A0A077ZGC2_TRITR Loading...

Monoacylglycerol lipase ABHD12

AlphaFold DB , UniProt , Accession A0A077ZGC2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 340 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
1M63.3Low81.2Confident221 Ų221121.3 Ų121.3100%1.08960%0.598SS**  0-47.30-131171.2-177.100112.6G3 F4 L5M1-G3 PolarHBondContact O-N 3.49Å; M1-F4 PolarHBondContact O-N 3.2Å; M1-L5 PolarHBondContact O-N 3.25Å
2M68.6Low81.9Confident172 Ų172116.8 Ų116.885%0.84758%0.577SS**Hα-helixtrans-60.3-41179.3-83177104.300115.3F4 L5 F6M2-F4 PolarHBondContact O-N 2.88Å; M2-L5 PolarHBondContact O-N 3.3Å; M2-F6 PolarHBondContact O-N 3.23Å
3G79.3Confident82.6Confident47 Ų47116.3 Ų116.349%0.48558%0.577SS.*Hα-helixtrans-62.8-43-179.900000113.7M1 L5 F6 D7M1-G3 PolarHBondContact O-N 3.49Å; G3-L5 PolarHBondContact O-N 2.79Å; G3-F6 PolarHBondContact O-N 3.47Å; G3-D7 PolarHBondContact O-N 2.72Å
4F78.2Confident83.2Confident163 Ų163119.8 Ų119.872%0.71558%0.581SS**Hα-helixtrans-63.6-40.9177.4-175.3-96.7000112.2M1 M2 D7 W8M1-F4 PolarHBondContact O-N 3.2Å; M2-F4 PolarHBondContact O-N 2.88Å; F4-D7 PolarHBondContact O-N 2.86Å; F4-W8 WeakPolarHBondContact O-CB 3.11Å; F4-W8 PolarHBondContact O-N 3.49Å
5L80.2Confident83.7Confident99 Ų99120.3 Ų120.352%0.51858%0.58SS.*Hα-helixtrans-63.7-41.7175.7-177.264.6000111.5M1 M2 G3 W8 I9M1-L5 PolarHBondContact O-N 3.25Å; M2-L5 PolarHBondContact O-N 3.3Å; G3-L5 PolarHBondContact O-N 2.79Å; L5-W8 PolarHBondContact O-N 2.84Å; L5-I9 HydrophobicContact CD1-CD1 4.18Å; L5-I9 HydrophobicContact CD1-CG1 4.45Å; L5-I9 HydrophobicContact CG-CD1 3.93Å; L5-I9 VanDerWaalsContact O-CG1 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 2.67Å
6F84.2Confident84.1Confident139 Ų139120.1 Ų120.161%0.6158%0.575SS**Hα-helixtrans-64.5-44.2178-173-97.4000112.4M2 G3 W8 I9 R10M2-F6 PolarHBondContact O-N 3.23Å; G3-F6 PolarHBondContact O-N 3.47Å; F6-W8 VanDerWaalsContact C-N 3.33Å; F6-W8 PolarHBondContact O-N 2.88Å; F6-I9 PolarHBondContact O-N 2.9Å; F6-R10 VanDerWaalsContact O-CB 3.31Å; F6-R10 WeakPolarHBondContact O-CB 3.3Å; F6-R10 PolarHBondContact O-N 3.25Å
7D85.8Confident84.4Confident71 Ų71115.3 Ų115.338%0.3856%0.56SS.*Hα-helixtrans-65.2-36.5176.3-79.6-36.2000112.9G3 F4 R10 S11G3-D7 PolarHBondContact O-N 2.72Å; F4-D7 PolarHBondContact O-N 2.86Å; D7-R10 IonicContact OD1-CZ 3.83Å; D7-R10 IonicContact OD1-NE 3.72Å; D7-R10 IonicContact OD1-NH2 3.53Å; D7-R10 PolarHBondContact OD1-NH2 3.2Å; D7-S11 WeakPolarHBondContact O-CB 3.5Å; D7-S11 PolarHBondContact O-N 2.79Å; D7-S11 PolarHBondContact O-OG 3.1Å
8W86.2Confident84.8Confident150 Ų150114 Ų11457%0.56856%0.56SS**Hα-helixtrans-66.7-47.5175.6-168.780.9000111.7F4 L5 F6 R10 S11 L12F4-W8 WeakPolarHBondContact O-CB 3.11Å; F4-W8 PolarHBondContact O-N 3.49Å; L5-W8 PolarHBondContact O-N 2.84Å; F6-W8 VanDerWaalsContact C-N 3.33Å; F6-W8 PolarHBondContact O-N 2.88Å; W8-R10 VanDerWaalsContact C-N 3.33Å; W8-R10 PolarHBondContact O-N 3.39Å; W8-S11 PolarHBondContact O-N 2.76Å; W8-L12 HydrophobicContact CH2-CD1 4Å; W8-L12 HydrophobicContact CZ2-CD1 4.22Å; W8-L12 HydrophobicContact CZ3-CD1 4.35Å; W8-L12 WeakPolarHBondContact O-CB 3.43Å; W8-L12 PolarHBondContact O-N 3.29Å
9I88.8Confident84.9Confident73 Ų73111.2 Ų111.237%0.37455%0.55SS..Hα-helixtrans-59.6-44.6174.8-69167.4000110.6L5 F6 S11 L12 L13L5-I9 HydrophobicContact CD1-CD1 4.18Å; L5-I9 HydrophobicContact CD1-CG1 4.45Å; L5-I9 HydrophobicContact CG-CD1 3.93Å; L5-I9 VanDerWaalsContact O-CG1 3.27Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 2.67Å; F6-I9 PolarHBondContact O-N 2.9Å; I9-S11 PolarHBondContact O-N 3.21Å; I9-L12 WeakPolarHBondContact O-CB 3.44Å; I9-L12 PolarHBondContact O-N 3.21Å; I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.16Å; I9-L13 PolarHBondContact O-N 2.89Å
10R89.8Confident85.1Confident125 Ų125108.4 Ų108.447%0.47253%0.533SS..Hα-helixtrans-61.2-45177.9-178.4172.364146.8-2.4111.9F6 D7 W8 L12 L13 W14F6-R10 VanDerWaalsContact O-CB 3.31Å; F6-R10 WeakPolarHBondContact O-CB 3.3Å; F6-R10 PolarHBondContact O-N 3.25Å; D7-R10 IonicContact OD1-CZ 3.83Å; D7-R10 IonicContact OD1-NE 3.72Å; D7-R10 IonicContact OD1-NH2 3.53Å; D7-R10 PolarHBondContact OD1-NH2 3.2Å; W8-R10 VanDerWaalsContact C-N 3.33Å; W8-R10 PolarHBondContact O-N 3.39Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 2.93Å; R10-L13 PolarHBondContact O-N 3.32Å; R10-W14 PolarHBondContact O-N 3.31Å
11S89.1Confident85.3Confident74 Ų74106.8 Ų106.852%0.51753%0.526SS..Hα-helixtrans-61.2-41.1176.3-61.20000111.8D7 W8 I9 W14 F15D7-S11 WeakPolarHBondContact O-CB 3.5Å; D7-S11 PolarHBondContact O-N 2.79Å; D7-S11 PolarHBondContact O-OG 3.1Å; W8-S11 PolarHBondContact O-N 2.76Å; I9-S11 PolarHBondContact O-N 3.21Å; S11-W14 PolarHBondContact O-N 2.91Å; S11-F15 WeakPolarHBondContact O-CB 3.33Å; S11-F15 PolarHBondContact O-N 2.95Å
12L88.9Confident86.5Confident67 Ų6797.9 Ų97.935%0.35149%0.488SS..Hα-helixtrans-64.2-45.2176.8-167.7111.5000111.6W8 I9 R10 W14 F15 F16W8-L12 HydrophobicContact CH2-CD1 4Å; W8-L12 HydrophobicContact CZ2-CD1 4.22Å; W8-L12 HydrophobicContact CZ3-CD1 4.35Å; W8-L12 WeakPolarHBondContact O-CB 3.43Å; W8-L12 PolarHBondContact O-N 3.29Å; I9-L12 WeakPolarHBondContact O-CB 3.44Å; I9-L12 PolarHBondContact O-N 3.21Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 2.93Å; L12-W14 PolarHBondContact O-N 3.02Å; L12-F15 WeakPolarHBondContact O-CB 3.48Å; L12-F15 PolarHBondContact O-N 3.3Å; L12-F16 HydrophobicContact CD1-CE2 4.21Å; L12-F16 HydrophobicContact CD2-CD2 4Å; L12-F16 HydrophobicContact CD2-CE2 3.62Å; L12-F16 HydrophobicContact CG-CD2 3.94Å; L12-F16 HydrophobicContact CG-CE2 3.59Å; L12-F16 WeakPolarHBondContact O-CD2 3.21Å; L12-F16 PolarHBondContact O-N 2.5Å
13L91Very high87.4Confident111 Ų11193.2 Ų93.258%0.58147%0.466SS*.Hα-helixtrans-61.3-42.9175.3-71.1173.3000111.9I9 R10 F16 A17I9-L13 HydrophobicContact CG2-CD1 4.02Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CG 3.16Å; I9-L13 PolarHBondContact O-N 2.89Å; R10-L13 PolarHBondContact O-N 3.32Å; L13-F16 PolarHBondContact O-N 3.2Å; L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.35Å
14W91.3Very high87.7Confident165 Ų16591 Ų9163%0.62544%0.443SS*.Hα-helixtrans-62.7-43.3174.5-83.8116.2000112.4R10 S11 L12 F16 A17 V18R10-W14 PolarHBondContact O-N 3.31Å; S11-W14 PolarHBondContact O-N 2.91Å; L12-W14 PolarHBondContact O-N 3.02Å; W14-F16 PolarHBondContact O-N 3.19Å; W14-A17 PolarHBondContact O-N 3.12Å; W14-V18 WeakPolarHBondContact O-CB 3.25Å; W14-V18 VanDerWaalsContact O-CG2 3.29Å; W14-V18 WeakPolarHBondContact O-CG2 3.18Å; W14-V18 PolarHBondContact O-N 3.39Å
15F91.6Very high88.1Confident128 Ų12888 Ų8856%0.56143%0.433SS*.Hα-helixtrans-57.4-50175.5173.7-97.1000111.1S11 L12 A17 V18 V19S11-F15 WeakPolarHBondContact O-CB 3.33Å; S11-F15 PolarHBondContact O-N 2.95Å; L12-F15 WeakPolarHBondContact O-CB 3.48Å; L12-F15 PolarHBondContact O-N 3.3Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 2.93Å; F15-V18 PolarHBondContact O-N 3.2Å; F15-V19 HydrophobicContact CD1-CG2 4.42Å; F15-V19 HydrophobicContact CD2-CG2 4.46Å; F15-V19 HydrophobicContact CE1-CG2 4.03Å; F15-V19 HydrophobicContact CE2-CG2 4.07Å; F15-V19 HydrophobicContact CZ-CG2 3.85Å; F15-V19 WeakPolarHBondContact O-CG2 3.28Å; F15-V19 PolarHBondContact O-N 3.24Å
16F90Very high88.4Confident117 Ų11787.1 Ų87.151%0.51343%0.429SS..Hα-helixtrans-64.4-37.3177.6-75.4-62.5000112.8L12 L13 W14 Y20L12-F16 HydrophobicContact CD1-CE2 4.21Å; L12-F16 HydrophobicContact CD2-CD2 4Å; L12-F16 HydrophobicContact CD2-CE2 3.62Å; L12-F16 HydrophobicContact CG-CD2 3.94Å; L12-F16 HydrophobicContact CG-CE2 3.59Å; L12-F16 WeakPolarHBondContact O-CD2 3.21Å; L12-F16 PolarHBondContact O-N 2.5Å; L13-F16 PolarHBondContact O-N 3.2Å; W14-F16 PolarHBondContact O-N 3.19Å; F16-Y20 WeakPolarHBondContact O-CB 3.25Å; F16-Y20 PolarHBondContact O-N 3.48Å
17A89.2Confident88.5Confident38 Ų3881.6 Ų81.631%0.31441%0.405SS..Hα-helixtrans-64-44174.700000112L13 W14 F15 Y20 L21L13-A17 WeakPolarHBondContact O-CB 3.38Å; L13-A17 PolarHBondContact O-N 3.35Å; W14-A17 PolarHBondContact O-N 3.12Å; F15-A17 VanDerWaalsContact C-N 3.35Å; F15-A17 PolarHBondContact O-N 2.93Å; A17-Y20 PolarHBondContact O-N 3.19Å; A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.5Å; A17-L21 PolarHBondContact O-N 2.99Å
18V90.6Very high88.5Confident92 Ų9282.3 Ų82.356%0.55840%0.403SS*.Hα-helixtrans-63.4-46.9176.7170.60000110.7W14 F15 Y20 L21 A22W14-V18 WeakPolarHBondContact O-CB 3.25Å; W14-V18 VanDerWaalsContact O-CG2 3.29Å; W14-V18 WeakPolarHBondContact O-CG2 3.18Å; W14-V18 PolarHBondContact O-N 3.39Å; F15-V18 PolarHBondContact O-N 3.2Å; V18-Y20 VanDerWaalsContact C-N 3.34Å; V18-Y20 PolarHBondContact O-N 3.1Å; V18-L21 PolarHBondContact O-N 3.09Å; V18-A22 VanDerWaalsContact O-CB 3.23Å; V18-A22 WeakPolarHBondContact O-CB 3.42Å; V18-A22 PolarHBondContact O-N 3.48Å
19V87.4Confident88.5Confident61 Ų6178.7 Ų78.737%0.3740%0.399SS..Hα-helixtrans-60.5-45.2176.4171.70000110.8F15 L21 A22 I23F15-V19 HydrophobicContact CD1-CG2 4.42Å; F15-V19 HydrophobicContact CD2-CG2 4.46Å; F15-V19 HydrophobicContact CE1-CG2 4.03Å; F15-V19 HydrophobicContact CE2-CG2 4.07Å; F15-V19 HydrophobicContact CZ-CG2 3.85Å; F15-V19 WeakPolarHBondContact O-CG2 3.28Å; F15-V19 PolarHBondContact O-N 3.24Å; V19-L21 PolarHBondContact O-N 3.4Å; V19-A22 PolarHBondContact O-N 3Å; V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.47Å; V19-I23 VanDerWaalsContact O-N 3.16Å
20Y88.7Confident88.5Confident55 Ų5579 Ų7922%0.21640%0.402CS..Hα-helixtrans-59.5-46.1178.5171.6-93.1000112.3F16 A17 V18 A22 P24 M231 F232 W234 L235F16-Y20 WeakPolarHBondContact O-CB 3.25Å; F16-Y20 PolarHBondContact O-N 3.48Å; A17-Y20 PolarHBondContact O-N 3.19Å; V18-Y20 VanDerWaalsContact C-N 3.34Å; V18-Y20 PolarHBondContact O-N 3.1Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; Y20-P24 WeakPolarHBondContact O-CD 3.25Å; Y20-M231 HydrophobicContact CE2-CB 4.4Å; Y20-M231 HydrophobicContact CE2-CG 4.22Å; Y20-M231 PolarHBondContact OH-O 3.43Å; Y20-F232 HydrophobicContact CD2-CD1 4.26Å; Y20-F232 AromaticContact CD2-CE1 3.61Å; Y20-F232 HydrophobicContact CD2-CE1 3.61Å; Y20-F232 HydrophobicContact CD2-CZ 4.4Å; Y20-F232 HydrophobicContact CE1-CD1 4.3Å; Y20-F232 HydrophobicContact CE1-CE1 4.44Å; Y20-F232 AromaticContact CE2-CD1 3.53Å; Y20-F232 HydrophobicContact CE2-CD1 3.53Å; Y20-F232 AromaticContact CE2-CE1 3.31Å; Y20-F232 HydrophobicContact CE2-CE1 3.31Å; Y20-F232 HydrophobicContact CE2-CZ 4.24Å; Y20-F232 HydrophobicContact CG-CE1 4.29Å; Y20-F232 AromaticContact CZ-CD1 3.54Å; Y20-F232 AromaticContact CZ-CE1 3.76Å; Y20-F232 WeakPolarHBondContact O-CE1 3.43Å; Y20-W234 AromaticContact CE1-CZ2 3.8Å; Y20-W234 HydrophobicContact CE1-CZ2 3.8Å; Y20-W234 PolarHBondContact OH-NE1 3.16Å; Y20-L235 HydrophobicContact CE1-CD1 4.34Å; Y20-L235 HydrophobicContact CE1-CD2 4.39Å
21L88.3Confident88.2Confident74 Ų7476 Ų7639%0.38740%0.398SS..Hα-helixtrans-73.4-25.7177.9-63.7177.1000112.9A17 V18 V19 L235 W237A17-L21 VanDerWaalsContact O-CG 3.31Å; A17-L21 WeakPolarHBondContact O-CG 3.5Å; A17-L21 PolarHBondContact O-N 2.99Å; V18-L21 PolarHBondContact O-N 3.09Å; V19-L21 PolarHBondContact O-N 3.4Å; L21-L235 HydrophobicContact CD2-CD2 3.95Å; L21-W237 HydrophobicContact CD2-CZ2 4.17Å
22A88.5Confident88Confident34 Ų3475.8 Ų75.828%0.28140%0.401SS..Hα-helixtrans-72.2-29.8176.300000112.6V18 V19 Y20 L25 L26V18-A22 VanDerWaalsContact O-CB 3.23Å; V18-A22 WeakPolarHBondContact O-CB 3.42Å; V18-A22 PolarHBondContact O-N 3.48Å; V19-A22 PolarHBondContact O-N 3Å; Y20-A22 VanDerWaalsContact C-N 3.34Å; A22-L25 CarbonylContact O-C 3.6Å; A22-L25 PolarHBondContact O-N 2.91Å; A22-L26 WeakPolarHBondContact O-CB 3.29Å; A22-L26 VanDerWaalsContact O-CG 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.4Å
23I87.6Confident87.7Confident75 Ų7575.1 Ų75.139%0.38540%0.397SS..Hα-helixtrans-57.9-53.4-177.5-71161.3000112.7V19 L25 L26 F27 F232V19-I23 WeakPolarHBondContact O-CG1 3.39Å; V19-I23 PolarHBondContact O-N 3.47Å; V19-I23 VanDerWaalsContact O-N 3.16Å; I23-L25 VanDerWaalsContact C-N 3.26Å; I23-L25 PolarHBondContact O-N 3.21Å; I23-L26 PolarHBondContact O-N 3.03Å; I23-F27 PolarHBondContact O-N 3.14Å; I23-F232 HydrophobicContact CB-CE1 4.4Å; I23-F232 HydrophobicContact CB-CZ 4Å; I23-F232 HydrophobicContact CD1-CZ 4.23Å; I23-F232 HydrophobicContact CG2-CE1 4.45Å; I23-F232 HydrophobicContact CG2-CE2 4.14Å; I23-F232 HydrophobicContact CG2-CZ 3.66Å
24P86.4Confident87.3Confident1 Ų169.8 Ų69.81%0.00637%0.369CS..Hα-helixtrans-59.2-38175.8-22.731.8000112.5Y20 F27 Y28 F232 L235 T241 I242Y20-P24 WeakPolarHBondContact O-CD 3.25Å; P24-F27 PolarHBondContact O-N 3.05Å; P24-Y28 WeakPolarHBondContact O-CB 3.47Å; P24-Y28 PolarHBondContact O-N 2.68Å; P24-F232 HydrophobicContact CG-CD1 3.72Å; P24-F232 HydrophobicContact CG-CE1 3.93Å; P24-F232 HydrophobicContact CG-CG 4.22Å; P24-L235 HydrophobicContact CG-CD1 3.97Å; P24-T241 WeakPolarHBondContact CB-OG1 3.34Å; P24-T241 VanDerWaalsContact O-O 3.14Å; P24-I242 HydrophobicContact CB-CD1 4.07Å; P24-I242 HydrophobicContact CB-CG1 3.93Å; P24-I242 HydrophobicContact CG-CD1 4.09Å
25L87.3Confident87Confident98 Ų9863.7 Ų63.751%0.51335%0.347SS..Hα-helixtrans-68.1-39.7178.9-172.666.5000112A22 I23 Y28 C29A22-L25 CarbonylContact O-C 3.6Å; A22-L25 PolarHBondContact O-N 2.91Å; I23-L25 VanDerWaalsContact C-N 3.26Å; I23-L25 PolarHBondContact O-N 3.21Å; L25-Y28 WeakPolarHBondContact O-CB 3.41Å; L25-Y28 PolarHBondContact O-N 3.44Å; L25-C29 VanDerWaalsContact O-CB 3.28Å; L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 2.84Å; L25-C29 PolarHBondContact O-SG 3.19Å
26L86.4Confident86.7Confident82 Ų8261.6 Ų61.643%0.42935%0.346SS..Hα-helixtrans-64.8-43.2174.7-72.2171000110.8A22 I23 Y28 C29 L30 I33A22-L26 WeakPolarHBondContact O-CB 3.29Å; A22-L26 VanDerWaalsContact O-CG 3.27Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.4Å; I23-L26 PolarHBondContact O-N 3.03Å; L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 3.18Å; L26-C29 PolarHBondContact O-N 3.03Å; L26-L30 HydrophobicContact CD2-CD1 3.88Å; L26-L30 VanDerWaalsContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.06Å; L26-I33 HydrophobicContact CB-CD1 4.07Å
27F85.6Confident86.4Confident22 Ų2260.5 Ų60.510%0.09635%0.345CS..Hα-helixtrans-60-40.3174.3-169.9-90.1000111.9I23 P24 I33 S34 L37 T241 I242 P245I23-F27 PolarHBondContact O-N 3.14Å; P24-F27 PolarHBondContact O-N 3.05Å; F27-I33 HydrophobicContact CD2-CG2 3.87Å; F27-S34 VanDerWaalsContact CZ-CB 3.45Å; F27-L37 HydrophobicContact CD2-CD1 3.85Å; F27-L37 HydrophobicContact CE2-CB 4.5Å; F27-L37 HydrophobicContact CE2-CD1 3.77Å; F27-T241 WeakPolarHBondContact CD1-O 3.49Å; F27-I242 WeakPolarHBondContact CE1-O 3.47Å; F27-P245 HydrophobicContact CD1-CB 3.98Å; F27-P245 HydrophobicContact CD1-CG 4.1Å; F27-P245 HydrophobicContact CE1-CB 3.88Å; F27-P245 HydrophobicContact CE1-CG 4.3Å
28Y86.1Confident86.4Confident86 Ų8659.8 Ų59.834%0.33734%0.335SS..Hα-helixtrans-66.3-45.9174.7179.2-97.4000113.5P24 L25 L26 Q240 P245P24-Y28 WeakPolarHBondContact O-CB 3.47Å; P24-Y28 PolarHBondContact O-N 2.68Å; L25-Y28 WeakPolarHBondContact O-CB 3.41Å; L25-Y28 PolarHBondContact O-N 3.44Å; L26-Y28 VanDerWaalsContact C-N 3.29Å; L26-Y28 PolarHBondContact O-N 3.18Å; Y28-Q240 WeakPolarHBondContact CD2-O 3.43Å; Y28-Q240 WeakPolarHBondContact CE2-O 3.46Å; Y28-P245 HydrophobicContact CD2-CG 3.78Å; Y28-P245 HydrophobicContact CG-CG 4.5Å
29C86.4Confident86.5Confident74 Ų7455.5 Ų55.550%0.531%0.309SS..Hα-helixtrans-82-23.1-172.7-70.40000113.6L25 L26 P31L25-C29 VanDerWaalsContact O-CB 3.28Å; L25-C29 WeakPolarHBondContact O-CB 3.48Å; L25-C29 PolarHBondContact O-N 2.84Å; L25-C29 PolarHBondContact O-SG 3.19Å; L26-C29 PolarHBondContact O-N 3.03Å; C29-P31 WeakPolarHBondContact O-CD 3.3Å
30L87.5Confident86.6Confident81 Ų8155.7 Ų55.742%0.42431%0.307SS..  trans-120.892.2-172.4-58.1174.6000110.7L26 A32 I33L26-L30 HydrophobicContact CD2-CD1 3.88Å; L26-L30 VanDerWaalsContact O-CB 3.25Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 PolarHBondContact O-N 3.06Å; L30-A32 PolarHBondContact O-N 3.07Å; L30-A32 VanDerWaalsContact O-N 3.09Å; L30-I33 HydrophobicContact CB-CB 4.5Å; L30-I33 HydrophobicContact CB-CD1 3.8Å; L30-I33 HydrophobicContact CB-CG1 3.84Å; L30-I33 HydrophobicContact CD1-CD1 3.66Å; L30-I33 HydrophobicContact CD1-CG1 4.37Å; L30-I33 HydrophobicContact CG-CD1 4.33Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.1Å
31P83.5Confident86.5Confident61 Ų6155.1 Ų55.140%0.39631%0.309SS..Hα-helixtrans-54-32.2178.7-28.735.8000114.4C29 I33 S34 H35 N249C29-P31 WeakPolarHBondContact O-CD 3.3Å; P31-I33 PolarHBondContact O-N 2.95Å; P31-S34 PolarHBondContact O-N 2.86Å; P31-S34 VanDerWaalsContact O-N 3.13Å; P31-S34 PolarHBondContact O-OG 2.96Å; P31-H35 PolarHBondContact O-CD2 3.27Å; P31-H35 VanDerWaalsContact O-CD2 3.31Å; P31-H35 PolarHBondContact O-N 3.14Å; P31-N249 WeakPolarHBondContact CA-ND2 3.5Å; P31-N249 HydrophobicContact CB-CB 4.4Å; P31-N249 WeakPolarHBondContact CG-OD1 3.49Å
32A84.7Confident86.3Confident69 Ų6955.8 Ų55.857%0.5733%0.325SS*.Hα-helixtrans-57-31.8175.800000112.6L30 T36L30-A32 PolarHBondContact O-N 3.07Å; L30-A32 VanDerWaalsContact O-N 3.09Å; A32-T36 VanDerWaalsContact O-CB 3.26Å; A32-T36 WeakPolarHBondContact O-CB 3.44Å; A32-T36 PolarHBondContact O-N 3.16Å; A32-T36 PolarHBondContact O-OG1 3.18Å
33I83.8Confident86Confident53 Ų5356.7 Ų56.727%0.27233%0.327SS..Hα-helixtrans-69.2-46.8177.4-61.9-176.4000110.2L26 F27 L30 P31 T36 L37L26-I33 HydrophobicContact CB-CD1 4.07Å; F27-I33 HydrophobicContact CD2-CG2 3.87Å; L30-I33 HydrophobicContact CB-CB 4.5Å; L30-I33 HydrophobicContact CB-CD1 3.8Å; L30-I33 HydrophobicContact CB-CG1 3.84Å; L30-I33 HydrophobicContact CD1-CD1 3.66Å; L30-I33 HydrophobicContact CD1-CG1 4.37Å; L30-I33 HydrophobicContact CG-CD1 4.33Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.1Å; P31-I33 PolarHBondContact O-N 2.95Å; I33-T36 PolarHBondContact O-N 3.19Å; I33-L37 HydrophobicContact CG2-CD1 3.75Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.44Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.37Å
34S82.9Confident85.8Confident0 Ų057.6 Ų57.60%033%0.328CS..Hα-helixtrans-62.7-45.8178.369.10000111F27 P31 T36 L37 I38 N249F27-S34 VanDerWaalsContact CZ-CB 3.45Å; P31-S34 PolarHBondContact O-N 2.86Å; P31-S34 VanDerWaalsContact O-N 3.13Å; P31-S34 PolarHBondContact O-OG 2.96Å; S34-T36 VanDerWaalsContact C-N 3.35Å; S34-T36 PolarHBondContact O-N 2.75Å; S34-L37 PolarHBondContact O-N 3.2Å; S34-I38 WeakPolarHBondContact O-CB 3.41Å; S34-I38 VanDerWaalsContact O-CG1 3.24Å; S34-I38 WeakPolarHBondContact O-CG1 3.46Å; S34-I38 PolarHBondContact O-N 2.62Å; S34-N249 PolarHBondContact OG-ND2 3.17Å
35H84.7Confident85.3Confident36 Ų3665.3 Ų65.317%0.16736%0.357CS..Hα-helixtrans-57.8-46175.7-82.4-102.9000112.1P31 L37 I38 F39 N249P31-H35 PolarHBondContact O-CD2 3.27Å; P31-H35 VanDerWaalsContact O-CD2 3.31Å; P31-H35 PolarHBondContact O-N 3.14Å; H35-L37 PolarHBondContact O-N 3.31Å; H35-I38 PolarHBondContact O-N 3.02Å; H35-F39 AromaticContact ND1-CE2 3.87Å; H35-F39 VanDerWaalsContact O-CD2 3.3Å; H35-F39 WeakPolarHBondContact O-CD2 3.39Å; H35-F39 PolarHBondContact O-N 3.09Å; H35-F39 VanDerWaalsContact O-N 3.1Å; H35-N249 PolarHBondContact NE2-O 3.42Å
36T84.1Confident84.8Confident85 Ų8564.2 Ų64.252%0.52136%0.356SS..Hα-helixtrans-63.1-40.7178.1-58.80000112A32 I33 S34 M40A32-T36 VanDerWaalsContact O-CB 3.26Å; A32-T36 WeakPolarHBondContact O-CB 3.44Å; A32-T36 PolarHBondContact O-N 3.16Å; A32-T36 PolarHBondContact O-OG1 3.18Å; I33-T36 PolarHBondContact O-N 3.19Å; S34-T36 VanDerWaalsContact C-N 3.35Å; S34-T36 PolarHBondContact O-N 2.75Å; T36-M40 WeakPolarHBondContact O-CA 3.24Å; T36-M40 WeakPolarHBondContact O-CG 3.06Å; T36-M40 PolarHBondContact O-N 2.65Å
37L85.1Confident84.6Confident94 Ų9470.1 Ų70.149%0.49238%0.379SS..Hα-helixtrans-77.2-30.3-178.3-71.8177.7000113.5F27 I33 S34 H35 M40F27-L37 HydrophobicContact CD2-CD1 3.85Å; F27-L37 HydrophobicContact CE2-CB 4.5Å; F27-L37 HydrophobicContact CE2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CD1 3.75Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.44Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.37Å; S34-L37 PolarHBondContact O-N 3.2Å; H35-L37 PolarHBondContact O-N 3.31Å; L37-M40 VanDerWaalsContact O-CG 3.23Å; L37-M40 WeakPolarHBondContact O-CG 3.31Å
38I89.9Confident84.7Confident22 Ų2270 Ų7011%0.11338%0.381CS..Hα-helixtrans-75-48.4177.5-66.7-49.6000110.8S34 H35 N117 L219 V223 L251 F253S34-I38 WeakPolarHBondContact O-CB 3.41Å; S34-I38 VanDerWaalsContact O-CG1 3.24Å; S34-I38 WeakPolarHBondContact O-CG1 3.46Å; S34-I38 PolarHBondContact O-N 2.62Å; H35-I38 PolarHBondContact O-N 3.02Å; I38-N117 WeakPolarHBondContact O-CB 3.43Å; I38-L219 HydrophobicContact CD1-CD1 3.98Å; I38-L219 HydrophobicContact CD1-CD2 3.85Å; I38-L219 HydrophobicContact CD1-CG 4.31Å; I38-L219 HydrophobicContact CG1-CD2 3.93Å; I38-L219 HydrophobicContact CG2-CD2 4.01Å; I38-V223 HydrophobicContact CD1-CG2 4.24Å; I38-L251 HydrophobicContact CB-CD1 4.27Å; I38-L251 HydrophobicContact CG1-CD1 4.01Å; I38-F253 HydrophobicContact CG2-CE2 4.2Å
39F91.5Very high85.1Confident3 Ų369.3 Ų69.31%0.01338%0.384CS..Hα-helixtrans-87.1-38.5-176.6-63-61.6000113.3H35 T41 T118 F148 A155 I160 L187 L251 F253H35-F39 AromaticContact ND1-CE2 3.87Å; H35-F39 VanDerWaalsContact O-CD2 3.3Å; H35-F39 WeakPolarHBondContact O-CD2 3.39Å; H35-F39 PolarHBondContact O-N 3.09Å; H35-F39 VanDerWaalsContact O-N 3.1Å; F39-T41 VanDerWaalsContact C-N 3.26Å; F39-T41 HydrophobicContact CB-CG2 3.91Å; F39-T41 PolarHBondContact O-N 2.89Å; F39-T118 PolarHBondContact O-N 3.19Å; F39-T118 VanDerWaalsContact O-N 3.08Å; F39-F148 HydrophobicContact CB-CE2 4.14Å; F39-F148 HydrophobicContact CB-CZ 3.83Å; F39-F148 HydrophobicContact CD1-CE2 4.26Å; F39-F148 HydrophobicContact CD1-CZ 4.28Å; F39-F148 HydrophobicContact CG-CZ 4.5Å; F39-F148 WeakPolarHBondContact O-CE1 3.34Å; F39-F148 VanDerWaalsContact O-CZ 3.31Å; F39-F148 WeakPolarHBondContact O-CZ 3.42Å; F39-A155 HydrophobicContact CB-CB 4.02Å; F39-A155 HydrophobicContact CD1-CB 3.95Å; F39-A155 HydrophobicContact CD2-CB 3.52Å; F39-A155 HydrophobicContact CE1-CB 4.31Å; F39-A155 HydrophobicContact CE2-CB 3.9Å; F39-A155 HydrophobicContact CG-CB 3.55Å; F39-A155 HydrophobicContact CZ-CB 4.28Å; F39-I160 HydrophobicContact CD1-CD1 3.89Å; F39-I160 HydrophobicContact CE1-CD1 3.31Å; F39-I160 HydrophobicContact CZ-CD1 3.91Å; F39-L187 HydrophobicContact CD1-CD2 3.78Å; F39-L187 HydrophobicContact CE1-CD2 3.92Å; F39-L251 HydrophobicContact CE2-CD2 3.65Å; F39-L251 HydrophobicContact CZ-CD2 3.65Å; F39-F253 AromaticContact CE1-CZ 3.85Å; F39-F253 HydrophobicContact CE1-CZ 3.85Å; F39-F253 AromaticContact CZ-CZ 3.97Å; F39-F253 HydrophobicContact CZ-CZ 3.97Å
40M89.2Confident85.5Confident65 Ų6566.7 Ų66.732%0.3236%0.363SS..  trans51.542.6-178.3-60.6-176.867.600113.3T36 L37 A42 V43 T118T36-M40 WeakPolarHBondContact O-CA 3.24Å; T36-M40 WeakPolarHBondContact O-CG 3.06Å; T36-M40 PolarHBondContact O-N 2.65Å; L37-M40 VanDerWaalsContact O-CG 3.23Å; L37-M40 WeakPolarHBondContact O-CG 3.31Å; M40-A42 PolarHBondContact O-N 3.3Å; M40-A42 VanDerWaalsContact O-N 3.14Å; M40-V43 HydrophobicContact CB-CG2 4.15Å; M40-V43 HydrophobicContact CE-CG2 3.8Å; M40-V43 WeakPolarHBondContact O-CB 3.41Å; M40-V43 PolarHBondContact O-N 3.15Å; M40-T118 HydrophobicContact CB-CG2 3.51Å; M40-T118 HydrophobicContact CE-CG2 4.08Å; M40-T118 HydrophobicContact CG-CG2 4.12Å; M40-T118 HydrophobicContact SD-CG2 3.69Å
41T87.3Confident85.9Confident42 Ų4266.4 Ų66.426%0.25837%0.368SS..THydrogen-bonded Turntrans-58.7-26.5-175.754.80000114.4F39 V43 G147 F148 A155F39-T41 VanDerWaalsContact C-N 3.26Å; F39-T41 HydrophobicContact CB-CG2 3.91Å; F39-T41 PolarHBondContact O-N 2.89Å; T41-V43 VanDerWaalsContact C-N 3.26Å; T41-V43 PolarHBondContact O-N 3.27Å; T41-G147 VanDerWaalsContact CB-O 3.29Å; T41-G147 WeakPolarHBondContact CB-O 3.34Å; T41-F148 HydrophobicContact CG2-CD1 4.28Å; T41-F148 HydrophobicContact CG2-CD2 3.74Å; T41-F148 HydrophobicContact CG2-CE1 4.12Å; T41-F148 HydrophobicContact CG2-CE2 3.56Å; T41-F148 HydrophobicContact CG2-CG 4.12Å; T41-F148 HydrophobicContact CG2-CZ 3.78Å; T41-A155 HydrophobicContact CG2-CB 4.06Å
42A84.3Confident86.4Confident88 Ų8865.4 Ų65.473%0.72736%0.359SS*.THydrogen-bonded Turntrans-70.9-19.3176.400000113.4M40 K44M40-A42 PolarHBondContact O-N 3.3Å; M40-A42 VanDerWaalsContact O-N 3.14Å; A42-K44 PolarHBondContact O-N 2.89Å; A42-K44 VanDerWaalsContact O-N 3.12Å
43V82.7Confident86.9Confident54 Ų5462.2 Ų62.233%0.32733%0.333SS..  trans-82.489.7179-177.60000108.9M40 T41 T118 W119M40-V43 HydrophobicContact CB-CG2 4.15Å; M40-V43 HydrophobicContact CE-CG2 3.8Å; M40-V43 WeakPolarHBondContact O-CB 3.41Å; M40-V43 PolarHBondContact O-N 3.15Å; T41-V43 VanDerWaalsContact C-N 3.26Å; T41-V43 PolarHBondContact O-N 3.27Å; V43-T118 HydrophobicContact CB-CG2 4.39Å; V43-T118 HydrophobicContact CG1-CG2 4.49Å; V43-W119 WeakPolarHBondContact O-CA 3.42Å; V43-W119 PolarHBondContact O-N 2.86Å
44K82.4Confident87.4Confident93 Ų9365.5 Ų65.540%0.40434%0.342SS..SBendtrans-143.8164.4177.264.6-173.1-178-174.50111.5A42 T120 G149A42-K44 PolarHBondContact O-N 2.89Å; A42-K44 VanDerWaalsContact O-N 3.12Å; K44-T120 HydrophobicContact CB-CG2 3.8Å; K44-T120 HydrophobicContact CD-CG2 4.46Å; K44-G149 PolarHBondContact NZ-O 3.22Å
45W76.7Confident87.9Confident164 Ų16469.2 Ų69.262%0.62137%0.365SS*.  trans-67.6127.5173.8-168.1-103.8000109.8A48 W119W45-A48 HydrophobicContact CB-CB 4.42Å; W45-W119 HydrophobicContact CB-CZ3 3.96Å; W45-W119 HydrophobicContact CE3-CH2 4.31Å; W45-W119 HydrophobicContact CE3-CZ3 4.16Å
46P75.9Confident88.4Confident75 Ų7569.6 Ų69.649%0.48737%0.366SS..THydrogen-bonded Turntrans-65.5138.6175.429.7-34.6000109.4A48P46-A48 VanDerWaalsContact C-N 3.3Å; P46-A48 PolarHBondContact O-N 3.15Å
47F81.7Confident89Confident206 Ų20667.2 Ų67.290%0.90436%0.359SS*.THydrogen-bonded Turntrans63.125.3175.7-39.4-71.6000116N49F47-N49 PolarHBondContact O-N 3.08Å
48A89.4Confident89.6Confident18 Ų1863 Ų6315%0.14934%0.337CS..  trans-58.4125.2172.800000111.6W45 P46 Y50W45-A48 HydrophobicContact CB-CB 4.42Å; P46-A48 VanDerWaalsContact C-N 3.3Å; P46-A48 PolarHBondContact O-N 3.15Å; A48-Y50 HydrophobicContact CB-CD2 4.34Å; A48-Y50 HydrophobicContact CB-CE1 4.11Å; A48-Y50 HydrophobicContact CB-CE2 3.7Å; A48-Y50 WeakPolarHBondContact O-CD2 3.32Å; A48-Y50 PolarHBondContact O-N 2.69Å
49N93.9Very high89.8Confident73 Ų7368.4 Ų68.439%0.3936%0.36SS..  trans-84.487.8175-179.212.1000110.4F47 S51 T55 H56F47-N49 PolarHBondContact O-N 3.08Å; N49-S51 PolarHBondContact O-N 3.35Å; N49-S51 PolarHBondContact OD1-N 3.21Å; N49-S51 PolarHBondContact OD1-OG 3.26Å; N49-T55 PolarHBondContact O-OG1 3.04Å; N49-H56 PolarHBondContact O-NE2 3.38Å
50Y95.2Very high90Very high19 Ų1969.1 Ų69.18%0.07536%0.363CS..THydrogen-bonded Turntrans-69.1-18.3-179.7-63.6-73.7000114.1A48 D52 N64 W78 T120 R121 D150A48-Y50 HydrophobicContact CB-CD2 4.34Å; A48-Y50 HydrophobicContact CB-CE1 4.11Å; A48-Y50 HydrophobicContact CB-CE2 3.7Å; A48-Y50 WeakPolarHBondContact O-CD2 3.32Å; A48-Y50 PolarHBondContact O-N 2.69Å; Y50-D52 VanDerWaalsContact C-N 3.27Å; Y50-D52 PolarHBondContact O-N 2.98Å; Y50-N64 PolarHBondContact O-OD1 2.96Å; Y50-N64 VanDerWaalsContact O-OD1 3.06Å; Y50-W78 HydrophobicContact CD1-CZ2 4.26Å; Y50-W78 PolarHBondContact O-NE1 3.44Å; Y50-T120 HydrophobicContact CE1-CG2 4.47Å; Y50-T120 WeakPolarHBondContact CE1-OG1 3.44Å; Y50-T120 VanDerWaalsContact OH-CG2 3.3Å; Y50-T120 WeakPolarHBondContact OH-CG2 3.36Å; Y50-T120 PolarHBondContact OH-OG1 2.76Å; Y50-T120 VanDerWaalsContact OH-OG1 3.08Å; Y50-R121 HydrophobicContact CD1-CG 4.34Å; Y50-D150 HydrophobicContact CD2-CB 3.8Å; Y50-D150 HydrophobicContact CE2-CB 4.39Å; Y50-D150 HydrophobicContact CG-CB 4.39Å
51S95.1Very high90.2Very high75 Ų7566.7 Ų66.752%0.52435%0.35SS..THydrogen-bonded Turntrans-70.8-20.6-179.172.20000113.9N49N49-S51 PolarHBondContact O-N 3.35Å; N49-S51 PolarHBondContact OD1-N 3.21Å; N49-S51 PolarHBondContact OD1-OG 3.26Å
52D93.9Very high90.6Very high39 Ų3965.7 Ų65.721%0.20935%0.345CS..  trans-127.395.9176.3-171-9.7000110.8Y50 R54 T55Y50-D52 VanDerWaalsContact C-N 3.27Å; Y50-D52 PolarHBondContact O-N 2.98Å; D52-R54 PolarHBondContact O-N 3.35Å; D52-R54 VanDerWaalsContact O-N 3.1Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.18Å; D52-R54 IonicContact OD1-CZ 3.16Å; D52-R54 PolarHBondContact OD1-N 3.42Å; D52-R54 VanDerWaalsContact OD1-N 3.1Å; D52-R54 IonicContact OD1-NE 2.89Å; D52-R54 PolarHBondContact OD1-NE 3.01Å; D52-R54 IonicContact OD1-NH2 3.99Å; D52-R54 IonicContact OD2-CZ 2.79Å; D52-R54 IonicContact OD2-NE 3.63Å; D52-R54 IonicContact OD2-NH2 2.84Å; D52-R54 PolarHBondContact OD2-NH2 3.47Å; D52-T55 HydrophobicContact CB-CG2 3.86Å; D52-T55 WeakPolarHBondContact O-CB 3.31Å; D52-T55 PolarHBondContact O-N 3.06Å; D52-T55 PolarHBondContact O-OG1 3.45Å
53P95.3Very high91.2Very high3 Ų362.2 Ų62.22%0.01931%0.313CS..G310 helixtrans-56.1-27.7-180-22.831.6000113.8T55 H56 V58 S62 W78P53-T55 PolarHBondContact O-N 3.11Å; P53-H56 PolarHBondContact O-N 3.42Å; P53-V58 HydrophobicContact CB-CB 3.92Å; P53-V58 HydrophobicContact CB-CG1 4.35Å; P53-V58 HydrophobicContact CB-CG2 3.7Å; P53-V58 WeakPolarHBondContact O-CB 3.39Å; P53-V58 WeakPolarHBondContact O-CG2 3.46Å; P53-V58 PolarHBondContact O-N 3.33Å; P53-S62 WeakPolarHBondContact CB-OG 3.32Å; P53-S62 WeakPolarHBondContact CG-OG 3.3Å; P53-W78 HydrophobicContact CB-CD2 3.86Å; P53-W78 HydrophobicContact CB-CE3 4Å; P53-W78 HydrophobicContact CB-CG 4.4Å; P53-W78 HydrophobicContact CB-CH2 4.15Å; P53-W78 HydrophobicContact CB-CZ2 4.03Å; P53-W78 HydrophobicContact CB-CZ3 4.15Å; P53-W78 HydrophobicContact CG-CD2 3.74Å; P53-W78 HydrophobicContact CG-CE3 4.38Å; P53-W78 HydrophobicContact CG-CG 3.82Å; P53-W78 HydrophobicContact CG-CZ2 4.19Å
54R93.8Very high91.9Very high122 Ų12260.9 Ų60.946%0.4631%0.305SS..G310 helixtrans-64.3-29-179.7-59.1171.3-63.2-179.85.3111.9D52 H56 G57D52-R54 PolarHBondContact O-N 3.35Å; D52-R54 VanDerWaalsContact O-N 3.1Å; D52-R54 VanDerWaalsContact OD1-CB 3.28Å; D52-R54 WeakPolarHBondContact OD1-CB 3.18Å; D52-R54 IonicContact OD1-CZ 3.16Å; D52-R54 PolarHBondContact OD1-N 3.42Å; D52-R54 VanDerWaalsContact OD1-N 3.1Å; D52-R54 IonicContact OD1-NE 2.89Å; D52-R54 PolarHBondContact OD1-NE 3.01Å; D52-R54 IonicContact OD1-NH2 3.99Å; D52-R54 IonicContact OD2-CZ 2.79Å; D52-R54 IonicContact OD2-NE 3.63Å; D52-R54 IonicContact OD2-NH2 2.84Å; D52-R54 PolarHBondContact OD2-NH2 3.47Å; R54-H56 PolarHBondContact O-N 3.37Å; R54-H56 VanDerWaalsContact O-N 3.14Å; R54-G57 PolarHBondContact O-N 2.93Å
55T94.6Very high92.6Very high78 Ų7857.4 Ų57.448%0.47929%0.289SS..G310 helixtrans-64.2-16.8176.265.60000113.2N49 D52 P53N49-T55 PolarHBondContact O-OG1 3.04Å; D52-T55 HydrophobicContact CB-CG2 3.86Å; D52-T55 WeakPolarHBondContact O-CB 3.31Å; D52-T55 PolarHBondContact O-N 3.06Å; D52-T55 PolarHBondContact O-OG1 3.45Å; P53-T55 PolarHBondContact O-N 3.11Å
56H95.1Very high93.7Very high43 Ų4355 Ų5520%0.19928%0.281CS..G310 helixtrans-102.50.9176.2-55.6-76.6000113.3N49 P53 R54 W78 S122 I127N49-H56 PolarHBondContact O-NE2 3.38Å; P53-H56 PolarHBondContact O-N 3.42Å; R54-H56 PolarHBondContact O-N 3.37Å; R54-H56 VanDerWaalsContact O-N 3.14Å; H56-W78 HydrophobicContact CB-CH2 4.27Å; H56-W78 AromaticContact CD2-CH2 3.63Å; H56-W78 AromaticContact CD2-CZ2 3.85Å; H56-S122 VanDerWaalsContact CG-CB 3.49Å; H56-S122 WeakPolarHBondContact ND1-CB 3.4Å; H56-I127 HydrophobicContact CB-CD1 4.11Å; H56-I127 HydrophobicContact CB-CG1 4.3Å
57G96Very high94.7Very high36 Ų3652.2 Ų52.237%0.37126%0.262SS..THydrogen-bonded Turntrans96.814.517900000115.4R54 K59 I127 N131R54-G57 PolarHBondContact O-N 2.93Å; G57-K59 PolarHBondContact O-N 2.92Å; G57-I127 VanDerWaalsContact O-CG2 3.29Å; G57-I127 WeakPolarHBondContact O-CG2 3.34Å; G57-N131 PolarHBondContact O-ND2 3.03Å
58V96.8Very high95.5Very high5 Ų548.5 Ų48.53%0.0325%0.251CS..  trans-64.4116165.8179.20000108.3P53 W78 I80 I127P53-V58 HydrophobicContact CB-CB 3.92Å; P53-V58 HydrophobicContact CB-CG1 4.35Å; P53-V58 HydrophobicContact CB-CG2 3.7Å; P53-V58 WeakPolarHBondContact O-CB 3.39Å; P53-V58 WeakPolarHBondContact O-CG2 3.46Å; P53-V58 PolarHBondContact O-N 3.33Å; V58-W78 HydrophobicContact CG2-CE3 4.41Å; V58-W78 HydrophobicContact CG2-CZ3 4.1Å; V58-I80 HydrophobicContact CG1-CD1 4.01Å; V58-I80 HydrophobicContact CG1-CG1 4.1Å; V58-I80 HydrophobicContact CG1-CG2 3.68Å; V58-I80 HydrophobicContact CG2-CD1 4.16Å; V58-I127 HydrophobicContact CG2-CD1 3.79Å; V58-I127 HydrophobicContact CG2-CG2 4.4Å
59K95.2Very high95.9Very high136 Ų13649 Ų4959%0.59125%0.253SS*.  trans-80.2-29.8-173.8-67.4177.2-179177.50112.7G57 N131G57-K59 PolarHBondContact O-N 2.92Å; K59-N131 WeakPolarHBondContact CB-OD1 3.49Å; K59-N131 HydrophobicContact CD-CB 4.36Å; K59-N131 PolarHBondContact N-OD1 2.9Å
60Y94.6Very high96.1Very high18 Ų1848.4 Ų48.47%0.07125%0.247CC..SBendtrans-96.5156.5-172.8-66.7-68.5000112S62 K83 Y86 E135Y60-S62 PolarHBondContact O-N 3.13Å; Y60-K83 HydrophobicContact CD1-CB 4.18Å; Y60-K83 HydrophobicContact CE1-CB 3.56Å; Y60-K83 HydrophobicContact CE1-CD 4.27Å; Y60-K83 HydrophobicContact CE1-CG 3.62Å; Y60-K83 WeakPolarHBondContact OH-CD 3.34Å; Y60-Y86 HydrophobicContact CD1-CD2 4.31Å; Y60-Y86 HydrophobicContact CD1-CG 4.07Å; Y60-E135 HydrophobicContact CE2-CG 4.09Å; Y60-E135 PolarHBondContact OH-OE1 2.79Å; Y60-E135 PolarHBondContact OH-OE2 3.18Å
61E94.9Very high96.2Very high13 Ų1354 Ų546%0.06129%0.286CS..  trans-60.2133179.9-177.1174.4178.100109.5L81 Y86 R87 R94 F99E61-L81 HydrophobicContact CB-CD1 4.13Å; E61-L81 HydrophobicContact CG-CD1 4.08Å; E61-L81 WeakPolarHBondContact O-CB 3.39Å; E61-L81 VanDerWaalsContact O-CG 3.31Å; E61-L81 WeakPolarHBondContact O-CG 3.42Å; E61-L81 PolarHBondContact O-N 3.06Å; E61-Y86 HydrophobicContact CB-CD2 3.64Å; E61-Y86 HydrophobicContact CB-CE2 4.01Å; E61-R87 IonicContact OE1-CZ 3.9Å; E61-R87 IonicContact OE1-NE 2.68Å; E61-R87 PolarHBondContact OE1-NE 3.47Å; E61-R87 IonicContact OE1-NH2 3.74Å; E61-R87 PolarHBondContact OE1-NH2 3.4Å; E61-R87 PolarHBondContact OE2-N 3.44Å; E61-R87 IonicContact OE2-NE 2.73Å; E61-R94 VanDerWaalsContact OE1-CD 3.3Å; E61-R94 WeakPolarHBondContact OE1-CD 3.45Å; E61-R94 IonicContact OE1-CZ 2.73Å; E61-R94 IonicContact OE1-NE 3.41Å; E61-R94 IonicContact OE1-NH1 3.63Å; E61-R94 PolarHBondContact OE1-NH1 3Å; E61-R94 IonicContact OE2-CZ 3.25Å; E61-R94 IonicContact OE2-NH1 3.78Å; E61-R94 PolarHBondContact OE2-NH1 3.02Å; E61-F99 HydrophobicContact CG-CZ 4.21Å
62S95.7Very high96.3Very high22 Ų2253.5 Ų53.515%0.15429%0.293CS..EExtended strand (participates in β ladder)trans-151.1154.2-169.661.10000111P53 Y60 Q79P53-S62 WeakPolarHBondContact CB-OG 3.32Å; P53-S62 WeakPolarHBondContact CG-OG 3.3Å; Y60-S62 PolarHBondContact O-N 3.13Å; S62-Q79 CarbonylContact C-O 3.58Å; S62-Q79 WeakPolarHBondContact CA-O 3.47Å; S62-Q79 VanDerWaalsContact CB-O 3.24Å; S62-Q79 WeakPolarHBondContact CB-O 3.48Å
63R96.1Very high96.5Very high14 Ų1452.7 Ų52.75%0.05329%0.288CS..EExtended strand (participates in β ladder)trans-118.5152.9167.262.2165.9178.1-170.3-6.9111.3F65 W78 Q79 E96 F99 D100R63-F65 HydrophobicContact CG-CD1 4.37Å; R63-W78 VanDerWaalsContact O-CA 3.31Å; R63-W78 WeakPolarHBondContact O-CA 3.47Å; R63-Q79 HydrophobicContact CG-CB 3.97Å; R63-Q79 PolarHBondContact N-O 3.29Å; R63-Q79 PolarHBondContact O-N 2.84Å; R63-E96 WeakPolarHBondContact CD-OE2 3.24Å; R63-E96 IonicContact CZ-OE2 3.23Å; R63-E96 IonicContact NE-OE2 3.59Å; R63-E96 PolarHBondContact NH1-O 3.35Å; R63-E96 IonicContact NH1-OE2 2.7Å; R63-E96 PolarHBondContact NH1-OE2 3.22Å; R63-F99 HydrophobicContact CB-CD1 4.27Å; R63-F99 HydrophobicContact CB-CD2 3.98Å; R63-F99 HydrophobicContact CB-CE1 4.04Å; R63-F99 HydrophobicContact CB-CE2 3.74Å; R63-F99 HydrophobicContact CB-CG 4.25Å; R63-F99 HydrophobicContact CB-CZ 3.78Å; R63-F99 HydrophobicContact CG-CB 4.31Å; R63-F99 HydrophobicContact CG-CD1 3.74Å; R63-F99 HydrophobicContact CG-CD2 3.99Å; R63-F99 HydrophobicContact CG-CE1 3.95Å; R63-F99 HydrophobicContact CG-CE2 4.19Å; R63-F99 HydrophobicContact CG-CG 3.77Å; R63-F99 HydrophobicContact CG-CZ 4.18Å; R63-D100 IonicContact CZ-OD1 3.65Å; R63-D100 IonicContact NH1-OD1 3.2Å; R63-D100 PolarHBondContact NH1-OD1 3.42Å; R63-D100 IonicContact NH2-OD1 3.62Å; R63-D100 PolarHBondContact NH2-OD1 2.99Å
64N97.6Very high96.6Very high27 Ų2754.2 Ų54.214%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-101.6134.9163.1176.185.3000109.1Y50 Y66 C77 W78 R121Y50-N64 PolarHBondContact O-OD1 2.96Å; Y50-N64 VanDerWaalsContact O-OD1 3.06Å; N64-Y66 WeakPolarHBondContact ND2-CE2 3.4Å; N64-Y66 PolarHBondContact ND2-OH 2.75Å; N64-C77 CarbonylContact C-O 3.57Å; N64-C77 WeakPolarHBondContact CA-O 3.43Å; N64-C77 PolarHBondContact OD1-O 2.78Å; N64-W78 VanDerWaalsContact OD1-CD1 3.24Å; N64-W78 PolarHBondContact OD1-NE1 3.27Å; N64-R121 PolarHBondContact OD1-NH2 2.71Å
65F97.9Very high96.9Very high19 Ų1948.4 Ų48.48%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-144170.3177.567.7-80.2000110.3R63 L67 C77 Q79 W170R63-F65 HydrophobicContact CG-CD1 4.37Å; F65-L67 HydrophobicContact CD2-CD2 3.99Å; F65-L67 HydrophobicContact CD2-CG 4.04Å; F65-L67 HydrophobicContact CE2-CD1 3.9Å; F65-L67 HydrophobicContact CE2-CD2 3.75Å; F65-L67 HydrophobicContact CE2-CG 3.64Å; F65-C77 HydrophobicContact CD1-CB 3.94Å; F65-C77 HydrophobicContact CD2-CB 3.99Å; F65-C77 HydrophobicContact CE1-CB 3.52Å; F65-C77 HydrophobicContact CE2-CB 3.58Å; F65-C77 HydrophobicContact CG-CB 4.16Å; F65-C77 HydrophobicContact CZ-CB 3.33Å; F65-C77 PolarHBondContact N-O 3.36Å; F65-C77 PolarHBondContact O-N 3.06Å; F65-Q79 HydrophobicContact CE1-CB 4.09Å; F65-W170 HydrophobicContact CD2-CZ2 4.22Å; F65-W170 HydrophobicContact CE1-CH2 4.08Å; F65-W170 HydrophobicContact CE1-CZ2 4.46Å; F65-W170 HydrophobicContact CE2-CD2 4.09Å; F65-W170 AromaticContact CE2-CE2 3.72Å; F65-W170 HydrophobicContact CE2-CE3 4.28Å; F65-W170 AromaticContact CE2-CH2 3.85Å; F65-W170 HydrophobicContact CE2-CH2 3.85Å; F65-W170 AromaticContact CE2-CZ2 3.6Å; F65-W170 HydrophobicContact CE2-CZ2 3.6Å; F65-W170 HydrophobicContact CE2-CZ3 4.18Å; F65-W170 HydrophobicContact CZ-CD2 4.4Å; F65-W170 HydrophobicContact CZ-CE3 4.14Å; F65-W170 AromaticContact CZ-CH2 3.47Å; F65-W170 HydrophobicContact CZ-CH2 3.47Å; F65-W170 VanDerWaalsContact CZ-CH2 3.47Å; F65-W170 AromaticContact CZ-CZ2 3.74Å; F65-W170 HydrophobicContact CZ-CZ2 3.74Å; F65-W170 AromaticContact CZ-CZ3 3.69Å; F65-W170 HydrophobicContact CZ-CZ3 3.69Å
66Y98.2Very high97.1Very high114 Ų11444.7 Ų44.745%0.44725%0.253SS..EExtended strand (participates in β ladder)trans-124.5138.2-177.2-66.6-78.3000111.4N64 V74 L75 D150N64-Y66 WeakPolarHBondContact ND2-CE2 3.4Å; N64-Y66 PolarHBondContact ND2-OH 2.75Å; Y66-V74 HydrophobicContact CD1-CG1 3.97Å; Y66-V74 HydrophobicContact CG-CG1 4.21Å; Y66-L75 VanDerWaalsContact CA-O 3.25Å; Y66-L75 WeakPolarHBondContact CA-O 3.5Å; Y66-D150 VanDerWaalsContact CE1-OD2 3.3Å; Y66-D150 WeakPolarHBondContact CE1-OD2 3.42Å; Y66-D150 PolarHBondContact OH-OD2 2.56Å
67L98.3Very high97.2Very high16 Ų1642.7 Ų42.78%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-115.8127.8176.9-66.2-177.8000111.3F65 V74 L75 V167 W170F65-L67 HydrophobicContact CD2-CD2 3.99Å; F65-L67 HydrophobicContact CD2-CG 4.04Å; F65-L67 HydrophobicContact CE2-CD1 3.9Å; F65-L67 HydrophobicContact CE2-CD2 3.75Å; F65-L67 HydrophobicContact CE2-CG 3.64Å; L67-V74 CarbonylContact O-C 3.51Å; L67-V74 VanDerWaalsContact O-CA 3.31Å; L67-V74 WeakPolarHBondContact O-CA 3.45Å; L67-L75 PolarHBondContact N-O 3.39Å; L67-L75 PolarHBondContact O-N 3.09Å; L67-V167 HydrophobicContact CD1-CB 4.48Å; L67-V167 HydrophobicContact CD1-CG2 3.95Å; L67-W170 HydrophobicContact CD1-CB 4.04Å; L67-W170 HydrophobicContact CD1-CD2 4.32Å; L67-W170 HydrophobicContact CD1-CG 3.98Å; L67-W170 HydrophobicContact CD2-CB 4.42Å; L67-W170 HydrophobicContact CD2-CD2 4.28Å; L67-W170 HydrophobicContact CD2-CG 3.78Å
68N98.3Very high97.3Very high128 Ų12841 Ų4168%0.68423%0.226SC*.EExtended strand (participates in β ladder)trans-81.9123171.2-63.3-62.2000109.3V74N68-V74 WeakPolarHBondContact OD1-CG2 3.43Å
69V98.1Very high97.4Very high29 Ų2940.7 Ų40.718%0.17622%0.224CC..EExtended strand (participates in β ladder)trans-95-52.9178.3177.70000110.2I73 L75 R162 T166V69-I73 HydrophobicContact CB-CB 4.31Å; V69-I73 HydrophobicContact CB-CG2 3.97Å; V69-I73 HydrophobicContact CG2-CG2 4.27Å; V69-I73 PolarHBondContact N-O 2.82Å; V69-L75 HydrophobicContact CG2-CD1 3.56Å; V69-L75 HydrophobicContact CG2-CD2 4.21Å; V69-L75 HydrophobicContact CG2-CG 3.59Å; V69-R162 HydrophobicContact CG1-CB 4.04Å; V69-T166 HydrophobicContact CG2-CG2 4.09Å
70E96.8Very high97.6Very high60 Ų6034.2 Ų34.228%0.2820%0.196SC..EExtended strand (participates in β ladder)trans-152.5166.4178.761.4-168.3-178.800108.2G72 I73 R146 R162E70-G72 PolarHBondContact O-N 3.3Å; E70-G72 VanDerWaalsContact O-N 3.08Å; E70-I73 HydrophobicContact CG-CB 3.76Å; E70-I73 HydrophobicContact CG-CG1 3.47Å; E70-I73 VanDerWaalsContact CG-CG1 3.47Å; E70-I73 PolarHBondContact O-N 3.39Å; E70-R146 IonicContact OE1-CZ 3.93Å; E70-R146 IonicContact OE1-NH1 3.44Å; E70-R146 PolarHBondContact OE1-NH1 3.42Å; E70-R146 IonicContact OE1-NH2 2.81Å; E70-R146 PolarHBondContact OE1-NH2 2.8Å; E70-R162 IonicContact OE1-CZ 3.01Å; E70-R162 IonicContact OE1-NE 3.2Å; E70-R162 IonicContact OE1-NH2 2.83Å; E70-R162 PolarHBondContact OE1-NH2 2.88Å; E70-R162 VanDerWaalsContact OE1-NH2 3.09Å; E70-R162 IonicContact OE2-CZ 3.95Å; E70-R162 IonicContact OE2-NE 3.66Å; E70-R162 PolarHBondContact OE2-NE 2.87Å; E70-R162 IonicContact OE2-NH2 3.2Å; E70-R162 PolarHBondContact OE2-NH2 2.85Å
71P97.3Very high97.7Very high137 Ų13733.4 Ų33.489%0.8919%0.193SC*.THydrogen-bonded Turntrans-51119.9-176.9-29.236.6000112.8I73P71-I73 VanDerWaalsContact C-N 3.32Å; P71-I73 PolarHBondContact O-N 2.96Å
72G97.1Very high97.9Very high65 Ų6532.8 Ų32.867%0.6719%0.19SC*.THydrogen-bonded Turntrans83.8-4.9-178.800000115.7E70 T152E70-G72 PolarHBondContact O-N 3.3Å; E70-G72 VanDerWaalsContact O-N 3.08Å; G72-T152 PolarHBondContact O-OG1 2.97Å
73I98.4Very high97.9Very high21 Ų2136.3 Ų36.311%0.10820%0.203CC..EExtended strand (participates in β ladder)trans-107.2113.3176.7-53-60000110.1V69 E70 P71 R146 T152V69-I73 HydrophobicContact CB-CB 4.31Å; V69-I73 HydrophobicContact CB-CG2 3.97Å; V69-I73 HydrophobicContact CG2-CG2 4.27Å; V69-I73 PolarHBondContact N-O 2.82Å; E70-I73 HydrophobicContact CG-CB 3.76Å; E70-I73 HydrophobicContact CG-CG1 3.47Å; E70-I73 VanDerWaalsContact CG-CG1 3.47Å; E70-I73 PolarHBondContact O-N 3.39Å; P71-I73 VanDerWaalsContact C-N 3.32Å; P71-I73 PolarHBondContact O-N 2.96Å; I73-R146 HydrophobicContact CG2-CB 4.15Å; I73-T152 VanDerWaalsContact CA-OG1 3.28Å; I73-T152 WeakPolarHBondContact CA-OG1 3.43Å
74V98.5Very high98Very high36 Ų3638.4 Ų38.422%0.21822%0.223CC..EExtended strand (participates in β ladder)trans-126.9130.3-179.2-173.40000108.6Y66 L67 N68 S151 T152Y66-V74 HydrophobicContact CD1-CG1 3.97Å; Y66-V74 HydrophobicContact CG-CG1 4.21Å; L67-V74 CarbonylContact O-C 3.51Å; L67-V74 VanDerWaalsContact O-CA 3.31Å; L67-V74 WeakPolarHBondContact O-CA 3.45Å; N68-V74 WeakPolarHBondContact OD1-CG2 3.43Å; V74-S151 CarbonylContact O-C 3.59Å; V74-S151 VanDerWaalsContact O-CA 3.24Å; V74-S151 WeakPolarHBondContact O-CA 3.19Å; V74-T152 HydrophobicContact CB-CG2 4.36Å; V74-T152 PolarHBondContact N-OG1 2.67Å; V74-T152 PolarHBondContact O-N 2.87Å
75L98.7Very high97.8Very high0 Ų037.7 Ų37.70%022%0.219CC..EExtended strand (participates in β ladder)trans-100.5135.9176.8-52.6179.8000110.7Y66 L67 V69 R146 S151 D163 V167Y66-L75 VanDerWaalsContact CA-O 3.25Å; Y66-L75 WeakPolarHBondContact CA-O 3.5Å; L67-L75 PolarHBondContact N-O 3.39Å; L67-L75 PolarHBondContact O-N 3.09Å; V69-L75 HydrophobicContact CG2-CD1 3.56Å; V69-L75 HydrophobicContact CG2-CD2 4.21Å; V69-L75 HydrophobicContact CG2-CG 3.59Å; L75-R146 HydrophobicContact CD2-CB 4.4Å; L75-S151 WeakPolarHBondContact CA-OG 3.38Å; L75-D163 HydrophobicContact CD1-CB 3.61Å; L75-D163 HydrophobicContact CD2-CB 4.16Å; L75-D163 HydrophobicContact CG-CB 4.49Å; L75-V167 HydrophobicContact CD1-CG2 3.94Å
76G98.4Very high97.5Very high0 Ų040.4 Ų40.40%023%0.229CC..EExtended strand (participates in β ladder)trans-82.7125.316600000110.8R121 F143 D144 S151G76-R121 PolarHBondContact O-NH1 3.48Å; G76-F143 WeakPolarHBondContact O-CA 3.49Å; G76-D144 PolarHBondContact O-N 2.9Å; G76-D144 VanDerWaalsContact O-N 3.07Å; G76-S151 PolarHBondContact N-OG 3.42Å
77C98.7Very high97Very high0 Ų038.1 Ų38.10%022%0.22CC..EExtended strand (participates in β ladder)trans-130149.2-174.6-55.10000111.2N64 F65 A142 F143N64-C77 CarbonylContact C-O 3.57Å; N64-C77 WeakPolarHBondContact CA-O 3.43Å; N64-C77 PolarHBondContact OD1-O 2.78Å; F65-C77 HydrophobicContact CD1-CB 3.94Å; F65-C77 HydrophobicContact CD2-CB 3.99Å; F65-C77 HydrophobicContact CE1-CB 3.52Å; F65-C77 HydrophobicContact CE2-CB 3.58Å; F65-C77 HydrophobicContact CG-CB 4.16Å; F65-C77 HydrophobicContact CZ-CB 3.33Å; F65-C77 PolarHBondContact N-O 3.36Å; F65-C77 PolarHBondContact O-N 3.06Å; C77-A142 CarbonylContact C-O 3.57Å; C77-A142 WeakPolarHBondContact CA-O 3.41Å; C77-F143 HydrophobicContact CB-CB 4.13Å; C77-F143 VanDerWaalsContact SG-CB 3.59Å
78W98.6Very high95.9Very high0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-120.1135.9171-66.7-14.7000109.8Y50 P53 H56 V58 R63 N64 I80 R121 I127 Y130 I141 A142Y50-W78 HydrophobicContact CD1-CZ2 4.26Å; Y50-W78 PolarHBondContact O-NE1 3.44Å; P53-W78 HydrophobicContact CB-CD2 3.86Å; P53-W78 HydrophobicContact CB-CE3 4Å; P53-W78 HydrophobicContact CB-CG 4.4Å; P53-W78 HydrophobicContact CB-CH2 4.15Å; P53-W78 HydrophobicContact CB-CZ2 4.03Å; P53-W78 HydrophobicContact CB-CZ3 4.15Å; P53-W78 HydrophobicContact CG-CD2 3.74Å; P53-W78 HydrophobicContact CG-CE3 4.38Å; P53-W78 HydrophobicContact CG-CG 3.82Å; P53-W78 HydrophobicContact CG-CZ2 4.19Å; H56-W78 HydrophobicContact CB-CH2 4.27Å; H56-W78 AromaticContact CD2-CH2 3.63Å; H56-W78 AromaticContact CD2-CZ2 3.85Å; V58-W78 HydrophobicContact CG2-CE3 4.41Å; V58-W78 HydrophobicContact CG2-CZ3 4.1Å; R63-W78 VanDerWaalsContact O-CA 3.31Å; R63-W78 WeakPolarHBondContact O-CA 3.47Å; N64-W78 VanDerWaalsContact OD1-CD1 3.24Å; N64-W78 PolarHBondContact OD1-NE1 3.27Å; W78-I80 HydrophobicContact CB-CG1 4.45Å; W78-R121 HydrophobicContact CD2-CG 3.99Å; W78-R121 HydrophobicContact CE3-CB 4.41Å; W78-R121 HydrophobicContact CE3-CG 4Å; W78-R121 HydrophobicContact CH2-CG 4.18Å; W78-R121 HydrophobicContact CZ2-CG 4.15Å; W78-R121 HydrophobicContact CZ3-CG 4.08Å; W78-R121 VanDerWaalsContact NE1-NE 3.16Å; W78-I127 HydrophobicContact CH2-CD1 4.3Å; W78-I127 HydrophobicContact CZ3-CD1 3.69Å; W78-Y130 HydrophobicContact CE3-CE2 4.4Å; W78-Y130 HydrophobicContact CZ3-CE2 4.45Å; W78-I141 WeakPolarHBondContact O-CA 3.4Å; W78-A142 PolarHBondContact N-O 3.1Å; W78-A142 PolarHBondContact O-N 2.77Å
79Q98.4Very high95Very high0 Ų047.6 Ų47.60%025%0.253CS..EExtended strand (participates in β ladder)trans-108123.3162.2175.5-175.9300107.8S62 R63 F65 L81 F99 V140 I141S62-Q79 CarbonylContact C-O 3.58Å; S62-Q79 WeakPolarHBondContact CA-O 3.47Å; S62-Q79 VanDerWaalsContact CB-O 3.24Å; S62-Q79 WeakPolarHBondContact CB-O 3.48Å; R63-Q79 HydrophobicContact CG-CB 3.97Å; R63-Q79 PolarHBondContact N-O 3.29Å; R63-Q79 PolarHBondContact O-N 2.84Å; F65-Q79 HydrophobicContact CE1-CB 4.09Å; Q79-L81 HydrophobicContact CG-CD2 4.44Å; Q79-F99 HydrophobicContact CG-CD1 4.39Å; Q79-F99 PolarHBondContact NE2-O 3.2Å; Q79-V140 WeakPolarHBondContact CA-O 3.44Å; Q79-I141 HydrophobicContact CB-CD1 3.72Å; Q79-I141 HydrophobicContact CG-CD1 3.69Å
80I98.2Very high93.9Very high0 Ų049.3 Ų49.30%026%0.259CS..EExtended strand (participates in β ladder)trans-116.2129179.7-49.9168.5000107.5V58 W78 Y130 S134 V140V58-I80 HydrophobicContact CG1-CD1 4.01Å; V58-I80 HydrophobicContact CG1-CG1 4.1Å; V58-I80 HydrophobicContact CG1-CG2 3.68Å; V58-I80 HydrophobicContact CG2-CD1 4.16Å; W78-I80 HydrophobicContact CB-CG1 4.45Å; I80-Y130 HydrophobicContact CD1-CD2 3.6Å; I80-Y130 HydrophobicContact CD1-CE2 4.48Å; I80-Y130 HydrophobicContact CD1-CG 3.83Å; I80-S134 WeakPolarHBondContact CG2-OG 3.27Å; I80-V140 HydrophobicContact CB-CB 4.2Å; I80-V140 PolarHBondContact N-O 2.79Å; I80-V140 PolarHBondContact O-N 3.42Å
81L97.9Very high92.8Very high0 Ų050.9 Ų50.90%028%0.277CS..  trans-84.6151.9-172.2-61178.7000112.5E61 Q79 F99 L102 S134 H139E61-L81 HydrophobicContact CB-CD1 4.13Å; E61-L81 HydrophobicContact CG-CD1 4.08Å; E61-L81 WeakPolarHBondContact O-CB 3.39Å; E61-L81 VanDerWaalsContact O-CG 3.31Å; E61-L81 WeakPolarHBondContact O-CG 3.42Å; E61-L81 PolarHBondContact O-N 3.06Å; Q79-L81 HydrophobicContact CG-CD2 4.44Å; L81-F99 HydrophobicContact CD1-CD1 4.18Å; L81-F99 HydrophobicContact CD1-CE1 3.7Å; L81-F99 HydrophobicContact CD1-CZ 4.46Å; L81-F99 HydrophobicContact CD2-CD1 3.96Å; L81-F99 HydrophobicContact CD2-CE1 4.12Å; L81-F99 HydrophobicContact CG-CD1 4.22Å; L81-F99 HydrophobicContact CG-CE1 3.84Å; L81-L102 HydrophobicContact CD1-CD1 3.86Å; L81-L102 HydrophobicContact CD2-CB 4.27Å; L81-L102 HydrophobicContact CD2-CD1 4.27Å; L81-S134 WeakPolarHBondContact O-CB 3.11Å; L81-S134 PolarHBondContact O-OG 3.12Å; L81-H139 VanDerWaalsContact CD2-CE1 3.41Å; L81-H139 WeakPolarHBondContact CD2-CE1 3.4Å
82P98.2Very high92Very high0 Ų048.4 Ų48.40%026%0.259CS..  trans-50.5144.7163.9-28.234.1000111.7A84 L85 Y86 Y108 N137 H139P82-A84 PolarHBondContact O-N 3.19Å; P82-L85 HydrophobicContact CB-CB 4.46Å; P82-L85 HydrophobicContact CB-CD1 4.38Å; P82-L85 HydrophobicContact CB-CG 4.21Å; P82-L85 HydrophobicContact CG-CD1 3.94Å; P82-L85 HydrophobicContact CG-CG 4.32Å; P82-L85 PolarHBondContact O-N 2.9Å; P82-Y86 PolarHBondContact O-N 3.32Å; P82-Y108 HydrophobicContact CB-CD1 3.77Å; P82-Y108 HydrophobicContact CB-CE1 4.24Å; P82-Y108 HydrophobicContact CB-CG 4.45Å; P82-Y108 HydrophobicContact CG-CD1 3.73Å; P82-Y108 HydrophobicContact CG-CG 3.94Å; P82-N137 HydrophobicContact CB-CB 4.19Å; P82-H139 WeakPolarHBondContact CD-CE1 3.42Å; P82-H139 VanDerWaalsContact CD-CG 3.48Å; P82-H139 VanDerWaalsContact CD-ND1 3.33Å; P82-H139 WeakPolarHBondContact CD-ND1 3.34Å; P82-H139 WeakPolarHBondContact CD-NE2 3.44Å; P82-H139 VanDerWaalsContact CG-CD2 3.44Å; P82-H139 WeakPolarHBondContact CG-CD2 3.36Å
83K96.9Very high91.4Very high97 Ų9750.8 Ų50.842%0.42227%0.266SS..G310 helixtrans-52.1-40.3171.9174.9178.3-168.8174.60112.5Y60 L85 Y86 S134 E135Y60-K83 HydrophobicContact CD1-CB 4.18Å; Y60-K83 HydrophobicContact CE1-CB 3.56Å; Y60-K83 HydrophobicContact CE1-CD 4.27Å; Y60-K83 HydrophobicContact CE1-CG 3.62Å; Y60-K83 WeakPolarHBondContact OH-CD 3.34Å; K83-L85 PolarHBondContact O-N 3Å; K83-Y86 WeakPolarHBondContact O-CB 3.47Å; K83-Y86 PolarHBondContact O-N 2.81Å; K83-S134 VanDerWaalsContact CB-O 3.25Å; K83-S134 WeakPolarHBondContact CB-O 3.3Å; K83-S134 PolarHBondContact N-O 3.38Å; K83-E135 VanDerWaalsContact CD-OE2 3.25Å; K83-E135 WeakPolarHBondContact CD-OE2 3.47Å; K83-E135 WeakPolarHBondContact CE-OE2 3.25Å; K83-E135 IonicContact NZ-OE2 3.51Å; K83-E135 PolarHBondContact NZ-OE2 3.29Å
84A96.8Very high91.1Very high58 Ų5851.4 Ų51.448%0.47927%0.267SS..G310 helixtrans-65.3-20.5178.800000114.3P82 Y108 N137P82-A84 PolarHBondContact O-N 3.19Å; A84-Y108 HydrophobicContact CB-CE1 3.77Å; A84-N137 WeakPolarHBondContact CB-OD1 3.4Å; A84-N137 PolarHBondContact N-OD1 3.34Å
85L95.2Very high90.9Very high11 Ų1152.3 Ų52.36%0.05827%0.274CS..G310 helixtrans-99.7-1.6178.7-59.6-177.6000113P82 K83 R87 R94 L102 K105 Y108 H139P82-L85 HydrophobicContact CB-CB 4.46Å; P82-L85 HydrophobicContact CB-CD1 4.38Å; P82-L85 HydrophobicContact CB-CG 4.21Å; P82-L85 HydrophobicContact CG-CD1 3.94Å; P82-L85 HydrophobicContact CG-CG 4.32Å; P82-L85 PolarHBondContact O-N 2.9Å; K83-L85 PolarHBondContact O-N 3Å; L85-R87 PolarHBondContact O-N 2.93Å; L85-R94 PolarHBondContact O-NH1 2.89Å; L85-R94 PolarHBondContact O-NH2 2.72Å; L85-L102 HydrophobicContact CD1-CB 4.45Å; L85-L102 HydrophobicContact CD1-CD2 4.16Å; L85-L102 HydrophobicContact CD2-CD2 4.38Å; L85-K105 HydrophobicContact CD1-CD 4.41Å; L85-K105 HydrophobicContact CD2-CD 3.81Å; L85-K105 VanDerWaalsContact CD2-NZ 3.31Å; L85-Y108 HydrophobicContact CD1-CD1 4.47Å; L85-Y108 HydrophobicContact CD1-CD2 3.79Å; L85-Y108 HydrophobicContact CD1-CE2 3.92Å; L85-Y108 HydrophobicContact CD1-CG 4.07Å; L85-Y108 HydrophobicContact CD2-CD2 4.38Å; L85-Y108 HydrophobicContact CD2-CE1 4.45Å; L85-Y108 HydrophobicContact CD2-CE2 3.65Å; L85-Y108 HydrophobicContact CG-CD2 4.3Å; L85-Y108 HydrophobicContact CG-CE1 4.22Å; L85-Y108 HydrophobicContact CG-CE2 3.98Å; L85-H139 WeakPolarHBondContact CD1-NE2 3.46Å
86Y90Very high90.6Very high76 Ų7657 Ų5730%0.29830%0.296SS..  trans-69.3122.9178.1179.1-117.6000111.9Y60 E61 P82 K83 Q90Y60-Y86 HydrophobicContact CD1-CD2 4.31Å; Y60-Y86 HydrophobicContact CD1-CG 4.07Å; E61-Y86 HydrophobicContact CB-CD2 3.64Å; E61-Y86 HydrophobicContact CB-CE2 4.01Å; P82-Y86 PolarHBondContact O-N 3.32Å; K83-Y86 WeakPolarHBondContact O-CB 3.47Å; K83-Y86 PolarHBondContact O-N 2.81Å; Y86-Q90 PolarHBondContact OH-NE2 2.84Å
87R87.3Confident90.5Very high66 Ų6661.2 Ų61.225%0.24932%0.322CS..  trans-84.7127.9170.9-66.5178.6-62.6153.116.7109.4E61 L85 D89 T92E61-R87 IonicContact OE1-CZ 3.9Å; E61-R87 IonicContact OE1-NE 2.68Å; E61-R87 PolarHBondContact OE1-NE 3.47Å; E61-R87 IonicContact OE1-NH2 3.74Å; E61-R87 PolarHBondContact OE1-NH2 3.4Å; E61-R87 PolarHBondContact OE2-N 3.44Å; E61-R87 IonicContact OE2-NE 2.73Å; L85-R87 PolarHBondContact O-N 2.93Å; R87-D89 VanDerWaalsContact C-N 3.27Å; R87-D89 PolarHBondContact O-N 2.7Å; R87-T92 PolarHBondContact NH2-O 2.87Å
88R77Confident90.3Very high237 Ų23764.6 Ų64.689%0.89434%0.338SS*.SBendtrans-65.4-34.1173-71.5-172.8-177.4177.61.4111.9
89D78.6Confident90.2Very high106 Ų10665 Ų6557%0.56734%0.34SS*.  trans-88.1109.5172.6-175.84.2000109.5R87 S91R87-D89 VanDerWaalsContact C-N 3.27Å; R87-D89 PolarHBondContact O-N 2.7Å; D89-S91 VanDerWaalsContact CG-OG 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.4Å; D89-S91 PolarHBondContact OD1-N 3.24Å; D89-S91 PolarHBondContact OD1-OG 3.16Å; D89-S91 PolarHBondContact OD2-OG 3.22Å
90Q74.9Confident90.1Very high66 Ų6667.3 Ų67.331%0.30835%0.352SS..  trans-103.819.5175-62-171.913.500112.2Y86 T92Y86-Q90 PolarHBondContact OH-NE2 2.84Å; Q90-T92 PolarHBondContact O-N 3.48Å
91S74.3Confident90.1Very high93 Ų9373.3 Ų73.365%0.6538%0.38SS*.SBendtrans-59.6-26.4177.759.30000112.7D89D89-S91 VanDerWaalsContact CG-OG 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.4Å; D89-S91 PolarHBondContact OD1-N 3.24Å; D89-S91 PolarHBondContact OD1-OG 3.16Å; D89-S91 PolarHBondContact OD2-OG 3.22Å
92T79.5Confident90Very high85 Ų8574.5 Ų74.552%0.52139%0.386SS..SBendtrans-120.8122.7173.757.40000111.3R87 Q90R87-T92 PolarHBondContact NH2-O 2.87Å; Q90-T92 PolarHBondContact O-N 3.48Å
93S85.1Confident90Very high115 Ų11574.5 Ų74.580%0.80439%0.386SS*.PPolyproline II helixtrans-66.3135.5170.4-600000110
94R91.8Very high90Very high34 Ų3471.7 Ų71.713%0.12838%0.381CS..PPolyproline II helixtrans-60.8144.7167.8-95.3166.8-168.1150.7-8.2110.4E61 L85 E98 F99E61-R94 VanDerWaalsContact OE1-CD 3.3Å; E61-R94 WeakPolarHBondContact OE1-CD 3.45Å; E61-R94 IonicContact OE1-CZ 2.73Å; E61-R94 IonicContact OE1-NE 3.41Å; E61-R94 IonicContact OE1-NH1 3.63Å; E61-R94 PolarHBondContact OE1-NH1 3Å; E61-R94 IonicContact OE2-CZ 3.25Å; E61-R94 IonicContact OE2-NH1 3.78Å; E61-R94 PolarHBondContact OE2-NH1 3.02Å; L85-R94 PolarHBondContact O-NH1 2.89Å; L85-R94 PolarHBondContact O-NH2 2.72Å; R94-E98 WeakPolarHBondContact CA-OE2 3.34Å; R94-E98 HydrophobicContact CB-CB 4.11Å; R94-E98 HydrophobicContact CG-CB 3.81Å; R94-E98 HydrophobicContact CG-CG 4.44Å; R94-F99 HydrophobicContact CB-CD2 3.71Å; R94-F99 HydrophobicContact CB-CE2 3.45Å; R94-F99 VanDerWaalsContact CB-CE2 3.45Å; R94-F99 HydrophobicContact CB-CZ 4.27Å
95S93.6Very high90Very high54 Ų5473.6 Ų73.638%0.37838%0.379SS..PPolyproline II helixtrans-70.3160.7167.164.30000111.6T97 E98 F99S95-T97 PolarHBondContact O-N 3.38Å; S95-E98 WeakPolarHBondContact CB-OE2 3.43Å; S95-E98 PolarHBondContact N-OE2 2.88Å; S95-E98 PolarHBondContact O-N 3.09Å; S95-E98 WeakPolarHBondContact OG-CG 3.13Å; S95-E98 PolarHBondContact OG-N 3.26Å; S95-E98 PolarHBondContact OG-OE2 3.39Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.97Å
96E93.5Very high90Very high98 Ų9877.6 Ų77.646%0.45840%0.397SS..Hα-helixtrans-57.2-36.9174.6-64.7-60.2138.900112.3R63 F99 D100R63-E96 WeakPolarHBondContact CD-OE2 3.24Å; R63-E96 IonicContact CZ-OE2 3.23Å; R63-E96 IonicContact NE-OE2 3.59Å; R63-E96 PolarHBondContact NH1-O 3.35Å; R63-E96 IonicContact NH1-OE2 2.7Å; R63-E96 PolarHBondContact NH1-OE2 3.22Å; E96-F99 PolarHBondContact O-N 3.12Å; E96-D100 PolarHBondContact O-N 2.98Å; E96-D100 VanDerWaalsContact O-N 3.08Å
97T95.2Very high90.2Very high90 Ų9076.9 Ų76.955%0.55241%0.413SS*.Hα-helixtrans-65.4-42.9177.5-54.60000111.7S95 F99 D100 E101S95-T97 PolarHBondContact O-N 3.38Å; T97-F99 VanDerWaalsContact C-N 3.27Å; T97-F99 PolarHBondContact O-N 3.08Å; T97-D100 PolarHBondContact O-N 2.9Å; T97-D100 VanDerWaalsContact O-N 3.15Å; T97-E101 WeakPolarHBondContact O-CG 3.49Å; T97-E101 PolarHBondContact O-N 3.23Å
98E95.7Very high90.7Very high71 Ų7175.8 Ų75.833%0.33241%0.409SS..Hα-helixtrans-62.8-35.5176.4-73.5167.798.300111.9R94 S95 L102R94-E98 WeakPolarHBondContact CA-OE2 3.34Å; R94-E98 HydrophobicContact CB-CB 4.11Å; R94-E98 HydrophobicContact CG-CB 3.81Å; R94-E98 HydrophobicContact CG-CG 4.44Å; S95-E98 WeakPolarHBondContact CB-OE2 3.43Å; S95-E98 PolarHBondContact N-OE2 2.88Å; S95-E98 PolarHBondContact O-N 3.09Å; S95-E98 WeakPolarHBondContact OG-CG 3.13Å; S95-E98 PolarHBondContact OG-N 3.26Å; S95-E98 PolarHBondContact OG-OE2 3.39Å; E98-L102 WeakPolarHBondContact O-CB 3.33Å; E98-L102 WeakPolarHBondContact O-CG 3.46Å; E98-L102 PolarHBondContact O-N 2.94Å
99F96.9Very high91.7Very high9 Ų965 Ų654%0.03937%0.37CS..Hα-helixtrans-67.5-37.6174.1-87.5-80.8000112.9E61 R63 Q79 L81 R94 S95 E96 T97 L103E61-F99 HydrophobicContact CG-CZ 4.21Å; R63-F99 HydrophobicContact CB-CD1 4.27Å; R63-F99 HydrophobicContact CB-CD2 3.98Å; R63-F99 HydrophobicContact CB-CE1 4.04Å; R63-F99 HydrophobicContact CB-CE2 3.74Å; R63-F99 HydrophobicContact CB-CG 4.25Å; R63-F99 HydrophobicContact CB-CZ 3.78Å; R63-F99 HydrophobicContact CG-CB 4.31Å; R63-F99 HydrophobicContact CG-CD1 3.74Å; R63-F99 HydrophobicContact CG-CD2 3.99Å; R63-F99 HydrophobicContact CG-CE1 3.95Å; R63-F99 HydrophobicContact CG-CE2 4.19Å; R63-F99 HydrophobicContact CG-CG 3.77Å; R63-F99 HydrophobicContact CG-CZ 4.18Å; Q79-F99 HydrophobicContact CG-CD1 4.39Å; Q79-F99 PolarHBondContact NE2-O 3.2Å; L81-F99 HydrophobicContact CD1-CD1 4.18Å; L81-F99 HydrophobicContact CD1-CE1 3.7Å; L81-F99 HydrophobicContact CD1-CZ 4.46Å; L81-F99 HydrophobicContact CD2-CD1 3.96Å; L81-F99 HydrophobicContact CD2-CE1 4.12Å; L81-F99 HydrophobicContact CG-CD1 4.22Å; L81-F99 HydrophobicContact CG-CE1 3.84Å; R94-F99 HydrophobicContact CB-CD2 3.71Å; R94-F99 HydrophobicContact CB-CE2 3.45Å; R94-F99 VanDerWaalsContact CB-CE2 3.45Å; R94-F99 HydrophobicContact CB-CZ 4.27Å; S95-F99 WeakPolarHBondContact O-CD2 3.36Å; S95-F99 PolarHBondContact O-N 2.97Å; E96-F99 PolarHBondContact O-N 3.12Å; T97-F99 VanDerWaalsContact C-N 3.27Å; T97-F99 PolarHBondContact O-N 3.08Å; F99-L103 PolarHBondContact O-N 3.29Å; F99-L103 VanDerWaalsContact O-N 3.09Å
100D96.1Very high92.6Very high47 Ų4760 Ų6025%0.25134%0.343SS..Hα-helixtrans-65.6-44.1173.8-77.3-0.8000111R63 E96 T97 L102 L103 A104 R174R63-D100 IonicContact CZ-OD1 3.65Å; R63-D100 IonicContact NH1-OD1 3.2Å; R63-D100 PolarHBondContact NH1-OD1 3.42Å; R63-D100 IonicContact NH2-OD1 3.62Å; R63-D100 PolarHBondContact NH2-OD1 2.99Å; E96-D100 PolarHBondContact O-N 2.98Å; E96-D100 VanDerWaalsContact O-N 3.08Å; T97-D100 PolarHBondContact O-N 2.9Å; T97-D100 VanDerWaalsContact O-N 3.15Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.43Å; D100-L103 WeakPolarHBondContact O-CB 3.23Å; D100-L103 PolarHBondContact O-N 2.98Å; D100-L103 VanDerWaalsContact O-N 3.14Å; D100-A104 PolarHBondContact O-N 3.25Å; D100-A104 VanDerWaalsContact O-N 3.15Å; D100-R174 IonicContact OD1-NE 3.52Å; D100-R174 IonicContact OD2-NE 2.74Å; D100-R174 PolarHBondContact OD2-NE 3.09Å
101E96.9Very high93.8Very high127 Ų12756.9 Ų56.959%0.59333%0.329SS*.Hα-helixtrans-60.8-39.3176.3-72.7173.8179.200112.3T97 A104 K105T97-E101 WeakPolarHBondContact O-CG 3.49Å; T97-E101 PolarHBondContact O-N 3.23Å; E101-A104 PolarHBondContact O-N 3.39Å; E101-K105 PolarHBondContact O-N 3.46Å
102L97.3Very high95Very high24 Ų2452.4 Ų52.413%0.12630%0.298CS..Hα-helixtrans-69.2-33.8175.7-69.4172000112.4L81 L85 E98 D100 A104 K105 H139L81-L102 HydrophobicContact CD1-CD1 3.86Å; L81-L102 HydrophobicContact CD2-CB 4.27Å; L81-L102 HydrophobicContact CD2-CD1 4.27Å; L85-L102 HydrophobicContact CD1-CB 4.45Å; L85-L102 HydrophobicContact CD1-CD2 4.16Å; L85-L102 HydrophobicContact CD2-CD2 4.38Å; E98-L102 WeakPolarHBondContact O-CB 3.33Å; E98-L102 WeakPolarHBondContact O-CG 3.46Å; E98-L102 PolarHBondContact O-N 2.94Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 3.43Å; L102-A104 PolarHBondContact O-N 3.42Å; L102-K105 HydrophobicContact CD2-CD 4.32Å; L102-K105 VanDerWaalsContact O-CB 3.32Å; L102-K105 WeakPolarHBondContact O-CB 3.48Å; L102-K105 PolarHBondContact O-N 2.93Å; L102-K105 VanDerWaalsContact O-N 3.16Å; L102-H139 PolarHBondContact O-NE2 3.37Å
103L97.5Very high95.9Very high0 Ų048.4 Ų48.40%027%0.273CS..Hα-helixtrans-63.6-33.6174.1-165.364000111.6F99 D100 K105 I110 H139 I141 W170 R174 N178F99-L103 PolarHBondContact O-N 3.29Å; F99-L103 VanDerWaalsContact O-N 3.09Å; D100-L103 WeakPolarHBondContact O-CB 3.23Å; D100-L103 PolarHBondContact O-N 2.98Å; D100-L103 VanDerWaalsContact O-N 3.14Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-I110 HydrophobicContact CD1-CD1 3.57Å; L103-I110 HydrophobicContact CD1-CG1 3.83Å; L103-I110 HydrophobicContact CD1-CG2 4.3Å; L103-I110 HydrophobicContact CG-CD1 3.91Å; L103-H139 HydrophobicContact CD1-CB 4.31Å; L103-I141 HydrophobicContact CD1-CD1 4.22Å; L103-W170 HydrophobicContact CD2-CH2 3.89Å; L103-W170 HydrophobicContact CD2-CZ3 3.78Å; L103-R174 HydrophobicContact CD2-CB 3.84Å; L103-N178 PolarHBondContact O-ND2 3.49Å; L103-N178 VanDerWaalsContact O-ND2 3.09Å
104A97.1Very high96.5Very high39 Ų3943 Ų4332%0.32224%0.235SC..THydrogen-bonded Turntrans-79.3-11.8175.700000114.1D100 E101 L102 Q106 R174D100-A104 PolarHBondContact O-N 3.25Å; D100-A104 VanDerWaalsContact O-N 3.15Å; E101-A104 PolarHBondContact O-N 3.39Å; L102-A104 PolarHBondContact O-N 3.42Å; A104-Q106 PolarHBondContact O-N 3.02Å; A104-R174 WeakPolarHBondContact CA-O 3.5Å; A104-R174 WeakPolarHBondContact CB-O 3.34Å; A104-R174 PolarHBondContact N-O 2.98Å
105K96.3Very high96.8Very high97 Ų9741.3 Ų41.342%0.42223%0.229SC..  trans-71.1114-174.5-174.4178.6178.9-174.90110.5L85 E101 L102 L103 Y108 N178L85-K105 HydrophobicContact CD1-CD 4.41Å; L85-K105 HydrophobicContact CD2-CD 3.81Å; L85-K105 VanDerWaalsContact CD2-NZ 3.31Å; E101-K105 PolarHBondContact O-N 3.46Å; L102-K105 HydrophobicContact CD2-CD 4.32Å; L102-K105 VanDerWaalsContact O-CB 3.32Å; L102-K105 WeakPolarHBondContact O-CB 3.48Å; L102-K105 PolarHBondContact O-N 2.93Å; L102-K105 VanDerWaalsContact O-N 3.16Å; L103-K105 VanDerWaalsContact C-N 3.33Å; K105-Y108 HydrophobicContact CB-CD2 4.48Å; K105-Y108 HydrophobicContact CD-CD2 4.36Å; K105-Y108 HydrophobicContact CD-CE2 3.9Å; K105-Y108 HydrophobicContact CG-CD2 4.22Å; K105-Y108 HydrophobicContact CG-CE2 4.11Å; K105-Y108 WeakPolarHBondContact O-CD2 3.44Å; K105-N178 PolarHBondContact O-ND2 3.17Å; K105-N178 PolarHBondContact O-OD1 3.11Å
106Q95Very high96.9Very high95 Ų9538.8 Ų38.844%0.44421%0.211SC..THydrogen-bonded Turntrans-55.7151.5-176.9-62.8-66.3-12.300113.7A104 D177 N178A104-Q106 PolarHBondContact O-N 3.02Å; Q106-D177 PolarHBondContact NE2-OD2 3.2Å; Q106-D177 VanDerWaalsContact NE2-OD2 3.1Å; Q106-N178 WeakPolarHBondContact CA-OD1 3.48Å
107G95.1Very high96.9Very high62 Ų6236.2 Ų36.264%0.63920%0.201SC*.THydrogen-bonded Turntrans89.48.7176.300000114.3N178G107-N178 PolarHBondContact N-OD1 3.35Å
108Y97.2Very high96.6Very high42 Ų4232.7 Ų32.717%0.16518%0.179CC..  trans-129.685.8178.5-57.9-74000109.6P82 A84 L85 K105 N137 H139 N178P82-Y108 HydrophobicContact CB-CD1 3.77Å; P82-Y108 HydrophobicContact CB-CE1 4.24Å; P82-Y108 HydrophobicContact CB-CG 4.45Å; P82-Y108 HydrophobicContact CG-CD1 3.73Å; P82-Y108 HydrophobicContact CG-CG 3.94Å; A84-Y108 HydrophobicContact CB-CE1 3.77Å; L85-Y108 HydrophobicContact CD1-CD1 4.47Å; L85-Y108 HydrophobicContact CD1-CD2 3.79Å; L85-Y108 HydrophobicContact CD1-CE2 3.92Å; L85-Y108 HydrophobicContact CD1-CG 4.07Å; L85-Y108 HydrophobicContact CD2-CD2 4.38Å; L85-Y108 HydrophobicContact CD2-CE1 4.45Å; L85-Y108 HydrophobicContact CD2-CE2 3.65Å; L85-Y108 HydrophobicContact CG-CD2 4.3Å; L85-Y108 HydrophobicContact CG-CE1 4.22Å; L85-Y108 HydrophobicContact CG-CE2 3.98Å; K105-Y108 HydrophobicContact CB-CD2 4.48Å; K105-Y108 HydrophobicContact CD-CD2 4.36Å; K105-Y108 HydrophobicContact CD-CE2 3.9Å; K105-Y108 HydrophobicContact CG-CD2 4.22Å; K105-Y108 HydrophobicContact CG-CE2 4.11Å; K105-Y108 WeakPolarHBondContact O-CD2 3.44Å; Y108-N137 HydrophobicContact CD1-CB 4.14Å; Y108-N137 WeakPolarHBondContact CD1-O 3.48Å; Y108-N137 HydrophobicContact CE1-CB 4.3Å; Y108-H139 VanDerWaalsContact CB-CD2 3.44Å; Y108-H139 WeakPolarHBondContact CB-CD2 3.24Å; Y108-N178 PolarHBondContact N-OD1 3.12Å; Y108-N178 PolarHBondContact O-OD1 3.23Å
109P97.8Very high96.4Very high12 Ų1233.3 Ų33.38%0.07818%0.178CC..  trans-55.5149.5178.9-21.530.9000112.1L138 H139 P179 L181 V326 I330P109-L138 HydrophobicContact CB-CD2 3.87Å; P109-L138 HydrophobicContact CG-CD2 4.09Å; P109-L138 WeakPolarHBondContact O-CA 3.46Å; P109-H139 PolarHBondContact O-N 2.99Å; P109-P179 WeakPolarHBondContact CA-O 3.41Å; P109-P179 HydrophobicContact CB-CB 4.34Å; P109-L181 HydrophobicContact CB-CD1 3.65Å; P109-V326 HydrophobicContact CB-CG1 4.42Å; P109-V326 HydrophobicContact CG-CG1 4.05Å; P109-I330 HydrophobicContact CG-CD1 3.85Å
110I98.6Very high96.3Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-108.5122.8-172.7-57.8160.7000109.3L103 H139 I141 I171 N178 P179 I180 L181L103-I110 HydrophobicContact CD1-CD1 3.57Å; L103-I110 HydrophobicContact CD1-CG1 3.83Å; L103-I110 HydrophobicContact CD1-CG2 4.3Å; L103-I110 HydrophobicContact CG-CD1 3.91Å; I110-H139 CarbonylContact C-O 3.49Å; I110-H139 WeakPolarHBondContact CA-O 3.5Å; I110-H139 HydrophobicContact CB-CB 4.22Å; I110-H139 HydrophobicContact CG1-CB 3.81Å; I110-H139 HydrophobicContact CG2-CB 4.25Å; I110-I141 HydrophobicContact CG2-CG1 3.87Å; I110-I171 HydrophobicContact CD1-CG2 4.01Å; I110-I171 HydrophobicContact CG2-CG2 3.96Å; I110-N178 HydrophobicContact CD1-CB 4.06Å; I110-N178 HydrophobicContact CG1-CB 4.36Å; I110-P179 PolarHBondContact N-O 3.48Å; I110-I180 CarbonylContact O-C 3.59Å; I110-I180 WeakPolarHBondContact O-CA 3.3Å; I110-L181 PolarHBondContact O-N 3.39Å
111V98.8Very high96.4Very high0 Ų030.7 Ų30.70%017%0.165CC..EExtended strand (participates in β ladder)trans-94.3115.5169.8179.30000109.3L133 L138 H139 V140 I141 L181 W183V111-L133 HydrophobicContact CB-CD1 4.33Å; V111-L133 HydrophobicContact CG1-CD1 3.98Å; V111-L133 HydrophobicContact CG2-CD1 4.47Å; V111-L133 HydrophobicContact CG2-CD2 4.41Å; V111-L138 HydrophobicContact CG2-CB 4.17Å; V111-L138 HydrophobicContact CG2-CD1 3.88Å; V111-H139 PolarHBondContact N-O 3.15Å; V111-V140 WeakPolarHBondContact O-CA 3.46Å; V111-I141 PolarHBondContact O-N 2.85Å; V111-L181 WeakPolarHBondContact CA-O 3.39Å; V111-L181 HydrophobicContact CG2-CB 4.4Å; V111-W183 HydrophobicContact CG1-CB 3.56Å; V111-W183 HydrophobicContact CG1-CE3 4.45Å; V111-W183 HydrophobicContact CG1-CG 4.43Å
112M98.8Very high96.4Very high0 Ų025.2 Ų25.20%014%0.141CC..EExtended strand (participates in β ladder)trans-85.2105.8165.3-178.3175.7166.700108.6M114 F143 V164 V167 Y168 I171 L181 L182 W183 L195M112-M114 HydrophobicContact CE-CG 4.49Å; M112-M114 HydrophobicContact CE-SD 4.31Å; M112-M114 HydrophobicContact CG-CE 4.4Å; M112-M114 WeakPolarHBondContact O-CE 3.45Å; M112-F143 HydrophobicContact CE-CE1 3.55Å; M112-F143 HydrophobicContact CE-CZ 3.43Å; M112-F143 VanDerWaalsContact CE-CZ 3.43Å; M112-F143 HydrophobicContact CG-CE1 3.88Å; M112-V164 HydrophobicContact CE-CB 3.87Å; M112-V164 HydrophobicContact CE-CG1 4.3Å; M112-V164 WeakPolarHBondContact CE-O 3.37Å; M112-V167 HydrophobicContact CE-CB 3.67Å; M112-V167 HydrophobicContact CE-CG1 3.64Å; M112-V167 HydrophobicContact CG-CG1 4.33Å; M112-V167 HydrophobicContact SD-CG1 4.03Å; M112-Y168 HydrophobicContact SD-CD2 4.01Å; M112-I171 HydrophobicContact CB-CD1 3.82Å; M112-I171 HydrophobicContact CG-CD1 3.88Å; M112-I171 HydrophobicContact SD-CD1 3.92Å; M112-L181 PolarHBondContact N-O 3.46Å; M112-L182 HydrophobicContact CB-CD2 4.21Å; M112-L182 HydrophobicContact SD-CD2 4.18Å; M112-W183 PolarHBondContact O-N 3.01Å; M112-L195 HydrophobicContact CE-CD2 3.99Å; M112-L195 HydrophobicContact SD-CD2 4.05Å
113Y98.9Very high96.3Very high1 Ų124.5 Ų24.50%0.00414%0.138CC..EExtended strand (participates in β ladder)trans-94.3117.6-173.4-167.1-82.1000112H115 R126 M129 Y130 L133 I141 W183Y113-H115 HydrophobicContact CD1-CB 4.49Å; Y113-H115 HydrophobicContact CE1-CB 4.16Å; Y113-R126 HydrophobicContact CE1-CG 4.36Å; Y113-M129 HydrophobicContact CD2-CG 4.4Å; Y113-M129 HydrophobicContact CE2-CB 4.43Å; Y113-M129 HydrophobicContact CE2-CG 3.62Å; Y113-Y130 AromaticContact CD1-CE1 3.53Å; Y113-Y130 HydrophobicContact CD1-CE1 3.53Å; Y113-Y130 HydrophobicContact CD2-CD1 4.46Å; Y113-Y130 AromaticContact CD2-CE1 4Å; Y113-Y130 HydrophobicContact CD2-CE1 4Å; Y113-Y130 AromaticContact CE1-CE1 3.84Å; Y113-Y130 HydrophobicContact CE1-CE1 3.84Å; Y113-Y130 HydrophobicContact CE2-CE1 4.31Å; Y113-Y130 HydrophobicContact CG-CD1 4.38Å; Y113-Y130 AromaticContact CG-CE1 3.6Å; Y113-Y130 HydrophobicContact CG-CE1 3.6Å; Y113-L133 HydrophobicContact CD2-CD1 4.39Å; Y113-I141 PolarHBondContact N-O 3.06Å; Y113-W183 HydrophobicContact CD2-CB 4.03Å; Y113-W183 AromaticContact CD2-CD1 3.59Å; Y113-W183 HydrophobicContact CD2-CD2 4.38Å; Y113-W183 AromaticContact CD2-CG 3.74Å; Y113-W183 HydrophobicContact CD2-CG 3.74Å; Y113-W183 AromaticContact CE2-CD1 3.26Å; Y113-W183 HydrophobicContact CE2-CD2 4.26Å; Y113-W183 AromaticContact CE2-CG 3.82Å; Y113-W183 HydrophobicContact CE2-CG 3.82Å; Y113-W183 AromaticContact CE2-NE1 3.46Å
114M98.8Very high96.2Very high0 Ų027.9 Ų27.90%017%0.166CC..EExtended strand (participates in β ladder)trans-109.2110.1-178.6-76.9163.6-77.300109.6M112 F143 Y145 V164 L182 W183 G184 H185 I191 A192 L195M112-M114 HydrophobicContact CE-CG 4.49Å; M112-M114 HydrophobicContact CE-SD 4.31Å; M112-M114 HydrophobicContact CG-CE 4.4Å; M112-M114 WeakPolarHBondContact O-CE 3.45Å; M114-F143 HydrophobicContact CG-CE1 4.2Å; M114-F143 HydrophobicContact CG-CZ 3.77Å; M114-Y145 VanDerWaalsContact C-OH 3.23Å; M114-Y145 VanDerWaalsContact CA-OH 3.25Å; M114-Y145 WeakPolarHBondContact CA-OH 3.47Å; M114-Y145 WeakPolarHBondContact CB-OH 3.45Å; M114-Y145 HydrophobicContact CG-CE1 4.49Å; M114-V164 HydrophobicContact CG-CG1 4.33Å; M114-V164 HydrophobicContact SD-CG1 4.21Å; M114-L182 HydrophobicContact CE-CB 3.85Å; M114-L182 HydrophobicContact CE-CD2 4.03Å; M114-L182 HydrophobicContact CE-CG 4.41Å; M114-W183 PolarHBondContact N-O 3.28Å; M114-G184 WeakPolarHBondContact O-CA 3.13Å; M114-H185 PolarHBondContact O-N 3.45Å; M114-I191 HydrophobicContact SD-CG2 4.07Å; M114-A192 HydrophobicContact CE-CB 3.36Å; M114-A192 VanDerWaalsContact SD-CA 3.57Å; M114-A192 HydrophobicContact SD-CB 3.72Å; M114-L195 HydrophobicContact SD-CD2 4.47Å
115H98.1Very high96.1Very high0 Ų026.7 Ų26.70%015%0.154CC..  trans-82.5164.1-171.870.571.6000114Y113 R126 F143 D144 Y145 F148 H185 G188Y113-H115 HydrophobicContact CD1-CB 4.49Å; Y113-H115 HydrophobicContact CE1-CB 4.16Å; H115-R126 PolarHBondContact ND1-NH1 2.67Å; H115-F143 PolarHBondContact CD2-O 3.41Å; H115-D144 IonicContact CD2-OD1 2.65Å; H115-D144 IonicContact NE2-OD1 3.49Å; H115-D144 PolarHBondContact NE2-OD1 2.98Å; H115-Y145 AromaticContact CE1-CD2 3.52Å; H115-Y145 AromaticContact CE1-CE2 3.53Å; H115-Y145 PolarHBondContact N-OH 3.37Å; H115-Y145 VanDerWaalsContact N-OH 3.13Å; H115-Y145 AromaticContact ND1-CE2 3.77Å; H115-Y145 AromaticContact NE2-CD2 3.69Å; H115-Y145 AromaticContact NE2-CE2 3.75Å; H115-Y145 WeakPolarHBondContact O-CE2 3.47Å; H115-Y145 PolarHBondContact O-OH 2.88Å; H115-Y145 VanDerWaalsContact O-OH 3.11Å; H115-F148 AromaticContact CE1-CD1 3.8Å; H115-H185 CarbonylContact C-O 3.54Å; H115-G188 PolarHBondContact O-N 2.04Å
116G95.7Very high96.2Very high1 Ų122.1 Ų22.11%0.0113%0.134CC..  trans-72.3-171.8175.900000115H185G116-H185 WeakPolarHBondContact CA-O 3.46Å; G116-H185 PolarHBondContact N-O 3.48Å
117N92Very high96.3Very high44 Ų4417.9 Ų17.924%0.23511%0.114CC..SBendtrans-65.3165.9168.872.3-23.3000111.4I38 R126 L187I38-N117 WeakPolarHBondContact O-CB 3.43Å; N117-R126 PolarHBondContact O-NH2 3.13Å; N117-L187 HydrophobicContact CB-CD2 4.25Å
118T89.7Confident96.5Very high15 Ų1518.6 Ų18.69%0.09210%0.103CC..SBendtrans58.4164.4-17869.80000114.7F39 M40 V43 R126F39-T118 PolarHBondContact O-N 3.19Å; F39-T118 VanDerWaalsContact O-N 3.08Å; M40-T118 HydrophobicContact CB-CG2 3.51Å; M40-T118 HydrophobicContact CE-CG2 4.08Å; M40-T118 HydrophobicContact CG-CG2 4.12Å; M40-T118 HydrophobicContact SD-CG2 3.69Å; V43-T118 HydrophobicContact CB-CG2 4.39Å; V43-T118 HydrophobicContact CG1-CG2 4.49Å; T118-R126 PolarHBondContact O-NH1 3.41Å; T118-R126 PolarHBondContact O-NH2 2.94Å
119W91.6Very high96.5Very high84 Ų8416.6 Ų16.632%0.31810%0.095SC..SBendtrans51.2-161178.6-61.294.5000111.6V43 W45 A123 F148V43-W119 WeakPolarHBondContact O-CA 3.42Å; V43-W119 PolarHBondContact O-N 2.86Å; W45-W119 HydrophobicContact CB-CZ3 3.96Å; W45-W119 HydrophobicContact CE3-CH2 4.31Å; W45-W119 HydrophobicContact CE3-CZ3 4.16Å; W119-A123 HydrophobicContact CB-CB 3.83Å; W119-A123 HydrophobicContact CG-CB 4.41Å; W119-F148 VanDerWaalsContact O-CD1 3.32Å; W119-F148 WeakPolarHBondContact O-CD1 3.49Å
120T95.6Very high96.6Very high1 Ų116 Ų161%0.0069%0.091CC..  trans-146.6178.4-168.662.10000109.2K44 Y50 S122 A123 R126 D144 G149K44-T120 HydrophobicContact CB-CG2 3.8Å; K44-T120 HydrophobicContact CD-CG2 4.46Å; Y50-T120 HydrophobicContact CE1-CG2 4.47Å; Y50-T120 WeakPolarHBondContact CE1-OG1 3.44Å; Y50-T120 VanDerWaalsContact OH-CG2 3.3Å; Y50-T120 WeakPolarHBondContact OH-CG2 3.36Å; Y50-T120 PolarHBondContact OH-OG1 2.76Å; Y50-T120 VanDerWaalsContact OH-OG1 3.08Å; T120-S122 PolarHBondContact O-N 3Å; T120-S122 PolarHBondContact OG1-OG 2.87Å; T120-A123 WeakPolarHBondContact O-CB 3.37Å; T120-A123 PolarHBondContact O-N 3.03Å; T120-R126 WeakPolarHBondContact O-CD 3.43Å; T120-R126 PolarHBondContact O-NH1 3.44Å; T120-D144 VanDerWaalsContact C-OD1 3.28Å; T120-D144 WeakPolarHBondContact CA-OD1 3.37Å; T120-D144 WeakPolarHBondContact CB-OD1 3.09Å; T120-D144 WeakPolarHBondContact CB-OD2 3.3Å; T120-G149 VanDerWaalsContact CG2-CA 3.48Å
121R96.9Very high96.6Very high0 Ų016.5 Ų16.50%09%0.094CC..THydrogen-bonded Turntrans-51.5-21.1175.568.3-168.4-178.1-9816113.2Y50 N64 G76 W78 Y130 D144 D150Y50-R121 HydrophobicContact CD1-CG 4.34Å; N64-R121 PolarHBondContact OD1-NH2 2.71Å; G76-R121 PolarHBondContact O-NH1 3.48Å; W78-R121 HydrophobicContact CD2-CG 3.99Å; W78-R121 HydrophobicContact CE3-CB 4.41Å; W78-R121 HydrophobicContact CE3-CG 4Å; W78-R121 HydrophobicContact CH2-CG 4.18Å; W78-R121 HydrophobicContact CZ2-CG 4.15Å; W78-R121 HydrophobicContact CZ3-CG 4.08Å; W78-R121 VanDerWaalsContact NE1-NE 3.16Å; R121-Y130 VanDerWaalsContact O-CE2 3.24Å; R121-Y130 WeakPolarHBondContact O-CE2 3.47Å; R121-Y130 PolarHBondContact O-OH 2.92Å; R121-D144 WeakPolarHBondContact CG-OD2 3.22Å; R121-D144 IonicContact CZ-OD2 3.47Å; R121-D144 PolarHBondContact N-OD1 3.23Å; R121-D144 PolarHBondContact N-OD2 2.96Å; R121-D144 IonicContact NE-OD2 2.93Å; R121-D144 IonicContact NH1-OD2 2.79Å; R121-D144 PolarHBondContact NH1-OD2 2.96Å; R121-D150 IonicContact CZ-OD1 2.67Å; R121-D150 IonicContact NH1-OD1 3.55Å; R121-D150 PolarHBondContact NH1-OD1 3.46Å; R121-D150 IonicContact NH2-OD1 3.55Å; R121-D150 PolarHBondContact NH2-OD1 3.08Å; R121-D150 IonicContact NH2-OD2 3.7Å; R121-D150 PolarHBondContact NH2-OD2 2.73Å
122S96.6Very high96.5Very high13 Ų1317.4 Ų17.49%0.09110%0.098CC..THydrogen-bonded Turntrans-85.73.4177.367.20000116.2H56 T120 A124H56-S122 VanDerWaalsContact CG-CB 3.49Å; H56-S122 WeakPolarHBondContact ND1-CB 3.4Å; T120-S122 PolarHBondContact O-N 3Å; T120-S122 PolarHBondContact OG1-OG 2.87Å; S122-A124 PolarHBondContact O-N 2.78Å
123A95.6Very high96.5Very high8 Ų817.4 Ų17.47%0.06610%0.098CC..  trans-63.3135.3-179.100000112W119 T120 H125 R126 I127W119-A123 HydrophobicContact CB-CB 3.83Å; W119-A123 HydrophobicContact CG-CB 4.41Å; T120-A123 WeakPolarHBondContact O-CB 3.37Å; T120-A123 PolarHBondContact O-N 3.03Å; A123-H125 PolarHBondContact O-N 3.07Å; A123-H125 VanDerWaalsContact O-N 3.17Å; A123-R126 HydrophobicContact CB-CG 4.06Å; A123-R126 WeakPolarHBondContact O-CA 3.5Å; A123-R126 VanDerWaalsContact O-CB 3.3Å; A123-R126 WeakPolarHBondContact O-CB 3.33Å; A123-R126 PolarHBondContact O-N 3.34Å; A123-I127 PolarHBondContact O-N 2.9Å
124A95.4Very high96.5Very high72 Ų7217.4 Ų17.460%0.59510%0.098SC*.Hα-helixtrans-51.8-45.6-170.400000115.2S122 R126 I127 L128S122-A124 PolarHBondContact O-N 2.78Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.37Å; A124-I127 WeakPolarHBondContact O-CB 3.34Å; A124-I127 PolarHBondContact O-N 2.85Å; A124-L128 WeakPolarHBondContact O-CG 3.37Å; A124-L128 PolarHBondContact O-N 2.66Å
125H95.8Very high96.5Very high13 Ų1321 Ų216%0.0612%0.115CC..Hα-helixtrans-61.5-34.5176.665.7-72.5000113A123 L128 M129 H185 K310 Y311A123-H125 PolarHBondContact O-N 3.07Å; A123-H125 VanDerWaalsContact O-N 3.17Å; H125-L128 PolarHBondContact O-N 3.21Å; H125-M129 PolarHBondContact O-N 3.4Å; H125-H185 AromaticContact NE2-CE1 3.98Å; H125-K310 HydrophobicContact CB-CB 4.33Å; H125-Y311 HydrophobicContact CB-CD1 4.25Å; H125-Y311 HydrophobicContact CB-CE1 4.01Å
126R97.5Very high96.5Very high2 Ų223 Ų231%0.00813%0.126CC..Hα-helixtrans-70.7-41.5176.2-54.8174.5-171.8169.5-5.8110.3Y113 H115 N117 T118 T120 A123 A124 L128 M129 Y130Y113-R126 HydrophobicContact CE1-CG 4.36Å; H115-R126 PolarHBondContact ND1-NH1 2.67Å; N117-R126 PolarHBondContact O-NH2 3.13Å; T118-R126 PolarHBondContact O-NH1 3.41Å; T118-R126 PolarHBondContact O-NH2 2.94Å; T120-R126 WeakPolarHBondContact O-CD 3.43Å; T120-R126 PolarHBondContact O-NH1 3.44Å; A123-R126 HydrophobicContact CB-CG 4.06Å; A123-R126 WeakPolarHBondContact O-CA 3.5Å; A123-R126 VanDerWaalsContact O-CB 3.3Å; A123-R126 WeakPolarHBondContact O-CB 3.33Å; A123-R126 PolarHBondContact O-N 3.34Å; A124-R126 VanDerWaalsContact C-N 3.28Å; A124-R126 PolarHBondContact O-N 3.37Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.34Å; R126-M129 WeakPolarHBondContact O-CA 3.48Å; R126-M129 WeakPolarHBondContact O-CB 3.24Å; R126-M129 PolarHBondContact O-N 2.87Å; R126-M129 VanDerWaalsContact O-N 3.11Å; R126-Y130 HydrophobicContact CB-CE1 4.11Å; R126-Y130 HydrophobicContact CB-CE2 4.14Å; R126-Y130 WeakPolarHBondContact O-CD1 3.4Å; R126-Y130 WeakPolarHBondContact O-CD2 3.33Å; R126-Y130 WeakPolarHBondContact O-CE1 3.33Å; R126-Y130 PolarHBondContact O-N 3.26Å
127I98.1Very high96.6Very high5 Ų525.8 Ų25.83%0.02614%0.14CC..Hα-helixtrans-58.9-43.5173-58-55.8000111.8H56 G57 V58 W78 A123 A124 M129 Y130 N131H56-I127 HydrophobicContact CB-CD1 4.11Å; H56-I127 HydrophobicContact CB-CG1 4.3Å; G57-I127 VanDerWaalsContact O-CG2 3.29Å; G57-I127 WeakPolarHBondContact O-CG2 3.34Å; V58-I127 HydrophobicContact CG2-CD1 3.79Å; V58-I127 HydrophobicContact CG2-CG2 4.4Å; W78-I127 HydrophobicContact CH2-CD1 4.3Å; W78-I127 HydrophobicContact CZ3-CD1 3.69Å; A123-I127 PolarHBondContact O-N 2.9Å; A124-I127 WeakPolarHBondContact O-CB 3.34Å; A124-I127 PolarHBondContact O-N 2.85Å; I127-M129 VanDerWaalsContact C-N 3.3Å; I127-M129 PolarHBondContact O-N 2.89Å; I127-Y130 HydrophobicContact CD1-CD2 4.02Å; I127-Y130 HydrophobicContact CD1-CE2 4.13Å; I127-Y130 PolarHBondContact O-N 3.26Å; I127-N131 WeakPolarHBondContact O-CB 3.31Å; I127-N131 VanDerWaalsContact O-CG 3.28Å; I127-N131 PolarHBondContact O-N 2.93Å; I127-N131 PolarHBondContact O-ND2 2.6Å; I127-N131 VanDerWaalsContact O-ND2 3.12Å
128L98Very high96.9Very high77 Ų7723.9 Ų23.940%0.40313%0.13SC..Hα-helixtrans-59.2-44174.4-66.5175.8000111A124 H125 R126 N131 M132 I313A124-L128 WeakPolarHBondContact O-CG 3.37Å; A124-L128 PolarHBondContact O-N 2.66Å; H125-L128 PolarHBondContact O-N 3.21Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.34Å; L128-N131 PolarHBondContact O-N 3Å; L128-M132 PolarHBondContact O-N 3.39Å; L128-I313 HydrophobicContact CB-CG1 3.71Å; L128-I313 HydrophobicContact CB-CG2 4.12Å; L128-I313 HydrophobicContact CD1-CG2 4.17Å
129M98.6Very high97.3Very high1 Ų123.1 Ų23.11%0.00513%0.125CC..Hα-helixtrans-61.1-48.6176.6-172.462.174.100111.7Y113 H125 R126 I127 N131 M132 L133 W183 I313 L318Y113-M129 HydrophobicContact CD2-CG 4.4Å; Y113-M129 HydrophobicContact CE2-CB 4.43Å; Y113-M129 HydrophobicContact CE2-CG 3.62Å; H125-M129 PolarHBondContact O-N 3.4Å; R126-M129 WeakPolarHBondContact O-CA 3.48Å; R126-M129 WeakPolarHBondContact O-CB 3.24Å; R126-M129 PolarHBondContact O-N 2.87Å; R126-M129 VanDerWaalsContact O-N 3.11Å; I127-M129 VanDerWaalsContact C-N 3.3Å; I127-M129 PolarHBondContact O-N 2.89Å; M129-N131 VanDerWaalsContact C-N 3.3Å; M129-N131 PolarHBondContact O-N 2.84Å; M129-M132 PolarHBondContact O-N 3.03Å; M129-M132 VanDerWaalsContact O-N 3.13Å; M129-M132 HydrophobicContact SD-CE 3.48Å; M129-M132 WeakPolarHBondContact SD-CE 3.44Å; M129-L133 HydrophobicContact CG-CD1 4.15Å; M129-L133 HydrophobicContact CG-CG 4.46Å; M129-L133 WeakPolarHBondContact O-CG 3.39Å; M129-L133 PolarHBondContact O-N 3.09Å; M129-W183 HydrophobicContact CE-CH2 4.27Å; M129-W183 HydrophobicContact CE-CZ2 3.64Å; M129-W183 HydrophobicContact SD-CH2 3.81Å; M129-W183 HydrophobicContact SD-CZ2 3.64Å; M129-I313 HydrophobicContact CB-CD1 4.43Å; M129-I313 HydrophobicContact CE-CB 4.12Å; M129-I313 HydrophobicContact CE-CD1 4.09Å; M129-I313 HydrophobicContact CE-CG1 4.48Å; M129-I313 HydrophobicContact SD-CD1 3.85Å; M129-L318 HydrophobicContact CE-CD2 4.01Å; M129-L318 HydrophobicContact SD-CD2 4.39Å
130Y98.7Very high97.7Very high0 Ų019.1 Ų19.10%011%0.11CC..Hα-helixtrans-59.2-43.8179.3-54.3-20.2000111.8W78 I80 Y113 R121 R126 I127 M132 L133 S134 V140 A142W78-Y130 HydrophobicContact CE3-CE2 4.4Å; W78-Y130 HydrophobicContact CZ3-CE2 4.45Å; I80-Y130 HydrophobicContact CD1-CD2 3.6Å; I80-Y130 HydrophobicContact CD1-CE2 4.48Å; I80-Y130 HydrophobicContact CD1-CG 3.83Å; Y113-Y130 AromaticContact CD1-CE1 3.53Å; Y113-Y130 HydrophobicContact CD1-CE1 3.53Å; Y113-Y130 HydrophobicContact CD2-CD1 4.46Å; Y113-Y130 AromaticContact CD2-CE1 4Å; Y113-Y130 HydrophobicContact CD2-CE1 4Å; Y113-Y130 AromaticContact CE1-CE1 3.84Å; Y113-Y130 HydrophobicContact CE1-CE1 3.84Å; Y113-Y130 HydrophobicContact CE2-CE1 4.31Å; Y113-Y130 HydrophobicContact CG-CD1 4.38Å; Y113-Y130 AromaticContact CG-CE1 3.6Å; Y113-Y130 HydrophobicContact CG-CE1 3.6Å; R121-Y130 VanDerWaalsContact O-CE2 3.24Å; R121-Y130 WeakPolarHBondContact O-CE2 3.47Å; R121-Y130 PolarHBondContact O-OH 2.92Å; R126-Y130 HydrophobicContact CB-CE1 4.11Å; R126-Y130 HydrophobicContact CB-CE2 4.14Å; R126-Y130 WeakPolarHBondContact O-CD1 3.4Å; R126-Y130 WeakPolarHBondContact O-CD2 3.33Å; R126-Y130 WeakPolarHBondContact O-CE1 3.33Å; R126-Y130 PolarHBondContact O-N 3.26Å; I127-Y130 HydrophobicContact CD1-CD2 4.02Å; I127-Y130 HydrophobicContact CD1-CE2 4.13Å; I127-Y130 PolarHBondContact O-N 3.26Å; Y130-M132 VanDerWaalsContact C-N 3.34Å; Y130-M132 PolarHBondContact O-N 3.31Å; Y130-L133 PolarHBondContact O-N 2.99Å; Y130-S134 PolarHBondContact O-N 3.35Å; Y130-S134 PolarHBondContact O-OG 3.15Å; Y130-V140 HydrophobicContact CD1-CG1 3.86Å; Y130-V140 HydrophobicContact CE1-CG1 4.41Å; Y130-V140 HydrophobicContact CG-CG1 4.27Å; Y130-A142 HydrophobicContact CE1-CB 4.04Å; Y130-A142 HydrophobicContact CE2-CB 3.83Å
131N98.5Very high97.8Very high9 Ų919.1 Ų19.15%0.04811%0.11CC..Hα-helixtrans-62-42.5177.3-73-35.9000111.6G57 K59 I127 L128 M129 S134 E135G57-N131 PolarHBondContact O-ND2 3.03Å; K59-N131 WeakPolarHBondContact CB-OD1 3.49Å; K59-N131 HydrophobicContact CD-CB 4.36Å; K59-N131 PolarHBondContact N-OD1 2.9Å; I127-N131 WeakPolarHBondContact O-CB 3.31Å; I127-N131 VanDerWaalsContact O-CG 3.28Å; I127-N131 PolarHBondContact O-N 2.93Å; I127-N131 PolarHBondContact O-ND2 2.6Å; I127-N131 VanDerWaalsContact O-ND2 3.12Å; L128-N131 PolarHBondContact O-N 3Å; M129-N131 VanDerWaalsContact C-N 3.3Å; M129-N131 PolarHBondContact O-N 2.84Å; N131-S134 PolarHBondContact O-N 2.97Å; N131-E135 VanDerWaalsContact O-CG 3.25Å; N131-E135 WeakPolarHBondContact O-CG 3.43Å; N131-E135 PolarHBondContact O-N 2.7Å
132M98.5Very high97.9Very high20 Ų2019.1 Ų19.110%0.09911%0.11CC..Hα-helixtrans-63.5-45.1176.2-177.6-78.4-69.700111.7L128 M129 Y130 S134 E135 L136 I313 L318 P319 V322L128-M132 PolarHBondContact O-N 3.39Å; M129-M132 PolarHBondContact O-N 3.03Å; M129-M132 VanDerWaalsContact O-N 3.13Å; M129-M132 HydrophobicContact SD-CE 3.48Å; M129-M132 WeakPolarHBondContact SD-CE 3.44Å; Y130-M132 VanDerWaalsContact C-N 3.34Å; Y130-M132 PolarHBondContact O-N 3.31Å; M132-S134 VanDerWaalsContact C-N 3.31Å; M132-S134 PolarHBondContact O-N 2.93Å; M132-E135 WeakPolarHBondContact O-CB 3.28Å; M132-E135 PolarHBondContact O-N 2.91Å; M132-E135 VanDerWaalsContact O-N 3.09Å; M132-L136 PolarHBondContact O-N 3.15Å; M132-L136 VanDerWaalsContact O-N 3.1Å; M132-L136 HydrophobicContact SD-CD1 3.55Å; M132-L136 VanDerWaalsContact SD-CD1 3.55Å; M132-L136 HydrophobicContact SD-CG 4.04Å; M132-I313 HydrophobicContact CB-CD1 3.62Å; M132-I313 HydrophobicContact CE-CD1 4.02Å; M132-I313 HydrophobicContact CG-CD1 3.94Å; M132-L318 HydrophobicContact CE-CD2 3.95Å; M132-L318 HydrophobicContact CE-CG 4.16Å; M132-P319 HydrophobicContact CG-CB 4.4Å; M132-P319 HydrophobicContact CG-CG 3.93Å; M132-P319 HydrophobicContact SD-CB 4.19Å; M132-P319 HydrophobicContact SD-CG 4.24Å; M132-V322 HydrophobicContact CE-CG2 4.26Å
133L98.8Very high98Very high0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-60.3-41.8176.6-65.3172.8000111.6V111 Y113 M129 Y130 E135 L136 N137 L138 V140 W183 V322V111-L133 HydrophobicContact CB-CD1 4.33Å; V111-L133 HydrophobicContact CG1-CD1 3.98Å; V111-L133 HydrophobicContact CG2-CD1 4.47Å; V111-L133 HydrophobicContact CG2-CD2 4.41Å; Y113-L133 HydrophobicContact CD2-CD1 4.39Å; M129-L133 HydrophobicContact CG-CD1 4.15Å; M129-L133 HydrophobicContact CG-CG 4.46Å; M129-L133 WeakPolarHBondContact O-CG 3.39Å; M129-L133 PolarHBondContact O-N 3.09Å; Y130-L133 PolarHBondContact O-N 2.99Å; L133-E135 VanDerWaalsContact C-N 3.35Å; L133-E135 PolarHBondContact O-N 2.84Å; L133-L136 CarbonylContact O-C 3.55Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.3Å; L133-N137 PolarHBondContact O-N 3.22Å; L133-L138 HydrophobicContact CB-CB 4.4Å; L133-L138 HydrophobicContact CB-CD1 4.35Å; L133-L138 HydrophobicContact CD2-CD1 3.78Å; L133-L138 VanDerWaalsContact O-CB 3.3Å; L133-L138 WeakPolarHBondContact O-CB 3.28Å; L133-L138 PolarHBondContact O-N 3.26Å; L133-V140 HydrophobicContact CB-CG2 3.6Å; L133-V140 HydrophobicContact CD1-CG2 3.95Å; L133-V140 HydrophobicContact CG-CG2 4.45Å; L133-W183 HydrophobicContact CD2-CE3 4.06Å; L133-W183 HydrophobicContact CD2-CH2 4.5Å; L133-W183 HydrophobicContact CD2-CZ3 3.73Å; L133-V322 HydrophobicContact CD2-CG1 4.1Å
134S98.5Very high98.1Very high0 Ų018.1 Ų18.10%010%0.103CC..Hα-helixtrans-65.6-33.6174.3-65.40000113.2I80 L81 K83 Y130 N131 M132 L136 N137I80-S134 WeakPolarHBondContact CG2-OG 3.27Å; L81-S134 WeakPolarHBondContact O-CB 3.11Å; L81-S134 PolarHBondContact O-OG 3.12Å; K83-S134 VanDerWaalsContact CB-O 3.25Å; K83-S134 WeakPolarHBondContact CB-O 3.3Å; K83-S134 PolarHBondContact N-O 3.38Å; Y130-S134 PolarHBondContact O-N 3.35Å; Y130-S134 PolarHBondContact O-OG 3.15Å; N131-S134 PolarHBondContact O-N 2.97Å; M132-S134 VanDerWaalsContact C-N 3.31Å; M132-S134 PolarHBondContact O-N 2.93Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 PolarHBondContact O-N 3.24Å; S134-N137 WeakPolarHBondContact O-CA 3.47Å; S134-N137 PolarHBondContact O-N 3.43Å
135E98Very high98.3Very high77 Ų7714.7 Ų14.736%0.367%0.074SC..Hα-helixtrans-62.9-35172.3-67.5-82171.900111.9Y60 K83 N131 M132 L133 N137Y60-E135 HydrophobicContact CE2-CG 4.09Å; Y60-E135 PolarHBondContact OH-OE1 2.79Å; Y60-E135 PolarHBondContact OH-OE2 3.18Å; K83-E135 VanDerWaalsContact CD-OE2 3.25Å; K83-E135 WeakPolarHBondContact CD-OE2 3.47Å; K83-E135 WeakPolarHBondContact CE-OE2 3.25Å; K83-E135 IonicContact NZ-OE2 3.51Å; K83-E135 PolarHBondContact NZ-OE2 3.29Å; N131-E135 VanDerWaalsContact O-CG 3.25Å; N131-E135 WeakPolarHBondContact O-CG 3.43Å; N131-E135 PolarHBondContact O-N 2.7Å; M132-E135 WeakPolarHBondContact O-CB 3.28Å; M132-E135 PolarHBondContact O-N 2.91Å; M132-E135 VanDerWaalsContact O-N 3.09Å; L133-E135 VanDerWaalsContact C-N 3.35Å; L133-E135 PolarHBondContact O-N 2.84Å; E135-N137 PolarHBondContact O-N 3.5Å
136L98.2Very high98.4Very high41 Ų4114.5 Ų14.522%0.2157%0.073CC..THydrogen-bonded Turntrans-75.18.5171.7-63.9-179.3000113.4M132 L133 S134 L138 P319 V322M132-L136 PolarHBondContact O-N 3.15Å; M132-L136 VanDerWaalsContact O-N 3.1Å; M132-L136 HydrophobicContact SD-CD1 3.55Å; M132-L136 VanDerWaalsContact SD-CD1 3.55Å; M132-L136 HydrophobicContact SD-CG 4.04Å; L133-L136 CarbonylContact O-C 3.55Å; L133-L136 WeakPolarHBondContact O-CB 3.45Å; L133-L136 PolarHBondContact O-N 3.3Å; S134-L136 VanDerWaalsContact C-N 3.28Å; S134-L136 PolarHBondContact O-N 3.24Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CB-CD1 4.18Å; L136-L138 HydrophobicContact CB-CG 4.13Å; L136-L138 HydrophobicContact CD1-CD1 4.5Å; L136-L138 PolarHBondContact O-N 3.42Å; L136-P319 WeakPolarHBondContact CD1-O 3.45Å; L136-P319 HydrophobicContact CD2-CB 4.19Å; L136-V322 HydrophobicContact CD1-CB 3.85Å; L136-V322 HydrophobicContact CD1-CG1 3.65Å
137N98.2Very high98.2Very high59 Ų5915.2 Ų15.232%0.3168%0.081SC..THydrogen-bonded Turntrans59.732-175.9-60.8-59.9000114.5P82 A84 Y108 L133 S134 E135P82-N137 HydrophobicContact CB-CB 4.19Å; A84-N137 WeakPolarHBondContact CB-OD1 3.4Å; A84-N137 PolarHBondContact N-OD1 3.34Å; Y108-N137 HydrophobicContact CD1-CB 4.14Å; Y108-N137 WeakPolarHBondContact CD1-O 3.48Å; Y108-N137 HydrophobicContact CE1-CB 4.3Å; L133-N137 PolarHBondContact O-N 3.22Å; S134-N137 WeakPolarHBondContact O-CA 3.47Å; S134-N137 PolarHBondContact O-N 3.43Å; E135-N137 PolarHBondContact O-N 3.5Å
138L98.5Very high98.2Very high4 Ų415 Ų152%0.0218%0.079CC..  trans-91.1140.9172.2-53.2171.7000110.1P109 V111 L133 L136 V322 V326P109-L138 HydrophobicContact CB-CD2 3.87Å; P109-L138 HydrophobicContact CG-CD2 4.09Å; P109-L138 WeakPolarHBondContact O-CA 3.46Å; V111-L138 HydrophobicContact CG2-CB 4.17Å; V111-L138 HydrophobicContact CG2-CD1 3.88Å; L133-L138 HydrophobicContact CB-CB 4.4Å; L133-L138 HydrophobicContact CB-CD1 4.35Å; L133-L138 HydrophobicContact CD2-CD1 3.78Å; L133-L138 VanDerWaalsContact O-CB 3.3Å; L133-L138 WeakPolarHBondContact O-CB 3.28Å; L133-L138 PolarHBondContact O-N 3.26Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CB-CD1 4.18Å; L136-L138 HydrophobicContact CB-CG 4.13Å; L136-L138 HydrophobicContact CD1-CD1 4.5Å; L136-L138 PolarHBondContact O-N 3.42Å; L138-V322 HydrophobicContact CD1-CG1 4.29Å; L138-V326 HydrophobicContact CD1-CG2 4.27Å; L138-V326 HydrophobicContact CD2-CG1 4.16Å; L138-V326 HydrophobicContact CD2-CG2 4.28Å
139H98.2Very high98Very high0 Ų011.5 Ų11.50%06%0.063CC..EExtended strand (participates in β ladder)trans-72.4139.5163.1-86.4-83.5000108.9L81 P82 L85 L102 L103 Y108 P109 I110 V111L81-H139 VanDerWaalsContact CD2-CE1 3.41Å; L81-H139 WeakPolarHBondContact CD2-CE1 3.4Å; P82-H139 WeakPolarHBondContact CD-CE1 3.42Å; P82-H139 VanDerWaalsContact CD-CG 3.48Å; P82-H139 VanDerWaalsContact CD-ND1 3.33Å; P82-H139 WeakPolarHBondContact CD-ND1 3.34Å; P82-H139 WeakPolarHBondContact CD-NE2 3.44Å; P82-H139 VanDerWaalsContact CG-CD2 3.44Å; P82-H139 WeakPolarHBondContact CG-CD2 3.36Å; L85-H139 WeakPolarHBondContact CD1-NE2 3.46Å; L102-H139 PolarHBondContact O-NE2 3.37Å; L103-H139 HydrophobicContact CD1-CB 4.31Å; Y108-H139 VanDerWaalsContact CB-CD2 3.44Å; Y108-H139 WeakPolarHBondContact CB-CD2 3.24Å; P109-H139 PolarHBondContact O-N 2.99Å; I110-H139 CarbonylContact C-O 3.49Å; I110-H139 WeakPolarHBondContact CA-O 3.5Å; I110-H139 HydrophobicContact CB-CB 4.22Å; I110-H139 HydrophobicContact CG1-CB 3.81Å; I110-H139 HydrophobicContact CG2-CB 4.25Å; V111-H139 PolarHBondContact N-O 3.15Å
140V98.8Very high97.9Very high0 Ų013.7 Ų13.70%07%0.074CC..EExtended strand (participates in β ladder)trans-119.5124.3175.2-174.90000109.5Q79 I80 V111 Y130 L133 A142Q79-V140 WeakPolarHBondContact CA-O 3.44Å; I80-V140 HydrophobicContact CB-CB 4.2Å; I80-V140 PolarHBondContact N-O 2.79Å; I80-V140 PolarHBondContact O-N 3.42Å; V111-V140 WeakPolarHBondContact O-CA 3.46Å; Y130-V140 HydrophobicContact CD1-CG1 3.86Å; Y130-V140 HydrophobicContact CE1-CG1 4.41Å; Y130-V140 HydrophobicContact CG-CG1 4.27Å; L133-V140 HydrophobicContact CB-CG2 3.6Å; L133-V140 HydrophobicContact CD1-CG2 3.95Å; L133-V140 HydrophobicContact CG-CG2 4.45Å; V140-A142 HydrophobicContact CG1-CB 4.43Å
141I98.8Very high97.8Very high0 Ų014.2 Ų14.20%08%0.078CC..EExtended strand (participates in β ladder)trans-106.3107.1166.9-54.6-59.4000107.5W78 Q79 L103 I110 V111 Y113 V167 W170 I171W78-I141 WeakPolarHBondContact O-CA 3.4Å; Q79-I141 HydrophobicContact CB-CD1 3.72Å; Q79-I141 HydrophobicContact CG-CD1 3.69Å; L103-I141 HydrophobicContact CD1-CD1 4.22Å; I110-I141 HydrophobicContact CG2-CG1 3.87Å; V111-I141 PolarHBondContact O-N 2.85Å; Y113-I141 PolarHBondContact N-O 3.06Å; I141-V167 HydrophobicContact CG2-CG1 4.04Å; I141-W170 HydrophobicContact CD1-CH2 4.45Å; I141-W170 HydrophobicContact CD1-CZ3 3.94Å; I141-W170 HydrophobicContact CG1-CZ3 4.42Å; I141-I171 HydrophobicContact CB-CD1 3.83Å; I141-I171 HydrophobicContact CB-CG1 4.43Å; I141-I171 HydrophobicContact CG1-CD1 3.81Å; I141-I171 HydrophobicContact CG1-CG1 4.02Å; I141-I171 HydrophobicContact CG2-CD1 3.93Å; I141-I171 HydrophobicContact CG2-CG1 4.3Å
142A98.8Very high97.8Very high0 Ų016.4 Ų16.40%09%0.092CC..EExtended strand (participates in β ladder)trans-112.6140.4178.100000109.4C77 W78 Y130 V140C77-A142 CarbonylContact C-O 3.57Å; C77-A142 WeakPolarHBondContact CA-O 3.41Å; W78-A142 PolarHBondContact N-O 3.1Å; W78-A142 PolarHBondContact O-N 2.77Å; Y130-A142 HydrophobicContact CE1-CB 4.04Å; Y130-A142 HydrophobicContact CE2-CB 3.83Å; V140-A142 HydrophobicContact CG1-CB 4.43Å
143F98.7Very high97.7Very high0 Ų017.7 Ų17.70%011%0.11CC..EExtended strand (participates in β ladder)trans-151.7157.2-176.358.7-80.1000110.1G76 C77 M112 M114 H115 Y145 V164 V167G76-F143 WeakPolarHBondContact O-CA 3.49Å; C77-F143 HydrophobicContact CB-CB 4.13Å; C77-F143 VanDerWaalsContact SG-CB 3.59Å; M112-F143 HydrophobicContact CE-CE1 3.55Å; M112-F143 HydrophobicContact CE-CZ 3.43Å; M112-F143 VanDerWaalsContact CE-CZ 3.43Å; M112-F143 HydrophobicContact CG-CE1 3.88Å; M114-F143 HydrophobicContact CG-CE1 4.2Å; M114-F143 HydrophobicContact CG-CZ 3.77Å; H115-F143 PolarHBondContact CD2-O 3.41Å; F143-Y145 HydrophobicContact CD2-CD1 4.29Å; F143-Y145 HydrophobicContact CD2-CE1 4.44Å; F143-Y145 AromaticContact CE2-CD1 3.72Å; F143-Y145 HydrophobicContact CE2-CD1 3.72Å; F143-Y145 AromaticContact CE2-CE1 3.61Å; F143-Y145 HydrophobicContact CE2-CE1 3.61Å; F143-Y145 HydrophobicContact CZ-CE1 4.09Å; F143-V164 HydrophobicContact CE2-CG1 3.89Å; F143-V164 HydrophobicContact CZ-CG1 3.81Å; F143-V167 HydrophobicContact CD1-CG1 3.89Å; F143-V167 HydrophobicContact CD1-CG2 4.19Å; F143-V167 HydrophobicContact CD2-CG2 3.89Å; F143-V167 HydrophobicContact CE1-CB 4.37Å; F143-V167 HydrophobicContact CE1-CG1 3.86Å; F143-V167 HydrophobicContact CE1-CG2 4.34Å; F143-V167 HydrophobicContact CE2-CG2 4.01Å; F143-V167 HydrophobicContact CG-CG1 4.47Å; F143-V167 HydrophobicContact CG-CG2 3.98Å; F143-V167 HydrophobicContact CZ-CB 4.42Å; F143-V167 HydrophobicContact CZ-CG1 4.39Å; F143-V167 HydrophobicContact CZ-CG2 4.25Å
144D98.4Very high97.4Very high0 Ų025 Ų250%015%0.146CC..PPolyproline II helixtrans-97.7132.2172-77.5-46.2000109.8G76 H115 T120 R121 F148 G149 S151G76-D144 PolarHBondContact O-N 2.9Å; G76-D144 VanDerWaalsContact O-N 3.07Å; H115-D144 IonicContact CD2-OD1 2.65Å; H115-D144 IonicContact NE2-OD1 3.49Å; H115-D144 PolarHBondContact NE2-OD1 2.98Å; T120-D144 VanDerWaalsContact C-OD1 3.28Å; T120-D144 WeakPolarHBondContact CA-OD1 3.37Å; T120-D144 WeakPolarHBondContact CB-OD1 3.09Å; T120-D144 WeakPolarHBondContact CB-OD2 3.3Å; R121-D144 WeakPolarHBondContact CG-OD2 3.22Å; R121-D144 IonicContact CZ-OD2 3.47Å; R121-D144 PolarHBondContact N-OD1 3.23Å; R121-D144 PolarHBondContact N-OD2 2.96Å; R121-D144 IonicContact NE-OD2 2.93Å; R121-D144 IonicContact NH1-OD2 2.79Å; R121-D144 PolarHBondContact NH1-OD2 2.96Å; D144-F148 HydrophobicContact CB-CB 3.8Å; D144-G149 WeakPolarHBondContact OD2-CA 3.45Å; D144-S151 WeakPolarHBondContact CB-OG 3.46Å; D144-S151 WeakPolarHBondContact O-CB 3.27Å; D144-S151 PolarHBondContact O-OG 2.97Å
145Y98.1Very high97.2Very high0 Ų025.2 Ų25.20%015%0.148CC..PPolyproline II helixtrans-62.7163.4173.1-44.9-61.5000111.7M114 H115 F143 G147 F148 S151 I160 V164 I191M114-Y145 VanDerWaalsContact C-OH 3.23Å; M114-Y145 VanDerWaalsContact CA-OH 3.25Å; M114-Y145 WeakPolarHBondContact CA-OH 3.47Å; M114-Y145 WeakPolarHBondContact CB-OH 3.45Å; M114-Y145 HydrophobicContact CG-CE1 4.49Å; H115-Y145 AromaticContact CE1-CD2 3.52Å; H115-Y145 AromaticContact CE1-CE2 3.53Å; H115-Y145 PolarHBondContact N-OH 3.37Å; H115-Y145 VanDerWaalsContact N-OH 3.13Å; H115-Y145 AromaticContact ND1-CE2 3.77Å; H115-Y145 AromaticContact NE2-CD2 3.69Å; H115-Y145 AromaticContact NE2-CE2 3.75Å; H115-Y145 WeakPolarHBondContact O-CE2 3.47Å; H115-Y145 PolarHBondContact O-OH 2.88Å; H115-Y145 VanDerWaalsContact O-OH 3.11Å; F143-Y145 HydrophobicContact CD2-CD1 4.29Å; F143-Y145 HydrophobicContact CD2-CE1 4.44Å; F143-Y145 AromaticContact CE2-CD1 3.72Å; F143-Y145 HydrophobicContact CE2-CD1 3.72Å; F143-Y145 AromaticContact CE2-CE1 3.61Å; F143-Y145 HydrophobicContact CE2-CE1 3.61Å; F143-Y145 HydrophobicContact CZ-CE1 4.09Å; Y145-G147 PolarHBondContact O-N 3.12Å; Y145-F148 HydrophobicContact CD2-CD2 4.15Å; Y145-F148 HydrophobicContact CD2-CE2 4.1Å; Y145-F148 WeakPolarHBondContact O-CB 3.2Å; Y145-F148 PolarHBondContact O-N 3.43Å; Y145-S151 VanDerWaalsContact O-CB 3.3Å; Y145-S151 WeakPolarHBondContact O-CB 3.5Å; Y145-I160 HydrophobicContact CD1-CG2 3.72Å; Y145-I160 HydrophobicContact CD2-CD1 4.28Å; Y145-I160 HydrophobicContact CE1-CG2 4.02Å; Y145-I160 HydrophobicContact CG-CD1 4.23Å; Y145-I160 HydrophobicContact CG-CG1 4.22Å; Y145-I160 HydrophobicContact CG-CG2 4.02Å; Y145-V164 HydrophobicContact CD1-CG1 4.32Å; Y145-V164 HydrophobicContact CE1-CG1 3.89Å; Y145-I191 HydrophobicContact CE1-CD1 4.19Å; Y145-I191 HydrophobicContact CE1-CG2 4.38Å; Y145-I191 HydrophobicContact CE2-CD1 3.83Å
146R97.3Very high97Very high10 Ų1023.4 Ų23.44%0.03814%0.144CC..THydrogen-bonded Turntrans-48.9131.9173.867.6-178.263.8-162.5-2.1111.7E70 I73 L75 F148 T152 M154 A155 G159 D163E70-R146 IonicContact OE1-CZ 3.93Å; E70-R146 IonicContact OE1-NH1 3.44Å; E70-R146 PolarHBondContact OE1-NH1 3.42Å; E70-R146 IonicContact OE1-NH2 2.81Å; E70-R146 PolarHBondContact OE1-NH2 2.8Å; I73-R146 HydrophobicContact CG2-CB 4.15Å; L75-R146 HydrophobicContact CD2-CB 4.4Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 PolarHBondContact O-N 3.25Å; R146-T152 CarbonylContact C-O 3.54Å; R146-T152 WeakPolarHBondContact CA-O 3.43Å; R146-T152 VanDerWaalsContact CB-O 3.24Å; R146-T152 WeakPolarHBondContact CB-O 3.19Å; R146-M154 VanDerWaalsContact CD-O 3.23Å; R146-M154 WeakPolarHBondContact CD-O 3.45Å; R146-M154 WeakPolarHBondContact CG-O 3.26Å; R146-A155 WeakPolarHBondContact O-CB 3.33Å; R146-A155 PolarHBondContact O-N 2.85Å; R146-G159 VanDerWaalsContact CZ-C 3.46Å; R146-G159 PolarHBondContact NE-O 3.12Å; R146-G159 PolarHBondContact NH2-O 3.45Å; R146-D163 VanDerWaalsContact CB-OD2 3.29Å; R146-D163 WeakPolarHBondContact CB-OD2 3.28Å; R146-D163 WeakPolarHBondContact CG-OD2 3.36Å; R146-D163 IonicContact CZ-OD1 3.54Å; R146-D163 PolarHBondContact N-OD2 2.8Å; R146-D163 IonicContact NE-OD1 3.26Å; R146-D163 PolarHBondContact NE-OD1 3.27Å; R146-D163 IonicContact NE-OD2 3.66Å; R146-D163 PolarHBondContact NE-OD2 3.47Å; R146-D163 VanDerWaalsContact NE-OD2 3.16Å; R146-D163 IonicContact NH2-OD1 2.88Å; R146-D163 PolarHBondContact NH2-OD1 3.08Å
147G95.3Very high96.8Very high16 Ų1622 Ų2217%0.16514%0.136CC..THydrogen-bonded Turntrans82.3-10.5-175.600000116.1T41 Y145 T152 G153T41-G147 VanDerWaalsContact CB-O 3.29Å; T41-G147 WeakPolarHBondContact CB-O 3.34Å; Y145-G147 PolarHBondContact O-N 3.12Å; G147-T152 PolarHBondContact N-O 3.37Å; G147-G153 VanDerWaalsContact CA-O 3.24Å; G147-G153 WeakPolarHBondContact CA-O 3.32Å
148F96.1Very high96.7Very high0 Ų023.4 Ų23.40%014%0.141CC..SBendtrans-93.8155.6172.4-69.8-98.5000111.4F39 T41 H115 W119 D144 Y145 R146 D150 S151 A155F39-F148 HydrophobicContact CB-CE2 4.14Å; F39-F148 HydrophobicContact CB-CZ 3.83Å; F39-F148 HydrophobicContact CD1-CE2 4.26Å; F39-F148 HydrophobicContact CD1-CZ 4.28Å; F39-F148 HydrophobicContact CG-CZ 4.5Å; F39-F148 WeakPolarHBondContact O-CE1 3.34Å; F39-F148 VanDerWaalsContact O-CZ 3.31Å; F39-F148 WeakPolarHBondContact O-CZ 3.42Å; T41-F148 HydrophobicContact CG2-CD1 4.28Å; T41-F148 HydrophobicContact CG2-CD2 3.74Å; T41-F148 HydrophobicContact CG2-CE1 4.12Å; T41-F148 HydrophobicContact CG2-CE2 3.56Å; T41-F148 HydrophobicContact CG2-CG 4.12Å; T41-F148 HydrophobicContact CG2-CZ 3.78Å; H115-F148 AromaticContact CE1-CD1 3.8Å; W119-F148 VanDerWaalsContact O-CD1 3.32Å; W119-F148 WeakPolarHBondContact O-CD1 3.49Å; D144-F148 HydrophobicContact CB-CB 3.8Å; Y145-F148 HydrophobicContact CD2-CD2 4.15Å; Y145-F148 HydrophobicContact CD2-CE2 4.1Å; Y145-F148 WeakPolarHBondContact O-CB 3.2Å; Y145-F148 PolarHBondContact O-N 3.43Å; R146-F148 VanDerWaalsContact C-N 3.31Å; R146-F148 PolarHBondContact O-N 3.25Å; F148-D150 PolarHBondContact O-N 3.13Å; F148-S151 WeakPolarHBondContact O-CA 3.37Å; F148-S151 VanDerWaalsContact O-CB 3.25Å; F148-S151 WeakPolarHBondContact O-CB 3.25Å; F148-S151 PolarHBondContact O-N 3.27Å; F148-A155 HydrophobicContact CE2-CB 4.05Å
149G95.4Very high96.6Very high5 Ų523.2 Ų23.25%0.05214%0.14CC..THydrogen-bonded Turntrans58.6-126.5173.200000113.9K44 T120 D144K44-G149 PolarHBondContact NZ-O 3.22Å; T120-G149 VanDerWaalsContact CG2-CA 3.48Å; D144-G149 WeakPolarHBondContact OD2-CA 3.45Å
150D95.6Very high96.5Very high47 Ų4723.3 Ų23.325%0.25114%0.14SC..THydrogen-bonded Turntrans-103.710.1169.465.6-20.1000112.8Y50 Y66 R121 F148Y50-D150 HydrophobicContact CD2-CB 3.8Å; Y50-D150 HydrophobicContact CE2-CB 4.39Å; Y50-D150 HydrophobicContact CG-CB 4.39Å; Y66-D150 VanDerWaalsContact CE1-OD2 3.3Å; Y66-D150 WeakPolarHBondContact CE1-OD2 3.42Å; Y66-D150 PolarHBondContact OH-OD2 2.56Å; R121-D150 IonicContact CZ-OD1 2.67Å; R121-D150 IonicContact NH1-OD1 3.55Å; R121-D150 PolarHBondContact NH1-OD1 3.46Å; R121-D150 IonicContact NH2-OD1 3.55Å; R121-D150 PolarHBondContact NH2-OD1 3.08Å; R121-D150 IonicContact NH2-OD2 3.7Å; R121-D150 PolarHBondContact NH2-OD2 2.73Å; F148-D150 PolarHBondContact O-N 3.13Å
151S97.7Very high96.5Very high10 Ų1023.7 Ų23.77%0.0714%0.142CC..  trans-73.6141.3170.6-58.80000110.7V74 L75 G76 D144 Y145 F148V74-S151 CarbonylContact O-C 3.59Å; V74-S151 VanDerWaalsContact O-CA 3.24Å; V74-S151 WeakPolarHBondContact O-CA 3.19Å; L75-S151 WeakPolarHBondContact CA-OG 3.38Å; G76-S151 PolarHBondContact N-OG 3.42Å; D144-S151 WeakPolarHBondContact CB-OG 3.46Å; D144-S151 WeakPolarHBondContact O-CB 3.27Å; D144-S151 PolarHBondContact O-OG 2.97Å; Y145-S151 VanDerWaalsContact O-CB 3.3Å; Y145-S151 WeakPolarHBondContact O-CB 3.5Å; F148-S151 WeakPolarHBondContact O-CA 3.37Å; F148-S151 VanDerWaalsContact O-CB 3.25Å; F148-S151 WeakPolarHBondContact O-CB 3.25Å; F148-S151 PolarHBondContact O-N 3.27Å
152T97.3Very high96.4Very high55 Ų5528.4 Ų28.434%0.33716%0.16SC..  trans-84.1171.7-177.667.10000112.1G72 I73 V74 R146 G147G72-T152 PolarHBondContact O-OG1 2.97Å; I73-T152 VanDerWaalsContact CA-OG1 3.28Å; I73-T152 WeakPolarHBondContact CA-OG1 3.43Å; V74-T152 HydrophobicContact CB-CG2 4.36Å; V74-T152 PolarHBondContact N-OG1 2.67Å; V74-T152 PolarHBondContact O-N 2.87Å; R146-T152 CarbonylContact C-O 3.54Å; R146-T152 WeakPolarHBondContact CA-O 3.43Å; R146-T152 VanDerWaalsContact CB-O 3.24Å; R146-T152 WeakPolarHBondContact CB-O 3.19Å; G147-T152 PolarHBondContact N-O 3.37Å
153G95.7Very high96.4Very high47 Ų4728.4 Ų28.449%0.48516%0.16SC..SBendtrans85.8-165.6174.300000115G147G147-G153 VanDerWaalsContact CA-O 3.24Å; G147-G153 WeakPolarHBondContact CA-O 3.32Å
154M93.4Very high96.4Very high155 Ų15528.4 Ų28.476%0.76416%0.16SC*.  trans-127.1133.3-179.2-175.4171.167.900109.5R146R146-M154 VanDerWaalsContact CD-O 3.23Å; R146-M154 WeakPolarHBondContact CD-O 3.45Å; R146-M154 WeakPolarHBondContact CG-O 3.26Å
155A94Very high96.4Very high4 Ų432.3 Ų32.33%0.03318%0.178CC..  trans-64.8134.3-179.900000111.7F39 T41 R146 F148 I160F39-A155 HydrophobicContact CB-CB 4.02Å; F39-A155 HydrophobicContact CD1-CB 3.95Å; F39-A155 HydrophobicContact CD2-CB 3.52Å; F39-A155 HydrophobicContact CE1-CB 4.31Å; F39-A155 HydrophobicContact CE2-CB 3.9Å; F39-A155 HydrophobicContact CG-CB 3.55Å; F39-A155 HydrophobicContact CZ-CB 4.28Å; T41-A155 HydrophobicContact CG2-CB 4.06Å; R146-A155 WeakPolarHBondContact O-CB 3.33Å; R146-A155 PolarHBondContact O-N 2.85Å; F148-A155 HydrophobicContact CE2-CB 4.05Å; A155-I160 HydrophobicContact CB-CD1 4.25Å
156S93.6Very high96.4Very high39 Ų3934.1 Ų34.127%0.27319%0.189SC..  trans-150.4157.8167.966.60000107.9E158 G159 I160S156-E158 VanDerWaalsContact C-N 3.34Å; S156-E158 PolarHBondContact O-N 3.4Å; S156-G159 PolarHBondContact O-N 3.41Å; S156-G159 PolarHBondContact OG-N 2.79Å; S156-G159 VanDerWaalsContact OG-N 3.08Å; S156-I160 WeakPolarHBondContact O-CB 3.24Å; S156-I160 VanDerWaalsContact O-CG1 3.24Å; S156-I160 WeakPolarHBondContact O-CG1 3.21Å; S156-I160 PolarHBondContact O-N 2.9Å
157E94.6Very high96.5Very high10 Ų1033.6 Ų33.65%0.04719%0.187CC..Hα-helixtrans-58.1-46.5-178.7-169.7175.5157.900111.6I160 N161 R194 D250 L251 N252 F253 R258E157-I160 PolarHBondContact O-N 2.93Å; E157-N161 PolarHBondContact O-N 2.85Å; E157-R194 IonicContact OE1-NH1 3.77Å; E157-D250 WeakPolarHBondContact CB-O 3.25Å; E157-L251 HydrophobicContact CB-CD2 4.46Å; E157-N252 PolarHBondContact OE2-N 3.21Å; E157-F253 HydrophobicContact CB-CE1 4.5Å; E157-F253 HydrophobicContact CB-CZ 4.16Å; E157-F253 HydrophobicContact CG-CD1 4.3Å; E157-F253 HydrophobicContact CG-CE1 3.93Å; E157-F253 HydrophobicContact CG-CZ 4.06Å; E157-F253 PolarHBondContact OE1-N 2.8Å; E157-F253 PolarHBondContact OE2-N 2.9Å; E157-R258 IonicContact OE1-CZ 3.51Å; E157-R258 VanDerWaalsContact OE1-CZ 3.27Å; E157-R258 IonicContact OE1-NH1 2.6Å; E157-R258 PolarHBondContact OE1-NH1 2.98Å; E157-R258 IonicContact OE1-NH2 3.76Å; E157-R258 PolarHBondContact OE1-NH2 3.48Å
158E95.2Very high96.6Very high90 Ų9033 Ų3342%0.42118%0.18SC..Hα-helixtrans-66.6-38.4177.2-69.9-53119.800113.6S156 N161 R162 R194S156-E158 VanDerWaalsContact C-N 3.34Å; S156-E158 PolarHBondContact O-N 3.4Å; E158-N161 WeakPolarHBondContact O-CB 3.36Å; E158-N161 PolarHBondContact O-N 3.05Å; E158-R162 PolarHBondContact O-N 3.15Å; E158-R162 VanDerWaalsContact O-N 3.09Å; E158-R194 VanDerWaalsContact CD-NH2 3.31Å; E158-R194 IonicContact OE1-CZ 2.66Å; E158-R194 IonicContact OE1-NH1 3.88Å; E158-R194 PolarHBondContact OE1-NH1 2.89Å; E158-R194 IonicContact OE1-NH2 3.82Å; E158-R194 PolarHBondContact OE1-NH2 3.07Å; E158-R194 IonicContact OE2-CZ 3.78Å; E158-R194 IonicContact OE2-NH2 2.67Å; E158-R194 PolarHBondContact OE2-NH2 2.7Å
159G96.5Very high96.7Very high0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-64.6-46177.400000111.3R146 S156 N161 R162 D163R146-G159 VanDerWaalsContact CZ-C 3.46Å; R146-G159 PolarHBondContact NE-O 3.12Å; R146-G159 PolarHBondContact NH2-O 3.45Å; S156-G159 PolarHBondContact O-N 3.41Å; S156-G159 PolarHBondContact OG-N 2.79Å; S156-G159 VanDerWaalsContact OG-N 3.08Å; G159-N161 VanDerWaalsContact C-N 3.26Å; G159-N161 PolarHBondContact O-N 3.3Å; G159-R162 PolarHBondContact O-N 2.99Å; G159-D163 PolarHBondContact O-N 2.75Å; G159-D163 VanDerWaalsContact O-OD1 3.14Å
160I97.6Very high96.7Very high1 Ų139.7 Ų39.71%0.00521%0.207CC..Hα-helixtrans-62-36.6175-67180000111F39 Y145 A155 S156 E157 R162 D163 V164 I191F39-I160 HydrophobicContact CD1-CD1 3.89Å; F39-I160 HydrophobicContact CE1-CD1 3.31Å; F39-I160 HydrophobicContact CZ-CD1 3.91Å; Y145-I160 HydrophobicContact CD1-CG2 3.72Å; Y145-I160 HydrophobicContact CD2-CD1 4.28Å; Y145-I160 HydrophobicContact CE1-CG2 4.02Å; Y145-I160 HydrophobicContact CG-CD1 4.23Å; Y145-I160 HydrophobicContact CG-CG1 4.22Å; Y145-I160 HydrophobicContact CG-CG2 4.02Å; A155-I160 HydrophobicContact CB-CD1 4.25Å; S156-I160 WeakPolarHBondContact O-CB 3.24Å; S156-I160 VanDerWaalsContact O-CG1 3.24Å; S156-I160 WeakPolarHBondContact O-CG1 3.21Å; S156-I160 PolarHBondContact O-N 2.9Å; E157-I160 PolarHBondContact O-N 2.93Å; I160-R162 PolarHBondContact O-N 3.03Å; I160-D163 WeakPolarHBondContact O-CB 3.3Å; I160-D163 PolarHBondContact O-N 3.27Å; I160-V164 HydrophobicContact CG2-CG1 4.49Å; I160-V164 PolarHBondContact O-N 2.73Å; I160-I191 HydrophobicContact CG2-CD1 3.61Å; I160-I191 HydrophobicContact CG2-CG1 3.86Å; I160-I191 HydrophobicContact CG2-CG2 3.91Å
161N97.8Very high96.8Very high8 Ų837.5 Ų37.54%0.04320%0.195CC..Hα-helixtrans-60.4-45.2175.2-164.858.6000112E157 E158 G159 D163 V164 Q165 R194 E198E157-N161 PolarHBondContact O-N 2.85Å; E158-N161 WeakPolarHBondContact O-CB 3.36Å; E158-N161 PolarHBondContact O-N 3.05Å; G159-N161 VanDerWaalsContact C-N 3.26Å; G159-N161 PolarHBondContact O-N 3.3Å; N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 PolarHBondContact O-N 2.97Å; N161-V164 VanDerWaalsContact O-CG2 3.26Å; N161-V164 WeakPolarHBondContact O-CG2 3.28Å; N161-V164 PolarHBondContact O-N 2.99Å; N161-Q165 PolarHBondContact ND2-NE2 2.92Å; N161-Q165 WeakPolarHBondContact O-CG 3.48Å; N161-Q165 PolarHBondContact O-N 3.11Å; N161-R194 VanDerWaalsContact CG-CZ 3.48Å; N161-R194 PolarHBondContact ND2-NE 3.46Å; N161-R194 PolarHBondContact ND2-NH2 2.99Å; N161-R194 WeakPolarHBondContact OD1-CD 3.31Å; N161-R194 WeakPolarHBondContact OD1-CG 3.36Å; N161-R194 PolarHBondContact OD1-NE 3.16Å; N161-R194 VanDerWaalsContact OD1-NE 3.11Å; N161-E198 PolarHBondContact ND2-OE1 3.02Å; N161-E198 PolarHBondContact ND2-OE2 2.76Å; N161-E198 PolarHBondContact OD1-OE2 3.27Å
162R98.1Very high96.8Very high100 Ų10038.2 Ų38.238%0.37720%0.2SC..Hα-helixtrans-61.5-40.1174.1-67.9-162.3-69.8-87.85.5111.9V69 E70 E158 G159 I160 V164 Q165 T166V69-R162 HydrophobicContact CG1-CB 4.04Å; E70-R162 IonicContact OE1-CZ 3.01Å; E70-R162 IonicContact OE1-NE 3.2Å; E70-R162 IonicContact OE1-NH2 2.83Å; E70-R162 PolarHBondContact OE1-NH2 2.88Å; E70-R162 VanDerWaalsContact OE1-NH2 3.09Å; E70-R162 IonicContact OE2-CZ 3.95Å; E70-R162 IonicContact OE2-NE 3.66Å; E70-R162 PolarHBondContact OE2-NE 2.87Å; E70-R162 IonicContact OE2-NH2 3.2Å; E70-R162 PolarHBondContact OE2-NH2 2.85Å; E158-R162 PolarHBondContact O-N 3.15Å; E158-R162 VanDerWaalsContact O-N 3.09Å; G159-R162 PolarHBondContact O-N 2.99Å; I160-R162 PolarHBondContact O-N 3.03Å; R162-V164 PolarHBondContact O-N 3.05Å; R162-Q165 PolarHBondContact O-N 2.85Å; R162-T166 PolarHBondContact O-N 3.15Å; R162-T166 PolarHBondContact O-OG1 2.85Å
163D98.7Very high96.7Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-57.5-50.6177.4-62.7-13.6000111.5L75 R146 G159 I160 N161 T166 V167L75-D163 HydrophobicContact CD1-CB 3.61Å; L75-D163 HydrophobicContact CD2-CB 4.16Å; L75-D163 HydrophobicContact CG-CB 4.49Å; R146-D163 VanDerWaalsContact CB-OD2 3.29Å; R146-D163 WeakPolarHBondContact CB-OD2 3.28Å; R146-D163 WeakPolarHBondContact CG-OD2 3.36Å; R146-D163 IonicContact CZ-OD1 3.54Å; R146-D163 PolarHBondContact N-OD2 2.8Å; R146-D163 IonicContact NE-OD1 3.26Å; R146-D163 PolarHBondContact NE-OD1 3.27Å; R146-D163 IonicContact NE-OD2 3.66Å; R146-D163 PolarHBondContact NE-OD2 3.47Å; R146-D163 VanDerWaalsContact NE-OD2 3.16Å; R146-D163 IonicContact NH2-OD1 2.88Å; R146-D163 PolarHBondContact NH2-OD1 3.08Å; G159-D163 PolarHBondContact O-N 2.75Å; G159-D163 VanDerWaalsContact O-OD1 3.14Å; I160-D163 WeakPolarHBondContact O-CB 3.3Å; I160-D163 PolarHBondContact O-N 3.27Å; N161-D163 VanDerWaalsContact C-N 3.3Å; N161-D163 PolarHBondContact O-N 2.97Å; D163-T166 PolarHBondContact O-N 3.5Å; D163-V167 WeakPolarHBondContact O-CG2 3.36Å; D163-V167 PolarHBondContact O-N 2.86Å
164V98.5Very high96.7Very high0 Ų042.5 Ų42.50%020%0.201CC..Hα-helixtrans-70.6-34.3-178.2-58.80000112.6M112 M114 F143 Y145 I160 N161 R162 V167 Y168 I191 L195M112-V164 HydrophobicContact CE-CB 3.87Å; M112-V164 HydrophobicContact CE-CG1 4.3Å; M112-V164 WeakPolarHBondContact CE-O 3.37Å; M114-V164 HydrophobicContact CG-CG1 4.33Å; M114-V164 HydrophobicContact SD-CG1 4.21Å; F143-V164 HydrophobicContact CE2-CG1 3.89Å; F143-V164 HydrophobicContact CZ-CG1 3.81Å; Y145-V164 HydrophobicContact CD1-CG1 4.32Å; Y145-V164 HydrophobicContact CE1-CG1 3.89Å; I160-V164 HydrophobicContact CG2-CG1 4.49Å; I160-V164 PolarHBondContact O-N 2.73Å; N161-V164 VanDerWaalsContact O-CG2 3.26Å; N161-V164 WeakPolarHBondContact O-CG2 3.28Å; N161-V164 PolarHBondContact O-N 2.99Å; R162-V164 PolarHBondContact O-N 3.05Å; V164-V167 PolarHBondContact O-N 3.17Å; V164-Y168 VanDerWaalsContact O-CB 3.26Å; V164-Y168 WeakPolarHBondContact O-CB 3.32Å; V164-Y168 PolarHBondContact O-N 3.03Å; V164-I191 HydrophobicContact CB-CG2 4.26Å; V164-I191 HydrophobicContact CG1-CG2 3.41Å; V164-I191 VanDerWaalsContact CG1-CG2 3.41Å; V164-I191 HydrophobicContact CG2-CG2 3.97Å; V164-L195 HydrophobicContact CB-CD2 4.27Å; V164-L195 HydrophobicContact CG2-CB 4.11Å; V164-L195 HydrophobicContact CG2-CD1 4.39Å; V164-L195 HydrophobicContact CG2-CD2 4.37Å
165Q98Very high96.8Very high81 Ų8135.1 Ų35.138%0.37916%0.164SC..Hα-helixtrans-61.6-42.9171.7-73.3-179.2-1000111.7N161 R162 Y168 K169 L195 E198N161-Q165 PolarHBondContact ND2-NE2 2.92Å; N161-Q165 WeakPolarHBondContact O-CG 3.48Å; N161-Q165 PolarHBondContact O-N 3.11Å; R162-Q165 PolarHBondContact O-N 2.85Å; Q165-Y168 PolarHBondContact O-N 2.83Å; Q165-K169 WeakPolarHBondContact O-CB 3.24Å; Q165-K169 PolarHBondContact O-N 2.8Å; Q165-L195 HydrophobicContact CG-CD1 4.2Å; Q165-E198 PolarHBondContact NE2-OE2 3.06Å
166T98.2Very high96.8Very high38 Ų3836.7 Ų36.723%0.23318%0.181CC..Hα-helixtrans-61.8-46.2176.4-65.20000111.7V69 R162 D163 W170V69-T166 HydrophobicContact CG2-CG2 4.09Å; R162-T166 PolarHBondContact O-N 3.15Å; R162-T166 PolarHBondContact O-OG1 2.85Å; D163-T166 PolarHBondContact O-N 3.5Å; T166-W170 WeakPolarHBondContact O-CB 3.19Å; T166-W170 PolarHBondContact O-N 2.68Å
167V98.6Very high96.7Very high0 Ų040.5 Ų40.50%020%0.198CC..Hα-helixtrans-63.3-46.4177.3176.70000110.5L67 L75 M112 I141 F143 D163 V164 K169 W170 I171L67-V167 HydrophobicContact CD1-CB 4.48Å; L67-V167 HydrophobicContact CD1-CG2 3.95Å; L75-V167 HydrophobicContact CD1-CG2 3.94Å; M112-V167 HydrophobicContact CE-CB 3.67Å; M112-V167 HydrophobicContact CE-CG1 3.64Å; M112-V167 HydrophobicContact CG-CG1 4.33Å; M112-V167 HydrophobicContact SD-CG1 4.03Å; I141-V167 HydrophobicContact CG2-CG1 4.04Å; F143-V167 HydrophobicContact CD1-CG1 3.89Å; F143-V167 HydrophobicContact CD1-CG2 4.19Å; F143-V167 HydrophobicContact CD2-CG2 3.89Å; F143-V167 HydrophobicContact CE1-CB 4.37Å; F143-V167 HydrophobicContact CE1-CG1 3.86Å; F143-V167 HydrophobicContact CE1-CG2 4.34Å; F143-V167 HydrophobicContact CE2-CG2 4.01Å; F143-V167 HydrophobicContact CG-CG1 4.47Å; F143-V167 HydrophobicContact CG-CG2 3.98Å; F143-V167 HydrophobicContact CZ-CB 4.42Å; F143-V167 HydrophobicContact CZ-CG1 4.39Å; F143-V167 HydrophobicContact CZ-CG2 4.25Å; D163-V167 WeakPolarHBondContact O-CG2 3.36Å; D163-V167 PolarHBondContact O-N 2.86Å; V164-V167 PolarHBondContact O-N 3.17Å; V167-K169 PolarHBondContact O-N 3.36Å; V167-W170 WeakPolarHBondContact O-CB 3.45Å; V167-W170 PolarHBondContact O-N 2.73Å; V167-W170 VanDerWaalsContact O-N 3.13Å; V167-I171 HydrophobicContact CG1-CD1 4Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 3.41Å
168Y98.4Very high96.8Very high4 Ų440 Ų402%0.01620%0.196CC..Hα-helixtrans-60.4-43.6-179.8-172.5-101.8000112.5M112 V164 Q165 I171 S172 I180 L182 L195 V199 V204 R205 P207M112-Y168 HydrophobicContact SD-CD2 4.01Å; V164-Y168 VanDerWaalsContact O-CB 3.26Å; V164-Y168 WeakPolarHBondContact O-CB 3.32Å; V164-Y168 PolarHBondContact O-N 3.03Å; Q165-Y168 PolarHBondContact O-N 2.83Å; Y168-I171 PolarHBondContact O-N 2.85Å; Y168-S172 WeakPolarHBondContact O-CB 3.47Å; Y168-S172 PolarHBondContact O-N 2.77Å; Y168-S172 PolarHBondContact O-OG 2.89Å; Y168-I180 HydrophobicContact CD2-CG2 4.36Å; Y168-I180 HydrophobicContact CE2-CB 4.39Å; Y168-I180 HydrophobicContact CE2-CD1 4.25Å; Y168-I180 HydrophobicContact CE2-CG2 3.8Å; Y168-L182 HydrophobicContact CD2-CD2 4.03Å; Y168-L182 HydrophobicContact CE2-CD2 4.05Å; Y168-L195 HydrophobicContact CD1-CD1 4.48Å; Y168-L195 HydrophobicContact CD2-CD2 4.02Å; Y168-L195 HydrophobicContact CG-CD1 4.18Å; Y168-L195 HydrophobicContact CG-CD2 4.12Å; Y168-V199 HydrophobicContact CD1-CG2 3.79Å; Y168-V199 HydrophobicContact CE1-CB 4.39Å; Y168-V199 HydrophobicContact CE1-CG1 3.89Å; Y168-V199 HydrophobicContact CE1-CG2 3.58Å; Y168-V204 HydrophobicContact CD1-CG1 4.14Å; Y168-V204 HydrophobicContact CE1-CG1 3.72Å; Y168-R205 WeakPolarHBondContact CE1-O 3.28Å; Y168-R205 PolarHBondContact OH-O 2.85Å; Y168-P207 HydrophobicContact CE2-CG 3.97Å; Y168-P207 WeakPolarHBondContact OH-CD 3.45Å; Y168-P207 WeakPolarHBondContact OH-CG 3.43Å; Y168-P207 VanDerWaalsContact OH-N 3.13Å
169K96.8Very high96.8Very high120 Ų12036.5 Ų36.552%0.52218%0.181SC..Hα-helixtrans-60.9-45.4173.2-178.1175-178.4-70.20111.4Q165 V167 I171 S172 E173Q165-K169 WeakPolarHBondContact O-CB 3.24Å; Q165-K169 PolarHBondContact O-N 2.8Å; V167-K169 PolarHBondContact O-N 3.36Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.22Å; K169-S172 PolarHBondContact O-N 2.83Å; K169-E173 WeakPolarHBondContact CE-OE1 3.35Å; K169-E173 IonicContact NZ-OE1 3.44Å; K169-E173 PolarHBondContact NZ-OE1 2.87Å; K169-E173 IonicContact NZ-OE2 3.6Å; K169-E173 WeakPolarHBondContact O-CG 3.35Å; K169-E173 PolarHBondContact O-N 2.89Å
170W97.3Very high96.9Very high25 Ų2536.5 Ų36.510%0.09518%0.181CC..Hα-helixtrans-59.5-41.9178.5177.391000112.5F65 L67 L103 I141 T166 V167 R174F65-W170 HydrophobicContact CD2-CZ2 4.22Å; F65-W170 HydrophobicContact CE1-CH2 4.08Å; F65-W170 HydrophobicContact CE1-CZ2 4.46Å; F65-W170 HydrophobicContact CE2-CD2 4.09Å; F65-W170 AromaticContact CE2-CE2 3.72Å; F65-W170 HydrophobicContact CE2-CE3 4.28Å; F65-W170 AromaticContact CE2-CH2 3.85Å; F65-W170 HydrophobicContact CE2-CH2 3.85Å; F65-W170 AromaticContact CE2-CZ2 3.6Å; F65-W170 HydrophobicContact CE2-CZ2 3.6Å; F65-W170 HydrophobicContact CE2-CZ3 4.18Å; F65-W170 HydrophobicContact CZ-CD2 4.4Å; F65-W170 HydrophobicContact CZ-CE3 4.14Å; F65-W170 AromaticContact CZ-CH2 3.47Å; F65-W170 HydrophobicContact CZ-CH2 3.47Å; F65-W170 VanDerWaalsContact CZ-CH2 3.47Å; F65-W170 AromaticContact CZ-CZ2 3.74Å; F65-W170 HydrophobicContact CZ-CZ2 3.74Å; F65-W170 AromaticContact CZ-CZ3 3.69Å; F65-W170 HydrophobicContact CZ-CZ3 3.69Å; L67-W170 HydrophobicContact CD1-CB 4.04Å; L67-W170 HydrophobicContact CD1-CD2 4.32Å; L67-W170 HydrophobicContact CD1-CG 3.98Å; L67-W170 HydrophobicContact CD2-CB 4.42Å; L67-W170 HydrophobicContact CD2-CD2 4.28Å; L67-W170 HydrophobicContact CD2-CG 3.78Å; L103-W170 HydrophobicContact CD2-CH2 3.89Å; L103-W170 HydrophobicContact CD2-CZ3 3.78Å; I141-W170 HydrophobicContact CD1-CH2 4.45Å; I141-W170 HydrophobicContact CD1-CZ3 3.94Å; I141-W170 HydrophobicContact CG1-CZ3 4.42Å; T166-W170 WeakPolarHBondContact O-CB 3.19Å; T166-W170 PolarHBondContact O-N 2.68Å; V167-W170 WeakPolarHBondContact O-CB 3.45Å; V167-W170 PolarHBondContact O-N 2.73Å; V167-W170 VanDerWaalsContact O-N 3.13Å; W170-R174 VanDerWaalsContact CD1-NH1 3.27Å; W170-R174 PolarHBondContact O-NH1 2.83Å
171I97.8Very high96.9Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-64.9-51.7174.9-62.4172.7000109.8I110 M112 I141 V167 Y168 K169 E173 R174 S175 I180I110-I171 HydrophobicContact CD1-CG2 4.01Å; I110-I171 HydrophobicContact CG2-CG2 3.96Å; M112-I171 HydrophobicContact CB-CD1 3.82Å; M112-I171 HydrophobicContact CG-CD1 3.88Å; M112-I171 HydrophobicContact SD-CD1 3.92Å; I141-I171 HydrophobicContact CB-CD1 3.83Å; I141-I171 HydrophobicContact CB-CG1 4.43Å; I141-I171 HydrophobicContact CG1-CD1 3.81Å; I141-I171 HydrophobicContact CG1-CG1 4.02Å; I141-I171 HydrophobicContact CG2-CD1 3.93Å; I141-I171 HydrophobicContact CG2-CG1 4.3Å; V167-I171 HydrophobicContact CG1-CD1 4Å; V167-I171 HydrophobicContact CG1-CG1 4.38Å; V167-I171 WeakPolarHBondContact O-CG1 3.39Å; V167-I171 PolarHBondContact O-N 3.41Å; Y168-I171 PolarHBondContact O-N 2.85Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.22Å; I171-E173 PolarHBondContact O-N 2.85Å; I171-R174 CarbonylContact O-C 3.46Å; I171-R174 PolarHBondContact O-N 2.98Å; I171-S175 WeakPolarHBondContact O-CB 3.28Å; I171-S175 PolarHBondContact O-N 3.39Å; I171-S175 PolarHBondContact O-OG 2.83Å; I171-I180 HydrophobicContact CB-CD1 4.46Å; I171-I180 HydrophobicContact CG2-CD1 3.7Å; I171-I180 HydrophobicContact CG2-CG1 3.96Å; I171-I180 HydrophobicContact CG2-CG2 4.45Å
172S95.7Very high97Very high26 Ų2636.1 Ų36.118%0.18218%0.179CC..Hα-helixtrans-59.3-33.8-174.6-59.30000112.9Y168 K169 R174Y168-S172 WeakPolarHBondContact O-CB 3.47Å; Y168-S172 PolarHBondContact O-N 2.77Å; Y168-S172 PolarHBondContact O-OG 2.89Å; K169-S172 PolarHBondContact O-N 2.83Å; S172-R174 VanDerWaalsContact C-N 3.27Å; S172-R174 PolarHBondContact O-N 3.06Å
173E95.3Very high97Very high116 Ų11631.4 Ų31.454%0.54216%0.161SC..THydrogen-bonded Turntrans-73.8-15.2176.9-72.1172.7168.200114K169 I171K169-E173 WeakPolarHBondContact CE-OE1 3.35Å; K169-E173 IonicContact NZ-OE1 3.44Å; K169-E173 PolarHBondContact NZ-OE1 2.87Å; K169-E173 IonicContact NZ-OE2 3.6Å; K169-E173 WeakPolarHBondContact O-CG 3.35Å; K169-E173 PolarHBondContact O-N 2.89Å; I171-E173 PolarHBondContact O-N 2.85Å
174R96.3Very high97Very high75 Ų7531.4 Ų31.428%0.28316%0.161SC..THydrogen-bonded Turntrans-122.9-11.4-172.1-71.1170.4179.167.47.2114.1D100 L103 A104 W170 I171 S172 G176D100-R174 IonicContact OD1-NE 3.52Å; D100-R174 IonicContact OD2-NE 2.74Å; D100-R174 PolarHBondContact OD2-NE 3.09Å; L103-R174 HydrophobicContact CD2-CB 3.84Å; A104-R174 WeakPolarHBondContact CA-O 3.5Å; A104-R174 WeakPolarHBondContact CB-O 3.34Å; A104-R174 PolarHBondContact N-O 2.98Å; W170-R174 VanDerWaalsContact CD1-NH1 3.27Å; W170-R174 PolarHBondContact O-NH1 2.83Å; I171-R174 CarbonylContact O-C 3.46Å; I171-R174 PolarHBondContact O-N 2.98Å; S172-R174 VanDerWaalsContact C-N 3.27Å; S172-R174 PolarHBondContact O-N 3.06Å; R174-G176 VanDerWaalsContact C-N 3.25Å; R174-G176 PolarHBondContact O-N 2.8Å
175S95.6Very high97Very high0 Ų031.5 Ų31.50%016%0.162CC..SBendtrans-76.3-7.2-174.657.60000114.6I171 D177 N178 R205I171-S175 WeakPolarHBondContact O-CB 3.28Å; I171-S175 PolarHBondContact O-N 3.39Å; I171-S175 PolarHBondContact O-OG 2.83Å; S175-D177 PolarHBondContact O-N 3.18Å; S175-N178 WeakPolarHBondContact O-CB 3.45Å; S175-N178 PolarHBondContact O-N 3.08Å; S175-N178 PolarHBondContact O-ND2 3.3Å; S175-R205 PolarHBondContact OG-NH1 3.29Å
176G93.6Very high97Very high37 Ų3728 Ų2838%0.38115%0.146SC..THydrogen-bonded Turntrans53.3-133.8-162.100000109.5R174 R205R174-G176 VanDerWaalsContact C-N 3.25Å; R174-G176 PolarHBondContact O-N 2.8Å; G176-R205 PolarHBondContact O-NH1 3.11Å
177D93Very high97Very high120 Ų12026.4 Ų26.464%0.64214%0.136SC*.THydrogen-bonded Turntrans-94.38.8175.3-41.1-57.5000113.5Q106 S175 R205Q106-D177 PolarHBondContact NE2-OD2 3.2Å; Q106-D177 VanDerWaalsContact NE2-OD2 3.1Å; S175-D177 PolarHBondContact O-N 3.18Å; D177-R205 VanDerWaalsContact C-NH2 3.3Å; D177-R205 PolarHBondContact O-NH2 2.89Å
178N95.4Very high97Very high0 Ų026.4 Ų26.40%014%0.136CC..  trans-58.8132.2175.3-82.4-56.9000110.8L103 K105 Q106 G107 Y108 I110 S175 R205L103-N178 PolarHBondContact O-ND2 3.49Å; L103-N178 VanDerWaalsContact O-ND2 3.09Å; K105-N178 PolarHBondContact O-ND2 3.17Å; K105-N178 PolarHBondContact O-OD1 3.11Å; Q106-N178 WeakPolarHBondContact CA-OD1 3.48Å; G107-N178 PolarHBondContact N-OD1 3.35Å; Y108-N178 PolarHBondContact N-OD1 3.12Å; Y108-N178 PolarHBondContact O-OD1 3.23Å; I110-N178 HydrophobicContact CD1-CB 4.06Å; I110-N178 HydrophobicContact CG1-CB 4.36Å; S175-N178 WeakPolarHBondContact O-CB 3.45Å; S175-N178 PolarHBondContact O-N 3.08Å; S175-N178 PolarHBondContact O-ND2 3.3Å; N178-R205 VanDerWaalsContact O-CZ 3.23Å; N178-R205 PolarHBondContact O-NH1 2.88Å; N178-R205 PolarHBondContact O-NH2 3.48Å
179P96.4Very high97Very high15 Ų1526.2 Ų26.210%0.09714%0.135CC..  trans-59.1139.4176.4-21.430.3000111.8P109 I110 A208 I330P109-P179 WeakPolarHBondContact CA-O 3.41Å; P109-P179 HydrophobicContact CB-CB 4.34Å; I110-P179 PolarHBondContact N-O 3.48Å; P179-A208 HydrophobicContact CB-CB 3.73Å; P179-I330 HydrophobicContact CG-CG1 4.02Å
180I97.8Very high97Very high1 Ų120.5 Ų20.51%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-105.5123.1174.8-55.4169.5000108.5I110 Y168 I171 P207 A208I110-I180 CarbonylContact O-C 3.59Å; I110-I180 WeakPolarHBondContact O-CA 3.3Å; Y168-I180 HydrophobicContact CD2-CG2 4.36Å; Y168-I180 HydrophobicContact CE2-CB 4.39Å; Y168-I180 HydrophobicContact CE2-CD1 4.25Å; Y168-I180 HydrophobicContact CE2-CG2 3.8Å; I171-I180 HydrophobicContact CB-CD1 4.46Å; I171-I180 HydrophobicContact CG2-CD1 3.7Å; I171-I180 HydrophobicContact CG2-CG1 3.96Å; I171-I180 HydrophobicContact CG2-CG2 4.45Å; I180-P207 CarbonylContact O-C 3.6Å; I180-P207 VanDerWaalsContact O-CA 3.27Å; I180-P207 WeakPolarHBondContact O-CA 3.41Å; I180-P207 WeakPolarHBondContact O-CB 3.32Å; I180-A208 PolarHBondContact O-N 2.82Å
181L98.5Very high97.1Very high1 Ų119.7 Ų19.71%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-105.3136.4172.2-60.3101.4000109.8P109 I110 V111 M112 G209 I211 F325 V326P109-L181 HydrophobicContact CB-CD1 3.65Å; I110-L181 PolarHBondContact O-N 3.39Å; V111-L181 WeakPolarHBondContact CA-O 3.39Å; V111-L181 HydrophobicContact CG2-CB 4.4Å; M112-L181 PolarHBondContact N-O 3.46Å; L181-G209 WeakPolarHBondContact CA-O 3.5Å; L181-I211 HydrophobicContact CD2-CD1 4.32Å; L181-F325 HydrophobicContact CD2-CE1 4.41Å; L181-V326 HydrophobicContact CD1-CG2 4.45Å; L181-V326 HydrophobicContact CD2-CG2 3.78Å
182L98.8Very high97.1Very high0 Ų019.7 Ų19.70%011%0.108CC..EExtended strand (participates in β ladder)trans-92123.3172.6-60.2-173.1000108.7M112 M114 Y168 A192 L195 P207 G209 L210 I211 F264M112-L182 HydrophobicContact CB-CD2 4.21Å; M112-L182 HydrophobicContact SD-CD2 4.18Å; M114-L182 HydrophobicContact CE-CB 3.85Å; M114-L182 HydrophobicContact CE-CD2 4.03Å; M114-L182 HydrophobicContact CE-CG 4.41Å; Y168-L182 HydrophobicContact CD2-CD2 4.03Å; Y168-L182 HydrophobicContact CE2-CD2 4.05Å; L182-A192 HydrophobicContact CB-CB 4.44Å; L182-L195 HydrophobicContact CD1-CD2 4.13Å; L182-L195 HydrophobicContact CD1-CG 4.24Å; L182-L195 HydrophobicContact CD2-CD2 3.84Å; L182-P207 HydrophobicContact CD1-CB 4.29Å; L182-P207 HydrophobicContact CD1-CG 3.79Å; L182-P207 HydrophobicContact CD2-CG 4.44Å; L182-P207 HydrophobicContact CG-CB 3.99Å; L182-P207 HydrophobicContact CG-CG 3.95Å; L182-G209 PolarHBondContact N-O 2.87Å; L182-L210 HydrophobicContact CB-CD1 3.69Å; L182-L210 CarbonylContact O-C 3.21Å; L182-L210 WeakPolarHBondContact O-CA 3.42Å; L182-I211 PolarHBondContact O-N 3.09Å; L182-F264 HydrophobicContact CD1-CZ 4.4Å
183W98.9Very high97.3Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-117115.2172.5-171.6-57.2000109.6V111 M112 Y113 M114 M129 L133 I211 E213 L269 V322V111-W183 HydrophobicContact CG1-CB 3.56Å; V111-W183 HydrophobicContact CG1-CE3 4.45Å; V111-W183 HydrophobicContact CG1-CG 4.43Å; M112-W183 PolarHBondContact O-N 3.01Å; Y113-W183 HydrophobicContact CD2-CB 4.03Å; Y113-W183 AromaticContact CD2-CD1 3.59Å; Y113-W183 HydrophobicContact CD2-CD2 4.38Å; Y113-W183 AromaticContact CD2-CG 3.74Å; Y113-W183 HydrophobicContact CD2-CG 3.74Å; Y113-W183 AromaticContact CE2-CD1 3.26Å; Y113-W183 HydrophobicContact CE2-CD2 4.26Å; Y113-W183 AromaticContact CE2-CG 3.82Å; Y113-W183 HydrophobicContact CE2-CG 3.82Å; Y113-W183 AromaticContact CE2-NE1 3.46Å; M114-W183 PolarHBondContact N-O 3.28Å; M129-W183 HydrophobicContact CE-CH2 4.27Å; M129-W183 HydrophobicContact CE-CZ2 3.64Å; M129-W183 HydrophobicContact SD-CH2 3.81Å; M129-W183 HydrophobicContact SD-CZ2 3.64Å; L133-W183 HydrophobicContact CD2-CE3 4.06Å; L133-W183 HydrophobicContact CD2-CH2 4.5Å; L133-W183 HydrophobicContact CD2-CZ3 3.73Å; W183-I211 WeakPolarHBondContact CA-O 3.21Å; W183-I211 HydrophobicContact CB-CB 4.46Å; W183-I211 HydrophobicContact CD2-CB 3.93Å; W183-I211 HydrophobicContact CD2-CD1 4.33Å; W183-I211 HydrophobicContact CD2-CG2 3.67Å; W183-I211 HydrophobicContact CE3-CB 3.83Å; W183-I211 HydrophobicContact CE3-CD1 3.38Å; W183-I211 HydrophobicContact CE3-CG1 4.18Å; W183-I211 HydrophobicContact CE3-CG2 3.63Å; W183-I211 HydrophobicContact CG-CB 4.25Å; W183-I211 HydrophobicContact CG-CG2 4.34Å; W183-I211 HydrophobicContact CH2-CG2 3.89Å; W183-I211 HydrophobicContact CZ2-CG2 3.95Å; W183-I211 HydrophobicContact CZ3-CB 4.34Å; W183-I211 HydrophobicContact CZ3-CD1 3.6Å; W183-I211 HydrophobicContact CZ3-CG2 3.74Å; W183-E213 PolarHBondContact NE1-OE2 3.35Å; W183-L269 HydrophobicContact CH2-CD1 3.76Å; W183-L269 HydrophobicContact CZ2-CD1 3.72Å; W183-V322 HydrophobicContact CH2-CG2 3.62Å; W183-V322 HydrophobicContact CZ3-CG1 4.02Å; W183-V322 HydrophobicContact CZ3-CG2 3.69Å
184G98.8Very high97.4Very high0 Ų014.1 Ų14.10%08%0.078CC..EExtended strand (participates in β ladder)trans-107.6135.9173.600000111.5M114 G188 T189 I211 E213M114-G184 WeakPolarHBondContact O-CA 3.13Å; G184-G188 VanDerWaalsContact CA-C 3.47Å; G184-G188 WeakPolarHBondContact CA-O 3.43Å; G184-T189 VanDerWaalsContact O-CG2 3.25Å; G184-T189 WeakPolarHBondContact O-CG2 3.19Å; G184-I211 PolarHBondContact N-O 2.97Å; G184-E213 WeakPolarHBondContact O-CB 3.24Å; G184-E213 PolarHBondContact O-N 3.32Å
185H98.6Very high97.5Very high3 Ų310.6 Ų10.61%0.0147%0.065CC..EExtended strand (participates in β ladder)trans-114.7129.2168.8174.6-124.4000111.3M114 H115 G116 H125 L187 G188 E213 H309M114-H185 PolarHBondContact O-N 3.45Å; H115-H185 CarbonylContact C-O 3.54Å; G116-H185 WeakPolarHBondContact CA-O 3.46Å; G116-H185 PolarHBondContact N-O 3.48Å; H125-H185 AromaticContact NE2-CE1 3.98Å; H185-L187 PolarHBondContact O-N 3.26Å; H185-G188 WeakPolarHBondContact O-CA 3.41Å; H185-G188 PolarHBondContact O-N 3.14Å; H185-E213 CarbonylContact C-O 3.55Å; H185-E213 WeakPolarHBondContact CA-O 3.34Å; H185-E213 HydrophobicContact CB-CB 4.29Å; H185-E213 PolarHBondContact CD2-O 3.44Å; H185-E213 IonicContact CD2-OE1 3.09Å; H185-E213 IonicContact CD2-OE2 3.41Å; H185-E213 IonicContact CG-OE2 3.3Å; H185-E213 IonicContact NE2-OE1 3.81Å; H185-H309 PolarHBondContact NE2-O 3.39Å
186S97.8Very high97.6Very high6 Ų610.6 Ų10.64%0.0427%0.065CC..THydrogen-bonded Turntrans53.3-119.7177.1-173.10000110.9G188 T189 E213 F216 H309S186-G188 PolarHBondContact O-N 2.85Å; S186-T189 WeakPolarHBondContact O-CB 3.1Å; S186-T189 WeakPolarHBondContact O-CG2 3.39Å; S186-T189 PolarHBondContact O-N 3.33Å; S186-T189 PolarHBondContact O-OG1 3.49Å; S186-E213 PolarHBondContact N-O 2.93Å; S186-F216 WeakPolarHBondContact O-CE1 3.25Å; S186-H309 VanDerWaalsContact CB-CE1 3.47Å; S186-H309 WeakPolarHBondContact CB-CE1 3.33Å; S186-H309 WeakPolarHBondContact CB-NE2 3.13Å; S186-H309 PolarHBondContact OG-CE1 3.45Å; S186-H309 PolarHBondContact OG-NE2 3.34Å
187L97.2Very high97.8Very high6 Ų610.9 Ų10.93%0.0316%0.056CC..Hα-helixtrans-48.2-36.4172.1-171.165.9000113.6F39 N117 H185 T189 A190 I191 F216 F253F39-L187 HydrophobicContact CD1-CD2 3.78Å; F39-L187 HydrophobicContact CE1-CD2 3.92Å; N117-L187 HydrophobicContact CB-CD2 4.25Å; H185-L187 PolarHBondContact O-N 3.26Å; L187-T189 PolarHBondContact O-N 3.49Å; L187-A190 PolarHBondContact O-N 3.29Å; L187-I191 HydrophobicContact CD2-CD1 4.46Å; L187-I191 HydrophobicContact CG-CD1 4.06Å; L187-I191 PolarHBondContact O-N 2.92Å; L187-F216 HydrophobicContact CD1-CZ 4.41Å; L187-F253 HydrophobicContact CD1-CD1 3.8Å; L187-F253 HydrophobicContact CD1-CD2 4.2Å; L187-F253 HydrophobicContact CD1-CE1 3.54Å; L187-F253 HydrophobicContact CD1-CE2 3.96Å; L187-F253 HydrophobicContact CD1-CG 4.11Å; L187-F253 HydrophobicContact CD1-CZ 3.63Å; L187-F253 HydrophobicContact CG-CE1 4.2Å; L187-F253 HydrophobicContact CG-CZ 4.45Å
188G98.3Very high98Very high0 Ų07.7 Ų7.70%04%0.037CC..Hα-helixtrans-58.8-24.5176.400000114.1H115 G184 H185 S186 I191 A192H115-G188 PolarHBondContact O-N 2.04Å; G184-G188 VanDerWaalsContact CA-C 3.47Å; G184-G188 WeakPolarHBondContact CA-O 3.43Å; H185-G188 WeakPolarHBondContact O-CA 3.41Å; H185-G188 PolarHBondContact O-N 3.14Å; S186-G188 PolarHBondContact O-N 2.85Å; G188-I191 PolarHBondContact O-N 2.99Å; G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 3.04Å
189T98.7Very high97.9Very high0 Ų08 Ų80%04%0.039CC..Hα-helixtrans-67.5-40.3178.165.90000111.6G184 S186 L187 T193 L212 E213 P215G184-T189 VanDerWaalsContact O-CG2 3.25Å; G184-T189 WeakPolarHBondContact O-CG2 3.19Å; S186-T189 WeakPolarHBondContact O-CB 3.1Å; S186-T189 WeakPolarHBondContact O-CG2 3.39Å; S186-T189 PolarHBondContact O-N 3.33Å; S186-T189 PolarHBondContact O-OG1 3.49Å; L187-T189 PolarHBondContact O-N 3.49Å; T189-T193 VanDerWaalsContact O-CB 3.32Å; T189-T193 WeakPolarHBondContact O-CB 3.43Å; T189-T193 PolarHBondContact O-N 3.39Å; T189-T193 PolarHBondContact O-OG1 2.95Å; T189-L212 HydrophobicContact CG2-CB 4.17Å; T189-L212 HydrophobicContact CG2-CD2 4.22Å; T189-E213 VanDerWaalsContact CG2-O 3.28Å; T189-E213 WeakPolarHBondContact CG2-O 2.88Å; T189-P215 HydrophobicContact CG2-CB 3.8Å; T189-P215 WeakPolarHBondContact OG1-CA 3.31Å
190A98.4Very high97.8Very high0 Ų08.1 Ų8.10%04%0.04CC..Hα-helixtrans-69.8-36.4177.100000111.9L187 R194 F216 F253 T255L187-A190 PolarHBondContact O-N 3.29Å; A190-R194 WeakPolarHBondContact O-CB 3.2Å; A190-R194 PolarHBondContact O-N 3.38Å; A190-R194 VanDerWaalsContact O-N 3.09Å; A190-F216 HydrophobicContact CB-CE2 4.17Å; A190-F216 HydrophobicContact CB-CZ 3.79Å; A190-F253 HydrophobicContact CB-CB 3.66Å; A190-F253 HydrophobicContact CB-CD1 3.69Å; A190-F253 HydrophobicContact CB-CG 4.12Å; A190-T255 WeakPolarHBondContact CA-OG1 3.49Å; A190-T255 WeakPolarHBondContact CB-OG1 3.43Å
191I98.4Very high97.5Very high8 Ų814.2 Ų14.24%0.0417%0.068CC..Hα-helixtrans-67.8-48.9176.6-63.9160.7000110.2M114 Y145 I160 V164 L187 G188 T193 R194 L195 F253M114-I191 HydrophobicContact SD-CG2 4.07Å; Y145-I191 HydrophobicContact CE1-CD1 4.19Å; Y145-I191 HydrophobicContact CE1-CG2 4.38Å; Y145-I191 HydrophobicContact CE2-CD1 3.83Å; I160-I191 HydrophobicContact CG2-CD1 3.61Å; I160-I191 HydrophobicContact CG2-CG1 3.86Å; I160-I191 HydrophobicContact CG2-CG2 3.91Å; V164-I191 HydrophobicContact CB-CG2 4.26Å; V164-I191 HydrophobicContact CG1-CG2 3.41Å; V164-I191 VanDerWaalsContact CG1-CG2 3.41Å; V164-I191 HydrophobicContact CG2-CG2 3.97Å; L187-I191 HydrophobicContact CD2-CD1 4.46Å; L187-I191 HydrophobicContact CG-CD1 4.06Å; L187-I191 PolarHBondContact O-N 2.92Å; G188-I191 PolarHBondContact O-N 2.99Å; I191-T193 VanDerWaalsContact C-N 3.35Å; I191-T193 PolarHBondContact O-N 3.19Å; I191-R194 PolarHBondContact O-N 3.48Å; I191-L195 PolarHBondContact O-N 3.4Å; I191-F253 HydrophobicContact CG1-CE1 4.2Å
192A98.7Very high97.1Very high0 Ų016.3 Ų16.30%08%0.083CC..Hα-helixtrans-61.3-41.8178.200000112.2M114 L182 G188 L195 G196 L210M114-A192 HydrophobicContact CE-CB 3.36Å; M114-A192 VanDerWaalsContact SD-CA 3.57Å; M114-A192 HydrophobicContact SD-CB 3.72Å; L182-A192 HydrophobicContact CB-CB 4.44Å; G188-A192 WeakPolarHBondContact O-CB 3.31Å; G188-A192 PolarHBondContact O-N 3.04Å; A192-L195 PolarHBondContact O-N 3.19Å; A192-G196 PolarHBondContact O-N 3.44Å; A192-L210 HydrophobicContact CB-CD1 3.62Å
193T98.6Very high96.5Very high0 Ų024.8 Ų24.80%013%0.129CC..Hα-helixtrans-66.2-40.2177.8-55.80000111.6T189 I191 G196 Q197 T255 R258 I259 V262T189-T193 VanDerWaalsContact O-CB 3.32Å; T189-T193 WeakPolarHBondContact O-CB 3.43Å; T189-T193 PolarHBondContact O-N 3.39Å; T189-T193 PolarHBondContact O-OG1 2.95Å; I191-T193 VanDerWaalsContact C-N 3.35Å; I191-T193 PolarHBondContact O-N 3.19Å; T193-G196 PolarHBondContact O-N 2.9Å; T193-Q197 PolarHBondContact O-N 2.92Å; T193-T255 HydrophobicContact CG2-CG2 3.86Å; T193-T255 WeakPolarHBondContact OG1-CG2 3.16Å; T193-R258 HydrophobicContact CG2-CB 3.93Å; T193-I259 HydrophobicContact CG2-CB 3.84Å; T193-I259 HydrophobicContact CG2-CG1 4.21Å; T193-V262 HydrophobicContact CG2-CG2 4.23Å
194R98.2Very high95.9Very high24 Ų2428 Ų289%0.09115%0.148CC..Hα-helixtrans-61.5-50.3175-177.3178.7178.2165.2-7.2111.5E157 E158 N161 A190 I191 G196 Q197 E198E157-R194 IonicContact OE1-NH1 3.77Å; E158-R194 VanDerWaalsContact CD-NH2 3.31Å; E158-R194 IonicContact OE1-CZ 2.66Å; E158-R194 IonicContact OE1-NH1 3.88Å; E158-R194 PolarHBondContact OE1-NH1 2.89Å; E158-R194 IonicContact OE1-NH2 3.82Å; E158-R194 PolarHBondContact OE1-NH2 3.07Å; E158-R194 IonicContact OE2-CZ 3.78Å; E158-R194 IonicContact OE2-NH2 2.67Å; E158-R194 PolarHBondContact OE2-NH2 2.7Å; N161-R194 VanDerWaalsContact CG-CZ 3.48Å; N161-R194 PolarHBondContact ND2-NE 3.46Å; N161-R194 PolarHBondContact ND2-NH2 2.99Å; N161-R194 WeakPolarHBondContact OD1-CD 3.31Å; N161-R194 WeakPolarHBondContact OD1-CG 3.36Å; N161-R194 PolarHBondContact OD1-NE 3.16Å; N161-R194 VanDerWaalsContact OD1-NE 3.11Å; A190-R194 WeakPolarHBondContact O-CB 3.2Å; A190-R194 PolarHBondContact O-N 3.38Å; A190-R194 VanDerWaalsContact O-N 3.09Å; I191-R194 PolarHBondContact O-N 3.48Å; R194-G196 VanDerWaalsContact C-N 3.27Å; R194-G196 PolarHBondContact O-N 3.03Å; R194-Q197 PolarHBondContact O-N 3.01Å; R194-E198 HydrophobicContact CG-CG 4.47Å; R194-E198 IonicContact CZ-OE1 3.32Å; R194-E198 IonicContact NE-OE1 2.64Å; R194-E198 PolarHBondContact NE-OE1 2.66Å; R194-E198 IonicContact NH2-OE1 3.85Å; R194-E198 WeakPolarHBondContact O-CG 3.4Å; R194-E198 PolarHBondContact O-N 3.14Å
195L98.2Very high95.5Very high1 Ų131.2 Ų31.21%0.00516%0.16CC..Hα-helixtrans-56.4-45.6175.3174.964.7000110.8M112 M114 V164 Q165 Y168 L182 I191 A192 Q197 E198 V199M112-L195 HydrophobicContact CE-CD2 3.99Å; M112-L195 HydrophobicContact SD-CD2 4.05Å; M114-L195 HydrophobicContact SD-CD2 4.47Å; V164-L195 HydrophobicContact CB-CD2 4.27Å; V164-L195 HydrophobicContact CG2-CB 4.11Å; V164-L195 HydrophobicContact CG2-CD1 4.39Å; V164-L195 HydrophobicContact CG2-CD2 4.37Å; Q165-L195 HydrophobicContact CG-CD1 4.2Å; Y168-L195 HydrophobicContact CD1-CD1 4.48Å; Y168-L195 HydrophobicContact CD2-CD2 4.02Å; Y168-L195 HydrophobicContact CG-CD1 4.18Å; Y168-L195 HydrophobicContact CG-CD2 4.12Å; L182-L195 HydrophobicContact CD1-CD2 4.13Å; L182-L195 HydrophobicContact CD1-CG 4.24Å; L182-L195 HydrophobicContact CD2-CD2 3.84Å; I191-L195 PolarHBondContact O-N 3.4Å; A192-L195 PolarHBondContact O-N 3.19Å; L195-Q197 PolarHBondContact O-N 3.44Å; L195-E198 PolarHBondContact O-N 3.18Å; L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.37Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.05Å; L195-V199 PolarHBondContact O-N 3.09Å
196G97.6Very high95.3Very high0 Ų037.4 Ų37.40%018%0.183CC..Hα-helixtrans-56.5-49.717800000113.4A192 T193 R194 C200A192-G196 PolarHBondContact O-N 3.44Å; T193-G196 PolarHBondContact O-N 2.9Å; R194-G196 VanDerWaalsContact C-N 3.27Å; R194-G196 PolarHBondContact O-N 3.03Å; G196-C200 WeakPolarHBondContact O-CB 3.29Å; G196-C200 PolarHBondContact O-N 2.74Å; G196-C200 PolarHBondContact O-SG 2.79Å
197Q97.2Very high95.2Very high44 Ų4437.3 Ų37.321%0.20618%0.183CC..Hα-helixtrans-57.5-52.4173.8169.6-174.310.400111.3T193 R194 L195 V199 C200 H201 H261T193-Q197 PolarHBondContact O-N 2.92Å; R194-Q197 PolarHBondContact O-N 3.01Å; L195-Q197 PolarHBondContact O-N 3.44Å; Q197-V199 VanDerWaalsContact C-N 3.28Å; Q197-V199 PolarHBondContact O-N 3.44Å; Q197-C200 WeakPolarHBondContact O-CB 3.12Å; Q197-C200 PolarHBondContact O-N 3.3Å; Q197-H201 PolarHBondContact O-CD2 3.02Å; Q197-H201 PolarHBondContact O-N 3.09Å; Q197-H261 HydrophobicContact CB-CB 4.35Å; Q197-H261 HydrophobicContact CG-CB 3.7Å
198E96.9Very high95.2Very high52 Ų5237.3 Ų37.324%0.24318%0.184CC..Hα-helixtrans-61.2-39.5-174.6-72.3174.4175.200111.3N161 Q165 R194 L195 H201 S202N161-E198 PolarHBondContact ND2-OE1 3.02Å; N161-E198 PolarHBondContact ND2-OE2 2.76Å; N161-E198 PolarHBondContact OD1-OE2 3.27Å; Q165-E198 PolarHBondContact NE2-OE2 3.06Å; R194-E198 HydrophobicContact CG-CG 4.47Å; R194-E198 IonicContact CZ-OE1 3.32Å; R194-E198 IonicContact NE-OE1 2.64Å; R194-E198 PolarHBondContact NE-OE1 2.66Å; R194-E198 IonicContact NH2-OE1 3.85Å; R194-E198 WeakPolarHBondContact O-CG 3.4Å; R194-E198 PolarHBondContact O-N 3.14Å; L195-E198 PolarHBondContact O-N 3.18Å; E198-H201 CarbonylContact O-C 3.46Å; E198-H201 PolarHBondContact O-N 3.36Å; E198-S202 PolarHBondContact O-N 3.27Å
199V95Very high95.2Very high7 Ų737.3 Ų37.34%0.04218%0.184CC..Hα-helixtrans-68-40.7176.3175.90000111.7Y168 L195 Q197 H201 S202 V204 R205Y168-V199 HydrophobicContact CD1-CG2 3.79Å; Y168-V199 HydrophobicContact CE1-CB 4.39Å; Y168-V199 HydrophobicContact CE1-CG1 3.89Å; Y168-V199 HydrophobicContact CE1-CG2 3.58Å; L195-V199 HydrophobicContact CD1-CG2 3.9Å; L195-V199 HydrophobicContact CG-CG2 4.37Å; L195-V199 VanDerWaalsContact O-CG2 3.31Å; L195-V199 WeakPolarHBondContact O-CG2 3.05Å; L195-V199 PolarHBondContact O-N 3.09Å; Q197-V199 VanDerWaalsContact C-N 3.28Å; Q197-V199 PolarHBondContact O-N 3.44Å; V199-H201 PolarHBondContact O-N 2.94Å; V199-H201 VanDerWaalsContact O-N 3.14Å; V199-S202 WeakPolarHBondContact CA-OG 3.24Å; V199-S202 PolarHBondContact O-N 2.79Å; V199-S202 PolarHBondContact O-OG 3.23Å; V199-V204 HydrophobicContact CG1-CB 4.33Å; V199-R205 WeakPolarHBondContact CG1-O 3.34Å
200C93.8Very high95.2Very high18 Ų1837.3 Ų37.312%0.12218%0.184CC..Hα-helixtrans-59.4-23.2175.2-74.10000113.6G196 Q197 C263 F264G196-C200 WeakPolarHBondContact O-CB 3.29Å; G196-C200 PolarHBondContact O-N 2.74Å; G196-C200 PolarHBondContact O-SG 2.79Å; Q197-C200 WeakPolarHBondContact O-CB 3.12Å; Q197-C200 PolarHBondContact O-N 3.3Å; C200-C263 HydrophobicContact CB-CB 3.86Å; C200-C263 WeakPolarHBondContact CB-SG 3.19Å; C200-C263 WeakPolarHBondContact SG-CB 3.37Å; C200-C263 PolarHBondContact SG-N 2.86Å; C200-C263 CovalentContact SG-SG 2.04Å; C200-C263 PolarHBondContact SG-SG 3.27Å; C200-F264 VanDerWaalsContact SG-CE1 3.55Å
201H90.7Very high95.2Very high128 Ų12837.3 Ų37.359%0.59318%0.184SC*.THydrogen-bonded Turntrans-102.313.8176.7-65.8-62.2000114.1Q197 E198 V199Q197-H201 PolarHBondContact O-CD2 3.02Å; Q197-H201 PolarHBondContact O-N 3.09Å; E198-H201 CarbonylContact O-C 3.46Å; E198-H201 PolarHBondContact O-N 3.36Å; V199-H201 PolarHBondContact O-N 2.94Å; V199-H201 VanDerWaalsContact O-N 3.14Å
202S90.9Very high95.2Very high46 Ų4637 Ų3732%0.32218%0.182SC..SBendtrans-124171-179.877.70000111.5E198 V199 V204E198-S202 PolarHBondContact O-N 3.27Å; V199-S202 WeakPolarHBondContact CA-OG 3.24Å; V199-S202 PolarHBondContact O-N 2.79Å; V199-S202 PolarHBondContact O-OG 3.23Å; S202-V204 PolarHBondContact O-N 2.99Å; S202-V204 WeakPolarHBondContact OG-CB 3.41Å; S202-V204 PolarHBondContact OG-N 2.69Å
203D86.4Confident95.2Very high178 Ų17837.1 Ų37.195%0.95218%0.183SC*.SBendtrans-83.76.4172.3-60.7-41.7000113
204V86Confident95.2Very high67 Ų6737.4 Ų37.441%0.40619%0.185SC..SBendtrans-75.5144.9176.6-172.60000109.4Y168 V199 S202 R206Y168-V204 HydrophobicContact CD1-CG1 4.14Å; Y168-V204 HydrophobicContact CE1-CG1 3.72Å; V199-V204 HydrophobicContact CG1-CB 4.33Å; S202-V204 PolarHBondContact O-N 2.99Å; S202-V204 WeakPolarHBondContact OG-CB 3.41Å; S202-V204 PolarHBondContact OG-N 2.69Å; V204-R206 PolarHBondContact O-N 3.41Å
205R90Very high95.2Very high67 Ų6736.3 Ų36.325%0.25318%0.181SC..PPolyproline II helixtrans-46.1129.6173.8-178177.7-178.1-162.6-4.4110.3Y168 S175 G176 D177 N178 V199Y168-R205 WeakPolarHBondContact CE1-O 3.28Å; Y168-R205 PolarHBondContact OH-O 2.85Å; S175-R205 PolarHBondContact OG-NH1 3.29Å; G176-R205 PolarHBondContact O-NH1 3.11Å; D177-R205 VanDerWaalsContact C-NH2 3.3Å; D177-R205 PolarHBondContact O-NH2 2.89Å; N178-R205 VanDerWaalsContact O-CZ 3.23Å; N178-R205 PolarHBondContact O-NH1 2.88Å; N178-R205 PolarHBondContact O-NH2 3.48Å; V199-R205 WeakPolarHBondContact CG1-O 3.34Å
206R93.7Very high95.2Very high133 Ų13336.4 Ų36.450%0.50218%0.181SC..PPolyproline II helixtrans-75.5144.1-179.2-64.3176.6-173165.95.7111.3V204V204-R206 PolarHBondContact O-N 3.41Å
207P96.2Very high95.1Very high4 Ų436.4 Ų36.43%0.02618%0.181CC..PPolyproline II helixtrans-62150.2165.2-16.828.5000110.8Y168 I180 L182 F264Y168-P207 HydrophobicContact CE2-CG 3.97Å; Y168-P207 WeakPolarHBondContact OH-CD 3.45Å; Y168-P207 WeakPolarHBondContact OH-CG 3.43Å; Y168-P207 VanDerWaalsContact OH-N 3.13Å; I180-P207 CarbonylContact O-C 3.6Å; I180-P207 VanDerWaalsContact O-CA 3.27Å; I180-P207 WeakPolarHBondContact O-CA 3.41Å; I180-P207 WeakPolarHBondContact O-CB 3.32Å; L182-P207 HydrophobicContact CD1-CB 4.29Å; L182-P207 HydrophobicContact CD1-CG 3.79Å; L182-P207 HydrophobicContact CD2-CG 4.44Å; L182-P207 HydrophobicContact CG-CB 3.99Å; L182-P207 HydrophobicContact CG-CG 3.95Å; P207-F264 HydrophobicContact CB-CD1 4.09Å; P207-F264 HydrophobicContact CB-CE1 3.84Å; P207-F264 HydrophobicContact CB-CZ 4.07Å; P207-F264 VanDerWaalsContact CD-CE1 3.49Å; P207-F264 HydrophobicContact CG-CD1 4.23Å; P207-F264 HydrophobicContact CG-CE1 3.57Å; P207-F264 HydrophobicContact CG-CZ 3.89Å; P207-F264 VanDerWaalsContact O-CD1 3.22Å; P207-F264 WeakPolarHBondContact O-CD1 3.44Å; P207-F264 WeakPolarHBondContact O-CG 3.26Å
208A96.9Very high95.1Very high7 Ų735.2 Ų35.26%0.05818%0.176CC..SBendtrans-81.3-20.1175.900000112.8P179 I180 C329P179-A208 HydrophobicContact CB-CB 3.73Å; I180-A208 PolarHBondContact O-N 2.82Å; A208-C329 HydrophobicContact CB-CB 4.2Å; A208-C329 VanDerWaalsContact O-CB 3.28Å; A208-C329 WeakPolarHBondContact O-CB 3.48Å; A208-C329 PolarHBondContact O-SG 2.85Å
209G98Very high94.9Very high0 Ų033.1 Ų33.10%017%0.167CC..EExtended strand (participates in β ladder)trans-175.3165.6178.900000114L181 L182 P265L181-G209 WeakPolarHBondContact CA-O 3.5Å; L182-G209 PolarHBondContact N-O 2.87Å; G209-P265 WeakPolarHBondContact CA-O 3.37Å
210L98.7Very high94.9Very high0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-129.4123.2179.6170.870.1000111.4L182 A192 L212 V262 F264 P265 I266 L267L182-L210 HydrophobicContact CB-CD1 3.69Å; L182-L210 CarbonylContact O-C 3.21Å; L182-L210 WeakPolarHBondContact O-CA 3.42Å; A192-L210 HydrophobicContact CB-CD1 3.62Å; L210-L212 HydrophobicContact CD1-CD2 3.55Å; L210-L212 HydrophobicContact CD1-CG 4.41Å; L210-L212 HydrophobicContact CD2-CD1 4.31Å; L210-L212 HydrophobicContact CD2-CD2 3.89Å; L210-L212 HydrophobicContact CD2-CG 4.21Å; L210-L212 HydrophobicContact CG-CD2 3.58Å; L210-L212 HydrophobicContact CG-CG 3.92Å; L210-V262 HydrophobicContact CD2-CG2 4.41Å; L210-F264 HydrophobicContact CB-CD2 3.97Å; L210-F264 HydrophobicContact CB-CE2 3.42Å; L210-F264 VanDerWaalsContact CB-CE2 3.42Å; L210-F264 HydrophobicContact CB-CZ 4.49Å; L210-F264 HydrophobicContact CD2-CE2 4.24Å; L210-F264 HydrophobicContact CG-CE2 4.42Å; L210-P265 PolarHBondContact N-O 2.74Å; L210-I266 HydrophobicContact CD2-CG2 4.34Å; L210-I266 HydrophobicContact CG-CG2 4.45Å; L210-I266 CarbonylContact O-C 3.49Å; L210-I266 WeakPolarHBondContact O-CA 3.23Å; L210-L267 PolarHBondContact O-N 3.18Å
211I98.9Very high94.9Very high0 Ų034.7 Ų34.70%018%0.177CC..EExtended strand (participates in β ladder)trans-108.8119.6178.4-55.6169.6000107.8L181 L182 W183 G184 L267 L269 F325L181-I211 HydrophobicContact CD2-CD1 4.32Å; L182-I211 PolarHBondContact O-N 3.09Å; W183-I211 WeakPolarHBondContact CA-O 3.21Å; W183-I211 HydrophobicContact CB-CB 4.46Å; W183-I211 HydrophobicContact CD2-CB 3.93Å; W183-I211 HydrophobicContact CD2-CD1 4.33Å; W183-I211 HydrophobicContact CD2-CG2 3.67Å; W183-I211 HydrophobicContact CE3-CB 3.83Å; W183-I211 HydrophobicContact CE3-CD1 3.38Å; W183-I211 HydrophobicContact CE3-CG1 4.18Å; W183-I211 HydrophobicContact CE3-CG2 3.63Å; W183-I211 HydrophobicContact CG-CB 4.25Å; W183-I211 HydrophobicContact CG-CG2 4.34Å; W183-I211 HydrophobicContact CH2-CG2 3.89Å; W183-I211 HydrophobicContact CZ2-CG2 3.95Å; W183-I211 HydrophobicContact CZ3-CB 4.34Å; W183-I211 HydrophobicContact CZ3-CD1 3.6Å; W183-I211 HydrophobicContact CZ3-CG2 3.74Å; G184-I211 PolarHBondContact N-O 2.97Å; I211-L267 CarbonylContact C-O 3.54Å; I211-L267 WeakPolarHBondContact CA-O 3.45Å; I211-L267 HydrophobicContact CG1-CB 4.28Å; I211-L267 HydrophobicContact CG1-CD2 4.28Å; I211-L267 HydrophobicContact CG2-CB 4.49Å; I211-L267 HydrophobicContact CG2-CD2 4.1Å; I211-L267 HydrophobicContact CG2-CG 4.42Å; I211-L269 HydrophobicContact CG2-CD1 3.59Å; I211-L269 HydrophobicContact CG2-CG 4.27Å; I211-F325 HydrophobicContact CD1-CD1 3.91Å; I211-F325 HydrophobicContact CD1-CE1 4.1Å; I211-F325 HydrophobicContact CG1-CD1 3.69Å; I211-F325 HydrophobicContact CG1-CE1 3.47Å; I211-F325 VanDerWaalsContact CG1-CE1 3.47Å
212L98.9Very high95Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-112.4102.4-176.2-60.2-173.4000109.6T189 L210 P215 I259 I266 L267 F268 L269 L285T189-L212 HydrophobicContact CG2-CB 4.17Å; T189-L212 HydrophobicContact CG2-CD2 4.22Å; L210-L212 HydrophobicContact CD1-CD2 3.55Å; L210-L212 HydrophobicContact CD1-CG 4.41Å; L210-L212 HydrophobicContact CD2-CD1 4.31Å; L210-L212 HydrophobicContact CD2-CD2 3.89Å; L210-L212 HydrophobicContact CD2-CG 4.21Å; L210-L212 HydrophobicContact CG-CD2 3.58Å; L210-L212 HydrophobicContact CG-CG 3.92Å; L212-P215 HydrophobicContact CB-CB 4Å; L212-P215 HydrophobicContact CB-CG 3.94Å; L212-P215 WeakPolarHBondContact O-CD 3.29Å; L212-I259 HydrophobicContact CD1-CD1 3.94Å; L212-I266 HydrophobicContact CD1-CG2 3.89Å; L212-I266 HydrophobicContact CG-CG2 4.16Å; L212-L267 PolarHBondContact N-O 2.9Å; L212-F268 HydrophobicContact CB-CD1 4.42Å; L212-F268 HydrophobicContact CD1-CD1 4.2Å; L212-F268 HydrophobicContact CD1-CE1 3.8Å; L212-F268 HydrophobicContact CD1-CZ 4.16Å; L212-L269 PolarHBondContact O-N 3.09Å; L212-L285 HydrophobicContact CD1-CD2 4.17Å
213E98.7Very high95Very high4 Ų427.6 Ų27.62%0.01914%0.141CC..EExtended strand (participates in β ladder)trans-95.7122.5178.4-174.6-170.217000111.1W183 G184 H185 S186 T189 I312W183-E213 PolarHBondContact NE1-OE2 3.35Å; G184-E213 WeakPolarHBondContact O-CB 3.24Å; G184-E213 PolarHBondContact O-N 3.32Å; H185-E213 CarbonylContact C-O 3.55Å; H185-E213 WeakPolarHBondContact CA-O 3.34Å; H185-E213 HydrophobicContact CB-CB 4.29Å; H185-E213 PolarHBondContact CD2-O 3.44Å; H185-E213 IonicContact CD2-OE1 3.09Å; H185-E213 IonicContact CD2-OE2 3.41Å; H185-E213 IonicContact CG-OE2 3.3Å; H185-E213 IonicContact NE2-OE1 3.81Å; S186-E213 PolarHBondContact N-O 2.93Å; T189-E213 VanDerWaalsContact CG2-O 3.28Å; T189-E213 WeakPolarHBondContact CG2-O 2.88Å; E213-I312 HydrophobicContact CG-CD1 3.58Å; E213-I312 HydrophobicContact CG-CG1 4.14Å; E213-I312 WeakPolarHBondContact OE1-CG1 3.4Å
214A98.1Very high95.3Very high6 Ų622.6 Ų22.65%0.0511%0.109CC..SBendtrans50.849.3-173.900000114.5L269 H270A214-L269 PolarHBondContact N-O 3.31Å; A214-H270 WeakPolarHBondContact CA-ND1 3.36Å
215P98.5Very high95.6Very high0 Ų022.6 Ų22.60%010%0.104CC..  trans-73.8164.5-173.829.3-33.5000114.1T189 L212 F268 H270 I277 A282 L285T189-P215 HydrophobicContact CG2-CB 3.8Å; T189-P215 WeakPolarHBondContact OG1-CA 3.31Å; L212-P215 HydrophobicContact CB-CB 4Å; L212-P215 HydrophobicContact CB-CG 3.94Å; L212-P215 WeakPolarHBondContact O-CD 3.29Å; P215-F268 HydrophobicContact CG-CD1 3.8Å; P215-F268 HydrophobicContact CG-CE1 4.46Å; P215-H270 WeakPolarHBondContact CD-ND1 3.34Å; P215-I277 WeakPolarHBondContact O-CG2 3.42Å; P215-A282 HydrophobicContact CG-CB 3.91Å; P215-A282 WeakPolarHBondContact O-CB 3.44Å; P215-L285 HydrophobicContact CB-CD2 3.86Å
216F98Very high95.5Very high4 Ų421.4 Ų21.42%0.01810%0.101CC..  trans-137.6157172.259.2-89.7000110.2S186 L187 A190 V222 F253 T255 I277 L281S186-F216 WeakPolarHBondContact O-CE1 3.25Å; L187-F216 HydrophobicContact CD1-CZ 4.41Å; A190-F216 HydrophobicContact CB-CE2 4.17Å; A190-F216 HydrophobicContact CB-CZ 3.79Å; F216-V222 HydrophobicContact CB-CG2 3.45Å; F216-V222 VanDerWaalsContact CB-CG2 3.45Å; F216-V222 HydrophobicContact CD1-CG2 3.99Å; F216-V222 HydrophobicContact CD2-CG2 3.51Å; F216-V222 HydrophobicContact CE2-CG2 4.24Å; F216-V222 HydrophobicContact CG-CG2 3.36Å; F216-F253 HydrophobicContact CE2-CB 3.89Å; F216-F253 HydrophobicContact CZ-CB 4.14Å; F216-T255 WeakPolarHBondContact O-CB 3.32Å; F216-T255 PolarHBondContact O-OG1 3.37Å; F216-I277 HydrophobicContact CB-CG2 3.83Å; F216-I277 HydrophobicContact CD1-CD1 4.23Å; F216-L281 HydrophobicContact CB-CB 4.33Å; F216-L281 HydrophobicContact CB-CD1 4.4Å
217N96.8Very high95.1Very high0 Ų018.5 Ų18.50%010%0.1CC..SBendtrans-75.9-47.4-177.768.7-53.3000112.9E221 T255 D256 K284 L285N217-E221 PolarHBondContact ND2-OE1 2.95Å; N217-T255 CarbonylContact O-C 3.58Å; N217-T255 WeakPolarHBondContact O-CA 3.32Å; N217-T255 WeakPolarHBondContact O-CB 3.48Å; N217-T255 PolarHBondContact O-N 2.84Å; N217-D256 HydrophobicContact CB-CB 4.08Å; N217-D256 PolarHBondContact ND2-OD2 3.22Å; N217-D256 PolarHBondContact O-N 3.12Å; N217-K284 HydrophobicContact CB-CG 4.48Å; N217-L285 HydrophobicContact CB-CB 4.15Å
218N95.8Very high94.5Very high19 Ų1925.9 Ų25.910%0.10213%0.132CC..  trans-152.9160.2172.261.664.6000112.4A220 E221 V222 F253 D256N218-A220 VanDerWaalsContact C-N 3.29Å; N218-A220 PolarHBondContact O-N 3.18Å; N218-A220 WeakPolarHBondContact OD1-CB 3.42Å; N218-A220 PolarHBondContact OD1-N 3.23Å; N218-E221 PolarHBondContact ND2-OE1 3.1Å; N218-E221 PolarHBondContact O-N 3.24Å; N218-E221 PolarHBondContact OD1-N 2.9Å; N218-V222 PolarHBondContact O-N 2.67Å; N218-F253 WeakPolarHBondContact CA-O 3.32Å; N218-D256 PolarHBondContact ND2-OD2 3.05Å
219L93.8Very high94.1Very high8 Ų826.2 Ų26.24%0.04213%0.133CC..Hα-helixtrans-66.6-32.1-176.9-174.962.9000112.4I38 E221 V222 V223 C246 L251 N252 F253I38-L219 HydrophobicContact CD1-CD1 3.98Å; I38-L219 HydrophobicContact CD1-CD2 3.85Å; I38-L219 HydrophobicContact CD1-CG 4.31Å; I38-L219 HydrophobicContact CG1-CD2 3.93Å; I38-L219 HydrophobicContact CG2-CD2 4.01Å; L219-E221 VanDerWaalsContact C-N 3.3Å; L219-E221 PolarHBondContact O-N 3.45Å; L219-V222 HydrophobicContact CD1-CB 4.25Å; L219-V222 HydrophobicContact CD1-CG1 4.43Å; L219-V222 WeakPolarHBondContact O-CB 3.46Å; L219-V222 PolarHBondContact O-N 2.96Å; L219-V223 HydrophobicContact CD1-CG2 4.27Å; L219-V223 HydrophobicContact CG-CG2 4.15Å; L219-V223 WeakPolarHBondContact O-CG2 3.18Å; L219-V223 PolarHBondContact O-N 2.98Å; L219-C246 HydrophobicContact CD2-CB 4.19Å; L219-L251 HydrophobicContact CD2-CB 3.9Å; L219-N252 VanDerWaalsContact CB-O 3.28Å; L219-N252 WeakPolarHBondContact CB-O 3.44Å; L219-N252 PolarHBondContact N-O 3.05Å; L219-N252 VanDerWaalsContact N-O 3.07Å; L219-F253 HydrophobicContact CB-CB 4.12Å; L219-F253 HydrophobicContact CB-CD2 3.97Å; L219-F253 HydrophobicContact CD2-CD2 3.63Å; L219-F253 HydrophobicContact CD2-CE2 3.96Å; L219-F253 HydrophobicContact CG-CD2 4.28Å
220A93.3Very high93.6Very high31 Ų3134.4 Ų34.426%0.25617%0.165SC..Hα-helixtrans-59.5-41.3179.200000111.7N218 R224 V243N218-A220 VanDerWaalsContact C-N 3.29Å; N218-A220 PolarHBondContact O-N 3.18Å; N218-A220 WeakPolarHBondContact OD1-CB 3.42Å; N218-A220 PolarHBondContact OD1-N 3.23Å; A220-R224 WeakPolarHBondContact O-CB 3.38Å; A220-R224 PolarHBondContact O-N 3.11Å; A220-V243 HydrophobicContact CB-CG1 3.71Å
221E94Very high93.2Very high27 Ų2739 Ų3913%0.12619%0.188CC..Hα-helixtrans-71.3-38.3174.7-79.8-177-121.500112.9N217 N218 L219 V223 R224 H225 L281 K284N217-E221 PolarHBondContact ND2-OE1 2.95Å; N218-E221 PolarHBondContact ND2-OE1 3.1Å; N218-E221 PolarHBondContact O-N 3.24Å; N218-E221 PolarHBondContact OD1-N 2.9Å; L219-E221 VanDerWaalsContact C-N 3.3Å; L219-E221 PolarHBondContact O-N 3.45Å; E221-V223 VanDerWaalsContact C-N 3.33Å; E221-V223 PolarHBondContact O-N 3.4Å; E221-R224 PolarHBondContact O-N 3.32Å; E221-H225 WeakPolarHBondContact O-CB 3.38Å; E221-H225 PolarHBondContact O-CD2 3.26Å; E221-H225 PolarHBondContact O-N 3.36Å; E221-L281 HydrophobicContact CB-CD1 4.37Å; E221-L281 HydrophobicContact CB-CD2 3.91Å; E221-L281 WeakPolarHBondContact OE2-CD2 3.45Å; E221-K284 IonicContact OE1-NZ 3.63Å; E221-K284 PolarHBondContact OE1-NZ 3.48Å; E221-K284 IonicContact OE2-NZ 2.74Å; E221-K284 PolarHBondContact OE2-NZ 3.29Å
222V93.5Very high92.8Very high13 Ų1339.4 Ų39.48%0.07919%0.19CC..Hα-helixtrans-56.6-49.7171.9174.50000110.4F216 N218 L219 R224 H225 H226 I277 L281F216-V222 HydrophobicContact CB-CG2 3.45Å; F216-V222 VanDerWaalsContact CB-CG2 3.45Å; F216-V222 HydrophobicContact CD1-CG2 3.99Å; F216-V222 HydrophobicContact CD2-CG2 3.51Å; F216-V222 HydrophobicContact CE2-CG2 4.24Å; F216-V222 HydrophobicContact CG-CG2 3.36Å; N218-V222 PolarHBondContact O-N 2.67Å; L219-V222 HydrophobicContact CD1-CB 4.25Å; L219-V222 HydrophobicContact CD1-CG1 4.43Å; L219-V222 WeakPolarHBondContact O-CB 3.46Å; L219-V222 PolarHBondContact O-N 2.96Å; V222-R224 PolarHBondContact O-N 2.88Å; V222-H225 CarbonylContact O-C 3.57Å; V222-H225 PolarHBondContact O-N 3.28Å; V222-H226 WeakPolarHBondContact O-CA 3.44Å; V222-H226 WeakPolarHBondContact O-CB 3.21Å; V222-H226 PolarHBondContact O-N 3.38Å; V222-I277 HydrophobicContact CB-CD1 4.42Å; V222-I277 HydrophobicContact CG1-CD1 3.65Å; V222-I277 HydrophobicContact CG2-CD1 3.85Å; V222-L281 HydrophobicContact CG2-CD1 4.08Å
223V91.9Very high92.5Very high12 Ų1243.4 Ų43.47%0.07321%0.205CC..Hα-helixtrans-63-43.9179.1171.40000111.2I38 L219 E221 H225 H226 T229 I242 V243I38-V223 HydrophobicContact CD1-CG2 4.24Å; L219-V223 HydrophobicContact CD1-CG2 4.27Å; L219-V223 HydrophobicContact CG-CG2 4.15Å; L219-V223 WeakPolarHBondContact O-CG2 3.18Å; L219-V223 PolarHBondContact O-N 2.98Å; E221-V223 VanDerWaalsContact C-N 3.33Å; E221-V223 PolarHBondContact O-N 3.4Å; V223-H225 VanDerWaalsContact C-N 3.25Å; V223-H225 PolarHBondContact O-N 2.69Å; V223-H226 PolarHBondContact O-N 3.37Å; V223-T229 HydrophobicContact CG1-CG2 4.2Å; V223-T229 WeakPolarHBondContact O-CB 3.49Å; V223-T229 WeakPolarHBondContact O-CG2 3.29Å; V223-T229 PolarHBondContact O-OG1 3.22Å; V223-I242 HydrophobicContact CG1-CG2 3.71Å; V223-V243 HydrophobicContact CG1-CG2 4.42Å
224R92.5Very high92.1Very high73 Ų7351.6 Ų51.628%0.27524%0.235SC..Hα-helixtrans-58.7-37.9176.2-175.4176.8-68.1106.3-3111.9A220 E221 V222 T229 R233 F238 E239 V243A220-R224 WeakPolarHBondContact O-CB 3.38Å; A220-R224 PolarHBondContact O-N 3.11Å; E221-R224 PolarHBondContact O-N 3.32Å; V222-R224 PolarHBondContact O-N 2.88Å; R224-T229 PolarHBondContact O-OG1 3.34Å; R224-R233 PolarHBondContact O-NE 3.14Å; R224-R233 PolarHBondContact O-NH2 3.4Å; R224-R233 VanDerWaalsContact O-NH2 3.11Å; R224-F238 HydrophobicContact CG-CE1 4.27Å; R224-E239 IonicContact CZ-OE1 3.52Å; R224-E239 IonicContact CZ-OE2 3.32Å; R224-E239 IonicContact NE-OE1 3.6Å; R224-E239 PolarHBondContact NE-OE1 3.27Å; R224-E239 IonicContact NE-OE2 2.75Å; R224-E239 IonicContact NH2-OE1 2.73Å; R224-E239 PolarHBondContact NH2-OE1 3.21Å; R224-E239 IonicContact NH2-OE2 3.07Å; R224-E239 PolarHBondContact NH2-OE2 3.12Å; R224-V243 HydrophobicContact CB-CG2 4.29Å
225H91Very high91.9Very high66 Ų6651.6 Ų51.631%0.30624%0.235SC..Hα-helixtrans-95.8-5.7-177.9-70.3-77.1000115.1E221 V222 V223 R233 P278 H280E221-H225 WeakPolarHBondContact O-CB 3.38Å; E221-H225 PolarHBondContact O-CD2 3.26Å; E221-H225 PolarHBondContact O-N 3.36Å; V222-H225 CarbonylContact O-C 3.57Å; V222-H225 PolarHBondContact O-N 3.28Å; V223-H225 VanDerWaalsContact C-N 3.25Å; V223-H225 PolarHBondContact O-N 2.69Å; H225-R233 VanDerWaalsContact CA-NH2 3.32Å; H225-R233 PolarHBondContact O-NH2 3.08Å; H225-P278 HydrophobicContact CB-CG 3.81Å; H225-H280 AromaticContact CE1-NE2 3.94Å; H225-H280 AromaticContact NE2-NE2 3.89Å
226H87.7Confident91.5Very high42 Ų4256.9 Ų56.919%0.19427%0.269CS..  trans-61.3137.3-177.9-160.3-84.6000112.5V222 V223 F228 T229 R233V222-H226 WeakPolarHBondContact O-CA 3.44Å; V222-H226 WeakPolarHBondContact O-CB 3.21Å; V222-H226 PolarHBondContact O-N 3.38Å; V223-H226 PolarHBondContact O-N 3.37Å; H226-F228 VanDerWaalsContact C-N 3.29Å; H226-F228 AromaticContact CE1-CD2 3.12Å; H226-F228 WeakPolarHBondContact CE1-CD2 3.36Å; H226-F228 AromaticContact CE1-CE2 3.66Å; H226-F228 AromaticContact CE1-CG 3.97Å; H226-F228 AromaticContact ND1-CD2 3.4Å; H226-F228 WeakPolarHBondContact ND1-CD2 3.25Å; H226-F228 AromaticContact ND1-CG 3.85Å; H226-F228 PolarHBondContact ND1-N 3.21Å; H226-F228 PolarHBondContact O-N 3Å; H226-T229 HydrophobicContact CB-CG2 4.3Å; H226-T229 PolarHBondContact O-N 3.01Å; H226-T229 PolarHBondContact O-OG1 2.83Å; H226-R233 PolarHBondContact O-NH2 3.37Å
227P85.4Confident91.2Very high73 Ų7362.4 Ų62.447%0.47429%0.29SS..G310 helixtrans-53.9-40.6179.9-29.635.5000114.3T229 Y230P227-T229 PolarHBondContact O-N 3.28Å; P227-Y230 WeakPolarHBondContact O-CB 3.49Å; P227-Y230 PolarHBondContact O-N 2.91Å; P227-Y230 VanDerWaalsContact O-N 3.12Å
228F83.9Confident91Very high159 Ų15962.9 Ų62.970%0.69729%0.292SS*.G310 helixtrans-61.7-26.5177.4-68.2-54.7000114.4H226H226-F228 VanDerWaalsContact C-N 3.29Å; H226-F228 AromaticContact CE1-CD2 3.12Å; H226-F228 WeakPolarHBondContact CE1-CD2 3.36Å; H226-F228 AromaticContact CE1-CE2 3.66Å; H226-F228 AromaticContact CE1-CG 3.97Å; H226-F228 AromaticContact ND1-CD2 3.4Å; H226-F228 WeakPolarHBondContact ND1-CD2 3.25Å; H226-F228 AromaticContact ND1-CG 3.85Å; H226-F228 PolarHBondContact ND1-N 3.21Å; H226-F228 PolarHBondContact O-N 3Å
229T88.6Confident90.8Very high14 Ų1464.9 Ų64.99%0.08630%0.301CS..G310 helixtrans-84.1-15.9179.564.70000112.3V223 R224 H226 P227 M231 F232 R233 I242V223-T229 HydrophobicContact CG1-CG2 4.2Å; V223-T229 WeakPolarHBondContact O-CB 3.49Å; V223-T229 WeakPolarHBondContact O-CG2 3.29Å; V223-T229 PolarHBondContact O-OG1 3.22Å; R224-T229 PolarHBondContact O-OG1 3.34Å; H226-T229 HydrophobicContact CB-CG2 4.3Å; H226-T229 PolarHBondContact O-N 3.01Å; H226-T229 PolarHBondContact O-OG1 2.83Å; P227-T229 PolarHBondContact O-N 3.28Å; T229-M231 VanDerWaalsContact C-N 3.26Å; T229-M231 PolarHBondContact O-N 3.34Å; T229-F232 WeakPolarHBondContact O-CA 3.35Å; T229-F232 PolarHBondContact O-N 3.19Å; T229-R233 WeakPolarHBondContact O-CG 3.32Å; T229-R233 PolarHBondContact O-N 3.24Å; T229-R233 PolarHBondContact OG1-NH2 3.3Å; T229-I242 HydrophobicContact CG2-CG2 3.71Å
230Y88.6Confident90.7Very high171 Ų17168.6 Ų68.667%0.67132%0.318SS*.G310 helixtrans-49.6-46-177.7-179.2-98000112.6P227 F232 R233P227-Y230 WeakPolarHBondContact O-CB 3.49Å; P227-Y230 PolarHBondContact O-N 2.91Å; P227-Y230 VanDerWaalsContact O-N 3.12Å; Y230-F232 PolarHBondContact O-N 3.4Å; Y230-R233 PolarHBondContact O-N 2.92Å
231M89.2Confident90.5Very high96 Ų9667.8 Ų67.847%0.47331%0.31SS..G310 helixtrans-62.5-28.1-179.863-164.9-179.400113Y20 T229 W234Y20-M231 HydrophobicContact CE2-CB 4.4Å; Y20-M231 HydrophobicContact CE2-CG 4.22Å; Y20-M231 PolarHBondContact OH-O 3.43Å; T229-M231 VanDerWaalsContact C-N 3.26Å; T229-M231 PolarHBondContact O-N 3.34Å; M231-W234 PolarHBondContact O-NE1 2.81Å
232F91.4Very high90.2Very high10 Ų1067 Ų674%0.04431%0.306CS..G310 helixtrans-94.7-11.8-177-57.5-65.7000114.7Y20 I23 P24 T229 Y230 W234 L235 F238 I242Y20-F232 HydrophobicContact CD2-CD1 4.26Å; Y20-F232 AromaticContact CD2-CE1 3.61Å; Y20-F232 HydrophobicContact CD2-CE1 3.61Å; Y20-F232 HydrophobicContact CD2-CZ 4.4Å; Y20-F232 HydrophobicContact CE1-CD1 4.3Å; Y20-F232 HydrophobicContact CE1-CE1 4.44Å; Y20-F232 AromaticContact CE2-CD1 3.53Å; Y20-F232 HydrophobicContact CE2-CD1 3.53Å; Y20-F232 AromaticContact CE2-CE1 3.31Å; Y20-F232 HydrophobicContact CE2-CE1 3.31Å; Y20-F232 HydrophobicContact CE2-CZ 4.24Å; Y20-F232 HydrophobicContact CG-CE1 4.29Å; Y20-F232 AromaticContact CZ-CD1 3.54Å; Y20-F232 AromaticContact CZ-CE1 3.76Å; Y20-F232 WeakPolarHBondContact O-CE1 3.43Å; I23-F232 HydrophobicContact CB-CE1 4.4Å; I23-F232 HydrophobicContact CB-CZ 4Å; I23-F232 HydrophobicContact CD1-CZ 4.23Å; I23-F232 HydrophobicContact CG2-CE1 4.45Å; I23-F232 HydrophobicContact CG2-CE2 4.14Å; I23-F232 HydrophobicContact CG2-CZ 3.66Å; P24-F232 HydrophobicContact CG-CD1 3.72Å; P24-F232 HydrophobicContact CG-CE1 3.93Å; P24-F232 HydrophobicContact CG-CG 4.22Å; T229-F232 WeakPolarHBondContact O-CA 3.35Å; T229-F232 PolarHBondContact O-N 3.19Å; Y230-F232 PolarHBondContact O-N 3.4Å; F232-W234 PolarHBondContact O-N 2.9Å; F232-W234 VanDerWaalsContact O-N 3.09Å; F232-L235 HydrophobicContact CB-CD1 4.17Å; F232-L235 HydrophobicContact CD1-CD1 3.98Å; F232-L235 VanDerWaalsContact O-CB 3.3Å; F232-L235 WeakPolarHBondContact O-CB 3.4Å; F232-L235 WeakPolarHBondContact O-CG 3.08Å; F232-L235 PolarHBondContact O-N 2.87Å; F232-F238 HydrophobicContact CB-CD2 3.94Å; F232-F238 HydrophobicContact CB-CE2 4.18Å; F232-F238 WeakPolarHBondContact O-CD2 3.12Å; F232-I242 HydrophobicContact CB-CD1 3.45Å; F232-I242 VanDerWaalsContact CB-CD1 3.45Å; F232-I242 HydrophobicContact CD2-CD1 3.71Å; F232-I242 HydrophobicContact CG-CD1 3.7Å
233R91.9Very high90.1Very high84 Ų8466.7 Ų66.732%0.31730%0.304SS..THydrogen-bonded Turntrans-60.7-23.2-171.9-71.6177.9-163.9167.18.2114.8R224 H225 H226 T229 Y230 L235 F238R224-R233 PolarHBondContact O-NE 3.14Å; R224-R233 PolarHBondContact O-NH2 3.4Å; R224-R233 VanDerWaalsContact O-NH2 3.11Å; H225-R233 VanDerWaalsContact CA-NH2 3.32Å; H225-R233 PolarHBondContact O-NH2 3.08Å; H226-R233 PolarHBondContact O-NH2 3.37Å; T229-R233 WeakPolarHBondContact O-CG 3.32Å; T229-R233 PolarHBondContact O-N 3.24Å; T229-R233 PolarHBondContact OG1-NH2 3.3Å; Y230-R233 PolarHBondContact O-N 2.92Å; R233-L235 VanDerWaalsContact C-N 3.29Å; R233-F238 HydrophobicContact CG-CD2 4.41Å; R233-F238 HydrophobicContact CG-CE1 4.12Å; R233-F238 HydrophobicContact CG-CE2 3.92Å; R233-F238 HydrophobicContact CG-CZ 3.76Å
234W91.4Very high89.9Confident175 Ų17571.1 Ų71.166%0.66332%0.324SS*.THydrogen-bonded Turntrans-79.3-1117866.9-90.8000113.3Y20 M231 F232Y20-W234 AromaticContact CE1-CZ2 3.8Å; Y20-W234 HydrophobicContact CE1-CZ2 3.8Å; Y20-W234 PolarHBondContact OH-NE1 3.16Å; M231-W234 PolarHBondContact O-NE1 2.81Å; F232-W234 PolarHBondContact O-N 2.9Å; F232-W234 VanDerWaalsContact O-N 3.09Å
235L91.9Very high89.5Confident6 Ų667.6 Ų67.63%0.03131%0.311CS..SBendtrans-70.9131.7178.6-64.6174.6000110.4Y20 L21 P24 F232 R233 W237 F238Y20-L235 HydrophobicContact CE1-CD1 4.34Å; Y20-L235 HydrophobicContact CE1-CD2 4.39Å; L21-L235 HydrophobicContact CD2-CD2 3.95Å; P24-L235 HydrophobicContact CG-CD1 3.97Å; F232-L235 HydrophobicContact CB-CD1 4.17Å; F232-L235 HydrophobicContact CD1-CD1 3.98Å; F232-L235 VanDerWaalsContact O-CB 3.3Å; F232-L235 WeakPolarHBondContact O-CB 3.4Å; F232-L235 WeakPolarHBondContact O-CG 3.08Å; F232-L235 PolarHBondContact O-N 2.87Å; R233-L235 VanDerWaalsContact C-N 3.29Å; L235-W237 HydrophobicContact CD2-CZ2 4.32Å; L235-W237 PolarHBondContact O-N 3.35Å; L235-W237 VanDerWaalsContact O-N 3.07Å; L235-F238 HydrophobicContact CB-CB 4.47Å; L235-F238 WeakPolarHBondContact O-CB 3.23Å; L235-F238 PolarHBondContact O-N 3.22Å
236P91.7Very high89.2Confident111 Ų11164.5 Ų64.572%0.72130%0.297SS*.THydrogen-bonded Turntrans-58.9-25180-26.334.5000114.7
237W91.5Very high89Confident121 Ų12164.8 Ų64.846%0.45831%0.306SS..THydrogen-bonded Turntrans-99.81317953.470.5000113.7L21 L235 E239 Q240 T241L21-W237 HydrophobicContact CD2-CZ2 4.17Å; L235-W237 HydrophobicContact CD2-CZ2 4.32Å; L235-W237 PolarHBondContact O-N 3.35Å; L235-W237 VanDerWaalsContact O-N 3.07Å; W237-E239 VanDerWaalsContact C-N 3.34Å; W237-E239 PolarHBondContact O-N 3.32Å; W237-Q240 VanDerWaalsContact C-OE1 3.3Å; W237-Q240 VanDerWaalsContact CA-OE1 3.23Å; W237-Q240 PolarHBondContact O-N 3.24Å; W237-Q240 PolarHBondContact O-OE1 2.85Å; W237-T241 HydrophobicContact CB-CG2 4.14Å; W237-T241 HydrophobicContact CG-CG2 4.22Å; W237-T241 WeakPolarHBondContact O-CB 3.49Å; W237-T241 WeakPolarHBondContact O-CG2 3.3Å; W237-T241 PolarHBondContact O-N 2.82Å; W237-T241 PolarHBondContact O-OG1 2.79Å
238F92.4Very high88.9Confident10 Ų1067.3 Ų67.34%0.04431%0.309CS..Hα-helixtrans-52.9-49.7-177.9172.1-101.7000112.4R224 F232 R233 L235 Q240 T241 I242 V243R224-F238 HydrophobicContact CG-CE1 4.27Å; F232-F238 HydrophobicContact CB-CD2 3.94Å; F232-F238 HydrophobicContact CB-CE2 4.18Å; F232-F238 WeakPolarHBondContact O-CD2 3.12Å; R233-F238 HydrophobicContact CG-CD2 4.41Å; R233-F238 HydrophobicContact CG-CE1 4.12Å; R233-F238 HydrophobicContact CG-CE2 3.92Å; R233-F238 HydrophobicContact CG-CZ 3.76Å; L235-F238 HydrophobicContact CB-CB 4.47Å; L235-F238 WeakPolarHBondContact O-CB 3.23Å; L235-F238 PolarHBondContact O-N 3.22Å; F238-Q240 PolarHBondContact O-N 2.91Å; F238-T241 PolarHBondContact O-N 2.99Å; F238-I242 HydrophobicContact CD2-CB 4.12Å; F238-I242 HydrophobicContact CD2-CD1 3.73Å; F238-I242 HydrophobicContact CD2-CG1 4.23Å; F238-I242 HydrophobicContact CE2-CB 3.93Å; F238-I242 HydrophobicContact CE2-CD1 3.73Å; F238-I242 HydrophobicContact CE2-CG1 4.31Å; F238-I242 HydrophobicContact CE2-CG2 3.88Å; F238-I242 HydrophobicContact CZ-CB 4.47Å; F238-I242 HydrophobicContact CZ-CG2 4.24Å; F238-I242 WeakPolarHBondContact O-CB 3.33Å; F238-I242 PolarHBondContact O-N 2.84Å; F238-V243 HydrophobicContact CD1-CG2 4.27Å; F238-V243 HydrophobicContact CE1-CG2 3.63Å; F238-V243 HydrophobicContact CZ-CG2 4.06Å
239E91.9Very high88.9Confident61 Ų6160.6 Ų60.629%0.28528%0.281SS..Iπ-helixtrans-59.6-48.3-179.8-73.1-64.8154.500111.5R224 W237 T241 V243 Q244R224-E239 IonicContact CZ-OE1 3.52Å; R224-E239 IonicContact CZ-OE2 3.32Å; R224-E239 IonicContact NE-OE1 3.6Å; R224-E239 PolarHBondContact NE-OE1 3.27Å; R224-E239 IonicContact NE-OE2 2.75Å; R224-E239 IonicContact NH2-OE1 2.73Å; R224-E239 PolarHBondContact NH2-OE1 3.21Å; R224-E239 IonicContact NH2-OE2 3.07Å; R224-E239 PolarHBondContact NH2-OE2 3.12Å; W237-E239 VanDerWaalsContact C-N 3.34Å; W237-E239 PolarHBondContact O-N 3.32Å; E239-T241 VanDerWaalsContact C-N 3.34Å; E239-T241 PolarHBondContact O-N 3.34Å; E239-V243 PolarHBondContact O-N 3.02Å; E239-V243 WeakPolarHBondContact OE2-CB 3.35Å; E239-Q244 WeakPolarHBondContact O-CB 3.1Å; E239-Q244 WeakPolarHBondContact O-CG 3.45Å; E239-Q244 PolarHBondContact O-N 3.11Å
240Q90.8Very high88.7Confident86 Ų8665.3 Ų65.340%0.40231%0.306SS..Iπ-helixtrans-68.3-33.9-177.1-62.681.3-2.900112.3Y28 W237 F238 P245Y28-Q240 WeakPolarHBondContact CD2-O 3.43Å; Y28-Q240 WeakPolarHBondContact CE2-O 3.46Å; W237-Q240 VanDerWaalsContact C-OE1 3.3Å; W237-Q240 VanDerWaalsContact CA-OE1 3.23Å; W237-Q240 PolarHBondContact O-N 3.24Å; W237-Q240 PolarHBondContact O-OE1 2.85Å; F238-Q240 PolarHBondContact O-N 2.91Å; Q240-P245 WeakPolarHBondContact O-CD 3.37Å
241T89.3Confident88.7Confident14 Ų1457.2 Ų57.29%0.08627%0.274CS..Iπ-helixtrans-102.2-17.7-170.558.40000115P24 F27 W237 F238 E239 P245P24-T241 WeakPolarHBondContact CB-OG1 3.34Å; P24-T241 VanDerWaalsContact O-O 3.14Å; F27-T241 WeakPolarHBondContact CD1-O 3.49Å; W237-T241 HydrophobicContact CB-CG2 4.14Å; W237-T241 HydrophobicContact CG-CG2 4.22Å; W237-T241 WeakPolarHBondContact O-CB 3.49Å; W237-T241 WeakPolarHBondContact O-CG2 3.3Å; W237-T241 PolarHBondContact O-N 2.82Å; W237-T241 PolarHBondContact O-OG1 2.79Å; F238-T241 PolarHBondContact O-N 2.99Å; E239-T241 VanDerWaalsContact C-N 3.34Å; E239-T241 PolarHBondContact O-N 3.34Å; T241-P245 WeakPolarHBondContact O-CG 3.26Å
242I88.8Confident88.7Confident11 Ų1154.9 Ų54.96%0.05626%0.264CS..Iπ-helixtrans-121.5-42.4-178.4-61.9-170.6000111.8P24 F27 V223 T229 F232 F238P24-I242 HydrophobicContact CB-CD1 4.07Å; P24-I242 HydrophobicContact CB-CG1 3.93Å; P24-I242 HydrophobicContact CG-CD1 4.09Å; F27-I242 WeakPolarHBondContact CE1-O 3.47Å; V223-I242 HydrophobicContact CG1-CG2 3.71Å; T229-I242 HydrophobicContact CG2-CG2 3.71Å; F232-I242 HydrophobicContact CB-CD1 3.45Å; F232-I242 VanDerWaalsContact CB-CD1 3.45Å; F232-I242 HydrophobicContact CD2-CD1 3.71Å; F232-I242 HydrophobicContact CG-CD1 3.7Å; F238-I242 HydrophobicContact CD2-CB 4.12Å; F238-I242 HydrophobicContact CD2-CD1 3.73Å; F238-I242 HydrophobicContact CD2-CG1 4.23Å; F238-I242 HydrophobicContact CE2-CB 3.93Å; F238-I242 HydrophobicContact CE2-CD1 3.73Å; F238-I242 HydrophobicContact CE2-CG1 4.31Å; F238-I242 HydrophobicContact CE2-CG2 3.88Å; F238-I242 HydrophobicContact CZ-CB 4.47Å; F238-I242 HydrophobicContact CZ-CG2 4.24Å; F238-I242 WeakPolarHBondContact O-CB 3.33Å; F238-I242 PolarHBondContact O-N 2.84Å
243V89.8Confident88.8Confident5 Ų554.5 Ų54.53%0.0326%0.262CS..Iπ-helixtrans-86.3-56.4-175.7-176.80000111.5A220 V223 R224 F238 E239 P245 C246A220-V243 HydrophobicContact CB-CG1 3.71Å; V223-V243 HydrophobicContact CG1-CG2 4.42Å; R224-V243 HydrophobicContact CB-CG2 4.29Å; F238-V243 HydrophobicContact CD1-CG2 4.27Å; F238-V243 HydrophobicContact CE1-CG2 3.63Å; F238-V243 HydrophobicContact CZ-CG2 4.06Å; E239-V243 PolarHBondContact O-N 3.02Å; E239-V243 WeakPolarHBondContact OE2-CB 3.35Å; V243-P245 VanDerWaalsContact C-N 3.35Å; V243-C246 PolarHBondContact O-N 3.22Å
244Q88.3Confident88.9Confident105 Ų10552.8 Ų52.849%0.49126%0.259SS..Hα-helixtrans-59.3-31.2-177.7-71.3-177.6-100115.1E239 C246 A247 K248E239-Q244 WeakPolarHBondContact O-CB 3.1Å; E239-Q244 WeakPolarHBondContact O-CG 3.45Å; E239-Q244 PolarHBondContact O-N 3.11Å; Q244-C246 PolarHBondContact O-N 3.17Å; Q244-A247 PolarHBondContact O-N 3.19Å; Q244-A247 VanDerWaalsContact O-N 3.16Å; Q244-K248 WeakPolarHBondContact O-CB 3.31Å; Q244-K248 PolarHBondContact O-N 3.07Å
245P85.3Confident89.2Confident0 Ų044.5 Ų44.50%023%0.227CC..Hα-helixtrans-59-30.8176.5-29.840.1000113.6F27 Y28 Q240 T241 V243 K248 N249F27-P245 HydrophobicContact CD1-CB 3.98Å; F27-P245 HydrophobicContact CD1-CG 4.1Å; F27-P245 HydrophobicContact CE1-CB 3.88Å; F27-P245 HydrophobicContact CE1-CG 4.3Å; Y28-P245 HydrophobicContact CD2-CG 3.78Å; Y28-P245 HydrophobicContact CG-CG 4.5Å; Q240-P245 WeakPolarHBondContact O-CD 3.37Å; T241-P245 WeakPolarHBondContact O-CG 3.26Å; V243-P245 VanDerWaalsContact C-N 3.35Å; P245-K248 PolarHBondContact O-N 3.21Å; P245-N249 WeakPolarHBondContact O-CB 3.11Å; P245-N249 PolarHBondContact O-N 3Å; P245-N249 PolarHBondContact O-ND2 3.29Å
246C83.7Confident89.5Confident1 Ų145 Ų451%0.00723%0.23CC..Hα-helixtrans-61.2-50.9176-61.30000110.2L219 V243 Q244 K248 N249 D250 L251L219-C246 HydrophobicContact CD2-CB 4.19Å; V243-C246 PolarHBondContact O-N 3.22Å; Q244-C246 PolarHBondContact O-N 3.17Å; C246-K248 PolarHBondContact O-N 3.38Å; C246-N249 CarbonylContact O-C 3.55Å; C246-N249 PolarHBondContact O-N 2.87Å; C246-D250 PolarHBondContact O-N 3.49Å; C246-L251 CarbonylContact C-O 3.59Å; C246-L251 HydrophobicContact CB-CB 4.38Å; C246-L251 WeakPolarHBondContact CB-O 3.47Å; C246-L251 CarbonylContact O-C 3.59Å; C246-L251 WeakPolarHBondContact O-CA 3.35Å; C246-L251 WeakPolarHBondContact O-CB 3.43Å; C246-L251 PolarHBondContact O-N 3.38Å
247A83.4Confident89.7Confident47 Ų4744.8 Ų44.839%0.38822%0.222SC..Hα-helixtrans-63.4-41176.300000112.8Q244 N249 D250 N252Q244-A247 PolarHBondContact O-N 3.19Å; Q244-A247 VanDerWaalsContact O-N 3.16Å; A247-N249 PolarHBondContact O-N 3.29Å; A247-D250 PolarHBondContact O-N 3.37Å; A247-N252 VanDerWaalsContact CA-OD1 3.27Å; A247-N252 WeakPolarHBondContact CA-OD1 3.49Å; A247-N252 VanDerWaalsContact CB-OD1 3.3Å; A247-N252 WeakPolarHBondContact CB-OD1 3.46Å
248K83.7Confident90Very high126 Ų12640.6 Ų40.655%0.54821%0.207SC..Hα-helixtrans-61.6-29.4176.8-176.8-178.3174-172.80112.8Q244 P245 C246Q244-K248 WeakPolarHBondContact O-CB 3.31Å; Q244-K248 PolarHBondContact O-N 3.07Å; P245-K248 PolarHBondContact O-N 3.21Å; C246-K248 PolarHBondContact O-N 3.38Å
249N83.4Confident90.3Very high18 Ų1840.1 Ų40.110%0.09621%0.205CC..THydrogen-bonded Turntrans-101.523.1-176.8-60.5-26.7000112.2P31 S34 H35 P245 C246 A247 L251P31-N249 WeakPolarHBondContact CA-ND2 3.5Å; P31-N249 HydrophobicContact CB-CB 4.4Å; P31-N249 WeakPolarHBondContact CG-OD1 3.49Å; S34-N249 PolarHBondContact OG-ND2 3.17Å; H35-N249 PolarHBondContact NE2-O 3.42Å; P245-N249 WeakPolarHBondContact O-CB 3.11Å; P245-N249 PolarHBondContact O-N 3Å; P245-N249 PolarHBondContact O-ND2 3.29Å; C246-N249 CarbonylContact O-C 3.55Å; C246-N249 PolarHBondContact O-N 2.87Å; A247-N249 PolarHBondContact O-N 3.29Å; N249-L251 PolarHBondContact O-N 3.34Å
250D84.3Confident90.6Very high114 Ų11442.1 Ų42.161%0.6121%0.209SC*.THydrogen-bonded Turntrans56.433.9179.5-55.6-49000113.8E157 C246 A247E157-D250 WeakPolarHBondContact CB-O 3.25Å; C246-D250 PolarHBondContact O-N 3.49Å; A247-D250 PolarHBondContact O-N 3.37Å
251L88.3Confident90.8Very high1 Ų142.3 Ų42.31%0.00521%0.21CC..  trans-113.380172.5-59.8173.6000108.2I38 F39 E157 L219 C246 N249 F253I38-L251 HydrophobicContact CB-CD1 4.27Å; I38-L251 HydrophobicContact CG1-CD1 4.01Å; F39-L251 HydrophobicContact CE2-CD2 3.65Å; F39-L251 HydrophobicContact CZ-CD2 3.65Å; E157-L251 HydrophobicContact CB-CD2 4.46Å; L219-L251 HydrophobicContact CD2-CB 3.9Å; C246-L251 CarbonylContact C-O 3.59Å; C246-L251 HydrophobicContact CB-CB 4.38Å; C246-L251 WeakPolarHBondContact CB-O 3.47Å; C246-L251 CarbonylContact O-C 3.59Å; C246-L251 WeakPolarHBondContact O-CA 3.35Å; C246-L251 WeakPolarHBondContact O-CB 3.43Å; C246-L251 PolarHBondContact O-N 3.38Å; N249-L251 PolarHBondContact O-N 3.34Å; L251-F253 HydrophobicContact CB-CE2 4.24Å; L251-F253 HydrophobicContact CD2-CE2 4.03Å; L251-F253 HydrophobicContact CD2-CZ 4.48Å
252N89Confident91.2Very high47 Ų4741.9 Ų41.925%0.25121%0.207SC..  trans-100.8-49.4-176.2-69.3-66.5000111.3E157 L219 A247 N254E157-N252 PolarHBondContact OE2-N 3.21Å; L219-N252 VanDerWaalsContact CB-O 3.28Å; L219-N252 WeakPolarHBondContact CB-O 3.44Å; L219-N252 PolarHBondContact N-O 3.05Å; L219-N252 VanDerWaalsContact N-O 3.07Å; A247-N252 VanDerWaalsContact CA-OD1 3.27Å; A247-N252 WeakPolarHBondContact CA-OD1 3.49Å; A247-N252 VanDerWaalsContact CB-OD1 3.3Å; A247-N252 WeakPolarHBondContact CB-OD1 3.46Å; N252-N254 PolarHBondContact O-N 2.9Å
253F94.1Very high91.4Very high2 Ų244 Ų441%0.00922%0.223CC..  trans45.949.5-173.4-60-84.1000112.3I38 F39 E157 L187 A190 I191 F216 N218 L219 L251 T255I38-F253 HydrophobicContact CG2-CE2 4.2Å; F39-F253 AromaticContact CE1-CZ 3.85Å; F39-F253 HydrophobicContact CE1-CZ 3.85Å; F39-F253 AromaticContact CZ-CZ 3.97Å; F39-F253 HydrophobicContact CZ-CZ 3.97Å; E157-F253 HydrophobicContact CB-CE1 4.5Å; E157-F253 HydrophobicContact CB-CZ 4.16Å; E157-F253 HydrophobicContact CG-CD1 4.3Å; E157-F253 HydrophobicContact CG-CE1 3.93Å; E157-F253 HydrophobicContact CG-CZ 4.06Å; E157-F253 PolarHBondContact OE1-N 2.8Å; E157-F253 PolarHBondContact OE2-N 2.9Å; L187-F253 HydrophobicContact CD1-CD1 3.8Å; L187-F253 HydrophobicContact CD1-CD2 4.2Å; L187-F253 HydrophobicContact CD1-CE1 3.54Å; L187-F253 HydrophobicContact CD1-CE2 3.96Å; L187-F253 HydrophobicContact CD1-CG 4.11Å; L187-F253 HydrophobicContact CD1-CZ 3.63Å; L187-F253 HydrophobicContact CG-CE1 4.2Å; L187-F253 HydrophobicContact CG-CZ 4.45Å; A190-F253 HydrophobicContact CB-CB 3.66Å; A190-F253 HydrophobicContact CB-CD1 3.69Å; A190-F253 HydrophobicContact CB-CG 4.12Å; I191-F253 HydrophobicContact CG1-CE1 4.2Å; F216-F253 HydrophobicContact CE2-CB 3.89Å; F216-F253 HydrophobicContact CZ-CB 4.14Å; N218-F253 WeakPolarHBondContact CA-O 3.32Å; L219-F253 HydrophobicContact CB-CB 4.12Å; L219-F253 HydrophobicContact CB-CD2 3.97Å; L219-F253 HydrophobicContact CD2-CD2 3.63Å; L219-F253 HydrophobicContact CD2-CE2 3.96Å; L219-F253 HydrophobicContact CG-CD2 4.28Å; L251-F253 HydrophobicContact CB-CE2 4.24Å; L251-F253 HydrophobicContact CD2-CE2 4.03Å; L251-F253 HydrophobicContact CD2-CZ 4.48Å; F253-T255 PolarHBondContact O-N 3.23Å; F253-T255 PolarHBondContact O-OG1 3.45Å
254N94.8Very high91.6Very high48 Ų4844.6 Ų44.626%0.25723%0.225SC..  trans-71.265.3-176.5-66.7-25.9000112.2N252 D256 L257 R258N252-N254 PolarHBondContact O-N 2.9Å; N254-D256 VanDerWaalsContact C-N 3.27Å; N254-D256 PolarHBondContact O-N 3.13Å; N254-L257 HydrophobicContact CB-CB 4.2Å; N254-L257 HydrophobicContact CB-CD1 3.94Å; N254-L257 HydrophobicContact CB-CG 4.1Å; N254-L257 PolarHBondContact O-N 3.17Å; N254-R258 VanDerWaalsContact O-CG 3.23Å; N254-R258 WeakPolarHBondContact O-CG 3.24Å; N254-R258 PolarHBondContact O-N 3.29Å; N254-R258 VanDerWaalsContact O-N 3.17Å
255T97.5Very high92.1Very high0 Ų040.1 Ų40.10%021%0.205CC..Hα-helixtrans-60.5-37.2-177.3-43.70000111.7A190 T193 F216 N217 F253 L257 R258 I259 L285A190-T255 WeakPolarHBondContact CA-OG1 3.49Å; A190-T255 WeakPolarHBondContact CB-OG1 3.43Å; T193-T255 HydrophobicContact CG2-CG2 3.86Å; T193-T255 WeakPolarHBondContact OG1-CG2 3.16Å; F216-T255 WeakPolarHBondContact O-CB 3.32Å; F216-T255 PolarHBondContact O-OG1 3.37Å; N217-T255 CarbonylContact O-C 3.58Å; N217-T255 WeakPolarHBondContact O-CA 3.32Å; N217-T255 WeakPolarHBondContact O-CB 3.48Å; N217-T255 PolarHBondContact O-N 2.84Å; F253-T255 PolarHBondContact O-N 3.23Å; F253-T255 PolarHBondContact O-OG1 3.45Å; T255-L257 PolarHBondContact O-N 3.17Å; T255-R258 PolarHBondContact O-N 2.84Å; T255-I259 VanDerWaalsContact O-CB 3.28Å; T255-I259 WeakPolarHBondContact O-CB 3.36Å; T255-I259 WeakPolarHBondContact O-CG2 3.5Å; T255-I259 PolarHBondContact O-N 3.04Å; T255-L285 HydrophobicContact CG2-CD1 3.79Å; T255-L285 HydrophobicContact CG2-CD2 3.6Å; T255-L285 HydrophobicContact CG2-CG 4.36Å
256D97.4Very high92.7Very high17 Ų1740.1 Ų40.19%0.09121%0.205CC..Hα-helixtrans-58-41174.543.216.4000113.9N217 N218 N254 R260 L285 E288N217-D256 HydrophobicContact CB-CB 4.08Å; N217-D256 PolarHBondContact ND2-OD2 3.22Å; N217-D256 PolarHBondContact O-N 3.12Å; N218-D256 PolarHBondContact ND2-OD2 3.05Å; N254-D256 VanDerWaalsContact C-N 3.27Å; N254-D256 PolarHBondContact O-N 3.13Å; D256-R260 WeakPolarHBondContact O-CG 3.44Å; D256-L285 HydrophobicContact CB-CD1 4.36Å; D256-E288 HydrophobicContact CB-CG 3.99Å
257L96.9Very high93.5Very high106 Ų10640.1 Ų40.156%0.55521%0.205SC*.Hα-helixtrans-72.2-39.1175.6-59.3-177000111.7N254 T255 H261N254-L257 HydrophobicContact CB-CB 4.2Å; N254-L257 HydrophobicContact CB-CD1 3.94Å; N254-L257 HydrophobicContact CB-CG 4.1Å; N254-L257 PolarHBondContact O-N 3.17Å; T255-L257 PolarHBondContact O-N 3.17Å; L257-H261 PolarHBondContact O-CD2 3.22Å; L257-H261 VanDerWaalsContact O-CD2 3.22Å
258R97.5Very high94.2Very high34 Ų3437.9 Ų37.913%0.12819%0.186CC..Hα-helixtrans-78-36.8-172.4-62.3176.9171.7148.83.8112.8E157 T193 N254 T255 R260 H261E157-R258 IonicContact OE1-CZ 3.51Å; E157-R258 VanDerWaalsContact OE1-CZ 3.27Å; E157-R258 IonicContact OE1-NH1 2.6Å; E157-R258 PolarHBondContact OE1-NH1 2.98Å; E157-R258 IonicContact OE1-NH2 3.76Å; E157-R258 PolarHBondContact OE1-NH2 3.48Å; T193-R258 HydrophobicContact CG2-CB 3.93Å; N254-R258 VanDerWaalsContact O-CG 3.23Å; N254-R258 WeakPolarHBondContact O-CG 3.24Å; N254-R258 PolarHBondContact O-N 3.29Å; N254-R258 VanDerWaalsContact O-N 3.17Å; T255-R258 PolarHBondContact O-N 2.84Å; R258-R260 PolarHBondContact O-N 3.13Å; R258-H261 PolarHBondContact O-N 2.93Å
259I98.1Very high94.9Very high0 Ų031.9 Ų31.90%016%0.16CC..Hα-helixtrans-62.6-27.7-174.3-160.1162.4000113.1T193 L212 T255 H261 V262 I266 F268 L285 E288 A289T193-I259 HydrophobicContact CG2-CB 3.84Å; T193-I259 HydrophobicContact CG2-CG1 4.21Å; L212-I259 HydrophobicContact CD1-CD1 3.94Å; T255-I259 VanDerWaalsContact O-CB 3.28Å; T255-I259 WeakPolarHBondContact O-CB 3.36Å; T255-I259 WeakPolarHBondContact O-CG2 3.5Å; T255-I259 PolarHBondContact O-N 3.04Å; I259-H261 PolarHBondContact O-N 2.96Å; I259-H261 VanDerWaalsContact O-N 3.13Å; I259-V262 PolarHBondContact O-N 2.79Å; I259-I266 HydrophobicContact CD1-CD1 4.05Å; I259-I266 HydrophobicContact CG1-CD1 3.72Å; I259-F268 HydrophobicContact CD1-CE1 4.09Å; I259-F268 HydrophobicContact CD1-CZ 3.58Å; I259-L285 HydrophobicContact CB-CD1 4.06Å; I259-L285 HydrophobicContact CD1-CD1 3.84Å; I259-L285 HydrophobicContact CD1-CD2 4.08Å; I259-L285 HydrophobicContact CD1-CG 3.78Å; I259-L285 HydrophobicContact CG2-CD1 3.66Å; I259-E288 HydrophobicContact CG2-CB 4.18Å; I259-A289 HydrophobicContact CD1-CB 3.9Å; I259-A289 HydrophobicContact CG1-CB 3.97Å; I259-A289 HydrophobicContact CG2-CB 4.26Å
260R97.6Very high95.6Very high103 Ų10331 Ų3139%0.38916%0.156SC..THydrogen-bonded Turntrans-66.3-11.1178-56.5177.967.4114.16.8113.4D256 R258 E288 A292D256-R260 WeakPolarHBondContact O-CG 3.44Å; R258-R260 PolarHBondContact O-N 3.13Å; R260-E288 IonicContact CZ-OE2 2.69Å; R260-E288 IonicContact NH1-OE2 3.83Å; R260-E288 PolarHBondContact NH1-OE2 2.89Å; R260-A292 HydrophobicContact CB-CB 3.76Å; R260-A292 HydrophobicContact CG-CB 3.94Å
261H96.5Very high96.2Very high90 Ų9025.7 Ų25.742%0.41713%0.128SC..THydrogen-bonded Turntrans-116.76.4-175.6-60.3-62.5000113.1Q197 L257 R258 I259Q197-H261 HydrophobicContact CB-CB 4.35Å; Q197-H261 HydrophobicContact CG-CB 3.7Å; L257-H261 PolarHBondContact O-CD2 3.22Å; L257-H261 VanDerWaalsContact O-CD2 3.22Å; R258-H261 PolarHBondContact O-N 2.93Å; I259-H261 PolarHBondContact O-N 2.96Å; I259-H261 VanDerWaalsContact O-N 3.13Å
262V96.2Very high96.6Very high4 Ų429.8 Ų29.82%0.02415%0.145CC..  trans-72.6155.9168.8171.30000109.3T193 L210 I259 F264 I266T193-V262 HydrophobicContact CG2-CG2 4.23Å; L210-V262 HydrophobicContact CD2-CG2 4.41Å; I259-V262 PolarHBondContact O-N 2.79Å; V262-F264 HydrophobicContact CB-CE2 4.49Å; V262-F264 HydrophobicContact CG1-CD1 4.31Å; V262-F264 HydrophobicContact CG1-CD2 3.48Å; V262-F264 VanDerWaalsContact CG1-CD2 3.48Å; V262-F264 HydrophobicContact CG1-CE1 4.07Å; V262-F264 HydrophobicContact CG1-CE2 3.14Å; V262-F264 HydrophobicContact CG1-CG 4.06Å; V262-F264 HydrophobicContact CG1-CZ 3.51Å; V262-I266 HydrophobicContact CB-CD1 4.37Å; V262-I266 HydrophobicContact CG1-CD1 4.15Å; V262-I266 HydrophobicContact CG1-CG1 4.3Å
263C93.5Very high96.9Very high57 Ų5728.3 Ų28.339%0.38514%0.137SC..  trans-132.618.3-170.4640000113.9C200C200-C263 HydrophobicContact CB-CB 3.86Å; C200-C263 WeakPolarHBondContact CB-SG 3.19Å; C200-C263 WeakPolarHBondContact SG-CB 3.37Å; C200-C263 PolarHBondContact SG-N 2.86Å; C200-C263 CovalentContact SG-SG 2.04Å; C200-C263 PolarHBondContact SG-SG 3.27Å
264F95.4Very high96.9Very high16 Ų1628.8 Ų28.87%0.0714%0.14CC..SBendtrans-142.1163.5-178.742.7-105.7000110.4L182 C200 P207 L210 V262L182-F264 HydrophobicContact CD1-CZ 4.4Å; C200-F264 VanDerWaalsContact SG-CE1 3.55Å; P207-F264 HydrophobicContact CB-CD1 4.09Å; P207-F264 HydrophobicContact CB-CE1 3.84Å; P207-F264 HydrophobicContact CB-CZ 4.07Å; P207-F264 VanDerWaalsContact CD-CE1 3.49Å; P207-F264 HydrophobicContact CG-CD1 4.23Å; P207-F264 HydrophobicContact CG-CE1 3.57Å; P207-F264 HydrophobicContact CG-CZ 3.89Å; P207-F264 VanDerWaalsContact O-CD1 3.22Å; P207-F264 WeakPolarHBondContact O-CD1 3.44Å; P207-F264 WeakPolarHBondContact O-CG 3.26Å; L210-F264 HydrophobicContact CB-CD2 3.97Å; L210-F264 HydrophobicContact CB-CE2 3.42Å; L210-F264 VanDerWaalsContact CB-CE2 3.42Å; L210-F264 HydrophobicContact CB-CZ 4.49Å; L210-F264 HydrophobicContact CD2-CE2 4.24Å; L210-F264 HydrophobicContact CG-CE2 4.42Å; V262-F264 HydrophobicContact CB-CE2 4.49Å; V262-F264 HydrophobicContact CG1-CD1 4.31Å; V262-F264 HydrophobicContact CG1-CD2 3.48Å; V262-F264 VanDerWaalsContact CG1-CD2 3.48Å; V262-F264 HydrophobicContact CG1-CE1 4.07Å; V262-F264 HydrophobicContact CG1-CE2 3.14Å; V262-F264 HydrophobicContact CG1-CG 4.06Å; V262-F264 HydrophobicContact CG1-CZ 3.51Å
265P97.8Very high96.8Very high11 Ų1135.7 Ų35.77%0.07116%0.162CC..  trans-56.2146.4-178.6-26.334.9000113.9G209 L210 F325 Q332G209-P265 WeakPolarHBondContact CA-O 3.37Å; L210-P265 PolarHBondContact N-O 2.74Å; P265-F325 HydrophobicContact CB-CE2 3.85Å; P265-F325 HydrophobicContact CB-CZ 4.11Å; P265-F325 WeakPolarHBondContact O-CZ 3.4Å; P265-Q332 HydrophobicContact CG-CG 4.23Å
266I98.6Very high96.5Very high0 Ų038.9 Ų38.90%018%0.179CC..EExtended strand (participates in β ladder)trans-124.6126.2-177.4-47.3176.9000110.7L210 L212 I259 V262 F268 A289 M294 D295 T296 T297L210-I266 HydrophobicContact CD2-CG2 4.34Å; L210-I266 HydrophobicContact CG-CG2 4.45Å; L210-I266 CarbonylContact O-C 3.49Å; L210-I266 WeakPolarHBondContact O-CA 3.23Å; L212-I266 HydrophobicContact CD1-CG2 3.89Å; L212-I266 HydrophobicContact CG-CG2 4.16Å; I259-I266 HydrophobicContact CD1-CD1 4.05Å; I259-I266 HydrophobicContact CG1-CD1 3.72Å; V262-I266 HydrophobicContact CB-CD1 4.37Å; V262-I266 HydrophobicContact CG1-CD1 4.15Å; V262-I266 HydrophobicContact CG1-CG1 4.3Å; I266-F268 HydrophobicContact CB-CE2 4.12Å; I266-F268 HydrophobicContact CG2-CD2 3.98Å; I266-F268 HydrophobicContact CG2-CE2 3.49Å; I266-F268 VanDerWaalsContact CG2-CE2 3.49Å; I266-F268 HydrophobicContact CG2-CZ 3.91Å; I266-A289 HydrophobicContact CD1-CB 4.42Å; I266-M294 HydrophobicContact CD1-CB 4.19Å; I266-M294 HydrophobicContact CD1-CG 4.37Å; I266-D295 PolarHBondContact N-O 2.69Å; I266-T296 HydrophobicContact CB-CG2 4.31Å; I266-T296 CarbonylContact O-C 3.54Å; I266-T296 WeakPolarHBondContact O-CA 3.21Å; I266-T297 PolarHBondContact O-N 3.38Å
267L98.8Very high96.4Very high1 Ų138.3 Ų38.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-106.8123.3171.5177.362.5000110.1L210 I211 L212 L269 T297 I299 V321 F325L210-L267 PolarHBondContact O-N 3.18Å; I211-L267 CarbonylContact C-O 3.54Å; I211-L267 WeakPolarHBondContact CA-O 3.45Å; I211-L267 HydrophobicContact CG1-CB 4.28Å; I211-L267 HydrophobicContact CG1-CD2 4.28Å; I211-L267 HydrophobicContact CG2-CB 4.49Å; I211-L267 HydrophobicContact CG2-CD2 4.1Å; I211-L267 HydrophobicContact CG2-CG 4.42Å; L212-L267 PolarHBondContact N-O 2.9Å; L267-L269 HydrophobicContact CD1-CD2 4.11Å; L267-L269 HydrophobicContact CD2-CD1 4.34Å; L267-L269 HydrophobicContact CD2-CD2 3.96Å; L267-L269 HydrophobicContact CD2-CG 4.2Å; L267-L269 HydrophobicContact CG-CD2 3.93Å; L267-L269 HydrophobicContact CG-CG 4.06Å; L267-T297 CarbonylContact C-O 3.53Å; L267-T297 WeakPolarHBondContact CA-O 3.21Å; L267-T297 HydrophobicContact CD1-CG2 3.84Å; L267-I299 HydrophobicContact CD1-CG1 3.94Å; L267-V321 HydrophobicContact CD1-CG1 4.3Å; L267-V321 HydrophobicContact CD2-CG1 4.09Å; L267-F325 HydrophobicContact CB-CD1 3.88Å; L267-F325 HydrophobicContact CB-CD2 3.68Å; L267-F325 HydrophobicContact CB-CE1 3.82Å; L267-F325 HydrophobicContact CB-CE2 3.62Å; L267-F325 HydrophobicContact CB-CG 3.79Å; L267-F325 HydrophobicContact CB-CZ 3.68Å; L267-F325 HydrophobicContact CD2-CB 3.81Å; L267-F325 HydrophobicContact CD2-CD1 3.95Å; L267-F325 HydrophobicContact CD2-CD2 4.38Å; L267-F325 HydrophobicContact CD2-CG 3.78Å; L267-F325 HydrophobicContact CG-CD2 4.44Å; L267-F325 HydrophobicContact CG-CG 4.31Å
268F98.8Very high96.3Very high0 Ų034.6 Ų34.60%016%0.158CC..EExtended strand (participates in β ladder)trans-100.3129.9171.3-63.4-103.7000109.7L212 P215 I259 I266 L285 E286 A289 T296 T297 F298 I299L212-F268 HydrophobicContact CB-CD1 4.42Å; L212-F268 HydrophobicContact CD1-CD1 4.2Å; L212-F268 HydrophobicContact CD1-CE1 3.8Å; L212-F268 HydrophobicContact CD1-CZ 4.16Å; P215-F268 HydrophobicContact CG-CD1 3.8Å; P215-F268 HydrophobicContact CG-CE1 4.46Å; I259-F268 HydrophobicContact CD1-CE1 4.09Å; I259-F268 HydrophobicContact CD1-CZ 3.58Å; I266-F268 HydrophobicContact CB-CE2 4.12Å; I266-F268 HydrophobicContact CG2-CD2 3.98Å; I266-F268 HydrophobicContact CG2-CE2 3.49Å; I266-F268 VanDerWaalsContact CG2-CE2 3.49Å; I266-F268 HydrophobicContact CG2-CZ 3.91Å; F268-L285 HydrophobicContact CE1-CB 4.32Å; F268-L285 HydrophobicContact CE1-CD2 3.87Å; F268-L285 HydrophobicContact CE1-CG 3.88Å; F268-L285 HydrophobicContact CZ-CG 4.46Å; F268-E286 HydrophobicContact CE1-CB 4.31Å; F268-E286 HydrophobicContact CE2-CB 4.47Å; F268-E286 HydrophobicContact CE2-CG 4.42Å; F268-E286 HydrophobicContact CZ-CB 4.28Å; F268-A289 HydrophobicContact CZ-CB 4.24Å; F268-T296 HydrophobicContact CE2-CG2 3.94Å; F268-T297 PolarHBondContact N-O 3.46Å; F268-F298 HydrophobicContact CB-CB 4.18Å; F268-F298 HydrophobicContact CB-CD1 4.42Å; F268-F298 HydrophobicContact CB-CD2 3.24Å; F268-F298 HydrophobicContact CB-CE2 3.59Å; F268-F298 HydrophobicContact CB-CG 3.72Å; F268-F298 HydrophobicContact CB-CZ 4.3Å; F268-F298 HydrophobicContact CD1-CD2 4.1Å; F268-F298 HydrophobicContact CD1-CE2 4.04Å; F268-F298 HydrophobicContact CD2-CD2 4.2Å; F268-F298 AromaticContact CG-CD2 3.62Å; F268-F298 HydrophobicContact CG-CD2 3.62Å; F268-F298 AromaticContact CG-CE2 3.99Å; F268-F298 HydrophobicContact CG-CE2 3.99Å; F268-F298 HydrophobicContact CG-CG 4.45Å; F268-I299 PolarHBondContact O-N 2.9Å
269L98.6Very high96.2Very high0 Ų034.9 Ų34.90%016%0.16CC..EExtended strand (participates in β ladder)trans-123.5114.1177.5-59.6174.3000108.2W183 I211 L212 A214 L267 I299 F301 I312 L318 V321W183-L269 HydrophobicContact CH2-CD1 3.76Å; W183-L269 HydrophobicContact CZ2-CD1 3.72Å; I211-L269 HydrophobicContact CG2-CD1 3.59Å; I211-L269 HydrophobicContact CG2-CG 4.27Å; L212-L269 PolarHBondContact O-N 3.09Å; A214-L269 PolarHBondContact N-O 3.31Å; L267-L269 HydrophobicContact CD1-CD2 4.11Å; L267-L269 HydrophobicContact CD2-CD1 4.34Å; L267-L269 HydrophobicContact CD2-CD2 3.96Å; L267-L269 HydrophobicContact CD2-CG 4.2Å; L267-L269 HydrophobicContact CG-CD2 3.93Å; L267-L269 HydrophobicContact CG-CG 4.06Å; L269-I299 HydrophobicContact CD2-CB 3.99Å; L269-I299 HydrophobicContact CD2-CG1 4.29Å; L269-F301 HydrophobicContact CB-CE2 3.99Å; L269-F301 HydrophobicContact CD2-CE2 3.91Å; L269-F301 HydrophobicContact CD2-CZ 4.05Å; L269-I312 HydrophobicContact CB-CD1 3.75Å; L269-I312 HydrophobicContact CD1-CD1 4.15Å; L269-L318 HydrophobicContact CD1-CD1 3.92Å; L269-L318 HydrophobicContact CD2-CD1 4.24Å; L269-V321 HydrophobicContact CD2-CG1 3.92Å
270H98.2Very high96.1Very high1 Ų139.2 Ų39.21%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-145.8132-178.6-149.3110.8000113.2A214 P215 D274 I277 F279 A282 F298 I299 F301A214-H270 WeakPolarHBondContact CA-ND1 3.36Å; P215-H270 WeakPolarHBondContact CD-ND1 3.34Å; H270-D274 IonicContact CE1-OD2 3.65Å; H270-D274 IonicContact NE2-OD2 3.36Å; H270-D274 PolarHBondContact NE2-OD2 2.9Å; H270-I277 PolarHBondContact NE2-O 3.32Å; H270-F279 HydrophobicContact CB-CD2 3.97Å; H270-F279 HydrophobicContact CB-CE2 3.96Å; H270-F279 AromaticContact CD2-CD2 3.58Å; H270-F279 AromaticContact CG-CD2 3.92Å; H270-A282 HydrophobicContact CB-CB 4.29Å; H270-A282 WeakPolarHBondContact ND1-CB 3.39Å; H270-F298 HydrophobicContact CB-CE1 4.08Å; H270-F298 HydrophobicContact CB-CZ 3.87Å; H270-I299 PolarHBondContact N-O 3.27Å; H270-I299 VanDerWaalsContact N-O 3.15Å; H270-F301 PolarHBondContact O-N 3.16Å
271A97.3Very high96.1Very high2 Ų234.3 Ų34.32%0.01716%0.161CC..EExtended strand (participates in β ladder)trans-85.3127.1174.900000111.9D273 D274 F301 G308 I312A271-D273 VanDerWaalsContact CB-OD1 3.24Å; A271-D273 WeakPolarHBondContact CB-OD1 3.33Å; A271-D273 PolarHBondContact O-N 3.35Å; A271-D273 VanDerWaalsContact O-N 3.11Å; A271-D274 VanDerWaalsContact O-CB 3.28Å; A271-D274 WeakPolarHBondContact O-CB 3.45Å; A271-D274 PolarHBondContact O-N 3.06Å; A271-F301 WeakPolarHBondContact CA-O 3.27Å; A271-F301 HydrophobicContact CB-CB 4.29Å; A271-G308 WeakPolarHBondContact CB-O 3.31Å; A271-I312 HydrophobicContact CB-CG2 3.84Å
272K95.8Very high96.2Very high87 Ų8730 Ų3038%0.37814%0.142SC..THydrogen-bonded Turntrans-62.2-22.7-178.3-70.8-176.4-175.4158.90113.4F279 E300 F301 D302K272-F279 HydrophobicContact CG-CD1 4.5Å; K272-F279 HydrophobicContact CG-CD2 3.96Å; K272-F279 HydrophobicContact CG-CE1 4.42Å; K272-F279 HydrophobicContact CG-CE2 3.87Å; K272-F279 HydrophobicContact CG-CG 4.29Å; K272-F279 HydrophobicContact CG-CZ 4.13Å; K272-E300 WeakPolarHBondContact CE-OE2 3.28Å; K272-E300 IonicContact NZ-OE2 3.29Å; K272-E300 PolarHBondContact NZ-OE2 3.17Å; K272-F301 PolarHBondContact N-O 3.45Å; K272-D302 VanDerWaalsContact CD-OD1 3.28Å; K272-D302 WeakPolarHBondContact CD-OD1 3.42Å; K272-D302 VanDerWaalsContact CE-OD1 3.32Å; K272-D302 WeakPolarHBondContact CE-OD1 3.48Å; K272-D302 IonicContact NZ-OD1 3.02Å; K272-D302 PolarHBondContact NZ-OD1 3.2Å
273D94.8Very high96.3Very high16 Ų1632.1 Ų32.19%0.08615%0.15CC..THydrogen-bonded Turntrans-91.510.7178.371-37.8000113.7A271 R275 H303 N306 Y307 G308A271-D273 VanDerWaalsContact CB-OD1 3.24Å; A271-D273 WeakPolarHBondContact CB-OD1 3.33Å; A271-D273 PolarHBondContact O-N 3.35Å; A271-D273 VanDerWaalsContact O-N 3.11Å; D273-R275 WeakPolarHBondContact O-CG 3.47Å; D273-R275 PolarHBondContact O-N 3.23Å; D273-R275 VanDerWaalsContact O-N 3.17Å; D273-H303 HydrophobicContact CB-CB 4.29Å; D273-H303 WeakPolarHBondContact CB-CD2 3.41Å; D273-N306 WeakPolarHBondContact OD2-CA 3.34Å; D273-Y307 PolarHBondContact OD2-N 2.67Å; D273-Y307 VanDerWaalsContact OD2-N 3.09Å; D273-G308 VanDerWaalsContact CG-N 3.31Å; D273-G308 PolarHBondContact OD1-N 3.11Å; D273-G308 PolarHBondContact OD2-N 3.47Å
274D95Very high96.5Very high11 Ų1133 Ų336%0.05915%0.148CC..  trans-63.2113.6173.2-170.4-15.5000111.6H270 A271 I276 I277 H309H270-D274 IonicContact CE1-OD2 3.65Å; H270-D274 IonicContact NE2-OD2 3.36Å; H270-D274 PolarHBondContact NE2-OD2 2.9Å; A271-D274 VanDerWaalsContact O-CB 3.28Å; A271-D274 WeakPolarHBondContact O-CB 3.45Å; A271-D274 PolarHBondContact O-N 3.06Å; D274-I276 WeakPolarHBondContact OD1-CA 3.39Å; D274-I276 PolarHBondContact OD1-N 2.83Å; D274-I277 WeakPolarHBondContact CB-O 3.28Å; D274-I277 PolarHBondContact OD1-N 3.43Å; D274-H309 WeakPolarHBondContact OD1-CB 3.24Å; D274-H309 IonicContact OD1-CG 2.69Å; D274-H309 IonicContact OD1-ND1 3.65Å; D274-H309 PolarHBondContact OD1-ND1 3.19Å; D274-H309 IonicContact OD2-CE1 3.89Å; D274-H309 IonicContact OD2-CG 2.76Å; D274-H309 IonicContact OD2-ND1 2.66Å; D274-H309 PolarHBondContact OD2-ND1 3.21Å
275R91.7Very high96.6Very high194 Ų19432.2 Ų32.273%0.73214%0.144SC*.SBendtrans-93.8-6.5179.8-58.7-175.6-177.21750.5113.7D273D273-R275 WeakPolarHBondContact O-CG 3.47Å; D273-R275 PolarHBondContact O-N 3.23Å; D273-R275 VanDerWaalsContact O-N 3.17Å
276I92.3Very high96.7Very high67 Ų6732.2 Ų32.234%0.34414%0.143SC..SBendtrans-95.5-54179.1-56.6-51.5000109.4D274 H309D274-I276 WeakPolarHBondContact OD1-CA 3.39Å; D274-I276 PolarHBondContact OD1-N 2.83Å; I276-H309 HydrophobicContact CB-CB 4.04Å; I276-H309 HydrophobicContact CG1-CB 3.83Å
277I94.5Very high96.7Very high4 Ų440 Ų402%0.02117%0.173CC..SBendtrans-111.2104.6175.8-55.2-59.8000108.2P215 F216 V222 H270 D274 F279 H309P215-I277 WeakPolarHBondContact O-CG2 3.42Å; F216-I277 HydrophobicContact CB-CG2 3.83Å; F216-I277 HydrophobicContact CD1-CD1 4.23Å; V222-I277 HydrophobicContact CB-CD1 4.42Å; V222-I277 HydrophobicContact CG1-CD1 3.65Å; V222-I277 HydrophobicContact CG2-CD1 3.85Å; H270-I277 PolarHBondContact NE2-O 3.32Å; D274-I277 WeakPolarHBondContact CB-O 3.28Å; D274-I277 PolarHBondContact OD1-N 3.43Å; I277-F279 PolarHBondContact O-N 3.29Å; I277-H309 WeakPolarHBondContact CG1-CE1 3.34Å
278P94.6Very high96.6Very high28 Ų2842.3 Ų42.318%0.18218%0.184CC..  trans-56.2130.2-180-24.832.2000111.9H225 H280 L281H225-P278 HydrophobicContact CB-CG 3.81Å; P278-H280 WeakPolarHBondContact CB-CE1 3.36Å; P278-H280 WeakPolarHBondContact CB-ND1 3.23Å; P278-H280 PolarHBondContact O-N 3.35Å; P278-L281 HydrophobicContact CB-CG 4.39Å; P278-L281 HydrophobicContact CG-CD1 4.43Å; P278-L281 WeakPolarHBondContact O-CB 3.41Å; P278-L281 PolarHBondContact O-N 2.64Å
279F95.6Very high96.6Very high40 Ų4042.3 Ų42.318%0.17518%0.184CC..Hα-helixtrans-48.2-35.2-178.1-178-98.9000114.5H270 K272 I277 L281 A282 K283 F298 E300H270-F279 HydrophobicContact CB-CD2 3.97Å; H270-F279 HydrophobicContact CB-CE2 3.96Å; H270-F279 AromaticContact CD2-CD2 3.58Å; H270-F279 AromaticContact CG-CD2 3.92Å; K272-F279 HydrophobicContact CG-CD1 4.5Å; K272-F279 HydrophobicContact CG-CD2 3.96Å; K272-F279 HydrophobicContact CG-CE1 4.42Å; K272-F279 HydrophobicContact CG-CE2 3.87Å; K272-F279 HydrophobicContact CG-CG 4.29Å; K272-F279 HydrophobicContact CG-CZ 4.13Å; I277-F279 PolarHBondContact O-N 3.29Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 2.77Å; F279-A282 PolarHBondContact O-N 3.43Å; F279-K283 HydrophobicContact CD1-CG 3.96Å; F279-K283 HydrophobicContact CE1-CD 3.73Å; F279-K283 HydrophobicContact CE1-CG 3.5Å; F279-K283 VanDerWaalsContact CE1-CG 3.5Å; F279-K283 HydrophobicContact CZ-CD 3.78Å; F279-K283 HydrophobicContact CZ-CG 4.01Å; F279-K283 PolarHBondContact O-N 3.32Å; F279-F298 AromaticContact CE2-CE1 3.77Å; F279-F298 HydrophobicContact CE2-CE1 3.77Å; F279-F298 HydrophobicContact CE2-CZ 4.05Å; F279-F298 AromaticContact CZ-CE1 3.85Å; F279-F298 HydrophobicContact CZ-CE1 3.85Å; F279-F298 HydrophobicContact CZ-CZ 4.2Å; F279-E300 HydrophobicContact CE2-CB 4.16Å; F279-E300 HydrophobicContact CE2-CG 4.18Å; F279-E300 HydrophobicContact CZ-CB 4.06Å; F279-E300 VanDerWaalsContact CZ-CD 3.46Å; F279-E300 HydrophobicContact CZ-CG 3.71Å
280H96.8Very high96.6Very high91 Ų9147.2 Ų47.242%0.42121%0.205SC..Hα-helixtrans-65.4-24.2179.671.7-87.6000114H225 P278 K283 K284H225-H280 AromaticContact CE1-NE2 3.94Å; H225-H280 AromaticContact NE2-NE2 3.89Å; P278-H280 WeakPolarHBondContact CB-CE1 3.36Å; P278-H280 WeakPolarHBondContact CB-ND1 3.23Å; P278-H280 PolarHBondContact O-N 3.35Å; H280-K283 PolarHBondContact O-N 2.86Å; H280-K284 WeakPolarHBondContact O-CB 3.39Å; H280-K284 PolarHBondContact O-N 2.92Å
281L97.7Very high96.5Very high0 Ų052.9 Ų52.90%024%0.235CC..Hα-helixtrans-69.2-38.6175.5-60-174000111.2F216 E221 V222 P278 F279 K284 L285F216-L281 HydrophobicContact CB-CB 4.33Å; F216-L281 HydrophobicContact CB-CD1 4.4Å; E221-L281 HydrophobicContact CB-CD1 4.37Å; E221-L281 HydrophobicContact CB-CD2 3.91Å; E221-L281 WeakPolarHBondContact OE2-CD2 3.45Å; V222-L281 HydrophobicContact CG2-CD1 4.08Å; P278-L281 HydrophobicContact CB-CG 4.39Å; P278-L281 HydrophobicContact CG-CD1 4.43Å; P278-L281 WeakPolarHBondContact O-CB 3.41Å; P278-L281 PolarHBondContact O-N 2.64Å; F279-L281 VanDerWaalsContact C-N 3.26Å; F279-L281 PolarHBondContact O-N 2.77Å; L281-K284 PolarHBondContact O-N 2.88Å; L281-L285 PolarHBondContact O-N 3.23Å
282A98.1Very high96.5Very high0 Ų054.3 Ų54.30%025%0.247CC..Hα-helixtrans-65.4-42.5172.400000111.8P215 H270 F279 K284 L285 E286 F298P215-A282 HydrophobicContact CG-CB 3.91Å; P215-A282 WeakPolarHBondContact O-CB 3.44Å; H270-A282 HydrophobicContact CB-CB 4.29Å; H270-A282 WeakPolarHBondContact ND1-CB 3.39Å; F279-A282 PolarHBondContact O-N 3.43Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.29Å; A282-L285 PolarHBondContact O-N 3.26Å; A282-E286 PolarHBondContact O-N 2.74Å; A282-F298 HydrophobicContact CB-CE2 4Å; A282-F298 HydrophobicContact CB-CZ 3.87Å
283K98.1Very high96.6Very high48 Ų4853.3 Ų53.321%0.20926%0.261CS..Hα-helixtrans-63.1-34.4174.4-63.2-60.1-68.1-176.20112.6F279 H280 E286 R287 F298 E300F279-K283 HydrophobicContact CD1-CG 3.96Å; F279-K283 HydrophobicContact CE1-CD 3.73Å; F279-K283 HydrophobicContact CE1-CG 3.5Å; F279-K283 VanDerWaalsContact CE1-CG 3.5Å; F279-K283 HydrophobicContact CZ-CD 3.78Å; F279-K283 HydrophobicContact CZ-CG 4.01Å; F279-K283 PolarHBondContact O-N 3.32Å; H280-K283 PolarHBondContact O-N 2.86Å; K283-E286 WeakPolarHBondContact CE-OE2 3.13Å; K283-E286 IonicContact NZ-OE1 3.27Å; K283-E286 IonicContact NZ-OE2 3.97Å; K283-E286 PolarHBondContact NZ-OE2 2.74Å; K283-R287 WeakPolarHBondContact O-CG 3.39Å; K283-R287 PolarHBondContact O-N 3.48Å; K283-R287 VanDerWaalsContact O-N 3.14Å; K283-F298 HydrophobicContact CD-CD1 4.47Å; K283-F298 HydrophobicContact CD-CD2 4.33Å; K283-F298 HydrophobicContact CD-CE1 4.06Å; K283-F298 HydrophobicContact CD-CE2 3.87Å; K283-F298 HydrophobicContact CD-CZ 3.73Å; K283-F298 HydrophobicContact CG-CZ 4.5Å; K283-E300 IonicContact NZ-OE1 2.84Å; K283-E300 PolarHBondContact NZ-OE1 3.29Å
284K98Very high96.7Very high76 Ų7654.6 Ų54.633%0.3327%0.267SS..Hα-helixtrans-65.3-45.4173.2-176.1173.4175.3-178.60111N217 E221 H280 L281 A282 R287 E288N217-K284 HydrophobicContact CB-CG 4.48Å; E221-K284 IonicContact OE1-NZ 3.63Å; E221-K284 PolarHBondContact OE1-NZ 3.48Å; E221-K284 IonicContact OE2-NZ 2.74Å; E221-K284 PolarHBondContact OE2-NZ 3.29Å; H280-K284 WeakPolarHBondContact O-CB 3.39Å; H280-K284 PolarHBondContact O-N 2.92Å; L281-K284 PolarHBondContact O-N 2.88Å; A282-K284 VanDerWaalsContact C-N 3.29Å; A282-K284 PolarHBondContact O-N 3.29Å; K284-R287 WeakPolarHBondContact O-CB 3.49Å; K284-R287 PolarHBondContact O-N 3.16Å; K284-E288 PolarHBondContact O-N 2.85Å; K284-E288 VanDerWaalsContact O-N 3.16Å
285L98.5Very high96.8Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-62.8-41.9176.4-177.964.8000112.6L212 P215 N217 T255 D256 I259 F268 L281 A282 R287 E288 A289L212-L285 HydrophobicContact CD1-CD2 4.17Å; P215-L285 HydrophobicContact CB-CD2 3.86Å; N217-L285 HydrophobicContact CB-CB 4.15Å; T255-L285 HydrophobicContact CG2-CD1 3.79Å; T255-L285 HydrophobicContact CG2-CD2 3.6Å; T255-L285 HydrophobicContact CG2-CG 4.36Å; D256-L285 HydrophobicContact CB-CD1 4.36Å; I259-L285 HydrophobicContact CB-CD1 4.06Å; I259-L285 HydrophobicContact CD1-CD1 3.84Å; I259-L285 HydrophobicContact CD1-CD2 4.08Å; I259-L285 HydrophobicContact CD1-CG 3.78Å; I259-L285 HydrophobicContact CG2-CD1 3.66Å; F268-L285 HydrophobicContact CE1-CB 4.32Å; F268-L285 HydrophobicContact CE1-CD2 3.87Å; F268-L285 HydrophobicContact CE1-CG 3.88Å; F268-L285 HydrophobicContact CZ-CG 4.46Å; L281-L285 PolarHBondContact O-N 3.23Å; A282-L285 PolarHBondContact O-N 3.26Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 3.19Å; L285-E288 PolarHBondContact O-N 3.4Å; L285-A289 PolarHBondContact O-N 3.47Å; L285-A289 VanDerWaalsContact O-N 3.11Å
286E98.4Very high97.1Very high10 Ų1049.3 Ų49.35%0.04725%0.254CS..Hα-helixtrans-56.9-42.9174.3-176.1-159.2-170.700111.4F268 A282 K283 A289 K290 F298F268-E286 HydrophobicContact CE1-CB 4.31Å; F268-E286 HydrophobicContact CE2-CB 4.47Å; F268-E286 HydrophobicContact CE2-CG 4.42Å; F268-E286 HydrophobicContact CZ-CB 4.28Å; A282-E286 PolarHBondContact O-N 2.74Å; K283-E286 WeakPolarHBondContact CE-OE2 3.13Å; K283-E286 IonicContact NZ-OE1 3.27Å; K283-E286 IonicContact NZ-OE2 3.97Å; K283-E286 PolarHBondContact NZ-OE2 2.74Å; E286-A289 PolarHBondContact O-N 3.38Å; E286-K290 HydrophobicContact CG-CD 4.15Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 WeakPolarHBondContact O-CG 3.17Å; E286-K290 PolarHBondContact O-N 2.85Å; E286-K290 WeakPolarHBondContact OE1-CE 3.43Å; E286-K290 IonicContact OE1-NZ 2.74Å; E286-K290 PolarHBondContact OE1-NZ 3.23Å; E286-F298 HydrophobicContact CB-CD2 3.76Å; E286-F298 HydrophobicContact CB-CE2 4.1Å; E286-F298 VanDerWaalsContact CD-CD2 3.43Å; E286-F298 HydrophobicContact CG-CB 4.41Å; E286-F298 HydrophobicContact CG-CD2 3.71Å; E286-F298 HydrophobicContact CG-CG 4.49Å; E286-F298 VanDerWaalsContact OE1-CB 3.31Å; E286-F298 WeakPolarHBondContact OE1-CB 3.3Å
287R98.3Very high97.3Very high164 Ų16448.9 Ų48.962%0.61926%0.255SS*.Hα-helixtrans-61.5-44.8176.6-72.5173.4-174.2-1691111.8K283 K284 L285 A289 K290 D291K283-R287 WeakPolarHBondContact O-CG 3.39Å; K283-R287 PolarHBondContact O-N 3.48Å; K283-R287 VanDerWaalsContact O-N 3.14Å; K284-R287 WeakPolarHBondContact O-CB 3.49Å; K284-R287 PolarHBondContact O-N 3.16Å; L285-R287 VanDerWaalsContact C-N 3.29Å; L285-R287 PolarHBondContact O-N 3.19Å; R287-A289 VanDerWaalsContact C-N 3.28Å; R287-A289 PolarHBondContact O-N 2.97Å; R287-K290 PolarHBondContact O-N 3.32Å; R287-D291 VanDerWaalsContact O-CB 3.32Å; R287-D291 WeakPolarHBondContact O-CB 3.32Å; R287-D291 PolarHBondContact O-N 3.03Å
288E98.2Very high97.5Very high50 Ų5050 Ų5023%0.23426%0.26CS..Hα-helixtrans-58.7-40.7176.4-66.5-66.2158.200112.2D256 I259 R260 K284 L285 A292D256-E288 HydrophobicContact CB-CG 3.99Å; I259-E288 HydrophobicContact CG2-CB 4.18Å; R260-E288 IonicContact CZ-OE2 2.69Å; R260-E288 IonicContact NH1-OE2 3.83Å; R260-E288 PolarHBondContact NH1-OE2 2.89Å; K284-E288 PolarHBondContact O-N 2.85Å; K284-E288 VanDerWaalsContact O-N 3.16Å; L285-E288 PolarHBondContact O-N 3.4Å; E288-A292 WeakPolarHBondContact O-CB 3.46Å; E288-A292 PolarHBondContact O-N 3.34Å; E288-A292 VanDerWaalsContact O-N 3.17Å
289A98.2Very high97.7Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-66.8-45.5175.700000112.1I259 I266 F268 L285 E286 R287 A292 G293 M294 T296I259-A289 HydrophobicContact CD1-CB 3.9Å; I259-A289 HydrophobicContact CG1-CB 3.97Å; I259-A289 HydrophobicContact CG2-CB 4.26Å; I266-A289 HydrophobicContact CD1-CB 4.42Å; F268-A289 HydrophobicContact CZ-CB 4.24Å; L285-A289 PolarHBondContact O-N 3.47Å; L285-A289 VanDerWaalsContact O-N 3.11Å; E286-A289 PolarHBondContact O-N 3.38Å; R287-A289 VanDerWaalsContact C-N 3.28Å; R287-A289 PolarHBondContact O-N 2.97Å; A289-A292 CarbonylContact O-C 3.53Å; A289-A292 PolarHBondContact O-N 3.43Å; A289-G293 PolarHBondContact O-N 3.26Å; A289-M294 HydrophobicContact CB-CB 4.18Å; A289-M294 HydrophobicContact CB-CG 4.32Å; A289-M294 VanDerWaalsContact O-CB 3.29Å; A289-M294 WeakPolarHBondContact O-CB 3.39Å; A289-M294 WeakPolarHBondContact O-CG 3.27Å; A289-M294 PolarHBondContact O-N 3.34Å; A289-T296 HydrophobicContact CB-CG2 3.73Å
290K97.9Very high97.7Very high103 Ų10352.4 Ų52.445%0.44827%0.27SS..Hα-helixtrans-62.6-42.8176.9-77.7179.7169.2174.20112.6E286 R287 A292 G293 T296E286-K290 HydrophobicContact CG-CD 4.15Å; E286-K290 WeakPolarHBondContact O-CB 3.49Å; E286-K290 WeakPolarHBondContact O-CG 3.17Å; E286-K290 PolarHBondContact O-N 2.85Å; E286-K290 WeakPolarHBondContact OE1-CE 3.43Å; E286-K290 IonicContact OE1-NZ 2.74Å; E286-K290 PolarHBondContact OE1-NZ 3.23Å; R287-K290 PolarHBondContact O-N 3.32Å; K290-A292 PolarHBondContact O-N 2.93Å; K290-G293 WeakPolarHBondContact O-CA 3.4Å; K290-G293 PolarHBondContact O-N 3.23Å; K290-T296 WeakPolarHBondContact CE-OG1 3.21Å; K290-T296 VanDerWaalsContact CG-OG1 3.25Å; K290-T296 WeakPolarHBondContact CG-OG1 3.43Å
291D97.8Very high97.7Very high120 Ų12048 Ų4864%0.64225%0.25SC*.Hα-helixtrans-66.2-25.1177.8-70.5-11.6000111.9R287 G293R287-D291 VanDerWaalsContact O-CB 3.32Å; R287-D291 WeakPolarHBondContact O-CB 3.32Å; R287-D291 PolarHBondContact O-N 3.03Å; D291-G293 VanDerWaalsContact C-N 3.31Å
292A97.4Very high97.1Very high31 Ų3152 Ų5226%0.25627%0.271SS..THydrogen-bonded Turntrans-84.2-0.1170.700000113.8R260 E288 A289 K290 M294R260-A292 HydrophobicContact CB-CB 3.76Å; R260-A292 HydrophobicContact CG-CB 3.94Å; E288-A292 WeakPolarHBondContact O-CB 3.46Å; E288-A292 PolarHBondContact O-N 3.34Å; E288-A292 VanDerWaalsContact O-N 3.17Å; A289-A292 CarbonylContact O-C 3.53Å; A289-A292 PolarHBondContact O-N 3.43Å; K290-A292 PolarHBondContact O-N 2.93Å; A292-M294 HydrophobicContact CB-CE 4.36Å; A292-M294 HydrophobicContact CB-CG 4.35Å; A292-M294 VanDerWaalsContact O-CE 3.24Å; A292-M294 WeakPolarHBondContact O-CE 3.25Å
293G97Very high95.6Very high66 Ų6657 Ų5768%0.6829%0.294SS*.THydrogen-bonded Turntrans78.520.6178.900000114.5A289 K290 D291A289-G293 PolarHBondContact O-N 3.26Å; K290-G293 WeakPolarHBondContact O-CA 3.4Å; K290-G293 PolarHBondContact O-N 3.23Å; D291-G293 VanDerWaalsContact C-N 3.31Å
294M96.2Very high94.5Very high43 Ų4359.4 Ų59.421%0.21232%0.315CS..  trans-73.7145.6179.5-60.2-61.2108.300111.9I266 A289 A292 T296I266-M294 HydrophobicContact CD1-CB 4.19Å; I266-M294 HydrophobicContact CD1-CG 4.37Å; A289-M294 HydrophobicContact CB-CB 4.18Å; A289-M294 HydrophobicContact CB-CG 4.32Å; A289-M294 VanDerWaalsContact O-CB 3.29Å; A289-M294 WeakPolarHBondContact O-CB 3.39Å; A289-M294 WeakPolarHBondContact O-CG 3.27Å; A289-M294 PolarHBondContact O-N 3.34Å; A292-M294 HydrophobicContact CB-CE 4.36Å; A292-M294 HydrophobicContact CB-CG 4.35Å; A292-M294 VanDerWaalsContact O-CE 3.24Å; A292-M294 WeakPolarHBondContact O-CE 3.25Å; M294-T296 HydrophobicContact CB-CG2 3.93Å; M294-T296 PolarHBondContact O-N 2.93Å
295D97Very high93.6Very high71 Ų7161.1 Ų61.138%0.3832%0.324SS..  trans-71.7111.3168.818013000109.8I266 H328I266-D295 PolarHBondContact N-O 2.69Å; D295-H328 IonicContact OD1-NE2 2.69Å; D295-H328 IonicContact OD2-CD2 3.42Å; D295-H328 IonicContact OD2-CE1 2.89Å; D295-H328 IonicContact OD2-NE2 3.64Å; D295-H328 PolarHBondContact OD2-NE2 2.93Å
296T97.9Very high93.2Very high23 Ų2366.6 Ų66.614%0.14135%0.353CS..EExtended strand (participates in β ladder)trans-133.3132.7-169.355.50000111.7I266 F268 A289 K290 M294I266-T296 HydrophobicContact CB-CG2 4.31Å; I266-T296 CarbonylContact O-C 3.54Å; I266-T296 WeakPolarHBondContact O-CA 3.21Å; F268-T296 HydrophobicContact CE2-CG2 3.94Å; A289-T296 HydrophobicContact CB-CG2 3.73Å; K290-T296 WeakPolarHBondContact CE-OG1 3.21Å; K290-T296 VanDerWaalsContact CG-OG1 3.25Å; K290-T296 WeakPolarHBondContact CG-OG1 3.43Å; M294-T296 HydrophobicContact CB-CG2 3.93Å; M294-T296 PolarHBondContact O-N 2.93Å
297T98.2Very high93Very high59 Ų5966.4 Ų66.436%0.36235%0.352SS..EExtended strand (participates in β ladder)trans-119.4134.4168.2-630000108.9I266 L267 F268 I299I266-T297 PolarHBondContact O-N 3.38Å; L267-T297 CarbonylContact C-O 3.53Å; L267-T297 WeakPolarHBondContact CA-O 3.21Å; L267-T297 HydrophobicContact CD1-CG2 3.84Å; F268-T297 PolarHBondContact N-O 3.46Å; T297-I299 HydrophobicContact CG2-CD1 3.98Å; T297-I299 HydrophobicContact CG2-CG1 4.33Å
298F98.3Very high92.8Very high27 Ų2759.3 Ų59.312%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-124.1118.7178.5-162-63.5000110.3F268 H270 F279 A282 K283 E286 E300F268-F298 HydrophobicContact CB-CB 4.18Å; F268-F298 HydrophobicContact CB-CD1 4.42Å; F268-F298 HydrophobicContact CB-CD2 3.24Å; F268-F298 HydrophobicContact CB-CE2 3.59Å; F268-F298 HydrophobicContact CB-CG 3.72Å; F268-F298 HydrophobicContact CB-CZ 4.3Å; F268-F298 HydrophobicContact CD1-CD2 4.1Å; F268-F298 HydrophobicContact CD1-CE2 4.04Å; F268-F298 HydrophobicContact CD2-CD2 4.2Å; F268-F298 AromaticContact CG-CD2 3.62Å; F268-F298 HydrophobicContact CG-CD2 3.62Å; F268-F298 AromaticContact CG-CE2 3.99Å; F268-F298 HydrophobicContact CG-CE2 3.99Å; F268-F298 HydrophobicContact CG-CG 4.45Å; H270-F298 HydrophobicContact CB-CE1 4.08Å; H270-F298 HydrophobicContact CB-CZ 3.87Å; F279-F298 AromaticContact CE2-CE1 3.77Å; F279-F298 HydrophobicContact CE2-CE1 3.77Å; F279-F298 HydrophobicContact CE2-CZ 4.05Å; F279-F298 AromaticContact CZ-CE1 3.85Å; F279-F298 HydrophobicContact CZ-CE1 3.85Å; F279-F298 HydrophobicContact CZ-CZ 4.2Å; A282-F298 HydrophobicContact CB-CE2 4Å; A282-F298 HydrophobicContact CB-CZ 3.87Å; K283-F298 HydrophobicContact CD-CD1 4.47Å; K283-F298 HydrophobicContact CD-CD2 4.33Å; K283-F298 HydrophobicContact CD-CE1 4.06Å; K283-F298 HydrophobicContact CD-CE2 3.87Å; K283-F298 HydrophobicContact CD-CZ 3.73Å; K283-F298 HydrophobicContact CG-CZ 4.5Å; E286-F298 HydrophobicContact CB-CD2 3.76Å; E286-F298 HydrophobicContact CB-CE2 4.1Å; E286-F298 VanDerWaalsContact CD-CD2 3.43Å; E286-F298 HydrophobicContact CG-CB 4.41Å; E286-F298 HydrophobicContact CG-CD2 3.71Å; E286-F298 HydrophobicContact CG-CG 4.49Å; E286-F298 VanDerWaalsContact OE1-CB 3.31Å; E286-F298 WeakPolarHBondContact OE1-CB 3.3Å; F298-E300 HydrophobicContact CD1-CG 3.58Å; F298-E300 HydrophobicContact CE1-CG 3.71Å
299I97.9Very high92.7Very high46 Ų4657.9 Ų57.924%0.23632%0.323CS..EExtended strand (participates in β ladder)trans-107.4118.9176.6-52.6-59.4000108.8L267 F268 L269 H270 T297 F301 V321L267-I299 HydrophobicContact CD1-CG1 3.94Å; F268-I299 PolarHBondContact O-N 2.9Å; L269-I299 HydrophobicContact CD2-CB 3.99Å; L269-I299 HydrophobicContact CD2-CG1 4.29Å; H270-I299 PolarHBondContact N-O 3.27Å; H270-I299 VanDerWaalsContact N-O 3.15Å; T297-I299 HydrophobicContact CG2-CD1 3.98Å; T297-I299 HydrophobicContact CG2-CG1 4.33Å; I299-F301 HydrophobicContact CB-CE2 4.38Å; I299-F301 HydrophobicContact CG2-CE1 4.19Å; I299-F301 HydrophobicContact CG2-CE2 3.95Å; I299-F301 HydrophobicContact CG2-CZ 3.75Å; I299-V321 HydrophobicContact CG1-CG1 3.75Å; I299-V321 HydrophobicContact CG1-CG2 4.37Å; I299-V321 HydrophobicContact CG2-CG2 4.35Å
300E96.4Very high92.5Very high72 Ų7260.9 Ų60.934%0.33634%0.336SS..EExtended strand (participates in β ladder)trans-99.4122.2180-42.8-172.2161.500109.1K272 F279 K283 F298K272-E300 WeakPolarHBondContact CE-OE2 3.28Å; K272-E300 IonicContact NZ-OE2 3.29Å; K272-E300 PolarHBondContact NZ-OE2 3.17Å; F279-E300 HydrophobicContact CE2-CB 4.16Å; F279-E300 HydrophobicContact CE2-CG 4.18Å; F279-E300 HydrophobicContact CZ-CB 4.06Å; F279-E300 VanDerWaalsContact CZ-CD 3.46Å; F279-E300 HydrophobicContact CZ-CG 3.71Å; K283-E300 IonicContact NZ-OE1 2.84Å; K283-E300 PolarHBondContact NZ-OE1 3.29Å; F298-E300 HydrophobicContact CD1-CG 3.58Å; F298-E300 HydrophobicContact CE1-CG 3.71Å
301F95.8Very high92.4Very high0 Ų061.2 Ų61.20%034%0.335CS..EExtended strand (participates in β ladder)trans-96120.5177.1-60.1-88.9000110.1L269 H270 A271 K272 I299 Y307 I312 A315 E317 L318L269-F301 HydrophobicContact CB-CE2 3.99Å; L269-F301 HydrophobicContact CD2-CE2 3.91Å; L269-F301 HydrophobicContact CD2-CZ 4.05Å; H270-F301 PolarHBondContact O-N 3.16Å; A271-F301 WeakPolarHBondContact CA-O 3.27Å; A271-F301 HydrophobicContact CB-CB 4.29Å; K272-F301 PolarHBondContact N-O 3.45Å; I299-F301 HydrophobicContact CB-CE2 4.38Å; I299-F301 HydrophobicContact CG2-CE1 4.19Å; I299-F301 HydrophobicContact CG2-CE2 3.95Å; I299-F301 HydrophobicContact CG2-CZ 3.75Å; F301-Y307 HydrophobicContact CB-CD2 3.56Å; F301-Y307 HydrophobicContact CB-CE2 3.75Å; F301-Y307 HydrophobicContact CD1-CE2 4.21Å; F301-Y307 HydrophobicContact CG-CD2 4.41Å; F301-Y307 HydrophobicContact CG-CE2 4.41Å; F301-I312 HydrophobicContact CD2-CB 4.29Å; F301-I312 HydrophobicContact CD2-CG2 3.95Å; F301-I312 HydrophobicContact CE2-CB 4.38Å; F301-I312 HydrophobicContact CE2-CD1 4Å; F301-I312 HydrophobicContact CE2-CG2 4.44Å; F301-I312 HydrophobicContact CG-CG2 4.23Å; F301-I312 HydrophobicContact CZ-CD1 4.44Å; F301-A315 HydrophobicContact CD1-CB 3.63Å; F301-A315 HydrophobicContact CE1-CB 3.62Å; F301-E317 WeakPolarHBondContact CD1-OE1 3.49Å; F301-E317 HydrophobicContact CE1-CG 4.1Å; F301-L318 HydrophobicContact CZ-CD1 3.91Å
302D85.8Confident92.4Very high83 Ų8355.7 Ų55.744%0.44431%0.306SS..PPolyproline II helixtrans-78.6156.2-170.7-77.4-34000114.4K272 P304K272-D302 VanDerWaalsContact CD-OD1 3.28Å; K272-D302 WeakPolarHBondContact CD-OD1 3.42Å; K272-D302 VanDerWaalsContact CE-OD1 3.32Å; K272-D302 WeakPolarHBondContact CE-OD1 3.48Å; K272-D302 IonicContact NZ-OD1 3.02Å; K272-D302 PolarHBondContact NZ-OD1 3.2Å; D302-P304 WeakPolarHBondContact O-CD 3.44Å
303H67.2Low92.3Very high105 Ų10555.3 Ų55.349%0.48630%0.299SS..G310 helixtrans-64.2-22.6-170.3-172.8-69.3000118D273 H305 N306D273-H303 HydrophobicContact CB-CB 4.29Å; D273-H303 WeakPolarHBondContact CB-CD2 3.41Å; H303-H305 PolarHBondContact O-N 3.01Å; H303-N306 PolarHBondContact O-N 2.8Å
304P74Confident92.3Very high98 Ų9856.9 Ų56.964%0.63629%0.292SS*.G310 helixtrans-66.8-15-17525.9-31.4000113.4D302D302-P304 WeakPolarHBondContact O-CD 3.44Å
305H79.5Confident92.2Very high113 Ų11355 Ų5552%0.52328%0.283SS..G310 helixtrans-95-3.8-173.2-55.7107.5000115.4H303 Y307H303-H305 PolarHBondContact O-N 3.01Å; H305-Y307 VanDerWaalsContact C-N 3.31Å; H305-Y307 HydrophobicContact CB-CD1 3.98Å; H305-Y307 HydrophobicContact CB-CD2 3.9Å; H305-Y307 HydrophobicContact CB-CE1 3.5Å; H305-Y307 HydrophobicContact CB-CE2 3.44Å; H305-Y307 VanDerWaalsContact CB-CE2 3.44Å; H305-Y307 HydrophobicContact CB-CG 4.17Å; H305-Y307 AromaticContact CG-CE2 3.87Å; H305-Y307 AromaticContact CG-CZ 3.6Å; H305-Y307 AromaticContact ND1-CE2 3.8Å; H305-Y307 AromaticContact ND1-CZ 3.87Å; H305-Y307 PolarHBondContact O-N 3.09Å
306N89.5Confident92.1Very high114 Ų11456.6 Ų56.661%0.6130%0.297SS*.  trans52.640.9179-64.2-61.4000114.5D273 H303D273-N306 WeakPolarHBondContact OD2-CA 3.34Å; H303-N306 PolarHBondContact O-N 2.8Å
307Y94.5Very high92Very high7 Ų758.8 Ų58.83%0.02731%0.306CS..  trans-66.7-39.5-180-59.9-51.6000112D273 F301 H305 Y311 N314 A315D273-Y307 PolarHBondContact OD2-N 2.67Å; D273-Y307 VanDerWaalsContact OD2-N 3.09Å; F301-Y307 HydrophobicContact CB-CD2 3.56Å; F301-Y307 HydrophobicContact CB-CE2 3.75Å; F301-Y307 HydrophobicContact CD1-CE2 4.21Å; F301-Y307 HydrophobicContact CG-CD2 4.41Å; F301-Y307 HydrophobicContact CG-CE2 4.41Å; H305-Y307 VanDerWaalsContact C-N 3.31Å; H305-Y307 HydrophobicContact CB-CD1 3.98Å; H305-Y307 HydrophobicContact CB-CD2 3.9Å; H305-Y307 HydrophobicContact CB-CE1 3.5Å; H305-Y307 HydrophobicContact CB-CE2 3.44Å; H305-Y307 VanDerWaalsContact CB-CE2 3.44Å; H305-Y307 HydrophobicContact CB-CG 4.17Å; H305-Y307 AromaticContact CG-CE2 3.87Å; H305-Y307 AromaticContact CG-CZ 3.6Å; H305-Y307 AromaticContact ND1-CE2 3.8Å; H305-Y307 AromaticContact ND1-CZ 3.87Å; H305-Y307 PolarHBondContact O-N 3.09Å; Y307-Y311 VanDerWaalsContact CD1-O 3.27Å; Y307-Y311 WeakPolarHBondContact CD1-O 3.27Å; Y307-Y311 WeakPolarHBondContact O-CA 3.39Å; Y307-Y311 VanDerWaalsContact O-CB 3.28Å; Y307-Y311 WeakPolarHBondContact O-CB 3.3Å; Y307-Y311 PolarHBondContact O-N 3.5Å; Y307-N314 HydrophobicContact CD1-CB 4.48Å; Y307-N314 HydrophobicContact CE1-CB 4.38Å; Y307-A315 HydrophobicContact CE1-CB 3.8Å; Y307-A315 HydrophobicContact CE2-CB 4.12Å; Y307-A315 WeakPolarHBondContact OH-CA 3.5Å; Y307-A315 WeakPolarHBondContact OH-CB 3.39Å
308G94.5Very high92Very high15 Ų1556 Ų5616%0.15529%0.289CS..THydrogen-bonded Turntrans50.3-147.2-176.700000113A271 D273 K310A271-G308 WeakPolarHBondContact CB-O 3.31Å; D273-G308 VanDerWaalsContact CG-N 3.31Å; D273-G308 PolarHBondContact OD1-N 3.11Å; D273-G308 PolarHBondContact OD2-N 3.47Å; G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å
309H95.2Very high92Very high19 Ų1956.6 Ų56.69%0.08830%0.295CS..THydrogen-bonded Turntrans-74.3-17.1-172.3-167.756000115.4H185 S186 D274 I276 I277H185-H309 PolarHBondContact NE2-O 3.39Å; S186-H309 VanDerWaalsContact CB-CE1 3.47Å; S186-H309 WeakPolarHBondContact CB-CE1 3.33Å; S186-H309 WeakPolarHBondContact CB-NE2 3.13Å; S186-H309 PolarHBondContact OG-CE1 3.45Å; S186-H309 PolarHBondContact OG-NE2 3.34Å; D274-H309 WeakPolarHBondContact OD1-CB 3.24Å; D274-H309 IonicContact OD1-CG 2.69Å; D274-H309 IonicContact OD1-ND1 3.65Å; D274-H309 PolarHBondContact OD1-ND1 3.19Å; D274-H309 IonicContact OD2-CE1 3.89Å; D274-H309 IonicContact OD2-CG 2.76Å; D274-H309 IonicContact OD2-ND1 2.66Å; D274-H309 PolarHBondContact OD2-ND1 3.21Å; I276-H309 HydrophobicContact CB-CB 4.04Å; I276-H309 HydrophobicContact CG1-CB 3.83Å; I277-H309 WeakPolarHBondContact CG1-CE1 3.34Å
310K95.1Very high92Very high63 Ų6359.3 Ų59.327%0.27431%0.311SS..THydrogen-bonded Turntrans-129.5-17.7-164.2-66.8-178.7-179.3177.90115.1H125 G308H125-K310 HydrophobicContact CB-CB 4.33Å; G308-K310 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 3.21Å
311Y95.8Very high92.1Very high110 Ų11057 Ų5743%0.43130%0.301SS..  trans-116.923.7-163.4-58.2-67.2000113.7H125 Y307 I313 N314H125-Y311 HydrophobicContact CB-CD1 4.25Å; H125-Y311 HydrophobicContact CB-CE1 4.01Å; Y307-Y311 VanDerWaalsContact CD1-O 3.27Å; Y307-Y311 WeakPolarHBondContact CD1-O 3.27Å; Y307-Y311 WeakPolarHBondContact O-CA 3.39Å; Y307-Y311 VanDerWaalsContact O-CB 3.28Å; Y307-Y311 WeakPolarHBondContact O-CB 3.3Å; Y307-Y311 PolarHBondContact O-N 3.5Å; Y311-I313 PolarHBondContact O-N 3.06Å; Y311-I313 VanDerWaalsContact O-N 3.12Å; Y311-N314 WeakPolarHBondContact O-CB 3.18Å; Y311-N314 PolarHBondContact O-N 3.25Å
312I96.9Very high92.3Very high5 Ų557 Ų573%0.02630%0.301CS..G310 helixtrans-59.3-20.716768.6158.6000111.7E213 L269 A271 F301 N314 A315 L318E213-I312 HydrophobicContact CG-CD1 3.58Å; E213-I312 HydrophobicContact CG-CG1 4.14Å; E213-I312 WeakPolarHBondContact OE1-CG1 3.4Å; L269-I312 HydrophobicContact CB-CD1 3.75Å; L269-I312 HydrophobicContact CD1-CD1 4.15Å; A271-I312 HydrophobicContact CB-CG2 3.84Å; F301-I312 HydrophobicContact CD2-CB 4.29Å; F301-I312 HydrophobicContact CD2-CG2 3.95Å; F301-I312 HydrophobicContact CE2-CB 4.38Å; F301-I312 HydrophobicContact CE2-CD1 4Å; F301-I312 HydrophobicContact CE2-CG2 4.44Å; F301-I312 HydrophobicContact CG-CG2 4.23Å; F301-I312 HydrophobicContact CZ-CD1 4.44Å; I312-N314 PolarHBondContact O-N 3.37Å; I312-N314 VanDerWaalsContact O-N 3.08Å; I312-A315 WeakPolarHBondContact O-CB 3.45Å; I312-A315 PolarHBondContact O-N 3.47Å; I312-L318 HydrophobicContact CD1-CD1 4.31Å; I312-L318 HydrophobicContact CG1-CD2 4.47Å
313I96.3Very high92.8Very high22 Ų2258.9 Ų58.911%0.11330%0.303CS..G310 helixtrans-57.4-19.4171.3-170.751.8000113.9L128 M129 M132 Y311 A315 L318L128-I313 HydrophobicContact CB-CG1 3.71Å; L128-I313 HydrophobicContact CB-CG2 4.12Å; L128-I313 HydrophobicContact CD1-CG2 4.17Å; M129-I313 HydrophobicContact CB-CD1 4.43Å; M129-I313 HydrophobicContact CE-CB 4.12Å; M129-I313 HydrophobicContact CE-CD1 4.09Å; M129-I313 HydrophobicContact CE-CG1 4.48Å; M129-I313 HydrophobicContact SD-CD1 3.85Å; M132-I313 HydrophobicContact CB-CD1 3.62Å; M132-I313 HydrophobicContact CE-CD1 4.02Å; M132-I313 HydrophobicContact CG-CD1 3.94Å; Y311-I313 PolarHBondContact O-N 3.06Å; Y311-I313 VanDerWaalsContact O-N 3.12Å; I313-A315 VanDerWaalsContact C-N 3.33Å; I313-L318 HydrophobicContact CD1-CD2 3.95Å
314N95.3Very high94.3Very high100 Ų10060.2 Ų60.254%0.53531%0.309SS..G310 helixtrans-86.9-3.9175-63-23.1000112.9Y307 Y311 I312Y307-N314 HydrophobicContact CD1-CB 4.48Å; Y307-N314 HydrophobicContact CE1-CB 4.38Å; Y311-N314 WeakPolarHBondContact O-CB 3.18Å; Y311-N314 PolarHBondContact O-N 3.25Å; I312-N314 PolarHBondContact O-N 3.37Å; I312-N314 VanDerWaalsContact O-N 3.08Å
315A96.1Very high95.5Very high3 Ų356 Ų563%0.02528%0.281CS..  trans-72.3121.9176.600000109.8F301 Y307 I312 I313 E317 L318F301-A315 HydrophobicContact CD1-CB 3.63Å; F301-A315 HydrophobicContact CE1-CB 3.62Å; Y307-A315 HydrophobicContact CE1-CB 3.8Å; Y307-A315 HydrophobicContact CE2-CB 4.12Å; Y307-A315 WeakPolarHBondContact OH-CA 3.5Å; Y307-A315 WeakPolarHBondContact OH-CB 3.39Å; I312-A315 WeakPolarHBondContact O-CB 3.45Å; I312-A315 PolarHBondContact O-N 3.47Å; I313-A315 VanDerWaalsContact C-N 3.33Å; A315-E317 PolarHBondContact O-N 3.49Å; A315-L318 HydrophobicContact CB-CB 4.29Å; A315-L318 WeakPolarHBondContact O-CB 3.32Å; A315-L318 PolarHBondContact O-N 2.99Å; A315-L318 VanDerWaalsContact O-N 3.16Å
316P94.9Very high96.4Very high104 Ų10450.9 Ų50.968%0.67526%0.258SS*.THydrogen-bonded Turntrans-62.5-26.6-176.324.5-34000113.4P319P316-P319 WeakPolarHBondContact O-CD 3.48Å
317E95.7Very high96.7Very high70 Ų7049.4 Ų49.433%0.32725%0.247SC..THydrogen-bonded Turntrans-81.1-15.317967.6-85.6-16000114.3F301 A315 D320 V321F301-E317 WeakPolarHBondContact CD1-OE1 3.49Å; F301-E317 HydrophobicContact CE1-CG 4.1Å; A315-E317 PolarHBondContact O-N 3.49Å; E317-D320 PolarHBondContact O-N 3.49Å; E317-V321 WeakPolarHBondContact O-CG2 3.29Å; E317-V321 PolarHBondContact O-N 2.9Å; E317-V321 VanDerWaalsContact O-N 3.09Å
318L97.7Very high96.8Very high0 Ų051.9 Ų51.90%026%0.259CS..Hα-helixtrans-58.7-44.3-174.4178.469.3000113.4M129 M132 L269 F301 I312 I313 A315 D320 V321 V322M129-L318 HydrophobicContact CE-CD2 4.01Å; M129-L318 HydrophobicContact SD-CD2 4.39Å; M132-L318 HydrophobicContact CE-CD2 3.95Å; M132-L318 HydrophobicContact CE-CG 4.16Å; L269-L318 HydrophobicContact CD1-CD1 3.92Å; L269-L318 HydrophobicContact CD2-CD1 4.24Å; F301-L318 HydrophobicContact CZ-CD1 3.91Å; I312-L318 HydrophobicContact CD1-CD1 4.31Å; I312-L318 HydrophobicContact CG1-CD2 4.47Å; I313-L318 HydrophobicContact CD1-CD2 3.95Å; A315-L318 HydrophobicContact CB-CB 4.29Å; A315-L318 WeakPolarHBondContact O-CB 3.32Å; A315-L318 PolarHBondContact O-N 2.99Å; A315-L318 VanDerWaalsContact O-N 3.16Å; L318-D320 VanDerWaalsContact C-N 3.31Å; L318-D320 PolarHBondContact O-N 3.44Å; L318-V321 PolarHBondContact O-N 2.88Å; L318-V322 HydrophobicContact CD1-CG2 3.95Å; L318-V322 HydrophobicContact CG-CG2 4.26Å; L318-V322 WeakPolarHBondContact O-CG2 3.23Å; L318-V322 PolarHBondContact O-N 3.44Å
319P98.3Very high96.9Very high39 Ų3951.3 Ų51.325%0.25325%0.252SS..Hα-helixtrans-59.3-40.7179.1-24.635.4000113.2M132 L136 P316 V322 Y323M132-P319 HydrophobicContact CG-CB 4.4Å; M132-P319 HydrophobicContact CG-CG 3.93Å; M132-P319 HydrophobicContact SD-CB 4.19Å; M132-P319 HydrophobicContact SD-CG 4.24Å; L136-P319 WeakPolarHBondContact CD1-O 3.45Å; L136-P319 HydrophobicContact CD2-CB 4.19Å; P316-P319 WeakPolarHBondContact O-CD 3.48Å; P319-V322 PolarHBondContact O-N 3.26Å; P319-Y323 WeakPolarHBondContact O-CB 3.41Å; P319-Y323 PolarHBondContact O-N 3.49Å
320D98.3Very high96.8Very high104 Ų10451.9 Ų51.956%0.55626%0.256SS*.Hα-helixtrans-68.1-44.1179.7-67.9-19.6000110.7E317 L318 V322 Y323 E324E317-D320 PolarHBondContact O-N 3.49Å; L318-D320 VanDerWaalsContact C-N 3.31Å; L318-D320 PolarHBondContact O-N 3.44Å; D320-V322 VanDerWaalsContact C-N 3.33Å; D320-V322 PolarHBondContact O-N 2.95Å; D320-Y323 PolarHBondContact O-N 3.48Å; D320-E324 WeakPolarHBondContact O-CB 3.31Å; D320-E324 WeakPolarHBondContact O-CG 3.2Å; D320-E324 PolarHBondContact O-N 3.41Å
321V98.3Very high96.5Very high23 Ų2351.5 Ų51.514%0.13926%0.261CS..Hα-helixtrans-55.7-46.9173.9164.70000111.7L267 L269 I299 E317 L318 F325L267-V321 HydrophobicContact CD1-CG1 4.3Å; L267-V321 HydrophobicContact CD2-CG1 4.09Å; L269-V321 HydrophobicContact CD2-CG1 3.92Å; I299-V321 HydrophobicContact CG1-CG1 3.75Å; I299-V321 HydrophobicContact CG1-CG2 4.37Å; I299-V321 HydrophobicContact CG2-CG2 4.35Å; E317-V321 WeakPolarHBondContact O-CG2 3.29Å; E317-V321 PolarHBondContact O-N 2.9Å; E317-V321 VanDerWaalsContact O-N 3.09Å; L318-V321 PolarHBondContact O-N 2.88Å; V321-F325 WeakPolarHBondContact O-CB 3.47Å; V321-F325 PolarHBondContact O-N 3.34Å; V321-F325 VanDerWaalsContact O-N 3.09Å
322V98.5Very high95.9Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-67.1-42.9179.81730000110.5M132 L133 L136 L138 W183 L318 P319 D320 F325 V326M132-V322 HydrophobicContact CE-CG2 4.26Å; L133-V322 HydrophobicContact CD2-CG1 4.1Å; L136-V322 HydrophobicContact CD1-CB 3.85Å; L136-V322 HydrophobicContact CD1-CG1 3.65Å; L138-V322 HydrophobicContact CD1-CG1 4.29Å; W183-V322 HydrophobicContact CH2-CG2 3.62Å; W183-V322 HydrophobicContact CZ3-CG1 4.02Å; W183-V322 HydrophobicContact CZ3-CG2 3.69Å; L318-V322 HydrophobicContact CD1-CG2 3.95Å; L318-V322 HydrophobicContact CG-CG2 4.26Å; L318-V322 WeakPolarHBondContact O-CG2 3.23Å; L318-V322 PolarHBondContact O-N 3.44Å; P319-V322 PolarHBondContact O-N 3.26Å; D320-V322 VanDerWaalsContact C-N 3.33Å; D320-V322 PolarHBondContact O-N 2.95Å; V322-F325 PolarHBondContact O-N 3.38Å; V322-V326 HydrophobicContact CG1-CG2 4.33Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 2.83Å
323Y98.3Very high94.6Very high122 Ų12251.2 Ų51.248%0.47826%0.264SS..Hα-helixtrans-59.2-50.2177.2176.5-96.7000111.7P319 D320 F325 V326 Q327P319-Y323 WeakPolarHBondContact O-CB 3.41Å; P319-Y323 PolarHBondContact O-N 3.49Å; D320-Y323 PolarHBondContact O-N 3.48Å; Y323-F325 VanDerWaalsContact C-N 3.34Å; Y323-F325 PolarHBondContact O-N 2.69Å; Y323-V326 PolarHBondContact O-N 2.94Å; Y323-Q327 HydrophobicContact CD1-CG 4.29Å; Y323-Q327 HydrophobicContact CE1-CG 3.86Å; Y323-Q327 HydrophobicContact CE2-CG 4.27Å; Y323-Q327 WeakPolarHBondContact O-CG 3.45Å; Y323-Q327 PolarHBondContact O-N 2.87Å
324E98.2Very high92.9Very high133 Ų13356.1 Ų56.162%0.62129%0.287SS*.Hα-helixtrans-58.7-44.8178.7-73.6178.7179.100111.8D320 Q327 H328D320-E324 WeakPolarHBondContact O-CB 3.31Å; D320-E324 WeakPolarHBondContact O-CG 3.2Å; D320-E324 PolarHBondContact O-N 3.41Å; E324-Q327 PolarHBondContact O-N 3.4Å; E324-H328 PolarHBondContact O-N 2.98Å
325F98.4Very high91.2Very high9 Ų954.9 Ų54.94%0.03928%0.282CS..Hα-helixtrans-64.3-41.2177.3-178.2-106.1000112.5L181 I211 P265 L267 V321 V322 Y323 Q327 H328 C329L181-F325 HydrophobicContact CD2-CE1 4.41Å; I211-F325 HydrophobicContact CD1-CD1 3.91Å; I211-F325 HydrophobicContact CD1-CE1 4.1Å; I211-F325 HydrophobicContact CG1-CD1 3.69Å; I211-F325 HydrophobicContact CG1-CE1 3.47Å; I211-F325 VanDerWaalsContact CG1-CE1 3.47Å; P265-F325 HydrophobicContact CB-CE2 3.85Å; P265-F325 HydrophobicContact CB-CZ 4.11Å; P265-F325 WeakPolarHBondContact O-CZ 3.4Å; L267-F325 HydrophobicContact CB-CD1 3.88Å; L267-F325 HydrophobicContact CB-CD2 3.68Å; L267-F325 HydrophobicContact CB-CE1 3.82Å; L267-F325 HydrophobicContact CB-CE2 3.62Å; L267-F325 HydrophobicContact CB-CG 3.79Å; L267-F325 HydrophobicContact CB-CZ 3.68Å; L267-F325 HydrophobicContact CD2-CB 3.81Å; L267-F325 HydrophobicContact CD2-CD1 3.95Å; L267-F325 HydrophobicContact CD2-CD2 4.38Å; L267-F325 HydrophobicContact CD2-CG 3.78Å; L267-F325 HydrophobicContact CG-CD2 4.44Å; L267-F325 HydrophobicContact CG-CG 4.31Å; V321-F325 WeakPolarHBondContact O-CB 3.47Å; V321-F325 PolarHBondContact O-N 3.34Å; V321-F325 VanDerWaalsContact O-N 3.09Å; V322-F325 PolarHBondContact O-N 3.38Å; Y323-F325 VanDerWaalsContact C-N 3.34Å; Y323-F325 PolarHBondContact O-N 2.69Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 2.92Å; F325-H328 WeakPolarHBondContact O-CB 3.47Å; F325-H328 PolarHBondContact O-N 3.4Å; F325-C329 VanDerWaalsContact CE1-SG 3.58Å; F325-C329 VanDerWaalsContact CZ-SG 3.58Å; F325-C329 PolarHBondContact O-N 3.07Å; F325-C329 PolarHBondContact O-SG 2.75Å; F325-C329 VanDerWaalsContact O-SG 3.35Å
326V97.9Very high89.3Confident6 Ų659.1 Ų59.14%0.03630%0.304CS..Hα-helixtrans-60.8-43.7175.1170.10000110.8P109 L138 L181 V322 Y323 H328 C329 I330P109-V326 HydrophobicContact CB-CG1 4.42Å; P109-V326 HydrophobicContact CG-CG1 4.05Å; L138-V326 HydrophobicContact CD1-CG2 4.27Å; L138-V326 HydrophobicContact CD2-CG1 4.16Å; L138-V326 HydrophobicContact CD2-CG2 4.28Å; L181-V326 HydrophobicContact CD1-CG2 4.45Å; L181-V326 HydrophobicContact CD2-CG2 3.78Å; V322-V326 HydrophobicContact CG1-CG2 4.33Å; V322-V326 VanDerWaalsContact O-CG2 3.23Å; V322-V326 WeakPolarHBondContact O-CG2 3.45Å; V322-V326 PolarHBondContact O-N 2.83Å; Y323-V326 PolarHBondContact O-N 2.94Å; V326-H328 VanDerWaalsContact C-N 3.34Å; V326-H328 PolarHBondContact O-N 2.95Å; V326-C329 PolarHBondContact O-N 3.29Å; V326-I330 HydrophobicContact CG1-CD1 3.76Å; V326-I330 HydrophobicContact CG1-CG1 4.45Å; V326-I330 VanDerWaalsContact O-CG1 3.24Å; V326-I330 WeakPolarHBondContact O-CG1 3.42Å; V326-I330 PolarHBondContact O-N 3.49Å
327Q97Very high87.3Confident83 Ų8360.1 Ų60.139%0.38830%0.299SS..Hα-helixtrans-63.3-40.7176.7-64.9-50.4-54.900112Y323 E324 F325 I330 S331Y323-Q327 HydrophobicContact CD1-CG 4.29Å; Y323-Q327 HydrophobicContact CE1-CG 3.86Å; Y323-Q327 HydrophobicContact CE2-CG 4.27Å; Y323-Q327 WeakPolarHBondContact O-CG 3.45Å; Y323-Q327 PolarHBondContact O-N 2.87Å; E324-Q327 PolarHBondContact O-N 3.4Å; F325-Q327 VanDerWaalsContact C-N 3.34Å; F325-Q327 PolarHBondContact O-N 2.92Å; Q327-I330 PolarHBondContact O-N 3.46Å; Q327-S331 WeakPolarHBondContact O-CB 3.38Å; Q327-S331 PolarHBondContact O-N 2.9Å
328H97Very high85.2Confident60 Ų6060.8 Ų60.828%0.27831%0.312SS..Hα-helixtrans-58.7-50.4174.3178.263.4000111.4D295 E324 F325 V326 I330 S331 Q332D295-H328 IonicContact OD1-NE2 2.69Å; D295-H328 IonicContact OD2-CD2 3.42Å; D295-H328 IonicContact OD2-CE1 2.89Å; D295-H328 IonicContact OD2-NE2 3.64Å; D295-H328 PolarHBondContact OD2-NE2 2.93Å; E324-H328 PolarHBondContact O-N 2.98Å; F325-H328 WeakPolarHBondContact O-CB 3.47Å; F325-H328 PolarHBondContact O-N 3.4Å; V326-H328 VanDerWaalsContact C-N 3.34Å; V326-H328 PolarHBondContact O-N 2.95Å; H328-I330 PolarHBondContact O-N 3.44Å; H328-S331 PolarHBondContact O-N 3.27Å; H328-S331 VanDerWaalsContact O-N 3.15Å; H328-S331 PolarHBondContact O-OG 3.49Å; H328-Q332 WeakPolarHBondContact O-CG 3.28Å; H328-Q332 PolarHBondContact O-N 2.98Å; H328-Q332 VanDerWaalsContact O-N 3.12Å
329C96.1Very high82.9Confident2 Ų267.1 Ų67.11%0.01435%0.345CS..Hα-helixtrans-55.7-46.5176.3-73.10000113A208 F325 V326 S331 Q332 D333A208-C329 HydrophobicContact CB-CB 4.2Å; A208-C329 VanDerWaalsContact O-CB 3.28Å; A208-C329 WeakPolarHBondContact O-CB 3.48Å; A208-C329 PolarHBondContact O-SG 2.85Å; F325-C329 VanDerWaalsContact CE1-SG 3.58Å; F325-C329 VanDerWaalsContact CZ-SG 3.58Å; F325-C329 PolarHBondContact O-N 3.07Å; F325-C329 PolarHBondContact O-SG 2.75Å; F325-C329 VanDerWaalsContact O-SG 3.35Å; V326-C329 PolarHBondContact O-N 3.29Å; C329-S331 VanDerWaalsContact C-N 3.32Å; C329-S331 PolarHBondContact O-N 2.95Å; C329-Q332 PolarHBondContact O-N 3.3Å; C329-D333 PolarHBondContact O-N 3.28Å; C329-D333 VanDerWaalsContact O-N 3.15Å
330I91.8Very high80.4Confident32 Ų3271.6 Ų71.616%0.16439%0.386CS..Hα-helixtrans-61.5-42.3178.1-67.6166.8000110.9P109 P179 V326 Q327 H328 Q332 D333 H334P109-I330 HydrophobicContact CG-CD1 3.85Å; P179-I330 HydrophobicContact CG-CG1 4.02Å; V326-I330 HydrophobicContact CG1-CD1 3.76Å; V326-I330 HydrophobicContact CG1-CG1 4.45Å; V326-I330 VanDerWaalsContact O-CG1 3.24Å; V326-I330 WeakPolarHBondContact O-CG1 3.42Å; V326-I330 PolarHBondContact O-N 3.49Å; Q327-I330 PolarHBondContact O-N 3.46Å; H328-I330 PolarHBondContact O-N 3.44Å; I330-Q332 VanDerWaalsContact C-N 3.32Å; I330-Q332 PolarHBondContact O-N 2.89Å; I330-D333 PolarHBondContact O-N 3.38Å; I330-H334 PolarHBondContact O-CD2 3.18Å; I330-H334 PolarHBondContact O-N 2.94Å
331S90.1Very high79.5Confident54 Ų5470 Ų7038%0.37838%0.377SS..Hα-helixtrans-63.6-36.6179.678.30000112.8Q327 H328 C329 V335Q327-S331 WeakPolarHBondContact O-CB 3.38Å; Q327-S331 PolarHBondContact O-N 2.9Å; H328-S331 PolarHBondContact O-N 3.27Å; H328-S331 VanDerWaalsContact O-N 3.15Å; H328-S331 PolarHBondContact O-OG 3.49Å; C329-S331 VanDerWaalsContact C-N 3.32Å; C329-S331 PolarHBondContact O-N 2.95Å; S331-V335 WeakPolarHBondContact O-CG2 3.41Å; S331-V335 PolarHBondContact O-N 3.2Å
332Q82.5Confident78.6Confident79 Ų7972.4 Ų72.437%0.36939%0.389SS..Hα-helixtrans-71.3-38.6178.4-64.2-58.3-46.400112.1P265 H328 C329 I330 H334 V335 I336P265-Q332 HydrophobicContact CG-CG 4.23Å; H328-Q332 WeakPolarHBondContact O-CG 3.28Å; H328-Q332 PolarHBondContact O-N 2.98Å; H328-Q332 VanDerWaalsContact O-N 3.12Å; C329-Q332 PolarHBondContact O-N 3.3Å; I330-Q332 VanDerWaalsContact C-N 3.32Å; I330-Q332 PolarHBondContact O-N 2.89Å; Q332-H334 VanDerWaalsContact C-N 3.35Å; Q332-H334 PolarHBondContact O-N 3.44Å; Q332-V335 PolarHBondContact O-N 2.87Å; Q332-I336 WeakPolarHBondContact O-CG1 3.12Å; Q332-I336 PolarHBondContact O-N 2.66Å
333D70.1Confident77.4Confident30 Ų3076.4 Ų76.416%0.1641%0.411CS..Hα-helixtrans-64.4-40.7179.6-154.528000111.3C329 I330 V335 I336 H337C329-D333 PolarHBondContact O-N 3.28Å; C329-D333 VanDerWaalsContact O-N 3.15Å; I330-D333 PolarHBondContact O-N 3.38Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.27Å; D333-I336 PolarHBondContact O-N 2.98Å; D333-H337 PolarHBondContact O-CD2 3.28Å; D333-H337 VanDerWaalsContact O-CD2 3.23Å; D333-H337 PolarHBondContact O-N 3.37Å; D333-H337 VanDerWaalsContact O-N 3.12Å; D333-H337 IonicContact OD1-CD2 3.66Å; D333-H337 IonicContact OD1-NE2 3.02Å
334H61Low76.2Confident126 Ų12673.8 Ų73.858%0.58341%0.407SS*.Hα-helixtrans-62.4-35.2174.8-72.6-50.7000113.4I330 Q332 H337 S338I330-H334 PolarHBondContact O-CD2 3.18Å; I330-H334 PolarHBondContact O-N 2.94Å; Q332-H334 VanDerWaalsContact C-N 3.35Å; Q332-H334 PolarHBondContact O-N 3.44Å; H334-H337 PolarHBondContact O-N 3.46Å; H334-S338 WeakPolarHBondContact O-CB 3.4Å; H334-S338 PolarHBondContact O-N 2.84Å; H334-S338 PolarHBondContact O-OG 2.78Å
335V59.5Low74.9Confident73 Ų7370.1 Ų70.144%0.44239%0.394SS..Hα-helixtrans-69.4-35.1178.1173.10000111.6S331 Q332 D333 S338 N339S331-V335 WeakPolarHBondContact O-CG2 3.41Å; S331-V335 PolarHBondContact O-N 3.2Å; Q332-V335 PolarHBondContact O-N 2.87Å; D333-V335 VanDerWaalsContact C-N 3.32Å; D333-V335 PolarHBondContact O-N 3.27Å; V335-S338 PolarHBondContact O-OG 2.84Å; V335-N339 WeakPolarHBondContact O-CB 3.47Å; V335-N339 PolarHBondContact O-N 2.99Å; V335-N339 PolarHBondContact O-ND2 3.07Å
336I55.4Low73.3Confident93 Ų9374.1 Ų74.148%0.47742%0.417SS..Hα-helixtrans-69.3-42.7177.2-63.6170.7000110Q332 D333 N339 A340Q332-I336 WeakPolarHBondContact O-CG1 3.12Å; Q332-I336 PolarHBondContact O-N 2.66Å; D333-I336 PolarHBondContact O-N 2.98Å; I336-N339 PolarHBondContact O-N 2.73Å; I336-A340 PolarHBondContact O-N 3.4Å
337H53.2Low71.5Confident125 Ų12579 Ų7958%0.57945%0.445SS*.Hα-helixtrans-74.9-22.8179.4-73.9-61.8000114.6D333 H334D333-H337 PolarHBondContact O-CD2 3.28Å; D333-H337 VanDerWaalsContact O-CD2 3.23Å; D333-H337 PolarHBondContact O-N 3.37Å; D333-H337 VanDerWaalsContact O-N 3.12Å; D333-H337 IonicContact OD1-CD2 3.66Å; D333-H337 IonicContact OD1-NE2 3.02Å; H334-H337 PolarHBondContact O-N 3.46Å
338S52.2Low69.6Low84 Ų8478.7 Ų78.759%0.58745%0.449SS*.Hα-helixtrans-80.8-17173.763.40000113.9H334 V335H334-S338 WeakPolarHBondContact O-CB 3.4Å; H334-S338 PolarHBondContact O-N 2.84Å; H334-S338 PolarHBondContact O-OG 2.78Å; V335-S338 PolarHBondContact O-OG 2.84Å
339N49.4Very low67.3Low132 Ų13280.3 Ų80.371%0.70646%0.463SS*.Hα-helixtrans-108.3-2.2-176.6-70.7-34.5000113.8V335 I336V335-N339 WeakPolarHBondContact O-CB 3.47Å; V335-N339 PolarHBondContact O-N 2.99Å; V335-N339 PolarHBondContact O-ND2 3.07Å; I336-N339 PolarHBondContact O-N 2.73Å
340A46.1Very low64.7Low133 Ų13387.4 Ų87.4100%1.09950%0.504SS*.  trans-100.70170.500000109.7I336I336-A340 PolarHBondContact O-N 3.4Å

Retrieved 340 of 340 residues in 174.5 ms (Link to these results)

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