A0A3Q0KK09_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KK09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 280 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
1M40.7Very low60.3Low244 Ų244112 Ų112100%1.20270%0.701SS**  0104.30-70.8175.7177.300107.2S3M1-S3 PolarHBondContact O-N 2.99Å
2A46.8Very low61.3Low97 Ų97104.3 Ų104.380%0.80265%0.653SS**  trans-74.1105.8173.900000107.2T4A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.49Å
3S45.6Very low62.1Low111 Ų111101.8 Ų101.878%0.77663%0.63SS**  trans-64.3101166.954.50000106.8M1 S5M1-S3 PolarHBondContact O-N 2.99Å; S3-S5 PolarHBondContact O-N 2.98Å
4T55.2Low63.1Low129 Ų129101.8 Ų101.879%0.79162%0.623SS**  trans-63.789.7162.7430000106.4A2 I6A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 3.49Å; T4-I6 PolarHBondContact O-N 3.27Å
5S58.6Low63.8Low101 Ų10199.4 Ų99.471%0.70661%0.605SS**  trans-59.4113.6170.958.80000106.4S3 S7S3-S5 PolarHBondContact O-N 2.98Å; S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.1Å
6I58.4Low64.4Low157 Ų15793.8 Ų93.881%0.80557%0.571SS**  trans-60.9100.7168-63.3169.8000105.1T4 V8T4-I6 PolarHBondContact O-N 3.27Å; I6-V8 PolarHBondContact O-N 3.36Å; I6-V8 VanDerWaalsContact O-N 3.17Å
7S66.6Low64.8Low90 Ų9099 Ų9963%0.62958%0.578SS**  trans-74108.9173.572.40000106.8S5 E9S5-S7 VanDerWaalsContact C-N 3.3Å; S5-S7 PolarHBondContact O-N 3.1Å; S7-E9 PolarHBondContact O-N 2.94Å; S7-E9 VanDerWaalsContact O-N 3.16Å
8V69.5Low65.6Low136 Ų13698.3 Ų98.382%0.82458%0.579SS**  trans-67114170.3-179.90000107I6I6-V8 PolarHBondContact O-N 3.36Å; I6-V8 VanDerWaalsContact O-N 3.17Å
9E70.7Confident66.4Low52 Ų5294.9 Ų94.924%0.24356%0.557CS.*  trans-102.8139.7179.6-170.9169.7-167.500109.4S7 M13 L14 R17S7-E9 PolarHBondContact O-N 2.94Å; S7-E9 VanDerWaalsContact O-N 3.16Å; E9-M13 HydrophobicContact CG-CB 3.36Å; E9-M13 HydrophobicContact CG-CE 4.38Å; E9-M13 HydrophobicContact CG-CG 4.3Å; E9-M13 HydrophobicContact CG-SD 4.07Å; E9-M13 VanDerWaalsContact OE1-CB 3.27Å; E9-M13 WeakPolarHBondContact OE1-CB 3.46Å; E9-L14 HydrophobicContact CG-CG 4.36Å; E9-L14 PolarHBondContact OE1-N 2.87Å; E9-R17 WeakPolarHBondContact OE1-CD 3.4Å; E9-R17 IonicContact OE1-CZ 3.81Å; E9-R17 IonicContact OE1-NE 2.64Å; E9-R17 IonicContact OE1-NH1 2.96Å; E9-R17 PolarHBondContact OE1-NH1 2.96Å; E9-R17 IonicContact OE2-CZ 3.81Å; E9-R17 IonicContact OE2-NH1 2.94Å; E9-R17 PolarHBondContact OE2-NH1 3.26Å
10T74.8Confident67.1Low62 Ų6298.1 Ų98.138%0.3857%0.571SS.*  trans-82156.3173.169.10000110.3S12 M13 L14T10-S12 PolarHBondContact O-N 3.06Å; T10-S12 VanDerWaalsContact O-N 3.11Å; T10-M13 PolarHBondContact O-N 3.04Å; T10-M13 WeakPolarHBondContact OG1-CG 3.38Å; T10-M13 PolarHBondContact OG1-N 3.26Å; T10-L14 PolarHBondContact O-N 3.05Å
11G76.1Confident68Low53 Ų5394.7 Ų94.755%0.54655%0.549SS..Hα-helixtrans-56.9-27.8173.500000113.1L15G11-L15 WeakPolarHBondContact O-CG 3.46Å; G11-L15 PolarHBondContact O-N 3.08Å; G11-L15 VanDerWaalsContact O-N 3.1Å
12S72.4Confident70.1Confident19 Ų1985 Ų8513%0.13350%0.504CS..Hα-helixtrans-66.8-42.8173.6-640000112.5T10 L14 L15 V16T10-S12 PolarHBondContact O-N 3.06Å; T10-S12 VanDerWaalsContact O-N 3.11Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 3.1Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.33Å; S12-V16 WeakPolarHBondContact O-CG2 3.29Å; S12-V16 PolarHBondContact O-N 2.95Å
13M72.2Confident71.9Confident72 Ų7288.3 Ų88.336%0.35550%0.497SS..Hα-helixtrans-65.9-37.8177.2-68.4173.477.200112E9 T10 L15 V16 R17E9-M13 HydrophobicContact CG-CB 3.36Å; E9-M13 HydrophobicContact CG-CE 4.38Å; E9-M13 HydrophobicContact CG-CG 4.3Å; E9-M13 HydrophobicContact CG-SD 4.07Å; E9-M13 VanDerWaalsContact OE1-CB 3.27Å; E9-M13 WeakPolarHBondContact OE1-CB 3.46Å; T10-M13 PolarHBondContact O-N 3.04Å; T10-M13 WeakPolarHBondContact OG1-CG 3.38Å; T10-M13 PolarHBondContact OG1-N 3.26Å; M13-L15 VanDerWaalsContact C-N 3.31Å; M13-L15 PolarHBondContact O-N 3.46Å; M13-V16 WeakPolarHBondContact O-CB 3.04Å; M13-V16 PolarHBondContact O-N 2.92Å; M13-R17 PolarHBondContact O-N 3.37Å
14L75.2Confident74.2Confident102 Ų10283 Ų8353%0.53446%0.46SS..Hα-helixtrans-59.1-42.6171.2-89.3162.7000111.9E9 T10 S12 R17 S18E9-L14 HydrophobicContact CG-CG 4.36Å; E9-L14 PolarHBondContact OE1-N 2.87Å; T10-L14 PolarHBondContact O-N 3.05Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-L14 PolarHBondContact O-N 3.1Å; L14-R17 PolarHBondContact O-N 3.42Å; L14-S18 PolarHBondContact O-N 3.01Å
15L74.1Confident75.7Confident66 Ų6679.4 Ų79.435%0.34644%0.436SS..Hα-helixtrans-64.2-40.4175.6-75.3165.1000111.9G11 S12 M13 R17 S18 Q19 K154G11-L15 WeakPolarHBondContact O-CG 3.46Å; G11-L15 PolarHBondContact O-N 3.08Å; G11-L15 VanDerWaalsContact O-N 3.1Å; S12-L15 WeakPolarHBondContact O-CB 3.4Å; S12-L15 PolarHBondContact O-N 3.33Å; M13-L15 VanDerWaalsContact C-N 3.31Å; M13-L15 PolarHBondContact O-N 3.46Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.4Å; L15-S18 WeakPolarHBondContact CA-OG 3.46Å; L15-S18 PolarHBondContact O-N 2.91Å; L15-S18 VanDerWaalsContact O-N 3.17Å; L15-S18 PolarHBondContact O-OG 3.43Å; L15-Q19 PolarHBondContact O-N 3.43Å; L15-Q19 VanDerWaalsContact O-N 3.08Å; L15-K154 HydrophobicContact CD1-CG 4.15Å
16V73Confident77.3Confident10 Ų1077.3 Ų77.36%0.06142%0.422CS..Hα-helixtrans-57.6-47.7173.9175.70000110.6S12 M13 S18 Q19 D200 F201 Q202S12-V16 WeakPolarHBondContact O-CG2 3.29Å; S12-V16 PolarHBondContact O-N 2.95Å; M13-V16 WeakPolarHBondContact O-CB 3.04Å; M13-V16 PolarHBondContact O-N 2.92Å; V16-S18 VanDerWaalsContact C-N 3.26Å; V16-S18 PolarHBondContact O-N 2.96Å; V16-Q19 PolarHBondContact O-N 2.79Å; V16-D200 VanDerWaalsContact CG2-O 3.29Å; V16-D200 WeakPolarHBondContact CG2-O 3.4Å; V16-F201 VanDerWaalsContact CG2-CA 3.46Å; V16-F201 HydrophobicContact CG2-CB 4.32Å; V16-F201 HydrophobicContact CG2-CD1 3.89Å; V16-F201 HydrophobicContact CG2-CG 4.48Å; V16-Q202 HydrophobicContact CG1-CB 4.29Å; V16-Q202 HydrophobicContact CG1-CG 4.25Å
17R72.3Confident79Confident182 Ų18269.9 Ų69.969%0.68738%0.383SS*.Hα-helixtrans-62.1-33.3177.8-78-178.9157.2162.7-7.7113.3E9 M13 L14 L15 Q19E9-R17 WeakPolarHBondContact OE1-CD 3.4Å; E9-R17 IonicContact OE1-CZ 3.81Å; E9-R17 IonicContact OE1-NE 2.64Å; E9-R17 IonicContact OE1-NH1 2.96Å; E9-R17 PolarHBondContact OE1-NH1 2.96Å; E9-R17 IonicContact OE2-CZ 3.81Å; E9-R17 IonicContact OE2-NH1 2.94Å; E9-R17 PolarHBondContact OE2-NH1 3.26Å; M13-R17 PolarHBondContact O-N 3.37Å; L14-R17 PolarHBondContact O-N 3.42Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-R17 PolarHBondContact O-N 3.4Å; R17-Q19 VanDerWaalsContact C-N 3.32Å
18S78.6Confident80.4Confident87 Ų8765.6 Ų65.661%0.60835%0.353SS*.Hα-helixtrans-73.7-25.2178.576.20000113.2L14 L15 V16L14-S18 PolarHBondContact O-N 3.01Å; L15-S18 WeakPolarHBondContact CA-OG 3.46Å; L15-S18 PolarHBondContact O-N 2.91Å; L15-S18 VanDerWaalsContact O-N 3.17Å; L15-S18 PolarHBondContact O-OG 3.43Å; V16-S18 VanDerWaalsContact C-N 3.26Å; V16-S18 PolarHBondContact O-N 2.96Å
19Q81.8Confident81.6Confident33 Ų3361.4 Ų61.415%0.15433%0.33CS..SBendtrans-91.1129.3176.9-69.8-173.7-5.600109.8L15 V16 R17 R21 I153 K154 H156L15-Q19 PolarHBondContact O-N 3.43Å; L15-Q19 VanDerWaalsContact O-N 3.08Å; V16-Q19 PolarHBondContact O-N 2.79Å; R17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 HydrophobicContact CB-CG 4.06Å; Q19-R21 PolarHBondContact O-N 3.02Å; Q19-I153 PolarHBondContact NE2-O 2.8Å; Q19-I153 PolarHBondContact OE1-O 2.8Å; Q19-K154 VanDerWaalsContact NE2-C 3.31Å; Q19-K154 PolarHBondContact NE2-O 3.43Å; Q19-H156 PolarHBondContact OE1-O 3Å
20N79.1Confident82.6Confident158 Ų15862.4 Ų62.485%0.84534%0.337SS*.  trans-75.582.7174-166.910.5000109.9
21R85.6Confident83.5Confident28 Ų2860.1 Ų60.111%0.10632%0.322CS..PPolyproline II helixtrans-92.8121.2178.4-65.4-179.1-171.5-170.6-0.5110.2Q19 I153 P157 V158 F201Q19-R21 VanDerWaalsContact C-N 3.28Å; Q19-R21 HydrophobicContact CB-CG 4.06Å; Q19-R21 PolarHBondContact O-N 3.02Å; R21-I153 PolarHBondContact NH2-O 2.78Å; R21-P157 HydrophobicContact CG-CB 3.89Å; R21-V158 PolarHBondContact NH1-O 3.41Å; R21-F201 PolarHBondContact NH1-O 2.81Å
22P85.9Confident84.5Confident39 Ų3957.6 Ų57.625%0.25330%0.296SS..PPolyproline II helixtrans-70138.1176.230.6-35.4000110.3I24 Y80 S159P22-I24 PolarHBondContact O-N 3.24Å; P22-Y80 WeakPolarHBondContact CG-O 3.44Å; P22-S159 PolarHBondContact O-OG 3.48Å
23Y85.1Confident85.4Confident168 Ų16858.9 Ų58.966%0.65930%0.304SS*.PPolyproline II helixtrans-69.3130170.6-69.1-86000109.9
24I92.1Very high86.4Confident0 Ų061.9 Ų61.90%032%0.322CS..  trans-119.924.7-176.464.8170.7000112.5P22 S26 L27 Y80 T82 S159 C160 L204P22-I24 PolarHBondContact O-N 3.24Å; I24-S26 PolarHBondContact O-N 3.29Å; I24-S26 VanDerWaalsContact O-N 3.09Å; I24-L27 HydrophobicContact CD1-CD2 4.32Å; I24-L27 WeakPolarHBondContact O-CB 3.3Å; I24-L27 PolarHBondContact O-N 3.09Å; I24-Y80 HydrophobicContact CB-CD1 3.96Å; I24-Y80 HydrophobicContact CB-CE1 4.2Å; I24-Y80 HydrophobicContact CB-CG 4.13Å; I24-Y80 HydrophobicContact CG2-CD1 3.51Å; I24-Y80 HydrophobicContact CG2-CD2 4.25Å; I24-Y80 HydrophobicContact CG2-CE1 4.26Å; I24-Y80 HydrophobicContact CG2-CG 3.51Å; I24-T82 HydrophobicContact CG2-CG2 4.07Å; I24-S159 WeakPolarHBondContact CD1-O 3.34Å; I24-C160 HydrophobicContact CD1-CB 3.45Å; I24-C160 VanDerWaalsContact CD1-CB 3.45Å; I24-L204 HydrophobicContact CD1-CB 4.05Å; I24-L204 HydrophobicContact CD1-CD2 4.23Å; I24-L204 HydrophobicContact CG1-CB 4.07Å; I24-L204 HydrophobicContact CG1-CD2 4.15Å
25D86.9Confident87.2Confident52 Ų5264.1 Ų64.128%0.27833%0.329SS..G310 helixtrans-60-23.7-177.2-66.6-9.8000112.8L27 S40D25-L27 VanDerWaalsContact C-N 3.32Å; D25-S40 VanDerWaalsContact OD1-CB 3.26Å; D25-S40 WeakPolarHBondContact OD1-CB 3.15Å; D25-S40 PolarHBondContact OD1-N 2.83Å; D25-S40 PolarHBondContact OD1-OG 3.38Å
26S92.3Very high88.2Confident58 Ų5864.8 Ų64.841%0.40633%0.327SS..G310 helixtrans-82.3-0.2174.255.70000114.6I24 L28 S29 Y80I24-S26 PolarHBondContact O-N 3.29Å; I24-S26 VanDerWaalsContact O-N 3.09Å; S26-L28 PolarHBondContact O-N 3.43Å; S26-S29 WeakPolarHBondContact O-CB 3.39Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.27Å; S26-S29 VanDerWaalsContact O-OG 3.05Å; S26-Y80 WeakPolarHBondContact CB-OH 3.42Å; S26-Y80 PolarHBondContact O-OH 3.5Å; S26-Y80 PolarHBondContact OG-OH 3.26Å
27L95.5Very high89.2Confident1 Ų165.4 Ų65.41%0.00533%0.333CS..G310 helixtrans-55.7-27.9-178.5-179.966.7000112.2I24 D25 K62 Q65 Y80 M162 L204 I206I24-L27 HydrophobicContact CD1-CD2 4.32Å; I24-L27 WeakPolarHBondContact O-CB 3.3Å; I24-L27 PolarHBondContact O-N 3.09Å; D25-L27 VanDerWaalsContact C-N 3.32Å; L27-K62 HydrophobicContact CD1-CD 4.15Å; L27-K62 HydrophobicContact CG-CD 4.25Å; L27-K62 PolarHBondContact O-NZ 3.08Å; L27-Q65 HydrophobicContact CD1-CB 3.71Å; L27-Y80 WeakPolarHBondContact CA-OH 3.24Å; L27-Y80 HydrophobicContact CB-CE2 4.16Å; L27-Y80 HydrophobicContact CD1-CD2 4.13Å; L27-Y80 HydrophobicContact CD1-CE2 3.72Å; L27-Y80 PolarHBondContact N-OH 2.71Å; L27-M162 HydrophobicContact CD2-CE 4.18Å; L27-L204 HydrophobicContact CB-CD2 4Å; L27-L204 HydrophobicContact CD2-CD2 3.91Å; L27-I206 HydrophobicContact CD2-CD1 4.04Å
28L95.4Very high90.4Very high0 Ų056.8 Ų56.80%030%0.3CS..G310 helixtrans-113.224.1-179.8-59.7174.1000112.9S26 D30 H31 F32 P38 V45 F58 K62 I206 I252S26-L28 PolarHBondContact O-N 3.43Å; L28-D30 PolarHBondContact O-N 3.44Å; L28-H31 PolarHBondContact O-N 3.32Å; L28-F32 HydrophobicContact CB-CD2 3.95Å; L28-F32 HydrophobicContact CB-CE2 4.39Å; L28-F32 HydrophobicContact CD1-CE2 4.37Å; L28-F32 PolarHBondContact O-N 3.25Å; L28-P38 HydrophobicContact CD1-CG 4.09Å; L28-V45 HydrophobicContact CD1-CB 4.32Å; L28-V45 HydrophobicContact CD1-CG1 3.9Å; L28-V45 HydrophobicContact CD1-CG2 3.9Å; L28-F58 HydrophobicContact CD2-CZ 4.15Å; L28-K62 HydrophobicContact CD2-CD 4.24Å; L28-I206 HydrophobicContact CD1-CD1 4.07Å; L28-I206 HydrophobicContact CD1-CG1 4.29Å; L28-I206 HydrophobicContact CD2-CD1 4.27Å; L28-I206 HydrophobicContact CG-CD1 4.41Å; L28-I252 HydrophobicContact CD1-CD1 4.48Å; L28-I252 HydrophobicContact CD2-CD1 4.24Å
29S94.5Very high91.1Very high48 Ų4857.2 Ų57.234%0.33629%0.293SS..THydrogen-bonded Turntrans-59.5-27.2178570000113.4S26 H31S26-S29 WeakPolarHBondContact O-CB 3.39Å; S26-S29 PolarHBondContact O-N 2.89Å; S26-S29 PolarHBondContact O-OG 3.27Å; S26-S29 VanDerWaalsContact O-OG 3.05Å; S29-H31 PolarHBondContact O-N 2.95Å
30D92.3Very high91.7Very high72 Ų7256.6 Ų56.639%0.38529%0.292SS..THydrogen-bonded Turntrans-67-26.2177.8-37-38.4000111L28 K62 F261 K275L28-D30 PolarHBondContact O-N 3.44Å; D30-K62 IonicContact OD2-NZ 2.9Å; D30-K62 PolarHBondContact OD2-NZ 2.91Å; D30-F261 WeakPolarHBondContact O-CZ 3.47Å; D30-K275 PolarHBondContact O-NZ 3.01Å
31H93.9Very high92.4Very high14 Ų1449.7 Ų49.77%0.06526%0.258CS..THydrogen-bonded Turntrans-102.7-35.7-174-5976.9000111.9L28 S29 F58 I252 F261 S263L28-H31 PolarHBondContact O-N 3.32Å; S29-H31 PolarHBondContact O-N 2.95Å; H31-F58 AromaticContact CE1-CE2 3.9Å; H31-F58 AromaticContact NE2-CE2 3.75Å; H31-I252 HydrophobicContact CB-CD1 3.79Å; H31-I252 HydrophobicContact CB-CG1 4.18Å; H31-F261 HydrophobicContact CB-CE2 4.13Å; H31-F261 HydrophobicContact CB-CZ 4.48Å; H31-F261 AromaticContact CD2-CD2 3.88Å; H31-F261 AromaticContact CD2-CE2 3.85Å; H31-F261 AromaticContact CD2-CZ 3.97Å; H31-S263 VanDerWaalsContact O-CB 3.26Å; H31-S263 WeakPolarHBondContact O-CB 2.87Å; H31-S263 PolarHBondContact O-OG 2.9Å; H31-S263 VanDerWaalsContact O-OG 3.05Å
32F95.4Very high92.8Very high1 Ų155.4 Ų55.40%0.00428%0.283CS..SBendtrans-120.7126.2-177.8-61-79.2000111.3L28 P38 V45 H250 I252 Y264 I265L28-F32 HydrophobicContact CB-CD2 3.95Å; L28-F32 HydrophobicContact CB-CE2 4.39Å; L28-F32 HydrophobicContact CD1-CE2 4.37Å; L28-F32 PolarHBondContact O-N 3.25Å; F32-P38 HydrophobicContact CD2-CG 3.96Å; F32-P38 HydrophobicContact CE2-CG 4.11Å; F32-V45 HydrophobicContact CE2-CG1 4.46Å; F32-H250 HydrophobicContact CE1-CB 4.1Å; F32-H250 AromaticContact CE1-CD2 3.9Å; F32-H250 HydrophobicContact CE2-CB 4.31Å; F32-H250 HydrophobicContact CZ-CB 3.73Å; F32-I252 HydrophobicContact CE2-CD1 3.75Å; F32-I252 HydrophobicContact CE2-CG1 3.68Å; F32-I252 HydrophobicContact CZ-CD1 4.27Å; F32-I252 HydrophobicContact CZ-CG1 3.67Å; F32-Y264 WeakPolarHBondContact CE1-O 3.39Å; F32-I265 HydrophobicContact CD1-CG2 4.36Å; F32-I265 HydrophobicContact CE1-CG2 4.36Å
33P93Very high93.2Very high46 Ų4654 Ų5430%0.29927%0.274SS..  trans-54.5148166.5-21.732.2000111.1Q35 Y36 S37 I274P33-Q35 PolarHBondContact O-N 2.93Å; P33-Y36 HydrophobicContact CB-CD2 4.28Å; P33-Y36 HydrophobicContact CG-CD2 4.31Å; P33-Y36 CarbonylContact O-C 3.18Å; P33-Y36 WeakPolarHBondContact O-CA 3.39Å; P33-Y36 PolarHBondContact O-N 3.17Å; P33-S37 PolarHBondContact O-N 3.3Å; P33-S37 PolarHBondContact O-OG 3.32Å; P33-I274 HydrophobicContact CG-CG2 3.92Å
34N91.4Very high93.7Very high135 Ų13546 Ų4672%0.72224%0.243SC*.G310 helixtrans-50-37.1-172.9-69.1-10.4000114.7Y36 S37N34-Y36 PolarHBondContact O-N 2.87Å; N34-S37 WeakPolarHBondContact CA-OG 3.37Å; N34-S37 PolarHBondContact O-N 3.4Å; N34-S37 PolarHBondContact O-OG 3.07Å
35Q93.5Very high93.9Very high148 Ų14846 Ų4669%0.69224%0.243SC*.G310 helixtrans-69.1-13.7178.868.8-13035.100114.5P33P33-Q35 PolarHBondContact O-N 2.93Å
36Y95.1Very high94.3Very high80 Ų8043.7 Ų43.731%0.31423%0.231SC..G310 helixtrans-122.915.8-177.9-58.4-56.4000111.8P33 N34 H250 I265 I274P33-Y36 HydrophobicContact CB-CD2 4.28Å; P33-Y36 HydrophobicContact CG-CD2 4.31Å; P33-Y36 CarbonylContact O-C 3.18Å; P33-Y36 WeakPolarHBondContact O-CA 3.39Å; P33-Y36 PolarHBondContact O-N 3.17Å; N34-Y36 PolarHBondContact O-N 2.87Å; Y36-H250 PolarHBondContact O-CD2 3.06Å; Y36-H250 PolarHBondContact O-NE2 3.01Å; Y36-H250 VanDerWaalsContact O-NE2 3.16Å; Y36-I265 HydrophobicContact CD1-CD1 3.51Å; Y36-I265 HydrophobicContact CE1-CD1 3.75Å; Y36-I265 HydrophobicContact CG-CD1 4.22Å; Y36-I274 HydrophobicContact CD2-CD1 4.16Å; Y36-I274 HydrophobicContact CD2-CG1 4.37Å; Y36-I274 HydrophobicContact CD2-CG2 3.35Å; Y36-I274 HydrophobicContact CE1-CD1 4.41Å; Y36-I274 HydrophobicContact CE2-CD1 3.97Å; Y36-I274 HydrophobicContact CE2-CG2 3.88Å; Y36-I274 HydrophobicContact CG-CD1 4.45Å; Y36-I274 HydrophobicContact CG-CG1 4.5Å; Y36-I274 HydrophobicContact CG-CG2 4.04Å
37S94.4Very high94.3Very high24 Ų2441 Ų4117%0.16821%0.212CC..PPolyproline II helixtrans-67.3138.1179.9-62.20000111.1P33 N34 Q39P33-S37 PolarHBondContact O-N 3.3Å; P33-S37 PolarHBondContact O-OG 3.32Å; N34-S37 WeakPolarHBondContact CA-OG 3.37Å; N34-S37 PolarHBondContact O-N 3.4Å; N34-S37 PolarHBondContact O-OG 3.07Å; S37-Q39 PolarHBondContact O-N 2.72Å
38P95.9Very high94.1Very high1 Ų141.4 Ų41.41%0.00622%0.215CC..PPolyproline II helixtrans-54.8138.2170.7-25.434.3000111.6L28 F32 V45 L204 H250L28-P38 HydrophobicContact CD1-CG 4.09Å; F32-P38 HydrophobicContact CD2-CG 3.96Å; F32-P38 HydrophobicContact CE2-CG 4.11Å; P38-V45 HydrophobicContact CB-CG2 3.75Å; P38-V45 HydrophobicContact CG-CG2 3.67Å; P38-L204 HydrophobicContact CB-CD1 3.7Å; P38-H250 HydrophobicContact CG-CB 4.26Å
39Q94.7Very high93.6Very high96 Ų9641.6 Ų41.645%0.44922%0.216SC..PPolyproline II helixtrans-103.6128.3179-65.7-175.4-1.400110.6S37 G41 K42 S43S37-Q39 PolarHBondContact O-N 2.72Å; Q39-G41 PolarHBondContact O-N 3.18Å; Q39-K42 HydrophobicContact CB-CB 4.32Å; Q39-K42 HydrophobicContact CB-CD 4.38Å; Q39-K42 PolarHBondContact O-N 3.05Å; Q39-K42 VanDerWaalsContact O-N 3.11Å; Q39-S43 PolarHBondContact N-OG 2.97Å; Q39-S43 WeakPolarHBondContact O-CB 3.39Å; Q39-S43 PolarHBondContact O-N 2.69Å; Q39-S43 PolarHBondContact O-OG 3.27Å
40S94.4Very high92.9Very high20 Ų2040.7 Ų40.714%0.1421%0.208CC..THydrogen-bonded Turntrans-54.9135172.2-630000111.5D25 K42 Q202D25-S40 VanDerWaalsContact OD1-CB 3.26Å; D25-S40 WeakPolarHBondContact OD1-CB 3.15Å; D25-S40 PolarHBondContact OD1-N 2.83Å; D25-S40 PolarHBondContact OD1-OG 3.38Å; S40-K42 VanDerWaalsContact C-N 3.27Å; S40-K42 PolarHBondContact O-N 3.06Å; S40-Q202 WeakPolarHBondContact CB-O 3.26Å
41G93.5Very high92Very high13 Ų1340.3 Ų40.313%0.13421%0.212CC..THydrogen-bonded Turntrans80.5-3.6-177.400000116.1Q39 I198 L203Q39-G41 PolarHBondContact O-N 3.18Å; G41-I198 WeakPolarHBondContact CA-O 3.33Å; G41-L203 PolarHBondContact N-O 3.23Å
42K93.7Very high90.7Very high147 Ų14744.3 Ų44.364%0.63924%0.241SC*.THydrogen-bonded Turntrans-132.1-31.8-178.2-60.4-179.2-168.4166.20113.6Q39 S40Q39-K42 HydrophobicContact CB-CB 4.32Å; Q39-K42 HydrophobicContact CB-CD 4.38Å; Q39-K42 PolarHBondContact O-N 3.05Å; Q39-K42 VanDerWaalsContact O-N 3.11Å; S40-K42 VanDerWaalsContact C-N 3.27Å; S40-K42 PolarHBondContact O-N 3.06Å
43S94.6Very high89.1Confident9 Ų945 Ų456%0.06325%0.246CC..  trans-97.8131.5-172.3-63.90000112.4Q39 T249 H250Q39-S43 PolarHBondContact N-OG 2.97Å; Q39-S43 WeakPolarHBondContact O-CB 3.39Å; Q39-S43 PolarHBondContact O-N 2.69Å; Q39-S43 PolarHBondContact O-OG 3.27Å; S43-T249 VanDerWaalsContact CA-OG1 3.29Å; S43-T249 WeakPolarHBondContact CA-OG1 3.16Å; S43-T249 WeakPolarHBondContact CB-OG1 3.26Å; S43-H250 PolarHBondContact OG-CE1 3.17Å
44L95.6Very high87.4Confident0 Ų050.8 Ų50.80%027%0.269CS..EExtended strand (participates in β ladder)trans-105.2119161.9-173.264.7000108.2M191 L194 I198 C205 I207 V248 T249 H250L44-M191 HydrophobicContact CD2-SD 4.4Å; L44-L194 HydrophobicContact CD1-CD2 4.18Å; L44-I198 HydrophobicContact CD1-CD1 3.86Å; L44-C205 HydrophobicContact CD1-CB 3.9Å; L44-C205 VanDerWaalsContact CD1-SG 3.6Å; L44-I207 HydrophobicContact CD1-CD1 3.61Å; L44-I207 HydrophobicContact CD1-CG1 3.9Å; L44-I207 HydrophobicContact CD2-CD1 3.95Å; L44-I207 HydrophobicContact CG-CD1 4.06Å; L44-V248 HydrophobicContact CD2-CG2 4.48Å; L44-T249 PolarHBondContact N-OG1 3.27Å; L44-T249 PolarHBondContact O-N 3.45Å; L44-T249 PolarHBondContact O-OG1 3.44Å; L44-H250 PolarHBondContact O-N 3.07Å
45V96.4Very high85.9Confident0 Ų044.4 Ų44.40%024%0.235CC..EExtended strand (participates in β ladder)trans-102122.8179.2-171.90000108.8L28 F32 P38 V47 L204 C205 I206 I207 H250 I252L28-V45 HydrophobicContact CD1-CB 4.32Å; L28-V45 HydrophobicContact CD1-CG1 3.9Å; L28-V45 HydrophobicContact CD1-CG2 3.9Å; F32-V45 HydrophobicContact CE2-CG1 4.46Å; P38-V45 HydrophobicContact CB-CG2 3.75Å; P38-V45 HydrophobicContact CG-CG2 3.67Å; V45-V47 HydrophobicContact CG1-CG2 4.42Å; V45-L204 HydrophobicContact CG2-CD1 4.18Å; V45-C205 PolarHBondContact N-O 3.44Å; V45-I206 HydrophobicContact CB-CG1 4.23Å; V45-I206 CarbonylContact O-C 3.46Å; V45-I206 WeakPolarHBondContact O-CA 3.38Å; V45-I207 PolarHBondContact O-N 2.98Å; V45-H250 CarbonylContact C-O 3.51Å; V45-H250 WeakPolarHBondContact CA-O 3.42Å; V45-H250 HydrophobicContact CB-CB 4.44Å; V45-H250 HydrophobicContact CG1-CB 4.2Å; V45-H250 HydrophobicContact CG2-CB 4.13Å; V45-I252 HydrophobicContact CG1-CD1 4.32Å
46E94.8Very high84.8Confident5 Ų539.7 Ų39.72%0.02322%0.218CC..EExtended strand (participates in β ladder)trans-94.3133.9169.4-178.3-179.879.300109.6C48 I207 M209 W244 V248 H250 K251 I252E46-C48 PolarHBondContact OE1-SG 2.94Å; E46-C48 VanDerWaalsContact OE1-SG 3.36Å; E46-I207 CarbonylContact C-O 3.6Å; E46-I207 WeakPolarHBondContact CA-O 3.38Å; E46-M209 HydrophobicContact CG-CG 3.79Å; E46-W244 VanDerWaalsContact OE2-CD1 3.32Å; E46-W244 PolarHBondContact OE2-NE1 2.76Å; E46-V248 HydrophobicContact CB-CB 4.43Å; E46-V248 HydrophobicContact CB-CG1 3.61Å; E46-V248 HydrophobicContact CB-CG2 3.87Å; E46-H250 PolarHBondContact N-O 3.03Å; E46-K251 HydrophobicContact CB-CG 4.46Å; E46-K251 CarbonylContact O-C 3.6Å; E46-K251 VanDerWaalsContact O-CA 3.25Å; E46-K251 WeakPolarHBondContact O-CA 3.3Å; E46-K251 WeakPolarHBondContact OE1-CD 3.27Å; E46-K251 WeakPolarHBondContact OE1-CE 3.34Å; E46-K251 IonicContact OE1-NZ 2.87Å; E46-K251 PolarHBondContact OE1-NZ 2.68Å; E46-I252 PolarHBondContact O-N 2.93Å
47V93Very high84.3Confident0 Ų040 Ų400%022%0.222CC..EExtended strand (participates in β ladder)trans-118.3109.1172.5-176.30000107.7V45 F58 I206 I207 I208 M209 I252 L254V45-V47 HydrophobicContact CG1-CG2 4.42Å; V47-F58 HydrophobicContact CB-CE1 4.38Å; V47-F58 HydrophobicContact CG1-CD1 4.27Å; V47-F58 HydrophobicContact CG1-CE1 4.05Å; V47-F58 HydrophobicContact CG1-CZ 4.21Å; V47-F58 HydrophobicContact CG2-CE1 3.8Å; V47-F58 HydrophobicContact CG2-CZ 3.77Å; V47-I206 HydrophobicContact CG2-CG2 3.63Å; V47-I207 PolarHBondContact N-O 2.78Å; V47-I208 HydrophobicContact CB-CG1 4.24Å; V47-I208 CarbonylContact O-C 3.54Å; V47-I208 WeakPolarHBondContact O-CA 3.29Å; V47-M209 PolarHBondContact O-N 3.22Å; V47-I252 CarbonylContact C-O 3.54Å; V47-I252 WeakPolarHBondContact CA-O 3.4Å; V47-I252 HydrophobicContact CG1-CB 4.46Å; V47-I252 HydrophobicContact CG2-CB 4.34Å; V47-I252 HydrophobicContact CG2-CD1 4.25Å; V47-L254 HydrophobicContact CG1-CD1 3.78Å; V47-L254 HydrophobicContact CG1-CG 3.99Å
48C90.1Very high84.1Confident10 Ų1039.4 Ų39.47%0.06822%0.217CC..EExtended strand (participates in β ladder)trans-87120175.2-59.40000108.9E46 Y211 K251 I252 E253 L254E46-C48 PolarHBondContact OE1-SG 2.94Å; E46-C48 VanDerWaalsContact OE1-SG 3.36Å; C48-Y211 HydrophobicContact CB-CD2 4.04Å; C48-Y211 HydrophobicContact CB-CE2 3.75Å; C48-Y211 VanDerWaalsContact SG-CE2 3.57Å; C48-K251 WeakPolarHBondContact SG-CE 3.24Å; C48-K251 PolarHBondContact SG-NZ 2.97Å; C48-I252 PolarHBondContact N-O 3.14Å; C48-E253 HydrophobicContact CB-CG 4.48Å; C48-L254 PolarHBondContact O-N 2.99Å
49Q85Confident84Confident5 Ų539.7 Ų39.72%0.02322%0.219CC..EExtended strand (participates in β ladder)trans-120134.5-179.9-174.4-173-20.900109.8C53 C55 I208 M209 R210 Y211Q49-C53 HydrophobicContact CG-CB 4.05Å; Q49-C53 PolarHBondContact NE2-O 2.82Å; Q49-C55 HydrophobicContact CG-CB 3.84Å; Q49-C55 VanDerWaalsContact NE2-CA 3.31Å; Q49-I208 HydrophobicContact CB-CG2 4.43Å; Q49-M209 PolarHBondContact N-O 3.31Å; Q49-R210 WeakPolarHBondContact O-CA 3.39Å; Q49-Y211 PolarHBondContact O-N 2.96Å
50P80.4Confident84Confident28 Ų2835.8 Ų35.818%0.18220%0.2CC..EExtended strand (participates in β ladder)trans-62.7139.6170.4-19.330.8000110.7S52 C53 Y211 L254P50-S52 PolarHBondContact O-N 3.08Å; P50-C53 HydrophobicContact CB-CB 4.09Å; P50-C53 HydrophobicContact CG-CB 4.26Å; P50-C53 WeakPolarHBondContact O-CA 3.29Å; P50-C53 VanDerWaalsContact O-CB 3.27Å; P50-C53 WeakPolarHBondContact O-CB 3.47Å; P50-C53 PolarHBondContact O-N 3.45Å; P50-Y211 CarbonylContact C-O 3.57Å; P50-Y211 WeakPolarHBondContact CA-O 3.48Å; P50-L254 WeakPolarHBondContact CD-O 3.47Å; P50-L254 WeakPolarHBondContact CG-O 3.46Å
51S73.1Confident83.9Confident65 Ų6538.2 Ų38.246%0.45521%0.209SC..THydrogen-bonded Turntrans-63.7-28.1176.9-67.20000112.5C53 Y211 S212S51-C53 VanDerWaalsContact C-N 3.28Å; S51-Y211 WeakPolarHBondContact CB-O 3.16Å; S51-Y211 PolarHBondContact N-O 2.86Å; S51-Y211 PolarHBondContact OG-O 3.43Å; S51-S212 PolarHBondContact OG-N 2.86Å
52S66.3Low84Confident98 Ų9837.6 Ų37.669%0.68520%0.203SC*.THydrogen-bonded Turntrans-72.7-20.9172.352.30000112.7P50 E54P50-S52 PolarHBondContact O-N 3.08Å; S52-E54 PolarHBondContact O-N 2.77Å
53C61.7Low84.2Confident15 Ų1530.6 Ų30.610%0.10117%0.173CC..  trans-77.3120.8177.3-169.60000109.9Q49 P50 S51 C55 C257Q49-C53 HydrophobicContact CG-CB 4.05Å; Q49-C53 PolarHBondContact NE2-O 2.82Å; P50-C53 HydrophobicContact CB-CB 4.09Å; P50-C53 HydrophobicContact CG-CB 4.26Å; P50-C53 WeakPolarHBondContact O-CA 3.29Å; P50-C53 VanDerWaalsContact O-CB 3.27Å; P50-C53 WeakPolarHBondContact O-CB 3.47Å; P50-C53 PolarHBondContact O-N 3.45Å; S51-C53 VanDerWaalsContact C-N 3.28Å; C53-C55 HydrophobicContact CB-CB 4.27Å; C53-C55 WeakPolarHBondContact CB-SG 3.33Å; C53-C55 PolarHBondContact O-N 3.31Å; C53-C55 WeakPolarHBondContact SG-CB 3.38Å; C53-C55 PolarHBondContact SG-N 3.44Å; C53-C55 CovalentContact SG-SG 2.02Å; C53-C55 PolarHBondContact SG-SG 2.82Å; C53-C257 PolarHBondContact SG-SG 2.93Å
54E57.8Low84.2Confident167 Ų16730.6 Ų30.678%0.7817%0.172SC*.  trans-74.330.2165.8-62.7-162.7157.400112.7S52 S56S52-E54 PolarHBondContact O-N 2.77Å; E54-S56 PolarHBondContact O-N 2.89Å; E54-S56 PolarHBondContact O-OG 2.6Å
55C59.1Low84.3Confident2 Ų232.3 Ų32.31%0.01418%0.18CC..THydrogen-bonded Turntrans-63.629-178.6-42.70000114.1Q49 C53 E57 F58 L254Q49-C55 HydrophobicContact CG-CB 3.84Å; Q49-C55 VanDerWaalsContact NE2-CA 3.31Å; C53-C55 HydrophobicContact CB-CB 4.27Å; C53-C55 WeakPolarHBondContact CB-SG 3.33Å; C53-C55 PolarHBondContact O-N 3.31Å; C53-C55 WeakPolarHBondContact SG-CB 3.38Å; C53-C55 PolarHBondContact SG-N 3.44Å; C53-C55 CovalentContact SG-SG 2.02Å; C53-C55 PolarHBondContact SG-SG 2.82Å; C55-E57 PolarHBondContact O-N 3.36Å; C55-E57 VanDerWaalsContact O-N 3.08Å; C55-F58 PolarHBondContact O-N 2.75Å; C55-L254 HydrophobicContact CB-CD1 4.32Å
56S71.6Confident84.3Confident49 Ų4932.3 Ų32.334%0.34318%0.18SC..Hα-helixtrans-43.2-28.1151.9630000112.1E54 L59 H60E54-S56 PolarHBondContact O-N 2.89Å; E54-S56 PolarHBondContact O-OG 2.6Å; S56-L59 PolarHBondContact O-N 3.14Å; S56-H60 WeakPolarHBondContact O-CB 3.37Å; S56-H60 PolarHBondContact O-CD2 3.24Å; S56-H60 PolarHBondContact O-N 3.04Å
57E84.4Confident84.4Confident85 Ų8532.1 Ų32.140%0.39718%0.179SC..Hα-helixtrans-56.2-45.3172.3-172162.2-157.600113.6C55 L59 H60 Q61 F101C55-E57 PolarHBondContact O-N 3.36Å; C55-E57 VanDerWaalsContact O-N 3.08Å; E57-L59 PolarHBondContact O-N 2.88Å; E57-H60 PolarHBondContact O-N 3.44Å; E57-Q61 WeakPolarHBondContact O-CB 3.48Å; E57-Q61 PolarHBondContact O-N 2.86Å; E57-F101 HydrophobicContact CG-CE2 4.12Å
58F90.5Very high84.5Confident12 Ų1232.1 Ų32.15%0.05318%0.179CC..Hα-helixtrans-58.7-49.3175.9176.2-86.4000110.9L28 H31 V47 C55 Q61 K62 I206 I208 I252 L254L28-F58 HydrophobicContact CD2-CZ 4.15Å; H31-F58 AromaticContact CE1-CE2 3.9Å; H31-F58 AromaticContact NE2-CE2 3.75Å; V47-F58 HydrophobicContact CB-CE1 4.38Å; V47-F58 HydrophobicContact CG1-CD1 4.27Å; V47-F58 HydrophobicContact CG1-CE1 4.05Å; V47-F58 HydrophobicContact CG1-CZ 4.21Å; V47-F58 HydrophobicContact CG2-CE1 3.8Å; V47-F58 HydrophobicContact CG2-CZ 3.77Å; C55-F58 PolarHBondContact O-N 2.75Å; F58-Q61 PolarHBondContact O-N 3.19Å; F58-K62 HydrophobicContact CD1-CG 4.39Å; F58-K62 HydrophobicContact CD2-CG 4.47Å; F58-K62 HydrophobicContact CE1-CG 4.01Å; F58-K62 HydrophobicContact CE2-CG 4.13Å; F58-K62 HydrophobicContact CZ-CG 3.88Å; F58-K62 WeakPolarHBondContact O-CG 3.49Å; F58-K62 PolarHBondContact O-N 3.03Å; F58-I206 HydrophobicContact CE1-CG2 4.32Å; F58-I208 HydrophobicContact CD1-CD1 4.18Å; F58-I208 HydrophobicContact CE1-CD1 4.44Å; F58-I252 HydrophobicContact CE2-CD1 4.45Å; F58-I252 HydrophobicContact CZ-CD1 4.39Å; F58-L254 HydrophobicContact CB-CD1 4.02Å; F58-L254 HydrophobicContact CD2-CD1 4.13Å; F58-L254 HydrophobicContact CD2-CD2 4.42Å; F58-L254 HydrophobicContact CG-CD1 4.06Å
59L93.1Very high84.7Confident8 Ų832.4 Ų32.44%0.04218%0.181CC..Hα-helixtrans-61.4-47.617917660.4000111.1S56 E57 K62 L63 L86 F93 M162 I208S56-L59 PolarHBondContact O-N 3.14Å; E57-L59 PolarHBondContact O-N 2.88Å; L59-K62 PolarHBondContact O-N 3.42Å; L59-L63 HydrophobicContact CD1-CD1 3.78Å; L59-L63 HydrophobicContact CD1-CG 3.97Å; L59-L63 HydrophobicContact CG-CD1 3.82Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 VanDerWaalsContact O-CB 3.28Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.06Å; L59-L63 PolarHBondContact O-N 3.28Å; L59-L86 HydrophobicContact CD1-CD1 3.98Å; L59-L86 HydrophobicContact CD2-CD1 4.38Å; L59-F93 HydrophobicContact CD2-CD2 3.8Å; L59-F93 HydrophobicContact CD2-CE2 4.31Å; L59-M162 HydrophobicContact CD1-CB 4.36Å; L59-M162 HydrophobicContact CD1-SD 3.76Å; L59-I208 HydrophobicContact CB-CD1 3.92Å; L59-I208 HydrophobicContact CD1-CD1 3.86Å; L59-I208 HydrophobicContact CG-CD1 4.32Å
60H94.4Very high85Confident13 Ų1339 Ų396%0.0621%0.209CC..Hα-helixtrans-62.6-45.6179-69.9175000111.6S56 E57 K62 L63 M64 F93 F98 F101S56-H60 WeakPolarHBondContact O-CB 3.37Å; S56-H60 PolarHBondContact O-CD2 3.24Å; S56-H60 PolarHBondContact O-N 3.04Å; E57-H60 PolarHBondContact O-N 3.44Å; H60-K62 PolarHBondContact O-N 3.31Å; H60-L63 PolarHBondContact O-N 3.02Å; H60-M64 WeakPolarHBondContact O-CB 3.38Å; H60-M64 PolarHBondContact O-N 3.47Å; H60-F93 AromaticContact CD2-CE2 3.73Å; H60-F93 AromaticContact NE2-CE2 3.81Å; H60-F98 HydrophobicContact CB-CD2 3.98Å; H60-F98 HydrophobicContact CB-CE2 4.41Å; H60-F98 AromaticContact CD2-CD2 3.83Å; H60-F98 AromaticContact CG-CD2 3.93Å; H60-F98 WeakPolarHBondContact O-CE2 3.27Å; H60-F101 HydrophobicContact CB-CD1 3.67Å; H60-F101 HydrophobicContact CB-CD2 4.14Å; H60-F101 HydrophobicContact CB-CE1 3.8Å; H60-F101 HydrophobicContact CB-CE2 4.26Å; H60-F101 HydrophobicContact CB-CG 3.84Å; H60-F101 HydrophobicContact CB-CZ 4.09Å
61Q93.8Very high85.5Confident72 Ų7241.2 Ų41.234%0.33622%0.222SC..Hα-helixtrans-61.6-47.1179.3-173-175.111.900111E57 F58 M64 Q65 F101E57-Q61 WeakPolarHBondContact O-CB 3.48Å; E57-Q61 PolarHBondContact O-N 2.86Å; F58-Q61 PolarHBondContact O-N 3.19Å; Q61-M64 PolarHBondContact O-N 2.64Å; Q61-Q65 WeakPolarHBondContact O-CB 3.18Å; Q61-Q65 WeakPolarHBondContact O-CG 3.48Å; Q61-Q65 PolarHBondContact O-N 3.13Å; Q61-F101 HydrophobicContact CB-CZ 4.26Å
62K95.4Very high86.3Confident0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-69.9-38.1179.6-60.8-50.7176-177.20112.2L27 L28 D30 F58 L59 H60 C66 M162L27-K62 HydrophobicContact CD1-CD 4.15Å; L27-K62 HydrophobicContact CG-CD 4.25Å; L27-K62 PolarHBondContact O-NZ 3.08Å; L28-K62 HydrophobicContact CD2-CD 4.24Å; D30-K62 IonicContact OD2-NZ 2.9Å; D30-K62 PolarHBondContact OD2-NZ 2.91Å; F58-K62 HydrophobicContact CD1-CG 4.39Å; F58-K62 HydrophobicContact CD2-CG 4.47Å; F58-K62 HydrophobicContact CE1-CG 4.01Å; F58-K62 HydrophobicContact CE2-CG 4.13Å; F58-K62 HydrophobicContact CZ-CG 3.88Å; F58-K62 WeakPolarHBondContact O-CG 3.49Å; F58-K62 PolarHBondContact O-N 3.03Å; L59-K62 PolarHBondContact O-N 3.42Å; H60-K62 PolarHBondContact O-N 3.31Å; K62-C66 PolarHBondContact O-N 3.45Å; K62-C66 VanDerWaalsContact O-N 3.13Å; K62-C66 PolarHBondContact O-SG 3.11Å; K62-C66 VanDerWaalsContact O-SG 3.32Å; K62-M162 HydrophobicContact CB-CE 3.54Å; K62-M162 HydrophobicContact CB-SD 4.41Å
63L96.4Very high87.2Confident0 Ų039.8 Ų39.80%021%0.207CC..Hα-helixtrans-60.4-46.2171.5-77.9171.4000111.6L59 H60 C66 V67 C84 L86 F93 F98 V131 M162L59-L63 HydrophobicContact CD1-CD1 3.78Å; L59-L63 HydrophobicContact CD1-CG 3.97Å; L59-L63 HydrophobicContact CG-CD1 3.82Å; L59-L63 HydrophobicContact CG-CG 4.41Å; L59-L63 VanDerWaalsContact O-CB 3.28Å; L59-L63 WeakPolarHBondContact O-CB 3.4Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.06Å; L59-L63 PolarHBondContact O-N 3.28Å; H60-L63 PolarHBondContact O-N 3.02Å; L63-C66 WeakPolarHBondContact O-CB 3.05Å; L63-C66 PolarHBondContact O-N 2.9Å; L63-V67 WeakPolarHBondContact O-CG2 3.33Å; L63-V67 PolarHBondContact O-N 3.41Å; L63-V67 VanDerWaalsContact O-N 3.17Å; L63-C84 HydrophobicContact CD2-CB 4.03Å; L63-C84 WeakPolarHBondContact CD2-SG 3.36Å; L63-L86 HydrophobicContact CD1-CD2 4.17Å; L63-F93 HydrophobicContact CD1-CD2 4.41Å; L63-F93 HydrophobicContact CD1-CE2 3.49Å; L63-F93 VanDerWaalsContact CD1-CE2 3.49Å; L63-F93 HydrophobicContact CD1-CZ 3.88Å; L63-F98 HydrophobicContact CB-CE2 3.74Å; L63-F98 HydrophobicContact CB-CZ 3.85Å; L63-V131 HydrophobicContact CD2-CG1 4.35Å; L63-M162 HydrophobicContact CD2-SD 3.71Å; L63-M162 HydrophobicContact CG-SD 3.79Å
64M96.3Very high88.3Confident8 Ų842.4 Ų42.44%0.03924%0.237CC..Hα-helixtrans-61.6-48.1179.1179.5-178.377.900111.3H60 Q61 C66 V67 L68 F98 F101 V102 H105H60-M64 WeakPolarHBondContact O-CB 3.38Å; H60-M64 PolarHBondContact O-N 3.47Å; Q61-M64 PolarHBondContact O-N 2.64Å; M64-C66 VanDerWaalsContact C-N 3.26Å; M64-C66 PolarHBondContact O-N 3Å; M64-V67 PolarHBondContact O-N 3.37Å; M64-V67 VanDerWaalsContact O-N 3.14Å; M64-L68 HydrophobicContact CE-CD1 4.17Å; M64-L68 HydrophobicContact CG-CD1 3.43Å; M64-L68 VanDerWaalsContact CG-CD1 3.43Å; M64-L68 HydrophobicContact CG-CG 3.81Å; M64-L68 VanDerWaalsContact O-CB 3.31Å; M64-L68 WeakPolarHBondContact O-CB 3.16Å; M64-L68 WeakPolarHBondContact O-CG 3.47Å; M64-L68 PolarHBondContact O-N 2.94Å; M64-L68 HydrophobicContact SD-CD1 4.08Å; M64-F98 HydrophobicContact CB-CE2 4.08Å; M64-F98 HydrophobicContact CB-CZ 4.34Å; M64-F101 HydrophobicContact CB-CE1 4.33Å; M64-F101 HydrophobicContact CE-CE1 3.95Å; M64-F101 HydrophobicContact SD-CD1 4.04Å; M64-F101 HydrophobicContact SD-CE1 3.69Å; M64-V102 HydrophobicContact CB-CG2 4.23Å; M64-V102 HydrophobicContact CG-CG2 3.99Å; M64-V102 HydrophobicContact SD-CG2 4.24Å; M64-H105 HydrophobicContact CE-CB 4.09Å; M64-H105 WeakPolarHBondContact CE-CD2 3.21Å; M64-H105 VanDerWaalsContact CE-CG 3.45Å; M64-H105 HydrophobicContact SD-CB 3.62Å; M64-H105 PolarHBondContact SD-CD2 3.43Å; M64-H105 VanDerWaalsContact SD-CG 3.51Å
65Q96.3Very high89.7Confident37 Ų3736.3 Ų36.317%0.17321%0.208CC..Hα-helixtrans-56.6-39.7176-76.7178.3-27.600111.7L27 Q61 G79 Y80L27-Q65 HydrophobicContact CD1-CB 3.71Å; Q61-Q65 WeakPolarHBondContact O-CB 3.18Å; Q61-Q65 WeakPolarHBondContact O-CG 3.48Å; Q61-Q65 PolarHBondContact O-N 3.13Å; Q65-G79 CarbonylContact O-C 3.47Å; Q65-G79 WeakPolarHBondContact O-CA 3.4Å; Q65-Y80 WeakPolarHBondContact O-CD2 3.34Å; Q65-Y80 PolarHBondContact O-N 2.86Å
66C97Very high91.3Very high0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-60.4-49.5174.8-72.70000112.4K62 L63 M64 N81 T82 C84K62-C66 PolarHBondContact O-N 3.45Å; K62-C66 VanDerWaalsContact O-N 3.13Å; K62-C66 PolarHBondContact O-SG 3.11Å; K62-C66 VanDerWaalsContact O-SG 3.32Å; L63-C66 WeakPolarHBondContact O-CB 3.05Å; L63-C66 PolarHBondContact O-N 2.9Å; M64-C66 VanDerWaalsContact C-N 3.26Å; M64-C66 PolarHBondContact O-N 3Å; C66-N81 PolarHBondContact O-N 3.3Å; C66-T82 HydrophobicContact CB-CG2 3.87Å; C66-T82 VanDerWaalsContact O-CG2 3.29Å; C66-T82 WeakPolarHBondContact O-CG2 3.37Å; C66-T82 PolarHBondContact O-N 3.05Å; C66-C84 HydrophobicContact CB-CB 4.03Å
67V96.5Very high92.2Very high0 Ų040.5 Ų40.50%022%0.221CC..Hα-helixtrans-89.9-20.4-168.6-580000115.3L63 M64 F98 M127 R130 V131L63-V67 WeakPolarHBondContact O-CG2 3.33Å; L63-V67 PolarHBondContact O-N 3.41Å; L63-V67 VanDerWaalsContact O-N 3.17Å; M64-V67 PolarHBondContact O-N 3.37Å; M64-V67 VanDerWaalsContact O-N 3.14Å; V67-F98 HydrophobicContact CG2-CZ 4.42Å; V67-M127 HydrophobicContact CG2-CB 4.39Å; V67-M127 HydrophobicContact CG2-CE 3.98Å; V67-R130 HydrophobicContact CB-CB 3.91Å; V67-R130 HydrophobicContact CG1-CB 3.61Å; V67-R130 PolarHBondContact O-NH1 2.93Å; V67-V131 HydrophobicContact CB-CG2 4.47Å; V67-V131 HydrophobicContact CG1-CG2 3.56Å; V67-V131 HydrophobicContact CG2-CG2 4.28Å
68L95.4Very high92.5Very high1 Ų142.3 Ų42.31%0.00523%0.234CC..SBendtrans-62.2142.6172.1-84.2171.8000110.2M64 L77 G79 Y80 N81 L106 M127M64-L68 HydrophobicContact CE-CD1 4.17Å; M64-L68 HydrophobicContact CG-CD1 3.43Å; M64-L68 VanDerWaalsContact CG-CD1 3.43Å; M64-L68 HydrophobicContact CG-CG 3.81Å; M64-L68 VanDerWaalsContact O-CB 3.31Å; M64-L68 WeakPolarHBondContact O-CB 3.16Å; M64-L68 WeakPolarHBondContact O-CG 3.47Å; M64-L68 PolarHBondContact O-N 2.94Å; M64-L68 HydrophobicContact SD-CD1 4.08Å; L68-L77 HydrophobicContact CD1-CB 4.46Å; L68-L77 HydrophobicContact CD2-CB 4.16Å; L68-L77 HydrophobicContact CD2-CD1 3.86Å; L68-G79 CarbonylContact O-C 3.58Å; L68-G79 WeakPolarHBondContact O-CA 3.41Å; L68-Y80 PolarHBondContact O-N 3.36Å; L68-Y80 VanDerWaalsContact O-N 3.08Å; L68-N81 WeakPolarHBondContact O-CA 3.17Å; L68-N81 PolarHBondContact O-N 3.4Å; L68-L106 HydrophobicContact CD2-CD2 3.81Å; L68-M127 HydrophobicContact CB-CE 4.3Å; L68-M127 HydrophobicContact CD2-CE 3.21Å; L68-M127 HydrophobicContact CD2-SD 3.39Å; L68-M127 WeakPolarHBondContact CD2-SD 3.32Å; L68-M127 HydrophobicContact CG-CE 3.45Å; L68-M127 VanDerWaalsContact CG-CE 3.45Å; L68-M127 HydrophobicContact CG-SD 4.23Å
69P93.7Very high92.7Very high16 Ų1641.9 Ų41.910%0.10423%0.233CC..  trans-71.1163.5166.233.5-35.5000110.9T71 F72 L77 G79 F123P69-T71 PolarHBondContact O-N 3.34Å; P69-F72 HydrophobicContact CG-CB 4.21Å; P69-L77 HydrophobicContact CG-CD1 4.21Å; P69-G79 PolarHBondContact O-N 2.92Å; P69-F123 HydrophobicContact CG-CE2 3.82Å; P69-F123 HydrophobicContact CG-CZ 3.76Å
70K92.8Very high92.9Very high142 Ų14243.2 Ų43.262%0.61724%0.237SC*.SBendtrans-60.5-39.7171-72.2-178.5178.9-177.10111.6L77 N78 G79K70-L77 PolarHBondContact O-N 2.85Å; K70-N78 PolarHBondContact O-N 3.25Å; K70-G79 WeakPolarHBondContact CA-O 3.31Å; K70-G79 WeakPolarHBondContact CG-O 3.4Å; K70-G79 PolarHBondContact N-O 3.4Å
71T90.7Very high92.9Very high75 Ų7546.5 Ų46.546%0.4626%0.256SS..EExtended strand (participates in β ladder)trans-142.1147.2-178.353.50000111.3P69 F75P69-T71 PolarHBondContact O-N 3.34Å; T71-F75 CarbonylContact C-O 3.47Å; T71-F75 WeakPolarHBondContact CA-O 3.39Å; T71-F75 WeakPolarHBondContact CB-O 3.13Å
72F88.3Confident93Very high45 Ų4543.1 Ų43.120%0.19724%0.24CC..EExtended strand (participates in β ladder)trans-140.5126.3170.9-176.5-90.2000109.5P69 G74 F75 L77 I110 F115 F123P69-F72 HydrophobicContact CG-CB 4.21Å; F72-G74 PolarHBondContact O-N 3.42Å; F72-F75 PolarHBondContact N-O 2.81Å; F72-F75 WeakPolarHBondContact O-CB 3.48Å; F72-F75 PolarHBondContact O-N 3.24Å; F72-L77 HydrophobicContact CB-CD1 3.59Å; F72-L77 HydrophobicContact CB-CG 4.39Å; F72-I110 HydrophobicContact CD1-CD1 4.3Å; F72-F115 HydrophobicContact CD1-CE1 4.24Å; F72-F115 AromaticContact CD1-CZ 3.62Å; F72-F115 HydrophobicContact CD1-CZ 3.62Å; F72-F115 AromaticContact CE1-CE1 3.31Å; F72-F115 HydrophobicContact CE1-CE1 3.31Å; F72-F115 HydrophobicContact CE1-CE2 4.37Å; F72-F115 AromaticContact CE1-CZ 3.16Å; F72-F115 HydrophobicContact CE1-CZ 3.16Å; F72-F115 AromaticContact CZ-CE1 3.94Å; F72-F115 HydrophobicContact CZ-CE1 3.94Å; F72-F115 HydrophobicContact CZ-CZ 4.15Å; F72-F123 HydrophobicContact CB-CE1 4.48Å; F72-F123 HydrophobicContact CB-CE2 4.33Å; F72-F123 HydrophobicContact CB-CZ 3.97Å; F72-F123 HydrophobicContact CD1-CE1 4.43Å; F72-F123 HydrophobicContact CD2-CD1 4.39Å; F72-F123 AromaticContact CD2-CD2 3.42Å; F72-F123 HydrophobicContact CD2-CD2 3.42Å; F72-F123 VanDerWaalsContact CD2-CD2 3.42Å; F72-F123 HydrophobicContact CD2-CE1 4.22Å; F72-F123 AromaticContact CD2-CE2 3.24Å; F72-F123 HydrophobicContact CD2-CE2 3.24Å; F72-F123 HydrophobicContact CD2-CG 4.01Å; F72-F123 AromaticContact CD2-CZ 3.67Å; F72-F123 HydrophobicContact CD2-CZ 3.67Å; F72-F123 HydrophobicContact CE1-CG 4.48Å; F72-F123 HydrophobicContact CE2-CB 4.14Å; F72-F123 HydrophobicContact CE2-CD1 4.34Å; F72-F123 AromaticContact CE2-CD2 3.26Å; F72-F123 HydrophobicContact CE2-CD2 3.26Å; F72-F123 AromaticContact CE2-CE2 3.65Å; F72-F123 HydrophobicContact CE2-CE2 3.65Å; F72-F123 AromaticContact CE2-CG 3.65Å; F72-F123 HydrophobicContact CE2-CG 3.65Å; F72-F123 HydrophobicContact CE2-CZ 4.31Å; F72-F123 HydrophobicContact CG-CD1 4.46Å; F72-F123 HydrophobicContact CG-CD2 4.23Å; F72-F123 HydrophobicContact CG-CE1 4.1Å; F72-F123 AromaticContact CG-CE2 3.87Å; F72-F123 HydrophobicContact CG-CE2 3.87Å; F72-F123 AromaticContact CG-CZ 3.78Å; F72-F123 HydrophobicContact CG-CZ 3.78Å; F72-F123 HydrophobicContact CZ-CB 4.1Å; F72-F123 HydrophobicContact CZ-CD1 4.41Å; F72-F123 HydrophobicContact CZ-CD2 4.01Å; F72-F123 AromaticContact CZ-CG 3.91Å; F72-F123 HydrophobicContact CZ-CG 3.91Å
73S85.1Confident93Very high88 Ų8844.5 Ų44.562%0.61525%0.246SC*.THydrogen-bonded Turntrans48.437.4-179.3-640000114.6F75S73-F75 VanDerWaalsContact C-N 3.32Å; S73-F75 WeakPolarHBondContact O-CD2 3.33Å; S73-F75 PolarHBondContact O-N 3.09Å
74G85.8Confident93.1Very high71 Ų7144.5 Ų44.573%0.73225%0.246SC*.THydrogen-bonded Turntrans83.4-3.3-179.100000115.5F72F72-G74 PolarHBondContact O-N 3.42Å
75F88.1Confident93.2Very high39 Ų3944.1 Ų44.117%0.17124%0.244CC..EExtended strand (participates in β ladder)trans-88.4141.9174-66.7-85.1000111.1T71 F72 S73 L77 I110 P111 K114T71-F75 CarbonylContact C-O 3.47Å; T71-F75 WeakPolarHBondContact CA-O 3.39Å; T71-F75 WeakPolarHBondContact CB-O 3.13Å; F72-F75 PolarHBondContact N-O 2.81Å; F72-F75 WeakPolarHBondContact O-CB 3.48Å; F72-F75 PolarHBondContact O-N 3.24Å; S73-F75 VanDerWaalsContact C-N 3.32Å; S73-F75 WeakPolarHBondContact O-CD2 3.33Å; S73-F75 PolarHBondContact O-N 3.09Å; F75-L77 HydrophobicContact CB-CD2 4.4Å; F75-I110 HydrophobicContact CB-CG1 4.29Å; F75-I110 HydrophobicContact CD1-CG2 4.45Å; F75-I110 HydrophobicContact CD2-CG1 4.4Å; F75-I110 HydrophobicContact CD2-CG2 3.69Å; F75-I110 HydrophobicContact CE1-CG2 4.36Å; F75-I110 HydrophobicContact CE2-CG2 3.57Å; F75-I110 HydrophobicContact CG-CG1 4.18Å; F75-I110 HydrophobicContact CG-CG2 4.14Å; F75-I110 HydrophobicContact CZ-CG2 3.93Å; F75-P111 VanDerWaalsContact CE1-CD 3.47Å; F75-P111 HydrophobicContact CE1-CG 4.26Å; F75-P111 HydrophobicContact CZ-CG 4.29Å; F75-K114 HydrophobicContact CE2-CD 3.57Å; F75-K114 HydrophobicContact CZ-CD 3.48Å; F75-K114 VanDerWaalsContact CZ-CD 3.48Å; F75-K114 VanDerWaalsContact CZ-NZ 3.27Å
76H90.8Very high93.3Very high132 Ų13242.4 Ų42.461%0.61124%0.236SC*.EExtended strand (participates in β ladder)trans-87.9114.8173.6-71.1-78.6000109.5
77L92.1Very high93.3Very high7 Ų742.4 Ų42.44%0.03724%0.236CC..  trans-104.2-0.3179.5-55.6-178.8000112.5L68 P69 K70 F72 F75 G79 L106 E109 I110 F123L68-L77 HydrophobicContact CD1-CB 4.46Å; L68-L77 HydrophobicContact CD2-CB 4.16Å; L68-L77 HydrophobicContact CD2-CD1 3.86Å; P69-L77 HydrophobicContact CG-CD1 4.21Å; K70-L77 PolarHBondContact O-N 2.85Å; F72-L77 HydrophobicContact CB-CD1 3.59Å; F72-L77 HydrophobicContact CB-CG 4.39Å; F75-L77 HydrophobicContact CB-CD2 4.4Å; L77-G79 PolarHBondContact O-N 3.02Å; L77-L106 HydrophobicContact CD1-CD2 3.88Å; L77-L106 HydrophobicContact CD2-CD2 4.24Å; L77-E109 HydrophobicContact CD2-CB 4.08Å; L77-I110 HydrophobicContact CD1-CD1 4.42Å; L77-I110 HydrophobicContact CD2-CD1 4.04Å; L77-I110 HydrophobicContact CD2-CG1 4.07Å; L77-F123 HydrophobicContact CD1-CE1 4.08Å; L77-F123 HydrophobicContact CD1-CZ 3.84Å
78N90.5Very high93.3Very high123 Ų12342.4 Ų42.466%0.65824%0.236SC*.  trans53.826.9175.7-61.3-39000114.9K70K70-N78 PolarHBondContact O-N 3.25Å
79G95.1Very high93.3Very high3 Ų342.3 Ų42.33%0.03124%0.236CC..  trans-92.1171.1176.800000114.5Q65 L68 P69 K70 L77Q65-G79 CarbonylContact O-C 3.47Å; Q65-G79 WeakPolarHBondContact O-CA 3.4Å; L68-G79 CarbonylContact O-C 3.58Å; L68-G79 WeakPolarHBondContact O-CA 3.41Å; P69-G79 PolarHBondContact O-N 2.92Å; K70-G79 WeakPolarHBondContact CA-O 3.31Å; K70-G79 WeakPolarHBondContact CG-O 3.4Å; K70-G79 PolarHBondContact N-O 3.4Å; L77-G79 PolarHBondContact O-N 3.02Å
80Y95.6Very high93.1Very high35 Ų3543 Ų4314%0.13725%0.246CC..  trans-100.1-9.8-177.7-68.5-82.9000114.7P22 I24 S26 L27 Q65 L68 T82P22-Y80 WeakPolarHBondContact CG-O 3.44Å; I24-Y80 HydrophobicContact CB-CD1 3.96Å; I24-Y80 HydrophobicContact CB-CE1 4.2Å; I24-Y80 HydrophobicContact CB-CG 4.13Å; I24-Y80 HydrophobicContact CG2-CD1 3.51Å; I24-Y80 HydrophobicContact CG2-CD2 4.25Å; I24-Y80 HydrophobicContact CG2-CE1 4.26Å; I24-Y80 HydrophobicContact CG2-CG 3.51Å; S26-Y80 WeakPolarHBondContact CB-OH 3.42Å; S26-Y80 PolarHBondContact O-OH 3.5Å; S26-Y80 PolarHBondContact OG-OH 3.26Å; L27-Y80 WeakPolarHBondContact CA-OH 3.24Å; L27-Y80 HydrophobicContact CB-CE2 4.16Å; L27-Y80 HydrophobicContact CD1-CD2 4.13Å; L27-Y80 HydrophobicContact CD1-CE2 3.72Å; L27-Y80 PolarHBondContact N-OH 2.71Å; Q65-Y80 WeakPolarHBondContact O-CD2 3.34Å; Q65-Y80 PolarHBondContact O-N 2.86Å; L68-Y80 PolarHBondContact O-N 3.36Å; L68-Y80 VanDerWaalsContact O-N 3.08Å; Y80-T82 VanDerWaalsContact C-N 3.3Å; Y80-T82 PolarHBondContact O-N 2.83Å
81N95.1Very high93Very high83 Ų8337 Ų3744%0.44423%0.225SC..  trans52.544.5-176-160.628.9000113.3C66 L68 R130C66-N81 PolarHBondContact O-N 3.3Å; L68-N81 WeakPolarHBondContact O-CA 3.17Å; L68-N81 PolarHBondContact O-N 3.4Å; N81-R130 VanDerWaalsContact OD1-CZ 3.22Å; N81-R130 PolarHBondContact OD1-NE 2.8Å; N81-R130 PolarHBondContact OD1-NH2 3.28Å
82T95.4Very high92.9Very high0 Ų040.7 Ų40.70%023%0.23CC..  trans-119163-178.9-170.60000111.4I24 C66 Y80 P157 S159I24-T82 HydrophobicContact CG2-CG2 4.07Å; C66-T82 HydrophobicContact CB-CG2 3.87Å; C66-T82 VanDerWaalsContact O-CG2 3.29Å; C66-T82 WeakPolarHBondContact O-CG2 3.37Å; C66-T82 PolarHBondContact O-N 3.05Å; Y80-T82 VanDerWaalsContact C-N 3.3Å; Y80-T82 PolarHBondContact O-N 2.83Å; T82-P157 PolarHBondContact OG1-O 3.01Å; T82-S159 VanDerWaalsContact OG1-CB 3.25Å; T82-S159 WeakPolarHBondContact OG1-CB 3.4Å; T82-S159 PolarHBondContact OG1-N 3.12Å; T82-S159 PolarHBondContact OG1-OG 2.87Å
83H97Very high93.1Very high30 Ų3038.8 Ų38.814%0.13922%0.222CC..EExtended strand (participates in β ladder)trans-79.3149.2163.7-66.8-111.5000110.4R130 H132 H156 P157 V158 S159H83-R130 VanDerWaalsContact CA-O 3.26Å; H83-R130 WeakPolarHBondContact CA-O 3.33Å; H83-R130 WeakPolarHBondContact CB-O 3.25Å; H83-R130 WeakPolarHBondContact ND1-CA 3.43Å; H83-H132 AromaticContact CE1-NE2 3.95Å; H83-H132 AromaticContact CG-NE2 3.8Å; H83-H132 AromaticContact ND1-CD2 3.81Å; H83-H132 AromaticContact ND1-CE1 3.88Å; H83-H132 AromaticContact ND1-NE2 2.99Å; H83-H132 PolarHBondContact ND1-NE2 2.99Å; H83-H156 HydrophobicContact CB-CB 4.31Å; H83-H156 AromaticContact CE1-ND1 3.98Å; H83-P157 PolarHBondContact N-O 2.93Å; H83-V158 HydrophobicContact CB-CB 4.46Å; H83-V158 HydrophobicContact CB-CG2 3.82Å; H83-V158 WeakPolarHBondContact O-CA 3.38Å; H83-S159 PolarHBondContact O-N 2.84Å
84C97.5Very high93.5Very high0 Ų040.5 Ų40.50%022%0.216CC..EExtended strand (participates in β ladder)trans-125.5135.2171.9-170.90000109.1L63 C66 R130 H132 C160L63-C84 HydrophobicContact CD2-CB 4.03Å; L63-C84 WeakPolarHBondContact CD2-SG 3.36Å; C66-C84 HydrophobicContact CB-CB 4.03Å; C84-R130 PolarHBondContact N-O 3.42Å; C84-H132 PolarHBondContact O-N 2.95Å; C84-C160 HydrophobicContact CB-CB 4.47Å
85L98.3Very high93.8Very high0 Ų039.6 Ų39.60%020%0.201CC..EExtended strand (participates in β ladder)trans-101118.9171.6177.557000108.9H132 I134 S149 V152 I153 V158 C160 L161 M162L85-H132 CarbonylContact C-O 3.59Å; L85-H132 HydrophobicContact CD1-CB 3.73Å; L85-I134 HydrophobicContact CD1-CD1 3.93Å; L85-I134 HydrophobicContact CD1-CG1 4.1Å; L85-S149 WeakPolarHBondContact CD2-OG 3.43Å; L85-V152 HydrophobicContact CD1-CG1 4.31Å; L85-I153 HydrophobicContact CD2-CD1 4.27Å; L85-I153 HydrophobicContact CD2-CG1 4.27Å; L85-V158 HydrophobicContact CB-CG1 3.9Å; L85-C160 PolarHBondContact N-O 2.94Å; L85-L161 HydrophobicContact CB-CD1 4.16Å; L85-L161 HydrophobicContact CD2-CD1 4.05Å; L85-L161 HydrophobicContact CG-CD1 3.89Å; L85-L161 CarbonylContact O-C 3.57Å; L85-L161 WeakPolarHBondContact O-CA 3.4Å; L85-M162 PolarHBondContact O-N 2.82Å
86L98.3Very high94Very high0 Ų041.6 Ų41.60%022%0.22CC..EExtended strand (participates in β ladder)trans-101.6125172.7176.862.8000109.7L59 L63 D88 F93 H132 I133 I134 M162L59-L86 HydrophobicContact CD1-CD1 3.98Å; L59-L86 HydrophobicContact CD2-CD1 4.38Å; L63-L86 HydrophobicContact CD1-CD2 4.17Å; L86-D88 HydrophobicContact CD2-CB 4.47Å; L86-D88 HydrophobicContact CG-CB 4.43Å; L86-F93 HydrophobicContact CD2-CB 4.01Å; L86-F93 HydrophobicContact CD2-CD1 3.79Å; L86-F93 HydrophobicContact CD2-CD2 3.53Å; L86-F93 HydrophobicContact CD2-CE1 4.1Å; L86-F93 HydrophobicContact CD2-CE2 3.84Å; L86-F93 HydrophobicContact CD2-CG 3.48Å; L86-F93 VanDerWaalsContact CD2-CG 3.48Å; L86-F93 HydrophobicContact CD2-CZ 4.1Å; L86-H132 PolarHBondContact N-O 2.99Å; L86-I133 HydrophobicContact CB-CG1 4.39Å; L86-I133 HydrophobicContact CD2-CG1 4.41Å; L86-I133 HydrophobicContact CD2-CG2 4.34Å; L86-I133 CarbonylContact O-C 3.57Å; L86-I133 WeakPolarHBondContact O-CA 3.37Å; L86-I134 PolarHBondContact O-N 2.89Å; L86-M162 CarbonylContact C-O 3.5Å; L86-M162 WeakPolarHBondContact CA-O 3.38Å; L86-M162 HydrophobicContact CD1-CB 3.98Å
87I98Very high94.1Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-99.4109.3163.1-59.8176000107.4C89 I134 V136 L142 A145 F146 L161 M162 I163 S164I87-C89 PolarHBondContact O-N 3.09Å; I87-I134 CarbonylContact C-O 3.57Å; I87-I134 WeakPolarHBondContact CA-O 3.46Å; I87-V136 HydrophobicContact CG2-CG1 4.16Å; I87-V136 HydrophobicContact CG2-CG2 3.83Å; I87-L142 HydrophobicContact CD1-CD1 4.45Å; I87-L142 HydrophobicContact CG2-CD1 3.63Å; I87-A145 HydrophobicContact CD1-CB 4.35Å; I87-A145 HydrophobicContact CG2-CB 4.5Å; I87-F146 HydrophobicContact CD1-CD1 3.56Å; I87-F146 HydrophobicContact CD1-CE1 3.56Å; I87-L161 HydrophobicContact CD1-CD1 3.94Å; I87-L161 HydrophobicContact CG1-CD1 4.11Å; I87-M162 PolarHBondContact N-O 3.46Å; I87-I163 HydrophobicContact CB-CG1 4.3Å; I87-I163 HydrophobicContact CB-CG2 4.33Å; I87-I163 HydrophobicContact CD1-CG1 4.37Å; I87-I163 HydrophobicContact CG2-CG2 4.42Å; I87-I163 CarbonylContact O-C 3.54Å; I87-I163 WeakPolarHBondContact O-CA 3.04Å; I87-S164 PolarHBondContact O-N 2.81Å
88D96.2Very high94.2Very high0 Ų040.8 Ų40.80%021%0.214CC..EExtended strand (participates in β ladder)trans-94.792.6-176.8176.230.1000110.1L86 G90 G91 R92 F93 I133 I134 R135 V136L86-D88 HydrophobicContact CD2-CB 4.47Å; L86-D88 HydrophobicContact CG-CB 4.43Å; D88-G90 PolarHBondContact O-N 3.26Å; D88-G91 WeakPolarHBondContact OD2-CA 3.49Å; D88-R92 PolarHBondContact OD1-N 2.93Å; D88-R92 VanDerWaalsContact OD1-N 3.14Å; D88-R92 PolarHBondContact OD2-N 3.32Å; D88-F93 HydrophobicContact CB-CB 4.05Å; D88-F93 PolarHBondContact OD1-N 2.89Å; D88-F93 VanDerWaalsContact OD2-CB 3.29Å; D88-F93 WeakPolarHBondContact OD2-CB 3.26Å; D88-F93 PolarHBondContact OD2-N 3.26Å; D88-I133 HydrophobicContact CB-CG2 4.23Å; D88-I134 PolarHBondContact N-O 3.41Å; D88-R135 HydrophobicContact CB-CG 4.15Å; D88-R135 IonicContact OD2-NE 2.85Å; D88-V136 PolarHBondContact O-N 2.82Å; D88-V136 VanDerWaalsContact O-N 3.11Å
89C94Very high94.3Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-76.1122.6178.3-54.60000110.4I87 G91 V136 S164 A165 A168 F169I87-C89 PolarHBondContact O-N 3.09Å; C89-G91 VanDerWaalsContact C-N 3.33Å; C89-V136 CarbonylContact C-O 3.59Å; C89-V136 WeakPolarHBondContact CA-O 3.38Å; C89-V136 HydrophobicContact CB-CG2 4.01Å; C89-V136 WeakPolarHBondContact SG-CG2 3.38Å; C89-S164 WeakPolarHBondContact CB-O 3.36Å; C89-S164 PolarHBondContact N-O 3.31Å; C89-S164 VanDerWaalsContact N-O 3.12Å; C89-A165 VanDerWaalsContact CB-O 3.25Å; C89-A165 WeakPolarHBondContact CB-O 3.44Å; C89-A168 HydrophobicContact CB-CB 4.13Å; C89-F169 HydrophobicContact CB-CD1 4.49Å; C89-F169 HydrophobicContact CB-CE1 4Å
90G90.5Very high94.2Very high30 Ų3038.9 Ų38.931%0.30920%0.202SC..THydrogen-bonded Turntrans82.74.6-178.100000114.7D88 R92 V136D88-G90 PolarHBondContact O-N 3.26Å; G90-R92 VanDerWaalsContact C-N 3.35Å; G90-R92 PolarHBondContact O-N 3.3Å; G90-V136 PolarHBondContact N-O 3.13Å
91G90.6Very high94.1Very high17 Ų1739 Ų3918%0.17520%0.203CC..SBendtrans68.627.2168.800000115D88 C89D88-G91 WeakPolarHBondContact OD2-CA 3.49Å; C89-G91 VanDerWaalsContact C-N 3.33Å
92R89.1Confident94Very high152 Ų15235 Ų3557%0.57418%0.182SC*.  trans-89.5-5-175.2-65.1-170.9-176.6-170.810.4113D88 G90 Y94 R210D88-R92 PolarHBondContact OD1-N 2.93Å; D88-R92 VanDerWaalsContact OD1-N 3.14Å; D88-R92 PolarHBondContact OD2-N 3.32Å; G90-R92 VanDerWaalsContact C-N 3.35Å; G90-R92 PolarHBondContact O-N 3.3Å; R92-Y94 VanDerWaalsContact O-CD2 3.28Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.26Å; R92-R210 VanDerWaalsContact CD-NH1 3.27Å
93F91.9Very high93.8Very high5 Ų538.8 Ų38.82%0.02220%0.196CC..  trans-83.1125175.2-176.3-91.5000111.5L59 H60 L63 L86 D88 A95 F98 I133 R135L59-F93 HydrophobicContact CD2-CD2 3.8Å; L59-F93 HydrophobicContact CD2-CE2 4.31Å; H60-F93 AromaticContact CD2-CE2 3.73Å; H60-F93 AromaticContact NE2-CE2 3.81Å; L63-F93 HydrophobicContact CD1-CD2 4.41Å; L63-F93 HydrophobicContact CD1-CE2 3.49Å; L63-F93 VanDerWaalsContact CD1-CE2 3.49Å; L63-F93 HydrophobicContact CD1-CZ 3.88Å; L86-F93 HydrophobicContact CD2-CB 4.01Å; L86-F93 HydrophobicContact CD2-CD1 3.79Å; L86-F93 HydrophobicContact CD2-CD2 3.53Å; L86-F93 HydrophobicContact CD2-CE1 4.1Å; L86-F93 HydrophobicContact CD2-CE2 3.84Å; L86-F93 HydrophobicContact CD2-CG 3.48Å; L86-F93 VanDerWaalsContact CD2-CG 3.48Å; L86-F93 HydrophobicContact CD2-CZ 4.1Å; D88-F93 HydrophobicContact CB-CB 4.05Å; D88-F93 PolarHBondContact OD1-N 2.89Å; D88-F93 VanDerWaalsContact OD2-CB 3.29Å; D88-F93 WeakPolarHBondContact OD2-CB 3.26Å; D88-F93 PolarHBondContact OD2-N 3.26Å; F93-A95 HydrophobicContact CE1-CB 4.24Å; F93-F98 HydrophobicContact CE1-CB 4.34Å; F93-F98 HydrophobicContact CE2-CB 4.11Å; F93-F98 HydrophobicContact CE2-CG 4.38Å; F93-F98 HydrophobicContact CZ-CB 3.55Å; F93-F98 HydrophobicContact CZ-CD1 4.14Å; F93-F98 HydrophobicContact CZ-CD2 4.47Å; F93-F98 AromaticContact CZ-CG 3.8Å; F93-F98 HydrophobicContact CZ-CG 3.8Å; F93-I133 HydrophobicContact CD1-CD1 3.75Å; F93-I133 HydrophobicContact CE1-CD1 3.41Å; F93-I133 VanDerWaalsContact CE1-CD1 3.41Å; F93-I133 HydrophobicContact CE1-CG1 4.38Å; F93-I133 HydrophobicContact CZ-CD1 4.45Å; F93-R135 PolarHBondContact O-NH2 2.81Å
94Y92.6Very high93.4Very high124 Ų12443.6 Ų43.649%0.48621%0.213SC..  trans-110.4108.2177.6-62.1-83.1000109.9R92 S96 K97 F98R92-Y94 VanDerWaalsContact O-CD2 3.28Å; R92-Y94 WeakPolarHBondContact O-CD2 3.25Å; R92-Y94 WeakPolarHBondContact O-CE2 3.26Å; Y94-S96 PolarHBondContact O-N 2.93Å; Y94-K97 HydrophobicContact CD2-CD 4.16Å; Y94-K97 HydrophobicContact CG-CD 4.39Å; Y94-K97 PolarHBondContact O-N 2.89Å; Y94-K97 VanDerWaalsContact O-N 3.09Å; Y94-F98 PolarHBondContact O-N 3.41Å; Y94-F98 VanDerWaalsContact O-N 3.09Å
95A92Very high93.1Very high51 Ų5145.8 Ų45.842%0.42122%0.223SC..Hα-helixtrans-58.2-33.1179.400000112.9F93 F98 G99 I133F93-A95 HydrophobicContact CE1-CB 4.24Å; A95-F98 PolarHBondContact O-N 2.98Å; A95-G99 PolarHBondContact O-N 3.49Å; A95-I133 HydrophobicContact CB-CD1 4.45Å
96S92.6Very high92.7Very high81 Ų8145.8 Ų45.857%0.56622%0.223SC*.Hα-helixtrans-62.5-46.3174.452.20000112.4Y94 F98 G99 E100Y94-S96 PolarHBondContact O-N 2.93Å; S96-F98 VanDerWaalsContact C-N 3.3Å; S96-F98 PolarHBondContact O-N 3.48Å; S96-G99 PolarHBondContact O-N 2.81Å; S96-E100 WeakPolarHBondContact O-CG 3.14Å; S96-E100 PolarHBondContact O-N 3.17Å
97K93.2Very high92.1Very high119 Ų11951.1 Ų51.152%0.51725%0.248SC..Hα-helixtrans-62.8-38.1176-68.1-170.5175.7-173.20111.7Y94 F101Y94-K97 HydrophobicContact CD2-CD 4.16Å; Y94-K97 HydrophobicContact CG-CD 4.39Å; Y94-K97 PolarHBondContact O-N 2.89Å; Y94-K97 VanDerWaalsContact O-N 3.09Å; K97-F101 WeakPolarHBondContact O-CB 3.35Å; K97-F101 PolarHBondContact O-N 3.24Å
98F94.4Very high91.6Very high3 Ų357.5 Ų57.51%0.01328%0.283CS..Hα-helixtrans-66.1-44.9174.4176.6-114000112H60 L63 M64 V67 F93 Y94 A95 S96 E100 F101 V102 L128 V131H60-F98 HydrophobicContact CB-CD2 3.98Å; H60-F98 HydrophobicContact CB-CE2 4.41Å; H60-F98 AromaticContact CD2-CD2 3.83Å; H60-F98 AromaticContact CG-CD2 3.93Å; H60-F98 WeakPolarHBondContact O-CE2 3.27Å; L63-F98 HydrophobicContact CB-CE2 3.74Å; L63-F98 HydrophobicContact CB-CZ 3.85Å; M64-F98 HydrophobicContact CB-CE2 4.08Å; M64-F98 HydrophobicContact CB-CZ 4.34Å; V67-F98 HydrophobicContact CG2-CZ 4.42Å; F93-F98 HydrophobicContact CE1-CB 4.34Å; F93-F98 HydrophobicContact CE2-CB 4.11Å; F93-F98 HydrophobicContact CE2-CG 4.38Å; F93-F98 HydrophobicContact CZ-CB 3.55Å; F93-F98 HydrophobicContact CZ-CD1 4.14Å; F93-F98 HydrophobicContact CZ-CD2 4.47Å; F93-F98 AromaticContact CZ-CG 3.8Å; F93-F98 HydrophobicContact CZ-CG 3.8Å; Y94-F98 PolarHBondContact O-N 3.41Å; Y94-F98 VanDerWaalsContact O-N 3.09Å; A95-F98 PolarHBondContact O-N 2.98Å; S96-F98 VanDerWaalsContact C-N 3.3Å; S96-F98 PolarHBondContact O-N 3.48Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 2.02Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 2.8Å; F98-F101 VanDerWaalsContact O-N 3.11Å; F98-V102 HydrophobicContact CD1-CG2 4.47Å; F98-V102 HydrophobicContact CD2-CG2 4.2Å; F98-V102 HydrophobicContact CE1-CG2 4Å; F98-V102 HydrophobicContact CE2-CG2 3.69Å; F98-V102 HydrophobicContact CZ-CG2 3.58Å; F98-V102 WeakPolarHBondContact O-CG2 3.34Å; F98-V102 PolarHBondContact O-N 3.44Å; F98-L128 HydrophobicContact CD1-CD2 3.58Å; F98-L128 HydrophobicContact CE1-CD2 3.52Å; F98-V131 HydrophobicContact CE1-CG2 3.73Å; F98-V131 HydrophobicContact CZ-CG2 4.24Å
99G93.3Very high91.2Very high6 Ų662 Ų626%0.06230%0.303CS..Hα-helixtrans-59.9-40.4175.200000112.7A95 S96 R103A95-G99 PolarHBondContact O-N 3.49Å; S96-G99 PolarHBondContact O-N 2.81Å; G99-R103 VanDerWaalsContact O-CB 3.29Å; G99-R103 WeakPolarHBondContact O-CB 3.14Å; G99-R103 PolarHBondContact O-N 2.63Å
100E92.7Very high90.7Very high80 Ų8062.2 Ų62.237%0.37430%0.304SS..Hα-helixtrans-64.2-41.2171.6-73.8176.7-16300113S96 F98 R103 R104S96-E100 WeakPolarHBondContact O-CG 3.14Å; S96-E100 PolarHBondContact O-N 3.17Å; F98-E100 VanDerWaalsContact C-N 3.32Å; F98-E100 PolarHBondContact O-N 2.02Å; E100-R103 PolarHBondContact O-N 3.05Å; E100-R104 WeakPolarHBondContact O-CG 3.29Å; E100-R104 PolarHBondContact O-N 3.04Å; E100-R104 IonicContact OE2-CZ 3.99Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.34Å
101F93.1Very high90.1Very high38 Ų3864 Ų6417%0.16731%0.31CS..Hα-helixtrans-59.7-49.6176.5176.5-88.4000111.2E57 H60 Q61 M64 K97 F98 R103 R104 H105E57-F101 HydrophobicContact CG-CE2 4.12Å; H60-F101 HydrophobicContact CB-CD1 3.67Å; H60-F101 HydrophobicContact CB-CD2 4.14Å; H60-F101 HydrophobicContact CB-CE1 3.8Å; H60-F101 HydrophobicContact CB-CE2 4.26Å; H60-F101 HydrophobicContact CB-CG 3.84Å; H60-F101 HydrophobicContact CB-CZ 4.09Å; Q61-F101 HydrophobicContact CB-CZ 4.26Å; M64-F101 HydrophobicContact CB-CE1 4.33Å; M64-F101 HydrophobicContact CE-CE1 3.95Å; M64-F101 HydrophobicContact SD-CD1 4.04Å; M64-F101 HydrophobicContact SD-CE1 3.69Å; K97-F101 WeakPolarHBondContact O-CB 3.35Å; K97-F101 PolarHBondContact O-N 3.24Å; F98-F101 WeakPolarHBondContact O-CB 3.47Å; F98-F101 PolarHBondContact O-N 2.8Å; F98-F101 VanDerWaalsContact O-N 3.11Å; F101-R103 VanDerWaalsContact C-N 3.3Å; F101-R103 PolarHBondContact O-N 3.07Å; F101-R104 PolarHBondContact O-N 3.28Å; F101-H105 PolarHBondContact O-N 2.63Å; F101-H105 VanDerWaalsContact O-N 3.09Å
102V92.8Very high89.1Confident0 Ų067.5 Ų67.50%034%0.338CS..Hα-helixtrans-60.5-42.4175.3175.20000110.6M64 F98 R104 H105 L106 L124 M127M64-V102 HydrophobicContact CB-CG2 4.23Å; M64-V102 HydrophobicContact CG-CG2 3.99Å; M64-V102 HydrophobicContact SD-CG2 4.24Å; F98-V102 HydrophobicContact CD1-CG2 4.47Å; F98-V102 HydrophobicContact CD2-CG2 4.2Å; F98-V102 HydrophobicContact CE1-CG2 4Å; F98-V102 HydrophobicContact CE2-CG2 3.69Å; F98-V102 HydrophobicContact CZ-CG2 3.58Å; F98-V102 WeakPolarHBondContact O-CG2 3.34Å; F98-V102 PolarHBondContact O-N 3.44Å; V102-R104 PolarHBondContact O-N 2.79Å; V102-H105 PolarHBondContact O-N 3.47Å; V102-L106 HydrophobicContact CG1-CD1 3.94Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.29Å; V102-L124 HydrophobicContact CB-CD1 3.99Å; V102-L124 HydrophobicContact CG1-CD1 3.56Å; V102-M127 HydrophobicContact CG1-CE 3.42Å; V102-M127 VanDerWaalsContact CG1-CE 3.42Å; V102-M127 HydrophobicContact CG1-SD 4.31Å
103R90.8Very high87.9Confident79 Ų7968.8 Ų68.830%0.29836%0.355SS..Hα-helixtrans-59.5-46.5179.1176.8-178.2-63.5123.2-2111.6G99 E100 F101 L106 Q107 Y120 E121 L124G99-R103 VanDerWaalsContact O-CB 3.29Å; G99-R103 WeakPolarHBondContact O-CB 3.14Å; G99-R103 PolarHBondContact O-N 2.63Å; E100-R103 PolarHBondContact O-N 3.05Å; F101-R103 VanDerWaalsContact C-N 3.3Å; F101-R103 PolarHBondContact O-N 3.07Å; R103-L106 PolarHBondContact O-N 2.98Å; R103-Q107 VanDerWaalsContact O-CG 3.29Å; R103-Q107 WeakPolarHBondContact O-CG 3.39Å; R103-Q107 PolarHBondContact O-N 3.09Å; R103-Q107 VanDerWaalsContact O-N 3.08Å; R103-Y120 WeakPolarHBondContact CA-OH 3.42Å; R103-Y120 HydrophobicContact CG-CE1 3.86Å; R103-Y120 VanDerWaalsContact CG-OH 3.3Å; R103-Y120 WeakPolarHBondContact CG-OH 3.19Å; R103-Y120 PolarHBondContact O-OH 3.29Å; R103-E121 IonicContact NE-OE1 3.93Å; R103-E121 IonicContact NH2-OE1 3.42Å; R103-E121 IonicContact NH2-OE2 2.81Å; R103-L124 HydrophobicContact CB-CD2 4.5Å
104R90.1Very high86.7Confident131 Ų13175.1 Ų75.149%0.49438%0.383SS..Hα-helixtrans-61-48.1177.7-69.1178.6-158.9113.38.6110.8E100 F101 V102 L106 Q107 D108E100-R104 WeakPolarHBondContact O-CG 3.29Å; E100-R104 PolarHBondContact O-N 3.04Å; E100-R104 IonicContact OE2-CZ 3.99Å; E100-R104 IonicContact OE2-NH2 3.78Å; E100-R104 PolarHBondContact OE2-NH2 3.34Å; F101-R104 PolarHBondContact O-N 3.28Å; V102-R104 PolarHBondContact O-N 2.79Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.22Å; R104-Q107 WeakPolarHBondContact O-CB 3.5Å; R104-Q107 PolarHBondContact O-N 2.93Å; R104-Q107 VanDerWaalsContact O-N 3.1Å; R104-D108 VanDerWaalsContact O-CG 3.32Å; R104-D108 PolarHBondContact O-N 3.16Å
105H90.5Very high85.5Confident46 Ų4671 Ų7121%0.21337%0.367CS..Hα-helixtrans-56.9-44.8178.6179.768.8000113M64 F101 V102 Q107 D108 E109M64-H105 HydrophobicContact CE-CB 4.09Å; M64-H105 WeakPolarHBondContact CE-CD2 3.21Å; M64-H105 VanDerWaalsContact CE-CG 3.45Å; M64-H105 HydrophobicContact SD-CB 3.62Å; M64-H105 PolarHBondContact SD-CD2 3.43Å; M64-H105 VanDerWaalsContact SD-CG 3.51Å; F101-H105 PolarHBondContact O-N 2.63Å; F101-H105 VanDerWaalsContact O-N 3.09Å; V102-H105 PolarHBondContact O-N 3.47Å; H105-Q107 VanDerWaalsContact C-N 3.34Å; H105-Q107 PolarHBondContact O-N 2.89Å; H105-D108 PolarHBondContact O-N 2.93Å; H105-E109 IonicContact CE1-OE1 3.95Å; H105-E109 WeakPolarHBondContact O-CG 3.36Å; H105-E109 PolarHBondContact O-N 3.49Å
106L89Confident84.5Confident0 Ų075 Ų750%038%0.378CS..Hα-helixtrans-67.2-33178.3-69.9177.5000113.1L68 L77 V102 R103 R104 D108 I110 Y120 F123 M127L68-L106 HydrophobicContact CD2-CD2 3.81Å; L77-L106 HydrophobicContact CD1-CD2 3.88Å; L77-L106 HydrophobicContact CD2-CD2 4.24Å; V102-L106 HydrophobicContact CG1-CD1 3.94Å; V102-L106 HydrophobicContact CG1-CG 4.25Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.29Å; R103-L106 PolarHBondContact O-N 2.98Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-L106 PolarHBondContact O-N 3.22Å; L106-D108 VanDerWaalsContact C-N 3.31Å; L106-I110 HydrophobicContact CD2-CD1 4.2Å; L106-I110 WeakPolarHBondContact O-CB 3.46Å; L106-I110 PolarHBondContact O-N 3.4Å; L106-Y120 HydrophobicContact CB-CE2 3.88Å; L106-Y120 WeakPolarHBondContact CB-OH 3.21Å; L106-Y120 HydrophobicContact CD1-CE2 4.3Å; L106-F123 HydrophobicContact CD1-CD1 3.87Å; L106-F123 HydrophobicContact CD1-CE1 3.72Å; L106-F123 HydrophobicContact CD2-CE1 3.81Å; L106-F123 HydrophobicContact CG-CE1 4.43Å; L106-M127 HydrophobicContact CD1-SD 4.25Å
107Q87.5Confident83.6Confident112 Ų11277.7 Ų77.752%0.52338%0.381SS..Hα-helixtrans-68.1-32.3174.6-73.4172.8-22.400112.3R103 R104 H105R103-Q107 VanDerWaalsContact O-CG 3.29Å; R103-Q107 WeakPolarHBondContact O-CG 3.39Å; R103-Q107 PolarHBondContact O-N 3.09Å; R103-Q107 VanDerWaalsContact O-N 3.08Å; R104-Q107 WeakPolarHBondContact O-CB 3.5Å; R104-Q107 PolarHBondContact O-N 2.93Å; R104-Q107 VanDerWaalsContact O-N 3.1Å; H105-Q107 VanDerWaalsContact C-N 3.34Å; H105-Q107 PolarHBondContact O-N 2.89Å
108D87.6Confident83Confident134 Ų13477.9 Ų77.972%0.71739%0.388SS*.Hα-helixtrans-75.5-39.9177.4-63.8-26.8000111.6R104 H105 L106R104-D108 VanDerWaalsContact O-CG 3.32Å; R104-D108 PolarHBondContact O-N 3.16Å; H105-D108 PolarHBondContact O-N 2.93Å; L106-D108 VanDerWaalsContact C-N 3.31Å
109E86.3Confident82.4Confident94 Ų9482.6 Ų82.644%0.43941%0.41SS..Hα-helixtrans-82.5-29.1-178.1-69.3-63.9151.600113.7L77 H105L77-E109 HydrophobicContact CD2-CB 4.08Å; H105-E109 IonicContact CE1-OE1 3.95Å; H105-E109 WeakPolarHBondContact O-CG 3.36Å; H105-E109 PolarHBondContact O-N 3.49Å
110I84.1Confident81.8Confident4 Ų483.1 Ų83.12%0.02141%0.41CS..SBendtrans-118.9116.4-175-44.4171.2000110.9F72 F75 L77 L106 A112 F115F72-I110 HydrophobicContact CD1-CD1 4.3Å; F75-I110 HydrophobicContact CB-CG1 4.29Å; F75-I110 HydrophobicContact CD1-CG2 4.45Å; F75-I110 HydrophobicContact CD2-CG1 4.4Å; F75-I110 HydrophobicContact CD2-CG2 3.69Å; F75-I110 HydrophobicContact CE1-CG2 4.36Å; F75-I110 HydrophobicContact CE2-CG2 3.57Å; F75-I110 HydrophobicContact CG-CG1 4.18Å; F75-I110 HydrophobicContact CG-CG2 4.14Å; F75-I110 HydrophobicContact CZ-CG2 3.93Å; L77-I110 HydrophobicContact CD1-CD1 4.42Å; L77-I110 HydrophobicContact CD2-CD1 4.04Å; L77-I110 HydrophobicContact CD2-CG1 4.07Å; L106-I110 HydrophobicContact CD2-CD1 4.2Å; L106-I110 WeakPolarHBondContact O-CB 3.46Å; L106-I110 PolarHBondContact O-N 3.4Å; I110-A112 PolarHBondContact O-N 2.6Å; I110-F115 HydrophobicContact CB-CD2 4.34Å; I110-F115 HydrophobicContact CB-CE2 3.75Å; I110-F115 HydrophobicContact CD1-CE2 3.52Å; I110-F115 HydrophobicContact CD1-CZ 3.83Å; I110-F115 HydrophobicContact CG1-CE2 4.22Å; I110-F115 HydrophobicContact CG2-CD2 3.73Å; I110-F115 HydrophobicContact CG2-CE2 3.28Å; I110-F115 HydrophobicContact CG2-CZ 4.39Å
111P78.1Confident81.5Confident67 Ų6782 Ų8244%0.43540%0.404SS..  trans-55.8127.4179.7-25.633.4000112.6F75 L113 K114F75-P111 VanDerWaalsContact CE1-CD 3.47Å; F75-P111 HydrophobicContact CE1-CG 4.26Å; F75-P111 HydrophobicContact CZ-CG 4.29Å; P111-L113 PolarHBondContact O-N 2.97Å; P111-K114 PolarHBondContact O-N 2.89Å
112A70.4Confident81.4Confident91 Ų9184.5 Ų84.575%0.75242%0.423SS*.G310 helixtrans-51.4-30.9-17700000114.2I110 K114 F115I110-A112 PolarHBondContact O-N 2.6Å; A112-K114 PolarHBondContact O-N 2.8Å; A112-K114 VanDerWaalsContact O-N 3.1Å; A112-F115 PolarHBondContact O-N 2.9Å
113L62.2Low81.2Confident179 Ų17984.7 Ų84.794%0.93742%0.424SS*.G310 helixtrans-64-11.9179.1-72.7164.8000114.4P111P111-L113 PolarHBondContact O-N 2.97Å
114K68.2Low81.2Confident138 Ų13881.1 Ų81.160%0.641%0.411SS*.G310 helixtrans-101.2-0.2-177.8-71.5-171.2-176.4-174.60114.8F75 P111 A112F75-K114 HydrophobicContact CE2-CD 3.57Å; F75-K114 HydrophobicContact CZ-CD 3.48Å; F75-K114 VanDerWaalsContact CZ-CD 3.48Å; F75-K114 VanDerWaalsContact CZ-NZ 3.27Å; P111-K114 PolarHBondContact O-N 2.89Å; A112-K114 PolarHBondContact O-N 2.8Å; A112-K114 VanDerWaalsContact O-N 3.1Å
115F66.4Low81.3Confident37 Ų3781.2 Ų81.216%0.16242%0.416CS..  trans-121.5124.4-179.3-85.8-79.4000112.9F72 I110 A112 Q119 Y120F72-F115 HydrophobicContact CD1-CE1 4.24Å; F72-F115 AromaticContact CD1-CZ 3.62Å; F72-F115 HydrophobicContact CD1-CZ 3.62Å; F72-F115 AromaticContact CE1-CE1 3.31Å; F72-F115 HydrophobicContact CE1-CE1 3.31Å; F72-F115 HydrophobicContact CE1-CE2 4.37Å; F72-F115 AromaticContact CE1-CZ 3.16Å; F72-F115 HydrophobicContact CE1-CZ 3.16Å; F72-F115 AromaticContact CZ-CE1 3.94Å; F72-F115 HydrophobicContact CZ-CE1 3.94Å; F72-F115 HydrophobicContact CZ-CZ 4.15Å; I110-F115 HydrophobicContact CB-CD2 4.34Å; I110-F115 HydrophobicContact CB-CE2 3.75Å; I110-F115 HydrophobicContact CD1-CE2 3.52Å; I110-F115 HydrophobicContact CD1-CZ 3.83Å; I110-F115 HydrophobicContact CG1-CE2 4.22Å; I110-F115 HydrophobicContact CG2-CD2 3.73Å; I110-F115 HydrophobicContact CG2-CE2 3.28Å; I110-F115 HydrophobicContact CG2-CZ 4.39Å; A112-F115 PolarHBondContact O-N 2.9Å; F115-Q119 HydrophobicContact CD1-CB 4.07Å; F115-Q119 HydrophobicContact CE1-CB 4.48Å; F115-Y120 HydrophobicContact CD1-CD2 4.39Å; F115-Y120 HydrophobicContact CD2-CD2 4.35Å; F115-Y120 HydrophobicContact CE1-CD2 4.47Å; F115-Y120 HydrophobicContact CE2-CD2 4.39Å; F115-Y120 HydrophobicContact CG-CD2 4.3Å; F115-Y120 HydrophobicContact CZ-CD2 4.45Å
116E70.4Confident81.5Confident137 Ų13783.3 Ų83.364%0.6443%0.426SS*.  trans-69.8134.8153.8-65.9-175.8177.600108.5N118 Q119 Y120E116-N118 PolarHBondContact O-N 3.24Å; E116-Q119 HydrophobicContact CB-CG 4.5Å; E116-Q119 PolarHBondContact O-N 2.75Å; E116-Y120 PolarHBondContact O-N 2.87Å
117H74.7Confident81.7Confident137 Ų13783.3 Ų83.363%0.63443%0.426SS*.Hα-helixtrans-49.4-35.7-175.4-17658.7000113.5Y120 E121H117-Y120 WeakPolarHBondContact O-CB 3.34Å; H117-Y120 PolarHBondContact O-N 2.67Å; H117-E121 PolarHBondContact O-N 3.47Å
118N80Confident82Confident123 Ų12380.7 Ų80.766%0.65842%0.415SS*.Hα-helixtrans-67.5-38.8179.3-68.1-12.4000113.5E116 Y120 V122E116-N118 PolarHBondContact O-N 3.24Å; N118-Y120 PolarHBondContact O-N 2.78Å; N118-V122 VanDerWaalsContact O-CG2 3.29Å; N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.79Å
119Q81.8Confident82.4Confident102 Ų10277.8 Ų77.848%0.47741%0.406SS..Hα-helixtrans-66.8-33.7178.6-68-179.4-15.400111.1F115 E116 F123F115-Q119 HydrophobicContact CD1-CB 4.07Å; F115-Q119 HydrophobicContact CE1-CB 4.48Å; E116-Q119 HydrophobicContact CB-CG 4.5Å; E116-Q119 PolarHBondContact O-N 2.75Å; Q119-F123 WeakPolarHBondContact O-CB 3.42Å; Q119-F123 PolarHBondContact O-N 3.37Å; Q119-F123 VanDerWaalsContact O-N 3.07Å
120Y82.3Confident82.9Confident17 Ų1774.5 Ų74.57%0.06739%0.389CS..Hα-helixtrans-65.9-48.8178.8-173.6-89.3000112.2R103 L106 F115 E116 H117 N118 F123 L124R103-Y120 WeakPolarHBondContact CA-OH 3.42Å; R103-Y120 HydrophobicContact CG-CE1 3.86Å; R103-Y120 VanDerWaalsContact CG-OH 3.3Å; R103-Y120 WeakPolarHBondContact CG-OH 3.19Å; R103-Y120 PolarHBondContact O-OH 3.29Å; L106-Y120 HydrophobicContact CB-CE2 3.88Å; L106-Y120 WeakPolarHBondContact CB-OH 3.21Å; L106-Y120 HydrophobicContact CD1-CE2 4.3Å; F115-Y120 HydrophobicContact CD1-CD2 4.39Å; F115-Y120 HydrophobicContact CD2-CD2 4.35Å; F115-Y120 HydrophobicContact CE1-CD2 4.47Å; F115-Y120 HydrophobicContact CE2-CD2 4.39Å; F115-Y120 HydrophobicContact CG-CD2 4.3Å; F115-Y120 HydrophobicContact CZ-CD2 4.45Å; E116-Y120 PolarHBondContact O-N 2.87Å; H117-Y120 WeakPolarHBondContact O-CB 3.34Å; H117-Y120 PolarHBondContact O-N 2.67Å; N118-Y120 PolarHBondContact O-N 2.78Å; Y120-F123 PolarHBondContact O-N 3.21Å; Y120-L124 PolarHBondContact O-N 3.29Å
121E86.1Confident83.6Confident55 Ų5575.2 Ų75.226%0.25739%0.394SS..Hα-helixtrans-67.3-38.9179.7-67.5-61140.400111.7R103 H117 F123 L124 E125R103-E121 IonicContact NE-OE1 3.93Å; R103-E121 IonicContact NH2-OE1 3.42Å; R103-E121 IonicContact NH2-OE2 2.81Å; H117-E121 PolarHBondContact O-N 3.47Å; E121-F123 VanDerWaalsContact C-N 3.32Å; E121-F123 PolarHBondContact O-N 3.4Å; E121-L124 PolarHBondContact O-N 3.01Å; E121-E125 WeakPolarHBondContact O-CB 3.27Å; E121-E125 WeakPolarHBondContact O-CG 3.23Å; E121-E125 PolarHBondContact O-N 2.75Å
122V89.4Confident84.5Confident91 Ų9173.6 Ų73.655%0.55238%0.381SS*.Hα-helixtrans-59.8-43.2173.8171.70000111.3N118 E125 E126N118-V122 VanDerWaalsContact O-CG2 3.29Å; N118-V122 WeakPolarHBondContact O-CG2 3.28Å; N118-V122 PolarHBondContact O-N 2.79Å; V122-E125 PolarHBondContact O-N 2.98Å; V122-E126 WeakPolarHBondContact O-CB 3.28Å; V122-E126 PolarHBondContact O-N 3Å
123F90.1Very high85.8Confident5 Ų572.3 Ų72.32%0.02236%0.36CS..Hα-helixtrans-65.9-41.3177.7177.5-121.1000112.3P69 F72 L77 L106 Q119 Y120 E121 E126 M127P69-F123 HydrophobicContact CG-CE2 3.82Å; P69-F123 HydrophobicContact CG-CZ 3.76Å; F72-F123 HydrophobicContact CB-CE1 4.48Å; F72-F123 HydrophobicContact CB-CE2 4.33Å; F72-F123 HydrophobicContact CB-CZ 3.97Å; F72-F123 HydrophobicContact CD1-CE1 4.43Å; F72-F123 HydrophobicContact CD2-CD1 4.39Å; F72-F123 AromaticContact CD2-CD2 3.42Å; F72-F123 HydrophobicContact CD2-CD2 3.42Å; F72-F123 VanDerWaalsContact CD2-CD2 3.42Å; F72-F123 HydrophobicContact CD2-CE1 4.22Å; F72-F123 AromaticContact CD2-CE2 3.24Å; F72-F123 HydrophobicContact CD2-CE2 3.24Å; F72-F123 HydrophobicContact CD2-CG 4.01Å; F72-F123 AromaticContact CD2-CZ 3.67Å; F72-F123 HydrophobicContact CD2-CZ 3.67Å; F72-F123 HydrophobicContact CE1-CG 4.48Å; F72-F123 HydrophobicContact CE2-CB 4.14Å; F72-F123 HydrophobicContact CE2-CD1 4.34Å; F72-F123 AromaticContact CE2-CD2 3.26Å; F72-F123 HydrophobicContact CE2-CD2 3.26Å; F72-F123 AromaticContact CE2-CE2 3.65Å; F72-F123 HydrophobicContact CE2-CE2 3.65Å; F72-F123 AromaticContact CE2-CG 3.65Å; F72-F123 HydrophobicContact CE2-CG 3.65Å; F72-F123 HydrophobicContact CE2-CZ 4.31Å; F72-F123 HydrophobicContact CG-CD1 4.46Å; F72-F123 HydrophobicContact CG-CD2 4.23Å; F72-F123 HydrophobicContact CG-CE1 4.1Å; F72-F123 AromaticContact CG-CE2 3.87Å; F72-F123 HydrophobicContact CG-CE2 3.87Å; F72-F123 AromaticContact CG-CZ 3.78Å; F72-F123 HydrophobicContact CG-CZ 3.78Å; F72-F123 HydrophobicContact CZ-CB 4.1Å; F72-F123 HydrophobicContact CZ-CD1 4.41Å; F72-F123 HydrophobicContact CZ-CD2 4.01Å; F72-F123 AromaticContact CZ-CG 3.91Å; F72-F123 HydrophobicContact CZ-CG 3.91Å; L77-F123 HydrophobicContact CD1-CE1 4.08Å; L77-F123 HydrophobicContact CD1-CZ 3.84Å; L106-F123 HydrophobicContact CD1-CD1 3.87Å; L106-F123 HydrophobicContact CD1-CE1 3.72Å; L106-F123 HydrophobicContact CD2-CE1 3.81Å; L106-F123 HydrophobicContact CG-CE1 4.43Å; Q119-F123 WeakPolarHBondContact O-CB 3.42Å; Q119-F123 PolarHBondContact O-N 3.37Å; Q119-F123 VanDerWaalsContact O-N 3.07Å; Y120-F123 PolarHBondContact O-N 3.21Å; E121-F123 VanDerWaalsContact C-N 3.32Å; E121-F123 PolarHBondContact O-N 3.4Å; F123-E126 PolarHBondContact O-N 2.91Å; F123-M127 HydrophobicContact CD1-SD 4.27Å; F123-M127 HydrophobicContact CD2-CG 4.49Å; F123-M127 HydrophobicContact CE1-SD 3.61Å; F123-M127 HydrophobicContact CE2-CG 4.05Å; F123-M127 HydrophobicContact CE2-SD 4.07Å; F123-M127 HydrophobicContact CZ-CG 4.09Å; F123-M127 HydrophobicContact CZ-SD 3.5Å; F123-M127 VanDerWaalsContact CZ-SD 3.5Å; F123-M127 WeakPolarHBondContact O-CG 3.17Å; F123-M127 PolarHBondContact O-N 3.31Å
124L90.5Very high87.5Confident4 Ų465.2 Ų65.22%0.02132%0.323CS..Hα-helixtrans-62.4-46.2175.6-177.662.4000111.1V102 R103 Y120 E121 E126 M127 L128V102-L124 HydrophobicContact CB-CD1 3.99Å; V102-L124 HydrophobicContact CG1-CD1 3.56Å; R103-L124 HydrophobicContact CB-CD2 4.5Å; Y120-L124 PolarHBondContact O-N 3.29Å; E121-L124 PolarHBondContact O-N 3.01Å; L124-E126 VanDerWaalsContact C-N 3.35Å; L124-E126 PolarHBondContact O-N 2.99Å; L124-M127 PolarHBondContact O-N 2.96Å; L124-L128 HydrophobicContact CD1-CD1 4.19Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.38Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.38Å; L124-L128 PolarHBondContact O-N 2.79Å
125E92.3Very high88.9Confident132 Ų13264.7 Ų64.762%0.61732%0.317SS*.Hα-helixtrans-59.1-44.8175.3-75.9-178.117700111.9E121 V122 M127 L128 S129E121-E125 WeakPolarHBondContact O-CB 3.27Å; E121-E125 WeakPolarHBondContact O-CG 3.23Å; E121-E125 PolarHBondContact O-N 2.75Å; V122-E125 PolarHBondContact O-N 2.98Å; E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 2.85Å; E125-L128 PolarHBondContact O-N 3.02Å; E125-S129 WeakPolarHBondContact O-CB 3.26Å; E125-S129 PolarHBondContact O-N 3.18Å
126E93.6Very high90.4Very high91 Ų9163 Ų6343%0.42531%0.31SS..Hα-helixtrans-58-45.8176.9-171.9-169.2147.300111.1V122 F123 L124 S129 R130V122-E126 WeakPolarHBondContact O-CB 3.28Å; V122-E126 PolarHBondContact O-N 3Å; F123-E126 PolarHBondContact O-N 2.91Å; L124-E126 VanDerWaalsContact C-N 3.35Å; L124-E126 PolarHBondContact O-N 2.99Å; E126-S129 PolarHBondContact O-N 3.02Å; E126-S129 PolarHBondContact O-OG 3.19Å; E126-R130 IonicContact OE1-CZ 2.81Å; E126-R130 IonicContact OE1-NH1 3.59Å; E126-R130 IonicContact OE1-NH2 3.58Å; E126-R130 PolarHBondContact OE1-NH2 3.36Å
127M93.7Very high91.4Very high0 Ų061.7 Ų61.70%030%0.303CS..Hα-helixtrans-66.3-45176.8-73.4179.946.400113.1V67 L68 V102 L106 F123 L124 E125 S129 R130V67-M127 HydrophobicContact CG2-CB 4.39Å; V67-M127 HydrophobicContact CG2-CE 3.98Å; L68-M127 HydrophobicContact CB-CE 4.3Å; L68-M127 HydrophobicContact CD2-CE 3.21Å; L68-M127 HydrophobicContact CD2-SD 3.39Å; L68-M127 WeakPolarHBondContact CD2-SD 3.32Å; L68-M127 HydrophobicContact CG-CE 3.45Å; L68-M127 VanDerWaalsContact CG-CE 3.45Å; L68-M127 HydrophobicContact CG-SD 4.23Å; V102-M127 HydrophobicContact CG1-CE 3.42Å; V102-M127 VanDerWaalsContact CG1-CE 3.42Å; V102-M127 HydrophobicContact CG1-SD 4.31Å; L106-M127 HydrophobicContact CD1-SD 4.25Å; F123-M127 HydrophobicContact CD1-SD 4.27Å; F123-M127 HydrophobicContact CD2-CG 4.49Å; F123-M127 HydrophobicContact CE1-SD 3.61Å; F123-M127 HydrophobicContact CE2-CG 4.05Å; F123-M127 HydrophobicContact CE2-SD 4.07Å; F123-M127 HydrophobicContact CZ-CG 4.09Å; F123-M127 HydrophobicContact CZ-SD 3.5Å; F123-M127 VanDerWaalsContact CZ-SD 3.5Å; F123-M127 WeakPolarHBondContact O-CG 3.17Å; F123-M127 PolarHBondContact O-N 3.31Å; L124-M127 PolarHBondContact O-N 2.96Å; E125-M127 VanDerWaalsContact C-N 3.33Å; E125-M127 PolarHBondContact O-N 2.85Å; M127-S129 PolarHBondContact O-N 2.74Å; M127-R130 WeakPolarHBondContact O-CB 3.42Å; M127-R130 PolarHBondContact O-N 3.17Å
128L94.9Very high92.2Very high56 Ų5656.3 Ų56.329%0.29328%0.279SS..Hα-helixtrans-64.3-30.7-179.6-68.9178.8000111.4F98 L124 E125 R130 V131F98-L128 HydrophobicContact CD1-CD2 3.58Å; F98-L128 HydrophobicContact CE1-CD2 3.52Å; L124-L128 HydrophobicContact CD1-CD1 4.19Å; L124-L128 HydrophobicContact CD1-CG 4.22Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.38Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.24Å; L124-L128 WeakPolarHBondContact O-CG 3.38Å; L124-L128 PolarHBondContact O-N 2.79Å; E125-L128 PolarHBondContact O-N 3.02Å; L128-R130 PolarHBondContact O-N 3.02Å; L128-R130 VanDerWaalsContact O-N 3.07Å; L128-V131 PolarHBondContact O-N 2.73Å
129S95.8Very high92.6Very high74 Ų7450.8 Ų50.852%0.51725%0.25SC..THydrogen-bonded Turntrans-61.2-15.4173.783.20000113.9E125 E126 M127E125-S129 WeakPolarHBondContact O-CB 3.26Å; E125-S129 PolarHBondContact O-N 3.18Å; E126-S129 PolarHBondContact O-N 3.02Å; E126-S129 PolarHBondContact O-OG 3.19Å; M127-S129 PolarHBondContact O-N 2.74Å
130R96.9Very high93Very high24 Ų2448.7 Ų48.79%0.09125%0.246CC..THydrogen-bonded Turntrans-88.3-8.9177.6-59.6-179.6-179.2110.410.8113.9V67 N81 H83 C84 E126 M127 L128V67-R130 HydrophobicContact CB-CB 3.91Å; V67-R130 HydrophobicContact CG1-CB 3.61Å; V67-R130 PolarHBondContact O-NH1 2.93Å; N81-R130 VanDerWaalsContact OD1-CZ 3.22Å; N81-R130 PolarHBondContact OD1-NE 2.8Å; N81-R130 PolarHBondContact OD1-NH2 3.28Å; H83-R130 VanDerWaalsContact CA-O 3.26Å; H83-R130 WeakPolarHBondContact CA-O 3.33Å; H83-R130 WeakPolarHBondContact CB-O 3.25Å; H83-R130 WeakPolarHBondContact ND1-CA 3.43Å; C84-R130 PolarHBondContact N-O 3.42Å; E126-R130 IonicContact OE1-CZ 2.81Å; E126-R130 IonicContact OE1-NH1 3.59Å; E126-R130 IonicContact OE1-NH2 3.58Å; E126-R130 PolarHBondContact OE1-NH2 3.36Å; M127-R130 WeakPolarHBondContact O-CB 3.42Å; M127-R130 PolarHBondContact O-N 3.17Å; L128-R130 PolarHBondContact O-N 3.02Å; L128-R130 VanDerWaalsContact O-N 3.07Å
131V97.8Very high93.6Very high19 Ų1951.3 Ų51.312%0.11526%0.259CS..EExtended strand (participates in β ladder)trans-95.8112.6176.2-175.10000109.8L63 V67 F98 L128 I133L63-V131 HydrophobicContact CD2-CG1 4.35Å; V67-V131 HydrophobicContact CB-CG2 4.47Å; V67-V131 HydrophobicContact CG1-CG2 3.56Å; V67-V131 HydrophobicContact CG2-CG2 4.28Å; F98-V131 HydrophobicContact CE1-CG2 3.73Å; F98-V131 HydrophobicContact CZ-CG2 4.24Å; L128-V131 PolarHBondContact O-N 2.73Å; V131-I133 HydrophobicContact CG1-CD1 4.22Å; V131-I133 HydrophobicContact CG1-CG1 3.87Å
132H97.9Very high94Very high34 Ų3448.7 Ų48.716%0.15725%0.246CC..EExtended strand (participates in β ladder)trans-97.9130.5175-59.4-71.9000109.4H83 C84 L85 L86 V152 H156H83-H132 AromaticContact CE1-NE2 3.95Å; H83-H132 AromaticContact CG-NE2 3.8Å; H83-H132 AromaticContact ND1-CD2 3.81Å; H83-H132 AromaticContact ND1-CE1 3.88Å; H83-H132 AromaticContact ND1-NE2 2.99Å; H83-H132 PolarHBondContact ND1-NE2 2.99Å; C84-H132 PolarHBondContact O-N 2.95Å; L85-H132 CarbonylContact C-O 3.59Å; L85-H132 HydrophobicContact CD1-CB 3.73Å; L86-H132 PolarHBondContact N-O 2.99Å; H132-V152 HydrophobicContact CB-CG1 3.86Å; H132-H156 AromaticContact CE1-CD2 3.22Å; H132-H156 PolarHBondContact CE1-CD2 3.14Å; H132-H156 AromaticContact CE1-CE1 3.77Å; H132-H156 AromaticContact CE1-CG 3.55Å; H132-H156 AromaticContact CE1-ND1 3.88Å; H132-H156 AromaticContact CE1-NE2 3.37Å; H132-H156 PolarHBondContact CE1-NE2 3.1Å; H132-H156 AromaticContact NE2-CD2 3.31Å; H132-H156 PolarHBondContact NE2-CD2 3.37Å; H132-H156 VanDerWaalsContact NE2-CD2 3.31Å; H132-H156 AromaticContact NE2-CG 3.26Å; H132-H156 VanDerWaalsContact NE2-CG 3.26Å; H132-H156 AromaticContact NE2-ND1 3.85Å; H132-H156 AromaticContact NE2-NE2 3.91Å
133I97.7Very high94.2Very high64 Ų6446.6 Ų46.633%0.32823%0.232SC..EExtended strand (participates in β ladder)trans-125.4123.1-174.1-52.1166.7000109.7L86 D88 F93 A95 V131 R135L86-I133 HydrophobicContact CB-CG1 4.39Å; L86-I133 HydrophobicContact CD2-CG1 4.41Å; L86-I133 HydrophobicContact CD2-CG2 4.34Å; L86-I133 CarbonylContact O-C 3.57Å; L86-I133 WeakPolarHBondContact O-CA 3.37Å; D88-I133 HydrophobicContact CB-CG2 4.23Å; F93-I133 HydrophobicContact CD1-CD1 3.75Å; F93-I133 HydrophobicContact CE1-CD1 3.41Å; F93-I133 VanDerWaalsContact CE1-CD1 3.41Å; F93-I133 HydrophobicContact CE1-CG1 4.38Å; F93-I133 HydrophobicContact CZ-CD1 4.45Å; A95-I133 HydrophobicContact CB-CD1 4.45Å; V131-I133 HydrophobicContact CG1-CD1 4.22Å; V131-I133 HydrophobicContact CG1-CG1 3.87Å; I133-R135 HydrophobicContact CG2-CG 4.35Å
134I98Very high94.4Very high30 Ų3052 Ų5215%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-112.3116.7169.2-56.2168.6000107.5L85 L86 I87 D88 V136 A145 Y148L85-I134 HydrophobicContact CD1-CD1 3.93Å; L85-I134 HydrophobicContact CD1-CG1 4.1Å; L86-I134 PolarHBondContact O-N 2.89Å; I87-I134 CarbonylContact C-O 3.57Å; I87-I134 WeakPolarHBondContact CA-O 3.46Å; D88-I134 PolarHBondContact N-O 3.41Å; I134-V136 HydrophobicContact CG2-CG1 4.13Å; I134-A145 HydrophobicContact CG2-CB 3.69Å; I134-Y148 HydrophobicContact CD1-CD1 3.81Å; I134-Y148 HydrophobicContact CD1-CE1 4.48Å; I134-Y148 HydrophobicContact CG1-CD1 4.45Å
135R97Very high94.7Very high127 Ų12752 Ų5248%0.47926%0.261SS..EExtended strand (participates in β ladder)trans-88.3135.4175.1-71.1179.4172.2159.4-1110D88 F93 I133 F137D88-R135 HydrophobicContact CB-CG 4.15Å; D88-R135 IonicContact OD2-NE 2.85Å; F93-R135 PolarHBondContact O-NH2 2.81Å; I133-R135 HydrophobicContact CG2-CG 4.35Å; R135-F137 HydrophobicContact CB-CE2 4.1Å; R135-F137 HydrophobicContact CB-CZ 4.29Å
136V96.5Very high94.9Very high2 Ų245.8 Ų45.81%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-135.4142.1178.5-57.40000110.1I87 D88 C89 G90 I134 E141 L142 A145I87-V136 HydrophobicContact CG2-CG1 4.16Å; I87-V136 HydrophobicContact CG2-CG2 3.83Å; D88-V136 PolarHBondContact O-N 2.82Å; D88-V136 VanDerWaalsContact O-N 3.11Å; C89-V136 CarbonylContact C-O 3.59Å; C89-V136 WeakPolarHBondContact CA-O 3.38Å; C89-V136 HydrophobicContact CB-CG2 4.01Å; C89-V136 WeakPolarHBondContact SG-CG2 3.38Å; G90-V136 PolarHBondContact N-O 3.13Å; I134-V136 HydrophobicContact CG2-CG1 4.13Å; V136-E141 WeakPolarHBondContact CA-OE2 3.48Å; V136-E141 HydrophobicContact CB-CB 3.91Å; V136-E141 HydrophobicContact CG1-CB 4.12Å; V136-L142 HydrophobicContact CG2-CB 4.29Å; V136-L142 HydrophobicContact CG2-CD1 4.21Å; V136-A145 HydrophobicContact CG1-CB 3.61Å
137F93.3Very high94.9Very high109 Ų10944.4 Ų44.448%0.47823%0.232SC..SBendtrans-122.3-6.7-176.2-59.6-83000112.7R135 E141R135-F137 HydrophobicContact CB-CE2 4.1Å; R135-F137 HydrophobicContact CB-CZ 4.29Å; F137-E141 PolarHBondContact N-OE2 2.83Å
138T90.7Very high94.9Very high24 Ų2450.9 Ų50.915%0.14726%0.258CS..SBendtrans-140.8162.2177.167.30000111.5C140 E141 L142T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 3.36Å; T138-E141 PolarHBondContact O-N 3.11Å; T138-E141 WeakPolarHBondContact OG1-CG 3.43Å; T138-E141 PolarHBondContact OG1-N 2.91Å; T138-E141 PolarHBondContact OG1-OE1 3.43Å; T138-L142 PolarHBondContact O-N 3.38Å
139D87.4Confident95Very high6 Ų648.2 Ų48.23%0.03224%0.244CC..Hα-helixtrans-61-36.2172.863.6-34.9000112.7L142 L143 F169 E173 R176 Y177D139-L142 PolarHBondContact O-N 2.87Å; D139-L143 PolarHBondContact O-N 3.47Å; D139-F169 HydrophobicContact CB-CD2 4.02Å; D139-F169 HydrophobicContact CB-CE2 3.79Å; D139-E173 HydrophobicContact CB-CG 4.15Å; D139-R176 IonicContact OD1-CZ 3.78Å; D139-R176 IonicContact OD1-NH1 2.67Å; D139-R176 PolarHBondContact OD1-NH1 3.34Å; D139-Y177 VanDerWaalsContact OD2-CE2 3.3Å; D139-Y177 WeakPolarHBondContact OD2-CE2 3.46Å; D139-Y177 PolarHBondContact OD2-OH 2.98Å
140C90Very high94.9Very high59 Ų5947.5 Ų47.540%0.39923%0.23SC..Hα-helixtrans-63.1-44.3172.7-66.90000112T138 L142 L143 L144 R176T138-C140 VanDerWaalsContact C-N 3.29Å; T138-C140 PolarHBondContact O-N 3.36Å; C140-L142 VanDerWaalsContact C-N 3.31Å; C140-L142 PolarHBondContact O-N 3.02Å; C140-L143 WeakPolarHBondContact O-CB 3.42Å; C140-L143 PolarHBondContact O-N 2.9Å; C140-L144 WeakPolarHBondContact O-CG 3.25Å; C140-L144 PolarHBondContact O-N 2.83Å; C140-L144 VanDerWaalsContact O-N 3.09Å; C140-R176 PolarHBondContact SG-NH1 3.47Å; C140-R176 VanDerWaalsContact SG-NH1 3.42Å
141E95.2Very high94.7Very high71 Ų7150.1 Ų50.133%0.33224%0.243SC..Hα-helixtrans-65-36.4174.9-75.3167.8-140.100111.7V136 F137 T138 L144 A145V136-E141 WeakPolarHBondContact CA-OE2 3.48Å; V136-E141 HydrophobicContact CB-CB 3.91Å; V136-E141 HydrophobicContact CG1-CB 4.12Å; F137-E141 PolarHBondContact N-OE2 2.83Å; T138-E141 PolarHBondContact O-N 3.11Å; T138-E141 WeakPolarHBondContact OG1-CG 3.43Å; T138-E141 PolarHBondContact OG1-N 2.91Å; T138-E141 PolarHBondContact OG1-OE1 3.43Å; E141-L144 PolarHBondContact O-N 2.98Å; E141-A145 WeakPolarHBondContact O-CB 3.26Å; E141-A145 PolarHBondContact O-N 2.84Å
142L95.2Very high94.6Very high0 Ų049.8 Ų49.80%024%0.241CC..Hα-helixtrans-62.9-42174.6-178.359.5000112I87 V136 T138 D139 C140 L144 A145 F146 M166 F169 L190I87-L142 HydrophobicContact CD1-CD1 4.45Å; I87-L142 HydrophobicContact CG2-CD1 3.63Å; V136-L142 HydrophobicContact CG2-CB 4.29Å; V136-L142 HydrophobicContact CG2-CD1 4.21Å; T138-L142 PolarHBondContact O-N 3.38Å; D139-L142 PolarHBondContact O-N 2.87Å; C140-L142 VanDerWaalsContact C-N 3.31Å; C140-L142 PolarHBondContact O-N 3.02Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.17Å; L142-A145 WeakPolarHBondContact O-CB 3.49Å; L142-A145 PolarHBondContact O-N 3.34Å; L142-F146 HydrophobicContact CD1-CD1 4.08Å; L142-F146 HydrophobicContact CD1-CE1 3.47Å; L142-F146 VanDerWaalsContact CD1-CE1 3.47Å; L142-F146 HydrophobicContact CD1-CZ 3.79Å; L142-F146 HydrophobicContact CD2-CZ 4.29Å; L142-F146 HydrophobicContact CG-CE1 4.1Å; L142-F146 HydrophobicContact CG-CE2 4.44Å; L142-F146 HydrophobicContact CG-CZ 3.99Å; L142-F146 PolarHBondContact O-N 3.25Å; L142-M166 HydrophobicContact CD2-CE 3.9Å; L142-M166 HydrophobicContact CD2-CG 4.43Å; L142-F169 HydrophobicContact CB-CZ 4.28Å; L142-F169 HydrophobicContact CD2-CE1 4.24Å; L142-F169 HydrophobicContact CD2-CZ 3.56Å; L142-L190 HydrophobicContact CD2-CD1 4.46Å; L142-L190 HydrophobicContact CD2-CD2 3.72Å; L142-L190 HydrophobicContact CG-CD1 4.16Å; L142-L190 HydrophobicContact CG-CD2 4.31Å
143L92.8Very high94.4Very high47 Ų4748.1 Ų48.125%0.24623%0.233CC..Hα-helixtrans-60.3-43.3174177.963.7000112.1D139 C140 F146 S147 L190 I193D139-L143 PolarHBondContact O-N 3.47Å; C140-L143 WeakPolarHBondContact O-CB 3.42Å; C140-L143 PolarHBondContact O-N 2.9Å; L143-F146 PolarHBondContact O-N 3.32Å; L143-S147 PolarHBondContact O-N 3.45Å; L143-S147 PolarHBondContact O-OG 3.16Å; L143-S147 VanDerWaalsContact O-OG 3.08Å; L143-L190 HydrophobicContact CB-CD1 4.21Å; L143-L190 HydrophobicContact CD1-CD1 4.27Å; L143-I193 HydrophobicContact CD1-CD1 3.29Å
144L95.5Very high94.1Very high120 Ų12048.8 Ų48.863%0.62823%0.234SC*.Hα-helixtrans-65.5-40.4175-68.7174.1000111.4C140 E141 L142 F146 S147 Y148C140-L144 WeakPolarHBondContact O-CG 3.25Å; C140-L144 PolarHBondContact O-N 2.83Å; C140-L144 VanDerWaalsContact O-N 3.09Å; E141-L144 PolarHBondContact O-N 2.98Å; L142-L144 VanDerWaalsContact C-N 3.33Å; L142-L144 PolarHBondContact O-N 3.17Å; L144-F146 VanDerWaalsContact C-N 3.35Å; L144-F146 PolarHBondContact O-N 2.82Å; L144-S147 WeakPolarHBondContact O-CB 3.5Å; L144-S147 PolarHBondContact O-N 3.18Å; L144-S147 VanDerWaalsContact O-N 3.14Å; L144-Y148 WeakPolarHBondContact O-CB 3.48Å; L144-Y148 PolarHBondContact O-N 2.99Å
145A97.5Very high93.8Very high4 Ų453.8 Ų53.83%0.03326%0.256CS..Hα-helixtrans-61.1-41.5176.900000111.7I87 I134 V136 E141 L142 S147 Y148 S149I87-A145 HydrophobicContact CD1-CB 4.35Å; I87-A145 HydrophobicContact CG2-CB 4.5Å; I134-A145 HydrophobicContact CG2-CB 3.69Å; V136-A145 HydrophobicContact CG1-CB 3.61Å; E141-A145 WeakPolarHBondContact O-CB 3.26Å; E141-A145 PolarHBondContact O-N 2.84Å; L142-A145 WeakPolarHBondContact O-CB 3.49Å; L142-A145 PolarHBondContact O-N 3.34Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.08Å; A145-Y148 PolarHBondContact O-N 3.04Å; A145-S149 VanDerWaalsContact O-CB 3.32Å; A145-S149 WeakPolarHBondContact O-CB 3.33Å; A145-S149 PolarHBondContact O-N 2.77Å; A145-S149 PolarHBondContact O-OG 2.93Å
146F95.9Very high93.6Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-62.9-38.2174.2-70.6-7000112.8I87 L142 L143 L144 S149 I163 L190 I193 L194I87-F146 HydrophobicContact CD1-CD1 3.56Å; I87-F146 HydrophobicContact CD1-CE1 3.56Å; L142-F146 HydrophobicContact CD1-CD1 4.08Å; L142-F146 HydrophobicContact CD1-CE1 3.47Å; L142-F146 VanDerWaalsContact CD1-CE1 3.47Å; L142-F146 HydrophobicContact CD1-CZ 3.79Å; L142-F146 HydrophobicContact CD2-CZ 4.29Å; L142-F146 HydrophobicContact CG-CE1 4.1Å; L142-F146 HydrophobicContact CG-CE2 4.44Å; L142-F146 HydrophobicContact CG-CZ 3.99Å; L142-F146 PolarHBondContact O-N 3.25Å; L143-F146 PolarHBondContact O-N 3.32Å; L144-F146 VanDerWaalsContact C-N 3.35Å; L144-F146 PolarHBondContact O-N 2.82Å; F146-S149 WeakPolarHBondContact O-CB 3.41Å; F146-I163 HydrophobicContact CE1-CD1 3.54Å; F146-I163 HydrophobicContact CZ-CD1 3.64Å; F146-L190 HydrophobicContact CD2-CD1 3.46Å; F146-L190 VanDerWaalsContact CD2-CD1 3.46Å; F146-L190 HydrophobicContact CD2-CG 4.17Å; F146-L190 HydrophobicContact CE2-CD1 3.33Å; F146-L190 HydrophobicContact CE2-CD2 4.43Å; F146-L190 HydrophobicContact CE2-CG 3.59Å; F146-L190 HydrophobicContact CG-CD1 4.49Å; F146-L190 HydrophobicContact CZ-CD1 4.26Å; F146-L190 HydrophobicContact CZ-CG 4.45Å; F146-I193 HydrophobicContact CB-CG2 3.94Å; F146-I193 HydrophobicContact CD2-CG2 4.32Å; F146-L194 HydrophobicContact CD2-CB 4.17Å; F146-L194 HydrophobicContact CE1-CD1 4.15Å; F146-L194 HydrophobicContact CE2-CB 3.68Å; F146-L194 HydrophobicContact CE2-CD1 4.33Å; F146-L194 HydrophobicContact CE2-CD2 4.39Å; F146-L194 HydrophobicContact CE2-CG 4.34Å; F146-L194 HydrophobicContact CZ-CB 4.14Å; F146-L194 HydrophobicContact CZ-CD1 4Å; F146-L194 HydrophobicContact CZ-CD2 4.09Å; F146-L194 HydrophobicContact CZ-CG 4.3Å
147S92.6Very high93.4Very high62 Ų6252.1 Ų52.143%0.43426%0.257SS..Hα-helixtrans-66.5-46.7176.7-56.90000110.8L143 L144 A145 S149 R150L143-S147 PolarHBondContact O-N 3.45Å; L143-S147 PolarHBondContact O-OG 3.16Å; L143-S147 VanDerWaalsContact O-OG 3.08Å; L144-S147 WeakPolarHBondContact O-CB 3.5Å; L144-S147 PolarHBondContact O-N 3.18Å; L144-S147 VanDerWaalsContact O-N 3.14Å; A145-S147 VanDerWaalsContact C-N 3.31Å; A145-S147 PolarHBondContact O-N 3.08Å; S147-S149 PolarHBondContact O-N 2.86Å; S147-R150 WeakPolarHBondContact O-CB 3.49Å; S147-R150 PolarHBondContact O-N 2.95Å
148Y95.4Very high93.6Very high137 Ų13747 Ų4754%0.53724%0.235SC..Hα-helixtrans-69.4-30.1178.7-175.5-105.7000113.3I134 L144 A145 R150 E151 V152I134-Y148 HydrophobicContact CD1-CD1 3.81Å; I134-Y148 HydrophobicContact CD1-CE1 4.48Å; I134-Y148 HydrophobicContact CG1-CD1 4.45Å; L144-Y148 WeakPolarHBondContact O-CB 3.48Å; L144-Y148 PolarHBondContact O-N 2.99Å; A145-Y148 PolarHBondContact O-N 3.04Å; Y148-R150 PolarHBondContact O-N 2.97Å; Y148-E151 WeakPolarHBondContact O-CB 3.29Å; Y148-E151 PolarHBondContact O-N 2.78Å; Y148-V152 HydrophobicContact CD1-CG2 4.1Å; Y148-V152 HydrophobicContact CE1-CG2 3.7Å; Y148-V152 PolarHBondContact O-N 3.24Å
149S96.7Very high93.8Very high0 Ų046 Ų460%023%0.229CC..Hα-helixtrans-52.9-33.6176.9-65.60000111.6L85 A145 F146 S147 E151 V152 I153L85-S149 WeakPolarHBondContact CD2-OG 3.43Å; A145-S149 VanDerWaalsContact O-CB 3.32Å; A145-S149 WeakPolarHBondContact O-CB 3.33Å; A145-S149 PolarHBondContact O-N 2.77Å; A145-S149 PolarHBondContact O-OG 2.93Å; F146-S149 WeakPolarHBondContact O-CB 3.41Å; S147-S149 PolarHBondContact O-N 2.86Å; S149-E151 VanDerWaalsContact C-N 3.25Å; S149-E151 PolarHBondContact O-N 3.36Å; S149-V152 PolarHBondContact O-N 2.79Å; S149-I153 WeakPolarHBondContact O-CB 3.5Å; S149-I153 VanDerWaalsContact O-CD1 3.26Å; S149-I153 WeakPolarHBondContact O-CD1 3.43Å; S149-I153 WeakPolarHBondContact O-CG1 3.48Å; S149-I153 PolarHBondContact O-N 3.38Å
150R93.4Very high94.3Very high59 Ų5945.8 Ų45.822%0.22323%0.228CC..Hα-helixtrans-55.9-40.2175.3-65.4-171.2168.9-102.4-6.2112.2S147 Y148 K154 L197 D200 F201S147-R150 WeakPolarHBondContact O-CB 3.49Å; S147-R150 PolarHBondContact O-N 2.95Å; Y148-R150 PolarHBondContact O-N 2.97Å; R150-K154 WeakPolarHBondContact O-CB 3.43Å; R150-K154 WeakPolarHBondContact O-CG 3.29Å; R150-K154 PolarHBondContact O-N 2.85Å; R150-L197 HydrophobicContact CG-CD1 3.53Å; R150-D200 IonicContact CZ-OD2 3.91Å; R150-D200 IonicContact NH1-OD2 3.69Å; R150-D200 PolarHBondContact NH1-OD2 3.01Å; R150-D200 IonicContact NH2-OD2 3.01Å; R150-D200 PolarHBondContact NH2-OD2 3.11Å; R150-F201 HydrophobicContact CB-CE2 4.39Å; R150-F201 HydrophobicContact CB-CZ 4.42Å; R150-F201 HydrophobicContact CG-CE2 4Å; R150-F201 HydrophobicContact CG-CZ 4.48Å
151E92.8Very high94.6Very high78 Ų7843 Ų4336%0.36421%0.209SC..Hα-helixtrans-71.4-42.8-179-60.3-50.5124.500111.6Y148 S149 I153 K154 Q155Y148-E151 WeakPolarHBondContact O-CB 3.29Å; Y148-E151 PolarHBondContact O-N 2.78Å; S149-E151 VanDerWaalsContact C-N 3.25Å; S149-E151 PolarHBondContact O-N 3.36Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 3.21Å; E151-K154 PolarHBondContact O-N 2.8Å; E151-K154 IonicContact OE1-NZ 3.67Å; E151-K154 PolarHBondContact OE1-NZ 3.37Å; E151-K154 IonicContact OE2-NZ 3.92Å; E151-Q155 WeakPolarHBondContact O-CG 3.5Å; E151-Q155 PolarHBondContact O-N 3.36Å; E151-Q155 VanDerWaalsContact O-N 3.17Å
152V94.7Very high94.7Very high12 Ų1239.6 Ų39.67%0.07319%0.193CC..Hα-helixtrans-59.6-46.8174.2-178.50000110.8L85 H132 Y148 S149 K154 Q155 H156L85-V152 HydrophobicContact CD1-CG1 4.31Å; H132-V152 HydrophobicContact CB-CG1 3.86Å; Y148-V152 HydrophobicContact CD1-CG2 4.1Å; Y148-V152 HydrophobicContact CE1-CG2 3.7Å; Y148-V152 PolarHBondContact O-N 3.24Å; S149-V152 PolarHBondContact O-N 2.79Å; V152-K154 VanDerWaalsContact C-N 3.29Å; V152-K154 PolarHBondContact O-N 2.84Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-Q155 VanDerWaalsContact O-N 3.14Å; V152-H156 PolarHBondContact O-CD2 2.73Å; V152-H156 PolarHBondContact O-N 3.22Å
153I94.5Very high94.8Very high0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-68.1-27.7-179.1-65.1159.5000111.9Q19 R21 L85 S149 E151 H156 V158 L197 F201 L203Q19-I153 PolarHBondContact NE2-O 2.8Å; Q19-I153 PolarHBondContact OE1-O 2.8Å; R21-I153 PolarHBondContact NH2-O 2.78Å; L85-I153 HydrophobicContact CD2-CD1 4.27Å; L85-I153 HydrophobicContact CD2-CG1 4.27Å; S149-I153 WeakPolarHBondContact O-CB 3.5Å; S149-I153 VanDerWaalsContact O-CD1 3.26Å; S149-I153 WeakPolarHBondContact O-CD1 3.43Å; S149-I153 WeakPolarHBondContact O-CG1 3.48Å; S149-I153 PolarHBondContact O-N 3.38Å; E151-I153 VanDerWaalsContact C-N 3.34Å; E151-I153 PolarHBondContact O-N 3.21Å; I153-H156 CarbonylContact C-O 3.51Å; I153-V158 HydrophobicContact CG1-CB 4.05Å; I153-V158 HydrophobicContact CG1-CG1 4.24Å; I153-V158 HydrophobicContact CG1-CG2 4.28Å; I153-L197 HydrophobicContact CD1-CD1 3.92Å; I153-L197 HydrophobicContact CD1-CD2 4.18Å; I153-L197 HydrophobicContact CD1-CG 4.14Å; I153-F201 HydrophobicContact CB-CD1 4.38Å; I153-F201 HydrophobicContact CB-CE1 4.48Å; I153-F201 HydrophobicContact CG2-CB 3.89Å; I153-F201 HydrophobicContact CG2-CD1 3.3Å; I153-F201 HydrophobicContact CG2-CD2 4.25Å; I153-F201 HydrophobicContact CG2-CE1 3.77Å; I153-F201 HydrophobicContact CG2-CG 3.54Å; I153-F201 HydrophobicContact CG2-CZ 4.42Å; I153-L203 HydrophobicContact CD1-CD1 3.74Å
154K90.7Very high94.8Very high78 Ų7837.5 Ų37.534%0.33918%0.182SC..Hα-helixtrans-73.2-28.2173.2-76.1170-176.11710112.9L15 Q19 R150 E151 V152 F201L15-K154 HydrophobicContact CD1-CG 4.15Å; Q19-K154 VanDerWaalsContact NE2-C 3.31Å; Q19-K154 PolarHBondContact NE2-O 3.43Å; R150-K154 WeakPolarHBondContact O-CB 3.43Å; R150-K154 WeakPolarHBondContact O-CG 3.29Å; R150-K154 PolarHBondContact O-N 2.85Å; E151-K154 PolarHBondContact O-N 2.8Å; E151-K154 IonicContact OE1-NZ 3.67Å; E151-K154 PolarHBondContact OE1-NZ 3.37Å; E151-K154 IonicContact OE2-NZ 3.92Å; V152-K154 VanDerWaalsContact C-N 3.29Å; V152-K154 PolarHBondContact O-N 2.84Å; K154-F201 HydrophobicContact CG-CE1 4.37Å; K154-F201 HydrophobicContact CG-CZ 4.46Å
155Q91.6Very high94.5Very high134 Ų13431.9 Ų31.963%0.62615%0.153SC*.Hα-helixtrans-90-25.2-177.9-68.5174.65.500112.7E151 V152E151-Q155 WeakPolarHBondContact O-CG 3.5Å; E151-Q155 PolarHBondContact O-N 3.36Å; E151-Q155 VanDerWaalsContact O-N 3.17Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-Q155 VanDerWaalsContact O-N 3.14Å
156H93.5Very high94.1Very high55 Ų5532.1 Ų32.126%0.25515%0.154SC..SBendtrans-130.2146.8-175-55.8-69.1000111.7Q19 H83 H132 V152 I153 V158Q19-H156 PolarHBondContact OE1-O 3Å; H83-H156 HydrophobicContact CB-CB 4.31Å; H83-H156 AromaticContact CE1-ND1 3.98Å; H132-H156 AromaticContact CE1-CD2 3.22Å; H132-H156 PolarHBondContact CE1-CD2 3.14Å; H132-H156 AromaticContact CE1-CE1 3.77Å; H132-H156 AromaticContact CE1-CG 3.55Å; H132-H156 AromaticContact CE1-ND1 3.88Å; H132-H156 AromaticContact CE1-NE2 3.37Å; H132-H156 PolarHBondContact CE1-NE2 3.1Å; H132-H156 AromaticContact NE2-CD2 3.31Å; H132-H156 PolarHBondContact NE2-CD2 3.37Å; H132-H156 VanDerWaalsContact NE2-CD2 3.31Å; H132-H156 AromaticContact NE2-CG 3.26Å; H132-H156 VanDerWaalsContact NE2-CG 3.26Å; H132-H156 AromaticContact NE2-ND1 3.85Å; H132-H156 AromaticContact NE2-NE2 3.91Å; V152-H156 PolarHBondContact O-CD2 2.73Å; V152-H156 PolarHBondContact O-N 3.22Å; I153-H156 CarbonylContact C-O 3.51Å; H156-V158 HydrophobicContact CB-CG2 4.07Å; H156-V158 PolarHBondContact O-N 3.4Å
157P93.1Very high93.7Very high40 Ų4033.6 Ų33.626%0.2616%0.162SC..  trans-75.369.4175.331.9-33.5000110.4R21 T82 H83R21-P157 HydrophobicContact CG-CB 3.89Å; T82-P157 PolarHBondContact OG1-O 3.01Å; H83-P157 PolarHBondContact N-O 2.93Å
158V95.7Very high93.3Very high0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-76.5123.8176.1178.70000108.6R21 H83 L85 I153 H156 C160 L203R21-V158 PolarHBondContact NH1-O 3.41Å; H83-V158 HydrophobicContact CB-CB 4.46Å; H83-V158 HydrophobicContact CB-CG2 3.82Å; H83-V158 WeakPolarHBondContact O-CA 3.38Å; L85-V158 HydrophobicContact CB-CG1 3.9Å; I153-V158 HydrophobicContact CG1-CB 4.05Å; I153-V158 HydrophobicContact CG1-CG1 4.24Å; I153-V158 HydrophobicContact CG1-CG2 4.28Å; H156-V158 HydrophobicContact CB-CG2 4.07Å; H156-V158 PolarHBondContact O-N 3.4Å; V158-C160 VanDerWaalsContact CG1-O 3.22Å; V158-C160 WeakPolarHBondContact CG1-O 3.5Å; V158-L203 HydrophobicContact CG1-CD2 4.28Å; V158-L203 VanDerWaalsContact O-CD2 3.22Å; V158-L203 WeakPolarHBondContact O-CD2 3.14Å
159S95.5Very high92.7Very high5 Ų526.8 Ų26.84%0.03514%0.137CC..EExtended strand (participates in β ladder)trans-110.4-20.2177.2-48.90000112.2P22 I24 T82 H83 L204P22-S159 PolarHBondContact O-OG 3.48Å; I24-S159 WeakPolarHBondContact CD1-O 3.34Å; T82-S159 VanDerWaalsContact OG1-CB 3.25Å; T82-S159 WeakPolarHBondContact OG1-CB 3.4Å; T82-S159 PolarHBondContact OG1-N 3.12Å; T82-S159 PolarHBondContact OG1-OG 2.87Å; H83-S159 PolarHBondContact O-N 2.84Å; S159-L204 PolarHBondContact O-N 3.3Å
160C97.3Very high91.9Very high0 Ų028.2 Ų28.20%015%0.145CC..EExtended strand (participates in β ladder)trans-122.6135.2178.1-162.10000112I24 C84 L85 V158 M162 L204I24-C160 HydrophobicContact CD1-CB 3.45Å; I24-C160 VanDerWaalsContact CD1-CB 3.45Å; C84-C160 HydrophobicContact CB-CB 4.47Å; L85-C160 PolarHBondContact N-O 2.94Å; V158-C160 VanDerWaalsContact CG1-O 3.22Å; V158-C160 WeakPolarHBondContact CG1-O 3.5Å; C160-M162 VanDerWaalsContact SG-CE 3.6Å; C160-L204 WeakPolarHBondContact CA-O 3.3Å; C160-L204 PolarHBondContact SG-O 2.76Å; C160-L204 VanDerWaalsContact SG-O 3.37Å
161L97.8Very high91.2Very high0 Ų033.2 Ų33.20%017%0.165CC..EExtended strand (participates in β ladder)trans-113.5115.3166.8172.360.8000109L85 I87 I163 L194 L197 L203 L204 C205 I206L85-L161 HydrophobicContact CB-CD1 4.16Å; L85-L161 HydrophobicContact CD2-CD1 4.05Å; L85-L161 HydrophobicContact CG-CD1 3.89Å; L85-L161 CarbonylContact O-C 3.57Å; L85-L161 WeakPolarHBondContact O-CA 3.4Å; I87-L161 HydrophobicContact CD1-CD1 3.94Å; I87-L161 HydrophobicContact CG1-CD1 4.11Å; L161-I163 HydrophobicContact CD1-CG1 4.47Å; L161-I163 HydrophobicContact CG-CG1 4.35Å; L161-L194 HydrophobicContact CD2-CD1 3.56Å; L161-L197 HydrophobicContact CD2-CD2 3.79Å; L161-L203 HydrophobicContact CB-CD1 4.18Å; L161-L204 PolarHBondContact N-O 2.85Å; L161-C205 VanDerWaalsContact O-CA 3.27Å; L161-C205 WeakPolarHBondContact O-CA 3.44Å; L161-I206 PolarHBondContact O-N 3.24Å
162M97.5Very high90.6Very high1 Ų133.7 Ų33.71%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-107.2132.6174.6-63.2-174.7-175.900109.9L27 L59 K62 L63 L85 L86 I87 C160 I206L27-M162 HydrophobicContact CD2-CE 4.18Å; L59-M162 HydrophobicContact CD1-CB 4.36Å; L59-M162 HydrophobicContact CD1-SD 3.76Å; K62-M162 HydrophobicContact CB-CE 3.54Å; K62-M162 HydrophobicContact CB-SD 4.41Å; L63-M162 HydrophobicContact CD2-SD 3.71Å; L63-M162 HydrophobicContact CG-SD 3.79Å; L85-M162 PolarHBondContact O-N 2.82Å; L86-M162 CarbonylContact C-O 3.5Å; L86-M162 WeakPolarHBondContact CA-O 3.38Å; L86-M162 HydrophobicContact CD1-CB 3.98Å; I87-M162 PolarHBondContact N-O 3.46Å; C160-M162 VanDerWaalsContact SG-CE 3.6Å; M162-I206 CarbonylContact C-O 3.59Å; M162-I206 VanDerWaalsContact CA-O 3.3Å; M162-I206 WeakPolarHBondContact CA-O 2.99Å; M162-I206 HydrophobicContact CE-CD1 4.12Å; M162-I206 HydrophobicContact CG-CB 4.37Å
163I96.1Very high90Very high0 Ų033.2 Ų33.20%017%0.167CC..EExtended strand (participates in β ladder)trans-117.4107174.9-52.8178000107I87 F146 L161 M166 L194 I206 I207 I208I87-I163 HydrophobicContact CB-CG1 4.3Å; I87-I163 HydrophobicContact CB-CG2 4.33Å; I87-I163 HydrophobicContact CD1-CG1 4.37Å; I87-I163 HydrophobicContact CG2-CG2 4.42Å; I87-I163 CarbonylContact O-C 3.54Å; I87-I163 WeakPolarHBondContact O-CA 3.04Å; F146-I163 HydrophobicContact CE1-CD1 3.54Å; F146-I163 HydrophobicContact CZ-CD1 3.64Å; L161-I163 HydrophobicContact CD1-CG1 4.47Å; L161-I163 HydrophobicContact CG-CG1 4.35Å; I163-M166 HydrophobicContact CG2-CB 3.95Å; I163-M166 HydrophobicContact CG2-CG 4.29Å; I163-M166 HydrophobicContact CG2-SD 4.28Å; I163-L194 HydrophobicContact CD1-CD1 3.97Å; I163-L194 HydrophobicContact CD1-CD2 3.89Å; I163-I206 PolarHBondContact N-O 2.98Å; I163-I207 HydrophobicContact CB-CG1 4.29Å; I163-I207 HydrophobicContact CD1-CG1 4.14Å; I163-I208 PolarHBondContact O-N 3.34Å
164S93.7Very high89.1Confident2 Ų237.3 Ų37.31%0.01418%0.182CC..EExtended strand (participates in β ladder)trans-84.9135.2-178.7172.60000110.8I87 C89 M166I87-S164 PolarHBondContact O-N 2.81Å; C89-S164 WeakPolarHBondContact CB-O 3.36Å; C89-S164 PolarHBondContact N-O 3.31Å; C89-S164 VanDerWaalsContact N-O 3.12Å; S164-M166 PolarHBondContact O-N 3.11Å
165A89.4Confident88.7Confident3 Ų339.1 Ų39.13%0.02520%0.195CC..  trans50.351.9174.200000113.3C89 N167 A168 I208 R210C89-A165 VanDerWaalsContact CB-O 3.25Å; C89-A165 WeakPolarHBondContact CB-O 3.44Å; A165-N167 PolarHBondContact O-N 2.86Å; A165-A168 HydrophobicContact CB-CB 4.23Å; A165-A168 WeakPolarHBondContact O-CB 3.22Å; A165-A168 PolarHBondContact O-N 3.14Å; A165-I208 CarbonylContact C-O 3.57Å; A165-I208 WeakPolarHBondContact CA-O 3.49Å; A165-I208 PolarHBondContact N-O 2.92Å; A165-R210 HydrophobicContact CB-CG 4.34Å
166M87.9Confident88.3Confident8 Ų838.5 Ų38.54%0.03919%0.187CC..THydrogen-bonded Turntrans-59.4-23.2-173.1179.4163.5-178.100114.3L142 I163 S164 A168 F169 L190 M191 I207 I208 M209L142-M166 HydrophobicContact CD2-CE 3.9Å; L142-M166 HydrophobicContact CD2-CG 4.43Å; I163-M166 HydrophobicContact CG2-CB 3.95Å; I163-M166 HydrophobicContact CG2-CG 4.29Å; I163-M166 HydrophobicContact CG2-SD 4.28Å; S164-M166 PolarHBondContact O-N 3.11Å; M166-A168 VanDerWaalsContact C-N 3.33Å; M166-F169 WeakPolarHBondContact O-CZ 3.42Å; M166-L190 HydrophobicContact CE-CD2 3.76Å; M166-M191 HydrophobicContact CE-CE 3.12Å; M166-M191 HydrophobicContact SD-CE 3.95Å; M166-I207 HydrophobicContact CB-CG2 3.59Å; M166-I207 HydrophobicContact CG-CG2 4.21Å; M166-I207 HydrophobicContact SD-CD1 3.76Å; M166-I207 HydrophobicContact SD-CG1 4.28Å; M166-I207 HydrophobicContact SD-CG2 3.71Å; M166-I208 PolarHBondContact N-O 2.74Å; M166-M209 HydrophobicContact CB-CE 4.32Å; M166-M209 HydrophobicContact CB-SD 3.77Å; M166-M209 HydrophobicContact CG-SD 4.48Å
167N86.8Confident87.8Confident31 Ų3138 Ų3817%0.16618%0.183CC..THydrogen-bonded Turntrans-86.710.7172.459-16.8000114.9A165 F169 T170 M209 R210 W244A165-N167 PolarHBondContact O-N 2.86Å; N167-F169 PolarHBondContact O-N 2.81Å; N167-F169 VanDerWaalsContact O-N 3.07Å; N167-T170 WeakPolarHBondContact CA-OG1 3.27Å; N167-T170 WeakPolarHBondContact CB-OG1 3.22Å; N167-T170 WeakPolarHBondContact O-CB 3.3Å; N167-T170 PolarHBondContact O-N 3.11Å; N167-T170 VanDerWaalsContact O-N 3.13Å; N167-T170 PolarHBondContact O-OG1 3.2Å; N167-T170 VanDerWaalsContact O-OG1 3.08Å; N167-M209 HydrophobicContact CB-CE 3.36Å; N167-M209 VanDerWaalsContact CG-CE 3.41Å; N167-R210 PolarHBondContact ND2-O 2.92Å; N167-R210 PolarHBondContact OD1-N 2.89Å; N167-R210 VanDerWaalsContact OD1-N 3.1Å; N167-W244 HydrophobicContact CB-CH2 4.16Å
168A85.4Confident87.3Confident50 Ų5044.1 Ų44.141%0.41321%0.214SC..THydrogen-bonded Turntrans-58.6-26.1-17600000113.9C89 A165 M166C89-A168 HydrophobicContact CB-CB 4.13Å; A165-A168 HydrophobicContact CB-CB 4.23Å; A165-A168 WeakPolarHBondContact O-CB 3.22Å; A165-A168 PolarHBondContact O-N 3.14Å; M166-A168 VanDerWaalsContact C-N 3.33Å
169F82.9Confident86.7Confident7 Ų746.8 Ų46.83%0.03123%0.232CC..THydrogen-bonded Turntrans-110.613.1-178.746.3-100.7000113.3C89 D139 L142 M166 N167 Y171 L172 E173C89-F169 HydrophobicContact CB-CD1 4.49Å; C89-F169 HydrophobicContact CB-CE1 4Å; D139-F169 HydrophobicContact CB-CD2 4.02Å; D139-F169 HydrophobicContact CB-CE2 3.79Å; L142-F169 HydrophobicContact CB-CZ 4.28Å; L142-F169 HydrophobicContact CD2-CE1 4.24Å; L142-F169 HydrophobicContact CD2-CZ 3.56Å; M166-F169 WeakPolarHBondContact O-CZ 3.42Å; N167-F169 PolarHBondContact O-N 2.81Å; N167-F169 VanDerWaalsContact O-N 3.07Å; F169-Y171 PolarHBondContact O-N 3.31Å; F169-Y171 VanDerWaalsContact O-N 3.14Å; F169-L172 HydrophobicContact CB-CB 4.46Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CA 3.47Å; F169-L172 WeakPolarHBondContact O-CB 3.45Å; F169-L172 PolarHBondContact O-N 3.42Å; F169-E173 HydrophobicContact CD2-CG 3.82Å; F169-E173 HydrophobicContact CE2-CG 4.4Å; F169-E173 VanDerWaalsContact CE2-OE1 3.26Å; F169-E173 WeakPolarHBondContact CE2-OE1 3.35Å; F169-E173 PolarHBondContact O-N 3.45Å
170T80.2Confident85.9Confident29 Ų2954.6 Ų54.618%0.17826%0.261CS..Hα-helixtrans-55.3-35.1179.6-62.80000113.1N167 E173 R174N167-T170 WeakPolarHBondContact CA-OG1 3.27Å; N167-T170 WeakPolarHBondContact CB-OG1 3.22Å; N167-T170 WeakPolarHBondContact O-CB 3.3Å; N167-T170 PolarHBondContact O-N 3.11Å; N167-T170 VanDerWaalsContact O-N 3.13Å; N167-T170 PolarHBondContact O-OG1 3.2Å; N167-T170 VanDerWaalsContact O-OG1 3.08Å; T170-E173 WeakPolarHBondContact CA-OE2 3.43Å; T170-E173 PolarHBondContact O-N 3.19Å; T170-R174 WeakPolarHBondContact O-CG 3.43Å; T170-R174 PolarHBondContact O-N 3.01Å; T170-R174 VanDerWaalsContact O-N 3.08Å
171Y77.5Confident85.2Confident164 Ų16463.1 Ų63.164%0.64330%0.298SS*.Hα-helixtrans-64.6-44.4174-177.9-100.6000112.4F169 E173 R174 L175F169-Y171 PolarHBondContact O-N 3.31Å; F169-Y171 VanDerWaalsContact O-N 3.14Å; Y171-E173 VanDerWaalsContact C-N 3.35Å; Y171-E173 PolarHBondContact O-N 3.43Å; Y171-R174 PolarHBondContact O-N 2.93Å; Y171-L175 HydrophobicContact CD1-CD1 4.1Å; Y171-L175 HydrophobicContact CE1-CD1 3.53Å; Y171-L175 HydrophobicContact CE1-CG 4.31Å; Y171-L175 PolarHBondContact O-N 3.01Å
172L81Confident84.6Confident88 Ų8865 Ų6546%0.46131%0.311SS..Hα-helixtrans-65.6-38.3177.3-68.5174.6000111.8F169 L175 R176F169-L172 HydrophobicContact CB-CB 4.46Å; F169-L172 HydrophobicContact CB-CD1 4.36Å; F169-L172 WeakPolarHBondContact O-CA 3.47Å; F169-L172 WeakPolarHBondContact O-CB 3.45Å; F169-L172 PolarHBondContact O-N 3.42Å; L172-L175 PolarHBondContact O-N 3.25Å; L172-R176 WeakPolarHBondContact O-CB 3.21Å; L172-R176 PolarHBondContact O-N 3.36Å
173E81.9Confident83.9Confident3 Ų365.3 Ų65.31%0.01431%0.313CS..Hα-helixtrans-58.6-47.4173.9-70176.7142.900111.1D139 F169 T170 Y171 L175 R176 Y177 L183 H187D139-E173 HydrophobicContact CB-CG 4.15Å; F169-E173 HydrophobicContact CD2-CG 3.82Å; F169-E173 HydrophobicContact CE2-CG 4.4Å; F169-E173 VanDerWaalsContact CE2-OE1 3.26Å; F169-E173 WeakPolarHBondContact CE2-OE1 3.35Å; F169-E173 PolarHBondContact O-N 3.45Å; T170-E173 WeakPolarHBondContact CA-OE2 3.43Å; T170-E173 PolarHBondContact O-N 3.19Å; Y171-E173 VanDerWaalsContact C-N 3.35Å; Y171-E173 PolarHBondContact O-N 3.43Å; E173-L175 PolarHBondContact O-N 3.25Å; E173-R176 PolarHBondContact O-N 2.65Å; E173-Y177 HydrophobicContact CB-CD2 4.19Å; E173-Y177 HydrophobicContact CB-CE2 4.31Å; E173-Y177 HydrophobicContact CG-CE2 4.4Å; E173-Y177 WeakPolarHBondContact O-CD2 3.12Å; E173-Y177 PolarHBondContact O-N 3.42Å; E173-L183 HydrophobicContact CB-CD1 3.82Å; E173-L183 HydrophobicContact CG-CD1 4.22Å; E173-H187 VanDerWaalsContact CD-NE2 3.33Å; E173-H187 IonicContact OE1-CD2 3.7Å; E173-H187 IonicContact OE1-CE1 2.77Å; E173-H187 IonicContact OE1-NE2 2.71Å; E173-H187 PolarHBondContact OE1-NE2 2.98Å; E173-H187 IonicContact OE2-CE1 3.3Å; E173-H187 IonicContact OE2-NE2 3.43Å; E173-H187 PolarHBondContact OE2-NE2 2.61Å
174R76.7Confident83.3Confident86 Ų8668.1 Ų68.133%0.32533%0.33SS..Hα-helixtrans-59.2-32.2178.6-73.2175.7-177.2177.43.8113.1T170 Y171 W180 E238T170-R174 WeakPolarHBondContact O-CG 3.43Å; T170-R174 PolarHBondContact O-N 3.01Å; T170-R174 VanDerWaalsContact O-N 3.08Å; Y171-R174 PolarHBondContact O-N 2.93Å; R174-W180 HydrophobicContact CG-CH2 4.22Å; R174-E238 IonicContact NH1-OE1 3.6Å
175L82.2Confident82.9Confident116 Ų11671.2 Ų71.261%0.60735%0.351SS*.Hα-helixtrans-78.4-29.4175.8-65178.2000113Y171 L172 E173Y171-L175 HydrophobicContact CD1-CD1 4.1Å; Y171-L175 HydrophobicContact CE1-CD1 3.53Å; Y171-L175 HydrophobicContact CE1-CG 4.31Å; Y171-L175 PolarHBondContact O-N 3.01Å; L172-L175 PolarHBondContact O-N 3.25Å; E173-L175 PolarHBondContact O-N 3.25Å
176R82.6Confident82.8Confident120 Ų12072.9 Ų72.945%0.45336%0.359SS..Hα-helixtrans-84.2-35.7-175.4-178.7177.2-74.1175.7-6113D139 C140 L172 E173D139-R176 IonicContact OD1-CZ 3.78Å; D139-R176 IonicContact OD1-NH1 2.67Å; D139-R176 PolarHBondContact OD1-NH1 3.34Å; C140-R176 PolarHBondContact SG-NH1 3.47Å; C140-R176 VanDerWaalsContact SG-NH1 3.42Å; L172-R176 WeakPolarHBondContact O-CB 3.21Å; L172-R176 PolarHBondContact O-N 3.36Å; E173-R176 PolarHBondContact O-N 2.65Å
177Y82.3Confident82.7Confident46 Ų4673.6 Ų73.618%0.1836%0.362CS..  trans-94.6119.3-175.6-68.5-76.8000111.6D139 E173 S179 L183 Q186D139-Y177 VanDerWaalsContact OD2-CE2 3.3Å; D139-Y177 WeakPolarHBondContact OD2-CE2 3.46Å; D139-Y177 PolarHBondContact OD2-OH 2.98Å; E173-Y177 HydrophobicContact CB-CD2 4.19Å; E173-Y177 HydrophobicContact CB-CE2 4.31Å; E173-Y177 HydrophobicContact CG-CE2 4.4Å; E173-Y177 WeakPolarHBondContact O-CD2 3.12Å; E173-Y177 PolarHBondContact O-N 3.42Å; Y177-S179 PolarHBondContact O-N 3.17Å; Y177-L183 HydrophobicContact CD2-CB 4.22Å; Y177-L183 HydrophobicContact CD2-CD1 3.63Å; Y177-L183 HydrophobicContact CD2-CG 4.47Å; Y177-L183 HydrophobicContact CE2-CD1 3.84Å; Y177-L183 HydrophobicContact CG-CB 4.15Å; Y177-L183 HydrophobicContact CG-CD1 4.38Å; Y177-Q186 HydrophobicContact CE1-CB 4.24Å; Y177-Q186 VanDerWaalsContact OH-CG 3.32Å; Y177-Q186 WeakPolarHBondContact OH-CG 3.41Å
178N81.8Confident82.8Confident168 Ų16873.8 Ų73.890%0.89837%0.365SS*.SBendtrans-65.8-10.4179.1-62.1-18.5000113.9
179S83.5Confident83Confident55 Ų5575.4 Ų75.439%0.38537%0.366SS..SBendtrans-151.8152.2177.875.70000112.4Y177 K181 S182 L183Y177-S179 PolarHBondContact O-N 3.17Å; S179-K181 PolarHBondContact O-N 3.46Å; S179-S182 PolarHBondContact N-OG 2.87Å; S179-S182 PolarHBondContact O-N 2.96Å; S179-S182 PolarHBondContact O-OG 2.69Å; S179-S182 PolarHBondContact OG-N 3.1Å; S179-S182 VanDerWaalsContact OG-N 3.09Å; S179-S182 PolarHBondContact OG-OG 2.77Å; S179-L183 PolarHBondContact O-N 3.17Å
180W78.9Confident83.4Confident169 Ų16975.2 Ų75.264%0.6437%0.366SS*.Hα-helixtrans-59.4-35.4169.9-73.8108000112.7R174 S182 L183 V184R174-W180 HydrophobicContact CG-CH2 4.22Å; W180-S182 VanDerWaalsContact C-N 3.34Å; W180-S182 PolarHBondContact O-N 3.34Å; W180-L183 HydrophobicContact CE3-CD2 3.91Å; W180-L183 HydrophobicContact CZ3-CD2 3.75Å; W180-L183 PolarHBondContact O-N 3.34Å; W180-V184 WeakPolarHBondContact O-CB 3.33Å; W180-V184 VanDerWaalsContact O-CG2 3.31Å; W180-V184 WeakPolarHBondContact O-CG2 3.11Å; W180-V184 PolarHBondContact O-N 3.34Å
181K83.5Confident84Confident180 Ų18074 Ų7478%0.78336%0.358SS*.Hα-helixtrans-62.2-40.6178.6-171.6178.8179.7-178.70111.9S179 S185S179-K181 PolarHBondContact O-N 3.46Å; K181-S185 WeakPolarHBondContact O-CB 3.25Å; K181-S185 PolarHBondContact O-N 3.38Å
182S84.3Confident84.7Confident40 Ų4067.3 Ų67.328%0.2834%0.339SS..Hα-helixtrans-67.3-40.7175.944.30000112.4S179 W180 S185 Q186S179-S182 PolarHBondContact N-OG 2.87Å; S179-S182 PolarHBondContact O-N 2.96Å; S179-S182 PolarHBondContact O-OG 2.69Å; S179-S182 PolarHBondContact OG-N 3.1Å; S179-S182 VanDerWaalsContact OG-N 3.09Å; S179-S182 PolarHBondContact OG-OG 2.77Å; W180-S182 VanDerWaalsContact C-N 3.34Å; W180-S182 PolarHBondContact O-N 3.34Å; S182-S185 PolarHBondContact O-N 3.06Å; S182-Q186 PolarHBondContact O-N 3.23Å
183L83.8Confident85.3Confident7 Ų765 Ų654%0.03733%0.326CS..Hα-helixtrans-62.7-48.5176.7178.657.2000111.3E173 Y177 S179 W180 S185 Q186 H187E173-L183 HydrophobicContact CB-CD1 3.82Å; E173-L183 HydrophobicContact CG-CD1 4.22Å; Y177-L183 HydrophobicContact CD2-CB 4.22Å; Y177-L183 HydrophobicContact CD2-CD1 3.63Å; Y177-L183 HydrophobicContact CD2-CG 4.47Å; Y177-L183 HydrophobicContact CE2-CD1 3.84Å; Y177-L183 HydrophobicContact CG-CB 4.15Å; Y177-L183 HydrophobicContact CG-CD1 4.38Å; S179-L183 PolarHBondContact O-N 3.17Å; W180-L183 HydrophobicContact CE3-CD2 3.91Å; W180-L183 HydrophobicContact CZ3-CD2 3.75Å; W180-L183 PolarHBondContact O-N 3.34Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 2.87Å; L183-Q186 WeakPolarHBondContact O-CB 3.34Å; L183-Q186 PolarHBondContact O-N 2.98Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; L183-H187 WeakPolarHBondContact CD1-NE2 3.14Å; L183-H187 PolarHBondContact O-N 3.38Å
184V83.5Confident86Confident59 Ų5964.8 Ų64.836%0.35833%0.326SS..Hα-helixtrans-57.8-42.2176163.20000112W180 Q186 H187 S188 D243W180-V184 WeakPolarHBondContact O-CB 3.33Å; W180-V184 VanDerWaalsContact O-CG2 3.31Å; W180-V184 WeakPolarHBondContact O-CG2 3.11Å; W180-V184 PolarHBondContact O-N 3.34Å; V184-Q186 VanDerWaalsContact C-N 3.35Å; V184-H187 PolarHBondContact O-N 2.81Å; V184-S188 WeakPolarHBondContact O-CB 3.47Å; V184-S188 PolarHBondContact O-N 3.06Å; V184-S188 PolarHBondContact O-OG 3.44Å; V184-D243 VanDerWaalsContact CG1-OD2 3.27Å; V184-D243 WeakPolarHBondContact CG1-OD2 3.19Å
185S85.6Confident86.9Confident66 Ų6663.3 Ų63.346%0.46232%0.324SS..Hα-helixtrans-62.5-43.2176.1-172.10000111.5K181 S182 L183 S188 I189K181-S185 WeakPolarHBondContact O-CB 3.25Å; K181-S185 PolarHBondContact O-N 3.38Å; S182-S185 PolarHBondContact O-N 3.06Å; L183-S185 VanDerWaalsContact C-N 3.3Å; L183-S185 PolarHBondContact O-N 2.87Å; S185-S188 PolarHBondContact O-N 2.91Å; S185-I189 WeakPolarHBondContact O-CG1 3.1Å; S185-I189 PolarHBondContact O-N 3.07Å; S185-I189 VanDerWaalsContact O-N 3.09Å
186Q85.8Confident87.4Confident38 Ų3865.7 Ų65.718%0.17833%0.325CS..Hα-helixtrans-64.6-46.8177.9-177.571.1-10.400111.6Y177 S182 L183 V184 S188 I189 L190Y177-Q186 HydrophobicContact CE1-CB 4.24Å; Y177-Q186 VanDerWaalsContact OH-CG 3.32Å; Y177-Q186 WeakPolarHBondContact OH-CG 3.41Å; S182-Q186 PolarHBondContact O-N 3.23Å; L183-Q186 WeakPolarHBondContact O-CB 3.34Å; L183-Q186 PolarHBondContact O-N 2.98Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; V184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 3.44Å; Q186-I189 PolarHBondContact O-N 3.29Å; Q186-I189 VanDerWaalsContact O-N 3.15Å; Q186-L190 WeakPolarHBondContact O-CB 3.4Å; Q186-L190 PolarHBondContact O-N 3.5Å
187H87.5Confident88Confident24 Ų2460 Ų6011%0.11130%0.303CS..Hα-helixtrans-59.9-39176.7-72.2174.6000111.9E173 L183 V184 I189 L190 M191E173-H187 VanDerWaalsContact CD-NE2 3.33Å; E173-H187 IonicContact OE1-CD2 3.7Å; E173-H187 IonicContact OE1-CE1 2.77Å; E173-H187 IonicContact OE1-NE2 2.71Å; E173-H187 PolarHBondContact OE1-NE2 2.98Å; E173-H187 IonicContact OE2-CE1 3.3Å; E173-H187 IonicContact OE2-NE2 3.43Å; E173-H187 PolarHBondContact OE2-NE2 2.61Å; L183-H187 WeakPolarHBondContact CD1-NE2 3.14Å; L183-H187 PolarHBondContact O-N 3.38Å; V184-H187 PolarHBondContact O-N 2.81Å; H187-I189 PolarHBondContact O-N 3.3Å; H187-L190 PolarHBondContact O-N 2.76Å; H187-M191 WeakPolarHBondContact O-CB 3.27Å; H187-M191 VanDerWaalsContact O-CG 3.24Å; H187-M191 WeakPolarHBondContact O-CG 3.17Å; H187-M191 PolarHBondContact O-N 3.17Å
188S88.6Confident88.6Confident34 Ų3457.9 Ų57.924%0.23830%0.295CS..Hα-helixtrans-63.7-39.3175.5-66.60000112.5V184 S185 Q186 G192V184-S188 WeakPolarHBondContact O-CB 3.47Å; V184-S188 PolarHBondContact O-N 3.06Å; V184-S188 PolarHBondContact O-OG 3.44Å; S185-S188 PolarHBondContact O-N 2.91Å; Q186-S188 VanDerWaalsContact C-N 3.28Å; Q186-S188 PolarHBondContact O-N 3.44Å; S188-G192 PolarHBondContact O-N 3.07Å
189I89.4Confident89.1Confident85 Ų8552.3 Ų52.344%0.43627%0.272SS..Hα-helixtrans-65.1-48.8174.5-68.2164.7000110.2S185 Q186 H187 M191 G192 I193S185-I189 WeakPolarHBondContact O-CG1 3.1Å; S185-I189 PolarHBondContact O-N 3.07Å; S185-I189 VanDerWaalsContact O-N 3.09Å; Q186-I189 PolarHBondContact O-N 3.29Å; Q186-I189 VanDerWaalsContact O-N 3.15Å; H187-I189 PolarHBondContact O-N 3.3Å; I189-M191 VanDerWaalsContact C-N 3.34Å; I189-M191 PolarHBondContact O-N 3.47Å; I189-G192 PolarHBondContact O-N 3.03Å; I189-G192 VanDerWaalsContact O-N 3.14Å; I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 WeakPolarHBondContact O-CG1 3.49Å; I189-I193 PolarHBondContact O-N 3.35Å
190L90.8Very high89.5Confident3 Ų351.1 Ų51.12%0.01626%0.262CS..Hα-helixtrans-57.5-47.1179.8-176.369.1000111.3L142 L143 F146 M166 Q186 H187 I193 L194L142-L190 HydrophobicContact CD2-CD1 4.46Å; L142-L190 HydrophobicContact CD2-CD2 3.72Å; L142-L190 HydrophobicContact CG-CD1 4.16Å; L142-L190 HydrophobicContact CG-CD2 4.31Å; L143-L190 HydrophobicContact CB-CD1 4.21Å; L143-L190 HydrophobicContact CD1-CD1 4.27Å; F146-L190 HydrophobicContact CD2-CD1 3.46Å; F146-L190 VanDerWaalsContact CD2-CD1 3.46Å; F146-L190 HydrophobicContact CD2-CG 4.17Å; F146-L190 HydrophobicContact CE2-CD1 3.33Å; F146-L190 HydrophobicContact CE2-CD2 4.43Å; F146-L190 HydrophobicContact CE2-CG 3.59Å; F146-L190 HydrophobicContact CG-CD1 4.49Å; F146-L190 HydrophobicContact CZ-CD1 4.26Å; F146-L190 HydrophobicContact CZ-CG 4.45Å; M166-L190 HydrophobicContact CE-CD2 3.76Å; Q186-L190 WeakPolarHBondContact O-CB 3.4Å; Q186-L190 PolarHBondContact O-N 3.5Å; H187-L190 PolarHBondContact O-N 2.76Å; L190-I193 PolarHBondContact O-N 3.43Å; L190-L194 PolarHBondContact O-N 2.99Å
191M92Very high90.2Very high3 Ų343.1 Ų43.12%0.01523%0.231CC..Hα-helixtrans-63.9-40.9174.8-73.1-65.9116.100112.3L44 M166 H187 I189 I193 L194 L195 I207 W244 Y247L44-M191 HydrophobicContact CD2-SD 4.4Å; M166-M191 HydrophobicContact CE-CE 3.12Å; M166-M191 HydrophobicContact SD-CE 3.95Å; H187-M191 WeakPolarHBondContact O-CB 3.27Å; H187-M191 VanDerWaalsContact O-CG 3.24Å; H187-M191 WeakPolarHBondContact O-CG 3.17Å; H187-M191 PolarHBondContact O-N 3.17Å; I189-M191 VanDerWaalsContact C-N 3.34Å; I189-M191 PolarHBondContact O-N 3.47Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 2.87Å; M191-L194 HydrophobicContact CE-CD2 3.97Å; M191-L194 PolarHBondContact O-N 3.1Å; M191-L194 HydrophobicContact SD-CD2 4.31Å; M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.41Å; M191-L195 PolarHBondContact O-N 3.07Å; M191-I207 HydrophobicContact CE-CD1 4.46Å; M191-W244 HydrophobicContact CG-CB 4.38Å; M191-W244 HydrophobicContact SD-CB 4.13Å; M191-Y247 HydrophobicContact CB-CD2 3.56Å; M191-Y247 HydrophobicContact CB-CE2 3.43Å; M191-Y247 VanDerWaalsContact CB-CE2 3.43Å; M191-Y247 HydrophobicContact CB-CG 4.21Å; M191-Y247 HydrophobicContact CG-CD2 3.5Å; M191-Y247 HydrophobicContact CG-CE2 3.62Å; M191-Y247 HydrophobicContact CG-CG 4.42Å; M191-Y247 HydrophobicContact SD-CD2 4.1Å
192G93Very high90.6Very high24 Ų2438.7 Ų38.725%0.24721%0.214CC..Hα-helixtrans-58.9-38175.200000112.7S188 I189 R196S188-G192 PolarHBondContact O-N 3.07Å; I189-G192 PolarHBondContact O-N 3.03Å; I189-G192 VanDerWaalsContact O-N 3.14Å; G192-R196 VanDerWaalsContact O-CG 3.29Å; G192-R196 WeakPolarHBondContact O-CG 3.33Å; G192-R196 PolarHBondContact O-N 2.75Å
193I94.1Very high91.1Very high38 Ų3836.8 Ų36.820%0.19520%0.2CC..Hα-helixtrans-71.2-45175.9-65.9165.9000110.8L143 F146 I189 L190 M191 R196 L197L143-I193 HydrophobicContact CD1-CD1 3.29Å; F146-I193 HydrophobicContact CB-CG2 3.94Å; F146-I193 HydrophobicContact CD2-CG2 4.32Å; I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 WeakPolarHBondContact O-CG1 3.49Å; I189-I193 PolarHBondContact O-N 3.35Å; L190-I193 PolarHBondContact O-N 3.43Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 2.87Å; I193-R196 PolarHBondContact O-N 3.19Å; I193-L197 PolarHBondContact O-N 2.83Å
194L95.4Very high91.7Very high0 Ų036.5 Ų36.50%020%0.199CC..Hα-helixtrans-59.6-47.8177.7179.958.8000111.9L44 F146 L161 I163 L190 M191 R196 L197 I198 I207L44-L194 HydrophobicContact CD1-CD2 4.18Å; F146-L194 HydrophobicContact CD2-CB 4.17Å; F146-L194 HydrophobicContact CE1-CD1 4.15Å; F146-L194 HydrophobicContact CE2-CB 3.68Å; F146-L194 HydrophobicContact CE2-CD1 4.33Å; F146-L194 HydrophobicContact CE2-CD2 4.39Å; F146-L194 HydrophobicContact CE2-CG 4.34Å; F146-L194 HydrophobicContact CZ-CB 4.14Å; F146-L194 HydrophobicContact CZ-CD1 4Å; F146-L194 HydrophobicContact CZ-CD2 4.09Å; F146-L194 HydrophobicContact CZ-CG 4.3Å; L161-L194 HydrophobicContact CD2-CD1 3.56Å; I163-L194 HydrophobicContact CD1-CD1 3.97Å; I163-L194 HydrophobicContact CD1-CD2 3.89Å; L190-L194 PolarHBondContact O-N 2.99Å; M191-L194 HydrophobicContact CE-CD2 3.97Å; M191-L194 PolarHBondContact O-N 3.1Å; M191-L194 HydrophobicContact SD-CD2 4.31Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.95Å; L194-L197 WeakPolarHBondContact O-CA 3.41Å; L194-L197 WeakPolarHBondContact O-CB 3.29Å; L194-L197 PolarHBondContact O-N 3.08Å; L194-I198 HydrophobicContact CD1-CD1 4.2Å; L194-I198 HydrophobicContact CD1-CG1 4.39Å; L194-I198 HydrophobicContact CG-CD1 3.91Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 3.13Å; L194-I207 HydrophobicContact CD2-CD1 3.86Å
195L95.5Very high92.4Very high54 Ų5433.7 Ų33.728%0.28318%0.182SC..Hα-helixtrans-63-36.7179.3-69.5174.3000112.2M191 I198 A199 Y247M191-L195 WeakPolarHBondContact O-CB 3.4Å; M191-L195 VanDerWaalsContact O-CG 3.27Å; M191-L195 WeakPolarHBondContact O-CG 3.41Å; M191-L195 PolarHBondContact O-N 3.07Å; L195-I198 HydrophobicContact CD2-CD1 4.35Å; L195-I198 PolarHBondContact O-N 2.86Å; L195-A199 WeakPolarHBondContact O-CB 3.38Å; L195-A199 PolarHBondContact O-N 2.86Å; L195-Y247 HydrophobicContact CD1-CD1 3.47Å; L195-Y247 VanDerWaalsContact CD1-CD1 3.47Å; L195-Y247 HydrophobicContact CD1-CE1 4.07Å; L195-Y247 HydrophobicContact CD1-CG 4Å
196R93.8Very high92.9Very high166 Ų16630.6 Ų30.663%0.62616%0.16SC*.Hα-helixtrans-64.6-42.8171.2-73.5175.8-166.1170.64.8111.5G192 I193 L194 I198 A199 D200G192-R196 VanDerWaalsContact O-CG 3.29Å; G192-R196 WeakPolarHBondContact O-CG 3.33Å; G192-R196 PolarHBondContact O-N 2.75Å; I193-R196 PolarHBondContact O-N 3.19Å; L194-R196 VanDerWaalsContact C-N 3.3Å; L194-R196 PolarHBondContact O-N 2.95Å; R196-I198 VanDerWaalsContact C-N 3.32Å; R196-I198 PolarHBondContact O-N 2.97Å; R196-A199 PolarHBondContact O-N 3.16Å; R196-D200 WeakPolarHBondContact O-CB 3.44Å; R196-D200 PolarHBondContact O-N 3.49Å
197L94.4Very high93.3Very high0 Ų029.1 Ų29.10%015%0.153CC..Hα-helixtrans-59.8-44.6176.5-171.873.1000111.1R150 I153 L161 I193 L194 F201 L203R150-L197 HydrophobicContact CG-CD1 3.53Å; I153-L197 HydrophobicContact CD1-CD1 3.92Å; I153-L197 HydrophobicContact CD1-CD2 4.18Å; I153-L197 HydrophobicContact CD1-CG 4.14Å; L161-L197 HydrophobicContact CD2-CD2 3.79Å; I193-L197 PolarHBondContact O-N 2.83Å; L194-L197 WeakPolarHBondContact O-CA 3.41Å; L194-L197 WeakPolarHBondContact O-CB 3.29Å; L194-L197 PolarHBondContact O-N 3.08Å; L197-F201 HydrophobicContact CD1-CD2 3.61Å; L197-F201 HydrophobicContact CD1-CE2 3.69Å; L197-F201 HydrophobicContact CG-CD2 4.29Å; L197-F201 WeakPolarHBondContact O-CB 3.46Å; L197-F201 WeakPolarHBondContact O-CD2 3.31Å; L197-F201 PolarHBondContact O-N 3.45Å; L197-L203 HydrophobicContact CG-CD1 4.23Å
198I94.9Very high93.6Very high3 Ų328 Ų282%0.01515%0.148CC..Hα-helixtrans-58.8-52.1176.5-69.5165.5000110.7G41 L44 L194 L195 R196 Q202 L203 C205G41-I198 WeakPolarHBondContact CA-O 3.33Å; L44-I198 HydrophobicContact CD1-CD1 3.86Å; L194-I198 HydrophobicContact CD1-CD1 4.2Å; L194-I198 HydrophobicContact CD1-CG1 4.39Å; L194-I198 HydrophobicContact CG-CD1 3.91Å; L194-I198 VanDerWaalsContact O-CG1 3.31Å; L194-I198 WeakPolarHBondContact O-CG1 3.49Å; L194-I198 PolarHBondContact O-N 3.13Å; L195-I198 HydrophobicContact CD2-CD1 4.35Å; L195-I198 PolarHBondContact O-N 2.86Å; R196-I198 VanDerWaalsContact C-N 3.32Å; R196-I198 PolarHBondContact O-N 2.97Å; I198-Q202 WeakPolarHBondContact O-CA 3.39Å; I198-Q202 PolarHBondContact O-N 3.46Å; I198-L203 WeakPolarHBondContact CG2-O 3.37Å; I198-L203 PolarHBondContact O-N 2.81Å; I198-C205 HydrophobicContact CD1-CB 3.36Å; I198-C205 HydrophobicContact CG1-CB 3.62Å
199A93.4Very high93.6Very high50 Ų5026.4 Ų26.441%0.41314%0.137SC..Hα-helixtrans-67.4-47.9-177.200000112.7L195 R196 F201 Q202L195-A199 WeakPolarHBondContact O-CB 3.38Å; L195-A199 PolarHBondContact O-N 2.86Å; R196-A199 PolarHBondContact O-N 3.16Å; A199-F201 PolarHBondContact O-N 3.17Å; A199-Q202 PolarHBondContact O-N 2.9Å
200D91.9Very high93.4Very high31 Ų3124.8 Ų24.817%0.16613%0.125CC..Hα-helixtrans-59.5-34.7-178.4-73.7-15.7000111.8V16 R150 R196V16-D200 VanDerWaalsContact CG2-O 3.29Å; V16-D200 WeakPolarHBondContact CG2-O 3.4Å; R150-D200 IonicContact CZ-OD2 3.91Å; R150-D200 IonicContact NH1-OD2 3.69Å; R150-D200 PolarHBondContact NH1-OD2 3.01Å; R150-D200 IonicContact NH2-OD2 3.01Å; R150-D200 PolarHBondContact NH2-OD2 3.11Å; R196-D200 WeakPolarHBondContact O-CB 3.44Å; R196-D200 PolarHBondContact O-N 3.49Å
201F92.5Very high92.7Very high0 Ų027.2 Ų27.20%014%0.135CC..Hα-helixtrans-1104.8-173.1-68.5-73.1000114.8V16 R21 R150 I153 K154 L197 A199 L203V16-F201 VanDerWaalsContact CG2-CA 3.46Å; V16-F201 HydrophobicContact CG2-CB 4.32Å; V16-F201 HydrophobicContact CG2-CD1 3.89Å; V16-F201 HydrophobicContact CG2-CG 4.48Å; R21-F201 PolarHBondContact NH1-O 2.81Å; R150-F201 HydrophobicContact CB-CE2 4.39Å; R150-F201 HydrophobicContact CB-CZ 4.42Å; R150-F201 HydrophobicContact CG-CE2 4Å; R150-F201 HydrophobicContact CG-CZ 4.48Å; I153-F201 HydrophobicContact CB-CD1 4.38Å; I153-F201 HydrophobicContact CB-CE1 4.48Å; I153-F201 HydrophobicContact CG2-CB 3.89Å; I153-F201 HydrophobicContact CG2-CD1 3.3Å; I153-F201 HydrophobicContact CG2-CD2 4.25Å; I153-F201 HydrophobicContact CG2-CE1 3.77Å; I153-F201 HydrophobicContact CG2-CG 3.54Å; I153-F201 HydrophobicContact CG2-CZ 4.42Å; K154-F201 HydrophobicContact CG-CE1 4.37Å; K154-F201 HydrophobicContact CG-CZ 4.46Å; L197-F201 HydrophobicContact CD1-CD2 3.61Å; L197-F201 HydrophobicContact CD1-CE2 3.69Å; L197-F201 HydrophobicContact CG-CD2 4.29Å; L197-F201 WeakPolarHBondContact O-CB 3.46Å; L197-F201 WeakPolarHBondContact O-CD2 3.31Å; L197-F201 PolarHBondContact O-N 3.45Å; A199-F201 PolarHBondContact O-N 3.17Å; F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 HydrophobicContact CB-CD1 3.98Å; F201-L203 HydrophobicContact CB-CD2 4.01Å; F201-L203 HydrophobicContact CB-CG 3.7Å; F201-L203 PolarHBondContact O-N 3.32Å
202Q92.8Very high91.4Very high88 Ų8830.4 Ų30.441%0.41116%0.157SC..THydrogen-bonded Turntrans48.448.2-176.6-61.1-172.8-28.100112.9V16 S40 I198 A199V16-Q202 HydrophobicContact CG1-CB 4.29Å; V16-Q202 HydrophobicContact CG1-CG 4.25Å; S40-Q202 WeakPolarHBondContact CB-O 3.26Å; I198-Q202 WeakPolarHBondContact O-CA 3.39Å; I198-Q202 PolarHBondContact O-N 3.46Å; A199-Q202 PolarHBondContact O-N 2.9Å
203L95.2Very high89.5Confident0 Ų032.8 Ų32.80%017%0.168CC..  trans-88.3146-176.4-55.8172.4000111.3G41 I153 V158 L161 L197 I198 F201G41-L203 PolarHBondContact N-O 3.23Å; I153-L203 HydrophobicContact CD1-CD1 3.74Å; V158-L203 HydrophobicContact CG1-CD2 4.28Å; V158-L203 VanDerWaalsContact O-CD2 3.22Å; V158-L203 WeakPolarHBondContact O-CD2 3.14Å; L161-L203 HydrophobicContact CB-CD1 4.18Å; L197-L203 HydrophobicContact CG-CD1 4.23Å; I198-L203 WeakPolarHBondContact CG2-O 3.37Å; I198-L203 PolarHBondContact O-N 2.81Å; F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 HydrophobicContact CB-CD1 3.98Å; F201-L203 HydrophobicContact CB-CD2 4.01Å; F201-L203 HydrophobicContact CB-CG 3.7Å; F201-L203 PolarHBondContact O-N 3.32Å
204L96.5Very high87.3Confident1 Ų134.8 Ų34.81%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-82.5119156.1177.361.4000108.4I24 L27 P38 V45 S159 C160 L161I24-L204 HydrophobicContact CD1-CB 4.05Å; I24-L204 HydrophobicContact CD1-CD2 4.23Å; I24-L204 HydrophobicContact CG1-CB 4.07Å; I24-L204 HydrophobicContact CG1-CD2 4.15Å; L27-L204 HydrophobicContact CB-CD2 4Å; L27-L204 HydrophobicContact CD2-CD2 3.91Å; P38-L204 HydrophobicContact CB-CD1 3.7Å; V45-L204 HydrophobicContact CG2-CD1 4.18Å; S159-L204 PolarHBondContact O-N 3.3Å; C160-L204 WeakPolarHBondContact CA-O 3.3Å; C160-L204 PolarHBondContact SG-O 2.76Å; C160-L204 VanDerWaalsContact SG-O 3.37Å; L161-L204 PolarHBondContact N-O 2.85Å
205C97.2Very high84.6Confident0 Ų041 Ų410%021%0.211CC..EExtended strand (participates in β ladder)trans-109128.6179.4-173.50000112.4L44 V45 L161 I198L44-C205 HydrophobicContact CD1-CB 3.9Å; L44-C205 VanDerWaalsContact CD1-SG 3.6Å; V45-C205 PolarHBondContact N-O 3.44Å; L161-C205 VanDerWaalsContact O-CA 3.27Å; L161-C205 WeakPolarHBondContact O-CA 3.44Å; I198-C205 HydrophobicContact CD1-CB 3.36Å; I198-C205 HydrophobicContact CG1-CB 3.62Å
206I96.5Very high81.8Confident0 Ų044.8 Ų44.80%023%0.227CC..EExtended strand (participates in β ladder)trans-120.9117.6177.8-59.4169.2000107.9L27 L28 V45 V47 F58 L161 M162 I163 I208L27-I206 HydrophobicContact CD2-CD1 4.04Å; L28-I206 HydrophobicContact CD1-CD1 4.07Å; L28-I206 HydrophobicContact CD1-CG1 4.29Å; L28-I206 HydrophobicContact CD2-CD1 4.27Å; L28-I206 HydrophobicContact CG-CD1 4.41Å; V45-I206 HydrophobicContact CB-CG1 4.23Å; V45-I206 CarbonylContact O-C 3.46Å; V45-I206 WeakPolarHBondContact O-CA 3.38Å; V47-I206 HydrophobicContact CG2-CG2 3.63Å; F58-I206 HydrophobicContact CE1-CG2 4.32Å; L161-I206 PolarHBondContact O-N 3.24Å; M162-I206 CarbonylContact C-O 3.59Å; M162-I206 VanDerWaalsContact CA-O 3.3Å; M162-I206 WeakPolarHBondContact CA-O 2.99Å; M162-I206 HydrophobicContact CE-CD1 4.12Å; M162-I206 HydrophobicContact CG-CB 4.37Å; I163-I206 PolarHBondContact N-O 2.98Å; I206-I208 HydrophobicContact CG2-CG1 4.34Å
207I94.8Very high79.1Confident7 Ų743.5 Ų43.54%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-101.6126.5171.4-61.1175.5000107.8L44 V45 E46 V47 I163 M166 M191 L194 M209L44-I207 HydrophobicContact CD1-CD1 3.61Å; L44-I207 HydrophobicContact CD1-CG1 3.9Å; L44-I207 HydrophobicContact CD2-CD1 3.95Å; L44-I207 HydrophobicContact CG-CD1 4.06Å; V45-I207 PolarHBondContact O-N 2.98Å; E46-I207 CarbonylContact C-O 3.6Å; E46-I207 WeakPolarHBondContact CA-O 3.38Å; V47-I207 PolarHBondContact N-O 2.78Å; I163-I207 HydrophobicContact CB-CG1 4.29Å; I163-I207 HydrophobicContact CD1-CG1 4.14Å; M166-I207 HydrophobicContact CB-CG2 3.59Å; M166-I207 HydrophobicContact CG-CG2 4.21Å; M166-I207 HydrophobicContact SD-CD1 3.76Å; M166-I207 HydrophobicContact SD-CG1 4.28Å; M166-I207 HydrophobicContact SD-CG2 3.71Å; M191-I207 HydrophobicContact CE-CD1 4.46Å; L194-I207 HydrophobicContact CD2-CD1 3.86Å; I207-M209 HydrophobicContact CG2-CG 4.27Å; I207-M209 HydrophobicContact CG2-SD 3.45Å; I207-M209 WeakPolarHBondContact CG2-SD 3.32Å
208I92.5Very high76.3Confident1 Ų149.3 Ų49.31%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-101125.6173.6-53.6176000108.4V47 Q49 F58 L59 I163 A165 M166 I206V47-I208 HydrophobicContact CB-CG1 4.24Å; V47-I208 CarbonylContact O-C 3.54Å; V47-I208 WeakPolarHBondContact O-CA 3.29Å; Q49-I208 HydrophobicContact CB-CG2 4.43Å; F58-I208 HydrophobicContact CD1-CD1 4.18Å; F58-I208 HydrophobicContact CE1-CD1 4.44Å; L59-I208 HydrophobicContact CB-CD1 3.92Å; L59-I208 HydrophobicContact CD1-CD1 3.86Å; L59-I208 HydrophobicContact CG-CD1 4.32Å; I163-I208 PolarHBondContact O-N 3.34Å; A165-I208 CarbonylContact C-O 3.57Å; A165-I208 WeakPolarHBondContact CA-O 3.49Å; A165-I208 PolarHBondContact N-O 2.92Å; M166-I208 PolarHBondContact N-O 2.74Å; I206-I208 HydrophobicContact CG2-CG1 4.34Å
209M89.3Confident73.4Confident0 Ų056.2 Ų56.20%031%0.305CS..EExtended strand (participates in β ladder)trans-111.5133.7178.7-57.1-54.5-46.900108.9E46 V47 Q49 M166 N167 I207 Y211 W244E46-M209 HydrophobicContact CG-CG 3.79Å; V47-M209 PolarHBondContact O-N 3.22Å; Q49-M209 PolarHBondContact N-O 3.31Å; M166-M209 HydrophobicContact CB-CE 4.32Å; M166-M209 HydrophobicContact CB-SD 3.77Å; M166-M209 HydrophobicContact CG-SD 4.48Å; N167-M209 HydrophobicContact CB-CE 3.36Å; N167-M209 VanDerWaalsContact CG-CE 3.41Å; I207-M209 HydrophobicContact CG2-CG 4.27Å; I207-M209 HydrophobicContact CG2-SD 3.45Å; I207-M209 WeakPolarHBondContact CG2-SD 3.32Å; M209-Y211 HydrophobicContact CB-CD2 4.2Å; M209-Y211 HydrophobicContact CB-CE2 3.28Å; M209-Y211 WeakPolarHBondContact CB-OH 3.37Å; M209-Y211 HydrophobicContact CG-CE2 4.28Å; M209-W244 HydrophobicContact CE-CH2 3.16Å; M209-W244 HydrophobicContact CE-CZ2 3.07Å; M209-W244 HydrophobicContact CE-CZ3 4Å; M209-W244 HydrophobicContact CG-CZ2 4.44Å; M209-W244 HydrophobicContact SD-CH2 4.3Å; M209-W244 HydrophobicContact SD-CZ2 3.89Å
210R84.7Confident70.7Confident52 Ų5262.1 Ų62.120%0.19633%0.329CS..EExtended strand (participates in β ladder)trans-109116.7176.9-68.9-171.6-178.9175.33.8110.7Q49 R92 A165 N167Q49-R210 WeakPolarHBondContact O-CA 3.39Å; R92-R210 VanDerWaalsContact CD-NH1 3.27Å; A165-R210 HydrophobicContact CB-CG 4.34Å; N167-R210 PolarHBondContact ND2-O 2.92Å; N167-R210 PolarHBondContact OD1-N 2.89Å; N167-R210 VanDerWaalsContact OD1-N 3.1Å
211Y77.3Confident68.2Low54 Ų5464.7 Ų64.721%0.21235%0.35CS..EExtended strand (participates in β ladder)trans-108.9133.8178.9-58.4-86.2000109.1C48 Q49 P50 S51 M209 P213 T239C48-Y211 HydrophobicContact CB-CD2 4.04Å; C48-Y211 HydrophobicContact CB-CE2 3.75Å; C48-Y211 VanDerWaalsContact SG-CE2 3.57Å; Q49-Y211 PolarHBondContact O-N 2.96Å; P50-Y211 CarbonylContact C-O 3.57Å; P50-Y211 WeakPolarHBondContact CA-O 3.48Å; S51-Y211 WeakPolarHBondContact CB-O 3.16Å; S51-Y211 PolarHBondContact N-O 2.86Å; S51-Y211 PolarHBondContact OG-O 3.43Å; M209-Y211 HydrophobicContact CB-CD2 4.2Å; M209-Y211 HydrophobicContact CB-CE2 3.28Å; M209-Y211 WeakPolarHBondContact CB-OH 3.37Å; M209-Y211 HydrophobicContact CG-CE2 4.28Å; Y211-P213 WeakPolarHBondContact O-CD 3.43Å; Y211-T239 HydrophobicContact CD1-CG2 4.26Å; Y211-T239 HydrophobicContact CE1-CG2 4.19Å
212S64.3Low65.5Low69 Ų6972.1 Ų72.148%0.48339%0.389SS..PPolyproline II helixtrans-68.6123.5159.3-167.30000105.7S51 D214S51-S212 PolarHBondContact OG-N 2.86Å; S212-D214 PolarHBondContact O-N 3.14Å
213P53.6Low62.7Low75 Ų7573.3 Ų73.349%0.48741%0.406SS..PPolyproline II helixtrans-53.9121.2162.523.3-29.2000105.7Y211 I215Y211-P213 WeakPolarHBondContact O-CD 3.43Å; P213-I215 PolarHBondContact O-N 3.23Å
214D47.6Very low59.7Low79 Ų7978.5 Ų78.542%0.42244%0.438SS..PPolyproline II helixtrans-48.4128.3179.1-87.9-42.7000108.1S212 H216S212-D214 PolarHBondContact O-N 3.14Å; D214-H216 HydrophobicContact CB-CB 4.24Å; D214-H216 PolarHBondContact O-N 3.43Å
215I37.1Very low56.8Low132 Ų13286 Ų8668%0.67748%0.479SS*.SBendtrans-71.747.3171.5-54.5166000108.1P213 V217 L218P213-I215 PolarHBondContact O-N 3.23Å; I215-V217 VanDerWaalsContact C-N 3.29Å; I215-L218 HydrophobicContact CG2-CB 4.3Å
216H36.6Very low53.9Low133 Ų13392.9 Ų92.962%0.61652%0.521SS*.THydrogen-bonded Turntrans-89.38.1173.9-86.8-51.3000112.6D214D214-H216 HydrophobicContact CB-CB 4.24Å; D214-H216 PolarHBondContact O-N 3.43Å
217V38.8Very low50.7Low138 Ų138101 Ų10184%0.83656%0.559SS**THydrogen-bonded Turntrans-101-0.2173.9-174.80000113.5I215I215-V217 VanDerWaalsContact C-N 3.29Å
218L35.5Very low47.7Very low123 Ų123108.4 Ų108.464%0.64460%0.595SS**SBendtrans-119.616.2-175-127.9122.7000117.6I215I215-L218 HydrophobicContact CG2-CB 4.3Å
219N33.3Very low44.6Very low147 Ų147118.2 Ų118.279%0.78664%0.638SS**SBendtrans-108.15.5175.7-87.17.1000115.9S221N219-S221 PolarHBondContact O-N 3.33Å
220D37.7Very low41.8Very low174 Ų174126.2 Ų126.293%0.9368%0.675SS**SBendtrans-83.86.6170.9-93.4-1.8000114
221S39.1Very low39.3Very low85 Ų85128.8 Ų128.859%0.59470%0.699SS**SBendtrans-147.280.6173.166.50000112.2N219N219-S221 PolarHBondContact O-N 3.33Å
222L34.6Very low37.2Very low157 Ų157132.4 Ų132.482%0.82272%0.722SS**  trans-176.576145.7-97.8142.3000109.4T224L222-T224 PolarHBondContact O-N 3.27Å
223S33.8Very low35.7Very low112 Ų112136.1 Ų136.178%0.78374%0.736SS**  trans-64.3111.315353.40000109
224T33.6Very low34.8Very low109 Ų109137 Ų13767%0.66974%0.744SS**  trans-175105.1144.636.90000109.1L222L222-T224 PolarHBondContact O-N 3.27Å
225D34.8Very low34.3Very low159 Ų159138.7 Ų138.785%0.8575%0.753SS**  trans25.196.9138.8-54.6-25.6000117.5
226T35.8Very low34.1Very low145 Ų145134.3 Ų134.389%0.8974%0.74SS**  trans-155.3123141.4-15.30000110.2
227E30.1Very low33.9Very low170 Ų170131.6 Ų131.679%0.79474%0.736SS**  trans-69.7161-177.3-58.3177.6135.300113.1
228M30.9Very low33.9Very low163 Ų163128.1 Ų128.180%0.80371%0.71SS**  trans73.761.2157.7-57.2-159.7-17200118.7
229F27.9Very low34.2Very low206 Ų206125.9 Ų125.990%0.90470%0.702SS**  trans-136.2126.4131.1-84.4-84.5000107.8P231F229-P231 WeakPolarHBondContact O-CD 3.45Å
230H29.7Very low34.6Very low168 Ų168129.8 Ų129.878%0.77871%0.706SS**  trans-89.487.3167.3-84.6-70.4000108.8N232H230-N232 PolarHBondContact O-N 2.99Å
231P34Very low35Very low107 Ų107126 Ų12670%0.69569%0.693SS**  trans-80.472.1155.535.3-30.5000106.9F229 N233F229-P231 WeakPolarHBondContact O-CD 3.45Å; P231-N233 PolarHBondContact O-N 2.85Å
232N32.1Very low35.8Very low130 Ų130123.8 Ų123.870%0.69567%0.674SS**  trans-72.773.2165.1-83.4-1.6000108.2H230H230-N232 PolarHBondContact O-N 2.99Å
233N32.4Very low37.3Very low147 Ų147118.2 Ų118.279%0.78665%0.646SS**SBendtrans-173.385149.8-93-14000105.2P231 L235P231-N233 PolarHBondContact O-N 2.85Å; N233-L235 PolarHBondContact O-N 3.33Å
234S34.4Very low39.2Very low92 Ų92113.5 Ų113.564%0.64361%0.61SS**  trans-40.3104.1166.952.90000109.5G236 S237S234-G236 PolarHBondContact O-N 2.97Å; S234-G236 VanDerWaalsContact O-N 3.1Å; S234-S237 PolarHBondContact O-N 3.23Å
235L37.1Very low41.3Very low116 Ų116110.6 Ų110.661%0.60760%0.595SS**G310 helixtrans-55.3-23.1173-155.374.9000110.7N233 S237 E238N233-L235 PolarHBondContact O-N 3.33Å; L235-S237 PolarHBondContact O-N 3.47Å; L235-E238 WeakPolarHBondContact CG-OE1 3.34Å; L235-E238 WeakPolarHBondContact O-CB 3.33Å; L235-E238 WeakPolarHBondContact O-CG 3.45Å; L235-E238 PolarHBondContact O-N 3.32Å
236G32.9Very low43.7Very low40 Ų40106.9 Ų106.941%0.41257%0.571SS.*G310 helixtrans-70.316.6178.200000117.4S234S234-G236 PolarHBondContact O-N 2.97Å; S234-G236 VanDerWaalsContact O-N 3.1Å
237S34.4Very low46.3Very low75 Ų75102.7 Ų102.752%0.52454%0.539SS..G310 helixtrans-102.610.515875.20000112.5S234 L235 T239 R240S234-S237 PolarHBondContact O-N 3.23Å; L235-S237 PolarHBondContact O-N 3.47Å; S237-T239 PolarHBondContact O-N 3.44Å; S237-R240 PolarHBondContact O-N 2.78Å
238E37.7Very low49.4Very low66 Ų6694.7 Ų94.731%0.30850%0.502SS..THydrogen-bonded Turntrans-44.3117.1166.6-90.8176.6-176.300109R174 L235R174-E238 IonicContact NH1-OE1 3.6Å; L235-E238 WeakPolarHBondContact CG-OE1 3.34Å; L235-E238 WeakPolarHBondContact O-CB 3.33Å; L235-E238 WeakPolarHBondContact O-CG 3.45Å; L235-E238 PolarHBondContact O-N 3.32Å
239T42.1Very low52.4Low76 Ų7688.8 Ų88.847%0.46648%0.475SS..THydrogen-bonded Turntrans85.739.7178.679.80000117.7Y211 S237 S241Y211-T239 HydrophobicContact CD1-CG2 4.26Å; Y211-T239 HydrophobicContact CE1-CG2 4.19Å; S237-T239 PolarHBondContact O-N 3.44Å; T239-S241 PolarHBondContact O-N 3.46Å
240R42.1Very low55.7Low228 Ų22879.9 Ų79.986%0.8644%0.436SS*.SBendtrans-53.2115.6149.2-93.2-169.7179.6179.72108.2S237 D242S237-R240 PolarHBondContact O-N 2.78Å; R240-D242 PolarHBondContact O-N 2.84Å
241S46Very low58.9Low95 Ų9574.1 Ų74.166%0.66441%0.409SS*.  trans-18.3108.8-160.472.20000113.6T239 D243T239-S241 PolarHBondContact O-N 3.46Å; S241-D243 PolarHBondContact O-N 3.09Å
242D55.5Low61.7Low38 Ų3869 Ų6920%0.20338%0.376CS..  trans-52.1113.1170.1-61.5-47.3000107.9R240 W244 S245R240-D242 PolarHBondContact O-N 2.84Å; D242-W244 HydrophobicContact CB-CD2 3.5Å; D242-W244 VanDerWaalsContact CB-CD2 3.5Å; D242-W244 HydrophobicContact CB-CE3 4.02Å; D242-W244 HydrophobicContact CB-CG 3.99Å; D242-W244 HydrophobicContact CB-CH2 3.76Å; D242-W244 HydrophobicContact CB-CZ2 3.26Å; D242-W244 HydrophobicContact CB-CZ3 4.15Å; D242-W244 PolarHBondContact O-N 3.27Å; D242-W244 WeakPolarHBondContact OD2-CZ2 3.47Å; D242-S245 WeakPolarHBondContact O-CB 3.49Å; D242-S245 PolarHBondContact O-N 3.14Å; D242-S245 PolarHBondContact O-OG 2.95Å
243D66.3Low64.5Low41 Ų4166 Ų6622%0.21936%0.358CS..G310 helixtrans-62.8-9.8-171.1-164.431.7000111.2V184 S241 S245 K246V184-D243 VanDerWaalsContact CG1-OD2 3.27Å; V184-D243 WeakPolarHBondContact CG1-OD2 3.19Å; S241-D243 PolarHBondContact O-N 3.09Å; D243-S245 VanDerWaalsContact C-N 3.28Å; D243-S245 PolarHBondContact O-N 3.08Å; D243-K246 VanDerWaalsContact O-CD 3.26Å; D243-K246 WeakPolarHBondContact O-CD 3.46Å; D243-K246 VanDerWaalsContact O-CE 3.3Å; D243-K246 WeakPolarHBondContact O-CE 3.33Å; D243-K246 WeakPolarHBondContact O-CG 3.49Å; D243-K246 WeakPolarHBondContact OD1-CD 3.39Å; D243-K246 IonicContact OD1-NZ 2.68Å; D243-K246 PolarHBondContact OD1-NZ 3.48Å; D243-K246 IonicContact OD2-NZ 3.94Å; D243-K246 PolarHBondContact OD2-NZ 3.5Å
244W73.3Confident67.3Low12 Ų1259.7 Ų59.75%0.04532%0.324CS..G310 helixtrans-66.8-25.6169.565.259.4000113.7E46 N167 M191 M209 D242 K246 Y247 V248E46-W244 VanDerWaalsContact OE2-CD1 3.32Å; E46-W244 PolarHBondContact OE2-NE1 2.76Å; N167-W244 HydrophobicContact CB-CH2 4.16Å; M191-W244 HydrophobicContact CG-CB 4.38Å; M191-W244 HydrophobicContact SD-CB 4.13Å; M209-W244 HydrophobicContact CE-CH2 3.16Å; M209-W244 HydrophobicContact CE-CZ2 3.07Å; M209-W244 HydrophobicContact CE-CZ3 4Å; M209-W244 HydrophobicContact CG-CZ2 4.44Å; M209-W244 HydrophobicContact SD-CH2 4.3Å; M209-W244 HydrophobicContact SD-CZ2 3.89Å; D242-W244 HydrophobicContact CB-CD2 3.5Å; D242-W244 VanDerWaalsContact CB-CD2 3.5Å; D242-W244 HydrophobicContact CB-CE3 4.02Å; D242-W244 HydrophobicContact CB-CG 3.99Å; D242-W244 HydrophobicContact CB-CH2 3.76Å; D242-W244 HydrophobicContact CB-CZ2 3.26Å; D242-W244 HydrophobicContact CB-CZ3 4.15Å; D242-W244 PolarHBondContact O-N 3.27Å; D242-W244 WeakPolarHBondContact OD2-CZ2 3.47Å; W244-K246 PolarHBondContact O-N 2.93Å; W244-Y247 WeakPolarHBondContact O-CA 3.41Å; W244-Y247 WeakPolarHBondContact O-CB 3.35Å; W244-Y247 PolarHBondContact O-N 3.5Å; W244-V248 PolarHBondContact O-N 3.22Å
245S77Confident69.6Low48 Ų4858.6 Ų58.634%0.33631%0.31SS..G310 helixtrans-58.5-25.6-177.757.30000112.3D242 D243 Y247 V248D242-S245 WeakPolarHBondContact O-CB 3.49Å; D242-S245 PolarHBondContact O-N 3.14Å; D242-S245 PolarHBondContact O-OG 2.95Å; D243-S245 VanDerWaalsContact C-N 3.28Å; D243-S245 PolarHBondContact O-N 3.08Å; S245-Y247 PolarHBondContact O-N 2.93Å; S245-V248 PolarHBondContact O-N 3.18Å
246K86Confident71.4Confident81 Ų8156.2 Ų56.235%0.35230%0.298SS..G310 helixtrans-67.2-21.6173.281.4-162.4171.1-1700113.5D243 W244 K266D243-K246 VanDerWaalsContact O-CD 3.26Å; D243-K246 WeakPolarHBondContact O-CD 3.46Å; D243-K246 VanDerWaalsContact O-CE 3.3Å; D243-K246 WeakPolarHBondContact O-CE 3.33Å; D243-K246 WeakPolarHBondContact O-CG 3.49Å; D243-K246 WeakPolarHBondContact OD1-CD 3.39Å; D243-K246 IonicContact OD1-NZ 2.68Å; D243-K246 PolarHBondContact OD1-NZ 3.48Å; D243-K246 IonicContact OD2-NZ 3.94Å; D243-K246 PolarHBondContact OD2-NZ 3.5Å; W244-K246 PolarHBondContact O-N 2.93Å; K246-K266 PolarHBondContact O-NZ 3.43Å
247Y91Very high73Confident57 Ų5757 Ų5722%0.22430%0.297CS..THydrogen-bonded Turntrans-96.5-18.7177.1-53.6-68.9000112.8M191 L195 W244 S245 T249M191-Y247 HydrophobicContact CB-CD2 3.56Å; M191-Y247 HydrophobicContact CB-CE2 3.43Å; M191-Y247 VanDerWaalsContact CB-CE2 3.43Å; M191-Y247 HydrophobicContact CB-CG 4.21Å; M191-Y247 HydrophobicContact CG-CD2 3.5Å; M191-Y247 HydrophobicContact CG-CE2 3.62Å; M191-Y247 HydrophobicContact CG-CG 4.42Å; M191-Y247 HydrophobicContact SD-CD2 4.1Å; L195-Y247 HydrophobicContact CD1-CD1 3.47Å; L195-Y247 VanDerWaalsContact CD1-CD1 3.47Å; L195-Y247 HydrophobicContact CD1-CE1 4.07Å; L195-Y247 HydrophobicContact CD1-CG 4Å; W244-Y247 WeakPolarHBondContact O-CA 3.41Å; W244-Y247 WeakPolarHBondContact O-CB 3.35Å; W244-Y247 PolarHBondContact O-N 3.5Å; S245-Y247 PolarHBondContact O-N 2.93Å; Y247-T249 PolarHBondContact O-N 2.83Å
248V93.6Very high74.5Confident2 Ų260.3 Ų60.31%0.01230%0.304CS..  trans-65.3131.6177.1178.20000109.6L44 E46 W244 S245 H250 K251 K266 M271L44-V248 HydrophobicContact CD2-CG2 4.48Å; E46-V248 HydrophobicContact CB-CB 4.43Å; E46-V248 HydrophobicContact CB-CG1 3.61Å; E46-V248 HydrophobicContact CB-CG2 3.87Å; W244-V248 PolarHBondContact O-N 3.22Å; S245-V248 PolarHBondContact O-N 3.18Å; V248-H250 WeakPolarHBondContact CG1-O 3.19Å; V248-K251 HydrophobicContact CG1-CB 4.46Å; V248-K266 WeakPolarHBondContact O-CD 3.48Å; V248-M271 HydrophobicContact CB-CE 3.88Å; V248-M271 HydrophobicContact CG1-CE 3.67Å
249T95.8Very high76.2Confident39 Ų3963.9 Ų63.924%0.23932%0.32CS..  trans-104.5-30.3178.6580000112.2S43 L44 Y247 K266S43-T249 VanDerWaalsContact CA-OG1 3.29Å; S43-T249 WeakPolarHBondContact CA-OG1 3.16Å; S43-T249 WeakPolarHBondContact CB-OG1 3.26Å; L44-T249 PolarHBondContact N-OG1 3.27Å; L44-T249 PolarHBondContact O-N 3.45Å; L44-T249 PolarHBondContact O-OG1 3.44Å; Y247-T249 PolarHBondContact O-N 2.83Å; T249-K266 WeakPolarHBondContact O-CB 3.42Å; T249-K266 PolarHBondContact O-N 3.26Å
250H96.8Very high78.4Confident19 Ų1961.7 Ų61.79%0.08831%0.308CS..EExtended strand (participates in β ladder)trans-138.1143.7-177.9-62.477000108F32 Y36 P38 S43 L44 V45 E46 V248 Y264F32-H250 HydrophobicContact CE1-CB 4.1Å; F32-H250 AromaticContact CE1-CD2 3.9Å; F32-H250 HydrophobicContact CE2-CB 4.31Å; F32-H250 HydrophobicContact CZ-CB 3.73Å; Y36-H250 PolarHBondContact O-CD2 3.06Å; Y36-H250 PolarHBondContact O-NE2 3.01Å; Y36-H250 VanDerWaalsContact O-NE2 3.16Å; P38-H250 HydrophobicContact CG-CB 4.26Å; S43-H250 PolarHBondContact OG-CE1 3.17Å; L44-H250 PolarHBondContact O-N 3.07Å; V45-H250 CarbonylContact C-O 3.51Å; V45-H250 WeakPolarHBondContact CA-O 3.42Å; V45-H250 HydrophobicContact CB-CB 4.44Å; V45-H250 HydrophobicContact CG1-CB 4.2Å; V45-H250 HydrophobicContact CG2-CB 4.13Å; E46-H250 PolarHBondContact N-O 3.03Å; V248-H250 WeakPolarHBondContact CG1-O 3.19Å; H250-Y264 WeakPolarHBondContact CA-O 3.31Å
251K95.5Very high80.7Confident47 Ų4751.8 Ų51.820%0.20427%0.271CS..EExtended strand (participates in β ladder)trans-133.3138.7178-179.9177.8176.9124.80110E46 C48 V248 S263 Y264E46-K251 HydrophobicContact CB-CG 4.46Å; E46-K251 CarbonylContact O-C 3.6Å; E46-K251 VanDerWaalsContact O-CA 3.25Å; E46-K251 WeakPolarHBondContact O-CA 3.3Å; E46-K251 WeakPolarHBondContact OE1-CD 3.27Å; E46-K251 WeakPolarHBondContact OE1-CE 3.34Å; E46-K251 IonicContact OE1-NZ 2.87Å; E46-K251 PolarHBondContact OE1-NZ 2.68Å; C48-K251 WeakPolarHBondContact SG-CE 3.24Å; C48-K251 PolarHBondContact SG-NZ 2.97Å; V248-K251 HydrophobicContact CG1-CB 4.46Å; K251-S263 CarbonylContact O-C 3.54Å; K251-S263 WeakPolarHBondContact O-CA 3.4Å; K251-Y264 HydrophobicContact CB-CD2 4.08Å; K251-Y264 HydrophobicContact CD-CD2 4.25Å; K251-Y264 HydrophobicContact CG-CD2 4.04Å; K251-Y264 PolarHBondContact N-O 3.1Å; K251-Y264 PolarHBondContact O-N 2.99Å
252I93.6Very high83Confident0 Ų047.2 Ų47.20%024%0.239CC..EExtended strand (participates in β ladder)trans-119126.1169-59.7167000106.4L28 H31 F32 V45 E46 V47 C48 F58 L254 F261 V262L28-I252 HydrophobicContact CD1-CD1 4.48Å; L28-I252 HydrophobicContact CD2-CD1 4.24Å; H31-I252 HydrophobicContact CB-CD1 3.79Å; H31-I252 HydrophobicContact CB-CG1 4.18Å; F32-I252 HydrophobicContact CE2-CD1 3.75Å; F32-I252 HydrophobicContact CE2-CG1 3.68Å; F32-I252 HydrophobicContact CZ-CD1 4.27Å; F32-I252 HydrophobicContact CZ-CG1 3.67Å; V45-I252 HydrophobicContact CG1-CD1 4.32Å; E46-I252 PolarHBondContact O-N 2.93Å; V47-I252 CarbonylContact C-O 3.54Å; V47-I252 WeakPolarHBondContact CA-O 3.4Å; V47-I252 HydrophobicContact CG1-CB 4.46Å; V47-I252 HydrophobicContact CG2-CB 4.34Å; V47-I252 HydrophobicContact CG2-CD1 4.25Å; C48-I252 PolarHBondContact N-O 3.14Å; F58-I252 HydrophobicContact CE2-CD1 4.45Å; F58-I252 HydrophobicContact CZ-CD1 4.39Å; I252-L254 HydrophobicContact CG2-CD2 3.65Å; I252-L254 HydrophobicContact CG2-CG 4.24Å; I252-F261 HydrophobicContact CG2-CB 4.26Å; I252-V262 CarbonylContact C-O 3.55Å; I252-V262 WeakPolarHBondContact CA-O 3.45Å
253E91.7Very high84.9Confident67 Ų6745.4 Ų45.431%0.31323%0.229SC..EExtended strand (participates in β ladder)trans-107.3109.6170.2-175.2178.6-179.100108.1C48 I255 F261 V262 Y264C48-E253 HydrophobicContact CB-CG 4.48Å; E253-I255 HydrophobicContact CG-CD1 4.11Å; E253-F261 CarbonylContact O-C 3.53Å; E253-F261 WeakPolarHBondContact O-CA 3.35Å; E253-F261 WeakPolarHBondContact O-CB 3.44Å; E253-V262 PolarHBondContact N-O 3.39Å; E253-V262 PolarHBondContact O-N 3.37Å; E253-Y264 HydrophobicContact CB-CE2 3.88Å; E253-Y264 PolarHBondContact OE2-OH 3.08Å
254L89.5Confident86.3Confident14 Ų1445 Ų457%0.07323%0.225CC..EExtended strand (participates in β ladder)trans-81.3126.5176.6-58.5179000108.4V47 C48 P50 C55 F58 I252 F261V47-L254 HydrophobicContact CG1-CD1 3.78Å; V47-L254 HydrophobicContact CG1-CG 3.99Å; C48-L254 PolarHBondContact O-N 2.99Å; P50-L254 WeakPolarHBondContact CD-O 3.47Å; P50-L254 WeakPolarHBondContact CG-O 3.46Å; C55-L254 HydrophobicContact CB-CD1 4.32Å; F58-L254 HydrophobicContact CB-CD1 4.02Å; F58-L254 HydrophobicContact CD2-CD1 4.13Å; F58-L254 HydrophobicContact CD2-CD2 4.42Å; F58-L254 HydrophobicContact CG-CD1 4.06Å; I252-L254 HydrophobicContact CG2-CD2 3.65Å; I252-L254 HydrophobicContact CG2-CG 4.24Å; L254-F261 HydrophobicContact CD2-CB 3.96Å
255I83.5Confident87.4Confident70 Ų7045.5 Ų45.536%0.35923%0.228SC..SBendtrans-100.1-41.1-177.5-52.2-71.7000109.7E253 S260 R278E253-I255 HydrophobicContact CG-CD1 4.11Å; I255-S260 WeakPolarHBondContact CA-O 3.42Å; I255-S260 WeakPolarHBondContact CB-O 3.43Å; I255-S260 PolarHBondContact N-O 3.49Å; I255-R278 HydrophobicContact CG1-CG 4.26Å
256D75.9Confident88.1Confident66 Ų6647.1 Ų47.135%0.35323%0.229SC..SBendtrans-132.5168.9170.766.242.5000111.5Q258 H259 S260D256-Q258 PolarHBondContact O-N 3.46Å; D256-Q258 PolarHBondContact OD1-N 3.28Å; D256-H259 PolarHBondContact OD1-N 3.35Å; D256-S260 VanDerWaalsContact CG-CB 3.49Å; D256-S260 PolarHBondContact N-O 3.15Å; D256-S260 PolarHBondContact OD1-N 2.91Å; D256-S260 WeakPolarHBondContact OD2-CB 3.26Å; D256-S260 PolarHBondContact OD2-OG 3.09Å
257C65.7Low88.3Confident57 Ų5747.9 Ų47.939%0.38523%0.234SC..SBendtrans-63.3-23.9-176.1-57.10000113.7C53C53-C257 PolarHBondContact SG-SG 2.93Å
258Q66.5Low88Confident143 Ų14352.8 Ų52.867%0.66826%0.259SS*.SBendtrans-115.8-43.1-155.8-60.1-170.7-19.400113.1D256D256-Q258 PolarHBondContact O-N 3.46Å; D256-Q258 PolarHBondContact OD1-N 3.28Å
259H73.5Confident87.6Confident142 Ų14258.3 Ų58.366%0.65730%0.298SS*.SBendtrans-150.9-22.2-167.6-58.199.7000115.3D256 F261 T277D256-H259 PolarHBondContact OD1-N 3.35Å; H259-F261 WeakPolarHBondContact O-CD1 3.42Å; H259-T277 PolarHBondContact O-OG1 3.27Å
260S87.1Confident87.2Confident29 Ų2959.5 Ų59.520%0.20331%0.308CS..  trans-93.3116.7-175.7-53.80000111.3I255 D256 T277I255-S260 WeakPolarHBondContact CA-O 3.42Å; I255-S260 WeakPolarHBondContact CB-O 3.43Å; I255-S260 PolarHBondContact N-O 3.49Å; D256-S260 VanDerWaalsContact CG-CB 3.49Å; D256-S260 PolarHBondContact N-O 3.15Å; D256-S260 PolarHBondContact OD1-N 2.91Å; D256-S260 WeakPolarHBondContact OD2-CB 3.26Å; D256-S260 PolarHBondContact OD2-OG 3.09Å; S260-T277 WeakPolarHBondContact CA-OG1 3.43Å
261F91.3Very high87Confident20 Ų2061.7 Ų61.79%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-149.1161.217466.4-92.3000112.4D30 H31 I252 E253 L254 H259 S263 K275 T277D30-F261 WeakPolarHBondContact O-CZ 3.47Å; H31-F261 HydrophobicContact CB-CE2 4.13Å; H31-F261 HydrophobicContact CB-CZ 4.48Å; H31-F261 AromaticContact CD2-CD2 3.88Å; H31-F261 AromaticContact CD2-CE2 3.85Å; H31-F261 AromaticContact CD2-CZ 3.97Å; I252-F261 HydrophobicContact CG2-CB 4.26Å; E253-F261 CarbonylContact O-C 3.53Å; E253-F261 WeakPolarHBondContact O-CA 3.35Å; E253-F261 WeakPolarHBondContact O-CB 3.44Å; L254-F261 HydrophobicContact CD2-CB 3.96Å; H259-F261 WeakPolarHBondContact O-CD1 3.42Å; F261-S263 VanDerWaalsContact CD2-OG 3.26Å; F261-S263 WeakPolarHBondContact CD2-OG 3.29Å; F261-S263 VanDerWaalsContact CE2-OG 3.25Å; F261-S263 WeakPolarHBondContact CE2-OG 3.27Å; F261-K275 HydrophobicContact CE2-CD 3.94Å; F261-K275 HydrophobicContact CE2-CG 4.26Å; F261-K275 HydrophobicContact CZ-CD 4.03Å; F261-T277 HydrophobicContact CD1-CG2 4.26Å; F261-T277 HydrophobicContact CE1-CG2 3.8Å; F261-T277 HydrophobicContact CE2-CG2 4.2Å; F261-T277 HydrophobicContact CZ-CG2 3.77Å; F261-T277 PolarHBondContact N-OG1 2.7Å; F261-T277 PolarHBondContact O-N 2.9Å; F261-T277 PolarHBondContact O-OG1 3.27Å
262V93.8Very high86.9Confident0 Ų064.5 Ų64.50%033%0.331CS..EExtended strand (participates in β ladder)trans-118.8132.8167.7-167.90000108.8I252 E253 Y264 V273 K275 D276 R278I252-V262 CarbonylContact C-O 3.55Å; I252-V262 WeakPolarHBondContact CA-O 3.45Å; E253-V262 PolarHBondContact N-O 3.39Å; E253-V262 PolarHBondContact O-N 3.37Å; V262-Y264 HydrophobicContact CB-CE2 3.72Å; V262-Y264 HydrophobicContact CG1-CD1 4.46Å; V262-Y264 HydrophobicContact CG1-CD2 4.32Å; V262-Y264 HydrophobicContact CG1-CE1 3.82Å; V262-Y264 HydrophobicContact CG1-CE2 3.65Å; V262-Y264 WeakPolarHBondContact CG1-OH 3.48Å; V262-V273 HydrophobicContact CG1-CG1 3.84Å; V262-V273 HydrophobicContact CG1-CG2 4.28Å; V262-K275 CarbonylContact C-O 3.47Å; V262-K275 WeakPolarHBondContact CA-O 3.22Å; V262-K275 WeakPolarHBondContact CG1-O 3.45Å; V262-D276 HydrophobicContact CG1-CB 4.33Å; V262-R278 VanDerWaalsContact CG2-CZ 3.44Å
263S94.9Very high87Confident0 Ų067.9 Ų67.90%035%0.351CS..EExtended strand (participates in β ladder)trans-113.4135.6176.8-58.20000110.7H31 K251 F261 I274 K275H31-S263 VanDerWaalsContact O-CB 3.26Å; H31-S263 WeakPolarHBondContact O-CB 2.87Å; H31-S263 PolarHBondContact O-OG 2.9Å; H31-S263 VanDerWaalsContact O-OG 3.05Å; K251-S263 CarbonylContact O-C 3.54Å; K251-S263 WeakPolarHBondContact O-CA 3.4Å; F261-S263 VanDerWaalsContact CD2-OG 3.26Å; F261-S263 WeakPolarHBondContact CD2-OG 3.29Å; F261-S263 VanDerWaalsContact CE2-OG 3.25Å; F261-S263 WeakPolarHBondContact CE2-OG 3.27Å; S263-I274 PolarHBondContact O-N 3.42Å; S263-K275 PolarHBondContact N-O 3.25Å; S263-K275 PolarHBondContact O-N 3.04Å
264Y96.3Very high87.1Confident33 Ų3366.4 Ų66.413%0.12935%0.345CS..EExtended strand (participates in β ladder)trans-128.7149.6-175.4-44.3-105.6000110.9F32 H250 K251 E253 V262 M271 K272 V273F32-Y264 WeakPolarHBondContact CE1-O 3.39Å; H250-Y264 WeakPolarHBondContact CA-O 3.31Å; K251-Y264 HydrophobicContact CB-CD2 4.08Å; K251-Y264 HydrophobicContact CD-CD2 4.25Å; K251-Y264 HydrophobicContact CG-CD2 4.04Å; K251-Y264 PolarHBondContact N-O 3.1Å; K251-Y264 PolarHBondContact O-N 2.99Å; E253-Y264 HydrophobicContact CB-CE2 3.88Å; E253-Y264 PolarHBondContact OE2-OH 3.08Å; V262-Y264 HydrophobicContact CB-CE2 3.72Å; V262-Y264 HydrophobicContact CG1-CD1 4.46Å; V262-Y264 HydrophobicContact CG1-CD2 4.32Å; V262-Y264 HydrophobicContact CG1-CE1 3.82Å; V262-Y264 HydrophobicContact CG1-CE2 3.65Å; V262-Y264 WeakPolarHBondContact CG1-OH 3.48Å; Y264-M271 HydrophobicContact CD1-CB 4.38Å; Y264-K272 CarbonylContact C-O 3.59Å; Y264-K272 WeakPolarHBondContact CA-O 3.3Å; Y264-V273 HydrophobicContact CD1-CB 4.37Å; Y264-V273 HydrophobicContact CD1-CG2 3.65Å; Y264-V273 HydrophobicContact CE1-CG2 3.47Å; Y264-V273 VanDerWaalsContact CE1-CG2 3.47Å
265I95.5Very high87.4Confident22 Ų2269.4 Ų69.411%0.11336%0.358CS..EExtended strand (participates in β ladder)trans-117.8149.3167.266.1178.3000110.2F32 Y36 H267 M271 K272 I274F32-I265 HydrophobicContact CD1-CG2 4.36Å; F32-I265 HydrophobicContact CE1-CG2 4.36Å; Y36-I265 HydrophobicContact CD1-CD1 3.51Å; Y36-I265 HydrophobicContact CE1-CD1 3.75Å; Y36-I265 HydrophobicContact CG-CD1 4.22Å; I265-H267 PolarHBondContact O-N 2.91Å; I265-M271 WeakPolarHBondContact O-CA 3.4Å; I265-K272 HydrophobicContact CG1-CB 4.37Å; I265-K272 PolarHBondContact N-O 2.67Å; I265-K272 PolarHBondContact O-N 2.57Å; I265-I274 HydrophobicContact CB-CG1 4.17Å; I265-I274 HydrophobicContact CD1-CD1 3.58Å; I265-I274 HydrophobicContact CD1-CG1 3.83Å; I265-I274 HydrophobicContact CG1-CD1 3.77Å; I265-I274 HydrophobicContact CG1-CG1 3.61Å; I265-I274 HydrophobicContact CG2-CG1 3.79Å
266K93.2Very high87.9Confident82 Ų8268.4 Ų68.436%0.35735%0.353SS..EExtended strand (participates in β ladder)trans-70.6123.6171.7-174.6167.4176.2-175.10109.9K246 V248 T249 E268 S270 M271K246-K266 PolarHBondContact O-NZ 3.43Å; V248-K266 WeakPolarHBondContact O-CD 3.48Å; T249-K266 WeakPolarHBondContact O-CB 3.42Å; T249-K266 PolarHBondContact O-N 3.26Å; K266-E268 WeakPolarHBondContact CE-O 3.32Å; K266-S270 WeakPolarHBondContact CA-O 3.48Å; K266-M271 HydrophobicContact CB-CE 4.31Å; K266-M271 HydrophobicContact CB-SD 3.97Å
267H89Confident88.6Confident96 Ų9666.3 Ų66.344%0.44434%0.343SS..EExtended strand (participates in β ladder)trans-124.8110.8172-173-89.6000108I265 S269 S270 K272I265-H267 PolarHBondContact O-N 2.91Å; H267-S269 PolarHBondContact O-N 3.3Å; H267-S270 PolarHBondContact N-O 3.02Å; H267-S270 PolarHBondContact O-N 2.97Å; H267-S270 VanDerWaalsContact O-O 3.06Å; H267-S270 PolarHBondContact O-OG 3.22Å; H267-S270 VanDerWaalsContact O-OG 3.11Å; H267-K272 HydrophobicContact CB-CB 4.19Å
268E86.1Confident89.5Confident161 Ų16169.9 Ų69.975%0.75235%0.348SS*.THydrogen-bonded Turntrans56-115.5-172.3-56.5174.4170.600111.6K266K266-E268 WeakPolarHBondContact CE-O 3.32Å
269S84.3Confident89.8Confident118 Ų11868.8 Ų68.883%0.82535%0.351SS*.THydrogen-bonded Turntrans-996.6178.259.80000113.9H267H267-S269 PolarHBondContact O-N 3.3Å
270S87.6Confident89Confident64 Ų6469.1 Ų69.145%0.44837%0.369SS..EExtended strand (participates in β ladder)trans-127.4165.2-174.769.10000112.4K266 H267K266-S270 WeakPolarHBondContact CA-O 3.48Å; H267-S270 PolarHBondContact N-O 3.02Å; H267-S270 PolarHBondContact O-N 2.97Å; H267-S270 VanDerWaalsContact O-O 3.06Å; H267-S270 PolarHBondContact O-OG 3.22Å; H267-S270 VanDerWaalsContact O-OG 3.11Å
271M91.8Very high89.1Confident64 Ų6471.1 Ų71.132%0.31538%0.377SS..EExtended strand (participates in β ladder)trans-99.4126.5172.1-68.1-63.5-17800109.5V248 Y264 I265 K266V248-M271 HydrophobicContact CB-CE 3.88Å; V248-M271 HydrophobicContact CG1-CE 3.67Å; Y264-M271 HydrophobicContact CD1-CB 4.38Å; I265-M271 WeakPolarHBondContact O-CA 3.4Å; K266-M271 HydrophobicContact CB-CE 4.31Å; K266-M271 HydrophobicContact CB-SD 3.97Å
272K93.9Very high89Confident106 Ų10673.8 Ų73.846%0.46139%0.393SS..EExtended strand (participates in β ladder)trans-102.5128.9176.8179.4-178.7177.4-178.50109.6Y264 I265 H267 I274Y264-K272 CarbonylContact C-O 3.59Å; Y264-K272 WeakPolarHBondContact CA-O 3.3Å; I265-K272 HydrophobicContact CG1-CB 4.37Å; I265-K272 PolarHBondContact N-O 2.67Å; I265-K272 PolarHBondContact O-N 2.57Å; H267-K272 HydrophobicContact CB-CB 4.19Å; K272-I274 HydrophobicContact CD-CD1 4.25Å; K272-I274 HydrophobicContact CG-CD1 4.3Å
273V95.2Very high88.7Confident72 Ų7277.9 Ų77.944%0.43642%0.415SS..EExtended strand (participates in β ladder)trans-64.6131.5172.3-179.10000109.8V262 Y264 D276V262-V273 HydrophobicContact CG1-CG1 3.84Å; V262-V273 HydrophobicContact CG1-CG2 4.28Å; Y264-V273 HydrophobicContact CD1-CB 4.37Å; Y264-V273 HydrophobicContact CD1-CG2 3.65Å; Y264-V273 HydrophobicContact CE1-CG2 3.47Å; Y264-V273 VanDerWaalsContact CE1-CG2 3.47Å; V273-D276 HydrophobicContact CG1-CB 4.31Å
274I95.3Very high88.3Confident36 Ų3682.5 Ų82.519%0.18544%0.439CS..EExtended strand (participates in β ladder)trans-117.1-32.9178.1-63.6-57.4000111.9P33 Y36 S263 I265 K272P33-I274 HydrophobicContact CG-CG2 3.92Å; Y36-I274 HydrophobicContact CD2-CD1 4.16Å; Y36-I274 HydrophobicContact CD2-CG1 4.37Å; Y36-I274 HydrophobicContact CD2-CG2 3.35Å; Y36-I274 HydrophobicContact CE1-CD1 4.41Å; Y36-I274 HydrophobicContact CE2-CD1 3.97Å; Y36-I274 HydrophobicContact CE2-CG2 3.88Å; Y36-I274 HydrophobicContact CG-CD1 4.45Å; Y36-I274 HydrophobicContact CG-CG1 4.5Å; Y36-I274 HydrophobicContact CG-CG2 4.04Å; S263-I274 PolarHBondContact O-N 3.42Å; I265-I274 HydrophobicContact CB-CG1 4.17Å; I265-I274 HydrophobicContact CD1-CD1 3.58Å; I265-I274 HydrophobicContact CD1-CG1 3.83Å; I265-I274 HydrophobicContact CG1-CD1 3.77Å; I265-I274 HydrophobicContact CG1-CG1 3.61Å; I265-I274 HydrophobicContact CG2-CG1 3.79Å; K272-I274 HydrophobicContact CD-CD1 4.25Å; K272-I274 HydrophobicContact CG-CD1 4.3Å
275K94.6Very high87.8Confident76 Ų7685.6 Ų85.633%0.3346%0.458SS..EExtended strand (participates in β ladder)trans-144.6133.4177.3-172.8172.4177.11790109.1D30 F261 V262 S263 T277D30-K275 PolarHBondContact O-NZ 3.01Å; F261-K275 HydrophobicContact CE2-CD 3.94Å; F261-K275 HydrophobicContact CE2-CG 4.26Å; F261-K275 HydrophobicContact CZ-CD 4.03Å; V262-K275 CarbonylContact C-O 3.47Å; V262-K275 WeakPolarHBondContact CA-O 3.22Å; V262-K275 WeakPolarHBondContact CG1-O 3.45Å; S263-K275 PolarHBondContact N-O 3.25Å; S263-K275 PolarHBondContact O-N 3.04Å; K275-T277 HydrophobicContact CG-CG2 4.39Å
276D93.4Very high87.3Confident49 Ų4989.8 Ų89.826%0.26248%0.481SS..EExtended strand (participates in β ladder)trans-135113.5175-170.6-17.3000107.9V262 V273 R278V262-D276 HydrophobicContact CG1-CB 4.33Å; V273-D276 HydrophobicContact CG1-CB 4.31Å; D276-R278 VanDerWaalsContact OD1-CB 3.27Å; D276-R278 WeakPolarHBondContact OD1-CB 3.41Å; D276-R278 WeakPolarHBondContact OD1-CG 3.36Å; D276-R278 IonicContact OD1-CZ 3.93Å; D276-R278 PolarHBondContact OD1-N 3.38Å; D276-R278 IonicContact OD1-NE 3.34Å; D276-R278 PolarHBondContact OD1-NE 3.35Å; D276-R278 IonicContact OD1-NH2 3.76Å; D276-R278 IonicContact OD2-CZ 3.77Å; D276-R278 IonicContact OD2-NE 3.27Å; D276-R278 PolarHBondContact OD2-NE 3.36Å; D276-R278 IonicContact OD2-NH2 2.74Å; D276-R278 PolarHBondContact OD2-NH2 3.34Å
277T91.9Very high86.9Confident23 Ų2390.4 Ų90.414%0.14149%0.49CS..SBendtrans-93.7-0.1-177.352.70000112.7H259 S260 F261 K275 V279 S280H259-T277 PolarHBondContact O-OG1 3.27Å; S260-T277 WeakPolarHBondContact CA-OG1 3.43Å; F261-T277 HydrophobicContact CD1-CG2 4.26Å; F261-T277 HydrophobicContact CE1-CG2 3.8Å; F261-T277 HydrophobicContact CE2-CG2 4.2Å; F261-T277 HydrophobicContact CZ-CG2 3.77Å; F261-T277 PolarHBondContact N-OG1 2.7Å; F261-T277 PolarHBondContact O-N 2.9Å; F261-T277 PolarHBondContact O-OG1 3.27Å; K275-T277 HydrophobicContact CG-CG2 4.39Å; T277-V279 PolarHBondContact O-N 3.09Å; T277-S280 PolarHBondContact O-OG 3.06Å
278R84.7Confident86.8Confident131 Ų13189.9 Ų89.949%0.49449%0.494SS..SBendtrans-74.5-16.8174.7-56.8173.3-67.6-1774.8112.8I255 V262 D276I255-R278 HydrophobicContact CG1-CG 4.26Å; V262-R278 VanDerWaalsContact CG2-CZ 3.44Å; D276-R278 VanDerWaalsContact OD1-CB 3.27Å; D276-R278 WeakPolarHBondContact OD1-CB 3.41Å; D276-R278 WeakPolarHBondContact OD1-CG 3.36Å; D276-R278 IonicContact OD1-CZ 3.93Å; D276-R278 PolarHBondContact OD1-N 3.38Å; D276-R278 IonicContact OD1-NE 3.34Å; D276-R278 PolarHBondContact OD1-NE 3.35Å; D276-R278 IonicContact OD1-NH2 3.76Å; D276-R278 IonicContact OD2-CZ 3.77Å; D276-R278 IonicContact OD2-NE 3.27Å; D276-R278 PolarHBondContact OD2-NE 3.36Å; D276-R278 IonicContact OD2-NH2 2.74Å; D276-R278 PolarHBondContact OD2-NH2 3.34Å
279V72.6Confident86.8Confident121 Ų12184 Ų8473%0.73347%0.472SS*.  trans-108.3-1.7-172.7-161.30000112T277T277-V279 PolarHBondContact O-N 3.09Å
280S56.4Low87Confident148 Ų14880.9 Ų80.9100%1.03544%0.44SS*.  trans-89.10173.7460000111.6T277T277-S280 PolarHBondContact O-OG 3.06Å

Retrieved 280 of 280 residues in 80.4 ms (Link to these results)

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