R363 PolarHBondContact O-NH2 3.2Å
89P91Very high91Very high30 Ų3036.9 Ų36.920%0.19520%0.202CC..SBendtrans-76.9-16.4167.835.1-38.6000112.4Y5 I16 N98 Y100Y5-P89 HydrophobicContact CD1-CB 3.81Å; Y5-P89 HydrophobicContact CE1-CB 3.85Å; Y5-P89 HydrophobicContact CG-CB 4.36Å; I16-P89 HydrophobicContact CB-CB 4.19Å; I16-P89 HydrophobicContact CB-CG 3.95Å; I16-P89 HydrophobicContact CD1-CG 4.47Å; I16-P89 HydrophobicContact CG2-CB 3.54Å; I16-P89 HydrophobicContact CG2-CG 3.88Å; P89-N98 HydrophobicContact CG-CB 3.76Å; P89-Y100 HydrophobicContact CG-CE2 4.33Å
90D90.9Very high90.8Very high31 Ų3136.6 Ų36.617%0.16620%0.2CC..  trans-80.2124.3-175.2-52.1-34.7000109.6T88 L96 N97 N98T88-D90 VanDerWaalsContact C-N 3.28Å; T88-D90 WeakPolarHBondContact OG1-CB 3.49Å; T88-D90 PolarHBondContact OG1-N 2.75Å; D90-L96 HydrophobicContact CB-CD1 4.01Å; D90-N97 PolarHBondContact OD2-N 3.04Å; D90-N98 PolarHBondContact OD1-ND2 3.04Å; D90-N98 VanDerWaalsContact OD1-ND2 3.12Å; D90-N98 WeakPolarHBondContact OD2-CB 3.4Å; D90-N98 PolarHBondContact OD2-N 3.09Å; D90-N98 PolarHBondContact OD2-ND2 3.15Å
91E84.2Confident90.7Very high141 Ų14136.9 Ų36.966%0.65920%0.201SC*.  trans-82.7-20.3-169-58.2-172.3174.600114.5K2K2-E91 WeakPolarHBondContact CE-OE1 3.41Å; K2-E91 VanDerWaalsContact NZ-CD 3.33Å; K2-E91 IonicContact NZ-OE1 3.64Å; K2-E91 PolarHBondContact NZ-OE1 3.09Å; K2-E91 IonicContact NZ-OE2 2.76Å
92N86.1Confident90.7Very high87 Ų8735.7 Ų35.747%0.46520%0.195SC..SBendtrans-134.9156.2-174.661.857.2000111.8E94 G95 L96N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 3.27Å; N92-E94 PolarHBondContact OD1-N 3.33Å; N92-G95 PolarHBondContact O-N 2.8Å; N92-G95 PolarHBondContact OD1-N 3.4Å; N92-L96 PolarHBondContact O-N 3.48Å
93S85.6Confident90.7Very high33 Ų3334.5 Ų34.523%0.23119%0.19CC..THydrogen-bonded Turntrans-66.4-30.2-177.356.50000112.6L96 K352S93-L96 PolarHBondContact O-N 3.39Å; S93-K352 VanDerWaalsContact O-CB 3.28Å; S93-K352 WeakPolarHBondContact O-CB 3.43Å; S93-K352 WeakPolarHBondContact O-CD 3.42Å
94E84.3Confident90.7Very high149 Ų14935.7 Ų35.770%0.69620%0.2SC*.THydrogen-bonded Turntrans-64-44.4178.6-66.6-174.3168.300111.7N92 K352N92-E94 VanDerWaalsContact C-N 3.31Å; N92-E94 PolarHBondContact O-N 3.27Å; N92-E94 PolarHBondContact OD1-N 3.33Å; E94-K352 PolarHBondContact O-NZ 2.95Å
95G86.1Confident90.7Very high31 Ų3136 Ų3632%0.3220%0.199SC..THydrogen-bonded Turntrans-84.9-6.3-178.600000115.6N92 N97N92-G95 PolarHBondContact O-N 2.8Å; N92-G95 PolarHBondContact OD1-N 3.4Å; G95-N97 PolarHBondContact O-N 3.16Å; G95-N97 VanDerWaalsContact O-N 3.14Å; G95-N97 PolarHBondContact O-ND2 3.36Å
96L88.9Confident90.5Very high1 Ų137.5 Ų37.51%0.00521%0.207CC..  trans-60.8116.5-174.3-173.967.6000111.8F56 T88 D90 N92 S93 V99 K352 L356F56-L96 HydrophobicContact CD2-CD2 4.33Å; F56-L96 HydrophobicContact CD2-CG 4.18Å; F56-L96 WeakPolarHBondContact CD2-O 3.31Å; F56-L96 HydrophobicContact CE2-CB 4.49Å; F56-L96 HydrophobicContact CE2-CD2 3.49Å; F56-L96 VanDerWaalsContact CE2-CD2 3.49Å; F56-L96 HydrophobicContact CE2-CG 3.61Å; F56-L96 HydrophobicContact CZ-CD2 3.65Å; F56-L96 HydrophobicContact CZ-CG 4.3Å; T88-L96 HydrophobicContact CG2-CD1 3.95Å; T88-L96 VanDerWaalsContact OG1-CD1 3.26Å; T88-L96 WeakPolarHBondContact OG1-CD1 2.98Å; D90-L96 HydrophobicContact CB-CD1 4.01Å; N92-L96 PolarHBondContact O-N 3.48Å; S93-L96 PolarHBondContact O-N 3.39Å; L96-V99 HydrophobicContact CD1-CG2 4.14Å; L96-V99 HydrophobicContact CG-CG2 4.35Å; L96-K352 HydrophobicContact CB-CB 4.35Å; L96-K352 HydrophobicContact CB-CD 4.19Å; L96-K352 HydrophobicContact CB-CG 4.39Å; L96-K352 HydrophobicContact CD2-CB 4.15Å; L96-K352 HydrophobicContact CD2-CG 4.5Å; L96-K352 WeakPolarHBondContact CD2-O 3.41Å; L96-K352 VanDerWaalsContact O-CE 3.32Å; L96-K352 WeakPolarHBondContact O-CE 3.5Å; L96-K352 PolarHBondContact O-NZ 2.61Å; L96-K352 VanDerWaalsContact O-NZ 3.16Å; L96-L356 HydrophobicContact CD1-CD1 4.31Å; L96-L356 HydrophobicContact CD2-CB 4.28Å
97N88.4Confident90Very high87 Ų8740.2 Ų40.247%0.46524%0.235SC..  trans-143.2-22.9179.8-73.6-63.7000112.9D90 G95D90-N97 PolarHBondContact OD2-N 3.04Å; G95-N97 PolarHBondContact O-N 3.16Å; G95-N97 VanDerWaalsContact O-N 3.14Å; G95-N97 PolarHBondContact O-ND2 3.36Å
98N90.5Very high89.9Confident22 Ų2242.2 Ų42.212%0.11825%0.249CC..  trans-109.397.5-175.6-63.5-71.3000110.3K51 T88 P89 D90 Y100K51-N98 VanDerWaalsContact CE-OD1 3.27Å; K51-N98 WeakPolarHBondContact CE-OD1 3.43Å; K51-N98 PolarHBondContact NZ-OD1 2.98Å; T88-N98 WeakPolarHBondContact CA-O 3.4Å; T88-N98 WeakPolarHBondContact CB-O 3.46Å; T88-N98 PolarHBondContact OG1-O 3.45Å; P89-N98 HydrophobicContact CG-CB 3.76Å; D90-N98 PolarHBondContact OD1-ND2 3.04Å; D90-N98 VanDerWaalsContact OD1-ND2 3.12Å; D90-N98 WeakPolarHBondContact OD2-CB 3.4Å; D90-N98 PolarHBondContact OD2-N 3.09Å; D90-N98 PolarHBondContact OD2-ND2 3.15Å; N98-Y100 HydrophobicContact CB-CE2 3.76Å
99V92.1Very high89.7Confident8 Ų843.9 Ų43.95%0.04826%0.258CS..  trans-114.1128.8174.7-178.80000108.7L52 P55 F56 L86 L96L52-V99 HydrophobicContact CB-CB 4.46Å; L52-V99 HydrophobicContact CD1-CB 4.1Å; L52-V99 HydrophobicContact CD1-CG1 3.87Å; L52-V99 HydrophobicContact CG-CB 4.46Å; L52-V99 HydrophobicContact CG-CG1 4.49Å; L52-V99 PolarHBondContact N-O 2.88Å; P55-V99 HydrophobicContact CG-CG2 4.38Å; F56-V99 HydrophobicContact CE2-CG2 3.81Å; F56-V99 HydrophobicContact CZ-CG2 4.29Å; L86-V99 HydrophobicContact CD1-CG1 3.86Å; L96-V99 HydrophobicContact CD1-CG2 4.14Å; L96-V99 HydrophobicContact CG-CG2 4.35Å
100Y93.7Very high89.7Confident0 Ų042.5 Ų42.50%025%0.248CC..EExtended strand (participates in β ladder)trans-120.4132.2-179-58-91.4000110.2W15 I16 V17 I49 K50 K51 F87 P89 N98W15-Y100 HydrophobicContact CD2-CE1 4.43Å; W15-Y100 HydrophobicContact CE3-CD1 4.03Å; W15-Y100 AromaticContact CE3-CE1 3.6Å; W15-Y100 HydrophobicContact CE3-CE1 3.6Å; W15-Y100 HydrophobicContact CZ3-CD1 4.13Å; W15-Y100 HydrophobicContact CZ3-CE1 4.09Å; I16-Y100 PolarHBondContact N-OH 3.13Å; I16-Y100 WeakPolarHBondContact O-CE2 3.35Å; V17-Y100 HydrophobicContact CG1-CD1 4.31Å; V17-Y100 HydrophobicContact CG1-CE1 4.17Å; I49-Y100 HydrophobicContact CG2-CD1 4.08Å; K50-Y100 WeakPolarHBondContact O-CA 3.48Å; K51-Y100 HydrophobicContact CB-CD1 3.83Å; K51-Y100 HydrophobicContact CB-CE1 3.71Å; K51-Y100 HydrophobicContact CD-CE1 3.67Å; K51-Y100 WeakPolarHBondContact CE-OH 3.42Å; K51-Y100 HydrophobicContact CG-CD1 4.02Å; K51-Y100 HydrophobicContact CG-CE1 3.56Å; K51-Y100 PolarHBondContact NZ-OH 3.24Å; F87-Y100 AromaticContact CD2-CD2 3.68Å; F87-Y100 HydrophobicContact CD2-CD2 3.68Å; F87-Y100 HydrophobicContact CD2-CG 4.08Å; F87-Y100 HydrophobicContact CE1-CG 4.45Å; F87-Y100 VanDerWaalsContact CE2-CB 3.45Å; F87-Y100 HydrophobicContact CE2-CD1 4.23Å; F87-Y100 AromaticContact CE2-CD2 3.24Å; F87-Y100 HydrophobicContact CE2-CD2 3.24Å; F87-Y100 AromaticContact CE2-CE2 3.99Å; F87-Y100 HydrophobicContact CE2-CE2 3.99Å; F87-Y100 AromaticContact CE2-CG 3.38Å; F87-Y100 HydrophobicContact CE2-CG 3.38Å; F87-Y100 HydrophobicContact CZ-CD1 4.24Å; F87-Y100 AromaticContact CZ-CD2 4Å; F87-Y100 HydrophobicContact CZ-CD2 4Å; F87-Y100 AromaticContact CZ-CG 3.62Å; F87-Y100 HydrophobicContact CZ-CG 3.62Å; F87-Y100 PolarHBondContact N-O 3.2Å; F87-Y100 VanDerWaalsContact N-O 3.14Å; F87-Y100 PolarHBondContact O-N 3.24Å; P89-Y100 HydrophobicContact CG-CE2 4.33Å; N98-Y100 HydrophobicContact CB-CE2 3.76Å
101L93.6Very high89.5Confident8 Ų841.7 Ų41.74%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-110.2129.4174.8-52.4176.1000108.1I49 K50 L52 V69 L72 L83 L86I49-L101 CarbonylContact C-O 3.58Å; I49-L101 WeakPolarHBondContact CA-O 3.31Å; K50-L101 HydrophobicContact CB-CB 4.38Å; K50-L101 PolarHBondContact N-O 3.4Å; K50-L101 PolarHBondContact O-N 3.31Å; L52-L101 HydrophobicContact CD1-CD1 4.29Å; L52-L101 HydrophobicContact CD2-CD1 3.91Å; L52-L101 HydrophobicContact CD2-CG 4.49Å; L52-L101 HydrophobicContact CG-CD1 4.32Å; L52-L101 HydrophobicContact CG-CG 4.45Å; V69-L101 HydrophobicContact CG2-CD2 3.97Å; L72-L101 HydrophobicContact CD1-CD1 3.72Å; L83-L101 HydrophobicContact CD1-CB 3.97Å; L83-L101 HydrophobicContact CD1-CD2 4.03Å; L86-L101 HydrophobicContact CD1-CD2 3.48Å; L86-L101 VanDerWaalsContact CD1-CD2 3.48Å
102V94.7Very high89.6Confident0 Ų037.9 Ų37.90%023%0.231CC..EExtended strand (participates in β ladder)trans-111.8131.6178-1700000108.4Y21 V47 A48 I49 L83 V84 D85 F87Y21-V102 HydrophobicContact CE1-CG1 4.18Å; Y21-V102 HydrophobicContact CE2-CG2 4.13Å; V47-V102 HydrophobicContact CB-CG1 3.65Å; V47-V102 HydrophobicContact CG1-CG1 4.02Å; V47-V102 HydrophobicContact CG2-CG1 3.87Å; A48-V102 WeakPolarHBondContact O-CA 3.3Å; I49-V102 HydrophobicContact CG1-CG1 4.36Å; I49-V102 HydrophobicContact CG1-CG2 4.25Å; I49-V102 HydrophobicContact CG2-CG2 4.43Å; L83-V102 CarbonylContact C-O 3.6Å; V84-V102 HydrophobicContact CB-CG1 4.41Å; V84-V102 PolarHBondContact N-O 2.96Å; D85-V102 HydrophobicContact CB-CB 3.79Å; D85-V102 HydrophobicContact CB-CG2 3.84Å; D85-V102 PolarHBondContact N-O 3.42Å; D85-V102 PolarHBondContact O-N 3.12Å; F87-V102 HydrophobicContact CD1-CG2 3.95Å; F87-V102 HydrophobicContact CE1-CG2 3.5Å; F87-V102 VanDerWaalsContact CE1-CG2 3.5Å
103S94.3Very high89.7Confident15 Ų1534.8 Ų34.811%0.10522%0.215CC..EExtended strand (participates in β ladder)trans-134.7166.1178.453.10000109V47 A48 D82 L105V47-S103 CarbonylContact C-O 3.57Å; V47-S103 WeakPolarHBondContact CA-O 3.31Å; V47-S103 WeakPolarHBondContact CB-O 3.44Å; A48-S103 PolarHBondContact N-O 3.46Å; A48-S103 PolarHBondContact O-N 3.26Å; A48-S103 PolarHBondContact O-OG 2.88Å; D82-S103 WeakPolarHBondContact O-CB 3.48Å; S103-L105 PolarHBondContact O-N 3.25Å
104S93.4Very high89.8Confident40 Ų4034.2 Ų34.228%0.2821%0.209SC..EExtended strand (participates in β ladder)trans-59.1137.2170.8-680000110.4D82 M106D82-S104 PolarHBondContact OD1-N 3Å; D82-S104 WeakPolarHBondContact OD2-CB 3.32Å; D82-S104 PolarHBondContact OD2-OG 2.83Å; S104-M106 PolarHBondContact O-N 3.02Å
105L91.8Very high90Very high59 Ų5934.9 Ų34.931%0.30921%0.21SC..  trans-72114.9177.2-17765.7000109.6K46 A48 S103K46-L105 HydrophobicContact CB-CB 3.93Å; K46-L105 HydrophobicContact CB-CD2 3.77Å; K46-L105 HydrophobicContact CD-CD2 4.1Å; K46-L105 HydrophobicContact CG-CD2 4.49Å; K46-L105 WeakPolarHBondContact O-CB 3.46Å; K46-L105 PolarHBondContact O-N 3.39Å; K46-L105 VanDerWaalsContact O-N 3.12Å; A48-L105 HydrophobicContact CB-CD1 3.92Å; S103-L105 PolarHBondContact O-N 3.25Å
106M89.6Confident90Very high37 Ų3740.2 Ų40.218%0.18223%0.229CC..  trans-84.8164173.8-61.9-60-67.400112S104 A154 R162S104-M106 PolarHBondContact O-N 3.02Å; M106-A154 HydrophobicContact CB-CB 3.45Å; M106-A154 VanDerWaalsContact CB-CB 3.45Å; M106-A154 HydrophobicContact CE-CB 4.02Å; M106-A154 HydrophobicContact CG-CB 3.66Å; M106-R162 HydrophobicContact CE-CB 3.79Å; M106-R162 HydrophobicContact CE-CG 3.59Å; M106-R162 HydrophobicContact SD-CB 4.19Å; M106-R162 VanDerWaalsContact SD-CD 3.52Å; M106-R162 HydrophobicContact SD-CG 3.86Å
107G85.2Confident89.8Confident58 Ų5845.3 Ų45.360%0.59825%0.253SS*.  trans-70.8-116.6175.800000113.4
108S89.5Confident89.7Confident43 Ų4349.1 Ų49.130%0.30127%0.268SS..EExtended strand (participates in β ladder)trans-94.7158.4179.3-176.70000110.9N112 A154 V155S108-N112 WeakPolarHBondContact OG-CB 3.43Å; S108-A154 CarbonylContact O-C 3.56Å; S108-A154 WeakPolarHBondContact O-CA 3.32Å; S108-V155 PolarHBondContact N-O 3.41Å; S108-V155 PolarHBondContact O-N 3.39Å
109D90Very high89.7Confident42 Ų4249.3 Ų49.323%0.22527%0.269CS..EExtended strand (participates in β ladder)trans-78.8154.1161.169.181.5000111.4G111 N112 I113 I153D109-G111 PolarHBondContact O-N 2.97Å; D109-G111 VanDerWaalsContact OD1-CA 3.26Å; D109-G111 WeakPolarHBondContact OD1-CA 3.26Å; D109-G111 PolarHBondContact OD1-N 3.36Å; D109-N112 PolarHBondContact O-N 2.91Å; D109-N112 VanDerWaalsContact O-N 3.12Å; D109-N112 PolarHBondContact OD1-N 3.49Å; D109-N112 PolarHBondContact OD2-ND2 3.15Å; D109-I113 PolarHBondContact O-N 2.93Å; D109-I153 CarbonylContact C-O 3.48Å; D109-I153 VanDerWaalsContact CA-O 3.27Å; D109-I153 WeakPolarHBondContact CA-O 3.25Å
110L90.9Very high89.7Confident0 Ų052.5 Ų52.50%029%0.289CS..Hα-helixtrans-62.4-29.7-178.7-170.759.9000112.2N112 I113 L114 L127 P150 I153 V155 I209 L213L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 3.41Å; L110-I113 PolarHBondContact O-N 2.83Å; L110-L114 HydrophobicContact CG-CD1 4.16Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 WeakPolarHBondContact O-CD1 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.93Å; L110-L127 HydrophobicContact CD1-CD1 4.04Å; L110-P150 HydrophobicContact CB-CB 4.16Å; L110-P150 WeakPolarHBondContact CB-O 3.4Å; L110-P150 HydrophobicContact CG-CB 4.42Å; L110-P150 PolarHBondContact N-O 3.04Å; L110-I153 HydrophobicContact CB-CB 4.06Å; L110-I153 HydrophobicContact CB-CG2 4.04Å; L110-I153 HydrophobicContact CD2-CB 4.26Å; L110-I153 HydrophobicContact CD2-CG2 3.94Å; L110-I153 PolarHBondContact N-O 3.39Å; L110-V155 HydrophobicContact CB-CG2 4.47Å; L110-V155 HydrophobicContact CD1-CG2 4.28Å; L110-I209 HydrophobicContact CD2-CG2 3.76Å; L110-L213 HydrophobicContact CD1-CD2 3.73Å; L110-L213 HydrophobicContact CD2-CD1 4.48Å; L110-L213 HydrophobicContact CD2-CD2 3.97Å; L110-L213 HydrophobicContact CG-CD2 4.01Å
111G86.6Confident89.8Confident14 Ų1455.3 Ų55.314%0.14430%0.303CS..Hα-helixtrans-65.1-30.9176.400000113.3D109 K115 P150D109-G111 PolarHBondContact O-N 2.97Å; D109-G111 VanDerWaalsContact OD1-CA 3.26Å; D109-G111 WeakPolarHBondContact OD1-CA 3.26Å; D109-G111 PolarHBondContact OD1-N 3.36Å; G111-K115 WeakPolarHBondContact O-CE 3.39Å; G111-K115 WeakPolarHBondContact O-CG 3.34Å; G111-P150 PolarHBondContact N-O 3.36Å
112N86.8Confident89.8Confident61 Ų6159.7 Ų59.733%0.32633%0.327SS..Hα-helixtrans-80.7-38172.6-67.3-27.8000112.1S108 D109 L110 L114 K115 I116S108-N112 WeakPolarHBondContact OG-CB 3.43Å; D109-N112 PolarHBondContact O-N 2.91Å; D109-N112 VanDerWaalsContact O-N 3.12Å; D109-N112 PolarHBondContact OD1-N 3.49Å; D109-N112 PolarHBondContact OD2-ND2 3.15Å; L110-N112 VanDerWaalsContact C-N 3.29Å; L110-N112 PolarHBondContact O-N 3.41Å; N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 PolarHBondContact O-N 3.33Å; N112-K115 PolarHBondContact O-N 3.41Å; N112-K115 VanDerWaalsContact O-N 3.13Å; N112-K115 PolarHBondContact OD1-NZ 3.5Å; N112-I116 WeakPolarHBondContact O-CD1 3.25Å; N112-I116 WeakPolarHBondContact O-CG1 3.42Å; N112-I116 PolarHBondContact O-N 3.02Å
113I87.7Confident89.8Confident23 Ų2363.6 Ų63.612%0.11835%0.345CS..Hα-helixtrans-58-46.4176.6-66.6172.8000110.6D109 L110 K115 I116 Q117 L119 V155D109-I113 PolarHBondContact O-N 2.93Å; L110-I113 PolarHBondContact O-N 2.83Å; I113-K115 PolarHBondContact O-N 3.2Å; I113-K115 VanDerWaalsContact O-N 3.15Å; I113-I116 PolarHBondContact O-N 2.75Å; I113-Q117 HydrophobicContact CG2-CG 4.13Å; I113-Q117 PolarHBondContact O-N 3.14Å; I113-Q117 VanDerWaalsContact O-N 3.09Å; I113-L119 HydrophobicContact CG2-CD1 4.5Å; I113-L119 HydrophobicContact CG2-CD2 4.27Å; I113-V155 HydrophobicContact CD1-CB 3.67Å; I113-V155 HydrophobicContact CD1-CG1 4.04Å; I113-V155 HydrophobicContact CD1-CG2 4.28Å
114L88.1Confident89.8Confident21 Ų2162.9 Ų62.911%0.1134%0.34CS..Hα-helixtrans-60.5-22.5178.7-79.8165.4000114.6L110 N112 P150 E212 L213L110-L114 HydrophobicContact CG-CD1 4.16Å; L110-L114 WeakPolarHBondContact O-CB 3.34Å; L110-L114 WeakPolarHBondContact O-CD1 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.28Å; L110-L114 PolarHBondContact O-N 2.93Å; N112-L114 VanDerWaalsContact C-N 3.31Å; N112-L114 PolarHBondContact O-N 3.33Å; L114-P150 HydrophobicContact CD1-CB 4.26Å; L114-P150 HydrophobicContact CD1-CG 4.31Å; L114-E212 HydrophobicContact CD1-CG 3.86Å; L114-L213 HydrophobicContact CD1-CD2 4.14Å; L114-L213 HydrophobicContact CD2-CD2 3.79Å; L114-L213 HydrophobicContact CG-CD2 4.12Å
115K87Confident90Very high163 Ų16362 Ų6271%0.70933%0.331SS*.Hα-helixtrans-83.5-24.5176.6-66.7168.4-166.9158.10112.9G111 N112 I113G111-K115 WeakPolarHBondContact O-CE 3.39Å; G111-K115 WeakPolarHBondContact O-CG 3.34Å; N112-K115 PolarHBondContact O-N 3.41Å; N112-K115 VanDerWaalsContact O-N 3.13Å; N112-K115 PolarHBondContact OD1-NZ 3.5Å; I113-K115 PolarHBondContact O-N 3.2Å; I113-K115 VanDerWaalsContact O-N 3.15Å
116I86Confident90.2Very high142 Ų14262 Ų6273%0.72833%0.329SS*.Hα-helixtrans-98.9-35.6-169.5-60.7165.4000110.7N112 I113N112-I116 WeakPolarHBondContact O-CD1 3.25Å; N112-I116 WeakPolarHBondContact O-CG1 3.42Å; N112-I116 PolarHBondContact O-N 3.02Å; I113-I116 PolarHBondContact O-N 2.75Å
117Q85.9Confident90.5Very high109 Ų10960.4 Ų60.451%0.50932%0.321SS..  trans-145.7151-175.662.4-177.6-7.100113.1I113 L119I113-Q117 HydrophobicContact CG2-CG 4.13Å; I113-Q117 PolarHBondContact O-N 3.14Å; I113-Q117 VanDerWaalsContact O-N 3.09Å; Q117-L119 HydrophobicContact CG-CD2 4.35Å
118Q85.9Confident91.2Very high167 Ų16757.6 Ų57.678%0.7829%0.293SS*.PPolyproline II helixtrans-84.1140.6163.9-69.3-169.3-36.500109.4
119L90.4Very high91.6Very high26 Ų2656.2 Ų56.214%0.13628%0.281CS..PPolyproline II helixtrans-96.5147.9-178.9-63.8171.8000110.3I113 Q117 H123 V124 L127 L213I113-L119 HydrophobicContact CG2-CD1 4.5Å; I113-L119 HydrophobicContact CG2-CD2 4.27Å; Q117-L119 HydrophobicContact CG-CD2 4.35Å; L119-H123 HydrophobicContact CB-CB 4.1Å; L119-H123 HydrophobicContact CD2-CB 4.25Å; L119-V124 HydrophobicContact CB-CG2 4.12Å; L119-L127 HydrophobicContact CD1-CD1 3.69Å; L119-L213 HydrophobicContact CD1-CD2 3.64Å
120T93Very high92Very high75 Ų7554.6 Ų54.646%0.4627%0.272SS..PPolyproline II helixtrans-75.3160.3172590000110.1D122 H123 V124T120-D122 PolarHBondContact O-N 3.37Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 VanDerWaalsContact O-N 3.09Å; T120-H123 VanDerWaalsContact OG1-CG 3.24Å; T120-H123 PolarHBondContact OG1-N 3.12Å; T120-H123 PolarHBondContact OG1-ND1 2.86Å; T120-H123 VanDerWaalsContact OG1-ND1 3.16Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 2.95Å
121D94.8Very high92.3Very high58 Ų5854.6 Ų54.631%0.3127%0.272SS..Hα-helixtrans-55.6-41.8177.5-157.360.6000111.1H123 V124 Q125 Y321D121-H123 PolarHBondContact O-N 3.16Å; D121-V124 CarbonylContact O-C 3.44Å; D121-V124 WeakPolarHBondContact O-CB 3.31Å; D121-V124 PolarHBondContact O-N 3.2Å; D121-V124 VanDerWaalsContact O-N 3.09Å; D121-Q125 WeakPolarHBondContact O-CG 3.43Å; D121-Q125 PolarHBondContact O-N 3.31Å; D121-Y321 PolarHBondContact OD1-OH 3.05Å
122D94.7Very high92.9Very high100 Ų10054 Ų5454%0.53527%0.265SS..Hα-helixtrans-58.5-44.2176.2-59.3-13000112.5T120 Q125 F126T120-D122 PolarHBondContact O-N 3.37Å; D122-Q125 PolarHBondContact O-N 2.89Å; D122-F126 PolarHBondContact O-N 3.32Å
123H93.8Very high93.4Very high82 Ų8251.5 Ų51.538%0.3825%0.252SS..Hα-helixtrans-64.5-41.3174.9-67.3156.3000111.2L119 T120 D121 F126 L127L119-H123 HydrophobicContact CB-CB 4.1Å; L119-H123 HydrophobicContact CD2-CB 4.25Å; T120-H123 PolarHBondContact O-N 3.05Å; T120-H123 VanDerWaalsContact O-N 3.09Å; T120-H123 VanDerWaalsContact OG1-CG 3.24Å; T120-H123 PolarHBondContact OG1-N 3.12Å; T120-H123 PolarHBondContact OG1-ND1 2.86Å; T120-H123 VanDerWaalsContact OG1-ND1 3.16Å; D121-H123 PolarHBondContact O-N 3.16Å; H123-F126 PolarHBondContact O-N 3.44Å; H123-L127 WeakPolarHBondContact O-CB 3.17Å; H123-L127 VanDerWaalsContact O-CG 3.25Å; H123-L127 WeakPolarHBondContact O-CG 3.4Å; H123-L127 PolarHBondContact O-N 3.35Å
124V95.4Very high93.9Very high1 Ų150.4 Ų50.41%0.00625%0.246CC..Hα-helixtrans-62.4-46176.7178.50000110.7L119 T120 D121 F126 L127 V128 M210 L213 I214L119-V124 HydrophobicContact CB-CG2 4.12Å; T120-V124 WeakPolarHBondContact O-CG2 3.42Å; T120-V124 PolarHBondContact O-N 2.95Å; D121-V124 CarbonylContact O-C 3.44Å; D121-V124 WeakPolarHBondContact O-CB 3.31Å; D121-V124 PolarHBondContact O-N 3.2Å; D121-V124 VanDerWaalsContact O-N 3.09Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.98Å; V124-L127 PolarHBondContact O-N 3.45Å; V124-V128 HydrophobicContact CG1-CG2 4.08Å; V124-V128 WeakPolarHBondContact O-CB 3.35Å; V124-V128 VanDerWaalsContact O-CG2 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.47Å; V124-V128 PolarHBondContact O-N 3.49Å; V124-M210 HydrophobicContact CG1-CG 4.44Å; V124-L213 HydrophobicContact CG1-CB 3.94Å; V124-L213 HydrophobicContact CG1-CD1 4.25Å; V124-L213 HydrophobicContact CG2-CB 3.89Å; V124-I214 HydrophobicContact CG1-CG1 3.98Å
125Q96.9Very high94.4Very high20 Ų2049.4 Ų49.49%0.09324%0.241CC..Hα-helixtrans-56.9-46.3176.8-74.3172.5-4500111D121 D122 V128 Y129 Y321 L322 F325D121-Q125 WeakPolarHBondContact O-CG 3.43Å; D121-Q125 PolarHBondContact O-N 3.31Å; D122-Q125 PolarHBondContact O-N 2.89Å; Q125-V128 PolarHBondContact O-N 3.47Å; Q125-Y129 VanDerWaalsContact O-CB 3.23Å; Q125-Y129 WeakPolarHBondContact O-CB 3.18Å; Q125-Y129 PolarHBondContact O-N 2.94Å; Q125-Y321 HydrophobicContact CB-CE1 4.48Å; Q125-Y321 HydrophobicContact CG-CD1 4.2Å; Q125-Y321 HydrophobicContact CG-CD2 4.12Å; Q125-Y321 HydrophobicContact CG-CE1 3.63Å; Q125-Y321 HydrophobicContact CG-CE2 3.52Å; Q125-Y321 HydrophobicContact CG-CG 4.45Å; Q125-Y321 PolarHBondContact NE2-O 2.82Å; Q125-L322 HydrophobicContact CB-CD2 4.41Å; Q125-L322 WeakPolarHBondContact O-CD2 3.44Å; Q125-F325 HydrophobicContact CB-CD2 4.3Å; Q125-F325 HydrophobicContact CB-CE2 3.8Å
126F96.3Very high94.9Very high60 Ų6043 Ų4326%0.26321%0.213SC..Hα-helixtrans-67.5-42.3-177.3-172.2-129.5000112.4D122 H123 V124 Q130 C159 F325D122-F126 PolarHBondContact O-N 3.32Å; H123-F126 PolarHBondContact O-N 3.44Å; V124-F126 VanDerWaalsContact C-N 3.31Å; V124-F126 PolarHBondContact O-N 2.98Å; F126-Q130 VanDerWaalsContact CD1-NE2 3.32Å; F126-Q130 HydrophobicContact CE2-CG 4.28Å; F126-Q130 HydrophobicContact CZ-CG 4.42Å; F126-Q130 WeakPolarHBondContact O-CG 3.49Å; F126-Q130 PolarHBondContact O-N 3.23Å; F126-Q130 PolarHBondContact O-NE2 3.09Å; F126-C159 HydrophobicContact CD1-CB 3.87Å; F126-C159 HydrophobicContact CE1-CB 3.99Å; F126-F325 VanDerWaalsContact CA-CE2 3.42Å; F126-F325 HydrophobicContact CB-CD2 4.41Å; F126-F325 HydrophobicContact CB-CE2 3.61Å; F126-F325 HydrophobicContact CB-CZ 3.71Å; F126-F325 HydrophobicContact CD2-CD1 4.03Å; F126-F325 HydrophobicContact CD2-CD2 4.27Å; F126-F325 AromaticContact CD2-CE1 3.82Å; F126-F325 HydrophobicContact CD2-CE1 3.82Å; F126-F325 HydrophobicContact CD2-CE2 4.04Å; F126-F325 HydrophobicContact CD2-CG 4.26Å; F126-F325 AromaticContact CD2-CZ 3.83Å; F126-F325 HydrophobicContact CD2-CZ 3.83Å; F126-F325 HydrophobicContact CG-CE1 4.48Å; F126-F325 HydrophobicContact CG-CE2 4.29Å; F126-F325 HydrophobicContact CG-CZ 4.1Å
127L96.7Very high95.5Very high3 Ų337.1 Ų37.12%0.01618%0.182CC..Hα-helixtrans-66-44.9176.6-68.4170.5000111.7L110 L119 H123 V124 Q130 I131 V155 C159 L161 L213L110-L127 HydrophobicContact CD1-CD1 4.04Å; L119-L127 HydrophobicContact CD1-CD1 3.69Å; H123-L127 WeakPolarHBondContact O-CB 3.17Å; H123-L127 VanDerWaalsContact O-CG 3.25Å; H123-L127 WeakPolarHBondContact O-CG 3.4Å; H123-L127 PolarHBondContact O-N 3.35Å; V124-L127 PolarHBondContact O-N 3.45Å; L127-Q130 PolarHBondContact O-N 3.04Å; L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.99Å; L127-V155 HydrophobicContact CD2-CG1 3.94Å; L127-V155 HydrophobicContact CD2-CG2 4Å; L127-C159 HydrophobicContact CD2-CB 4.46Å; L127-L161 HydrophobicContact CB-CD1 4.48Å; L127-L161 HydrophobicContact CD2-CD1 3.95Å; L127-L213 HydrophobicContact CB-CD1 4.34Å; L127-L213 HydrophobicContact CD1-CD2 4.32Å
128V97.9Very high96Very high0 Ų032 Ų320%016%0.157CC..Hα-helixtrans-64.7-41.2178.61720000111V124 Q125 I131 L132 V206 M210 L213 M302 L322V124-V128 HydrophobicContact CG1-CG2 4.08Å; V124-V128 WeakPolarHBondContact O-CB 3.35Å; V124-V128 VanDerWaalsContact O-CG2 3.23Å; V124-V128 WeakPolarHBondContact O-CG2 3.47Å; V124-V128 PolarHBondContact O-N 3.49Å; Q125-V128 PolarHBondContact O-N 3.47Å; V128-I131 PolarHBondContact O-N 3.05Å; V128-L132 HydrophobicContact CG1-CD1 3.81Å; V128-L132 HydrophobicContact CG1-CG 4.4Å; V128-L132 WeakPolarHBondContact O-CB 3.44Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.17Å; V128-V206 HydrophobicContact CG1-CG1 4.38Å; V128-M210 HydrophobicContact CG1-SD 4.22Å; V128-M210 HydrophobicContact CG2-CB 3.85Å; V128-M210 HydrophobicContact CG2-CG 3.84Å; V128-M210 HydrophobicContact CG2-SD 4.22Å; V128-L213 HydrophobicContact CG2-CD1 4.12Å; V128-M302 HydrophobicContact CG1-CE 4.38Å; V128-L322 HydrophobicContact CB-CD2 4.43Å; V128-L322 HydrophobicContact CG1-CD1 4.32Å; V128-L322 HydrophobicContact CG1-CD2 4.27Å
129Y98.2Very high96.5Very high14 Ų1425.1 Ų25.16%0.05513%0.126CC..Hα-helixtrans-55.3-52.8173167.6-99000111.4Q125 I131 L132 R133 L317 F325 E331Q125-Y129 VanDerWaalsContact O-CB 3.23Å; Q125-Y129 WeakPolarHBondContact O-CB 3.18Å; Q125-Y129 PolarHBondContact O-N 2.94Å; Y129-I131 VanDerWaalsContact C-N 3.34Å; Y129-I131 PolarHBondContact O-N 2.96Å; Y129-L132 PolarHBondContact O-N 3.16Å; Y129-L132 VanDerWaalsContact O-N 3.17Å; Y129-R133 WeakPolarHBondContact O-CB 3.29Å; Y129-R133 PolarHBondContact O-N 3.09Å; Y129-L317 HydrophobicContact CD2-CD2 3.59Å; Y129-L317 HydrophobicContact CE2-CD2 3.8Å; Y129-L317 HydrophobicContact CG-CD2 4.49Å; Y129-F325 HydrophobicContact CD1-CB 3.85Å; Y129-F325 HydrophobicContact CD1-CG 4.45Å; Y129-F325 HydrophobicContact CD2-CB 3.7Å; Y129-F325 HydrophobicContact CE1-CB 4.13Å; Y129-F325 HydrophobicContact CE2-CB 3.97Å; Y129-F325 WeakPolarHBondContact CE2-O 3.43Å; Y129-F325 HydrophobicContact CG-CB 3.64Å; Y129-F325 HydrophobicContact CG-CD2 4.49Å; Y129-F325 HydrophobicContact CG-CG 4.37Å; Y129-F325 VanDerWaalsContact CZ-O 3.24Å; Y129-F325 PolarHBondContact OH-O 3.46Å; Y129-E331 HydrophobicContact CE2-CG 4.45Å; Y129-E331 WeakPolarHBondContact CE2-OE1 3.33Å
130Q98.1Very high96.7Very high8 Ų825.6 Ų25.64%0.03713%0.131CC..Hα-helixtrans-62.2-38.3-179.5-73.8179.284.600113.2N79 F126 L127 R133 G134 C159 L161N79-Q130 WeakPolarHBondContact CB-O 3.48Å; N79-Q130 WeakPolarHBondContact ND2-CB 3.29Å; N79-Q130 PolarHBondContact ND2-OE1 3.29Å; F126-Q130 VanDerWaalsContact CD1-NE2 3.32Å; F126-Q130 HydrophobicContact CE2-CG 4.28Å; F126-Q130 HydrophobicContact CZ-CG 4.42Å; F126-Q130 WeakPolarHBondContact O-CG 3.49Å; F126-Q130 PolarHBondContact O-N 3.23Å; F126-Q130 PolarHBondContact O-NE2 3.09Å; L127-Q130 PolarHBondContact O-N 3.04Å; Q130-R133 PolarHBondContact O-N 3.19Å; Q130-G134 PolarHBondContact O-N 2.96Å; Q130-C159 PolarHBondContact NE2-O 3.12Å; Q130-L161 HydrophobicContact CB-CB 3.95Å; Q130-L161 HydrophobicContact CB-CD2 4.29Å
131I98.1Very high96.8Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-63.7-45.9175.4-62.4162.4000110.3L127 V128 Y129 G134 L135 L148 I153 L161 I163 V206 I209L127-I131 VanDerWaalsContact O-CG1 3.24Å; L127-I131 WeakPolarHBondContact O-CG1 3.46Å; L127-I131 PolarHBondContact O-N 2.99Å; V128-I131 PolarHBondContact O-N 3.05Å; Y129-I131 VanDerWaalsContact C-N 3.34Å; Y129-I131 PolarHBondContact O-N 2.96Å; I131-G134 PolarHBondContact O-N 2.96Å; I131-L135 HydrophobicContact CG2-CD1 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.45Å; I131-L135 WeakPolarHBondContact O-CG 3.33Å; I131-L135 PolarHBondContact O-N 2.95Å; I131-L148 HydrophobicContact CG2-CD1 4.38Å; I131-I153 HydrophobicContact CG1-CD1 4.33Å; I131-L161 HydrophobicContact CD1-CD1 3.95Å; I131-L161 HydrophobicContact CG1-CD1 3.45Å; I131-L161 VanDerWaalsContact CG1-CD1 3.45Å; I131-L161 HydrophobicContact CG1-CD2 3.81Å; I131-L161 HydrophobicContact CG1-CG 4.31Å; I131-I163 HydrophobicContact CG2-CD1 4.45Å; I131-V206 HydrophobicContact CG2-CG1 4.32Å; I131-V206 HydrophobicContact CG2-CG2 3.52Å; I131-I209 HydrophobicContact CD1-CG2 4.26Å
132L98.6Very high96.7Very high0 Ų020.4 Ų20.40%011%0.106CC..Hα-helixtrans-68.4-36.3-179.9-70168.7000112.2V128 Y129 L135 K136 V206 M302 A313 A316 L317 L322V128-L132 HydrophobicContact CG1-CD1 3.81Å; V128-L132 HydrophobicContact CG1-CG 4.4Å; V128-L132 WeakPolarHBondContact O-CB 3.44Å; V128-L132 WeakPolarHBondContact O-CG 3.31Å; V128-L132 PolarHBondContact O-N 3.17Å; Y129-L132 PolarHBondContact O-N 3.16Å; Y129-L132 VanDerWaalsContact O-N 3.17Å; L132-L135 PolarHBondContact O-N 3.03Å; L132-K136 WeakPolarHBondContact O-CB 3.46Å; L132-K136 PolarHBondContact O-N 3.01Å; L132-V206 HydrophobicContact CD2-CG1 4.19Å; L132-V206 HydrophobicContact CG-CG1 4.35Å; L132-M302 HydrophobicContact CD1-CE 3.8Å; L132-M302 HydrophobicContact CD2-CE 4.1Å; L132-M302 HydrophobicContact CG-CE 4.42Å; L132-A313 HydrophobicContact CD2-CB 4.38Å; L132-A316 HydrophobicContact CD1-CB 3.73Å; L132-A316 HydrophobicContact CD2-CB 3.98Å; L132-A316 HydrophobicContact CG-CB 4.47Å; L132-L317 HydrophobicContact CB-CD1 4.49Å; L132-L317 HydrophobicContact CB-CD2 3.73Å; L132-L317 HydrophobicContact CB-CG 3.86Å; L132-L322 HydrophobicContact CD1-CD1 3.48Å; L132-L322 VanDerWaalsContact CD1-CD1 3.48Å
133R98.2Very high96.6Very high10 Ų1015.7 Ų15.74%0.0388%0.081CC..Hα-helixtrans-60.4-51173.8-174.2-177.7172.4-109.96.7110.6H77 E78 N79 Y129 Q130 L135 K136 Y137 L317 D330 E331H77-R133 PolarHBondContact CE1-NH1 3.18Å; H77-R133 VanDerWaalsContact CE1-NH1 3.29Å; E78-R133 IonicContact OE2-CZ 2.83Å; E78-R133 IonicContact OE2-NH1 3.28Å; E78-R133 PolarHBondContact OE2-NH1 3.38Å; E78-R133 IonicContact OE2-NH2 3.96Å; E78-R133 PolarHBondContact OE2-NH2 3.45Å; N79-R133 WeakPolarHBondContact OD1-CD 3.35Å; N79-R133 PolarHBondContact OD1-NH1 3.05Å; Y129-R133 WeakPolarHBondContact O-CB 3.29Å; Y129-R133 PolarHBondContact O-N 3.09Å; Q130-R133 PolarHBondContact O-N 3.19Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 3.08Å; R133-K136 PolarHBondContact O-N 3Å; R133-Y137 PolarHBondContact O-N 3.32Å; R133-L317 HydrophobicContact CB-CD2 4.34Å; R133-D330 VanDerWaalsContact CZ-O 3.27Å; R133-D330 IonicContact CZ-OD1 3.51Å; R133-D330 IonicContact CZ-OD2 3.03Å; R133-D330 PolarHBondContact NE-O 3.4Å; R133-D330 IonicContact NE-OD2 3.79Å; R133-D330 PolarHBondContact NH2-O 3.09Å; R133-D330 VanDerWaalsContact NH2-O 3.1Å; R133-D330 IonicContact NH2-OD1 3.54Å; R133-D330 PolarHBondContact NH2-OD1 2.92Å; R133-D330 IonicContact NH2-OD2 2.61Å; R133-D330 PolarHBondContact NH2-OD2 2.76Å; R133-E331 HydrophobicContact CG-CG 4.29Å
134G97.9Very high96.5Very high0 Ų011.9 Ų11.90%06%0.063CC..Hα-helixtrans-59.8-40173.400000113Q130 I131 Y137 I138Q130-G134 PolarHBondContact O-N 2.96Å; I131-G134 PolarHBondContact O-N 2.96Å; G134-Y137 WeakPolarHBondContact O-CB 3.41Å; G134-Y137 PolarHBondContact O-N 3.24Å; G134-I138 WeakPolarHBondContact O-CD1 3.23Å; G134-I138 VanDerWaalsContact O-CG1 3.24Å; G134-I138 WeakPolarHBondContact O-CG1 3.43Å; G134-I138 PolarHBondContact O-N 2.74Å
135L97.9Very high96.3Very high0 Ų011.8 Ų11.80%06%0.063CC..Hα-helixtrans-67.7-39.3176.3-80.9-176.3000113.4I131 L132 R133 Y137 I138 H139 L148 I163 D202 V206 A313I131-L135 HydrophobicContact CG2-CD1 4.38Å; I131-L135 WeakPolarHBondContact O-CB 3.45Å; I131-L135 WeakPolarHBondContact O-CG 3.33Å; I131-L135 PolarHBondContact O-N 2.95Å; L132-L135 PolarHBondContact O-N 3.03Å; R133-L135 VanDerWaalsContact C-N 3.33Å; R133-L135 PolarHBondContact O-N 3.08Å; L135-Y137 VanDerWaalsContact C-N 3.26Å; L135-Y137 PolarHBondContact O-N 3.33Å; L135-I138 HydrophobicContact CD2-CD1 4.38Å; L135-I138 PolarHBondContact O-N 3.3Å; L135-H139 WeakPolarHBondContact O-CB 3.25Å; L135-H139 PolarHBondContact O-CD2 3.43Å; L135-H139 PolarHBondContact O-N 3.4Å; L135-L148 HydrophobicContact CD1-CD1 3.7Å; L135-L148 HydrophobicContact CD2-CD1 3.86Å; L135-L148 HydrophobicContact CG-CD1 4.06Å; L135-I163 HydrophobicContact CD2-CD1 4.27Å; L135-I163 HydrophobicContact CG-CD1 4.14Å; L135-D202 HydrophobicContact CD1-CB 3.83Å; L135-D202 HydrophobicContact CD2-CB 3.84Å; L135-V206 HydrophobicContact CD1-CG2 3.48Å; L135-V206 VanDerWaalsContact CD1-CG2 3.48Å; L135-A313 HydrophobicContact CB-CB 4.08Å
136K97.9Very high95.9Very high27 Ų2712.5 Ų12.512%0.1176%0.064CC..Hα-helixtrans-55.5-47.3173.9175.3-176.7179.6-173.40109.9L132 R133 H139 S140 A313 L317 E331L132-K136 WeakPolarHBondContact O-CB 3.46Å; L132-K136 PolarHBondContact O-N 3.01Å; R133-K136 PolarHBondContact O-N 3Å; K136-H139 PolarHBondContact O-N 3.09Å; K136-S140 WeakPolarHBondContact O-CB 3.38Å; K136-S140 PolarHBondContact O-N 3.24Å; K136-S140 PolarHBondContact O-OG 2.99Å; K136-S140 VanDerWaalsContact O-OG 3.06Å; K136-A313 HydrophobicContact CB-CB 4.32Å; K136-L317 HydrophobicContact CB-CD1 3.96Å; K136-L317 HydrophobicContact CD-CD1 3.65Å; K136-L317 HydrophobicContact CG-CD1 4.42Å; K136-E331 HydrophobicContact CD-CB 4.14Å; K136-E331 WeakPolarHBondContact CE-O 3.38Å; K136-E331 PolarHBondContact NZ-O 3.41Å; K136-E331 IonicContact NZ-OE2 2.76Å; K136-E331 PolarHBondContact NZ-OE2 3.06Å
137Y98Very high95.5Very high20 Ų2010 Ų108%0.0785%0.054CC..Hα-helixtrans-60-52.5175.9-171.9-89000111.8M75 D76 H77 V80 R133 G134 L135 H139 S140 A141 P332 C334M75-Y137 HydrophobicContact CE-CE1 4.49Å; M75-Y137 HydrophobicContact SD-CD1 4.16Å; M75-Y137 HydrophobicContact SD-CE1 4Å; D76-Y137 PolarHBondContact N-OH 3.17Å; D76-Y137 VanDerWaalsContact N-OH 3.13Å; D76-Y137 PolarHBondContact O-OH 3.33Å; H77-Y137 HydrophobicContact CB-CD1 3.78Å; H77-Y137 HydrophobicContact CB-CD2 4.09Å; H77-Y137 HydrophobicContact CB-CE1 3.91Å; H77-Y137 HydrophobicContact CB-CE2 4.18Å; H77-Y137 HydrophobicContact CB-CG 3.87Å; H77-Y137 AromaticContact CD2-CD2 3.55Å; H77-Y137 AromaticContact CD2-CG 3.66Å; H77-Y137 AromaticContact CG-CG 3.87Å; V80-Y137 HydrophobicContact CG2-CD1 4.49Å; R133-Y137 PolarHBondContact O-N 3.32Å; G134-Y137 WeakPolarHBondContact O-CB 3.41Å; G134-Y137 PolarHBondContact O-N 3.24Å; L135-Y137 VanDerWaalsContact C-N 3.26Å; L135-Y137 PolarHBondContact O-N 3.33Å; Y137-H139 PolarHBondContact O-N 3.3Å; Y137-S140 PolarHBondContact O-N 3.38Å; Y137-S140 PolarHBondContact O-OG 3.39Å; Y137-A141 PolarHBondContact O-N 2.93Å; Y137-P332 HydrophobicContact CD2-CG 4.28Å; Y137-C334 HydrophobicContact CD1-CB 3.88Å; Y137-C334 HydrophobicContact CD2-CB 3.86Å; Y137-C334 HydrophobicContact CE1-CB 3.58Å; Y137-C334 HydrophobicContact CE2-CB 3.6Å; Y137-C334 HydrophobicContact CG-CB 4.01Å; Y137-C334 VanDerWaalsContact CZ-CB 3.45Å; Y137-C334 VanDerWaalsContact CZ-SG 3.54Å; Y137-C334 WeakPolarHBondContact O-CB 3.44Å; Y137-C334 PolarHBondContact OH-SG 2.88Å
138I96.7Very high95.2Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-58.6-45.2178.6-68.1163.8000111.8M75 V80 G134 L135 A141 I143 I163 F166M75-I138 HydrophobicContact SD-CG1 4.11Å; V80-I138 HydrophobicContact CG1-CD1 4.46Å; V80-I138 HydrophobicContact CG2-CD1 3.9Å; V80-I138 HydrophobicContact CG2-CG1 3.93Å; G134-I138 WeakPolarHBondContact O-CD1 3.23Å; G134-I138 VanDerWaalsContact O-CG1 3.24Å; G134-I138 WeakPolarHBondContact O-CG1 3.43Å; G134-I138 PolarHBondContact O-N 2.74Å; L135-I138 HydrophobicContact CD2-CD1 4.38Å; L135-I138 PolarHBondContact O-N 3.3Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.35Å; I138-I143 HydrophobicContact CG2-CB 3.74Å; I138-I143 HydrophobicContact CG2-CG2 3.87Å; I138-I143 WeakPolarHBondContact O-CB 3.3Å; I138-I143 PolarHBondContact O-N 2.89Å; I138-I163 HydrophobicContact CD1-CB 4.47Å; I138-I163 HydrophobicContact CD1-CD1 3.88Å; I138-I163 HydrophobicContact CD1-CG2 4.21Å; I138-F166 HydrophobicContact CD1-CE1 3.75Å; I138-F166 HydrophobicContact CD1-CZ 3.72Å; I138-F166 HydrophobicContact CG1-CE1 3.97Å; I138-F166 HydrophobicContact CG1-CZ 3.98Å; I138-F166 HydrophobicContact CG2-CE1 4.1Å
139H96.3Very high94.9Very high24 Ų2410.9 Ų10.911%0.1116%0.058CC..Hα-helixtrans-68.3-37.3-177.9-67.6176.9000111.7L135 K136 Y137 A141 G142 I143 H199 D202L135-H139 WeakPolarHBondContact O-CB 3.25Å; L135-H139 PolarHBondContact O-CD2 3.43Å; L135-H139 PolarHBondContact O-N 3.4Å; K136-H139 PolarHBondContact O-N 3.09Å; Y137-H139 PolarHBondContact O-N 3.3Å; H139-A141 VanDerWaalsContact C-N 3.26Å; H139-A141 PolarHBondContact O-N 3.09Å; H139-G142 WeakPolarHBondContact O-CA 3.27Å; H139-G142 PolarHBondContact O-N 2.82Å; H139-I143 PolarHBondContact CD2-O 2.98Å; H139-I143 VanDerWaalsContact CD2-O 3.3Å; H139-H199 HydrophobicContact CB-CB 4.24Å; H139-H199 AromaticContact CE1-CD2 3.98Å; H139-H199 PolarHBondContact CE1-O 3.01Å; H139-H199 AromaticContact ND1-CD2 3.41Å; H139-H199 PolarHBondContact ND1-CD2 3.36Å; H139-H199 AromaticContact ND1-CG 3.82Å; H139-H199 PolarHBondContact NE2-O 3.42Å; H139-D202 IonicContact CD2-OD2 3.96Å; H139-D202 IonicContact CE1-OD2 2.65Å; H139-D202 IonicContact NE2-OD2 3.49Å; H139-D202 PolarHBondContact NE2-OD2 2.88Å
140S96.1Very high94.6Very high36 Ų3610.4 Ų10.425%0.2526%0.056SC..Hα-helixtrans-65.5-29.1174.2630000113.1K136 Y137 G142 V333 C334K136-S140 WeakPolarHBondContact O-CB 3.38Å; K136-S140 PolarHBondContact O-N 3.24Å; K136-S140 PolarHBondContact O-OG 2.99Å; K136-S140 VanDerWaalsContact O-OG 3.06Å; Y137-S140 PolarHBondContact O-N 3.38Å; Y137-S140 PolarHBondContact O-OG 3.39Å; S140-G142 PolarHBondContact O-N 3.35Å; S140-G142 VanDerWaalsContact O-N 3.15Å; S140-V333 WeakPolarHBondContact OG-CA 3.43Å; S140-C334 CarbonylContact C-O 3.43Å; S140-C334 VanDerWaalsContact C-O 3.26Å; S140-C334 PolarHBondContact OG-N 3.41Å; S140-C334 PolarHBondContact OG-O 2.8Å
141A95Very high94.2Very high0 Ų012.8 Ų12.80%07%0.074CC..THydrogen-bonded Turntrans-70.8-0.5169.400000113.7M75 Y137 I138 H139 I143 C334 P336 I337M75-A141 HydrophobicContact CE-CB 3.93Å; Y137-A141 PolarHBondContact O-N 2.93Å; I138-A141 WeakPolarHBondContact O-CB 3.35Å; I138-A141 PolarHBondContact O-N 3.35Å; H139-A141 VanDerWaalsContact C-N 3.26Å; H139-A141 PolarHBondContact O-N 3.09Å; A141-I143 VanDerWaalsContact C-N 3.34Å; A141-I143 HydrophobicContact CB-CD1 4.03Å; A141-I143 HydrophobicContact CB-CG1 3.93Å; A141-C334 HydrophobicContact CB-CB 3.88Å; A141-P336 WeakPolarHBondContact O-CA 3.38Å; A141-I337 WeakPolarHBondContact O-CG2 3.08Å; A141-I337 PolarHBondContact O-N 3Å
142G92.4Very high93.9Very high24 Ų2413.4 Ų13.425%0.2478%0.077CC..THydrogen-bonded Turntrans77.119-176.800000113.9H139 S140 A172H139-G142 WeakPolarHBondContact O-CA 3.27Å; H139-G142 PolarHBondContact O-N 2.82Å; S140-G142 PolarHBondContact O-N 3.35Å; S140-G142 VanDerWaalsContact O-N 3.15Å; G142-A172 PolarHBondContact O-N 3.45Å
143I92.4Very high93.6Very high1 Ų113.4 Ų13.41%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-104139.2-176.3-50.7-175.2000109.6V71 M75 I138 H139 A141 A169 I337 F339V71-I143 HydrophobicContact CB-CD1 4.4Å; V71-I143 HydrophobicContact CG1-CD1 3.7Å; V71-I143 HydrophobicContact CG2-CD1 4.02Å; M75-I143 HydrophobicContact CE-CD1 3.49Å; M75-I143 VanDerWaalsContact CE-CD1 3.49Å; M75-I143 HydrophobicContact SD-CD1 4.37Å; I138-I143 HydrophobicContact CG2-CB 3.74Å; I138-I143 HydrophobicContact CG2-CG2 3.87Å; I138-I143 WeakPolarHBondContact O-CB 3.3Å; I138-I143 PolarHBondContact O-N 2.89Å; H139-I143 PolarHBondContact CD2-O 2.98Å; H139-I143 VanDerWaalsContact CD2-O 3.3Å; A141-I143 VanDerWaalsContact C-N 3.34Å; A141-I143 HydrophobicContact CB-CD1 4.03Å; A141-I143 HydrophobicContact CB-CG1 3.93Å; I143-A169 HydrophobicContact CG2-CB 3.82Å; I143-I337 HydrophobicContact CD1-CG2 4.01Å; I143-I337 HydrophobicContact CG1-CG2 3.91Å; I143-F339 HydrophobicContact CD1-CZ 4.4Å; I143-F339 HydrophobicContact CG1-CE2 3.94Å; I143-F339 HydrophobicContact CG1-CZ 3.83Å
144I91.6Very high93.4Very high1 Ų113.1 Ų13.11%0.0058%0.077CC..EExtended strand (participates in β ladder)trans-111.9129.3165.5-50.6-177.7000108.3R146 A169 R170 A172 Y197 H199 V201 D202I144-R146 HydrophobicContact CB-CG 3.98Å; I144-R146 HydrophobicContact CG2-CG 3.4Å; I144-A169 WeakPolarHBondContact O-CA 3.25Å; I144-R170 PolarHBondContact N-O 3.2Å; I144-R170 PolarHBondContact O-N 2.76Å; I144-R170 VanDerWaalsContact O-N 3.16Å; I144-A172 HydrophobicContact CD1-CB 3.87Å; I144-A172 HydrophobicContact CG1-CB 4.06Å; I144-Y197 HydrophobicContact CD1-CD2 4.21Å; I144-Y197 HydrophobicContact CD1-CE2 4.07Å; I144-H199 HydrophobicContact CD1-CB 4.47Å; I144-H199 HydrophobicContact CG1-CB 4.14Å; I144-V201 HydrophobicContact CG2-CG2 3.33Å; I144-D202 WeakPolarHBondContact CG2-OD2 3.44Å
145H90.9Very high93.1Very high0 Ų013.3 Ų13.30%08%0.078CC..  trans-72-49.1-176.5-173.2-82.7000112.4D147 L148 L164 D165 F166 D202H145-D147 PolarHBondContact CE1-O 2.77Å; H145-D147 PolarHBondContact ND1-N 2.91Å; H145-D147 PolarHBondContact O-N 3.26Å; H145-L148 HydrophobicContact CB-CG 4.36Å; H145-L148 PolarHBondContact ND1-N 3Å; H145-L164 PolarHBondContact NE2-O 3.4Å; H145-D165 PolarHBondContact NE2-O 3.38Å; H145-F166 AromaticContact CD2-CD1 3.94Å; H145-F166 AromaticContact CD2-CE1 3.93Å; H145-D202 PolarHBondContact N-OD2 3.46Å
146R88.5Confident92.6Very high34 Ų3415.2 Ų15.213%0.1289%0.088CC..  trans65.5-9.3175.2-53.1-172.3-55.6169.38118.1I144 L168 Y197 V201 D202I144-R146 HydrophobicContact CB-CG 3.98Å; I144-R146 HydrophobicContact CG2-CG 3.4Å; R146-L168 VanDerWaalsContact CZ-O 3.31Å; R146-L168 PolarHBondContact NE-O 3.05Å; R146-L168 PolarHBondContact NH2-O 3.11Å; R146-Y197 PolarHBondContact NH1-OH 2.86Å; R146-V201 HydrophobicContact CG-CG2 4.34Å; R146-D202 WeakPolarHBondContact CA-OD1 3.49Å; R146-D202 PolarHBondContact N-OD1 3.28Å
147D87Confident91.8Very high7 Ų723.2 Ų23.24%0.03713%0.126CC..  trans-127.939.3176.2-163.332.9000111.8H145 K149 N152 L168H145-D147 PolarHBondContact CE1-O 2.77Å; H145-D147 PolarHBondContact ND1-N 2.91Å; H145-D147 PolarHBondContact O-N 3.26Å; D147-K149 PolarHBondContact O-N 3.08Å; D147-K149 IonicContact OD1-NZ 3.9Å; D147-K149 PolarHBondContact OD1-NZ 3.35Å; D147-K149 IonicContact OD2-NZ 2.93Å; D147-K149 PolarHBondContact OD2-NZ 3.27Å; D147-N152 PolarHBondContact O-ND2 3.01Å; D147-N152 PolarHBondContact OD2-ND2 3.29Å; D147-L168 HydrophobicContact CB-CB 4.2Å; D147-L168 HydrophobicContact CB-CD1 3.75Å; D147-L168 HydrophobicContact CB-CG 4.47Å
148L92.3Very high91.2Very high2 Ų228.1 Ų28.11%0.0115%0.154CC..  trans-69.4127.5171.7-84.6-171.4000110.2I131 L135 H145 I153 I163 Y185 D202 V206 I209I131-L148 HydrophobicContact CG2-CD1 4.38Å; L135-L148 HydrophobicContact CD1-CD1 3.7Å; L135-L148 HydrophobicContact CD2-CD1 3.86Å; L135-L148 HydrophobicContact CG-CD1 4.06Å; H145-L148 HydrophobicContact CB-CG 4.36Å; H145-L148 PolarHBondContact ND1-N 3Å; L148-I153 HydrophobicContact CD2-CD1 3.75Å; L148-I163 HydrophobicContact CD2-CG2 3.82Å; L148-Y185 VanDerWaalsContact O-CB 3.25Å; L148-Y185 WeakPolarHBondContact O-CB 3.5Å; L148-D202 HydrophobicContact CD1-CB 4.15Å; L148-V206 HydrophobicContact CD1-CG2 3.86Å; L148-I209 HydrophobicContact CB-CD1 4.41Å
149K91.3Very high90.7Very high20 Ų2029.4 Ų29.49%0.08716%0.163CC..  trans-162.5160.3177.359.9-169176.4-138.40108.4D147 S151 N152 Y185D147-K149 PolarHBondContact O-N 3.08Å; D147-K149 IonicContact OD1-NZ 3.9Å; D147-K149 PolarHBondContact OD1-NZ 3.35Å; D147-K149 IonicContact OD2-NZ 2.93Å; D147-K149 PolarHBondContact OD2-NZ 3.27Å; K149-S151 VanDerWaalsContact CE-OG 3.25Å; K149-S151 WeakPolarHBondContact CE-OG 3.4Å; K149-S151 WeakPolarHBondContact CG-OG 3.49Å; K149-S151 PolarHBondContact O-N 3.44Å; K149-S151 VanDerWaalsContact O-N 3.08Å; K149-N152 WeakPolarHBondContact CE-ND2 3.41Å; K149-N152 WeakPolarHBondContact CE-OD1 3.34Å; K149-N152 HydrophobicContact CG-CB 4.12Å; K149-N152 PolarHBondContact O-N 2.89Å; K149-Y185 HydrophobicContact CB-CD2 3.37Å; K149-Y185 HydrophobicContact CB-CE2 3.65Å; K149-Y185 HydrophobicContact CB-CG 3.93Å
150P92.1Very high90.4Very high4 Ų433.6 Ų33.63%0.02618%0.182CC..G310 helixtrans-54.8-32.8-176.6-28.936.5000114.5L110 G111 L114 N152 I153 Y185 I209L110-P150 HydrophobicContact CB-CB 4.16Å; L110-P150 WeakPolarHBondContact CB-O 3.4Å; L110-P150 HydrophobicContact CG-CB 4.42Å; L110-P150 PolarHBondContact N-O 3.04Å; G111-P150 PolarHBondContact N-O 3.36Å; L114-P150 HydrophobicContact CD1-CB 4.26Å; L114-P150 HydrophobicContact CD1-CG 4.31Å; P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 PolarHBondContact O-N 3.35Å; P150-I153 PolarHBondContact O-N 2.87Å; P150-Y185 VanDerWaalsContact CD-OH 3.25Å; P150-Y185 WeakPolarHBondContact CD-OH 3.22Å; P150-Y185 HydrophobicContact CG-CE1 3.87Å; P150-Y185 WeakPolarHBondContact CG-OH 3.4Å; P150-I209 HydrophobicContact CG-CG1 4.25Å
151S88.8Confident90.4Very high59 Ų5931.9 Ų31.941%0.41317%0.17SC..G310 helixtrans-72.7-15.1177.570.10000114.5K149K149-S151 VanDerWaalsContact CE-OG 3.25Å; K149-S151 WeakPolarHBondContact CE-OG 3.4Å; K149-S151 WeakPolarHBondContact CG-OG 3.49Å; K149-S151 PolarHBondContact O-N 3.44Å; K149-S151 VanDerWaalsContact O-N 3.08Å
152N91.1Very high90.4Very high13 Ų1334.6 Ų34.67%0.0718%0.18CC..G310 helixtrans-101.412.5176.4-72.44.3000111.5D147 K149 P150 L164D147-N152 PolarHBondContact O-ND2 3.01Å; D147-N152 PolarHBondContact OD2-ND2 3.29Å; K149-N152 WeakPolarHBondContact CE-ND2 3.41Å; K149-N152 WeakPolarHBondContact CE-OD1 3.34Å; K149-N152 HydrophobicContact CG-CB 4.12Å; K149-N152 PolarHBondContact O-N 2.89Å; P150-N152 VanDerWaalsContact C-N 3.26Å; P150-N152 PolarHBondContact O-N 3.35Å; N152-L164 WeakPolarHBondContact O-CB 3.23Å; N152-L164 PolarHBondContact O-N 3.3Å
153I94.1Very high90.6Very high0 Ų033.4 Ų33.40%017%0.169CC..EExtended strand (participates in β ladder)trans-119.7110.7175.6-62.7-59.6000107D109 L110 I131 L148 P150 V155 L161 I163D109-I153 CarbonylContact C-O 3.48Å; D109-I153 VanDerWaalsContact CA-O 3.27Å; D109-I153 WeakPolarHBondContact CA-O 3.25Å; L110-I153 HydrophobicContact CB-CB 4.06Å; L110-I153 HydrophobicContact CB-CG2 4.04Å; L110-I153 HydrophobicContact CD2-CB 4.26Å; L110-I153 HydrophobicContact CD2-CG2 3.94Å; L110-I153 PolarHBondContact N-O 3.39Å; I131-I153 HydrophobicContact CG1-CD1 4.33Å; L148-I153 HydrophobicContact CD2-CD1 3.75Å; P150-I153 PolarHBondContact O-N 2.87Å; I153-V155 HydrophobicContact CG2-CG2 4.14Å; I153-L161 HydrophobicContact CG2-CD1 3.28Å; I153-L161 HydrophobicContact CG2-CD2 4.09Å; I153-L161 HydrophobicContact CG2-CG 3.56Å; I153-I163 HydrophobicContact CD1-CB 4.38Å; I153-I163 HydrophobicContact CD1-CG1 3.83Å
154A93.1Very high90.4Very high4 Ų435.1 Ų35.13%0.03318%0.178CC..EExtended strand (participates in β ladder)trans-90.4144.2174.500000110.2M106 S108 L161 R162 L164M106-A154 HydrophobicContact CB-CB 3.45Å; M106-A154 VanDerWaalsContact CB-CB 3.45Å; M106-A154 HydrophobicContact CE-CB 4.02Å; M106-A154 HydrophobicContact CG-CB 3.66Å; S108-A154 CarbonylContact O-C 3.56Å; S108-A154 WeakPolarHBondContact O-CA 3.32Å; A154-L161 CarbonylContact O-C 3.59Å; A154-L161 VanDerWaalsContact O-CA 3.24Å; A154-L161 WeakPolarHBondContact O-CA 3.49Å; A154-R162 PolarHBondContact N-O 3.1Å; A154-R162 PolarHBondContact O-N 3.48Å; A154-L164 HydrophobicContact CB-CD1 3.67Å; A154-L164 HydrophobicContact CB-CD2 3.88Å; A154-L164 HydrophobicContact CB-CG 3.91Å
155V92.6Very high89.8Confident3 Ų336.5 Ų36.52%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-142.1132.8-179.7-173.40000108.8S108 L110 I113 L127 I153 C159 E160 L161S108-V155 PolarHBondContact N-O 3.41Å; S108-V155 PolarHBondContact O-N 3.39Å; L110-V155 HydrophobicContact CB-CG2 4.47Å; L110-V155 HydrophobicContact CD1-CG2 4.28Å; I113-V155 HydrophobicContact CD1-CB 3.67Å; I113-V155 HydrophobicContact CD1-CG1 4.04Å; I113-V155 HydrophobicContact CD1-CG2 4.28Å; L127-V155 HydrophobicContact CD2-CG1 3.94Å; L127-V155 HydrophobicContact CD2-CG2 4Å; I153-V155 HydrophobicContact CG2-CG2 4.14Å; V155-C159 HydrophobicContact CG1-CB 4.46Å; V155-E160 WeakPolarHBondContact CA-O 3.45Å; V155-L161 HydrophobicContact CG2-CB 4.37Å; V155-L161 HydrophobicContact CG2-CD1 4.13Å; V155-L161 HydrophobicContact CG2-CG 4.27Å
156N87.4Confident89.2Confident40 Ų4036.6 Ų36.621%0.21419%0.185CC..  trans-90.5-176.1173.6716.6000112.2D158 C159 E160N156-D158 PolarHBondContact O-N 2.76Å; N156-D158 PolarHBondContact OD1-N 3Å; N156-D158 VanDerWaalsContact OD1-N 3.11Å; N156-C159 PolarHBondContact O-N 3.26Å; N156-C159 PolarHBondContact OD1-N 3.03Å; N156-E160 PolarHBondContact N-O 3.03Å; N156-E160 VanDerWaalsContact N-O 3.08Å; N156-E160 PolarHBondContact ND2-OE2 2.91Å; N156-E160 WeakPolarHBondContact OD1-CB 3.33Å; N156-E160 PolarHBondContact OD1-N 3.5Å
157E81.1Confident88.2Confident195 Ų19535.1 Ų35.191%0.91118%0.181SC*.THydrogen-bonded Turntrans-64-26.1-178.3-63-179.1179.400112.6C159E157-C159 VanDerWaalsContact C-N 3.28Å; E157-C159 PolarHBondContact O-N 3.1Å
158D83.7Confident87.3Confident123 Ų12335.9 Ų35.966%0.65818%0.184SC*.THydrogen-bonded Turntrans-88.39.9178.7-58.8-55.4000113.2N156 E160N156-D158 PolarHBondContact O-N 2.76Å; N156-D158 PolarHBondContact OD1-N 3Å; N156-D158 VanDerWaalsContact OD1-N 3.11Å; D158-E160 HydrophobicContact CB-CG 4.22Å; D158-E160 PolarHBondContact O-N 3.49Å
159C86.2Confident85.9Confident28 Ų2835.8 Ų35.819%0.18918%0.184CC..  trans61.917.4-173.9-64.20000114.9F126 L127 Q130 V155 N156 E157 L161F126-C159 HydrophobicContact CD1-CB 3.87Å; F126-C159 HydrophobicContact CE1-CB 3.99Å; L127-C159 HydrophobicContact CD2-CB 4.46Å; Q130-C159 PolarHBondContact NE2-O 3.12Å; V155-C159 HydrophobicContact CG1-CB 4.46Å; N156-C159 PolarHBondContact O-N 3.26Å; N156-C159 PolarHBondContact OD1-N 3.03Å; E157-C159 VanDerWaalsContact C-N 3.28Å; E157-C159 PolarHBondContact O-N 3.1Å; C159-L161 PolarHBondContact O-N 3.34Å
160E90.8Very high85.1Confident111 Ų11136.5 Ų36.552%0.51919%0.186SC..  trans-72.7124.7171.7-54.4175.7150.900109.3V155 N156 D158V155-E160 WeakPolarHBondContact CA-O 3.45Å; N156-E160 PolarHBondContact N-O 3.03Å; N156-E160 VanDerWaalsContact N-O 3.08Å; N156-E160 PolarHBondContact ND2-OE2 2.91Å; N156-E160 WeakPolarHBondContact OD1-CB 3.33Å; N156-E160 PolarHBondContact OD1-N 3.5Å; D158-E160 HydrophobicContact CB-CG 4.22Å; D158-E160 PolarHBondContact O-N 3.49Å
161L95.1Very high84.1Confident1 Ų139.2 Ų39.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-109.6139.9-168.6179150.6000111.1N79 L127 Q130 I131 I153 A154 V155 C159 I163N79-L161 WeakPolarHBondContact CA-O 3.21Å; N79-L161 PolarHBondContact ND2-O 2.67Å; L127-L161 HydrophobicContact CB-CD1 4.48Å; L127-L161 HydrophobicContact CD2-CD1 3.95Å; Q130-L161 HydrophobicContact CB-CB 3.95Å; Q130-L161 HydrophobicContact CB-CD2 4.29Å; I131-L161 HydrophobicContact CD1-CD1 3.95Å; I131-L161 HydrophobicContact CG1-CD1 3.45Å; I131-L161 VanDerWaalsContact CG1-CD1 3.45Å; I131-L161 HydrophobicContact CG1-CD2 3.81Å; I131-L161 HydrophobicContact CG1-CG 4.31Å; I153-L161 HydrophobicContact CG2-CD1 3.28Å; I153-L161 HydrophobicContact CG2-CD2 4.09Å; I153-L161 HydrophobicContact CG2-CG 3.56Å; A154-L161 CarbonylContact O-C 3.59Å; A154-L161 VanDerWaalsContact O-CA 3.24Å; A154-L161 WeakPolarHBondContact O-CA 3.49Å; V155-L161 HydrophobicContact CG2-CB 4.37Å; V155-L161 HydrophobicContact CG2-CD1 4.13Å; V155-L161 HydrophobicContact CG2-CG 4.27Å; C159-L161 PolarHBondContact O-N 3.34Å; L161-I163 HydrophobicContact CD2-CG1 4.27Å
162R95.5Very high82.6Confident56 Ų5637.8 Ų37.821%0.21119%0.19CC..EExtended strand (participates in β ladder)trans-127132.3165.6-66.5-168.2-176-172.1-1.9112.1E78 D82 M106 A154 L164E78-R162 VanDerWaalsContact O-CG 3.23Å; E78-R162 WeakPolarHBondContact O-CG 3.27Å; E78-R162 PolarHBondContact O-NE 3.3Å; D82-R162 IonicContact OD1-NH1 3.05Å; D82-R162 PolarHBondContact OD1-NH1 2.62Å; D82-R162 IonicContact OD2-CZ 2.93Å; D82-R162 IonicContact OD2-NH1 3.89Å; D82-R162 PolarHBondContact OD2-NH1 3.27Å; M106-R162 HydrophobicContact CE-CB 3.79Å; M106-R162 HydrophobicContact CE-CG 3.59Å; M106-R162 HydrophobicContact SD-CB 4.19Å; M106-R162 VanDerWaalsContact SD-CD 3.52Å; M106-R162 HydrophobicContact SD-CG 3.86Å; A154-R162 PolarHBondContact N-O 3.1Å; A154-R162 PolarHBondContact O-N 3.48Å; R162-L164 HydrophobicContact CB-CD2 4.4Å
163I96.1Very high80.9Confident0 Ų044.2 Ų44.20%023%0.225CC..EExtended strand (participates in β ladder)trans-72.1124.9167.7-61.7170.8000108.5N79 I81 I131 L135 I138 L148 I153 L161N79-I163 PolarHBondContact O-N 3.4Å; I81-I163 WeakPolarHBondContact CB-O 3.35Å; I81-I163 WeakPolarHBondContact CG2-O 3.38Å; I81-I163 PolarHBondContact N-O 3.35Å; I131-I163 HydrophobicContact CG2-CD1 4.45Å; L135-I163 HydrophobicContact CD2-CD1 4.27Å; L135-I163 HydrophobicContact CG-CD1 4.14Å; I138-I163 HydrophobicContact CD1-CB 4.47Å; I138-I163 HydrophobicContact CD1-CD1 3.88Å; I138-I163 HydrophobicContact CD1-CG2 4.21Å; L148-I163 HydrophobicContact CD2-CG2 3.82Å; I153-I163 HydrophobicContact CD1-CB 4.38Å; I153-I163 HydrophobicContact CD1-CG1 3.83Å; L161-I163 HydrophobicContact CD2-CG1 4.27Å
164L89.6Confident79.1Confident37 Ų3746.6 Ų46.619%0.19424%0.237CC..  trans-106.8165.4-178.3-50.1179.8000111.5I81 H145 N152 A154 R162I81-L164 HydrophobicContact CB-CD2 3.98Å; I81-L164 HydrophobicContact CD1-CD2 3.85Å; I81-L164 HydrophobicContact CG1-CD2 4.05Å; H145-L164 PolarHBondContact NE2-O 3.4Å; N152-L164 WeakPolarHBondContact O-CB 3.23Å; N152-L164 PolarHBondContact O-N 3.3Å; A154-L164 HydrophobicContact CB-CD1 3.67Å; A154-L164 HydrophobicContact CB-CD2 3.88Å; A154-L164 HydrophobicContact CB-CG 3.91Å; R162-L164 HydrophobicContact CB-CD2 4.4Å
165D79.3Confident77.1Confident30 Ų3053.5 Ų53.516%0.1627%0.269CS..  trans58.882164.8-163.213.4000117.1K50 H145 G167K50-D165 IonicContact NZ-OD1 3.92Å; K50-D165 PolarHBondContact NZ-OD1 2.73Å; H145-D165 PolarHBondContact NE2-O 3.38Å; D165-G167 PolarHBondContact O-N 2.99Å; D165-G167 WeakPolarHBondContact OD1-CA 3.49Å; D165-G167 PolarHBondContact OD1-N 3.45Å
166F77.6Confident75Confident2 Ų256 Ų561%0.00928%0.281CS..G310 helixtrans-77.814.6168-65.7-81.5000114.2V71 L72 M75 V80 I81 I138 H145 L168 A169V71-F166 HydrophobicContact CG1-CB 3.97Å; V71-F166 HydrophobicContact CG1-CD1 3.74Å; V71-F166 HydrophobicContact CG1-CD2 4.09Å; V71-F166 HydrophobicContact CG1-CE1 4.21Å; V71-F166 HydrophobicContact CG1-CG 3.66Å; L72-F166 HydrophobicContact CD2-CD2 3.75Å; L72-F166 HydrophobicContact CD2-CE2 4.19Å; L72-F166 HydrophobicContact CG-CD2 4.4Å; M75-F166 HydrophobicContact CG-CE2 4.16Å; M75-F166 HydrophobicContact CG-CZ 4.06Å; M75-F166 HydrophobicContact SD-CZ 4.27Å; V80-F166 HydrophobicContact CG1-CE2 3.62Å; V80-F166 HydrophobicContact CG1-CZ 3.46Å; V80-F166 VanDerWaalsContact CG1-CZ 3.46Å; I81-F166 HydrophobicContact CG2-CD2 4.18Å; I81-F166 HydrophobicContact CG2-CE2 3.85Å; I138-F166 HydrophobicContact CD1-CE1 3.75Å; I138-F166 HydrophobicContact CD1-CZ 3.72Å; I138-F166 HydrophobicContact CG1-CE1 3.97Å; I138-F166 HydrophobicContact CG1-CZ 3.98Å; I138-F166 HydrophobicContact CG2-CE1 4.1Å; H145-F166 AromaticContact CD2-CD1 3.94Å; H145-F166 AromaticContact CD2-CE1 3.93Å; F166-L168 PolarHBondContact O-N 3.09Å; F166-A169 HydrophobicContact CB-CB 3.85Å; F166-A169 HydrophobicContact CD1-CB 3.83Å; F166-A169 HydrophobicContact CG-CB 4.35Å; F166-A169 VanDerWaalsContact O-CB 3.27Å; F166-A169 WeakPolarHBondContact O-CB 3.48Å; F166-A169 PolarHBondContact O-N 3.29Å
167G67.1Low72.7Confident3 Ų359.2 Ų59.23%0.03130%0.302CS..G310 helixtrans-57.5-22.1-175.600000113.9R64 D165R64-G167 VanDerWaalsContact CZ-O 3.25Å; R64-G167 PolarHBondContact NE-O 2.89Å; R64-G167 PolarHBondContact NH2-O 3.48Å; D165-G167 PolarHBondContact O-N 2.99Å; D165-G167 WeakPolarHBondContact OD1-CA 3.49Å; D165-G167 PolarHBondContact OD1-N 3.45Å
168L68.8Low70.6Confident22 Ų2253.5 Ų53.512%0.11530%0.296CS..G310 helixtrans-110.84.6175.5-69.9176.1000114.1R64 R146 D147 F166R64-L168 VanDerWaalsContact NH2-CD2 3.28Å; R146-L168 VanDerWaalsContact CZ-O 3.31Å; R146-L168 PolarHBondContact NE-O 3.05Å; R146-L168 PolarHBondContact NH2-O 3.11Å; D147-L168 HydrophobicContact CB-CB 4.2Å; D147-L168 HydrophobicContact CB-CD1 3.75Å; D147-L168 HydrophobicContact CB-CG 4.47Å; F166-L168 PolarHBondContact O-N 3.09Å
169A62.8Low68.6Low0 Ų053 Ų530%029%0.285CS..  trans-63.5148.5-178.900000112.1R67 I143 I144 F166R67-A169 WeakPolarHBondContact CD-O 3.33Å; I143-A169 HydrophobicContact CG2-CB 3.82Å; I144-A169 WeakPolarHBondContact O-CA 3.25Å; F166-A169 HydrophobicContact CB-CB 3.85Å; F166-A169 HydrophobicContact CD1-CB 3.83Å; F166-A169 HydrophobicContact CG-CB 4.35Å; F166-A169 VanDerWaalsContact O-CB 3.27Å; F166-A169 WeakPolarHBondContact O-CB 3.48Å; F166-A169 PolarHBondContact O-N 3.29Å
170R74.8Confident66.5Low35 Ų3557.7 Ų57.713%0.13231%0.313CS..EExtended strand (participates in β ladder)trans-147164.3178.4-75.7-65.5-176.7-77.32111.2I144 D174I144-R170 PolarHBondContact N-O 3.2Å; I144-R170 PolarHBondContact O-N 2.76Å; I144-R170 VanDerWaalsContact O-N 3.16Å; R170-D174 HydrophobicContact CB-CB 4.38Å
171Q71Confident64.8Low62 Ų6253.1 Ų53.129%0.2929%0.294SS..EExtended strand (participates in β ladder)trans-60.5148.3161.8-167.2168.324.200110D173 D174 F339Q171-D173 PolarHBondContact O-N 3.3Å; Q171-D174 PolarHBondContact O-N 3.28Å; Q171-F339 HydrophobicContact CB-CB 4.14Å; Q171-F339 HydrophobicContact CB-CD1 4.22Å; Q171-F339 HydrophobicContact CB-CD2 3.58Å; Q171-F339 HydrophobicContact CB-CE2 3.89Å; Q171-F339 HydrophobicContact CB-CG 3.74Å; Q171-F339 HydrophobicContact CB-CZ 4.37Å; Q171-F339 HydrophobicContact CG-CB 4.2Å; Q171-F339 HydrophobicContact CG-CD2 3.61Å; Q171-F339 HydrophobicContact CG-CE2 4.15Å; Q171-F339 HydrophobicContact CG-CG 4.06Å; Q171-F339 VanDerWaalsContact OE1-CB 3.27Å
172A57.8Low63.3Low29 Ų2955.4 Ų55.424%0.2431%0.308CS..THydrogen-bonded Turntrans-58.5-21.5-175.400000115.6G142 I144G142-A172 PolarHBondContact O-N 3.45Å; I144-A172 HydrophobicContact CD1-CB 3.87Å; I144-A172 HydrophobicContact CG1-CB 4.06Å
173D55.3Low62.4Low147 Ų14754.7 Ų54.779%0.78631%0.305SS*.THydrogen-bonded Turntrans-107.611.7-172.8-61.9-38.5000114.9Q171Q171-D173 PolarHBondContact O-N 3.3Å
174D54.5Low62Low50 Ų5058.1 Ų58.127%0.26732%0.318SS..PPolyproline II helixtrans-95.9138.4-168.3-117.8-2.9000115.2R170 Q171R170-D174 HydrophobicContact CB-CB 4.38Å; Q171-D174 PolarHBondContact O-N 3.28Å
175E51.5Low62.1Low149 Ų14957.1 Ų57.170%0.69631%0.312SS*.PPolyproline II helixtrans-75.4153.9-177.5-69.9-176.3178.700115.1
176M48.2Very low62.5Low55 Ų5557.4 Ų57.427%0.27131%0.311SS..PPolyproline II helixtrans-97.4155.1-161.8-87.2-173.349.600116.9I190 Y197M176-I190 HydrophobicContact CE-CG2 4.06Å; M176-I190 HydrophobicContact SD-CG2 4.28Å; M176-Y197 HydrophobicContact CG-CE1 4.16Å; M176-Y197 HydrophobicContact SD-CE1 3.85Å
177T39.6Very low63.1Low108 Ų10857.3 Ų57.366%0.66331%0.311SS*.  trans-127.2136.6156.549.50000110.3Y179T177-Y179 PolarHBondContact O-N 3.17Å
178G36.5Very low64.1Low75 Ų7557.3 Ų57.377%0.77331%0.31SS*.  trans-72.7120.9-176.200000112.7
179Y42.7Very low64.8Low113 Ų11356.2 Ų56.244%0.44331%0.305SS..  trans-126.7148.9176.7-112.6-93.8000112.9T177 A181 R186T177-Y179 PolarHBondContact O-N 3.17Å; Y179-A181 PolarHBondContact O-N 3.29Å; Y179-R186 PolarHBondContact O-NH1 3.48Å; Y179-R186 PolarHBondContact O-NH2 2.92Å
180V42.7Very low65.6Low126 Ų12657 Ų5776%0.76431%0.308SS*.  trans-78.899.4-179.3-173.70000109.3
181A53.9Low65.7Low16 Ų1656 Ų5613%0.13231%0.306CS..SBendtrans-140.5164.9167.400000108.2Y179 R183Y179-A181 PolarHBondContact O-N 3.29Å; A181-R183 WeakPolarHBondContact O-CG 3.24Å; A181-R183 PolarHBondContact O-N 3.08Å; A181-R183 VanDerWaalsContact O-N 3.09Å
182T65Low65.8Low48 Ų4854.4 Ų54.429%0.29430%0.299SS..  trans-50.5115.6176.8-49.60000110.4W184 Y185T182-W184 HydrophobicContact CG2-CB 4.31Å; T182-W184 HydrophobicContact CG2-CD2 3.78Å; T182-W184 HydrophobicContact CG2-CE3 3.89Å; T182-W184 HydrophobicContact CG2-CG 3.98Å; T182-Y185 HydrophobicContact CG2-CD2 4.47Å; T182-Y185 HydrophobicContact CG2-CE2 4.2Å
183R76.5Confident66.2Low41 Ų4157.6 Ų57.616%0.15531%0.312CS..  trans-86.6-8.9-172-60.9-170.6-177.5123.68.4114.3A181 Y185 R186 V241 D242A181-R183 WeakPolarHBondContact O-CG 3.24Å; A181-R183 PolarHBondContact O-N 3.08Å; A181-R183 VanDerWaalsContact O-N 3.09Å; R183-Y185 PolarHBondContact O-N 3.42Å; R183-Y185 VanDerWaalsContact O-N 3.09Å; R183-R186 WeakPolarHBondContact O-CB 3.36Å; R183-R186 PolarHBondContact O-N 2.89Å; R183-V241 PolarHBondContact NH1-O 3.42Å; R183-D242 WeakPolarHBondContact CD-OD1 3.22Å; R183-D242 IonicContact CZ-OD1 3.79Å; R183-D242 IonicContact NE-OD1 3.66Å; R183-D242 PolarHBondContact NE-OD1 2.78Å
184W87Confident66.7Low72 Ų7251.4 Ų51.427%0.27328%0.277SS..THydrogen-bonded Turntrans-61.8-24.2-166.6-56.3-20.2000114.6T182 T218 F220 G222 Q245T182-W184 HydrophobicContact CG2-CB 4.31Å; T182-W184 HydrophobicContact CG2-CD2 3.78Å; T182-W184 HydrophobicContact CG2-CE3 3.89Å; T182-W184 HydrophobicContact CG2-CG 3.98Å; W184-T218 HydrophobicContact CB-CG2 4.14Å; W184-T218 HydrophobicContact CD2-CG2 4.22Å; W184-T218 HydrophobicContact CE3-CG2 3.73Å; W184-T218 HydrophobicContact CG-CG2 4.43Å; W184-T218 HydrophobicContact CZ3-CG2 4.45Å; W184-F220 WeakPolarHBondContact CB-O 3.28Å; W184-G222 VanDerWaalsContact CD1-N 3.28Å; W184-G222 PolarHBondContact NE1-O 2.84Å; W184-Q245 PolarHBondContact O-NE2 3.35Å
185Y91.6Very high67.1Low17 Ų1753.6 Ų53.67%0.06729%0.287CS..THydrogen-bonded Turntrans-105.7-3.4-178.5-49.4-85.5000112.8L148 K149 P150 T182 R183 S205 C208 I209 E212L148-Y185 VanDerWaalsContact O-CB 3.25Å; L148-Y185 WeakPolarHBondContact O-CB 3.5Å; K149-Y185 HydrophobicContact CB-CD2 3.37Å; K149-Y185 HydrophobicContact CB-CE2 3.65Å; K149-Y185 HydrophobicContact CB-CG 3.93Å; P150-Y185 VanDerWaalsContact CD-OH 3.25Å; P150-Y185 WeakPolarHBondContact CD-OH 3.22Å; P150-Y185 HydrophobicContact CG-CE1 3.87Å; P150-Y185 WeakPolarHBondContact CG-OH 3.4Å; T182-Y185 HydrophobicContact CG2-CD2 4.47Å; T182-Y185 HydrophobicContact CG2-CE2 4.2Å; R183-Y185 PolarHBondContact O-N 3.42Å; R183-Y185 VanDerWaalsContact O-N 3.09Å; Y185-S205 WeakPolarHBondContact O-CA 3.48Å; Y185-S205 WeakPolarHBondContact O-CB 3.32Å; Y185-S205 PolarHBondContact O-OG 3.06Å; Y185-C208 HydrophobicContact CD1-CB 3.76Å; Y185-I209 HydrophobicContact CD1-CG1 3.98Å; Y185-I209 HydrophobicContact CE1-CG1 4.21Å; Y185-E212 PolarHBondContact OH-OE2 3.35Å
186R88.4Confident67.8Low35 Ų3552.5 Ų52.513%0.13228%0.282CS..  trans-71.3137.9-177-69.3-176.7178.8179.1-2.2110.9Y179 R183 M191 W204Y179-R186 PolarHBondContact O-NH1 3.48Å; Y179-R186 PolarHBondContact O-NH2 2.92Å; R183-R186 WeakPolarHBondContact O-CB 3.36Å; R183-R186 PolarHBondContact O-N 2.89Å; R186-M191 HydrophobicContact CB-CG 4.25Å; R186-W204 PolarHBondContact O-NE1 3.44Å
187A89.5Confident69Low0 Ų050.8 Ų50.80%027%0.272CS..  trans-65146.6172.700000111.5E189 I190 M191 V201 W204A187-E189 VanDerWaalsContact C-N 3.25Å; A187-E189 VanDerWaalsContact CB-CD 3.46Å; A187-E189 HydrophobicContact CB-CG 4.27Å; A187-E189 WeakPolarHBondContact CB-OE1 3.34Å; A187-E189 WeakPolarHBondContact CB-OE2 3.5Å; A187-E189 PolarHBondContact O-N 3Å; A187-I190 HydrophobicContact CB-CD1 4.49Å; A187-I190 WeakPolarHBondContact O-CB 3.24Å; A187-I190 PolarHBondContact O-N 2.92Å; A187-I190 VanDerWaalsContact O-N 3.09Å; A187-M191 PolarHBondContact O-N 2.87Å; A187-V201 HydrophobicContact CB-CB 3.94Å; A187-V201 HydrophobicContact CB-CG1 3.98Å; A187-W204 VanDerWaalsContact CA-CD1 3.45Å; A187-W204 HydrophobicContact CB-CB 3.82Å; A187-W204 HydrophobicContact CB-CD2 4.43Å; A187-W204 HydrophobicContact CB-CG 3.79Å
188P87Confident71.2Confident3 Ų347.6 Ų47.62%0.01925%0.251CS..Hα-helixtrans-59.5-33.7-176.322.1-32.5000113.1I190 M191 L192 W204 L246 I249 L305P188-I190 VanDerWaalsContact C-N 3.34Å; P188-I190 PolarHBondContact O-N 2.77Å; P188-M191 WeakPolarHBondContact O-CB 3.42Å; P188-M191 PolarHBondContact O-N 3.36Å; P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.45Å; P188-L192 PolarHBondContact O-N 3.39Å; P188-W204 HydrophobicContact CG-CE3 4.49Å; P188-W204 HydrophobicContact CG-CH2 4.21Å; P188-W204 HydrophobicContact CG-CZ2 4.44Å; P188-W204 HydrophobicContact CG-CZ3 4.22Å; P188-L246 HydrophobicContact CB-CD1 3.94Å; P188-I249 HydrophobicContact CB-CD1 4.35Å; P188-L305 HydrophobicContact CB-CD2 4.34Å; P188-L305 HydrophobicContact CG-CD2 3.87Å
189E84.6Confident73.8Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-64.5-33.9176.960.5-88.8-152.500113.4A187 M191 N193 W194 V201 R310A187-E189 VanDerWaalsContact C-N 3.25Å; A187-E189 VanDerWaalsContact CB-CD 3.46Å; A187-E189 HydrophobicContact CB-CG 4.27Å; A187-E189 WeakPolarHBondContact CB-OE1 3.34Å; A187-E189 WeakPolarHBondContact CB-OE2 3.5Å; A187-E189 PolarHBondContact O-N 3Å; E189-M191 VanDerWaalsContact C-N 3.34Å; E189-N193 PolarHBondContact O-N 3.03Å; E189-W194 HydrophobicContact CB-CB 4.12Å; E189-W194 HydrophobicContact CB-CD2 4.27Å; E189-W194 HydrophobicContact CB-CE3 3.48Å; E189-W194 VanDerWaalsContact CB-CE3 3.48Å; E189-W194 HydrophobicContact CB-CZ3 4.16Å; E189-W194 WeakPolarHBondContact O-CB 3.17Å; E189-W194 PolarHBondContact O-N 2.96Å; E189-V201 HydrophobicContact CG-CG1 3.81Å; E189-V201 VanDerWaalsContact OE1-CG1 3.27Å; E189-V201 WeakPolarHBondContact OE1-CG1 3.49Å; E189-R310 IonicContact OE1-CZ 3.93Å; E189-R310 VanDerWaalsContact OE1-CZ 3.28Å; E189-R310 IonicContact OE1-NH1 3.45Å; E189-R310 PolarHBondContact OE1-NH1 3.29Å; E189-R310 IonicContact OE1-NH2 2.68Å; E189-R310 PolarHBondContact OE1-NH2 2.85Å; E189-R310 IonicContact OE2-CZ 2.91Å; E189-R310 IonicContact OE2-NH1 3.05Å; E189-R310 IonicContact OE2-NH2 3.21Å; E189-R310 PolarHBondContact OE2-NH2 2.9Å
190I79.6Confident76.3Confident15 Ų1541.9 Ų41.98%0.07721%0.209CC..Hα-helixtrans-66.7-40.4173.5-66.7177.5000109.8M176 A187 P188 N193 V201M176-I190 HydrophobicContact CE-CG2 4.06Å; M176-I190 HydrophobicContact SD-CG2 4.28Å; A187-I190 HydrophobicContact CB-CD1 4.49Å; A187-I190 WeakPolarHBondContact O-CB 3.24Å; A187-I190 PolarHBondContact O-N 2.92Å; A187-I190 VanDerWaalsContact O-N 3.09Å; P188-I190 VanDerWaalsContact C-N 3.34Å; P188-I190 PolarHBondContact O-N 2.77Å; I190-N193 PolarHBondContact O-N 3.35Å; I190-V201 HydrophobicContact CD1-CB 3.79Å; I190-V201 HydrophobicContact CD1-CG1 3.94Å; I190-V201 HydrophobicContact CD1-CG2 4.11Å; I190-V201 HydrophobicContact CG1-CB 4.37Å; I190-V201 HydrophobicContact CG1-CG1 3.96Å
191M76.3Confident78.7Confident16 Ų1635.9 Ų35.98%0.07917%0.172CC..Hα-helixtrans-70.5-34.1-178.5-61.6164.953.400112.5R186 A187 P188 E189 N193 D242 Q245 L246 I249R186-M191 HydrophobicContact CB-CG 4.25Å; A187-M191 PolarHBondContact O-N 2.87Å; P188-M191 WeakPolarHBondContact O-CB 3.42Å; P188-M191 PolarHBondContact O-N 3.36Å; E189-M191 VanDerWaalsContact C-N 3.34Å; M191-N193 PolarHBondContact O-N 2.82Å; M191-D242 HydrophobicContact CB-CB 4Å; M191-D242 HydrophobicContact CE-CB 3.78Å; M191-D242 WeakPolarHBondContact CE-O 3.27Å; M191-Q245 HydrophobicContact CE-CB 3.35Å; M191-Q245 HydrophobicContact CE-CG 3.3Å; M191-Q245 HydrophobicContact SD-CB 4.39Å; M191-Q245 HydrophobicContact SD-CG 3.69Å; M191-L246 HydrophobicContact CE-CB 4.07Å; M191-I249 HydrophobicContact CE-CD1 4.43Å; M191-I249 HydrophobicContact SD-CD1 3.93Å
192L73.9Confident80.6Confident28 Ų2835.1 Ų35.115%0.14717%0.166CC..THydrogen-bonded Turntrans-815.2177.2-66.6173.2000113P188 W194 L246 I264 A269 I273P188-L192 VanDerWaalsContact O-CG 3.31Å; P188-L192 WeakPolarHBondContact O-CG 3.45Å; P188-L192 PolarHBondContact O-N 3.39Å; L192-W194 PolarHBondContact O-N 3.38Å; L192-L246 HydrophobicContact CD2-CD2 3.75Å; L192-L246 HydrophobicContact CG-CD2 4.43Å; L192-I264 HydrophobicContact CD1-CD1 4.24Å; L192-A269 HydrophobicContact CD2-CB 4.05Å; L192-I273 HydrophobicContact CD1-CD1 3.83Å; L192-I273 HydrophobicContact CD2-CD1 4.4Å
193N66.6Low82.2Confident95 Ų9532.8 Ų32.851%0.50815%0.152SC..THydrogen-bonded Turntrans49.741.3-174.8-165.358.1000112E189 I190 M191 M195E189-N193 PolarHBondContact O-N 3.03Å; I190-N193 PolarHBondContact O-N 3.35Å; M191-N193 PolarHBondContact O-N 2.82Å; N193-M195 PolarHBondContact O-N 3.17Å
194W66Low83.2Confident17 Ų1730.9 Ų30.96%0.06415%0.145CC..  trans-72.6121.1178.4-166.3-7.6000108.4E189 L192 H196 Y197 F260 K263 P307E189-W194 HydrophobicContact CB-CB 4.12Å; E189-W194 HydrophobicContact CB-CD2 4.27Å; E189-W194 HydrophobicContact CB-CE3 3.48Å; E189-W194 VanDerWaalsContact CB-CE3 3.48Å; E189-W194 HydrophobicContact CB-CZ3 4.16Å; E189-W194 WeakPolarHBondContact O-CB 3.17Å; E189-W194 PolarHBondContact O-N 2.96Å; L192-W194 PolarHBondContact O-N 3.38Å; W194-H196 PolarHBondContact O-N 2.99Å; W194-Y197 WeakPolarHBondContact O-CD1 3.42Å; W194-F260 HydrophobicContact CE3-CZ 4.47Å; W194-F260 HydrophobicContact CH2-CD2 4.29Å; W194-F260 AromaticContact CH2-CE2 3.63Å; W194-F260 HydrophobicContact CH2-CE2 3.63Å; W194-F260 HydrophobicContact CH2-CZ 4.25Å; W194-F260 HydrophobicContact CZ3-CD2 4.41Å; W194-F260 AromaticContact CZ3-CE2 3.37Å; W194-F260 HydrophobicContact CZ3-CE2 3.37Å; W194-F260 AromaticContact CZ3-CZ 3.58Å; W194-F260 HydrophobicContact CZ3-CZ 3.58Å; W194-K263 HydrophobicContact CH2-CB 3.83Å; W194-K263 HydrophobicContact CH2-CD 4.33Å; W194-K263 HydrophobicContact CZ2-CB 3.54Å; W194-K263 PolarHBondContact NE1-O 3.41Å; W194-P307 HydrophobicContact CH2-CG 4.16Å; W194-P307 HydrophobicContact CZ3-CG 4.05Å
195M61.3Low83.7Confident96 Ų9627.6 Ų27.647%0.47313%0.133SC..SBendtrans-67.7-20.9-175.3-70.3178165.400114.1N193N193-M195 PolarHBondContact O-N 3.17Å
196H66.5Low84Confident127 Ų12726.8 Ų26.859%0.58813%0.13SC*.  trans-114.588-180-56.8-57.8000109.7W194 Q265W194-H196 PolarHBondContact O-N 2.99Å; H196-Q265 PolarHBondContact CD2-NE2 2.78Å; H196-Q265 PolarHBondContact NE2-NE2 2.58Å
197Y74.8Confident84.5Confident18 Ų1825.1 Ų25.17%0.07112%0.123CC..  trans-118156.9164.862.2-89.2000108.9I144 R146 M176 W194 V201I144-Y197 HydrophobicContact CD1-CD2 4.21Å; I144-Y197 HydrophobicContact CD1-CE2 4.07Å; R146-Y197 PolarHBondContact NH1-OH 2.86Å; M176-Y197 HydrophobicContact CG-CE1 4.16Å; M176-Y197 HydrophobicContact SD-CE1 3.85Å; W194-Y197 WeakPolarHBondContact O-CD1 3.42Å; Y197-V201 HydrophobicContact CD2-CG1 3.62Å; Y197-V201 HydrophobicContact CD2-CG2 4.15Å; Y197-V201 HydrophobicContact CG-CG1 3.97Å
198N84.9Confident84.8Confident41 Ų4125.2 Ų25.222%0.21912%0.124CC..  trans-116.9-174.3-179.764.231.3000110T200 V201 P307N198-T200 PolarHBondContact O-N 3.2Å; N198-T200 WeakPolarHBondContact OD1-CB 3.26Å; N198-T200 WeakPolarHBondContact OD1-CG2 3.4Å; N198-T200 PolarHBondContact OD1-N 3.16Å; N198-T200 PolarHBondContact OD1-OG1 3.43Å; N198-V201 WeakPolarHBondContact O-CG2 3.35Å; N198-V201 PolarHBondContact O-N 3.44Å; N198-P307 PolarHBondContact ND2-O 3.49Å
199H90.7Very high85.3Confident64 Ų6425 Ų2530%0.29612%0.123SC..THydrogen-bonded Turntrans-59.5-17.2-179.160.4-91.4000114.3H139 I144 V201 D202H139-H199 HydrophobicContact CB-CB 4.24Å; H139-H199 AromaticContact CE1-CD2 3.98Å; H139-H199 PolarHBondContact CE1-O 3.01Å; H139-H199 AromaticContact ND1-CD2 3.41Å; H139-H199 PolarHBondContact ND1-CD2 3.36Å; H139-H199 AromaticContact ND1-CG 3.82Å; H139-H199 PolarHBondContact NE2-O 3.42Å; I144-H199 HydrophobicContact CD1-CB 4.47Å; I144-H199 HydrophobicContact CG1-CB 4.14Å; H199-V201 PolarHBondContact O-N 3.4Å; H199-V201 VanDerWaalsContact O-N 3.1Å; H199-D202 PolarHBondContact O-N 3.38Å; H199-D202 VanDerWaalsContact O-N 3.12Å
200T94.6Very high85.9Confident4 Ų425 Ų253%0.02512%0.123CC..Hα-helixtrans-67.1-9.8178.673.70000113.7N198 D202 V203 W204 P307 R310 N312N198-T200 PolarHBondContact O-N 3.2Å; N198-T200 WeakPolarHBondContact OD1-CB 3.26Å; N198-T200 WeakPolarHBondContact OD1-CG2 3.4Å; N198-T200 PolarHBondContact OD1-N 3.16Å; N198-T200 PolarHBondContact OD1-OG1 3.43Å; T200-D202 PolarHBondContact O-N 2.89Å; T200-V203 WeakPolarHBondContact O-CB 3.44Å; T200-V203 PolarHBondContact O-N 3.01Å; T200-V203 VanDerWaalsContact O-N 3.1Å; T200-W204 PolarHBondContact O-N 3.32Å; T200-P307 PolarHBondContact OG1-O 3.36Å; T200-R310 VanDerWaalsContact C-NH1 3.34Å; T200-R310 WeakPolarHBondContact O-CD 3.27Å; T200-R310 PolarHBondContact O-NH1 2.96Å; T200-R310 PolarHBondContact OG1-NH1 2.97Å; T200-N312 HydrophobicContact CG2-CB 4.42Å
201V93.3Very high86.7Confident0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-58.6-33.4168.9-63.20000112.1I144 R146 A187 E189 I190 Y197 N198 H199 S205I144-V201 HydrophobicContact CG2-CG2 3.33Å; R146-V201 HydrophobicContact CG-CG2 4.34Å; A187-V201 HydrophobicContact CB-CB 3.94Å; A187-V201 HydrophobicContact CB-CG1 3.98Å; E189-V201 HydrophobicContact CG-CG1 3.81Å; E189-V201 VanDerWaalsContact OE1-CG1 3.27Å; E189-V201 WeakPolarHBondContact OE1-CG1 3.49Å; I190-V201 HydrophobicContact CD1-CB 3.79Å; I190-V201 HydrophobicContact CD1-CG1 3.94Å; I190-V201 HydrophobicContact CD1-CG2 4.11Å; I190-V201 HydrophobicContact CG1-CB 4.37Å; I190-V201 HydrophobicContact CG1-CG1 3.96Å; Y197-V201 HydrophobicContact CD2-CG1 3.62Å; Y197-V201 HydrophobicContact CD2-CG2 4.15Å; Y197-V201 HydrophobicContact CG-CG1 3.97Å; N198-V201 WeakPolarHBondContact O-CG2 3.35Å; N198-V201 PolarHBondContact O-N 3.44Å; H199-V201 PolarHBondContact O-N 3.4Å; H199-V201 VanDerWaalsContact O-N 3.1Å; V201-S205 PolarHBondContact O-N 3.01Å; V201-S205 PolarHBondContact O-OG 3.23Å
202D95.6Very high87.6Confident0 Ų024.4 Ų24.40%012%0.119CC..Hα-helixtrans-71.3-38176-67-30.1000110L135 H139 I144 H145 R146 L148 H199 T200 W204 S205 V206L135-D202 HydrophobicContact CD1-CB 3.83Å; L135-D202 HydrophobicContact CD2-CB 3.84Å; H139-D202 IonicContact CD2-OD2 3.96Å; H139-D202 IonicContact CE1-OD2 2.65Å; H139-D202 IonicContact NE2-OD2 3.49Å; H139-D202 PolarHBondContact NE2-OD2 2.88Å; I144-D202 WeakPolarHBondContact CG2-OD2 3.44Å; H145-D202 PolarHBondContact N-OD2 3.46Å; R146-D202 WeakPolarHBondContact CA-OD1 3.49Å; R146-D202 PolarHBondContact N-OD1 3.28Å; L148-D202 HydrophobicContact CD1-CB 4.15Å; H199-D202 PolarHBondContact O-N 3.38Å; H199-D202 VanDerWaalsContact O-N 3.12Å; T200-D202 PolarHBondContact O-N 2.89Å; D202-W204 VanDerWaalsContact C-N 3.32Å; D202-W204 PolarHBondContact O-N 2.98Å; D202-S205 CarbonylContact O-C 3.57Å; D202-S205 WeakPolarHBondContact O-CA 3.43Å; D202-S205 WeakPolarHBondContact O-CB 3.21Å; D202-S205 PolarHBondContact O-N 2.85Å; D202-V206 WeakPolarHBondContact O-CG2 3.35Å; D202-V206 PolarHBondContact O-N 2.88Å
203V98.2Very high88.6Confident0 Ų023.3 Ų23.30%011%0.113CC..Hα-helixtrans-65.2-34.5177.1-176.30000112T200 S205 V206 G207 M302 I311T200-V203 WeakPolarHBondContact O-CB 3.44Å; T200-V203 PolarHBondContact O-N 3.01Å; T200-V203 VanDerWaalsContact O-N 3.1Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 2.95Å; V203-V206 PolarHBondContact O-N 3.18Å; V203-G207 PolarHBondContact O-N 3.38Å; V203-M302 HydrophobicContact CG1-CB 4.29Å; V203-M302 HydrophobicContact CG1-CG 3.8Å; V203-I311 HydrophobicContact CG1-CG2 3.92Å; V203-I311 WeakPolarHBondContact CG1-O 3.13Å
204W97.4Very high90Very high0 Ų020.5 Ų20.50%010%0.098CC..Hα-helixtrans-59.6-44.6168.8176.7-80000111.7R186 A187 P188 T200 D202 V206 G207 C208 F220 I249 V253 L303 L305R186-W204 PolarHBondContact O-NE1 3.44Å; A187-W204 VanDerWaalsContact CA-CD1 3.45Å; A187-W204 HydrophobicContact CB-CB 3.82Å; A187-W204 HydrophobicContact CB-CD2 4.43Å; A187-W204 HydrophobicContact CB-CG 3.79Å; P188-W204 HydrophobicContact CG-CE3 4.49Å; P188-W204 HydrophobicContact CG-CH2 4.21Å; P188-W204 HydrophobicContact CG-CZ2 4.44Å; P188-W204 HydrophobicContact CG-CZ3 4.22Å; T200-W204 PolarHBondContact O-N 3.32Å; D202-W204 VanDerWaalsContact C-N 3.32Å; D202-W204 PolarHBondContact O-N 2.98Å; W204-V206 VanDerWaalsContact C-N 3.3Å; W204-V206 PolarHBondContact O-N 3.32Å; W204-G207 PolarHBondContact O-N 2.82Å; W204-G207 VanDerWaalsContact O-N 3.12Å; W204-C208 PolarHBondContact NE1-SG 3.49Å; W204-C208 VanDerWaalsContact NE1-SG 3.44Å; W204-C208 PolarHBondContact O-N 2.86Å; W204-C208 PolarHBondContact O-SG 3.13Å; W204-C208 VanDerWaalsContact O-SG 3.32Å; W204-F220 AromaticContact CZ2-CE2 3.85Å; W204-F220 HydrophobicContact CZ2-CE2 3.85Å; W204-F220 HydrophobicContact CZ2-CZ 4.26Å; W204-I249 HydrophobicContact CH2-CG2 3.52Å; W204-I249 HydrophobicContact CZ2-CB 4.45Å; W204-I249 HydrophobicContact CZ2-CD1 3.82Å; W204-I249 HydrophobicContact CZ2-CG1 3.9Å; W204-I249 HydrophobicContact CZ2-CG2 3.73Å; W204-V253 HydrophobicContact CH2-CG1 4.38Å; W204-L303 HydrophobicContact CD2-CD2 4.29Å; W204-L303 HydrophobicContact CE3-CD2 4.39Å; W204-L303 HydrophobicContact CH2-CD2 4.5Å; W204-L303 HydrophobicContact CZ2-CD2 4.39Å; W204-L303 HydrophobicContact CZ3-CB 4.4Å; W204-L305 HydrophobicContact CH2-CD2 4.38Å
205S96.5Very high91.2Very high3 Ų321.7 Ų21.72%0.02111%0.108CC..Hα-helixtrans-61.5-41.7178.1-49.70000110.4Y185 V201 D202 V203 C208 I209Y185-S205 WeakPolarHBondContact O-CA 3.48Å; Y185-S205 WeakPolarHBondContact O-CB 3.32Å; Y185-S205 PolarHBondContact O-OG 3.06Å; V201-S205 PolarHBondContact O-N 3.01Å; V201-S205 PolarHBondContact O-OG 3.23Å; D202-S205 CarbonylContact O-C 3.57Å; D202-S205 WeakPolarHBondContact O-CA 3.43Å; D202-S205 WeakPolarHBondContact O-CB 3.21Å; D202-S205 PolarHBondContact O-N 2.85Å; V203-S205 VanDerWaalsContact C-N 3.31Å; V203-S205 PolarHBondContact O-N 2.95Å; S205-C208 WeakPolarHBondContact O-CB 3.33Å; S205-C208 PolarHBondContact O-N 3.2Å; S205-I209 VanDerWaalsContact O-CG1 3.3Å; S205-I209 WeakPolarHBondContact O-CG1 3.23Å; S205-I209 PolarHBondContact O-N 2.77Å
206V98.2Very high92.6Very high1 Ų118.8 Ų18.81%0.00610%0.102CC..Hα-helixtrans-61.7-42.3172.3-178.80000111.6V128 I131 L132 L135 L148 D202 V203 W204 C208 I209 M210 M302V128-V206 HydrophobicContact CG1-CG1 4.38Å; I131-V206 HydrophobicContact CG2-CG1 4.32Å; I131-V206 HydrophobicContact CG2-CG2 3.52Å; L132-V206 HydrophobicContact CD2-CG1 4.19Å; L132-V206 HydrophobicContact CG-CG1 4.35Å; L135-V206 HydrophobicContact CD1-CG2 3.48Å; L135-V206 VanDerWaalsContact CD1-CG2 3.48Å; L148-V206 HydrophobicContact CD1-CG2 3.86Å; D202-V206 WeakPolarHBondContact O-CG2 3.35Å; D202-V206 PolarHBondContact O-N 2.88Å; V203-V206 PolarHBondContact O-N 3.18Å; W204-V206 VanDerWaalsContact C-N 3.3Å; W204-V206 PolarHBondContact O-N 3.32Å; V206-C208 VanDerWaalsContact C-N 3.28Å; V206-C208 PolarHBondContact O-N 2.92Å; V206-I209 CarbonylContact O-C 3.59Å; V206-I209 PolarHBondContact O-N 3.47Å; V206-I209 VanDerWaalsContact O-N 3.14Å; V206-M210 WeakPolarHBondContact O-CB 3.21Å; V206-M210 PolarHBondContact O-N 3.14Å; V206-M302 HydrophobicContact CG1-CE 4.12Å; V206-M302 HydrophobicContact CG1-SD 4.37Å
207G98.3Very high93.8Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-58.5-39.8174.700000112.6V203 W204 A211 L299V203-G207 PolarHBondContact O-N 3.38Å; W204-G207 PolarHBondContact O-N 2.82Å; W204-G207 VanDerWaalsContact O-N 3.12Å; G207-A211 WeakPolarHBondContact O-CB 3.35Å; G207-A211 PolarHBondContact O-N 2.92Å; G207-L299 VanDerWaalsContact O-CD2 3.28Å; G207-L299 WeakPolarHBondContact O-CD2 3.18Å
208C97.3Very high94.6Very high1 Ų123 Ų231%0.00712%0.117CC..Hα-helixtrans-66.1-43.5174-62.70000112Y185 W204 S205 V206 A211 E212Y185-C208 HydrophobicContact CD1-CB 3.76Å; W204-C208 PolarHBondContact NE1-SG 3.49Å; W204-C208 VanDerWaalsContact NE1-SG 3.44Å; W204-C208 PolarHBondContact O-N 2.86Å; W204-C208 PolarHBondContact O-SG 3.13Å; W204-C208 VanDerWaalsContact O-SG 3.32Å; S205-C208 WeakPolarHBondContact O-CB 3.33Å; S205-C208 PolarHBondContact O-N 3.2Å; V206-C208 VanDerWaalsContact C-N 3.28Å; V206-C208 PolarHBondContact O-N 2.92Å; C208-A211 PolarHBondContact O-N 3.22Å; C208-E212 PolarHBondContact O-N 3.05Å; C208-E212 VanDerWaalsContact O-N 3.08Å
209I96.5Very high95Very high0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-63.4-48.2177.1-67.3164.2000110.2L110 I131 L148 P150 Y185 S205 V206 A211 E212 L213L110-I209 HydrophobicContact CD2-CG2 3.76Å; I131-I209 HydrophobicContact CD1-CG2 4.26Å; L148-I209 HydrophobicContact CB-CD1 4.41Å; P150-I209 HydrophobicContact CG-CG1 4.25Å; Y185-I209 HydrophobicContact CD1-CG1 3.98Å; Y185-I209 HydrophobicContact CE1-CG1 4.21Å; S205-I209 VanDerWaalsContact O-CG1 3.3Å; S205-I209 WeakPolarHBondContact O-CG1 3.23Å; S205-I209 PolarHBondContact O-N 2.77Å; V206-I209 CarbonylContact O-C 3.59Å; V206-I209 PolarHBondContact O-N 3.47Å; V206-I209 VanDerWaalsContact O-N 3.14Å; I209-A211 VanDerWaalsContact C-N 3.35Å; I209-A211 PolarHBondContact O-N 3.14Å; I209-E212 CarbonylContact O-C 2.97Å; I209-E212 WeakPolarHBondContact O-CA 3.13Å; I209-E212 WeakPolarHBondContact O-CB 3.48Å; I209-E212 PolarHBondContact O-N 3Å; I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.26Å; I209-L213 VanDerWaalsContact O-CG 3.31Å; I209-L213 WeakPolarHBondContact O-CG 3.24Å; I209-L213 PolarHBondContact O-N 3.06Å
210M97.7Very high95Very high0 Ų019.7 Ų19.70%010%0.101CC..Hα-helixtrans-58.2-45177.8177.1176.7174.400111.8V124 V128 V206 E212 L213 I214 A295 L298 L299 M302 Y321V124-M210 HydrophobicContact CG1-CG 4.44Å; V128-M210 HydrophobicContact CG1-SD 4.22Å; V128-M210 HydrophobicContact CG2-CB 3.85Å; V128-M210 HydrophobicContact CG2-CG 3.84Å; V128-M210 HydrophobicContact CG2-SD 4.22Å; V206-M210 WeakPolarHBondContact O-CB 3.21Å; V206-M210 PolarHBondContact O-N 3.14Å; M210-E212 VanDerWaalsContact C-N 3.27Å; M210-E212 PolarHBondContact O-N 3.24Å; M210-L213 WeakPolarHBondContact O-CB 3.25Å; M210-L213 PolarHBondContact O-N 2.73Å; M210-I214 HydrophobicContact CE-CD1 3.87Å; M210-I214 HydrophobicContact CG-CD1 3.93Å; M210-I214 WeakPolarHBondContact O-CG1 3.14Å; M210-I214 PolarHBondContact O-N 2.82Å; M210-A295 HydrophobicContact CE-CB 3.84Å; M210-L298 HydrophobicContact CE-CB 4.38Å; M210-L298 HydrophobicContact CE-CD2 4.29Å; M210-L298 HydrophobicContact SD-CD2 4.07Å; M210-L298 HydrophobicContact SD-CG 4.36Å; M210-L299 HydrophobicContact CB-CD2 4.01Å; M210-L299 HydrophobicContact CE-CG 4.06Å; M210-L299 HydrophobicContact CG-CD2 3.88Å; M210-L299 HydrophobicContact CG-CG 4.3Å; M210-L299 HydrophobicContact SD-CD2 3.94Å; M210-L299 HydrophobicContact SD-CG 4.03Å; M210-M302 HydrophobicContact SD-SD 4.19Å; M210-Y321 HydrophobicContact CE-CD1 3.71Å; M210-Y321 HydrophobicContact CE-CE1 3.25Å; M210-Y321 HydrophobicContact SD-CE1 4.33Å
211A96.8Very high94.5Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-59.6-39.3174.700000112.4G207 C208 I209 T215 L219 F288 L299G207-A211 WeakPolarHBondContact O-CB 3.35Å; G207-A211 PolarHBondContact O-N 2.92Å; C208-A211 PolarHBondContact O-N 3.22Å; I209-A211 VanDerWaalsContact C-N 3.35Å; I209-A211 PolarHBondContact O-N 3.14Å; A211-T215 WeakPolarHBondContact O-CB 3.37Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 2.84Å; A211-T215 PolarHBondContact O-OG1 3.06Å; A211-L219 HydrophobicContact CB-CB 4.1Å; A211-L219 HydrophobicContact CB-CD1 4.15Å; A211-L219 HydrophobicContact CB-CD2 3.73Å; A211-L219 HydrophobicContact CB-CG 4.21Å; A211-F288 HydrophobicContact CB-CD1 4.39Å; A211-F288 HydrophobicContact CB-CE1 3.55Å; A211-F288 HydrophobicContact CB-CZ 3.95Å; A211-L299 HydrophobicContact CB-CD2 4.13Å
212E95.3Very high93.2Very high18 Ų1822.9 Ų22.98%0.08412%0.123CC..Hα-helixtrans-69.9-38.5176.2-177.2166.2167.900112.4L114 Y185 C208 I209 M210 I214 T215 G216 R217 T218L114-E212 HydrophobicContact CD1-CG 3.86Å; Y185-E212 PolarHBondContact OH-OE2 3.35Å; C208-E212 PolarHBondContact O-N 3.05Å; C208-E212 VanDerWaalsContact O-N 3.08Å; I209-E212 CarbonylContact O-C 2.97Å; I209-E212 WeakPolarHBondContact O-CA 3.13Å; I209-E212 WeakPolarHBondContact O-CB 3.48Å; I209-E212 PolarHBondContact O-N 3Å; M210-E212 VanDerWaalsContact C-N 3.27Å; M210-E212 PolarHBondContact O-N 3.24Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.48Å; E212-T215 PolarHBondContact O-N 3.18Å; E212-G216 VanDerWaalsContact O-CA 3.22Å; E212-G216 WeakPolarHBondContact O-CA 3.48Å; E212-G216 PolarHBondContact O-N 2.96Å; E212-R217 WeakPolarHBondContact CA-O 3.4Å; E212-T218 PolarHBondContact OE1-OG1 2.76Å; E212-T218 VanDerWaalsContact OE2-CA 3.26Å; E212-T218 WeakPolarHBondContact OE2-CA 3.37Å; E212-T218 PolarHBondContact OE2-OG1 2.74Å
213L94.8Very high91.5Very high4 Ų425.7 Ų25.72%0.02114%0.143CC..Hα-helixtrans-59.6-42.2173.6-68.8174.8000112.2L110 L114 L119 V124 L127 V128 I209 M210L110-L213 HydrophobicContact CD1-CD2 3.73Å; L110-L213 HydrophobicContact CD2-CD1 4.48Å; L110-L213 HydrophobicContact CD2-CD2 3.97Å; L110-L213 HydrophobicContact CG-CD2 4.01Å; L114-L213 HydrophobicContact CD1-CD2 4.14Å; L114-L213 HydrophobicContact CD2-CD2 3.79Å; L114-L213 HydrophobicContact CG-CD2 4.12Å; L119-L213 HydrophobicContact CD1-CD2 3.64Å; V124-L213 HydrophobicContact CG1-CB 3.94Å; V124-L213 HydrophobicContact CG1-CD1 4.25Å; V124-L213 HydrophobicContact CG2-CB 3.89Å; L127-L213 HydrophobicContact CB-CD1 4.34Å; L127-L213 HydrophobicContact CD1-CD2 4.32Å; V128-L213 HydrophobicContact CG2-CD1 4.12Å; I209-L213 HydrophobicContact CG2-CD1 4.11Å; I209-L213 HydrophobicContact CG2-CG 4.26Å; I209-L213 VanDerWaalsContact O-CG 3.31Å; I209-L213 WeakPolarHBondContact O-CG 3.24Å; I209-L213 PolarHBondContact O-N 3.06Å; M210-L213 WeakPolarHBondContact O-CB 3.25Å; M210-L213 PolarHBondContact O-N 2.73Å
214I94.6Very high89.3Confident37 Ų3730.7 Ų30.719%0.1917%0.169CC..Hα-helixtrans-71.6-41.9-179.5-70.4167.1000111.6V124 M210 E212 A291 A295 L299V124-I214 HydrophobicContact CG1-CG1 3.98Å; M210-I214 HydrophobicContact CE-CD1 3.87Å; M210-I214 HydrophobicContact CG-CD1 3.93Å; M210-I214 WeakPolarHBondContact O-CG1 3.14Å; M210-I214 PolarHBondContact O-N 2.82Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 3.48Å; I214-A291 HydrophobicContact CD1-CB 4.46Å; I214-A291 HydrophobicContact CG2-CB 3.83Å; I214-A295 HydrophobicContact CD1-CB 4.19Å; I214-L299 HydrophobicContact CD1-CD1 3.95Å
215T92.7Very high86.8Confident42 Ų4240.2 Ų40.226%0.25821%0.206SC..Hα-helixtrans-98.4-13.7-170.562.50000114.1A211 E212 R217 F288A211-T215 WeakPolarHBondContact O-CB 3.37Å; A211-T215 WeakPolarHBondContact O-CG2 3.35Å; A211-T215 PolarHBondContact O-N 2.84Å; A211-T215 PolarHBondContact O-OG1 3.06Å; E212-T215 PolarHBondContact O-N 3.18Å; T215-R217 PolarHBondContact O-N 3.42Å; T215-R217 PolarHBondContact OG1-N 2.98Å; T215-R217 PolarHBondContact OG1-O 2.93Å; T215-R217 VanDerWaalsContact OG1-O 3.12Å; T215-F288 HydrophobicContact CG2-CD1 3.75Å; T215-F288 HydrophobicContact CG2-CE1 4.4Å
216G90.8Very high84.1Confident35 Ų3547.5 Ų47.536%0.36124%0.241SC..SBendtrans64.617.1-169.400000113.6E212E212-G216 VanDerWaalsContact O-CA 3.22Å; E212-G216 WeakPolarHBondContact O-CA 3.48Å; E212-G216 PolarHBondContact O-N 2.96Å
217R90.7Very high81.4Confident196 Ų19649.4 Ų49.474%0.7425%0.254SS*.SBendtrans-137.8135.6-176.1-61.8-179.9-173.9-178.22.6110.4E212 T215 L219E212-R217 WeakPolarHBondContact CA-O 3.4Å; T215-R217 PolarHBondContact O-N 3.42Å; T215-R217 PolarHBondContact OG1-N 2.98Å; T215-R217 PolarHBondContact OG1-O 2.93Å; T215-R217 VanDerWaalsContact OG1-O 3.12Å; R217-L219 PolarHBondContact O-N 3.05Å
218T91.8Very high78.4Confident36 Ų3654 Ų5422%0.22128%0.282CS..  trans-54.6127.2173-53.50000110.8W184 E212 P221W184-T218 HydrophobicContact CB-CG2 4.14Å; W184-T218 HydrophobicContact CD2-CG2 4.22Å; W184-T218 HydrophobicContact CE3-CG2 3.73Å; W184-T218 HydrophobicContact CG-CG2 4.43Å; W184-T218 HydrophobicContact CZ3-CG2 4.45Å; E212-T218 PolarHBondContact OE1-OG1 2.76Å; E212-T218 VanDerWaalsContact OE2-CA 3.26Å; E212-T218 WeakPolarHBondContact OE2-CA 3.37Å; E212-T218 PolarHBondContact OE2-OG1 2.74Å; T218-P221 HydrophobicContact CG2-CB 4.43Å; T218-P221 WeakPolarHBondContact O-CD 3.29Å
219L93.8Very high76.1Confident31 Ų3159.5 Ų59.516%0.16230%0.303CS..SBendtrans-65.1-45.4-174.5-178.860.2000112.4A211 R217 P221 L252 F288 L303A211-L219 HydrophobicContact CB-CB 4.1Å; A211-L219 HydrophobicContact CB-CD1 4.15Å; A211-L219 HydrophobicContact CB-CD2 3.73Å; A211-L219 HydrophobicContact CB-CG 4.21Å; R217-L219 PolarHBondContact O-N 3.05Å; L219-P221 WeakPolarHBondContact O-CD 3.44Å; L219-L252 HydrophobicContact CD1-CD2 3.85Å; L219-L252 HydrophobicContact CD2-CD2 4.03Å; L219-L252 HydrophobicContact CG-CD2 4.19Å; L219-F288 HydrophobicContact CD1-CE1 3.82Å; L219-F288 HydrophobicContact CD1-CZ 3.87Å; L219-L303 HydrophobicContact CD2-CD1 3.73Å; L219-L303 HydrophobicContact CD2-CD2 4.25Å
220F91.1Very high73.5Confident5 Ų562.9 Ų62.92%0.02233%0.326CS..  trans-124.874.9-178.8-54.9-61.9000110.7W184 W204 G222 Q245 R248 I249 L252W184-F220 WeakPolarHBondContact CB-O 3.28Å; W204-F220 AromaticContact CZ2-CE2 3.85Å; W204-F220 HydrophobicContact CZ2-CE2 3.85Å; W204-F220 HydrophobicContact CZ2-CZ 4.26Å; F220-G222 PolarHBondContact O-N 2.78Å; F220-Q245 PolarHBondContact O-OE1 2.73Å; F220-R248 HydrophobicContact CD1-CB 4.09Å; F220-I249 HydrophobicContact CD1-CG1 4.21Å; F220-I249 HydrophobicContact CD2-CG1 4.23Å; F220-I249 HydrophobicContact CE1-CB 4.49Å; F220-I249 HydrophobicContact CE1-CG1 4.09Å; F220-I249 HydrophobicContact CE2-CG1 4.09Å; F220-I249 HydrophobicContact CG-CG1 4.27Å; F220-I249 HydrophobicContact CZ-CG1 4.01Å; F220-L252 HydrophobicContact CE1-CB 3.94Å; F220-L252 HydrophobicContact CE1-CD2 3.67Å; F220-L252 HydrophobicContact CE1-CG 4.46Å; F220-L252 HydrophobicContact CZ-CB 4.38Å; F220-L252 HydrophobicContact CZ-CD2 3.53Å
221P83Confident71Confident63 Ų6366.6 Ų66.641%0.40935%0.352SS..  trans-74.884177.331.8-31.7000108.3T218 L219 R248T218-P221 HydrophobicContact CG2-CB 4.43Å; T218-P221 WeakPolarHBondContact O-CD 3.29Å; L219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-R248 VanDerWaalsContact O-CZ 3.28Å; P221-R248 PolarHBondContact O-NE 3.41Å
222G66.2Low68.9Low8 Ų870.4 Ų70.48%0.08238%0.376CS..  trans-70.8151.8175.900000111.3W184 F220 D224 D244 Q245W184-G222 VanDerWaalsContact CD1-N 3.28Å; W184-G222 PolarHBondContact NE1-O 2.84Å; F220-G222 PolarHBondContact O-N 2.78Å; G222-D224 PolarHBondContact O-N 3.1Å; G222-D224 VanDerWaalsContact O-N 3.1Å; G222-D244 VanDerWaalsContact CA-OD2 3.31Å; G222-D244 WeakPolarHBondContact CA-OD2 3.46Å; G222-Q245 VanDerWaalsContact CA-OE1 3.29Å
223S59.9Low66.6Low59 Ų5977.2 Ų77.241%0.41341%0.412SS..  trans-66.1115.4168.563.50000109.1R225 D244S223-R225 PolarHBondContact O-N 3.17Å; S223-D244 PolarHBondContact N-OD2 3.29Å
224D52.9Low64.6Low105 Ų10580.4 Ų80.456%0.56145%0.446SS*.  trans-63.41.8171.4-132.615.8000112.4G222 M226G222-D224 PolarHBondContact O-N 3.1Å; G222-D224 VanDerWaalsContact O-N 3.1Å; D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 3.2Å
225R43.5Very low62.4Low201 Ų20181.7 Ų81.776%0.75846%0.458SS*.  trans-64.793.1177.4-60.3-165.1-152.6-157.78.8109.5S223 C227S223-R225 PolarHBondContact O-N 3.17Å; R225-C227 PolarHBondContact O-N 3.38Å
226M41.2Very low60.1Low156 Ų15686.9 Ų86.977%0.76848%0.475SS*.THydrogen-bonded Turntrans-17.3113.4151-176.1165.483.800112D224 T228D224-M226 VanDerWaalsContact C-N 3.32Å; D224-M226 PolarHBondContact O-N 3.2Å; M226-T228 VanDerWaalsContact C-N 3.27Å; M226-T228 PolarHBondContact O-N 2.98Å
227C41.3Very low58Low40 Ų4093.6 Ų93.627%0.2749%0.489SS..THydrogen-bonded Turntrans31.658.2145.3-152.40000113.9R225 W229 G239 V241R225-C227 PolarHBondContact O-N 3.38Å; C227-W229 PolarHBondContact O-N 2.88Å; C227-G239 PolarHBondContact SG-O 3.03Å; C227-G239 VanDerWaalsContact SG-O 3.41Å; C227-V241 HydrophobicContact CB-CG2 3.75Å; C227-V241 WeakPolarHBondContact SG-CG2 3.34Å
228T35Very low55.9Low96 Ų9693.6 Ų93.659%0.58949%0.489SS*.  trans-72.4119.1167.619.80000106.5M226 S230M226-T228 VanDerWaalsContact C-N 3.27Å; M226-T228 PolarHBondContact O-N 2.98Å; T228-S230 PolarHBondContact O-N 3.42Å; T228-S230 VanDerWaalsContact O-N 3.11Å
229W48.3Very low53.7Low117 Ų11792.4 Ų92.444%0.44348%0.484SS..  trans-57.8115.5165.9-73.381.6000108.4C227 Y236 R237 R238C227-W229 PolarHBondContact O-N 2.88Å; W229-Y236 HydrophobicContact CB-CD1 3.53Å; W229-Y236 HydrophobicContact CB-CD2 4Å; W229-Y236 HydrophobicContact CB-CE1 3.04Å; W229-Y236 HydrophobicContact CB-CE2 3.58Å; W229-Y236 HydrophobicContact CB-CG 3.96Å; W229-Y236 WeakPolarHBondContact CB-OH 3.39Å; W229-Y236 AromaticContact CD1-CE1 3.78Å; W229-Y236 AromaticContact CD2-CD1 3.12Å; W229-Y236 HydrophobicContact CD2-CD1 3.12Å; W229-Y236 AromaticContact CD2-CE1 3.35Å; W229-Y236 HydrophobicContact CD2-CE1 3.35Å; W229-Y236 AromaticContact CD2-CG 3.94Å; W229-Y236 HydrophobicContact CD2-CG 3.94Å; W229-Y236 AromaticContact CE2-CD1 3.96Å; W229-Y236 VanDerWaalsContact CE3-C 3.48Å; W229-Y236 AromaticContact CE3-CD1 2.91Å; W229-Y236 HydrophobicContact CE3-CD1 2.91Å; W229-Y236 HydrophobicContact CE3-CD2 4.4Å; W229-Y236 AromaticContact CE3-CE1 3.69Å; W229-Y236 HydrophobicContact CE3-CE1 3.69Å; W229-Y236 AromaticContact CE3-CG 3.34Å; W229-Y236 HydrophobicContact CE3-CG 3.34Å; W229-Y236 AromaticContact CG-CD1 3.46Å; W229-Y236 HydrophobicContact CG-CD1 3.46Å; W229-Y236 VanDerWaalsContact CG-CD1 3.46Å; W229-Y236 AromaticContact CG-CE1 3.12Å; W229-Y236 HydrophobicContact CG-CE1 3.12Å; W229-Y236 HydrophobicContact CG-CG 4.26Å; W229-Y236 AromaticContact CG-CZ 3.74Å; W229-Y236 HydrophobicContact CH2-CD1 4.33Å; W229-Y236 AromaticContact CZ3-CD1 3.58Å; W229-Y236 HydrophobicContact CZ3-CD1 3.58Å; W229-Y236 HydrophobicContact CZ3-CG 4Å; W229-Y236 VanDerWaalsContact CZ3-O 3.31Å; W229-Y236 WeakPolarHBondContact CZ3-O 3.46Å; W229-R237 VanDerWaalsContact CE3-O 3.22Å; W229-R238 VanDerWaalsContact CE3-N 3.32Å
230S41.9Very low51.6Low71 Ų7195.7 Ų95.750%0.49751%0.505SS..EExtended strand (participates in β ladder)trans-101.3128.9172.6-67.20000108.1T228 V232T228-S230 PolarHBondContact O-N 3.42Å; T228-S230 VanDerWaalsContact O-N 3.11Å; S230-V232 PolarHBondContact O-N 3.34Å
231S46.5Very low49.6Very low78 Ų7897.9 Ų97.955%0.54552%0.519SS..EExtended strand (participates in β ladder)trans-69.2113.2170.6-174.90000108.2
232V51.3Low48.6Very low81 Ų8196.5 Ų96.549%0.49151%0.508SS..EExtended strand (participates in β ladder)trans-109.1116.5167.6-178.70000106S230 G234 S235S230-V232 PolarHBondContact O-N 3.34Å; V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.3Å; V232-S235 PolarHBondContact N-O 3.38Å; V232-S235 PolarHBondContact O-N 2.7Å; V232-S235 VanDerWaalsContact O-N 3.12Å
233N46.6Very low48.7Very low160 Ų16099.4 Ų99.486%0.85652%0.52SS*.THydrogen-bonded Turntrans51.546.3-179.8-60.2-24000113.9S235N233-S235 PolarHBondContact O-N 2.91Å; N233-S235 VanDerWaalsContact O-N 3.13Å
234G53.9Low49.5Very low71 Ų7199.2 Ų99.273%0.73252%0.515SS*.THydrogen-bonded Turntrans74-0.1176.600000115V232V232-G234 VanDerWaalsContact C-N 3.33Å; V232-G234 PolarHBondContact O-N 3.3Å
235S47.5Very low50.9Low64 Ų6494.6 Ų94.645%0.44849%0.49SS..EExtended strand (participates in β ladder)trans-101.3119.7174.1-52.20000109.5V232 N233 R237V232-S235 PolarHBondContact N-O 3.38Å; V232-S235 PolarHBondContact O-N 2.7Å; V232-S235 VanDerWaalsContact O-N 3.12Å; N233-S235 PolarHBondContact O-N 2.91Å; N233-S235 VanDerWaalsContact O-N 3.13Å; S235-R237 PolarHBondContact O-N 2.83Å; S235-R237 VanDerWaalsContact O-N 3.17Å
236Y45Very low52.8Low152 Ų15285.3 Ų85.360%0.59646%0.456SS*.EExtended strand (participates in β ladder)trans-66.3114.4166.1-133.4-133.8000106.5W229W229-Y236 HydrophobicContact CB-CD1 3.53Å; W229-Y236 HydrophobicContact CB-CD2 4Å; W229-Y236 HydrophobicContact CB-CE1 3.04Å; W229-Y236 HydrophobicContact CB-CE2 3.58Å; W229-Y236 HydrophobicContact CB-CG 3.96Å; W229-Y236 WeakPolarHBondContact CB-OH 3.39Å; W229-Y236 AromaticContact CD1-CE1 3.78Å; W229-Y236 AromaticContact CD2-CD1 3.12Å; W229-Y236 HydrophobicContact CD2-CD1 3.12Å; W229-Y236 AromaticContact CD2-CE1 3.35Å; W229-Y236 HydrophobicContact CD2-CE1 3.35Å; W229-Y236 AromaticContact CD2-CG 3.94Å; W229-Y236 HydrophobicContact CD2-CG 3.94Å; W229-Y236 AromaticContact CE2-CD1 3.96Å; W229-Y236 VanDerWaalsContact CE3-C 3.48Å; W229-Y236 AromaticContact CE3-CD1 2.91Å; W229-Y236 HydrophobicContact CE3-CD1 2.91Å; W229-Y236 HydrophobicContact CE3-CD2 4.4Å; W229-Y236 AromaticContact CE3-CE1 3.69Å; W229-Y236 HydrophobicContact CE3-CE1 3.69Å; W229-Y236 AromaticContact CE3-CG 3.34Å; W229-Y236 HydrophobicContact CE3-CG 3.34Å; W229-Y236 AromaticContact CG-CD1 3.46Å; W229-Y236 HydrophobicContact CG-CD1 3.46Å; W229-Y236 VanDerWaalsContact CG-CD1 3.46Å; W229-Y236 AromaticContact CG-CE1 3.12Å; W229-Y236 HydrophobicContact CG-CE1 3.12Å; W229-Y236 HydrophobicContact CG-CG 4.26Å; W229-Y236 AromaticContact CG-CZ 3.74Å; W229-Y236 HydrophobicContact CH2-CD1 4.33Å; W229-Y236 AromaticContact CZ3-CD1 3.58Å; W229-Y236 HydrophobicContact CZ3-CD1 3.58Å; W229-Y236 HydrophobicContact CZ3-CG 4Å; W229-Y236 VanDerWaalsContact CZ3-O 3.31Å; W229-Y236 WeakPolarHBondContact CZ3-O 3.46Å
237R47.6Very low54.9Low175 Ų17579.6 Ų79.666%0.6643%0.429SS*.EExtended strand (participates in β ladder)trans-105.8137.4168.5-69.2-169.1179.5-152.4-0.1107.9W229 S235 G239W229-R237 VanDerWaalsContact CE3-O 3.22Å; S235-R237 PolarHBondContact O-N 2.83Å; S235-R237 VanDerWaalsContact O-N 3.17Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 2.76Å
238R45.1Very low57.2Low197 Ų19781.7 Ų81.774%0.74343%0.431SS*.  trans-53.3104.9164.2179.2-177.7-89.1176.5-6.3104.8W229 V240W229-R238 VanDerWaalsContact CE3-N 3.32Å; R238-V240 PolarHBondContact O-N 2.91Å
239G45.9Very low59.8Low11 Ų1177.1 Ų77.111%0.11340%0.403CS..  trans-58115.1-171.800000107.1C227 R237 V241C227-G239 PolarHBondContact SG-O 3.03Å; C227-G239 VanDerWaalsContact SG-O 3.41Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 2.76Å; G239-V241 WeakPolarHBondContact O-CA 3.24Å; G239-V241 VanDerWaalsContact O-CG2 3.25Å; G239-V241 WeakPolarHBondContact O-CG2 3.2Å; G239-V241 PolarHBondContact O-N 3Å
240V50Low61.9Low99 Ų9971.8 Ų71.860%0.638%0.384SS*.  trans-51.1118.4174.8178.40000105.9R238 D242 I243R238-V240 PolarHBondContact O-N 2.91Å; V240-D242 PolarHBondContact O-N 2.88Å; V240-I243 HydrophobicContact CB-CD1 4.15Å; V240-I243 HydrophobicContact CB-CG1 4.24Å; V240-I243 VanDerWaalsContact O-CG1 3.3Å; V240-I243 WeakPolarHBondContact O-CG1 3.46Å
241V50.1Low64.2Low52 Ų5273 Ų7332%0.31538%0.382SS..THydrogen-bonded Turntrans-73.43.5-150.8172.30000113.8R183 C227 G239R183-V241 PolarHBondContact NH1-O 3.42Å; C227-V241 HydrophobicContact CB-CG2 3.75Å; C227-V241 WeakPolarHBondContact SG-CG2 3.34Å; G239-V241 WeakPolarHBondContact O-CA 3.24Å; G239-V241 VanDerWaalsContact O-CG2 3.25Å; G239-V241 WeakPolarHBondContact O-CG2 3.2Å; G239-V241 PolarHBondContact O-N 3Å
242D61.4Low66.5Low34 Ų3469.8 Ų69.818%0.18236%0.358CS..THydrogen-bonded Turntrans-131.911.6-166.3-61.5-58.3000113.6R183 M191 V240 Q245 L246R183-D242 WeakPolarHBondContact CD-OD1 3.22Å; R183-D242 IonicContact CZ-OD1 3.79Å; R183-D242 IonicContact NE-OD1 3.66Å; R183-D242 PolarHBondContact NE-OD1 2.78Å; M191-D242 HydrophobicContact CB-CB 4Å; M191-D242 HydrophobicContact CE-CB 3.78Å; M191-D242 WeakPolarHBondContact CE-O 3.27Å; V240-D242 PolarHBondContact O-N 2.88Å; D242-Q245 PolarHBondContact O-N 3.27Å; D242-L246 WeakPolarHBondContact O-CB 3.43Å; D242-L246 PolarHBondContact O-N 3.29Å
243I68.1Low68.6Low68 Ų6867 Ų6735%0.34934%0.342SS..Hα-helixtrans-57.6-54.2-176.9-70.6172.4000111.9V240 Q245 L246 T247 Y272V240-I243 HydrophobicContact CB-CD1 4.15Å; V240-I243 HydrophobicContact CB-CG1 4.24Å; V240-I243 VanDerWaalsContact O-CG1 3.3Å; V240-I243 WeakPolarHBondContact O-CG1 3.46Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 2.98Å; I243-L246 PolarHBondContact O-N 3.48Å; I243-T247 WeakPolarHBondContact O-CB 3.49Å; I243-T247 PolarHBondContact O-N 2.8Å; I243-T247 PolarHBondContact O-OG1 3.41Å; I243-Y272 WeakPolarHBondContact CA-OH 3.42Å; I243-Y272 VanDerWaalsContact CB-OH 3.31Å; I243-Y272 WeakPolarHBondContact CB-OH 3.44Å; I243-Y272 HydrophobicContact CD1-CE2 3.99Å; I243-Y272 HydrophobicContact CG1-CE1 4.08Å; I243-Y272 HydrophobicContact CG1-CE2 3.76Å; I243-Y272 VanDerWaalsContact CG1-CZ 3.5Å; I243-Y272 WeakPolarHBondContact CG1-OH 3.29Å; I243-Y272 HydrophobicContact CG2-CE2 4.23Å; I243-Y272 WeakPolarHBondContact CG2-OH 3.01Å
244D76.5Confident70.8Confident56 Ų5659.4 Ų59.430%0.29930%0.301SS..Hα-helixtrans-59.6-45-176.7175.869.8000111.4G222 S223 T247 R248G222-D244 VanDerWaalsContact CA-OD2 3.31Å; G222-D244 WeakPolarHBondContact CA-OD2 3.46Å; S223-D244 PolarHBondContact N-OD2 3.29Å; D244-T247 PolarHBondContact O-N 3.1Å; D244-R248 VanDerWaalsContact O-CG 3.29Å; D244-R248 WeakPolarHBondContact O-CG 3.43Å; D244-R248 PolarHBondContact O-N 2.98Å; D244-R248 IonicContact OD1-CZ 3Å; D244-R248 IonicContact OD1-NE 2.67Å; D244-R248 PolarHBondContact OD1-NE 3.4Å; D244-R248 IonicContact OD1-NH2 3.17Å; D244-R248 PolarHBondContact OD1-NH2 2.76Å; D244-R248 IonicContact OD2-CZ 3.28Å; D244-R248 IonicContact OD2-NE 2.97Å; D244-R248 PolarHBondContact OD2-NE 3.47Å; D244-R248 IonicContact OD2-NH2 3.52Å
245Q83Confident72.5Confident8 Ų858 Ų584%0.03728%0.28CS..Hα-helixtrans-65.3-45179.8-174.171.416.500111W184 M191 F220 G222 D242 I243 T247 R248 I249W184-Q245 PolarHBondContact O-NE2 3.35Å; M191-Q245 HydrophobicContact CE-CB 3.35Å; M191-Q245 HydrophobicContact CE-CG 3.3Å; M191-Q245 HydrophobicContact SD-CB 4.39Å; M191-Q245 HydrophobicContact SD-CG 3.69Å; F220-Q245 PolarHBondContact O-OE1 2.73Å; G222-Q245 VanDerWaalsContact CA-OE1 3.29Å; D242-Q245 PolarHBondContact O-N 3.27Å; I243-Q245 VanDerWaalsContact C-N 3.33Å; I243-Q245 PolarHBondContact O-N 2.98Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; Q245-T247 PolarHBondContact O-N 3.21Å; Q245-R248 PolarHBondContact O-N 2.84Å; Q245-I249 HydrophobicContact CG-CD1 4.37Å; Q245-I249 VanDerWaalsContact O-CG1 3.3Å; Q245-I249 WeakPolarHBondContact O-CG1 3.29Å; Q245-I249 PolarHBondContact O-N 3.39Å
246L83.2Confident74.5Confident6 Ų655.9 Ų55.93%0.03126%0.264CS..Hα-helixtrans-65.9-38.9178.2-172.266.7000111.5P188 M191 L192 D242 I243 R248 I249 I250 Y272 I273P188-L246 HydrophobicContact CB-CD1 3.94Å; M191-L246 HydrophobicContact CE-CB 4.07Å; L192-L246 HydrophobicContact CD2-CD2 3.75Å; L192-L246 HydrophobicContact CG-CD2 4.43Å; D242-L246 WeakPolarHBondContact O-CB 3.43Å; D242-L246 PolarHBondContact O-N 3.29Å; I243-L246 PolarHBondContact O-N 3.48Å; L246-R248 VanDerWaalsContact C-N 3.35Å; L246-R248 PolarHBondContact O-N 2.97Å; L246-I249 PolarHBondContact O-N 3.06Å; L246-I250 HydrophobicContact CD1-CD1 4.41Å; L246-I250 HydrophobicContact CD2-CD1 4.37Å; L246-I250 HydrophobicContact CG-CD1 3.93Å; L246-I250 WeakPolarHBondContact O-CB 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.4Å; L246-Y272 HydrophobicContact CD2-CD1 4.13Å; L246-Y272 HydrophobicContact CD2-CE1 3.77Å; L246-I273 HydrophobicContact CD2-CD1 4.4Å; L246-I273 HydrophobicContact CD2-CG1 3.87Å
247T84.6Confident76.5Confident36 Ų3651.7 Ų51.722%0.22126%0.257CS..Hα-helixtrans-61.2-43.2175.2-62.80000111.1I243 D244 Q245 I249 I250 Q251I243-T247 WeakPolarHBondContact O-CB 3.49Å; I243-T247 PolarHBondContact O-N 2.8Å; I243-T247 PolarHBondContact O-OG1 3.41Å; D244-T247 PolarHBondContact O-N 3.1Å; Q245-T247 VanDerWaalsContact C-N 3.34Å; Q245-T247 PolarHBondContact O-N 3.21Å; T247-I249 VanDerWaalsContact C-N 3.35Å; T247-I249 PolarHBondContact O-N 2.94Å; T247-I250 PolarHBondContact O-N 3.45Å; T247-Q251 HydrophobicContact CG2-CG 4.43Å; T247-Q251 WeakPolarHBondContact O-CB 3.43Å; T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.99Å
248R88.7Confident78.4Confident83 Ų8347.7 Ų47.731%0.31325%0.246SC..Hα-helixtrans-62.3-42.1175.6-72.1169.6-172.3-74.6-11.9112.4F220 P221 D244 Q245 L246 Q251 L252F220-R248 HydrophobicContact CD1-CB 4.09Å; P221-R248 VanDerWaalsContact O-CZ 3.28Å; P221-R248 PolarHBondContact O-NE 3.41Å; D244-R248 VanDerWaalsContact O-CG 3.29Å; D244-R248 WeakPolarHBondContact O-CG 3.43Å; D244-R248 PolarHBondContact O-N 2.98Å; D244-R248 IonicContact OD1-CZ 3Å; D244-R248 IonicContact OD1-NE 2.67Å; D244-R248 PolarHBondContact OD1-NE 3.4Å; D244-R248 IonicContact OD1-NH2 3.17Å; D244-R248 PolarHBondContact OD1-NH2 2.76Å; D244-R248 IonicContact OD2-CZ 3.28Å; D244-R248 IonicContact OD2-NE 2.97Å; D244-R248 PolarHBondContact OD2-NE 3.47Å; D244-R248 IonicContact OD2-NH2 3.52Å; Q245-R248 PolarHBondContact O-N 2.84Å; L246-R248 VanDerWaalsContact C-N 3.35Å; L246-R248 PolarHBondContact O-N 2.97Å; R248-Q251 PolarHBondContact O-N 3.4Å; R248-L252 PolarHBondContact O-N 2.63Å
249I91.6Very high80.4Confident0 Ų042.8 Ų42.80%024%0.235CC..Hα-helixtrans-58.9-54.8175.9-69.6170.7000109.5P188 M191 W204 F220 Q245 L246 T247 Q251 L252 V253 L305P188-I249 HydrophobicContact CB-CD1 4.35Å; M191-I249 HydrophobicContact CE-CD1 4.43Å; M191-I249 HydrophobicContact SD-CD1 3.93Å; W204-I249 HydrophobicContact CH2-CG2 3.52Å; W204-I249 HydrophobicContact CZ2-CB 4.45Å; W204-I249 HydrophobicContact CZ2-CD1 3.82Å; W204-I249 HydrophobicContact CZ2-CG1 3.9Å; W204-I249 HydrophobicContact CZ2-CG2 3.73Å; F220-I249 HydrophobicContact CD1-CG1 4.21Å; F220-I249 HydrophobicContact CD2-CG1 4.23Å; F220-I249 HydrophobicContact CE1-CB 4.49Å; F220-I249 HydrophobicContact CE1-CG1 4.09Å; F220-I249 HydrophobicContact CE2-CG1 4.09Å; F220-I249 HydrophobicContact CG-CG1 4.27Å; F220-I249 HydrophobicContact CZ-CG1 4.01Å; Q245-I249 HydrophobicContact CG-CD1 4.37Å; Q245-I249 VanDerWaalsContact O-CG1 3.3Å; Q245-I249 WeakPolarHBondContact O-CG1 3.29Å; Q245-I249 PolarHBondContact O-N 3.39Å; L246-I249 PolarHBondContact O-N 3.06Å; T247-I249 VanDerWaalsContact C-N 3.35Å; T247-I249 PolarHBondContact O-N 2.94Å; I249-Q251 VanDerWaalsContact C-N 3.25Å; I249-Q251 PolarHBondContact O-N 3.27Å; I249-L252 PolarHBondContact O-N 2.99Å; I249-V253 HydrophobicContact CG2-CG2 3.97Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 3.16Å; I249-L305 HydrophobicContact CG2-CD2 3.71Å
250I90.7Very high82.3Confident6 Ų642.7 Ų42.73%0.03123%0.231CC..Hα-helixtrans-60.1-34.5179.8-71.3169.4000112L246 T247 L252 G254 I273 L276L246-I250 HydrophobicContact CD1-CD1 4.41Å; L246-I250 HydrophobicContact CD2-CD1 4.37Å; L246-I250 HydrophobicContact CG-CD1 3.93Å; L246-I250 WeakPolarHBondContact O-CB 3.4Å; L246-I250 WeakPolarHBondContact O-CG1 3.42Å; L246-I250 PolarHBondContact O-N 3.4Å; T247-I250 PolarHBondContact O-N 3.45Å; I250-L252 PolarHBondContact O-N 3.44Å; I250-G254 CarbonylContact O-C 3.39Å; I250-G254 WeakPolarHBondContact O-CA 3.32Å; I250-G254 PolarHBondContact O-N 3.45Å; I250-I273 HydrophobicContact CD1-CG2 4.23Å; I250-L276 HydrophobicContact CD1-CD1 3.51Å
251Q91.2Very high84Confident97 Ų9738.2 Ų38.245%0.45320%0.204SC..Hα-helixtrans-66.2-21.2175.1-78.5174.4-5.300114.1T247 R248 I249 K282T247-Q251 HydrophobicContact CG2-CG 4.43Å; T247-Q251 WeakPolarHBondContact O-CB 3.43Å; T247-Q251 WeakPolarHBondContact O-CG 3.34Å; T247-Q251 PolarHBondContact O-N 2.99Å; R248-Q251 PolarHBondContact O-N 3.4Å; I249-Q251 VanDerWaalsContact C-N 3.25Å; I249-Q251 PolarHBondContact O-N 3.27Å; Q251-K282 VanDerWaalsContact O-CE 3.28Å; Q251-K282 WeakPolarHBondContact O-CE 3.48Å; Q251-K282 WeakPolarHBondContact O-CG 3.41Å
252L94.2Very high85.6Confident10 Ų1043 Ų435%0.05222%0.216CC..Hα-helixtrans-93.6-54.8175.3-17967.7000111.2L219 F220 R248 I249 I250 K282 F284 V287 L303L219-L252 HydrophobicContact CD1-CD2 3.85Å; L219-L252 HydrophobicContact CD2-CD2 4.03Å; L219-L252 HydrophobicContact CG-CD2 4.19Å; F220-L252 HydrophobicContact CE1-CB 3.94Å; F220-L252 HydrophobicContact CE1-CD2 3.67Å; F220-L252 HydrophobicContact CE1-CG 4.46Å; F220-L252 HydrophobicContact CZ-CB 4.38Å; F220-L252 HydrophobicContact CZ-CD2 3.53Å; R248-L252 PolarHBondContact O-N 2.63Å; I249-L252 PolarHBondContact O-N 2.99Å; I250-L252 PolarHBondContact O-N 3.44Å; L252-K282 HydrophobicContact CD1-CB 4.34Å; L252-K282 HydrophobicContact CD1-CD 4.31Å; L252-K282 PolarHBondContact O-N 2.69Å; L252-F284 HydrophobicContact CD1-CE1 4.14Å; L252-F284 HydrophobicContact CD2-CZ 4.47Å; L252-F284 HydrophobicContact CG-CE1 4Å; L252-F284 HydrophobicContact CG-CZ 4.4Å; L252-V287 HydrophobicContact CD1-CB 4.3Å; L252-V287 HydrophobicContact CD1-CG1 3.84Å; L252-V287 HydrophobicContact CD1-CG2 3.78Å; L252-L303 HydrophobicContact CD2-CD1 4.24Å
253V94.8Very high86.6Confident23 Ų2344.9 Ų44.914%0.13922%0.223CC..Hα-helixtrans-91.9-6.4-168.9-50.50000113.4W204 I249 P281 F284 L303 L305W204-V253 HydrophobicContact CH2-CG1 4.38Å; I249-V253 HydrophobicContact CG2-CG2 3.97Å; I249-V253 WeakPolarHBondContact O-CG2 3.45Å; I249-V253 PolarHBondContact O-N 3.16Å; V253-P281 WeakPolarHBondContact O-CB 3.49Å; V253-P281 WeakPolarHBondContact O-CG 3.49Å; V253-F284 HydrophobicContact CG1-CZ 4.48Å; V253-L303 HydrophobicContact CG1-CB 4.27Å; V253-L303 WeakPolarHBondContact CG1-O 3.24Å; V253-L305 HydrophobicContact CG2-CD1 3.8Å; V253-L305 HydrophobicContact CG2-CD2 3.6Å; V253-L305 HydrophobicContact CG2-CG 3.51Å
254G93.5Very high87.2Confident0 Ų041.8 Ų41.80%021%0.207CC..  trans89.2168.4-177.600000113.4I250 T279I250-G254 CarbonylContact O-C 3.39Å; I250-G254 WeakPolarHBondContact O-CA 3.32Å; I250-G254 PolarHBondContact O-N 3.45Å; G254-T279 CarbonylContact C-O 3.53Å; G254-T279 VanDerWaalsContact CA-O 3.29Å; G254-T279 WeakPolarHBondContact CA-O 3.45Å
255S90.6Very high87.2Confident41 Ų4144 Ų4429%0.28722%0.216SC..PPolyproline II helixtrans-66.3138.1174.4-65.90000110.7K278 T279S255-K278 WeakPolarHBondContact OG-CA 3.44Å; S255-T279 PolarHBondContact N-O 2.85Å; S255-T279 PolarHBondContact OG-N 3.08Å
256P87.9Confident86.8Confident20 Ų2045.7 Ų45.713%0.1323%0.228CC..PPolyproline II helixtrans-62.2152.4177.518.9-26.8000112.6F260 L261 I273 L305P256-F260 HydrophobicContact CB-CB 4.39Å; P256-F260 HydrophobicContact CB-CD1 3.36Å; P256-F260 HydrophobicContact CB-CE1 4.01Å; P256-F260 HydrophobicContact CB-CG 4.24Å; P256-F260 HydrophobicContact CG-CD1 4.29Å; P256-L261 HydrophobicContact CB-CD2 4.33Å; P256-L261 HydrophobicContact CB-CG 4.34Å; P256-L261 HydrophobicContact CG-CD2 3.82Å; P256-L261 HydrophobicContact CG-CG 4.19Å; P256-I273 HydrophobicContact CG-CG2 3.42Å; P256-I273 VanDerWaalsContact CG-CG2 3.42Å; P256-L305 HydrophobicContact CB-CD1 3.84Å; P256-L305 HydrophobicContact CG-CD1 4.31Å
257S87.5Confident86.7Confident64 Ų6449.4 Ų49.445%0.44825%0.248SC..PPolyproline II helixtrans-68.1156171.667.80000111.5D259 F260 L261S257-D259 PolarHBondContact O-N 2.91Å; S257-F260 PolarHBondContact O-N 3.3Å; S257-F260 VanDerWaalsContact O-N 3.17Å; S257-F260 WeakPolarHBondContact OG-CB 3.45Å; S257-F260 PolarHBondContact OG-N 3.28Å; S257-F260 VanDerWaalsContact OG-N 3.16Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.21Å
258E88Confident86.2Confident90 Ų9054.4 Ų54.442%0.42127%0.269SS..Hα-helixtrans-64.5-27.1173.8-79.4-64.8149.300112.6L261 R262 R274E258-L261 WeakPolarHBondContact OE1-CD1 3.5Å; E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.3Å; E258-R262 PolarHBondContact O-NE 2.89Å; E258-R274 IonicContact OE1-NE 3.73Å; E258-R274 PolarHBondContact OE1-NE 3.35Å; E258-R274 IonicContact OE1-NH2 2.84Å; E258-R274 IonicContact OE2-CZ 2.73Å; E258-R274 IonicContact OE2-NE 3.48Å; E258-R274 IonicContact OE2-NH2 3.85Å; E258-R274 PolarHBondContact OE2-NH2 3.14Å
259D86.7Confident85.6Confident95 Ų9551 Ų5151%0.50826%0.258SS..Hα-helixtrans-64.3-44.8172.2-67.4-48.5000111.1S257 R262S257-D259 PolarHBondContact O-N 2.91Å; D259-R262 PolarHBondContact O-N 3.07Å; D259-R262 IonicContact OD1-CZ 2.88Å; D259-R262 IonicContact OD1-NH1 2.78Å; D259-R262 PolarHBondContact OD1-NH1 3.49Å; D259-R262 IonicContact OD1-NH2 3.61Å; D259-R262 PolarHBondContact OD1-NH2 3.14Å
260F85.3Confident85.2Confident8 Ų853.9 Ų53.94%0.03527%0.269CS..Hα-helixtrans-65.2-44.9175176.2-101.8000111.8W194 P256 S257 R262 K263 I264 L305 D306W194-F260 HydrophobicContact CE3-CZ 4.47Å; W194-F260 HydrophobicContact CH2-CD2 4.29Å; W194-F260 AromaticContact CH2-CE2 3.63Å; W194-F260 HydrophobicContact CH2-CE2 3.63Å; W194-F260 HydrophobicContact CH2-CZ 4.25Å; W194-F260 HydrophobicContact CZ3-CD2 4.41Å; W194-F260 AromaticContact CZ3-CE2 3.37Å; W194-F260 HydrophobicContact CZ3-CE2 3.37Å; W194-F260 AromaticContact CZ3-CZ 3.58Å; W194-F260 HydrophobicContact CZ3-CZ 3.58Å; P256-F260 HydrophobicContact CB-CB 4.39Å; P256-F260 HydrophobicContact CB-CD1 3.36Å; P256-F260 HydrophobicContact CB-CE1 4.01Å; P256-F260 HydrophobicContact CB-CG 4.24Å; P256-F260 HydrophobicContact CG-CD1 4.29Å; S257-F260 PolarHBondContact O-N 3.3Å; S257-F260 VanDerWaalsContact O-N 3.17Å; S257-F260 WeakPolarHBondContact OG-CB 3.45Å; S257-F260 PolarHBondContact OG-N 3.28Å; S257-F260 VanDerWaalsContact OG-N 3.16Å; F260-R262 PolarHBondContact O-N 2.87Å; F260-K263 WeakPolarHBondContact O-CB 3.2Å; F260-K263 PolarHBondContact O-N 3Å; F260-I264 HydrophobicContact CD1-CD1 4.34Å; F260-I264 HydrophobicContact CE1-CD1 3.97Å; F260-I264 HydrophobicContact CE1-CG1 4.41Å; F260-L305 HydrophobicContact CE1-CB 4.32Å; F260-L305 VanDerWaalsContact CE2-O 3.29Å; F260-L305 WeakPolarHBondContact CE2-O 3Å; F260-L305 HydrophobicContact CZ-CB 4.26Å; F260-L305 WeakPolarHBondContact CZ-O 3.37Å; F260-D306 HydrophobicContact CD2-CB 3.63Å; F260-D306 VanDerWaalsContact CE2-CA 3.48Å; F260-D306 HydrophobicContact CE2-CB 4.03Å
261L85.5Confident84.9Confident5 Ų558 Ų583%0.02629%0.291CS..Hα-helixtrans-58.2-33.1177.2-71.5177.5000112.4P256 S257 E258 K263 I264 R270 I273 R274P256-L261 HydrophobicContact CB-CD2 4.33Å; P256-L261 HydrophobicContact CB-CG 4.34Å; P256-L261 HydrophobicContact CG-CD2 3.82Å; P256-L261 HydrophobicContact CG-CG 4.19Å; S257-L261 WeakPolarHBondContact O-CG 3.48Å; S257-L261 PolarHBondContact O-N 3.21Å; E258-L261 WeakPolarHBondContact OE1-CD1 3.5Å; L261-K263 VanDerWaalsContact C-N 3.26Å; L261-K263 PolarHBondContact O-N 3.15Å; L261-I264 HydrophobicContact CD2-CD1 3.83Å; L261-I264 PolarHBondContact O-N 3Å; L261-R270 WeakPolarHBondContact O-CD 3.15Å; L261-R270 WeakPolarHBondContact O-CG 3.36Å; L261-I273 HydrophobicContact CD2-CB 3.93Å; L261-I273 HydrophobicContact CD2-CD1 3.9Å; L261-I273 HydrophobicContact CD2-CG2 3.7Å; L261-R274 HydrophobicContact CD1-CG 3.94Å
262R85.3Confident84.3Confident152 Ų15255.5 Ų55.557%0.57428%0.278SS*.Hα-helixtrans-65.7-26.5175-83.8-177.4-102.1127.2-2.6113.5E258 D259 F260 I264E258-R262 WeakPolarHBondContact O-CG 3.39Å; E258-R262 PolarHBondContact O-N 3.3Å; E258-R262 PolarHBondContact O-NE 2.89Å; D259-R262 PolarHBondContact O-N 3.07Å; D259-R262 IonicContact OD1-CZ 2.88Å; D259-R262 IonicContact OD1-NH1 2.78Å; D259-R262 PolarHBondContact OD1-NH1 3.49Å; D259-R262 IonicContact OD1-NH2 3.61Å; D259-R262 PolarHBondContact OD1-NH2 3.14Å; F260-R262 PolarHBondContact O-N 2.87Å; R262-I264 VanDerWaalsContact C-N 3.33Å
263K82.6Confident83.7Confident74 Ų7455.5 Ų55.532%0.32228%0.278SS..Hα-helixtrans-74.6-23176.3-58.4-176.5175-176.40113W194 F260 L261 Q265 D306 D308W194-K263 HydrophobicContact CH2-CB 3.83Å; W194-K263 HydrophobicContact CH2-CD 4.33Å; W194-K263 HydrophobicContact CZ2-CB 3.54Å; W194-K263 PolarHBondContact NE1-O 3.41Å; F260-K263 WeakPolarHBondContact O-CB 3.2Å; F260-K263 PolarHBondContact O-N 3Å; L261-K263 VanDerWaalsContact C-N 3.26Å; L261-K263 PolarHBondContact O-N 3.15Å; K263-Q265 PolarHBondContact O-N 2.71Å; K263-D306 VanDerWaalsContact NZ-CG 3.29Å; K263-D306 IonicContact NZ-OD1 3.98Å; K263-D306 PolarHBondContact NZ-OD1 3.14Å; K263-D306 IonicContact NZ-OD2 2.78Å; K263-D306 PolarHBondContact NZ-OD2 2.93Å; K263-D308 IonicContact NZ-OD2 2.58Å; K263-D308 PolarHBondContact NZ-OD2 3.29Å
264I79.9Confident83.3Confident4 Ų459.8 Ų59.82%0.02129%0.292CS..  trans-71.4122.3177.9-57.1175.5000109.4L192 F260 L261 R262 A269 R270 I273L192-I264 HydrophobicContact CD1-CD1 4.24Å; F260-I264 HydrophobicContact CD1-CD1 4.34Å; F260-I264 HydrophobicContact CE1-CD1 3.97Å; F260-I264 HydrophobicContact CE1-CG1 4.41Å; L261-I264 HydrophobicContact CD2-CD1 3.83Å; L261-I264 PolarHBondContact O-N 3Å; R262-I264 VanDerWaalsContact C-N 3.33Å; I264-A269 HydrophobicContact CG2-CB 3.78Å; I264-R270 HydrophobicContact CB-CG 3.78Å; I264-R270 HydrophobicContact CG2-CG 3.89Å; I264-R270 VanDerWaalsContact O-CD 3.31Å; I264-R270 WeakPolarHBondContact O-CD 3.42Å; I264-I273 HydrophobicContact CD1-CD1 3.5Å; I264-I273 VanDerWaalsContact CD1-CD1 3.5Å
265Q76.6Confident82.8Confident103 Ų10363.9 Ų63.948%0.48132%0.32SS..  trans-75.2-37-177.1-70-179.2-10.300113.8H196 K263 D267H196-Q265 PolarHBondContact CD2-NE2 2.78Å; H196-Q265 PolarHBondContact NE2-NE2 2.58Å; K263-Q265 PolarHBondContact O-N 2.71Å; Q265-D267 PolarHBondContact O-N 3.46Å
266S75.4Confident82.5Confident43 Ų4363.3 Ų63.330%0.30131%0.314SS..  trans-75.4120.3-178.8165.40000111.5E268 A269 R270S266-E268 VanDerWaalsContact C-N 3.25Å; S266-E268 PolarHBondContact O-N 3.4Å; S266-E268 PolarHBondContact OG-N 3.06Å; S266-E268 PolarHBondContact OG-OE2 2.82Å; S266-A269 PolarHBondContact O-N 3.49Å; S266-A269 PolarHBondContact OG-N 3.01Å; S266-A269 VanDerWaalsContact OG-N 3.09Å; S266-R270 WeakPolarHBondContact O-CG 3.41Å; S266-R270 PolarHBondContact O-N 3.24Å
267D79.3Confident82.4Confident84 Ų8467.1 Ų67.145%0.44934%0.339SS..Hα-helixtrans-58.7-39.4172-79.2-33.5000112.1Q265 R270 N271Q265-D267 PolarHBondContact O-N 3.46Å; D267-R270 PolarHBondContact O-N 3.01Å; D267-R270 IonicContact OD1-CZ 3.56Å; D267-R270 IonicContact OD1-NE 3.98Å; D267-R270 PolarHBondContact OD1-NE 3.17Å; D267-R270 IonicContact OD1-NH2 3.36Å; D267-R270 PolarHBondContact OD1-NH2 2.92Å; D267-N271 VanDerWaalsContact O-CB 3.29Å; D267-N271 WeakPolarHBondContact O-CB 3.49Å; D267-N271 PolarHBondContact O-N 3.48Å; D267-N271 PolarHBondContact O-ND2 3.19Å; D267-N271 VanDerWaalsContact O-ND2 3.11Å
268E75.4Confident82.4Confident141 Ų14172.7 Ų72.766%0.65936%0.355SS*.Hα-helixtrans-61.9-45.8177.8-59.177.2-168.700111S266 Y272S266-E268 VanDerWaalsContact C-N 3.25Å; S266-E268 PolarHBondContact O-N 3.4Å; S266-E268 PolarHBondContact OG-N 3.06Å; S266-E268 PolarHBondContact OG-OE2 2.82Å; E268-Y272 VanDerWaalsContact O-CB 3.22Å; E268-Y272 WeakPolarHBondContact O-CB 3.4Å; E268-Y272 PolarHBondContact O-N 2.86Å
269A76.6Confident82.6Confident11 Ų1170.4 Ų70.49%0.09135%0.347CS..Hα-helixtrans-62-46.7176.400000111.7L192 I264 S266 Y272 I273L192-A269 HydrophobicContact CD2-CB 4.05Å; I264-A269 HydrophobicContact CG2-CB 3.78Å; S266-A269 PolarHBondContact O-N 3.49Å; S266-A269 PolarHBondContact OG-N 3.01Å; S266-A269 VanDerWaalsContact OG-N 3.09Å; A269-Y272 PolarHBondContact O-N 3.12Å; A269-I273 VanDerWaalsContact O-CG1 3.29Å; A269-I273 WeakPolarHBondContact O-CG1 3.44Å; A269-I273 PolarHBondContact O-N 3.25Å
270R83.3Confident82.9Confident60 Ų6072.6 Ų72.623%0.22635%0.354CS..Hα-helixtrans-59.7-49177.4-68.5-169.5-62.7-170.93.9112.1L261 I264 S266 D267 Y272 I273 R274L261-R270 WeakPolarHBondContact O-CD 3.15Å; L261-R270 WeakPolarHBondContact O-CG 3.36Å; I264-R270 HydrophobicContact CB-CG 3.78Å; I264-R270 HydrophobicContact CG2-CG 3.89Å; I264-R270 VanDerWaalsContact O-CD 3.31Å; I264-R270 WeakPolarHBondContact O-CD 3.42Å; S266-R270 WeakPolarHBondContact O-CG 3.41Å; S266-R270 PolarHBondContact O-N 3.24Å; D267-R270 PolarHBondContact O-N 3.01Å; D267-R270 IonicContact OD1-CZ 3.56Å; D267-R270 IonicContact OD1-NE 3.98Å; D267-R270 PolarHBondContact OD1-NE 3.17Å; D267-R270 IonicContact OD1-NH2 3.36Å; D267-R270 PolarHBondContact OD1-NH2 2.92Å; R270-Y272 VanDerWaalsContact C-N 3.32Å; R270-Y272 PolarHBondContact O-N 3.48Å; R270-I273 PolarHBondContact O-N 3.2Å; R270-R274 WeakPolarHBondContact O-CB 3.21Å; R270-R274 WeakPolarHBondContact O-CG 3.37Å; R270-R274 PolarHBondContact O-N 2.99Å
271N83.2Confident83.3Confident93 Ų9376 Ų7650%0.49738%0.377SS..Hα-helixtrans-66.4-37.2-178.8-70.4-28000111.6D267 R274 S275D267-N271 VanDerWaalsContact O-CB 3.29Å; D267-N271 WeakPolarHBondContact O-CB 3.49Å; D267-N271 PolarHBondContact O-N 3.48Å; D267-N271 PolarHBondContact O-ND2 3.19Å; D267-N271 VanDerWaalsContact O-ND2 3.11Å; N271-R274 PolarHBondContact O-N 2.76Å; N271-S275 WeakPolarHBondContact O-CB 3.26Å; N271-S275 PolarHBondContact O-N 2.89Å
272Y78.3Confident83.8Confident44 Ų4481.2 Ų81.217%0.17340%0.399CS..Hα-helixtrans-61.6-50.3173.2172.6-108.9000111.4I243 L246 E268 A269 R270 R274 S275 L276I243-Y272 WeakPolarHBondContact CA-OH 3.42Å; I243-Y272 VanDerWaalsContact CB-OH 3.31Å; I243-Y272 WeakPolarHBondContact CB-OH 3.44Å; I243-Y272 HydrophobicContact CD1-CE2 3.99Å; I243-Y272 HydrophobicContact CG1-CE1 4.08Å; I243-Y272 HydrophobicContact CG1-CE2 3.76Å; I243-Y272 VanDerWaalsContact CG1-CZ 3.5Å; I243-Y272 WeakPolarHBondContact CG1-OH 3.29Å; I243-Y272 HydrophobicContact CG2-CE2 4.23Å; I243-Y272 WeakPolarHBondContact CG2-OH 3.01Å; L246-Y272 HydrophobicContact CD2-CD1 4.13Å; L246-Y272 HydrophobicContact CD2-CE1 3.77Å; E268-Y272 VanDerWaalsContact O-CB 3.22Å; E268-Y272 WeakPolarHBondContact O-CB 3.4Å; E268-Y272 PolarHBondContact O-N 2.86Å; A269-Y272 PolarHBondContact O-N 3.12Å; R270-Y272 VanDerWaalsContact C-N 3.32Å; R270-Y272 PolarHBondContact O-N 3.48Å; Y272-R274 VanDerWaalsContact C-N 3.31Å; Y272-R274 PolarHBondContact O-N 2.59Å; Y272-S275 WeakPolarHBondContact O-CB 2.91Å; Y272-S275 PolarHBondContact O-N 3.1Å; Y272-S275 PolarHBondContact O-OG 3.29Å; Y272-L276 HydrophobicContact CE1-CD1 4.12Å; Y272-L276 HydrophobicContact CE2-CD2 4.21Å; Y272-L276 PolarHBondContact O-N 2.66Å
273I81.7Confident84.2Confident11 Ų1176.8 Ų76.86%0.05639%0.387CS..Hα-helixtrans-61.7-41.3179.1-63.8162.8000111.1L192 L246 I250 P256 L261 I264 A269 R270 S275 L276L192-I273 HydrophobicContact CD1-CD1 3.83Å; L192-I273 HydrophobicContact CD2-CD1 4.4Å; L246-I273 HydrophobicContact CD2-CD1 4.4Å; L246-I273 HydrophobicContact CD2-CG1 3.87Å; I250-I273 HydrophobicContact CD1-CG2 4.23Å; P256-I273 HydrophobicContact CG-CG2 3.42Å; P256-I273 VanDerWaalsContact CG-CG2 3.42Å; L261-I273 HydrophobicContact CD2-CB 3.93Å; L261-I273 HydrophobicContact CD2-CD1 3.9Å; L261-I273 HydrophobicContact CD2-CG2 3.7Å; I264-I273 HydrophobicContact CD1-CD1 3.5Å; I264-I273 VanDerWaalsContact CD1-CD1 3.5Å; A269-I273 VanDerWaalsContact O-CG1 3.29Å; A269-I273 WeakPolarHBondContact O-CG1 3.44Å; A269-I273 PolarHBondContact O-N 3.25Å; R270-I273 PolarHBondContact O-N 3.2Å; I273-S275 PolarHBondContact O-N 2.92Å; I273-L276 WeakPolarHBondContact O-CB 3.37Å; I273-L276 PolarHBondContact O-N 3.49Å; I273-L276 VanDerWaalsContact O-N 3.13Å
274R85.8Confident84.9Confident112 Ų11273.8 Ų73.842%0.42337%0.374SS..Hα-helixtrans-64-26.3174.8-74.7-178.5179137.3-0.5113.8E258 L261 R270 N271 Y272 L276E258-R274 IonicContact OE1-NE 3.73Å; E258-R274 PolarHBondContact OE1-NE 3.35Å; E258-R274 IonicContact OE1-NH2 2.84Å; E258-R274 IonicContact OE2-CZ 2.73Å; E258-R274 IonicContact OE2-NE 3.48Å; E258-R274 IonicContact OE2-NH2 3.85Å; E258-R274 PolarHBondContact OE2-NH2 3.14Å; L261-R274 HydrophobicContact CD1-CG 3.94Å; R270-R274 WeakPolarHBondContact O-CB 3.21Å; R270-R274 WeakPolarHBondContact O-CG 3.37Å; R270-R274 PolarHBondContact O-N 2.99Å; N271-R274 PolarHBondContact O-N 2.76Å; Y272-R274 VanDerWaalsContact C-N 3.31Å; Y272-R274 PolarHBondContact O-N 2.59Å; R274-L276 VanDerWaalsContact C-N 3.29Å
275S84.8Confident85.6Confident86 Ų8678.8 Ų78.860%0.60139%0.393SS*.Hα-helixtrans-76.6-16.8176.378.20000113.3N271 Y272 I273N271-S275 WeakPolarHBondContact O-CB 3.26Å; N271-S275 PolarHBondContact O-N 2.89Å; Y272-S275 WeakPolarHBondContact O-CB 2.91Å; Y272-S275 PolarHBondContact O-N 3.1Å; Y272-S275 PolarHBondContact O-OG 3.29Å; I273-S275 PolarHBondContact O-N 2.92Å
276L83.3Confident86.4Confident30 Ų3081.1 Ų81.116%0.15740%0.404CS..SBendtrans-72.5147.8176.6-64.3175.4000110.7I250 Y272 I273 R274 K278I250-L276 HydrophobicContact CD1-CD1 3.51Å; Y272-L276 HydrophobicContact CE1-CD1 4.12Å; Y272-L276 HydrophobicContact CE2-CD2 4.21Å; Y272-L276 PolarHBondContact O-N 2.66Å; I273-L276 WeakPolarHBondContact O-CB 3.37Å; I273-L276 PolarHBondContact O-N 3.49Å; I273-L276 VanDerWaalsContact O-N 3.13Å; R274-L276 VanDerWaalsContact C-N 3.29Å; L276-K278 PolarHBondContact O-N 3.14Å
277P85.3Confident87.3Confident99 Ų9981.2 Ų81.264%0.64340%0.403SS*.PPolyproline II helixtrans-56.7132173.8-23.533.6000111.3T279P277-T279 PolarHBondContact O-N 3.18Å; P277-T279 PolarHBondContact O-OG1 3.37Å
278K89Confident88.1Confident182 Ų18277.3 Ų77.379%0.79138%0.381SS*.PPolyproline II helixtrans-60.4123174.4-167.6173.5-179.1-179.30109.1S255 L276S255-K278 WeakPolarHBondContact OG-CA 3.44Å; L276-K278 PolarHBondContact O-N 3.14Å
279T92Very high88.8Confident41 Ų4175.9 Ų75.925%0.25238%0.382SS..  trans-125.8128.9-173.4-55.70000109G254 S255 P277G254-T279 CarbonylContact C-O 3.53Å; G254-T279 VanDerWaalsContact CA-O 3.29Å; G254-T279 WeakPolarHBondContact CA-O 3.45Å; S255-T279 PolarHBondContact N-O 2.85Å; S255-T279 PolarHBondContact OG-N 3.08Å; P277-T279 PolarHBondContact O-N 3.18Å; P277-T279 PolarHBondContact O-OG1 3.37Å
280E93.2Very high89.4Confident142 Ų14279.5 Ų79.566%0.66442%0.421SS*.PPolyproline II helixtrans-77146.4173.3-66.1-60.5144.500110.3K282E280-K282 PolarHBondContact O-N 2.95Å
281P93.8Very high89.9Confident79 Ų7977.4 Ų77.451%0.51342%0.416SS..PPolyproline II helixtrans-57.2138.4175.1-19.329.4000111.3V253V253-P281 WeakPolarHBondContact O-CB 3.49Å; V253-P281 WeakPolarHBondContact O-CG 3.49Å
282K94.6Very high90.6Very high114 Ų11474.9 Ų74.950%0.49641%0.406SS..PPolyproline II helixtrans-71.7149.1173.1-72.9-173.7176.7179.50110.6Q251 L252 E280 F284 V287Q251-K282 VanDerWaalsContact O-CE 3.28Å; Q251-K282 WeakPolarHBondContact O-CE 3.48Å; Q251-K282 WeakPolarHBondContact O-CG 3.41Å; L252-K282 HydrophobicContact CD1-CB 4.34Å; L252-K282 HydrophobicContact CD1-CD 4.31Å; L252-K282 PolarHBondContact O-N 2.69Å; E280-K282 PolarHBondContact O-N 2.95Å; K282-F284 WeakPolarHBondContact O-CD1 3.49Å; K282-F284 PolarHBondContact O-N 2.83Å; K282-F284 VanDerWaalsContact O-N 3.16Å; K282-V287 HydrophobicContact CB-CG2 3.89Å; K282-V287 HydrophobicContact CD-CG2 4.01Å
283D94.8Very high91.5Very high60 Ų6077.6 Ų77.632%0.32142%0.42SS..  trans-71.3111.7167.6-1754.7000109.7R285 Q286 V287 R300D283-R285 PolarHBondContact O-N 2.86Å; D283-R285 VanDerWaalsContact O-N 3.1Å; D283-R285 PolarHBondContact OD1-N 3.03Å; D283-R285 IonicContact OD1-NH1 3.9Å; D283-Q286 HydrophobicContact CB-CG 4.13Å; D283-Q286 WeakPolarHBondContact O-CB 3.36Å; D283-Q286 PolarHBondContact O-N 3.36Å; D283-V287 PolarHBondContact O-N 2.74Å; D283-R300 IonicContact OD1-NH2 3.65Å; D283-R300 PolarHBondContact OD1-NH2 3.25Å
284F96.4Very high92.2Very high10 Ų1080.8 Ų80.84%0.04444%0.438CS..Hα-helixtrans-57.6-24.7179.3-8126.5000113L252 V253 K282 Q286 V287 F288 I296 L299 R300 L303L252-F284 HydrophobicContact CD1-CE1 4.14Å; L252-F284 HydrophobicContact CD2-CZ 4.47Å; L252-F284 HydrophobicContact CG-CE1 4Å; L252-F284 HydrophobicContact CG-CZ 4.4Å; V253-F284 HydrophobicContact CG1-CZ 4.48Å; K282-F284 WeakPolarHBondContact O-CD1 3.49Å; K282-F284 PolarHBondContact O-N 2.83Å; K282-F284 VanDerWaalsContact O-N 3.16Å; F284-Q286 VanDerWaalsContact C-N 3.26Å; F284-Q286 PolarHBondContact O-N 2.92Å; F284-V287 PolarHBondContact O-N 2.88Å; F284-F288 HydrophobicContact CB-CD2 3.87Å; F284-F288 HydrophobicContact CB-CE2 4.11Å; F284-F288 HydrophobicContact CD1-CE2 4.32Å; F284-F288 HydrophobicContact CD2-CD2 4Å; F284-F288 AromaticContact CD2-CE2 3.52Å; F284-F288 HydrophobicContact CD2-CE2 3.52Å; F284-F288 AromaticContact CE2-CE2 3.94Å; F284-F288 HydrophobicContact CE2-CE2 3.94Å; F284-F288 HydrophobicContact CG-CD2 4.03Å; F284-F288 AromaticContact CG-CE2 3.73Å; F284-F288 HydrophobicContact CG-CE2 3.73Å; F284-F288 WeakPolarHBondContact O-CD2 3.27Å; F284-F288 PolarHBondContact O-N 2.8Å; F284-I296 HydrophobicContact CB-CG2 3.75Å; F284-L299 HydrophobicContact CD2-CB 4.09Å; F284-L299 HydrophobicContact CE2-CB 4.15Å; F284-R300 HydrophobicContact CB-CG 4.34Å; F284-R300 HydrophobicContact CD2-CB 4.35Å; F284-R300 HydrophobicContact CD2-CG 3.4Å; F284-R300 VanDerWaalsContact CD2-CG 3.4Å; F284-R300 HydrophobicContact CE2-CB 4.36Å; F284-R300 HydrophobicContact CE2-CG 3.79Å; F284-R300 HydrophobicContact CG-CG 3.9Å; F284-L303 HydrophobicContact CE2-CB 4.3Å; F284-L303 HydrophobicContact CE2-CD1 3.93Å; F284-L303 HydrophobicContact CZ-CB 4.19Å; F284-L303 HydrophobicContact CZ-CD1 4.06Å
285R95.2Very high92.8Very high110 Ų11075.5 Ų75.542%0.41542%0.418SS..Hα-helixtrans-63.4-31.7172.3-64.9178.9-178.191.33.1113.3D283 E293 I296 R300D283-R285 PolarHBondContact O-N 2.86Å; D283-R285 VanDerWaalsContact O-N 3.1Å; D283-R285 PolarHBondContact OD1-N 3.03Å; D283-R285 IonicContact OD1-NH1 3.9Å; R285-E293 WeakPolarHBondContact CD-OE1 3.4Å; R285-E293 IonicContact CZ-OE1 3.34Å; R285-E293 IonicContact CZ-OE2 3.5Å; R285-E293 VanDerWaalsContact NE-CD 3.33Å; R285-E293 IonicContact NE-OE1 3.38Å; R285-E293 PolarHBondContact NE-OE1 2.76Å; R285-E293 IonicContact NE-OE2 2.7Å; R285-E293 PolarHBondContact NE-OE2 2.98Å; R285-E293 IonicContact NH2-OE2 3.3Å; R285-E293 PolarHBondContact NH2-OE2 3.44Å; R285-I296 HydrophobicContact CB-CD1 4.34Å; R285-I296 HydrophobicContact CG-CD1 3.81Å; R285-I296 HydrophobicContact CG-CG2 4.41Å; R285-R300 VanDerWaalsContact NH1-NH2 3.1Å
286Q94Very high93.5Very high151 Ų15171.6 Ų71.671%0.70639%0.39SS*.Hα-helixtrans-84.6-23.5177.5-59.5-179.913.900112.1D283 F284 T289D283-Q286 HydrophobicContact CB-CG 4.13Å; D283-Q286 WeakPolarHBondContact O-CB 3.36Å; D283-Q286 PolarHBondContact O-N 3.36Å; F284-Q286 VanDerWaalsContact C-N 3.26Å; F284-Q286 PolarHBondContact O-N 2.92Å; Q286-T289 WeakPolarHBondContact O-CG2 3.34Å
287V93.7Very high94.2Very high46 Ų4672.6 Ų72.628%0.27940%0.396SS..Hα-helixtrans-84.7-46.5179.1-178.80000110.9L252 K282 D283 F284 T289L252-V287 HydrophobicContact CD1-CB 4.3Å; L252-V287 HydrophobicContact CD1-CG1 3.84Å; L252-V287 HydrophobicContact CD1-CG2 3.78Å; K282-V287 HydrophobicContact CB-CG2 3.89Å; K282-V287 HydrophobicContact CD-CG2 4.01Å; D283-V287 PolarHBondContact O-N 2.74Å; F284-V287 PolarHBondContact O-N 2.88Å; V287-T289 PolarHBondContact O-N 2.83Å
288F94.9Very high94.8Very high1 Ų167.9 Ų67.90%0.00437%0.365CS..SBendtrans-103.259.3-177.7-52.6-61.1000110.2A211 T215 L219 F284 G290 A291 L299 L303A211-F288 HydrophobicContact CB-CD1 4.39Å; A211-F288 HydrophobicContact CB-CE1 3.55Å; A211-F288 HydrophobicContact CB-CZ 3.95Å; T215-F288 HydrophobicContact CG2-CD1 3.75Å; T215-F288 HydrophobicContact CG2-CE1 4.4Å; L219-F288 HydrophobicContact CD1-CE1 3.82Å; L219-F288 HydrophobicContact CD1-CZ 3.87Å; F284-F288 HydrophobicContact CB-CD2 3.87Å; F284-F288 HydrophobicContact CB-CE2 4.11Å; F284-F288 HydrophobicContact CD1-CE2 4.32Å; F284-F288 HydrophobicContact CD2-CD2 4Å; F284-F288 AromaticContact CD2-CE2 3.52Å; F284-F288 HydrophobicContact CD2-CE2 3.52Å; F284-F288 AromaticContact CE2-CE2 3.94Å; F284-F288 HydrophobicContact CE2-CE2 3.94Å; F284-F288 HydrophobicContact CG-CD2 4.03Å; F284-F288 AromaticContact CG-CE2 3.73Å; F284-F288 HydrophobicContact CG-CE2 3.73Å; F284-F288 WeakPolarHBondContact O-CD2 3.27Å; F284-F288 PolarHBondContact O-N 2.8Å; F288-G290 PolarHBondContact O-N 3.18Å; F288-A291 HydrophobicContact CB-CB 4.02Å; F288-A291 VanDerWaalsContact O-CB 3.28Å; F288-A291 WeakPolarHBondContact O-CB 3.49Å; F288-A291 PolarHBondContact O-N 2.69Å; F288-A291 VanDerWaalsContact O-N 3.13Å; F288-L299 HydrophobicContact CD1-CD1 4.23Å; F288-L299 HydrophobicContact CD2-CD1 3.67Å; F288-L299 HydrophobicContact CE1-CD1 4.35Å; F288-L299 HydrophobicContact CE2-CB 4.49Å; F288-L299 HydrophobicContact CE2-CD1 3.79Å; F288-L299 HydrophobicContact CG-CD1 3.91Å; F288-L299 HydrophobicContact CZ-CD1 4.13Å; F288-L303 HydrophobicContact CZ-CD1 4.43Å
289T90.6Very high95.3Very high111 Ų11159.2 Ų59.268%0.68133%0.327SS*.THydrogen-bonded Turntrans-59.9125.5-177.656.10000111Q286 V287Q286-T289 WeakPolarHBondContact O-CG2 3.34Å; V287-T289 PolarHBondContact O-N 2.83Å
290G88.9Confident95.5Very high87 Ų8761 Ų6190%0.89733%0.329SS*.THydrogen-bonded Turntrans94-9.7-179.500000114.7F288F288-G290 PolarHBondContact O-N 3.18Å
291A95.3Very high95.8Very high16 Ų1660 Ų6013%0.13232%0.32CS..  trans-69.8147.9172.300000111.2I214 F288 A295 I296I214-A291 HydrophobicContact CD1-CB 4.46Å; I214-A291 HydrophobicContact CG2-CB 3.83Å; F288-A291 HydrophobicContact CB-CB 4.02Å; F288-A291 VanDerWaalsContact O-CB 3.28Å; F288-A291 WeakPolarHBondContact O-CB 3.49Å; F288-A291 PolarHBondContact O-N 2.69Å; F288-A291 VanDerWaalsContact O-N 3.13Å; A291-A295 HydrophobicContact CB-CB 4.18Å; A291-I296 HydrophobicContact CB-CD1 4.26Å; A291-I296 HydrophobicContact CB-CG1 3.93Å
292S96.1Very high96Very high41 Ų4156.2 Ų56.229%0.28730%0.295SS..  trans-66155.4173.468.20000111.6N294 A295 I296S292-N294 PolarHBondContact O-N 3.31Å; S292-A295 WeakPolarHBondContact O-CB 3.41Å; S292-A295 PolarHBondContact O-N 3.47Å; S292-A295 WeakPolarHBondContact OG-CB 3.32Å; S292-A295 PolarHBondContact OG-N 2.98Å; S292-I296 WeakPolarHBondContact O-CG1 3.26Å; S292-I296 PolarHBondContact O-N 2.79Å
293E97.3Very high96.1Very high100 Ų10051 Ų5147%0.46727%0.273SS..Hα-helixtrans-59.4-34.2177.2-73.5-66.813700112R285 I296 D297R285-E293 WeakPolarHBondContact CD-OE1 3.4Å; R285-E293 IonicContact CZ-OE1 3.34Å; R285-E293 IonicContact CZ-OE2 3.5Å; R285-E293 VanDerWaalsContact NE-CD 3.33Å; R285-E293 IonicContact NE-OE1 3.38Å; R285-E293 PolarHBondContact NE-OE1 2.76Å; R285-E293 IonicContact NE-OE2 2.7Å; R285-E293 PolarHBondContact NE-OE2 2.98Å; R285-E293 IonicContact NH2-OE2 3.3Å; R285-E293 PolarHBondContact NH2-OE2 3.44Å; E293-I296 PolarHBondContact O-N 3.48Å; E293-D297 PolarHBondContact O-N 2.85Å
294N98Very high96.2Very high79 Ų7950 Ų5042%0.42227%0.269SS..Hα-helixtrans-68.1-39.7175-73.1-14.6000111.8S292 I296 D297 L298 H319 Y321S292-N294 PolarHBondContact O-N 3.31Å; N294-I296 VanDerWaalsContact C-N 3.31Å; N294-I296 PolarHBondContact O-N 2.94Å; N294-D297 PolarHBondContact O-N 2.99Å; N294-L298 PolarHBondContact O-N 3.41Å; N294-H319 PolarHBondContact O-CE1 2.92Å; N294-Y321 HydrophobicContact CB-CD2 3.93Å; N294-Y321 HydrophobicContact CB-CG 4.38Å
295A98Very high95.9Very high0 Ų050.5 Ų50.50%027%0.272CS..Hα-helixtrans-61.2-44174.200000111.1M210 I214 A291 S292 L298 L299 Y321M210-A295 HydrophobicContact CE-CB 3.84Å; I214-A295 HydrophobicContact CD1-CB 4.19Å; A291-A295 HydrophobicContact CB-CB 4.18Å; S292-A295 WeakPolarHBondContact O-CB 3.41Å; S292-A295 PolarHBondContact O-N 3.47Å; S292-A295 WeakPolarHBondContact OG-CB 3.32Å; S292-A295 PolarHBondContact OG-N 2.98Å; A295-L298 PolarHBondContact O-N 2.97Å; A295-L299 WeakPolarHBondContact O-CG 3.14Å; A295-L299 PolarHBondContact O-N 3.41Å; A295-Y321 HydrophobicContact CB-CD2 3.81Å; A295-Y321 HydrophobicContact CB-CE1 4.4Å; A295-Y321 HydrophobicContact CB-CE2 3.39Å; A295-Y321 HydrophobicContact CB-CG 4.46Å; A295-Y321 VanDerWaalsContact N-CD2 3.3Å
296I98.2Very high95.7Very high4 Ų446.4 Ų46.42%0.02126%0.258CS..Hα-helixtrans-64.3-42.4179.1-68.7170.1000111.1F284 R285 A291 S292 E293 N294 L299 R300F284-I296 HydrophobicContact CB-CG2 3.75Å; R285-I296 HydrophobicContact CB-CD1 4.34Å; R285-I296 HydrophobicContact CG-CD1 3.81Å; R285-I296 HydrophobicContact CG-CG2 4.41Å; A291-I296 HydrophobicContact CB-CD1 4.26Å; A291-I296 HydrophobicContact CB-CG1 3.93Å; S292-I296 WeakPolarHBondContact O-CG1 3.26Å; S292-I296 PolarHBondContact O-N 2.79Å; E293-I296 PolarHBondContact O-N 3.48Å; N294-I296 VanDerWaalsContact C-N 3.31Å; N294-I296 PolarHBondContact O-N 2.94Å; I296-L299 PolarHBondContact O-N 3.26Å; I296-R300 WeakPolarHBondContact O-CG 3.21Å; I296-R300 PolarHBondContact O-N 3.49Å
297D98.4Very high95.5Very high52 Ų5239.3 Ų39.328%0.27823%0.225SC..Hα-helixtrans-63.1-43.7176.4-162.262.6000111.5E293 N294 L299 R300 R301 H319E293-D297 PolarHBondContact O-N 2.85Å; N294-D297 PolarHBondContact O-N 2.99Å; D297-L299 PolarHBondContact O-N 2.9Å; D297-R300 WeakPolarHBondContact O-CB 3.48Å; D297-R300 PolarHBondContact O-N 2.78Å; D297-R301 WeakPolarHBondContact O-CG 3.46Å; D297-R301 PolarHBondContact O-N 3.39Å; D297-R301 VanDerWaalsContact O-N 3.16Å; D297-R301 IonicContact OD2-CZ 2.69Å; D297-R301 IonicContact OD2-NE 3.02Å; D297-R301 PolarHBondContact OD2-NE 3.23Å; D297-R301 IonicContact OD2-NH2 3.72Å; D297-R301 PolarHBondContact OD2-NH2 3.15Å; D297-H319 IonicContact OD2-CE1 2.71Å; D297-H319 IonicContact OD2-NE2 3.73Å; D297-H319 PolarHBondContact OD2-NE2 2.95Å; D297-H319 VanDerWaalsContact OD2-NE2 3.15Å
298L98.7Very high95.3Very high0 Ų041.7 Ų41.70%024%0.236CC..Hα-helixtrans-62-46.1177.4-172.755.2000111.5M210 N294 A295 R300 R301 M302 I311 A316 H319 Y321 L322M210-L298 HydrophobicContact CE-CB 4.38Å; M210-L298 HydrophobicContact CE-CD2 4.29Å; M210-L298 HydrophobicContact SD-CD2 4.07Å; M210-L298 HydrophobicContact SD-CG 4.36Å; N294-L298 PolarHBondContact O-N 3.41Å; A295-L298 PolarHBondContact O-N 2.97Å; L298-R300 VanDerWaalsContact C-N 3.3Å; L298-R300 PolarHBondContact O-N 3.04Å; L298-R301 PolarHBondContact O-N 3.41Å; L298-M302 HydrophobicContact CD1-CE 3.83Å; L298-M302 HydrophobicContact CD1-CG 4.39Å; L298-M302 HydrophobicContact CD2-CE 3.77Å; L298-M302 HydrophobicContact CG-CE 3.65Å; L298-M302 HydrophobicContact CG-CG 4.42Å; L298-M302 HydrophobicContact CG-SD 4.08Å; L298-M302 WeakPolarHBondContact O-CG 3.29Å; L298-M302 PolarHBondContact O-N 2.61Å; L298-I311 HydrophobicContact CD1-CD1 4.28Å; L298-A316 HydrophobicContact CD1-CB 4.23Å; L298-H319 HydrophobicContact CD1-CB 3.93Å; L298-Y321 HydrophobicContact CD2-CD1 3.68Å; L298-Y321 HydrophobicContact CD2-CG 4.37Å; L298-L322 HydrophobicContact CD2-CD1 4.29Å; L298-L322 HydrophobicContact CD2-CG 4.3Å
299L98.4Very high95.3Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-58.5-39.9175.6-78.4172.4000112.3G207 M210 A211 I214 F284 F288 A295 I296 D297 R301 M302 L303G207-L299 VanDerWaalsContact O-CD2 3.28Å; G207-L299 WeakPolarHBondContact O-CD2 3.18Å; M210-L299 HydrophobicContact CB-CD2 4.01Å; M210-L299 HydrophobicContact CE-CG 4.06Å; M210-L299 HydrophobicContact CG-CD2 3.88Å; M210-L299 HydrophobicContact CG-CG 4.3Å; M210-L299 HydrophobicContact SD-CD2 3.94Å; M210-L299 HydrophobicContact SD-CG 4.03Å; A211-L299 HydrophobicContact CB-CD2 4.13Å; I214-L299 HydrophobicContact CD1-CD1 3.95Å; F284-L299 HydrophobicContact CD2-CB 4.09Å; F284-L299 HydrophobicContact CE2-CB 4.15Å; F288-L299 HydrophobicContact CD1-CD1 4.23Å; F288-L299 HydrophobicContact CD2-CD1 3.67Å; F288-L299 HydrophobicContact CE1-CD1 4.35Å; F288-L299 HydrophobicContact CE2-CB 4.49Å; F288-L299 HydrophobicContact CE2-CD1 3.79Å; F288-L299 HydrophobicContact CG-CD1 3.91Å; F288-L299 HydrophobicContact CZ-CD1 4.13Å; A295-L299 WeakPolarHBondContact O-CG 3.14Å; A295-L299 PolarHBondContact O-N 3.41Å; I296-L299 PolarHBondContact O-N 3.26Å; D297-L299 PolarHBondContact O-N 2.9Å; L299-R301 PolarHBondContact O-N 3.48Å; L299-M302 PolarHBondContact O-N 3.12Å; L299-L303 HydrophobicContact CD2-CD1 4.39Å; L299-L303 WeakPolarHBondContact O-CB 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.43Å; L299-L303 PolarHBondContact O-N 3.43Å
300R97.6Very high95.5Very high77 Ų7743.4 Ų43.429%0.29124%0.236SC..Hα-helixtrans-62.5-32.4176.1-77.2179.6178.81352.1112.6D283 F284 R285 I296 D297 L298 V304D283-R300 IonicContact OD1-NH2 3.65Å; D283-R300 PolarHBondContact OD1-NH2 3.25Å; F284-R300 HydrophobicContact CB-CG 4.34Å; F284-R300 HydrophobicContact CD2-CB 4.35Å; F284-R300 HydrophobicContact CD2-CG 3.4Å; F284-R300 VanDerWaalsContact CD2-CG 3.4Å; F284-R300 HydrophobicContact CE2-CB 4.36Å; F284-R300 HydrophobicContact CE2-CG 3.79Å; F284-R300 HydrophobicContact CG-CG 3.9Å; R285-R300 VanDerWaalsContact NH1-NH2 3.1Å; I296-R300 WeakPolarHBondContact O-CG 3.21Å; I296-R300 PolarHBondContact O-N 3.49Å; D297-R300 WeakPolarHBondContact O-CB 3.48Å; D297-R300 PolarHBondContact O-N 2.78Å; L298-R300 VanDerWaalsContact C-N 3.3Å; L298-R300 PolarHBondContact O-N 3.04Å; R300-V304 WeakPolarHBondContact O-CG2 3.49Å
301R98.3Very high96Very high122 Ų12240.1 Ų40.146%0.4620%0.198SC..Hα-helixtrans-82.4-27.6178.1-64.3176.7-170.2-119.53.3113.2D297 L298 L299 V304 I311D297-R301 WeakPolarHBondContact O-CG 3.46Å; D297-R301 PolarHBondContact O-N 3.39Å; D297-R301 VanDerWaalsContact O-N 3.16Å; D297-R301 IonicContact OD2-CZ 2.69Å; D297-R301 IonicContact OD2-NE 3.02Å; D297-R301 PolarHBondContact OD2-NE 3.23Å; D297-R301 IonicContact OD2-NH2 3.72Å; D297-R301 PolarHBondContact OD2-NH2 3.15Å; L298-R301 PolarHBondContact O-N 3.41Å; L299-R301 PolarHBondContact O-N 3.48Å; R301-V304 WeakPolarHBondContact O-CG2 3.44Å; R301-I311 HydrophobicContact CB-CB 4.02Å; R301-I311 HydrophobicContact CB-CD1 4.27Å; R301-I311 HydrophobicContact CB-CG2 3.96Å; R301-I311 WeakPolarHBondContact O-CG2 3.41Å; R301-I311 PolarHBondContact O-N 3Å; R301-I311 VanDerWaalsContact O-N 3.16Å
302M98.4Very high96.1Very high0 Ų041.4 Ų41.40%020%0.202CC..Hα-helixtrans-80.1-39.5175.1-68.3178.616800112.6V128 L132 V203 V206 M210 L298 L299 V304 R310 I311 A316V128-M302 HydrophobicContact CG1-CE 4.38Å; L132-M302 HydrophobicContact CD1-CE 3.8Å; L132-M302 HydrophobicContact CD2-CE 4.1Å; L132-M302 HydrophobicContact CG-CE 4.42Å; V203-M302 HydrophobicContact CG1-CB 4.29Å; V203-M302 HydrophobicContact CG1-CG 3.8Å; V206-M302 HydrophobicContact CG1-CE 4.12Å; V206-M302 HydrophobicContact CG1-SD 4.37Å; M210-M302 HydrophobicContact SD-SD 4.19Å; L298-M302 HydrophobicContact CD1-CE 3.83Å; L298-M302 HydrophobicContact CD1-CG 4.39Å; L298-M302 HydrophobicContact CD2-CE 3.77Å; L298-M302 HydrophobicContact CG-CE 3.65Å; L298-M302 HydrophobicContact CG-CG 4.42Å; L298-M302 HydrophobicContact CG-SD 4.08Å; L298-M302 WeakPolarHBondContact O-CG 3.29Å; L298-M302 PolarHBondContact O-N 2.61Å; L299-M302 PolarHBondContact O-N 3.12Å; M302-V304 PolarHBondContact O-N 3.2Å; M302-V304 VanDerWaalsContact O-N 3.17Å; M302-R310 WeakPolarHBondContact O-CD 3.47Å; M302-R310 VanDerWaalsContact O-CG 3.31Å; M302-R310 WeakPolarHBondContact O-CG 3.36Å; M302-R310 PolarHBondContact O-NE 3.36Å; M302-I311 HydrophobicContact CG-CG2 3.91Å; M302-A316 HydrophobicContact CE-CB 4.23Å
303L97.6Very high96.2Very high5 Ų539.5 Ų39.53%0.02619%0.189CC..SBendtrans-91.344.8-176-60.6175.9000112.3W204 L219 L252 V253 F284 F288 L299W204-L303 HydrophobicContact CD2-CD2 4.29Å; W204-L303 HydrophobicContact CE3-CD2 4.39Å; W204-L303 HydrophobicContact CH2-CD2 4.5Å; W204-L303 HydrophobicContact CZ2-CD2 4.39Å; W204-L303 HydrophobicContact CZ3-CB 4.4Å; L219-L303 HydrophobicContact CD2-CD1 3.73Å; L219-L303 HydrophobicContact CD2-CD2 4.25Å; L252-L303 HydrophobicContact CD2-CD1 4.24Å; V253-L303 HydrophobicContact CG1-CB 4.27Å; V253-L303 WeakPolarHBondContact CG1-O 3.24Å; F284-L303 HydrophobicContact CE2-CB 4.3Å; F284-L303 HydrophobicContact CE2-CD1 3.93Å; F284-L303 HydrophobicContact CZ-CB 4.19Å; F284-L303 HydrophobicContact CZ-CD1 4.06Å; F288-L303 HydrophobicContact CZ-CD1 4.43Å; L299-L303 HydrophobicContact CD2-CD1 4.39Å; L299-L303 WeakPolarHBondContact O-CB 3.25Å; L299-L303 WeakPolarHBondContact O-CG 3.43Å; L299-L303 PolarHBondContact O-N 3.43Å
304V95.3Very high96.2Very high38 Ų3838.1 Ų38.123%0.2319%0.188CC..  trans-93.7130.6176.9-179.90000109.9R300 R301 M302 D306 Q309 R310R300-V304 WeakPolarHBondContact O-CG2 3.49Å; R301-V304 WeakPolarHBondContact O-CG2 3.44Å; M302-V304 PolarHBondContact O-N 3.2Å; M302-V304 VanDerWaalsContact O-N 3.17Å; V304-D306 VanDerWaalsContact C-N 3.35Å; V304-D306 HydrophobicContact CG1-CB 4.39Å; V304-Q309 HydrophobicContact CG1-CB 3.97Å; V304-R310 HydrophobicContact CB-CB 4.15Å; V304-R310 HydrophobicContact CB-CG 4.33Å; V304-R310 PolarHBondContact O-NE 2.88Å; V304-R310 PolarHBondContact O-NH2 3.3Å
305L91.7Very high96.2Very high21 Ų2138.7 Ų38.711%0.1119%0.191CC..SBendtrans-63.3-40.1179-71.9179.4000112.6P188 W204 I249 V253 P256 F260 P307P188-L305 HydrophobicContact CB-CD2 4.34Å; P188-L305 HydrophobicContact CG-CD2 3.87Å; W204-L305 HydrophobicContact CH2-CD2 4.38Å; I249-L305 HydrophobicContact CG2-CD2 3.71Å; V253-L305 HydrophobicContact CG2-CD1 3.8Å; V253-L305 HydrophobicContact CG2-CD2 3.6Å; V253-L305 HydrophobicContact CG2-CG 3.51Å; P256-L305 HydrophobicContact CB-CD1 3.84Å; P256-L305 HydrophobicContact CG-CD1 4.31Å; F260-L305 HydrophobicContact CE1-CB 4.32Å; F260-L305 VanDerWaalsContact CE2-O 3.29Å; F260-L305 WeakPolarHBondContact CE2-O 3Å; F260-L305 HydrophobicContact CZ-CB 4.26Å; F260-L305 WeakPolarHBondContact CZ-O 3.37Å; L305-P307 VanDerWaalsContact O-CD 3.29Å; L305-P307 WeakPolarHBondContact O-CD 3.39Å
306D90.2Very high96.2Very high24 Ų2438.7 Ų38.713%0.12819%0.191CC..  trans-79.1109.8178.8-166.8-17.9000110.8F260 K263 V304 D308 Q309 R310F260-D306 HydrophobicContact CD2-CB 3.63Å; F260-D306 VanDerWaalsContact CE2-CA 3.48Å; F260-D306 HydrophobicContact CE2-CB 4.03Å; K263-D306 VanDerWaalsContact NZ-CG 3.29Å; K263-D306 IonicContact NZ-OD1 3.98Å; K263-D306 PolarHBondContact NZ-OD1 3.14Å; K263-D306 IonicContact NZ-OD2 2.78Å; K263-D306 PolarHBondContact NZ-OD2 2.93Å; V304-D306 VanDerWaalsContact C-N 3.35Å; V304-D306 HydrophobicContact CG1-CB 4.39Å; D306-D308 PolarHBondContact O-N 2.95Å; D306-D308 WeakPolarHBondContact OD1-CB 3.28Å; D306-D308 PolarHBondContact OD1-N 3.16Å; D306-D308 VanDerWaalsContact OD1-N 3.08Å; D306-Q309 HydrophobicContact CB-CB 4.09Å; D306-Q309 HydrophobicContact CB-CG 3.98Å; D306-Q309 PolarHBondContact O-N 2.88Å; D306-R310 PolarHBondContact O-N 2.88Å
307P90.7Very high96.2Very high2 Ų238.5 Ų38.51%0.01319%0.19CC..THydrogen-bonded Turntrans-64.2-20.4-179.227.7-34.6000112.8W194 N198 T200 L305 Q309W194-P307 HydrophobicContact CH2-CG 4.16Å; W194-P307 HydrophobicContact CZ3-CG 4.05Å; N198-P307 PolarHBondContact ND2-O 3.49Å; T200-P307 PolarHBondContact OG1-O 3.36Å; L305-P307 VanDerWaalsContact O-CD 3.29Å; L305-P307 WeakPolarHBondContact O-CD 3.39Å; P307-Q309 VanDerWaalsContact C-N 3.3Å
308D89.6Confident96.2Very high96 Ų9638.8 Ų38.851%0.51320%0.199SC..THydrogen-bonded Turntrans-78.6-17.8175.6-58.1-34.4000112.4K263 D306K263-D308 IonicContact NZ-OD2 2.58Å; K263-D308 PolarHBondContact NZ-OD2 3.29Å; D306-D308 PolarHBondContact O-N 2.95Å; D306-D308 WeakPolarHBondContact OD1-CB 3.28Å; D306-D308 PolarHBondContact OD1-N 3.16Å; D306-D308 VanDerWaalsContact OD1-N 3.08Å
309Q93.3Very high96.2Very high138 Ų13839.2 Ų39.265%0.64520%0.201SC*.THydrogen-bonded Turntrans-106-10.3178.4-58.7-61.9-48.400112.3V304 D306 P307V304-Q309 HydrophobicContact CG1-CB 3.97Å; D306-Q309 HydrophobicContact CB-CB 4.09Å; D306-Q309 HydrophobicContact CB-CG 3.98Å; D306-Q309 PolarHBondContact O-N 2.88Å; P307-Q309 VanDerWaalsContact C-N 3.3Å
310R96.5Very high96.2Very high10 Ų1042.6 Ų42.64%0.03822%0.223CC..SBendtrans-71.1138.7177.2-165.6-177.9-59.3144.43.9109.3E189 T200 M302 V304 D306E189-R310 IonicContact OE1-CZ 3.93Å; E189-R310 VanDerWaalsContact OE1-CZ 3.28Å; E189-R310 IonicContact OE1-NH1 3.45Å; E189-R310 PolarHBondContact OE1-NH1 3.29Å; E189-R310 IonicContact OE1-NH2 2.68Å; E189-R310 PolarHBondContact OE1-NH2 2.85Å; E189-R310 IonicContact OE2-CZ 2.91Å; E189-R310 IonicContact OE2-NH1 3.05Å; E189-R310 IonicContact OE2-NH2 3.21Å; E189-R310 PolarHBondContact OE2-NH2 2.9Å; T200-R310 VanDerWaalsContact C-NH1 3.34Å; T200-R310 WeakPolarHBondContact O-CD 3.27Å; T200-R310 PolarHBondContact O-NH1 2.96Å; T200-R310 PolarHBondContact OG1-NH1 2.97Å; M302-R310 WeakPolarHBondContact O-CD 3.47Å; M302-R310 VanDerWaalsContact O-CG 3.31Å; M302-R310 WeakPolarHBondContact O-CG 3.36Å; M302-R310 PolarHBondContact O-NE 3.36Å; V304-R310 HydrophobicContact CB-CB 4.15Å; V304-R310 HydrophobicContact CB-CG 4.33Å; V304-R310 PolarHBondContact O-NE 2.88Å; V304-R310 PolarHBondContact O-NH2 3.3Å; D306-R310 PolarHBondContact O-N 2.88Å
311I98.3Very high96.2Very high18 Ų1839 Ų399%0.09221%0.21CC..PPolyproline II helixtrans-59.5140.4175.9-161.8168.9000110.4V203 L298 R301 M302 D315 A316V203-I311 HydrophobicContact CG1-CG2 3.92Å; V203-I311 WeakPolarHBondContact CG1-O 3.13Å; L298-I311 HydrophobicContact CD1-CD1 4.28Å; R301-I311 HydrophobicContact CB-CB 4.02Å; R301-I311 HydrophobicContact CB-CD1 4.27Å; R301-I311 HydrophobicContact CB-CG2 3.96Å; R301-I311 WeakPolarHBondContact O-CG2 3.41Å; R301-I311 PolarHBondContact O-N 3Å; R301-I311 VanDerWaalsContact O-N 3.16Å; M302-I311 HydrophobicContact CG-CG2 3.91Å; I311-D315 HydrophobicContact CD1-CB 4.11Å; I311-D315 HydrophobicContact CG1-CB 3.62Å; I311-A316 HydrophobicContact CD1-CB 3.98Å; I311-A316 HydrophobicContact CG1-CB 4.16Å; I311-A316 HydrophobicContact CG2-CB 4.27Å
312N97.8Very high96.2Very high42 Ų4233.2 Ų33.223%0.22519%0.188CC..PPolyproline II helixtrans-87.6172.1171.46458000110.6T200 T314 D315 A316T200-N312 HydrophobicContact CG2-CB 4.42Å; N312-T314 PolarHBondContact O-N 3.35Å; N312-T314 WeakPolarHBondContact OD1-CB 3.41Å; N312-T314 PolarHBondContact OD1-N 3.2Å; N312-T314 VanDerWaalsContact OD1-N 3.1Å; N312-D315 PolarHBondContact ND2-OD2 3.31Å; N312-D315 PolarHBondContact OD1-N 2.65Å; N312-D315 PolarHBondContact OD1-OD2 3.18Å; N312-A316 VanDerWaalsContact O-CB 3.26Å; N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.25Å
313A97.8Very high96.1Very high2 Ų237.2 Ų37.22%0.01722%0.216CC..Hα-helixtrans-62.4-41.1-177.300000112.8L132 L135 K136 A316 L317L132-A313 HydrophobicContact CD2-CB 4.38Å; L135-A313 HydrophobicContact CB-CB 4.08Å; K136-A313 HydrophobicContact CB-CB 4.32Å; A313-A316 PolarHBondContact O-N 3.37Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.1Å
314T97.3Very high96.1Very high70 Ų7041.9 Ų41.943%0.42924%0.237SC..Hα-helixtrans-61.4-49.4179.3-53.90000111.9N312 A316 L317 A318N312-T314 PolarHBondContact O-N 3.35Å; N312-T314 WeakPolarHBondContact OD1-CB 3.41Å; N312-T314 PolarHBondContact OD1-N 3.2Å; N312-T314 VanDerWaalsContact OD1-N 3.1Å; T314-A316 VanDerWaalsContact C-N 3.29Å; T314-A316 PolarHBondContact O-N 2.87Å; T314-L317 PolarHBondContact O-N 3.22Å; T314-A318 PolarHBondContact O-N 2.85Å
315D98.1Very high96Very high92 Ų9242.9 Ų42.949%0.49224%0.239SC..Hα-helixtrans-69.6-30.6179.8-66.5-25.8000111.6I311 N312 A318 H319I311-D315 HydrophobicContact CD1-CB 4.11Å; I311-D315 HydrophobicContact CG1-CB 3.62Å; N312-D315 PolarHBondContact ND2-OD2 3.31Å; N312-D315 PolarHBondContact OD1-N 2.65Å; N312-D315 PolarHBondContact OD1-OD2 3.18Å; D315-A318 PolarHBondContact O-N 3.24Å; D315-H319 PolarHBondContact O-N 3.26Å
316A98.6Very high96.2Very high0 Ų044.9 Ų44.90%025%0.248CC..Hα-helixtrans-68.3-36.8175.300000112.2L132 L298 M302 I311 N312 A313 T314 A318 H319 L322L132-A316 HydrophobicContact CD1-CB 3.73Å; L132-A316 HydrophobicContact CD2-CB 3.98Å; L132-A316 HydrophobicContact CG-CB 4.47Å; L298-A316 HydrophobicContact CD1-CB 4.23Å; M302-A316 HydrophobicContact CE-CB 4.23Å; I311-A316 HydrophobicContact CD1-CB 3.98Å; I311-A316 HydrophobicContact CG1-CB 4.16Å; I311-A316 HydrophobicContact CG2-CB 4.27Å; N312-A316 VanDerWaalsContact O-CB 3.26Å; N312-A316 WeakPolarHBondContact O-CB 3.39Å; N312-A316 PolarHBondContact O-N 3.25Å; A313-A316 PolarHBondContact O-N 3.37Å; T314-A316 VanDerWaalsContact C-N 3.29Å; T314-A316 PolarHBondContact O-N 2.87Å; A316-A318 VanDerWaalsContact C-N 3.32Å; A316-H319 WeakPolarHBondContact O-CB 3.46Å; A316-H319 PolarHBondContact O-N 2.69Å; A316-H319 VanDerWaalsContact O-N 3.16Å; A316-L322 WeakPolarHBondContact O-CD1 3.26Å
317L98.3Very high96.5Very high0 Ų047.1 Ų47.10%026%0.26CS..Hα-helixtrans-62.5-39.4174-74.5161.7000112Y129 L132 R133 K136 A313 T314 H319 H326 E331Y129-L317 HydrophobicContact CD2-CD2 3.59Å; Y129-L317 HydrophobicContact CE2-CD2 3.8Å; Y129-L317 HydrophobicContact CG-CD2 4.49Å; L132-L317 HydrophobicContact CB-CD1 4.49Å; L132-L317 HydrophobicContact CB-CD2 3.73Å; L132-L317 HydrophobicContact CB-CG 3.86Å; R133-L317 HydrophobicContact CB-CD2 4.34Å; K136-L317 HydrophobicContact CB-CD1 3.96Å; K136-L317 HydrophobicContact CD-CD1 3.65Å; K136-L317 HydrophobicContact CG-CD1 4.42Å; A313-L317 WeakPolarHBondContact O-CG 3.38Å; A313-L317 PolarHBondContact O-N 3.1Å; T314-L317 PolarHBondContact O-N 3.22Å; L317-H319 PolarHBondContact O-N 3.18Å; L317-H326 PolarHBondContact O-ND1 2.88Å; L317-E331 HydrophobicContact CD1-CG 4.32Å
318A97.9Very high96.7Very high58 Ų5851 Ų5148%0.47928%0.284SS..THydrogen-bonded Turntrans-74.91.6176.100000114.2T314 D315 A316T314-A318 PolarHBondContact O-N 2.85Å; D315-A318 PolarHBondContact O-N 3.24Å; A316-A318 VanDerWaalsContact C-N 3.32Å
319H98.6Very high96.9Very high9 Ų954.1 Ų54.14%0.04230%0.301CS..SBendtrans-72143.6-177.1-169.8-94.9000112N294 D297 L298 D315 A316 L317 Y321 L322 S323N294-H319 PolarHBondContact O-CE1 2.92Å; D297-H319 IonicContact OD2-CE1 2.71Å; D297-H319 IonicContact OD2-NE2 3.73Å; D297-H319 PolarHBondContact OD2-NE2 2.95Å; D297-H319 VanDerWaalsContact OD2-NE2 3.15Å; L298-H319 HydrophobicContact CD1-CB 3.93Å; D315-H319 PolarHBondContact O-N 3.26Å; A316-H319 WeakPolarHBondContact O-CB 3.46Å; A316-H319 PolarHBondContact O-N 2.69Å; A316-H319 VanDerWaalsContact O-N 3.16Å; L317-H319 PolarHBondContact O-N 3.18Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.45Å; H319-Y321 PolarHBondContact ND1-N 2.96Å; H319-Y321 VanDerWaalsContact ND1-N 3.2Å; H319-Y321 PolarHBondContact O-N 3.07Å; H319-L322 PolarHBondContact O-N 3.28Å; H319-S323 PolarHBondContact O-N 3.48Å
320P98.3Very high97Very high71 Ų7151 Ų5146%0.46129%0.289SS..G310 helixtrans-53-29.3179.9-31.136.8000115.6L322 S323P320-L322 VanDerWaalsContact C-N 3.25Å; P320-L322 PolarHBondContact O-N 2.8Å; P320-S323 WeakPolarHBondContact O-CB 3.16Å; P320-S323 PolarHBondContact O-N 3.16Å; P320-S323 PolarHBondContact O-OG 2.93Å
321Y98.5Very high97Very high1 Ų150.8 Ų50.80%0.00429%0.288CS..G310 helixtrans-61.1-30.7175.5-174.4-117.4000113.8D121 Q125 M210 N294 A295 L298 H319D121-Y321 PolarHBondContact OD1-OH 3.05Å; Q125-Y321 HydrophobicContact CB-CE1 4.48Å; Q125-Y321 HydrophobicContact CG-CD1 4.2Å; Q125-Y321 HydrophobicContact CG-CD2 4.12Å; Q125-Y321 HydrophobicContact CG-CE1 3.63Å; Q125-Y321 HydrophobicContact CG-CE2 3.52Å; Q125-Y321 HydrophobicContact CG-CG 4.45Å; Q125-Y321 PolarHBondContact NE2-O 2.82Å; M210-Y321 HydrophobicContact CE-CD1 3.71Å; M210-Y321 HydrophobicContact CE-CE1 3.25Å; M210-Y321 HydrophobicContact SD-CE1 4.33Å; N294-Y321 HydrophobicContact CB-CD2 3.93Å; N294-Y321 HydrophobicContact CB-CG 4.38Å; A295-Y321 HydrophobicContact CB-CD2 3.81Å; A295-Y321 HydrophobicContact CB-CE1 4.4Å; A295-Y321 HydrophobicContact CB-CE2 3.39Å; A295-Y321 HydrophobicContact CB-CG 4.46Å; A295-Y321 VanDerWaalsContact N-CD2 3.3Å; L298-Y321 HydrophobicContact CD2-CD1 3.68Å; L298-Y321 HydrophobicContact CD2-CG 4.37Å; H319-Y321 WeakPolarHBondContact ND1-CB 3.45Å; H319-Y321 PolarHBondContact ND1-N 2.96Å; H319-Y321 VanDerWaalsContact ND1-N 3.2Å; H319-Y321 PolarHBondContact O-N 3.07Å
322L98.2Very high97Very high0 Ų052.5 Ų52.50%030%0.301CS..G310 helixtrans-106.65.7-177.4-55.9-179.8000112.6Q125 V128 L132 L298 A316 H319 P320 Q324 F325 H326Q125-L322 HydrophobicContact CB-CD2 4.41Å; Q125-L322 WeakPolarHBondContact O-CD2 3.44Å; V128-L322 HydrophobicContact CB-CD2 4.43Å; V128-L322 HydrophobicContact CG1-CD1 4.32Å; V128-L322 HydrophobicContact CG1-CD2 4.27Å; L132-L322 HydrophobicContact CD1-CD1 3.48Å; L132-L322 VanDerWaalsContact CD1-CD1 3.48Å; L298-L322 HydrophobicContact CD2-CD1 4.29Å; L298-L322 HydrophobicContact CD2-CG 4.3Å; A316-L322 WeakPolarHBondContact O-CD1 3.26Å; H319-L322 PolarHBondContact O-N 3.28Å; P320-L322 VanDerWaalsContact C-N 3.25Å; P320-L322 PolarHBondContact O-N 2.8Å; L322-Q324 PolarHBondContact O-N 3.13Å; L322-F325 PolarHBondContact O-N 3.19Å; L322-H326 PolarHBondContact O-N 3.37Å
323S96.6Very high96.9Very high84 Ų8455.2 Ų55.259%0.58732%0.319SS*.THydrogen-bonded Turntrans-55.7-23.4-174.357.30000115.3H319 P320 F325H319-S323 PolarHBondContact O-N 3.48Å; P320-S323 WeakPolarHBondContact O-CB 3.16Å; P320-S323 PolarHBondContact O-N 3.16Å; P320-S323 PolarHBondContact O-OG 2.93Å; S323-F325 VanDerWaalsContact C-N 3.32Å
324Q95.7Very high96.8Very high103 Ų10355.6 Ų55.648%0.48132%0.321SS..THydrogen-bonded Turntrans-73.6-22.5176.876.3-172.5-0.200113.8L322L322-Q324 PolarHBondContact O-N 3.13Å
325F95.2Very high96.6Very high60 Ų6059.4 Ų59.426%0.26333%0.334SS..THydrogen-bonded Turntrans-114.5-17.1-179-58.5-57.2000113Q125 F126 Y129 L322 S323 D327Q125-F325 HydrophobicContact CB-CD2 4.3Å; Q125-F325 HydrophobicContact CB-CE2 3.8Å; F126-F325 VanDerWaalsContact CA-CE2 3.42Å; F126-F325 HydrophobicContact CB-CD2 4.41Å; F126-F325 HydrophobicContact CB-CE2 3.61Å; F126-F325 HydrophobicContact CB-CZ 3.71Å; F126-F325 HydrophobicContact CD2-CD1 4.03Å; F126-F325 HydrophobicContact CD2-CD2 4.27Å; F126-F325 AromaticContact CD2-CE1 3.82Å; F126-F325 HydrophobicContact CD2-CE1 3.82Å; F126-F325 HydrophobicContact CD2-CE2 4.04Å; F126-F325 HydrophobicContact CD2-CG 4.26Å; F126-F325 AromaticContact CD2-CZ 3.83Å; F126-F325 HydrophobicContact CD2-CZ 3.83Å; F126-F325 HydrophobicContact CG-CE1 4.48Å; F126-F325 HydrophobicContact CG-CE2 4.29Å; F126-F325 HydrophobicContact CG-CZ 4.1Å; Y129-F325 HydrophobicContact CD1-CB 3.85Å; Y129-F325 HydrophobicContact CD1-CG 4.45Å; Y129-F325 HydrophobicContact CD2-CB 3.7Å; Y129-F325 HydrophobicContact CE1-CB 4.13Å; Y129-F325 HydrophobicContact CE2-CB 3.97Å; Y129-F325 WeakPolarHBondContact CE2-O 3.43Å; Y129-F325 HydrophobicContact CG-CB 3.64Å; Y129-F325 HydrophobicContact CG-CD2 4.49Å; Y129-F325 HydrophobicContact CG-CG 4.37Å; Y129-F325 VanDerWaalsContact CZ-O 3.24Å; Y129-F325 PolarHBondContact OH-O 3.46Å; L322-F325 PolarHBondContact O-N 3.19Å; S323-F325 VanDerWaalsContact C-N 3.32Å; F325-D327 PolarHBondContact O-N 3.14Å; F325-D327 VanDerWaalsContact O-N 3.1Å
326H95.4Very high96.4Very high63 Ų6359.2 Ų59.229%0.29234%0.338SS..  trans-58.4115.8-179.6-178.145.7000110.9L317 L322 E331L317-H326 PolarHBondContact O-ND1 2.88Å; L322-H326 PolarHBondContact O-N 3.37Å; H326-E331 IonicContact CE1-OE1 3.37Å; H326-E331 IonicContact CE1-OE2 4Å; H326-E331 PolarHBondContact CE1-OE2 3.5Å; H326-E331 IonicContact CG-OE1 2.92Å; H326-E331 IonicContact ND1-OE1 2.89Å; H326-E331 PolarHBondContact ND1-OE1 2.71Å; H326-E331 IonicContact ND1-OE2 3.79Å; H326-E331 PolarHBondContact ND1-OE2 3.2Å
327D95.9Very high96Very high71 Ų7159.7 Ų59.738%0.3834%0.34SS..  trans-139.1100178.4-173.5-12.7000108.6F325 D329 D330 E331F325-D327 PolarHBondContact O-N 3.14Å; F325-D327 VanDerWaalsContact O-N 3.1Å; D327-D329 PolarHBondContact O-N 2.79Å; D327-D329 PolarHBondContact OD1-N 3.36Å; D327-D330 HydrophobicContact CB-CB 4.13Å; D327-D330 CarbonylContact O-C 3.59Å; D327-D330 PolarHBondContact O-N 3.34Å; D327-D330 VanDerWaalsContact O-N 3.08Å; D327-E331 PolarHBondContact N-OE1 2.99Å; D327-E331 VanDerWaalsContact N-OE1 3.17Å; D327-E331 WeakPolarHBondContact O-CB 3.2Å; D327-E331 WeakPolarHBondContact O-CG 3.41Å; D327-E331 PolarHBondContact O-N 2.95Å; D327-E331 VanDerWaalsContact O-N 3.14Å
328P94.3Very high95.5Very high82 Ų8264 Ų6453%0.53236%0.363SS..G310 helixtrans-57.2-29.2179.7-26.635.2000114.5D330 E331P328-D330 VanDerWaalsContact C-N 3.34Å; P328-E331 PolarHBondContact O-N 3.2Å
329D95Very high94.9Very high162 Ų16261.5 Ų61.587%0.86634%0.342SS*.G310 helixtrans-76.8-25.4-179.4-69.2-29.4000111.5D327D327-D329 PolarHBondContact O-N 2.79Å; D327-D329 PolarHBondContact OD1-N 3.36Å
330D95Very high94.3Very high73 Ų7366.3 Ų66.339%0.3937%0.366SS..G310 helixtrans-102.217.3174-167.833.1000112.8R133 D327 P328 P332R133-D330 VanDerWaalsContact CZ-O 3.27Å; R133-D330 IonicContact CZ-OD1 3.51Å; R133-D330 IonicContact CZ-OD2 3.03Å; R133-D330 PolarHBondContact NE-O 3.4Å; R133-D330 IonicContact NE-OD2 3.79Å; R133-D330 PolarHBondContact NH2-O 3.09Å; R133-D330 VanDerWaalsContact NH2-O 3.1Å; R133-D330 IonicContact NH2-OD1 3.54Å; R133-D330 PolarHBondContact NH2-OD1 2.92Å; R133-D330 IonicContact NH2-OD2 2.61Å; R133-D330 PolarHBondContact NH2-OD2 2.76Å; D327-D330 HydrophobicContact CB-CB 4.13Å; D327-D330 CarbonylContact O-C 3.59Å; D327-D330 PolarHBondContact O-N 3.34Å; D327-D330 VanDerWaalsContact O-N 3.08Å; P328-D330 VanDerWaalsContact C-N 3.34Å; D330-P332 VanDerWaalsContact C-CD 3.42Å; D330-P332 VanDerWaalsContact O-CD 3.24Å; D330-P332 WeakPolarHBondContact O-CD 3.41Å
331E96.8Very high93.7Very high5 Ų563.3 Ų63.32%0.02335%0.345CS..SBendtrans-118.570.3176.6-72.9167-168.500110.9Y129 R133 K136 L317 H326 D327 P328Y129-E331 HydrophobicContact CE2-CG 4.45Å; Y129-E331 WeakPolarHBondContact CE2-OE1 3.33Å; R133-E331 HydrophobicContact CG-CG 4.29Å; K136-E331 HydrophobicContact CD-CB 4.14Å; K136-E331 WeakPolarHBondContact CE-O 3.38Å; K136-E331 PolarHBondContact NZ-O 3.41Å; K136-E331 IonicContact NZ-OE2 2.76Å; K136-E331 PolarHBondContact NZ-OE2 3.06Å; L317-E331 HydrophobicContact CD1-CG 4.32Å; H326-E331 IonicContact CE1-OE1 3.37Å; H326-E331 IonicContact CE1-OE2 4Å; H326-E331 PolarHBondContact CE1-OE2 3.5Å; H326-E331 IonicContact CG-OE1 2.92Å; H326-E331 IonicContact ND1-OE1 2.89Å; H326-E331 PolarHBondContact ND1-OE1 2.71Å; H326-E331 IonicContact ND1-OE2 3.79Å; H326-E331 PolarHBondContact ND1-OE2 3.2Å; D327-E331 PolarHBondContact N-OE1 2.99Å; D327-E331 VanDerWaalsContact N-OE1 3.17Å; D327-E331 WeakPolarHBondContact O-CB 3.2Å; D327-E331 WeakPolarHBondContact O-CG 3.41Å; D327-E331 PolarHBondContact O-N 2.95Å; D327-E331 VanDerWaalsContact O-N 3.14Å; P328-E331 PolarHBondContact O-N 3.2Å
332P96.8Very high93.1Very high54 Ų5464.1 Ų64.135%0.35135%0.349SS..  trans-68.2160-170.430-37.6000112.9Y137 D330Y137-P332 HydrophobicContact CD2-CG 4.28Å; D330-P332 VanDerWaalsContact C-CD 3.42Å; D330-P332 VanDerWaalsContact O-CD 3.24Å; D330-P332 WeakPolarHBondContact O-CD 3.41Å
333V96.8Very high92.6Very high99 Ų9971.7 Ų71.760%0.638%0.382SS*.  trans-106.7159.2168-64.80000109.8S140S140-V333 WeakPolarHBondContact OG-CA 3.43Å
334C95.5Very high92.2Very high11 Ų1170.9 Ų70.97%0.07437%0.371CS..  trans-111.5142.9177-170.10000109.5H74 Y137 S140 A141H74-C334 VanDerWaalsContact CD2-SG 3.55Å; Y137-C334 HydrophobicContact CD1-CB 3.88Å; Y137-C334 HydrophobicContact CD2-CB 3.86Å; Y137-C334 HydrophobicContact CE1-CB 3.58Å; Y137-C334 HydrophobicContact CE2-CB 3.6Å; Y137-C334 HydrophobicContact CG-CB 4.01Å; Y137-C334 VanDerWaalsContact CZ-CB 3.45Å; Y137-C334 VanDerWaalsContact CZ-SG 3.54Å; Y137-C334 WeakPolarHBondContact O-CB 3.44Å; Y137-C334 PolarHBondContact OH-SG 2.88Å; S140-C334 CarbonylContact C-O 3.43Å; S140-C334 VanDerWaalsContact C-O 3.26Å; S140-C334 PolarHBondContact OG-N 3.41Å; S140-C334 PolarHBondContact OG-O 2.8Å; A141-C334 HydrophobicContact CB-CB 3.88Å
335E93.4Very high91.9Very high150 Ų15075.3 Ų75.370%0.70139%0.392SS*.PPolyproline II helixtrans-63.6142.2171.8-74.3-62.9144.600110.8H74 I337H74-E335 PolarHBondContact NE2-O 3.26Å; E335-I337 PolarHBondContact O-N 2.78Å
336P93.1Very high91.7Very high88 Ų8874 Ų7457%0.57139%0.387SS*.PPolyproline II helixtrans-55.5131.4179-27.535.6000113A141A141-P336 WeakPolarHBondContact O-CA 3.38Å
337I90.3Very high91.6Very high10 Ų1073.8 Ų73.85%0.05139%0.393CS..PPolyproline II helixtrans-75.7140.4175.7-165.7176.3000110.6K70 V71 H74 A141 I143 E335 F339K70-I337 HydrophobicContact CG-CD1 4.05Å; V71-I337 HydrophobicContact CG2-CD1 4.15Å; H74-I337 HydrophobicContact CB-CD1 3.63Å; H74-I337 HydrophobicContact CB-CG1 4.13Å; A141-I337 WeakPolarHBondContact O-CG2 3.08Å; A141-I337 PolarHBondContact O-N 3Å; I143-I337 HydrophobicContact CD1-CG2 4.01Å; I143-I337 HydrophobicContact CG1-CG2 3.91Å; E335-I337 PolarHBondContact O-N 2.78Å; I337-F339 HydrophobicContact CB-CE2 4.5Å; I337-F339 HydrophobicContact CG2-CD1 4.45Å; I337-F339 HydrophobicContact CG2-CD2 3.4Å; I337-F339 VanDerWaalsContact CG2-CD2 3.4Å; I337-F339 HydrophobicContact CG2-CE1 4.1Å; I337-F339 HydrophobicContact CG2-CE2 2.99Å; I337-F339 HydrophobicContact CG2-CG 4.14Å; I337-F339 HydrophobicContact CG2-CZ 3.38Å; I337-F339 PolarHBondContact O-N 2.99Å
338D87.7Confident91.4Very high89 Ų8972.7 Ų72.748%0.47639%0.387SS..  trans-71.5103.1174.417133.3000111.7K70 M340 F341K70-D338 WeakPolarHBondContact CE-O 3.26Å; K70-D338 PolarHBondContact NZ-O 3.45Å; K70-D338 IonicContact NZ-OD2 2.96Å; D338-M340 WeakPolarHBondContact OD1-CB 3.06Å; D338-M340 WeakPolarHBondContact OD1-CG 3.12Å; D338-M340 PolarHBondContact OD1-N 2.88Å; D338-F341 WeakPolarHBondContact O-CD1 3.28Å
339F85.6Confident91.3Very high7 Ų772.7 Ų72.73%0.03138%0.382CS..  trans-89.112.4174.6-78.8-69.2000114.5V71 I143 Q171 I337 F341 E342V71-F339 HydrophobicContact CG2-CE1 4.44Å; V71-F339 HydrophobicContact CG2-CZ 4.48Å; I143-F339 HydrophobicContact CD1-CZ 4.4Å; I143-F339 HydrophobicContact CG1-CE2 3.94Å; I143-F339 HydrophobicContact CG1-CZ 3.83Å; Q171-F339 HydrophobicContact CB-CB 4.14Å; Q171-F339 HydrophobicContact CB-CD1 4.22Å; Q171-F339 HydrophobicContact CB-CD2 3.58Å; Q171-F339 HydrophobicContact CB-CE2 3.89Å; Q171-F339 HydrophobicContact CB-CG 3.74Å; Q171-F339 HydrophobicContact CB-CZ 4.37Å; Q171-F339 HydrophobicContact CG-CB 4.2Å; Q171-F339 HydrophobicContact CG-CD2 3.61Å; Q171-F339 HydrophobicContact CG-CE2 4.15Å; Q171-F339 HydrophobicContact CG-CG 4.06Å; Q171-F339 VanDerWaalsContact OE1-CB 3.27Å; I337-F339 HydrophobicContact CB-CE2 4.5Å; I337-F339 HydrophobicContact CG2-CD1 4.45Å; I337-F339 HydrophobicContact CG2-CD2 3.4Å; I337-F339 VanDerWaalsContact CG2-CD2 3.4Å; I337-F339 HydrophobicContact CG2-CE1 4.1Å; I337-F339 HydrophobicContact CG2-CE2 2.99Å; I337-F339 HydrophobicContact CG2-CG 4.14Å; I337-F339 HydrophobicContact CG2-CZ 3.38Å; I337-F339 PolarHBondContact O-N 2.99Å; F339-F341 AromaticContact CD1-CE1 3.64Å; F339-F341 HydrophobicContact CD1-CE1 3.64Å; F339-F341 AromaticContact CD1-CZ 3.73Å; F339-F341 HydrophobicContact CD1-CZ 3.73Å; F339-F341 HydrophobicContact CE1-CE1 4.3Å; F339-F341 HydrophobicContact CE1-CZ 4.12Å; F339-F341 HydrophobicContact CG-CE1 4.43Å; F339-F341 PolarHBondContact O-N 3.26Å; F339-E342 HydrophobicContact CB-CG 4.25Å; F339-E342 HydrophobicContact CD1-CG 4.01Å; F339-E342 VanDerWaalsContact O-CB 3.29Å; F339-E342 WeakPolarHBondContact O-CB 3.4Å; F339-E342 WeakPolarHBondContact O-CG 3.49Å; F339-E342 PolarHBondContact O-N 3.49Å
340M86.2Confident91.2Very high110 Ų11069.5 Ų69.554%0.54236%0.362SS..G310 helixtrans-56.4-24.5-179.9-76.5-61.3-57.200114.1D338 E342 K343D338-M340 WeakPolarHBondContact OD1-CB 3.06Å; D338-M340 WeakPolarHBondContact OD1-CG 3.12Å; D338-M340 PolarHBondContact OD1-N 2.88Å; M340-E342 PolarHBondContact O-N 2.89Å; M340-K343 HydrophobicContact CE-CD 4.36Å; M340-K343 PolarHBondContact O-N 3.3Å; M340-K343 HydrophobicContact SD-CD 4.48Å
341F86.5Confident91.1Very high7 Ų766.2 Ų66.23%0.03134%0.344CS..G310 helixtrans-63.9-20.3174.273.4-86.5000113.5Y66 R67 K70 D338 F339 K343 L344 W351Y66-F341 HydrophobicContact CD1-CB 4.49Å; Y66-F341 AromaticContact CD1-CD2 3.6Å; Y66-F341 HydrophobicContact CD1-CD2 3.6Å; Y66-F341 AromaticContact CD1-CE2 3.95Å; Y66-F341 HydrophobicContact CD1-CE2 3.95Å; Y66-F341 HydrophobicContact CD1-CG 4.01Å; Y66-F341 HydrophobicContact CE1-CB 3.91Å; Y66-F341 HydrophobicContact CE1-CD1 4.12Å; Y66-F341 AromaticContact CE1-CD2 3.75Å; Y66-F341 HydrophobicContact CE1-CD2 3.75Å; Y66-F341 HydrophobicContact CE1-CE2 4.32Å; Y66-F341 AromaticContact CE1-CG 3.64Å; Y66-F341 HydrophobicContact CE1-CG 3.64Å; R67-F341 HydrophobicContact CB-CE2 3.86Å; R67-F341 HydrophobicContact CB-CZ 4.04Å; R67-F341 HydrophobicContact CG-CE2 4.23Å; R67-F341 HydrophobicContact CG-CZ 3.97Å; K70-F341 HydrophobicContact CD-CD1 3.75Å; K70-F341 HydrophobicContact CD-CE1 3.65Å; K70-F341 HydrophobicContact CD-CZ 4.43Å; D338-F341 WeakPolarHBondContact O-CD1 3.28Å; F339-F341 AromaticContact CD1-CE1 3.64Å; F339-F341 HydrophobicContact CD1-CE1 3.64Å; F339-F341 AromaticContact CD1-CZ 3.73Å; F339-F341 HydrophobicContact CD1-CZ 3.73Å; F339-F341 HydrophobicContact CE1-CE1 4.3Å; F339-F341 HydrophobicContact CE1-CZ 4.12Å; F339-F341 HydrophobicContact CG-CE1 4.43Å; F339-F341 PolarHBondContact O-N 3.26Å; F341-K343 PolarHBondContact O-N 3.34Å; F341-L344 HydrophobicContact CB-CD1 4.15Å; F341-L344 WeakPolarHBondContact O-CB 2.89Å; F341-L344 PolarHBondContact O-N 2.95Å; F341-W351 HydrophobicContact CB-CH2 4.42Å; F341-W351 HydrophobicContact CD2-CH2 4.18Å; F341-W351 HydrophobicContact CD2-CZ3 4.37Å
342E85.8Confident90.9Very high19 Ų1966.7 Ų66.79%0.08935%0.346CS..G310 helixtrans-66.6-23175.1-68.2-62.3166.300113.2K63 R67 F339 M340 L344K63-E342 WeakPolarHBondContact CE-O 3.49Å; K63-E342 WeakPolarHBondContact CE-OE2 3.21Å; K63-E342 PolarHBondContact NZ-O 2.88Å; K63-E342 IonicContact NZ-OE2 3.46Å; R67-E342 IonicContact CZ-OE1 3.41Å; R67-E342 IonicContact CZ-OE2 2.75Å; R67-E342 IonicContact NE-OE1 3.33Å; R67-E342 PolarHBondContact NE-OE1 3.34Å; R67-E342 IonicContact NE-OE2 3.15Å; R67-E342 IonicContact NH2-OE1 2.61Å; R67-E342 PolarHBondContact NH2-OE1 2.78Å; R67-E342 IonicContact NH2-OE2 3.48Å; R67-E342 PolarHBondContact NH2-OE2 3.12Å; F339-E342 HydrophobicContact CB-CG 4.25Å; F339-E342 HydrophobicContact CD1-CG 4.01Å; F339-E342 VanDerWaalsContact O-CB 3.29Å; F339-E342 WeakPolarHBondContact O-CB 3.4Å; F339-E342 WeakPolarHBondContact O-CG 3.49Å; F339-E342 PolarHBondContact O-N 3.49Å; M340-E342 PolarHBondContact O-N 2.89Å; E342-L344 VanDerWaalsContact C-N 3.3Å
343K86.7Confident90.7Very high158 Ų15866.3 Ų66.369%0.68735%0.345SS*.G310 helixtrans-87.1-5.4177.3-61.9178.1-176.8173.40112.6M340 F341M340-K343 HydrophobicContact CE-CD 4.36Å; M340-K343 PolarHBondContact O-N 3.3Å; M340-K343 HydrophobicContact SD-CD 4.48Å; F341-K343 PolarHBondContact O-N 3.34Å
344L88.4Confident90.4Very high67 Ų6765.2 Ų65.235%0.35133%0.332SS..  trans-82.2128.3-178.7-54.9177000110.8K63 F341 E342 L346 W351K63-L344 PolarHBondContact NZ-O 3.29Å; F341-L344 HydrophobicContact CB-CD1 4.15Å; F341-L344 WeakPolarHBondContact O-CB 2.89Å; F341-L344 PolarHBondContact O-N 2.95Å; E342-L344 VanDerWaalsContact C-N 3.3Å; L344-L346 HydrophobicContact CB-CD1 4.23Å; L344-L346 HydrophobicContact CB-CD2 4.13Å; L344-L346 HydrophobicContact CB-CG 3.82Å; L344-L346 HydrophobicContact CD1-CD1 4.14Å; L344-W351 HydrophobicContact CB-CH2 4.41Å; L344-W351 HydrophobicContact CB-CZ2 4.4Å
345E89.5Confident90.1Very high197 Ų19765.1 Ų65.192%0.92133%0.331SS*.  trans-100.280.4168.2-65.9-170.1170.100109
346L91.3Very high89.8Confident32 Ų3259.4 Ų59.417%0.16831%0.305CS..  trans-95.8148.7179.8-51178.1000111.3L344 E350 W351 K354L344-L346 HydrophobicContact CB-CD1 4.23Å; L344-L346 HydrophobicContact CB-CD2 4.13Å; L344-L346 HydrophobicContact CB-CG 3.82Å; L344-L346 HydrophobicContact CD1-CD1 4.14Å; L346-E350 HydrophobicContact CB-CB 3.79Å; L346-E350 HydrophobicContact CD1-CB 4.35Å; L346-E350 HydrophobicContact CG-CB 4.47Å; L346-W351 HydrophobicContact CB-CD2 4.27Å; L346-W351 HydrophobicContact CB-CG 4.33Å; L346-W351 HydrophobicContact CB-CZ2 4.21Å; L346-W351 HydrophobicContact CD1-CD2 4.14Å; L346-W351 HydrophobicContact CD1-CE3 4.2Å; L346-W351 HydrophobicContact CD1-CH2 4.03Å; L346-W351 HydrophobicContact CD1-CZ2 3.98Å; L346-W351 HydrophobicContact CD1-CZ3 4.14Å; L346-W351 HydrophobicContact CG-CZ2 4.06Å; L346-W351 PolarHBondContact O-NE1 3.46Å; L346-K354 HydrophobicContact CD1-CD 3.67Å; L346-K354 VanDerWaalsContact CD1-CE 3.49Å
347S92.8Very high89.5Confident59 Ų5959.8 Ų59.841%0.41330%0.302SS..  trans-62.1164166.770.70000111.3N349 E350 W351S347-N349 VanDerWaalsContact C-N 3.3Å; S347-N349 PolarHBondContact O-N 3.28Å; S347-E350 WeakPolarHBondContact CA-OE2 3.4Å; S347-E350 WeakPolarHBondContact CB-OE2 3.27Å; S347-E350 PolarHBondContact N-OE2 2.76Å; S347-E350 PolarHBondContact O-N 2.64Å; S347-E350 WeakPolarHBondContact OG-CG 3.38Å; S347-E350 PolarHBondContact OG-N 2.75Å; S347-E350 PolarHBondContact OG-OE2 3.21Å; S347-W351 VanDerWaalsContact O-CD1 3.32Å; S347-W351 PolarHBondContact O-N 2.93Å; S347-W351 VanDerWaalsContact O-N 3.1Å
348L91.8Very high89.2Confident48 Ų4860.7 Ų60.725%0.25131%0.307SS..Hα-helixtrans-58.2-42.8178.7-177.858.5000112.5F56 T58 E350 W351 K352F56-L348 HydrophobicContact CB-CD1 3.79Å; F56-L348 HydrophobicContact CB-CG 4.48Å; F56-L348 HydrophobicContact CD1-CD1 4.33Å; F56-L348 VanDerWaalsContact O-CD2 3.25Å; F56-L348 WeakPolarHBondContact O-CD2 3.5Å; T58-L348 WeakPolarHBondContact O-CD1 3.29Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 3.49Å; L348-W351 PolarHBondContact O-N 3.1Å; L348-K352 WeakPolarHBondContact O-CG 3.25Å; L348-K352 PolarHBondContact O-N 3.41Å
349N91.5Very high88.7Confident82 Ų8256.7 Ų56.744%0.43929%0.287SS..Hα-helixtrans-68.8-33.4-178.4-73.5-10.8000112.1S347 K352 S353S347-N349 VanDerWaalsContact C-N 3.3Å; S347-N349 PolarHBondContact O-N 3.28Å; N349-K352 WeakPolarHBondContact O-CB 3.44Å; N349-K352 PolarHBondContact O-N 3.36Å; N349-S353 PolarHBondContact O-N 2.96Å
350E93.4Very high88.2Confident95 Ų9558.8 Ų58.844%0.44431%0.305SS..Hα-helixtrans-67.5-39.8173.4-72.6166.8121.600111.7L346 S347 L348 K352 S353 K354L346-E350 HydrophobicContact CB-CB 3.79Å; L346-E350 HydrophobicContact CD1-CB 4.35Å; L346-E350 HydrophobicContact CG-CB 4.47Å; S347-E350 WeakPolarHBondContact CA-OE2 3.4Å; S347-E350 WeakPolarHBondContact CB-OE2 3.27Å; S347-E350 PolarHBondContact N-OE2 2.76Å; S347-E350 PolarHBondContact O-N 2.64Å; S347-E350 WeakPolarHBondContact OG-CG 3.38Å; S347-E350 PolarHBondContact OG-N 2.75Å; S347-E350 PolarHBondContact OG-OE2 3.21Å; L348-E350 VanDerWaalsContact C-N 3.34Å; L348-E350 PolarHBondContact O-N 3.49Å; E350-K352 VanDerWaalsContact C-N 3.34Å; E350-S353 WeakPolarHBondContact O-CB 3.33Å; E350-S353 PolarHBondContact O-N 3.35Å; E350-K354 PolarHBondContact O-N 3.42Å
351W93.3Very high86.8Confident4 Ų458.2 Ų58.22%0.01530%0.3CS..Hα-helixtrans-63.3-39.5171.6-77.7118.3000112.6K63 Y66 F341 L344 L346 S347 L348 K354 S355K63-W351 HydrophobicContact CB-CD2 4.08Å; K63-W351 HydrophobicContact CB-CH2 4.31Å; K63-W351 HydrophobicContact CB-CZ2 3.82Å; K63-W351 HydrophobicContact CD-CH2 4.26Å; K63-W351 HydrophobicContact CD-CZ2 3.7Å; K63-W351 HydrophobicContact CG-CH2 3.77Å; K63-W351 HydrophobicContact CG-CZ2 3.53Å; K63-W351 HydrophobicContact CG-CZ3 4.36Å; Y66-W351 HydrophobicContact CD1-CE3 4.3Å; Y66-W351 AromaticContact CD1-CZ3 3.64Å; Y66-W351 HydrophobicContact CD1-CZ3 3.64Å; Y66-W351 HydrophobicContact CE1-CZ3 4.26Å; Y66-W351 AromaticContact CG-CE3 3.96Å; Y66-W351 HydrophobicContact CG-CE3 3.96Å; Y66-W351 AromaticContact CG-CZ3 3.79Å; Y66-W351 HydrophobicContact CG-CZ3 3.79Å; F341-W351 HydrophobicContact CB-CH2 4.42Å; F341-W351 HydrophobicContact CD2-CH2 4.18Å; F341-W351 HydrophobicContact CD2-CZ3 4.37Å; L344-W351 HydrophobicContact CB-CH2 4.41Å; L344-W351 HydrophobicContact CB-CZ2 4.4Å; L346-W351 HydrophobicContact CB-CD2 4.27Å; L346-W351 HydrophobicContact CB-CG 4.33Å; L346-W351 HydrophobicContact CB-CZ2 4.21Å; L346-W351 HydrophobicContact CD1-CD2 4.14Å; L346-W351 HydrophobicContact CD1-CE3 4.2Å; L346-W351 HydrophobicContact CD1-CH2 4.03Å; L346-W351 HydrophobicContact CD1-CZ2 3.98Å; L346-W351 HydrophobicContact CD1-CZ3 4.14Å; L346-W351 HydrophobicContact CG-CZ2 4.06Å; L346-W351 PolarHBondContact O-NE1 3.46Å; S347-W351 VanDerWaalsContact O-CD1 3.32Å; S347-W351 PolarHBondContact O-N 2.93Å; S347-W351 VanDerWaalsContact O-N 3.1Å; L348-W351 PolarHBondContact O-N 3.1Å; W351-K354 HydrophobicContact CE3-CD 4.42Å; W351-K354 HydrophobicContact CZ3-CD 4.24Å; W351-K354 PolarHBondContact O-N 3.14Å; W351-S355 WeakPolarHBondContact O-CB 3.3Å; W351-S355 PolarHBondContact O-N 3.39Å; W351-S355 PolarHBondContact O-OG 3.37Å
352K92.7Very high85.4Confident15 Ų1557.9 Ų57.97%0.06530%0.299CS..Hα-helixtrans-61.4-45.6173.2-72-174.2-179-1640111.1F56 S93 E94 L96 L348 N349 E350 S355 L356F56-K352 HydrophobicContact CB-CD 4.17Å; F56-K352 HydrophobicContact CB-CG 3.92Å; F56-K352 HydrophobicContact CD1-CB 4.47Å; F56-K352 HydrophobicContact CD1-CG 3.48Å; F56-K352 VanDerWaalsContact CD1-CG 3.48Å; F56-K352 HydrophobicContact CD2-CD 4.47Å; F56-K352 HydrophobicContact CD2-CG 3.95Å; F56-K352 HydrophobicContact CE1-CG 3.96Å; F56-K352 HydrophobicContact CE2-CG 4.4Å; F56-K352 HydrophobicContact CG-CD 4.16Å; F56-K352 HydrophobicContact CG-CG 3.49Å; F56-K352 VanDerWaalsContact CG-CG 3.49Å; F56-K352 HydrophobicContact CZ-CG 4.41Å; S93-K352 VanDerWaalsContact O-CB 3.28Å; S93-K352 WeakPolarHBondContact O-CB 3.43Å; S93-K352 WeakPolarHBondContact O-CD 3.42Å; E94-K352 PolarHBondContact O-NZ 2.95Å; L96-K352 HydrophobicContact CB-CB 4.35Å; L96-K352 HydrophobicContact CB-CD 4.19Å; L96-K352 HydrophobicContact CB-CG 4.39Å; L96-K352 HydrophobicContact CD2-CB 4.15Å; L96-K352 HydrophobicContact CD2-CG 4.5Å; L96-K352 WeakPolarHBondContact CD2-O 3.41Å; L96-K352 VanDerWaalsContact O-CE 3.32Å; L96-K352 WeakPolarHBondContact O-CE 3.5Å; L96-K352 PolarHBondContact O-NZ 2.61Å; L96-K352 VanDerWaalsContact O-NZ 3.16Å; L348-K352 WeakPolarHBondContact O-CG 3.25Å; L348-K352 PolarHBondContact O-N 3.41Å; N349-K352 WeakPolarHBondContact O-CB 3.44Å; N349-K352 PolarHBondContact O-N 3.36Å; E350-K352 VanDerWaalsContact C-N 3.34Å; K352-S355 PolarHBondContact O-N 2.91Å; K352-L356 WeakPolarHBondContact O-CB 3.4Å; K352-L356 PolarHBondContact O-N 2.64Å
353S91.5Very high84.1Confident46 Ų4661.6 Ų61.632%0.32231%0.312SS..Hα-helixtrans-57.7-51.9176.3-163.50000111.4N349 E350 S355 L356 D357N349-S353 PolarHBondContact O-N 2.96Å; E350-S353 WeakPolarHBondContact O-CB 3.33Å; E350-S353 PolarHBondContact O-N 3.35Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.41Å; S353-L356 WeakPolarHBondContact O-CB 3.47Å; S353-L356 PolarHBondContact O-N 2.67Å; S353-L356 VanDerWaalsContact O-N 3.13Å; S353-D357 PolarHBondContact O-N 3.39Å
354K91Very high82.5Confident76 Ų7660.9 Ų60.933%0.3331%0.311SS..Hα-helixtrans-59.1-37.7178.3-77.1-166.6172.8-64.30113.3Y66 L346 E350 W351 L358Y66-K354 HydrophobicContact CD2-CB 3.78Å; Y66-K354 HydrophobicContact CE2-CB 3.62Å; Y66-K354 HydrophobicContact CE2-CD 4.37Å; L346-K354 HydrophobicContact CD1-CD 3.67Å; L346-K354 VanDerWaalsContact CD1-CE 3.49Å; E350-K354 PolarHBondContact O-N 3.42Å; W351-K354 HydrophobicContact CE3-CD 4.42Å; W351-K354 HydrophobicContact CZ3-CD 4.24Å; W351-K354 PolarHBondContact O-N 3.14Å; K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 3.07Å
355S89.2Confident80.5Confident8 Ų862.8 Ų62.86%0.05632%0.318CS..Hα-helixtrans-71.6-37.7178.3-550000111.7W351 K352 S353 L358 S359W351-S355 WeakPolarHBondContact O-CB 3.3Å; W351-S355 PolarHBondContact O-N 3.39Å; W351-S355 PolarHBondContact O-OG 3.37Å; K352-S355 PolarHBondContact O-N 2.91Å; S353-S355 VanDerWaalsContact C-N 3.27Å; S353-S355 PolarHBondContact O-N 3.41Å; S355-L358 PolarHBondContact O-N 3Å; S355-S359 PolarHBondContact O-N 2.9Å
356L87.4Confident78.5Confident30 Ų3058.2 Ų58.216%0.15730%0.295CS..Hα-helixtrans-63.3-45.1174.1-17163000110.8T88 L96 K352 S353 L358 S359 A360T88-L356 HydrophobicContact CG2-CD1 3.59Å; L96-L356 HydrophobicContact CD1-CD1 4.31Å; L96-L356 HydrophobicContact CD2-CB 4.28Å; K352-L356 WeakPolarHBondContact O-CB 3.4Å; K352-L356 PolarHBondContact O-N 2.64Å; S353-L356 WeakPolarHBondContact O-CB 3.47Å; S353-L356 PolarHBondContact O-N 2.67Å; S353-L356 VanDerWaalsContact O-N 3.13Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.03Å; L356-S359 PolarHBondContact O-N 3.37Å; L356-S359 PolarHBondContact O-OG 2.9Å; L356-A360 PolarHBondContact O-N 3.13Å
357D87.4Confident75.8Confident96 Ų9662.9 Ų62.951%0.51331%0.314SS..Hα-helixtrans-59.5-41.2177.8-61.6-25.2000111.5S353 S359 A360 F361S353-D357 PolarHBondContact O-N 3.39Å; D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.4Å; D357-A360 PolarHBondContact O-N 2.95Å; D357-F361 WeakPolarHBondContact O-CB 3.49Å; D357-F361 PolarHBondContact O-N 3.17Å; D357-F361 VanDerWaalsContact O-N 3.07Å
358L83.6Confident72.9Confident29 Ų2970 Ų7015%0.15235%0.346CS..Hα-helixtrans-62.2-35.6174.8-77-178.9000112.9Y66 V69 K70 R73 L86 K354 S355 L356 A362Y66-L358 HydrophobicContact CD2-CD1 3.5Å; Y66-L358 HydrophobicContact CD2-CG 4.36Å; Y66-L358 HydrophobicContact CE2-CD1 3.16Å; Y66-L358 HydrophobicContact CE2-CG 3.72Å; Y66-L358 HydrophobicContact CG-CD1 4.37Å; V69-L358 HydrophobicContact CB-CD1 4.32Å; V69-L358 HydrophobicContact CG1-CB 4.19Å; V69-L358 HydrophobicContact CG1-CD1 3.87Å; K70-L358 HydrophobicContact CB-CD1 4.41Å; R73-L358 PolarHBondContact NH1-O 3.45Å; L86-L358 HydrophobicContact CD2-CB 4.48Å; K354-L358 WeakPolarHBondContact O-CG 3.44Å; K354-L358 PolarHBondContact O-N 3.07Å; S355-L358 PolarHBondContact O-N 3Å; L356-L358 VanDerWaalsContact C-N 3.3Å; L356-L358 PolarHBondContact O-N 3.03Å; L358-A362 PolarHBondContact O-N 3.47Å
359S77.4Confident72Confident6 Ų671.1 Ų71.14%0.04235%0.351CS..Hα-helixtrans-75.9-36.2177.472.10000113.2S355 L356 D357 A362S355-S359 PolarHBondContact O-N 2.9Å; L356-S359 PolarHBondContact O-N 3.37Å; L356-S359 PolarHBondContact O-OG 2.9Å; D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.4Å; S359-A362 PolarHBondContact O-N 3.43Å
360A74.4Confident70.9Confident51 Ų5170.5 Ų70.542%0.42135%0.347SS..Hα-helixtrans-66.2-42.7176.800000111.1L356 D357 A362 R363L356-A360 PolarHBondContact O-N 3.13Å; D357-A360 PolarHBondContact O-N 2.95Å; A360-A362 VanDerWaalsContact C-N 3.3Å; A360-A362 PolarHBondContact O-N 3.37Å; A360-R363 WeakPolarHBondContact O-CB 3.29Å; A360-R363 PolarHBondContact O-N 3.3Å; A360-R363 VanDerWaalsContact O-N 3.16Å
361F56.9Low69.7Low97 Ų9769.2 Ų69.243%0.42534%0.341SS..Hα-helixtrans-65.4-31.8178.7-164.3-86.7000113R73 D357 R363 E364 H365R73-F361 VanDerWaalsContact NH2-CD1 3.27Å; D357-F361 WeakPolarHBondContact O-CB 3.49Å; D357-F361 PolarHBondContact O-N 3.17Å; D357-F361 VanDerWaalsContact O-N 3.07Å; F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 PolarHBondContact O-N 3.49Å; F361-E364 PolarHBondContact O-N 3.38Å; F361-H365 AromaticContact CD1-CD2 3.65Å; F361-H365 AromaticContact CE1-CD2 3.11Å; F361-H365 WeakPolarHBondContact CE1-CD2 3.45Å; F361-H365 AromaticContact CE1-NE2 3.46Å; F361-H365 WeakPolarHBondContact CE1-NE2 3.46Å; F361-H365 AromaticContact CE2-NE2 3.91Å; F361-H365 AromaticContact CZ-CD2 3.36Å; F361-H365 WeakPolarHBondContact CZ-CD2 3.18Å; F361-H365 AromaticContact CZ-NE2 3.18Å; F361-H365 WeakPolarHBondContact CZ-NE2 3.36Å; F361-H365 PolarHBondContact O-N 3.16Å
362A56.9Low68.3Low1 Ų173 Ų731%0.00836%0.36CS..Hα-helixtrans-59.5-39.4174.600000111.2L86 L358 S359 A360 E364 H365 F366L86-A362 HydrophobicContact CB-CB 4.23Å; L358-A362 PolarHBondContact O-N 3.47Å; S359-A362 PolarHBondContact O-N 3.43Å; A360-A362 VanDerWaalsContact C-N 3.3Å; A360-A362 PolarHBondContact O-N 3.37Å; A362-E364 PolarHBondContact O-N 3.18Å; A362-H365 PolarHBondContact O-N 2.59Å; A362-F366 HydrophobicContact CB-CD2 4.02Å; A362-F366 HydrophobicContact CB-CE2 4.09Å; A362-F366 VanDerWaalsContact O-CD2 3.25Å; A362-F366 WeakPolarHBondContact O-CD2 3.11Å; A362-F366 PolarHBondContact O-N 3.24Å
363R58.4Low66.8Low97 Ų9776.6 Ų76.637%0.36638%0.379SS..Hα-helixtrans-66.3-21178.7-62.8-176.5-179.1163.62.9114.3Y5 T88 A360 F361 F367Y5-R363 PolarHBondContact OH-NH2 3.23Å; T88-R363 PolarHBondContact O-NH2 3.2Å; A360-R363 WeakPolarHBondContact O-CB 3.29Å; A360-R363 PolarHBondContact O-N 3.3Å; A360-R363 VanDerWaalsContact O-N 3.16Å; F361-R363 VanDerWaalsContact C-N 3.26Å; F361-R363 PolarHBondContact O-N 3.49Å; R363-F367 VanDerWaalsContact O-CD2 3.29Å; R363-F367 WeakPolarHBondContact O-CD2 3.46Å
364E52.8Low65.1Low142 Ų14278.7 Ų78.766%0.66438%0.383SS*.Hα-helixtrans-87.3-25.6179.6-68.9-175.8172.100112.5F361 A362F361-E364 PolarHBondContact O-N 3.38Å; A362-E364 PolarHBondContact O-N 3.18Å
365H47.6Very low63.3Low108 Ų10878.9 Ų78.950%0.539%0.386SS..Hα-helixtrans-106.9-18.7-171.4-81.7-80000115.5F361 A362F361-H365 AromaticContact CD1-CD2 3.65Å; F361-H365 AromaticContact CE1-CD2 3.11Å; F361-H365 WeakPolarHBondContact CE1-CD2 3.45Å; F361-H365 AromaticContact CE1-NE2 3.46Å; F361-H365 WeakPolarHBondContact CE1-NE2 3.46Å; F361-H365 AromaticContact CE2-NE2 3.91Å; F361-H365 AromaticContact CZ-CD2 3.36Å; F361-H365 WeakPolarHBondContact CZ-CD2 3.18Å; F361-H365 AromaticContact CZ-NE2 3.18Å; F361-H365 WeakPolarHBondContact CZ-NE2 3.36Å; F361-H365 PolarHBondContact O-N 3.16Å; A362-H365 PolarHBondContact O-N 2.59Å
366F46.9Very low61.3Low101 Ų10184.3 Ų84.344%0.44341%0.412SS..THydrogen-bonded Turntrans-87.6-6.4177.4-76.9-72.8000114.5L83 A362L83-F366 WeakPolarHBondContact O-CZ 3.45Å; A362-F366 HydrophobicContact CB-CD2 4.02Å; A362-F366 HydrophobicContact CB-CE2 4.09Å; A362-F366 VanDerWaalsContact O-CD2 3.25Å; A362-F366 WeakPolarHBondContact O-CD2 3.11Å; A362-F366 PolarHBondContact O-N 3.24Å
367F35.2Very low59.1Low130 Ų13088.8 Ų88.857%0.5743%0.433SS*.THydrogen-bonded Turntrans-101.720.7178.9-71.7-82000114R363R363-F367 VanDerWaalsContact O-CD2 3.29Å; R363-F367 WeakPolarHBondContact O-CD2 3.46Å
368L31.9Very low56.5Low208 Ų20888.2 Ų88.2100%1.08943%0.426SS*.  trans-113.90167-71.4173.2000108.8

Retrieved 368 of 368 residues in 113.7 ms (Link to these results)

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