A0A077Z8Q0_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z8Q0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 346 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
1M33.4Very low55.2Low247 Ų247135.1 Ų135.1100%1.21770%0.703SS**  0132.70-83.1169.3155.800107.7
2T33.3Very low58Low138 Ų138124 Ų12485%0.84765%0.645SS**  trans-61.4130.8-167.4440000112.8A4T2-A4 PolarHBondContact O-N 2.94Å
3K33Very low60.3Low200 Ų200119.8 Ų119.887%0.8763%0.628SS**  trans-54.1107.6167.4-78.6-177.5175.1-179.50108.4E5K3-E5 PolarHBondContact O-N 3.41Å; K3-E5 VanDerWaalsContact O-N 3.13Å
4A35.5Very low62.3Low91 Ų91117.3 Ų117.375%0.75261%0.61SS**  trans-65110.4162.800000106.4T2 Q6T2-A4 PolarHBondContact O-N 2.94Å; A4-Q6 PolarHBondContact O-N 2.92Å
5E38.3Very low64.2Low186 Ų186109.5 Ų109.587%0.86957%0.569SS**  trans-55.1107.6165.5-72177.8154.700106.9K3 K7K3-E5 PolarHBondContact O-N 3.41Å; K3-E5 VanDerWaalsContact O-N 3.13Å; E5-K7 PolarHBondContact O-N 3.21Å
6Q50.6Low65.8Low169 Ų169103.9 Ų103.979%0.7954%0.54SS*.  trans-60.1106.4173.1-83.7179.5-14.200106.8A4 V8A4-Q6 PolarHBondContact O-N 2.92Å; Q6-V8 PolarHBondContact O-N 3.48Å
7K61.3Low67.1Low202 Ų202101.4 Ų101.488%0.87853%0.53SS*.  trans-54.4107.2174.5-165176.3-174.6177.70107.2E5 D9E5-K7 PolarHBondContact O-N 3.21Å; K7-D9 PolarHBondContact O-N 3.05Å
8V68.8Low68.2Low89 Ų8996.3 Ų96.354%0.53951%0.505SS..  trans-58.8131.3-176.8-174.30000108.2Q6 P10 V13Q6-V8 PolarHBondContact O-N 3.48Å; V8-P10 VanDerWaalsContact O-CD 3.31Å; V8-P10 WeakPolarHBondContact O-CD 3.32Å; V8-P10 VanDerWaalsContact O-N 3.14Å; V8-V13 HydrophobicContact CB-CG2 4.2Å; V8-V13 HydrophobicContact CG1-CG2 3.57Å
9D82.5Confident69.3Low46 Ų4691.6 Ų91.625%0.24648%0.48CS..  trans-56.3119.2179.2-173.5-21.5000109.4K7 L11 L12 V13 Y42K7-D9 PolarHBondContact O-N 3.05Å; D9-L11 PolarHBondContact O-N 3.4Å; D9-L11 VanDerWaalsContact OD1-CB 3.28Å; D9-L11 WeakPolarHBondContact OD1-CB 3.49Å; D9-L11 PolarHBondContact OD1-N 3.3Å; D9-L12 HydrophobicContact CB-CB 4.17Å; D9-L12 WeakPolarHBondContact O-CB 3.35Å; D9-L12 PolarHBondContact O-N 3.46Å; D9-V13 PolarHBondContact O-N 3.33Å; D9-Y42 WeakPolarHBondContact CB-OH 3.48Å; D9-Y42 PolarHBondContact OD2-OH 3.17Å
10P84.6Confident70.2Confident87 Ų8790.3 Ų90.357%0.56547%0.473SS*.Hα-helixtrans-54.7-27.1178.8-25.934.4000113.6V8 K14V8-P10 VanDerWaalsContact O-CD 3.31Å; V8-P10 WeakPolarHBondContact O-CD 3.32Å; V8-P10 VanDerWaalsContact O-N 3.14Å; P10-K14 PolarHBondContact O-N 2.93Å
11L85.7Confident71Confident31 Ų3194 Ų9416%0.16248%0.481CS..Hα-helixtrans-67-46.4174.9-73.1-178.4000112.6D9 V13 K14 A15 V58 K60 I100D9-L11 PolarHBondContact O-N 3.4Å; D9-L11 VanDerWaalsContact OD1-CB 3.28Å; D9-L11 WeakPolarHBondContact OD1-CB 3.49Å; D9-L11 PolarHBondContact OD1-N 3.3Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.04Å; L11-K14 PolarHBondContact O-N 2.98Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.43Å; L11-V58 HydrophobicContact CB-CG1 3.94Å; L11-K60 HydrophobicContact CD1-CD 4.37Å; L11-K60 HydrophobicContact CD1-CG 3.89Å; L11-K60 HydrophobicContact CD2-CD 3.99Å; L11-K60 HydrophobicContact CD2-CG 3.57Å; L11-K60 HydrophobicContact CG-CG 4.34Å; L11-I100 HydrophobicContact CD2-CD1 3.48Å; L11-I100 VanDerWaalsContact CD2-CD1 3.48Å; L11-I100 HydrophobicContact CD2-CG1 3.62Å; L11-I100 HydrophobicContact CD2-CG2 4.41Å
12L88.7Confident73.4Confident2 Ų286.7 Ų86.71%0.0145%0.45CS..Hα-helixtrans-62.4-43.1179179.362.8000110.9D9 K14 A15 L16 V29 Y42 I56 V58D9-L12 HydrophobicContact CB-CB 4.17Å; D9-L12 WeakPolarHBondContact O-CB 3.35Å; D9-L12 PolarHBondContact O-N 3.46Å; L12-K14 VanDerWaalsContact C-N 3.29Å; L12-K14 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.26Å; L12-L16 HydrophobicContact CD1-CD1 4.15Å; L12-L16 HydrophobicContact CD1-CD2 4.41Å; L12-L16 HydrophobicContact CD1-CG 4Å; L12-L16 HydrophobicContact CD2-CD1 4.47Å; L12-L16 HydrophobicContact CG-CD1 3.88Å; L12-L16 HydrophobicContact CG-CG 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 3.13Å; L12-V29 HydrophobicContact CD2-CB 4.4Å; L12-V29 HydrophobicContact CD2-CG1 3.6Å; L12-V29 HydrophobicContact CD2-CG2 3.87Å; L12-V29 HydrophobicContact CG-CG2 4.44Å; L12-Y42 HydrophobicContact CB-CE2 4.1Å; L12-Y42 HydrophobicContact CD1-CD2 3.73Å; L12-Y42 HydrophobicContact CD1-CE2 4.07Å; L12-Y42 HydrophobicContact CD1-CG 4.07Å; L12-Y42 HydrophobicContact CD2-CD1 3.57Å; L12-Y42 HydrophobicContact CD2-CD2 4.04Å; L12-Y42 HydrophobicContact CD2-CE1 3.7Å; L12-Y42 HydrophobicContact CD2-CE2 4.14Å; L12-Y42 HydrophobicContact CD2-CG 3.74Å; L12-Y42 HydrophobicContact CG-CD2 4.33Å; L12-Y42 HydrophobicContact CG-CE2 4.33Å; L12-Y42 HydrophobicContact CG-CG 4.48Å; L12-I56 HydrophobicContact CD1-CD1 4.47Å; L12-I56 HydrophobicContact CD1-CG2 3.96Å; L12-V58 HydrophobicContact CD1-CG2 4.03Å
13V88.5Confident75.8Confident70 Ų7082.7 Ų82.742%0.42443%0.426SS..Hα-helixtrans-56.1-45.2178.9177.20000111.5V8 D9 L11 T17V8-V13 HydrophobicContact CB-CG2 4.2Å; V8-V13 HydrophobicContact CG1-CG2 3.57Å; D9-V13 PolarHBondContact O-N 3.33Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.04Å; V13-T17 PolarHBondContact O-N 3.2Å; V13-T17 PolarHBondContact O-OG1 3.41Å
14K88.7Confident78.1Confident84 Ų8478.5 Ų78.537%0.36543%0.428SS..Hα-helixtrans-70-40.7178.3-70.2176.9178.2-170.40112.2P10 L11 L12 L16 T17 S18 D98 I100P10-K14 PolarHBondContact O-N 2.93Å; L11-K14 PolarHBondContact O-N 2.98Å; L12-K14 VanDerWaalsContact C-N 3.29Å; L12-K14 PolarHBondContact O-N 3.49Å; K14-L16 VanDerWaalsContact C-N 3.35Å; K14-L16 PolarHBondContact O-N 3.46Å; K14-T17 PolarHBondContact O-N 3.17Å; K14-S18 PolarHBondContact O-N 2.93Å; K14-D98 HydrophobicContact CD-CB 4.5Å; K14-D98 WeakPolarHBondContact CE-OD2 3.48Å; K14-D98 IonicContact NZ-OD2 2.64Å; K14-D98 PolarHBondContact NZ-OD2 3.19Å; K14-I100 HydrophobicContact CB-CD1 3.33Å; K14-I100 HydrophobicContact CD-CD1 3.3Å; K14-I100 HydrophobicContact CG-CD1 3.93Å
15A89.6Confident80.4Confident0 Ų075.2 Ų75.20%040%0.398CS..Hα-helixtrans-59.2-44.5174.200000111.7L11 L12 S18 L19 I56 V58 I100 Y102L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.43Å; L12-A15 PolarHBondContact O-N 3.26Å; A15-S18 WeakPolarHBondContact O-CB 3.32Å; A15-S18 PolarHBondContact O-N 2.92Å; A15-L19 WeakPolarHBondContact O-CB 3.37Å; A15-L19 PolarHBondContact O-N 3.44Å; A15-I56 HydrophobicContact CB-CD1 4.13Å; A15-V58 HydrophobicContact CB-CG1 3.96Å; A15-V58 HydrophobicContact CB-CG2 3.99Å; A15-I100 HydrophobicContact CB-CG2 4.08Å; A15-Y102 HydrophobicContact CB-CD1 3.8Å; A15-Y102 HydrophobicContact CB-CE1 4.37Å; A15-Y102 HydrophobicContact CB-CG 4.2Å
16L89.9Confident82.7Confident20 Ų2069.2 Ų69.211%0.10537%0.374CS..Hα-helixtrans-65.5-40.5176.8-69170.7000112.6L12 K14 S18 L19 N20 W27 V29 L44L12-L16 HydrophobicContact CD1-CD1 4.15Å; L12-L16 HydrophobicContact CD1-CD2 4.41Å; L12-L16 HydrophobicContact CD1-CG 4Å; L12-L16 HydrophobicContact CD2-CD1 4.47Å; L12-L16 HydrophobicContact CG-CD1 3.88Å; L12-L16 HydrophobicContact CG-CG 4.2Å; L12-L16 WeakPolarHBondContact O-CB 3.47Å; L12-L16 VanDerWaalsContact O-CG 3.27Å; L12-L16 WeakPolarHBondContact O-CG 3.29Å; L12-L16 PolarHBondContact O-N 3.13Å; K14-L16 VanDerWaalsContact C-N 3.35Å; K14-L16 PolarHBondContact O-N 3.46Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 3.48Å; L16-L19 HydrophobicContact CD2-CD2 4.48Å; L16-L19 PolarHBondContact O-N 2.63Å; L16-N20 WeakPolarHBondContact O-CB 3.45Å; L16-N20 VanDerWaalsContact O-CG 3.23Å; L16-N20 PolarHBondContact O-N 2.87Å; L16-N20 PolarHBondContact O-OD1 3.17Å; L16-W27 HydrophobicContact CD2-CB 4.25Å; L16-V29 HydrophobicContact CD1-CG2 3.27Å; L16-V29 HydrophobicContact CD2-CG2 4.44Å; L16-V29 HydrophobicContact CG-CG2 4.42Å; L16-L44 HydrophobicContact CD2-CD1 3.93Å; L16-L44 HydrophobicContact CD2-CD2 3.76Å
17T88.2Confident84.6Confident61 Ų6162.2 Ų62.237%0.37434%0.341SS..Hα-helixtrans-60.8-42.1175.8-570000110.5V13 K14 R21V13-T17 PolarHBondContact O-N 3.2Å; V13-T17 PolarHBondContact O-OG1 3.41Å; K14-T17 PolarHBondContact O-N 3.17Å; T17-R21 WeakPolarHBondContact O-CG 3.3Å
18S87.9Confident85.9Confident10 Ų1058.8 Ų58.87%0.0733%0.326CS..Hα-helixtrans-65.3-45.8173.21760000111.8K14 A15 L16 N20 R21 V22 Y102K14-S18 PolarHBondContact O-N 2.93Å; A15-S18 WeakPolarHBondContact O-CB 3.32Å; A15-S18 PolarHBondContact O-N 2.92Å; L16-S18 VanDerWaalsContact C-N 3.27Å; L16-S18 PolarHBondContact O-N 3.48Å; S18-N20 PolarHBondContact O-N 2.95Å; S18-R21 WeakPolarHBondContact O-CB 3.47Å; S18-R21 PolarHBondContact O-N 3.31Å; S18-V22 WeakPolarHBondContact O-CG2 3.31Å; S18-V22 PolarHBondContact O-N 2.6Å; S18-Y102 PolarHBondContact OG-OH 3.47Å; S18-Y102 VanDerWaalsContact OG-OH 3.04Å
19L88.8Confident86.9Confident7 Ų757 Ų574%0.03731%0.314CS..Hα-helixtrans-60.5-47.4-178.5-179.164.6000111.9A15 L16 R21 V22 V23 W27 L44 Y102 I104A15-L19 WeakPolarHBondContact O-CB 3.37Å; A15-L19 PolarHBondContact O-N 3.44Å; L16-L19 HydrophobicContact CD2-CD2 4.48Å; L16-L19 PolarHBondContact O-N 2.63Å; L19-R21 PolarHBondContact O-N 2.76Å; L19-V22 PolarHBondContact O-N 3.41Å; L19-V23 HydrophobicContact CD1-CB 4.41Å; L19-V23 HydrophobicContact CD1-CG2 3.67Å; L19-V23 HydrophobicContact CG-CG2 4.47Å; L19-V23 PolarHBondContact O-N 3.28Å; L19-W27 HydrophobicContact CD2-CD2 4.42Å; L19-W27 HydrophobicContact CD2-CG 4.02Å; L19-L44 HydrophobicContact CD2-CD1 3.74Å; L19-Y102 WeakPolarHBondContact CA-OH 3.42Å; L19-Y102 HydrophobicContact CB-CE2 4.27Å; L19-Y102 HydrophobicContact CD1-CE2 3.99Å; L19-Y102 PolarHBondContact N-OH 2.8Å; L19-I104 HydrophobicContact CD1-CD1 4.06Å; L19-I104 HydrophobicContact CD1-CG1 3.98Å; L19-I104 HydrophobicContact CD2-CD1 3.81Å
20N87.3Confident87.1Confident65 Ų6556.3 Ų56.335%0.34832%0.318SS..Hα-helixtrans-64-20.7179.3-66.6-3.3000113.3L16 S18 V23L16-N20 WeakPolarHBondContact O-CB 3.45Å; L16-N20 VanDerWaalsContact O-CG 3.23Å; L16-N20 PolarHBondContact O-N 2.87Å; L16-N20 PolarHBondContact O-OD1 3.17Å; S18-N20 PolarHBondContact O-N 2.95Å; N20-V23 CarbonylContact C-O 3.51Å; N20-V23 VanDerWaalsContact O-O 3.11Å
21R86Confident87.1Confident170 Ų17054.8 Ų54.864%0.64231%0.309SS*.Hα-helixtrans-78.8-30.8173-69.4174.6-171.7165.23.2112.3T17 S18 L19 D97T17-R21 WeakPolarHBondContact O-CG 3.3Å; S18-R21 WeakPolarHBondContact O-CB 3.47Å; S18-R21 PolarHBondContact O-N 3.31Å; L19-R21 PolarHBondContact O-N 2.76Å; R21-D97 IonicContact CZ-OD2 3.78Å; R21-D97 IonicContact NH1-OD2 3.77Å; R21-D97 PolarHBondContact NH1-OD2 3.28Å; R21-D97 IonicContact NH2-OD2 3.9Å
22V83.4Confident87.1Confident92 Ų9257 Ų5756%0.55832%0.321SS*.Hα-helixtrans-94.2-34.9-173.8-179.80000111.4S18 L19S18-V22 WeakPolarHBondContact O-CG2 3.31Å; S18-V22 PolarHBondContact O-N 2.6Å; L19-V22 PolarHBondContact O-N 3.41Å
23V83.7Confident86.9Confident55 Ų5559.1 Ų59.133%0.33333%0.334SS..SBendtrans-107.2125.7178.2-177.70000107.7L19 N20 D25 W27L19-V23 HydrophobicContact CD1-CB 4.41Å; L19-V23 HydrophobicContact CD1-CG2 3.67Å; L19-V23 HydrophobicContact CG-CG2 4.47Å; L19-V23 PolarHBondContact O-N 3.28Å; N20-V23 CarbonylContact C-O 3.51Å; N20-V23 VanDerWaalsContact O-O 3.11Å; V23-D25 HydrophobicContact CG1-CB 3.92Å; V23-D25 PolarHBondContact O-N 3.05Å; V23-W27 HydrophobicContact CG1-CZ2 4.39Å
24A82.5Confident86.6Confident112 Ų11258.1 Ų58.193%0.92633%0.33SS*.SBendtrans-74.657.117700000111.6
25D83.4Confident86.1Confident21 Ų2159.4 Ų59.411%0.11234%0.337CS..SBendtrans-151.6158.8179.1-160.31000109.4V23 S46 T48V23-D25 HydrophobicContact CG1-CB 3.92Å; V23-D25 PolarHBondContact O-N 3.05Å; D25-S46 VanDerWaalsContact CG-OG 3.26Å; D25-S46 PolarHBondContact OD1-OG 3.44Å; D25-S46 WeakPolarHBondContact OD2-CB 3.25Å; D25-S46 PolarHBondContact OD2-OG 2.85Å; D25-T48 WeakPolarHBondContact OD1-CB 3.48Å; D25-T48 WeakPolarHBondContact OD1-CG2 3.3Å; D25-T48 PolarHBondContact OD1-N 2.97Å; D25-T48 PolarHBondContact OD1-OG1 3.1Å; D25-T48 PolarHBondContact OD2-OG1 3.32Å
26T86.4Confident85.2Confident61 Ų6161 Ų6137%0.37435%0.352SS..  trans-111.9139.1172.550.80000109.6E47T26-E47 VanDerWaalsContact CB-OE2 3.26Å; T26-E47 WeakPolarHBondContact CB-OE2 3.19Å; T26-E47 WeakPolarHBondContact O-CB 3.42Å; T26-E47 WeakPolarHBondContact O-CG 3.48Å; T26-E47 PolarHBondContact O-N 3.31Å; T26-E47 WeakPolarHBondContact OG1-CB 3.33Å; T26-E47 PolarHBondContact OG1-OE2 2.87Å
27W89.8Confident84Confident22 Ų2264.1 Ų64.18%0.08338%0.376CS..EExtended strand (participates in β ladder)trans-116.5122.2-172.2-62.390.3000111.2L16 L19 V23 L44 H52 V54L16-W27 HydrophobicContact CD2-CB 4.25Å; L19-W27 HydrophobicContact CD2-CD2 4.42Å; L19-W27 HydrophobicContact CD2-CG 4.02Å; V23-W27 HydrophobicContact CG1-CZ2 4.39Å; W27-L44 HydrophobicContact CB-CB 4.37Å; W27-L44 HydrophobicContact CB-CD1 4.23Å; W27-L44 HydrophobicContact CD2-CB 4.32Å; W27-L44 HydrophobicContact CD2-CD1 4.36Å; W27-L44 HydrophobicContact CE3-CB 3.69Å; W27-L44 HydrophobicContact CE3-CD1 4.47Å; W27-L44 HydrophobicContact CG-CD1 4.27Å; W27-L44 HydrophobicContact CZ3-CB 4.37Å; W27-H52 AromaticContact CH2-CD2 3.54Å; W27-H52 AromaticContact CH2-NE2 3.72Å; W27-V54 HydrophobicContact CE3-CG2 4.11Å; W27-V54 HydrophobicContact CH2-CG1 4.22Å; W27-V54 HydrophobicContact CH2-CG2 3.84Å; W27-V54 HydrophobicContact CZ3-CG1 4.35Å; W27-V54 HydrophobicContact CZ3-CG2 3.53Å
28K89.3Confident83.1Confident130 Ų13062.1 Ų62.157%0.56536%0.362SS*.EExtended strand (participates in β ladder)trans-81.7128.5167.1-178.1178178.6-179.50109.6G30 L44 I45 E47K28-G30 PolarHBondContact O-N 3.08Å; K28-L44 WeakPolarHBondContact O-CA 3.42Å; K28-I45 PolarHBondContact N-O 3.24Å; K28-I45 PolarHBondContact O-N 3.14Å; K28-E47 HydrophobicContact CB-CG 4.14Å
29V89.7Confident82.7Confident50 Ų5062.3 Ų62.330%0.30337%0.366SS..EExtended strand (participates in β ladder)trans-74.2125.3171.8-173.40000109.4L12 L16 Y42 L44L12-V29 HydrophobicContact CD2-CB 4.4Å; L12-V29 HydrophobicContact CD2-CG1 3.6Å; L12-V29 HydrophobicContact CD2-CG2 3.87Å; L12-V29 HydrophobicContact CG-CG2 4.44Å; L16-V29 HydrophobicContact CD1-CG2 3.27Å; L16-V29 HydrophobicContact CD2-CG2 4.44Å; L16-V29 HydrophobicContact CG-CG2 4.42Å; V29-Y42 HydrophobicContact CG1-CD1 4.47Å; V29-L44 HydrophobicContact CG2-CD2 4.11Å
30G86.1Confident82.7Confident32 Ų3262.4 Ų62.433%0.3337%0.367SS..EExtended strand (participates in β ladder)trans-87.8-141.8169.500000111.8K28 K43K28-G30 PolarHBondContact O-N 3.08Å; G30-K43 PolarHBondContact N-O 3.15Å
31C85.5Confident82.8Confident55 Ų5560.3 Ų60.337%0.37236%0.357SS..EExtended strand (participates in β ladder)trans-76.9161.8175.855.70000112.7V33 K43C31-V33 PolarHBondContact O-N 2.9Å; C31-K43 PolarHBondContact O-N 3.5Å
32I85.9Confident83.1Confident78 Ų7852.7 Ų52.740%0.433%0.328SS..EExtended strand (participates in β ladder)trans-68126.5159.8-60.3175.9000107.1T40 Y42I32-T40 HydrophobicContact CG2-CG2 3.81Å; I32-Y42 HydrophobicContact CD1-CE1 4.24Å; I32-Y42 HydrophobicContact CG1-CD1 3.81Å; I32-Y42 HydrophobicContact CG1-CE1 3.69Å
33V85.2Confident83.6Confident47 Ų4750.6 Ų50.629%0.28531%0.311SS..EExtended strand (participates in β ladder)trans-88.7-40.8178.2176.50000110.4C31 V41 K43 L107C31-V33 PolarHBondContact O-N 2.9Å; V33-V41 HydrophobicContact CB-CB 4.3Å; V33-V41 HydrophobicContact CB-CG1 4.07Å; V33-V41 HydrophobicContact CG1-CG1 4.41Å; V33-V41 PolarHBondContact N-O 3.21Å; V33-K43 HydrophobicContact CG2-CB 3.97Å; V33-L107 HydrophobicContact CG2-CD1 4Å
34S81.1Confident84.1Confident49 Ų4948 Ų4834%0.34330%0.295SS..EExtended strand (participates in β ladder)trans-158.1149.6178.8174.60000110.4T40 V41S34-T40 WeakPolarHBondContact O-CG2 3.49Å; S34-V41 PolarHBondContact N-O 3.28Å; S34-V41 PolarHBondContact O-N 3.2Å
35H79.3Confident84.6Confident111 Ų11144.4 Ų44.451%0.51426%0.26SS..EExtended strand (participates in β ladder)trans-123.6113.9170.9-172.276.4000108.5T40H35-T40 PolarHBondContact CE1-OG1 3.48Å; H35-T40 PolarHBondContact ND1-OG1 3.5Å
36G69Low85Confident32 Ų3243.4 Ų43.433%0.3326%0.255SS..EExtended strand (participates in β ladder)trans-125.7173-17600000112.8F38 G39G36-F38 PolarHBondContact O-N 3.38Å; G36-G39 PolarHBondContact N-O 3.32Å; G36-G39 PolarHBondContact O-N 2.89Å
37S65.6Low85.1Confident87 Ų8746 Ų4661%0.60826%0.263SS*.THydrogen-bonded Turntrans-61.5-23.8176.253.10000113.5
38F68.3Low85.1Confident18 Ų1849.5 Ų49.58%0.07929%0.287CS..THydrogen-bonded Turntrans-97.1-3.1-177.1-54-60.3000114.3G36 D70 L176 T333 R335G36-F38 PolarHBondContact O-N 3.38Å; F38-D70 HydrophobicContact CD1-CB 3.81Å; F38-D70 WeakPolarHBondContact CD1-OD2 3.47Å; F38-D70 HydrophobicContact CE1-CB 4.48Å; F38-L176 HydrophobicContact CE1-CD2 4.42Å; F38-L176 HydrophobicContact CE2-CD2 4.43Å; F38-L176 HydrophobicContact CE2-CG 3.96Å; F38-L176 HydrophobicContact CZ-CD1 4.41Å; F38-L176 HydrophobicContact CZ-CD2 3.66Å; F38-L176 HydrophobicContact CZ-CG 3.7Å; F38-T333 HydrophobicContact CE2-CG2 4.41Å; F38-R335 VanDerWaalsContact CE1-NH1 3.33Å
39G80.6Confident85Confident14 Ų1450 Ų5014%0.14429%0.285CS..EExtended strand (participates in β ladder)trans143.1178.7-177.500000112.8G36 V58G36-G39 PolarHBondContact N-O 3.32Å; G36-G39 PolarHBondContact O-N 2.89Å; G39-V58 WeakPolarHBondContact CA-O 3.19Å
40T87.5Confident84.6Confident9 Ų952.6 Ų52.66%0.05530%0.301CS..EExtended strand (participates in β ladder)trans-108.5136.6177.9-48.80000109.5I32 S34 H35 Y42 K57 V58I32-T40 HydrophobicContact CG2-CG2 3.81Å; S34-T40 WeakPolarHBondContact O-CG2 3.49Å; H35-T40 PolarHBondContact CE1-OG1 3.48Å; H35-T40 PolarHBondContact ND1-OG1 3.5Å; T40-Y42 WeakPolarHBondContact CB-OH 3.02Å; T40-Y42 HydrophobicContact CG2-CD1 4.46Å; T40-Y42 HydrophobicContact CG2-CD2 4.28Å; T40-Y42 HydrophobicContact CG2-CE1 3.79Å; T40-Y42 HydrophobicContact CG2-CE2 3.59Å; T40-Y42 VanDerWaalsContact CG2-OH 3.31Å; T40-Y42 WeakPolarHBondContact CG2-OH 3.29Å; T40-K57 WeakPolarHBondContact O-CA 3.49Å; T40-V58 PolarHBondContact N-O 3.1Å; T40-V58 VanDerWaalsContact N-O 3.1Å; T40-V58 PolarHBondContact O-N 3.38Å
41V91.3Very high84.5Confident22 Ų2256.6 Ų56.613%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-103.6128.1176.2-1720000109.2V33 S34 A55 I56 K57V33-V41 HydrophobicContact CB-CB 4.3Å; V33-V41 HydrophobicContact CB-CG1 4.07Å; V33-V41 HydrophobicContact CG1-CG1 4.41Å; V33-V41 PolarHBondContact N-O 3.21Å; S34-V41 PolarHBondContact N-O 3.28Å; S34-V41 PolarHBondContact O-N 3.2Å; V41-A55 HydrophobicContact CG1-CB 3.98Å; V41-I56 CarbonylContact C-O 3.38Å; V41-I56 VanDerWaalsContact CA-O 3.27Å; V41-I56 WeakPolarHBondContact CA-O 3.43Å; V41-K57 HydrophobicContact CG2-CB 4.03Å; V41-K57 HydrophobicContact CG2-CD 4.29Å; V41-K57 HydrophobicContact CG2-CG 3.94Å
42Y92.4Very high84.6Confident10 Ų1057.3 Ų57.34%0.03931%0.313CS..EExtended strand (participates in β ladder)trans-120.5149.3178.6-52.1-96000110.7D9 L12 V29 I32 T40 A55 I56 V58D9-Y42 WeakPolarHBondContact CB-OH 3.48Å; D9-Y42 PolarHBondContact OD2-OH 3.17Å; L12-Y42 HydrophobicContact CB-CE2 4.1Å; L12-Y42 HydrophobicContact CD1-CD2 3.73Å; L12-Y42 HydrophobicContact CD1-CE2 4.07Å; L12-Y42 HydrophobicContact CD1-CG 4.07Å; L12-Y42 HydrophobicContact CD2-CD1 3.57Å; L12-Y42 HydrophobicContact CD2-CD2 4.04Å; L12-Y42 HydrophobicContact CD2-CE1 3.7Å; L12-Y42 HydrophobicContact CD2-CE2 4.14Å; L12-Y42 HydrophobicContact CD2-CG 3.74Å; L12-Y42 HydrophobicContact CG-CD2 4.33Å; L12-Y42 HydrophobicContact CG-CE2 4.33Å; L12-Y42 HydrophobicContact CG-CG 4.48Å; V29-Y42 HydrophobicContact CG1-CD1 4.47Å; I32-Y42 HydrophobicContact CD1-CE1 4.24Å; I32-Y42 HydrophobicContact CG1-CD1 3.81Å; I32-Y42 HydrophobicContact CG1-CE1 3.69Å; T40-Y42 WeakPolarHBondContact CB-OH 3.02Å; T40-Y42 HydrophobicContact CG2-CD1 4.46Å; T40-Y42 HydrophobicContact CG2-CD2 4.28Å; T40-Y42 HydrophobicContact CG2-CE1 3.79Å; T40-Y42 HydrophobicContact CG2-CE2 3.59Å; T40-Y42 VanDerWaalsContact CG2-OH 3.31Å; T40-Y42 WeakPolarHBondContact CG2-OH 3.29Å; Y42-A55 CarbonylContact O-C 3.52Å; Y42-A55 WeakPolarHBondContact O-CA 3.29Å; Y42-I56 HydrophobicContact CD2-CG2 4.17Å; Y42-I56 HydrophobicContact CG-CG2 4.44Å; Y42-I56 PolarHBondContact N-O 2.93Å; Y42-I56 PolarHBondContact O-N 3.27Å; Y42-V58 HydrophobicContact CD2-CG2 4.29Å; Y42-V58 HydrophobicContact CE2-CB 4.46Å; Y42-V58 HydrophobicContact CE2-CG2 4.26Å
43K92.9Very high84.9Confident48 Ų4856.9 Ų56.921%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-78.5131.4166.3174.3173.1-176.5169.70109.2G30 C31 V33 I45 L107G30-K43 PolarHBondContact N-O 3.15Å; C31-K43 PolarHBondContact O-N 3.5Å; V33-K43 HydrophobicContact CG2-CB 3.97Å; K43-I45 HydrophobicContact CG-CG1 4.36Å; K43-L107 HydrophobicContact CB-CD1 4.22Å; K43-L107 HydrophobicContact CD-CD2 3.8Å; K43-L107 HydrophobicContact CG-CD1 4.3Å; K43-L107 HydrophobicContact CG-CD2 3.83Å
44L93.7Very high85.3Confident0 Ų054.7 Ų54.70%030%0.296CS..EExtended strand (participates in β ladder)trans-113.4143.2167.2-57.2-174.3000110.1L16 L19 W27 K28 V29 Q53 V54 I56 I104L16-L44 HydrophobicContact CD2-CD1 3.93Å; L16-L44 HydrophobicContact CD2-CD2 3.76Å; L19-L44 HydrophobicContact CD2-CD1 3.74Å; W27-L44 HydrophobicContact CB-CB 4.37Å; W27-L44 HydrophobicContact CB-CD1 4.23Å; W27-L44 HydrophobicContact CD2-CB 4.32Å; W27-L44 HydrophobicContact CD2-CD1 4.36Å; W27-L44 HydrophobicContact CE3-CB 3.69Å; W27-L44 HydrophobicContact CE3-CD1 4.47Å; W27-L44 HydrophobicContact CG-CD1 4.27Å; W27-L44 HydrophobicContact CZ3-CB 4.37Å; K28-L44 WeakPolarHBondContact O-CA 3.42Å; V29-L44 HydrophobicContact CG2-CD2 4.11Å; L44-Q53 VanDerWaalsContact O-CA 3.31Å; L44-Q53 WeakPolarHBondContact O-CA 3.43Å; L44-V54 HydrophobicContact CB-CG2 3.8Å; L44-V54 HydrophobicContact CD1-CG2 4.35Å; L44-V54 HydrophobicContact CG-CG2 4.46Å; L44-V54 PolarHBondContact N-O 2.87Å; L44-V54 PolarHBondContact O-N 3.34Å; L44-I56 HydrophobicContact CD1-CB 3.79Å; L44-I56 HydrophobicContact CD1-CD1 4.19Å; L44-I56 HydrophobicContact CD1-CG2 3.7Å; L44-I56 HydrophobicContact CD2-CG2 3.79Å; L44-I56 HydrophobicContact CG-CB 4.08Å; L44-I56 HydrophobicContact CG-CG2 3.57Å; L44-I104 HydrophobicContact CD1-CD1 4.32Å
45I92.6Very high86Confident37 Ų3752.6 Ų52.619%0.1928%0.281CS..EExtended strand (participates in β ladder)trans-123.1124.4176.4-53174000106.7K28 K43 E47 Q53K28-I45 PolarHBondContact N-O 3.24Å; K28-I45 PolarHBondContact O-N 3.14Å; K43-I45 HydrophobicContact CG-CG1 4.36Å; I45-E47 PolarHBondContact O-N 3.41Å; I45-Q53 HydrophobicContact CG1-CG 4.21Å; I45-Q53 HydrophobicContact CG2-CG 4.34Å
46S91.8Very high86.7Confident0 Ų047.3 Ų47.30%026%0.257CS..EExtended strand (participates in β ladder)trans-64.5131.6174.6163.10000109.7D25 T48 R49 T50 H52D25-S46 VanDerWaalsContact CG-OG 3.26Å; D25-S46 PolarHBondContact OD1-OG 3.44Å; D25-S46 WeakPolarHBondContact OD2-CB 3.25Å; D25-S46 PolarHBondContact OD2-OG 2.85Å; S46-T48 PolarHBondContact OG-N 3.31Å; S46-T48 PolarHBondContact OG-OG1 3.18Å; S46-R49 VanDerWaalsContact CB-O 3.29Å; S46-R49 WeakPolarHBondContact CB-O 3.49Å; S46-R49 CarbonylContact O-C 3.56Å; S46-R49 PolarHBondContact OG-N 3.05Å; S46-T50 WeakPolarHBondContact O-CA 3.25Å; S46-T50 PolarHBondContact O-N 2.94Å; S46-H52 PolarHBondContact N-O 3.04Å
47E89.2Confident87.8Confident114 Ų11446.2 Ų46.253%0.53324%0.243SC..SBendtrans-78.1-26.6176.9-66.2-174.116400111.8T26 K28 I45T26-E47 VanDerWaalsContact CB-OE2 3.26Å; T26-E47 WeakPolarHBondContact CB-OE2 3.19Å; T26-E47 WeakPolarHBondContact O-CB 3.42Å; T26-E47 WeakPolarHBondContact O-CG 3.48Å; T26-E47 PolarHBondContact O-N 3.31Å; T26-E47 WeakPolarHBondContact OG1-CB 3.33Å; T26-E47 PolarHBondContact OG1-OE2 2.87Å; K28-E47 HydrophobicContact CB-CG 4.14Å; I45-E47 PolarHBondContact O-N 3.41Å
48T89Confident89.1Confident96 Ų9642.3 Ų42.359%0.58922%0.215SC*.SBendtrans-81.1-27.8174.662.70000112.5D25 S46D25-T48 WeakPolarHBondContact OD1-CB 3.48Å; D25-T48 WeakPolarHBondContact OD1-CG2 3.3Å; D25-T48 PolarHBondContact OD1-N 2.97Å; D25-T48 PolarHBondContact OD1-OG1 3.1Å; D25-T48 PolarHBondContact OD2-OG1 3.32Å; S46-T48 PolarHBondContact OG-N 3.31Å; S46-T48 PolarHBondContact OG-OG1 3.18Å
49R87.9Confident90.1Very high142 Ų14241.7 Ų41.754%0.53621%0.214SC..  trans-137.686.5-178.1-66.5-176.459.1-174.5-3.9110.5S46 D51 H52S46-R49 VanDerWaalsContact CB-O 3.29Å; S46-R49 WeakPolarHBondContact CB-O 3.49Å; S46-R49 CarbonylContact O-C 3.56Å; S46-R49 PolarHBondContact OG-N 3.05Å; R49-D51 IonicContact NH2-OD2 3.66Å; R49-D51 PolarHBondContact O-N 3.11Å; R49-D51 VanDerWaalsContact O-N 3.09Å; R49-H52 HydrophobicContact CB-CB 3.9Å; R49-H52 WeakPolarHBondContact O-CA 3.36Å; R49-H52 VanDerWaalsContact O-CB 3.29Å; R49-H52 WeakPolarHBondContact O-CB 3.32Å; R49-H52 PolarHBondContact O-N 2.94Å
50T81.2Confident90.2Very high103 Ų10348 Ų4863%0.63224%0.238SC*.THydrogen-bonded Turntrans-64.4-19.2-172.356.60000114.7S46 H52S46-T50 WeakPolarHBondContact O-CA 3.25Å; S46-T50 PolarHBondContact O-N 2.94Å; T50-H52 VanDerWaalsContact C-N 3.3Å
51D83.9Confident89.8Confident117 Ų11750.1 Ų50.163%0.62625%0.246SC*.THydrogen-bonded Turntrans-73.4-21.9170.867.5-45000112.7R49 Q53R49-D51 IonicContact NH2-OD2 3.66Å; R49-D51 PolarHBondContact O-N 3.11Å; R49-D51 VanDerWaalsContact O-N 3.09Å; D51-Q53 PolarHBondContact O-N 3.21Å
52H87.8Confident88.9Confident69 Ų6956.8 Ų56.832%0.31927%0.274SS..  trans-87.6107.2-179.9-168.953.3000110.9W27 S46 R49 T50W27-H52 AromaticContact CH2-CD2 3.54Å; W27-H52 AromaticContact CH2-NE2 3.72Å; S46-H52 PolarHBondContact N-O 3.04Å; R49-H52 HydrophobicContact CB-CB 3.9Å; R49-H52 WeakPolarHBondContact O-CA 3.36Å; R49-H52 VanDerWaalsContact O-CB 3.29Å; R49-H52 WeakPolarHBondContact O-CB 3.32Å; R49-H52 PolarHBondContact O-N 2.94Å; T50-H52 VanDerWaalsContact C-N 3.3Å
53Q92.7Very high87.6Confident69 Ų6965.2 Ų65.232%0.32231%0.31SS..EExtended strand (participates in β ladder)trans-123.7138.5-179.2-55.6179.9300109.8L44 I45 D51 L107L44-Q53 VanDerWaalsContact O-CA 3.31Å; L44-Q53 WeakPolarHBondContact O-CA 3.43Å; I45-Q53 HydrophobicContact CG1-CG 4.21Å; I45-Q53 HydrophobicContact CG2-CG 4.34Å; D51-Q53 PolarHBondContact O-N 3.21Å; Q53-L107 HydrophobicContact CB-CD2 3.89Å
54V94.4Very high86Confident1 Ų171.7 Ų71.71%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-135.7163.2-179.7-60.30000110.2W27 L44 I104W27-V54 HydrophobicContact CE3-CG2 4.11Å; W27-V54 HydrophobicContact CH2-CG1 4.22Å; W27-V54 HydrophobicContact CH2-CG2 3.84Å; W27-V54 HydrophobicContact CZ3-CG1 4.35Å; W27-V54 HydrophobicContact CZ3-CG2 3.53Å; L44-V54 HydrophobicContact CB-CG2 3.8Å; L44-V54 HydrophobicContact CD1-CG2 4.35Å; L44-V54 HydrophobicContact CG-CG2 4.46Å; L44-V54 PolarHBondContact N-O 2.87Å; L44-V54 PolarHBondContact O-N 3.34Å; V54-I104 HydrophobicContact CB-CG2 3.97Å; V54-I104 HydrophobicContact CG1-CG2 4.31Å; V54-I104 HydrophobicContact CG2-CG2 3.77Å
55A94.3Very high84.2Confident5 Ų573.7 Ų73.74%0.04136%0.355CS..EExtended strand (participates in β ladder)trans-98.8140.2166.900000110V41 Y42 I104 M105 L107V41-A55 HydrophobicContact CG1-CB 3.98Å; Y42-A55 CarbonylContact O-C 3.52Å; Y42-A55 WeakPolarHBondContact O-CA 3.29Å; A55-I104 WeakPolarHBondContact O-CA 3.37Å; A55-M105 HydrophobicContact CB-CG 4.13Å; A55-M105 PolarHBondContact N-O 3.1Å; A55-M105 PolarHBondContact O-N 3.42Å; A55-L107 HydrophobicContact CB-CD1 4.09Å
56I94.4Very high82.4Confident0 Ų076.1 Ų76.10%038%0.381CS..EExtended strand (participates in β ladder)trans-115.6119.9168.4-173174.6000109.6L12 A15 V41 Y42 L44 V58 Y102 I103 I104L12-I56 HydrophobicContact CD1-CD1 4.47Å; L12-I56 HydrophobicContact CD1-CG2 3.96Å; A15-I56 HydrophobicContact CB-CD1 4.13Å; V41-I56 CarbonylContact C-O 3.38Å; V41-I56 VanDerWaalsContact CA-O 3.27Å; V41-I56 WeakPolarHBondContact CA-O 3.43Å; Y42-I56 HydrophobicContact CD2-CG2 4.17Å; Y42-I56 HydrophobicContact CG-CG2 4.44Å; Y42-I56 PolarHBondContact N-O 2.93Å; Y42-I56 PolarHBondContact O-N 3.27Å; L44-I56 HydrophobicContact CD1-CB 3.79Å; L44-I56 HydrophobicContact CD1-CD1 4.19Å; L44-I56 HydrophobicContact CD1-CG2 3.7Å; L44-I56 HydrophobicContact CD2-CG2 3.79Å; L44-I56 HydrophobicContact CG-CB 4.08Å; L44-I56 HydrophobicContact CG-CG2 3.57Å; I56-V58 HydrophobicContact CD1-CG2 3.82Å; I56-V58 HydrophobicContact CG1-CG2 3.71Å; I56-V58 HydrophobicContact CG2-CG2 4.43Å; I56-Y102 HydrophobicContact CD1-CD2 3.99Å; I56-Y102 HydrophobicContact CD1-CG 4.09Å; I56-Y102 HydrophobicContact CG1-CD2 4.37Å; I56-Y102 HydrophobicContact CG1-CG 4.48Å; I56-I103 CarbonylContact C-O 3.5Å; I56-I103 VanDerWaalsContact CA-O 3.29Å; I56-I103 WeakPolarHBondContact CA-O 3.43Å; I56-I104 HydrophobicContact CB-CD1 3.77Å; I56-I104 HydrophobicContact CD1-CD1 3.71Å; I56-I104 HydrophobicContact CG1-CD1 3.58Å
57K93.3Very high81.1Confident10 Ų1082.2 Ų82.24%0.04341%0.413CS..EExtended strand (participates in β ladder)trans-94.4124.2168-174.2172.5-171.2176.30108.1T40 V41 E74 Y102 I103 M105 D173T40-K57 WeakPolarHBondContact O-CA 3.49Å; V41-K57 HydrophobicContact CG2-CB 4.03Å; V41-K57 HydrophobicContact CG2-CD 4.29Å; V41-K57 HydrophobicContact CG2-CG 3.94Å; K57-E74 WeakPolarHBondContact CD-OE2 3.44Å; K57-E74 WeakPolarHBondContact CE-OE2 3.42Å; K57-E74 IonicContact NZ-OE1 3.72Å; K57-E74 PolarHBondContact NZ-OE1 3.22Å; K57-E74 IonicContact NZ-OE2 2.85Å; K57-E74 PolarHBondContact NZ-OE2 2.98Å; K57-Y102 CarbonylContact O-C 3.52Å; K57-Y102 WeakPolarHBondContact O-CA 3.08Å; K57-Y102 WeakPolarHBondContact O-CB 3.38Å; K57-I103 HydrophobicContact CB-CB 4.45Å; K57-I103 PolarHBondContact N-O 3.29Å; K57-I103 PolarHBondContact O-N 3.21Å; K57-M105 HydrophobicContact CB-CE 3.57Å; K57-M105 HydrophobicContact CD-CE 4.3Å; K57-D173 IonicContact NZ-OD1 2.77Å; K57-D173 PolarHBondContact NZ-OD1 3.23Å
58V92.2Very high80.6Confident4 Ų477.9 Ų77.92%0.02440%0.396CS..EExtended strand (participates in β ladder)trans-119.9137.8-177.2-171.60000110.5L11 L12 A15 G39 T40 Y42 I56 I100 E101L11-V58 HydrophobicContact CB-CG1 3.94Å; L12-V58 HydrophobicContact CD1-CG2 4.03Å; A15-V58 HydrophobicContact CB-CG1 3.96Å; A15-V58 HydrophobicContact CB-CG2 3.99Å; G39-V58 WeakPolarHBondContact CA-O 3.19Å; T40-V58 PolarHBondContact N-O 3.1Å; T40-V58 VanDerWaalsContact N-O 3.1Å; T40-V58 PolarHBondContact O-N 3.38Å; Y42-V58 HydrophobicContact CD2-CG2 4.29Å; Y42-V58 HydrophobicContact CE2-CB 4.46Å; Y42-V58 HydrophobicContact CE2-CG2 4.26Å; I56-V58 HydrophobicContact CD1-CG2 3.82Å; I56-V58 HydrophobicContact CG1-CG2 3.71Å; I56-V58 HydrophobicContact CG2-CG2 4.43Å; V58-I100 HydrophobicContact CG1-CG2 3.7Å; V58-E101 WeakPolarHBondContact CA-O 3.42Å
59G88.7Confident80.4Confident6 Ų673.8 Ų73.86%0.06237%0.371CS..EExtended strand (participates in β ladder)trans-150.3179.6172.500000112.8E101G59-E101 PolarHBondContact N-O 3.2Å; G59-E101 PolarHBondContact O-N 3.22Å
60K83.4Confident80.2Confident147 Ų14769.3 Ų69.364%0.63936%0.358SS*.EExtended strand (participates in β ladder)trans-107.7130.2173.1-72.8-174.1179.1177.50110.2L11 K62L11-K60 HydrophobicContact CD1-CD 4.37Å; L11-K60 HydrophobicContact CD1-CG 3.89Å; L11-K60 HydrophobicContact CD2-CD 3.99Å; L11-K60 HydrophobicContact CD2-CG 3.57Å; L11-K60 HydrophobicContact CG-CG 4.34Å; K60-K62 PolarHBondContact O-N 3.31Å
61K79.1Confident80.5Confident53 Ų5364.7 Ų64.723%0.2333%0.329CS..  trans-70.4117.8163.1-163.4172.1-170166.70108.8K63 E72 I95 N99 E101K61-K63 PolarHBondContact O-N 2.89Å; K61-E72 WeakPolarHBondContact CE-OE2 3.47Å; K61-E72 IonicContact NZ-OE1 3.69Å; K61-E72 PolarHBondContact NZ-OE1 3.33Å; K61-E72 IonicContact NZ-OE2 3.55Å; K61-E72 PolarHBondContact NZ-OE2 2.88Å; K61-I95 HydrophobicContact CD-CD1 4.5Å; K61-N99 HydrophobicContact CB-CB 4.15Å; K61-N99 PolarHBondContact N-O 2.76Å; K61-E101 HydrophobicContact CB-CG 3.92Å; K61-E101 WeakPolarHBondContact CD-OE1 3.49Å
62K73Confident80.8Confident162 Ų16260.9 Ų60.970%0.70431%0.307SS*.  trans-66.4133.1173.3-67.3179.3-178.7175.30108.2K60 E64 S65K60-K62 PolarHBondContact O-N 3.31Å; K62-E64 PolarHBondContact O-N 3.07Å; K62-S65 PolarHBondContact O-N 3.11Å; K62-S65 PolarHBondContact O-OG 3.29Å
63K64.5Low80.9Confident187 Ų18757.8 Ų57.881%0.81329%0.293SS*.THydrogen-bonded Turntrans-62.4-23.6179.3-71.5-174.5176.7-176.70112.9K61K61-K63 PolarHBondContact O-N 2.89Å
64E58.7Low80.8Confident183 Ų18354.8 Ų54.886%0.85528%0.279SS*.THydrogen-bonded Turntrans-98-8.5-173.5-65.6166.5-175.400113.8K62 A66K62-E64 PolarHBondContact O-N 3.07Å; E64-A66 PolarHBondContact O-N 2.8Å
65S56.4Low80.7Confident42 Ų4254.8 Ų54.829%0.29428%0.279SS..  trans-76.591.3174.438.80000109.1K62 N67K62-S65 PolarHBondContact O-N 3.11Å; K62-S65 PolarHBondContact O-OG 3.29Å; S65-N67 PolarHBondContact O-N 3.48Å
66A54.3Low80.6Confident88 Ų8855.9 Ų55.973%0.72728%0.283SS*.SBendtrans-62.50.6-161.800000117.4E64E64-A66 PolarHBondContact O-N 2.8Å
67N65.6Low80.5Confident128 Ų12855.9 Ų55.968%0.68428%0.283SS*.SBendtrans-152.2-32.2176.8-78.4-46.4000116.4S65 A343S65-N67 PolarHBondContact O-N 3.48Å; N67-A343 HydrophobicContact CB-CB 4.17Å
68C77.9Confident80.4Confident24 Ų2456.4 Ų56.416%0.16229%0.286CS..  trans-156.4137.9-175-173.80000110.4E72 L341C68-E72 WeakPolarHBondContact CA-OE2 3.3Å; C68-L341 HydrophobicContact CB-CB 4.36Å; C68-L341 HydrophobicContact CB-CD1 4.27Å; C68-L341 WeakPolarHBondContact O-CD1 3.31Å
69S83.9Confident80.4Confident9 Ų963.1 Ų63.16%0.06331%0.311CS..  trans-89.5166.9170.785.60000112.4I71 E72 W73 E101 L341S69-I71 VanDerWaalsContact C-N 3.28Å; S69-I71 PolarHBondContact O-N 3.45Å; S69-I71 PolarHBondContact OG-N 3.12Å; S69-E72 PolarHBondContact N-OE2 3.32Å; S69-E72 PolarHBondContact O-N 3.25Å; S69-E72 WeakPolarHBondContact OG-CB 3.4Å; S69-E72 WeakPolarHBondContact OG-CG 3.06Å; S69-E72 PolarHBondContact OG-N 3.14Å; S69-W73 WeakPolarHBondContact O-CB 3.26Å; S69-W73 PolarHBondContact O-N 2.9Å; S69-E101 WeakPolarHBondContact CB-OE2 3.49Å; S69-E101 PolarHBondContact OG-OE1 3.21Å; S69-E101 PolarHBondContact OG-OE2 3Å; S69-L341 VanDerWaalsContact C-CD1 3.45Å; S69-L341 WeakPolarHBondContact O-CD1 3.22Å
70D83.8Confident80.4Confident49 Ų4966.6 Ų66.626%0.26233%0.325SS..Hα-helixtrans-64.2-34.8176.3-65.2-27.3000112.2F38 E74 R335 L341F38-D70 HydrophobicContact CD1-CB 3.81Å; F38-D70 WeakPolarHBondContact CD1-OD2 3.47Å; F38-D70 HydrophobicContact CE1-CB 4.48Å; D70-E74 WeakPolarHBondContact O-CB 3.44Å; D70-E74 PolarHBondContact O-N 3.44Å; D70-R335 IonicContact OD1-CZ 3.97Å; D70-R335 IonicContact OD1-NE 2.88Å; D70-R335 IonicContact OD1-NH1 3.63Å; D70-R335 PolarHBondContact OD1-NH1 3.3Å; D70-R335 IonicContact OD1-NH2 2.89Å; D70-R335 PolarHBondContact OD1-NH2 3.45Å; D70-R335 IonicContact OD2-CZ 3.96Å; D70-R335 IonicContact OD2-NH1 3.7Å; D70-L341 WeakPolarHBondContact OD1-CD1 3.34Å
71I88.5Confident80.5Confident5 Ų559.9 Ų59.93%0.02630%0.296CS..Hα-helixtrans-70.8-44.7175.5-69.3-177.9000110.3S69 W73 E74 V75 Y93 E101 I103S69-I71 VanDerWaalsContact C-N 3.28Å; S69-I71 PolarHBondContact O-N 3.45Å; S69-I71 PolarHBondContact OG-N 3.12Å; I71-W73 VanDerWaalsContact C-N 3.26Å; I71-W73 PolarHBondContact O-N 3.3Å; I71-E74 PolarHBondContact O-N 3.02Å; I71-V75 HydrophobicContact CG2-CG2 4.48Å; I71-V75 WeakPolarHBondContact O-CB 3.16Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 3.46Å; I71-Y93 HydrophobicContact CG2-CD2 4.24Å; I71-Y93 HydrophobicContact CG2-CE2 3.87Å; I71-E101 HydrophobicContact CB-CB 4.37Å; I71-E101 HydrophobicContact CD1-CB 4.23Å; I71-E101 HydrophobicContact CG2-CB 4.02Å; I71-I103 HydrophobicContact CG2-CD1 3.89Å; I71-I103 HydrophobicContact CG2-CG1 3.7Å
72E89.4Confident79.9Confident37 Ų3760.8 Ų60.817%0.17332%0.32CS..Hα-helixtrans-58.3-41.3174.4-79.7177.2141.500111.8K61 C68 S69 V75 H76 Y93 E101K61-E72 WeakPolarHBondContact CE-OE2 3.47Å; K61-E72 IonicContact NZ-OE1 3.69Å; K61-E72 PolarHBondContact NZ-OE1 3.33Å; K61-E72 IonicContact NZ-OE2 3.55Å; K61-E72 PolarHBondContact NZ-OE2 2.88Å; C68-E72 WeakPolarHBondContact CA-OE2 3.3Å; S69-E72 PolarHBondContact N-OE2 3.32Å; S69-E72 PolarHBondContact O-N 3.25Å; S69-E72 WeakPolarHBondContact OG-CB 3.4Å; S69-E72 WeakPolarHBondContact OG-CG 3.06Å; S69-E72 PolarHBondContact OG-N 3.14Å; E72-V75 WeakPolarHBondContact O-CB 3.26Å; E72-V75 PolarHBondContact O-N 3.17Å; E72-H76 PolarHBondContact O-N 3.21Å; E72-Y93 WeakPolarHBondContact CG-OH 3.2Å; E72-Y93 PolarHBondContact OE1-OH 2.91Å; E72-E101 VanDerWaalsContact CG-OE1 3.28Å; E72-E101 WeakPolarHBondContact CG-OE1 3.49Å
73W89.6Confident79.6Confident5 Ų556.4 Ų56.42%0.01932%0.321CS..Hα-helixtrans-65.1-45.5176.4-178.7-112.7000112.2S69 I71 V75 H76 V77 F148 A177 L341 P342S69-W73 WeakPolarHBondContact O-CB 3.26Å; S69-W73 PolarHBondContact O-N 2.9Å; I71-W73 VanDerWaalsContact C-N 3.26Å; I71-W73 PolarHBondContact O-N 3.3Å; W73-V75 VanDerWaalsContact C-N 3.31Å; W73-V75 PolarHBondContact O-N 2.82Å; W73-H76 HydrophobicContact CE3-CB 4.49Å; W73-H76 AromaticContact CE3-CD2 3.95Å; W73-H76 AromaticContact CH2-CD2 3.9Å; W73-H76 AromaticContact CZ3-CD2 3.42Å; W73-H76 VanDerWaalsContact CZ3-CD2 3.42Å; W73-H76 WeakPolarHBondContact CZ3-CD2 3.44Å; W73-H76 WeakPolarHBondContact O-CB 3.29Å; W73-H76 PolarHBondContact O-N 3.37Å; W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.1Å; W73-V77 VanDerWaalsContact O-CG2 3.27Å; W73-V77 WeakPolarHBondContact O-CG2 3.37Å; W73-V77 PolarHBondContact O-N 2.93Å; W73-F148 AromaticContact CH2-CE1 3.72Å; W73-F148 HydrophobicContact CH2-CE1 3.72Å; W73-F148 HydrophobicContact CZ2-CD1 4.22Å; W73-F148 AromaticContact CZ2-CE1 3.72Å; W73-F148 HydrophobicContact CZ2-CE1 3.72Å; W73-A177 PolarHBondContact NE1-O 3.44Å; W73-L341 HydrophobicContact CB-CD1 4.37Å; W73-L341 HydrophobicContact CB-CD2 3.45Å; W73-L341 VanDerWaalsContact CB-CD2 3.45Å; W73-L341 HydrophobicContact CB-CG 4.48Å; W73-L341 HydrophobicContact CD2-CD2 3.9Å; W73-L341 HydrophobicContact CG-CD2 3.29Å; W73-P342 HydrophobicContact CE3-CB 4.47Å; W73-P342 HydrophobicContact CE3-CG 4.26Å; W73-P342 HydrophobicContact CH2-CB 3.87Å; W73-P342 VanDerWaalsContact CH2-CD 3.5Å; W73-P342 HydrophobicContact CH2-CG 3.25Å; W73-P342 HydrophobicContact CZ2-CG 3.79Å; W73-P342 HydrophobicContact CZ3-CB 3.66Å; W73-P342 VanDerWaalsContact CZ3-CD 3.46Å; W73-P342 HydrophobicContact CZ3-CG 3.5Å; W73-P342 VanDerWaalsContact CZ3-CG 3.5Å
74E91.7Very high79.8Confident5 Ų549.6 Ų49.62%0.02329%0.294CS..Hα-helixtrans-58.2-44.9174.2176.6165.4-149.600111.4K57 D70 I71 H76 V77 M78 I103 D173 L174K57-E74 WeakPolarHBondContact CD-OE2 3.44Å; K57-E74 WeakPolarHBondContact CE-OE2 3.42Å; K57-E74 IonicContact NZ-OE1 3.72Å; K57-E74 PolarHBondContact NZ-OE1 3.22Å; K57-E74 IonicContact NZ-OE2 2.85Å; K57-E74 PolarHBondContact NZ-OE2 2.98Å; D70-E74 WeakPolarHBondContact O-CB 3.44Å; D70-E74 PolarHBondContact O-N 3.44Å; I71-E74 PolarHBondContact O-N 3.02Å; E74-H76 VanDerWaalsContact C-N 3.32Å; E74-H76 PolarHBondContact O-N 3.44Å; E74-V77 PolarHBondContact O-N 2.88Å; E74-M78 HydrophobicContact CG-CG 4.34Å; E74-M78 HydrophobicContact CG-SD 4.04Å; E74-M78 WeakPolarHBondContact O-CB 3.25Å; E74-M78 VanDerWaalsContact O-CG 3.27Å; E74-M78 WeakPolarHBondContact O-CG 3.28Å; E74-M78 PolarHBondContact O-N 3.38Å; E74-I103 HydrophobicContact CB-CD1 4.4Å; E74-I103 HydrophobicContact CG-CD1 4Å; E74-D173 WeakPolarHBondContact OE1-CA 3.4Å; E74-L174 HydrophobicContact CG-CB 4.14Å; E74-L174 PolarHBondContact OE1-N 3.2Å; E74-L174 VanDerWaalsContact OE1-N 3.1Å
75V91.9Very high80.8Confident1 Ų144 Ų441%0.00627%0.272CS..Hα-helixtrans-58.8-43.3175.2168.60000111.6I71 E72 W73 V77 M78 R79 M90 Y93 I103I71-V75 HydrophobicContact CG2-CG2 4.48Å; I71-V75 WeakPolarHBondContact O-CB 3.16Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 3.46Å; E72-V75 WeakPolarHBondContact O-CB 3.26Å; E72-V75 PolarHBondContact O-N 3.17Å; W73-V75 VanDerWaalsContact C-N 3.31Å; W73-V75 PolarHBondContact O-N 2.82Å; V75-V77 PolarHBondContact O-N 2.94Å; V75-M78 PolarHBondContact O-N 3.12Å; V75-R79 HydrophobicContact CG1-CG 4.49Å; V75-R79 VanDerWaalsContact CG1-CZ 3.46Å; V75-R79 WeakPolarHBondContact O-CB 3.4Å; V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.49Å; V75-R79 PolarHBondContact O-N 2.94Å; V75-M90 HydrophobicContact CB-SD 4.41Å; V75-M90 HydrophobicContact CG1-CE 4.29Å; V75-M90 HydrophobicContact CG1-SD 3.94Å; V75-M90 HydrophobicContact CG2-SD 4.15Å; V75-Y93 HydrophobicContact CB-CD2 4.5Å; V75-Y93 HydrophobicContact CB-CG 4.31Å; V75-Y93 HydrophobicContact CG1-CD1 4Å; V75-Y93 HydrophobicContact CG1-CG 3.9Å; V75-Y93 HydrophobicContact CG2-CD1 4.37Å; V75-Y93 HydrophobicContact CG2-CD2 3.48Å; V75-Y93 VanDerWaalsContact CG2-CD2 3.48Å; V75-Y93 HydrophobicContact CG2-CE2 4.12Å; V75-Y93 HydrophobicContact CG2-CG 3.6Å; V75-I103 HydrophobicContact CG2-CD1 3.6Å; V75-I103 HydrophobicContact CG2-CG1 3.62Å
76H91.8Very high82.4Confident29 Ų2944.1 Ų44.113%0.13427%0.266CS..Hα-helixtrans-58.4-47.6175.7179.869.6000111.8E72 W73 E74 R79 H80 R179 E344E72-H76 PolarHBondContact O-N 3.21Å; W73-H76 HydrophobicContact CE3-CB 4.49Å; W73-H76 AromaticContact CE3-CD2 3.95Å; W73-H76 AromaticContact CH2-CD2 3.9Å; W73-H76 AromaticContact CZ3-CD2 3.42Å; W73-H76 VanDerWaalsContact CZ3-CD2 3.42Å; W73-H76 WeakPolarHBondContact CZ3-CD2 3.44Å; W73-H76 WeakPolarHBondContact O-CB 3.29Å; W73-H76 PolarHBondContact O-N 3.37Å; E74-H76 VanDerWaalsContact C-N 3.32Å; E74-H76 PolarHBondContact O-N 3.44Å; H76-R79 PolarHBondContact O-N 3.46Å; H76-H80 AromaticContact CE1-CE1 3.08Å; H76-H80 PolarHBondContact CE1-CE1 3.44Å; H76-H80 AromaticContact CE1-ND1 3.75Å; H76-H80 AromaticContact CE1-NE2 3.93Å; H76-H80 AromaticContact CG-ND1 3.98Å; H76-H80 AromaticContact ND1-CE1 3.36Å; H76-H80 PolarHBondContact ND1-CE1 3.13Å; H76-H80 AromaticContact ND1-ND1 3.66Å; H76-H80 AromaticContact NE2-CE1 3.52Å; H76-H80 AromaticContact NE2-ND1 4Å; H76-H80 PolarHBondContact O-N 3.11Å; H76-H80 VanDerWaalsContact O-N 3.1Å; H76-H80 PolarHBondContact O-ND1 3.26Å; H76-R179 PolarHBondContact NE2-NH2 3.14Å; H76-E344 IonicContact CE1-OE1 2.86Å; H76-E344 PolarHBondContact CE1-OE1 3.39Å; H76-E344 IonicContact ND1-OE1 3.89Å; H76-E344 IonicContact NE2-OE1 2.6Å
77V92.4Very high84.1Confident0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-65.4-43.8179-176.40000110.6W73 E74 V75 R79 H80 Q81 L143 F148 L174 A177W73-V77 HydrophobicContact CD2-CG2 4.38Å; W73-V77 HydrophobicContact CZ2-CG2 4.1Å; W73-V77 VanDerWaalsContact O-CG2 3.27Å; W73-V77 WeakPolarHBondContact O-CG2 3.37Å; W73-V77 PolarHBondContact O-N 2.93Å; E74-V77 PolarHBondContact O-N 2.88Å; V75-V77 PolarHBondContact O-N 2.94Å; V77-R79 VanDerWaalsContact C-N 3.33Å; V77-R79 PolarHBondContact O-N 3.14Å; V77-H80 PolarHBondContact O-N 3.4Å; V77-Q81 PolarHBondContact O-N 2.88Å; V77-L143 HydrophobicContact CG1-CD1 4.18Å; V77-F148 HydrophobicContact CG1-CB 4.35Å; V77-F148 HydrophobicContact CG1-CD1 4.16Å; V77-F148 HydrophobicContact CG1-CD2 4.41Å; V77-F148 HydrophobicContact CG1-CG 4.07Å; V77-F148 HydrophobicContact CG2-CD1 3.85Å; V77-F148 HydrophobicContact CG2-CE1 3.71Å; V77-F148 HydrophobicContact CG2-CZ 4.31Å; V77-L174 HydrophobicContact CB-CB 4.35Å; V77-L174 HydrophobicContact CB-CD1 4.38Å; V77-L174 HydrophobicContact CG1-CB 4.19Å; V77-L174 HydrophobicContact CG1-CD1 3.83Å; V77-L174 HydrophobicContact CG1-CG 4.5Å; V77-A177 HydrophobicContact CG1-CB 4Å; V77-A177 HydrophobicContact CG2-CB 4.02Å
78M92.7Very high85.3Confident20 Ų2035.6 Ų35.610%0.09921%0.21CC..Hα-helixtrans-60.9-38.6176.5-70.5179.489.400112.3E74 V75 Q81 P88 M90 I103 M105 L174E74-M78 HydrophobicContact CG-CG 4.34Å; E74-M78 HydrophobicContact CG-SD 4.04Å; E74-M78 WeakPolarHBondContact O-CB 3.25Å; E74-M78 VanDerWaalsContact O-CG 3.27Å; E74-M78 WeakPolarHBondContact O-CG 3.28Å; E74-M78 PolarHBondContact O-N 3.38Å; V75-M78 PolarHBondContact O-N 3.12Å; M78-Q81 WeakPolarHBondContact O-CB 3.43Å; M78-Q81 PolarHBondContact O-N 3.34Å; M78-P88 WeakPolarHBondContact CE-O 3.45Å; M78-M90 HydrophobicContact CE-CB 3.87Å; M78-M90 HydrophobicContact SD-CB 4.46Å; M78-I103 HydrophobicContact SD-CD1 4.37Å; M78-I103 HydrophobicContact SD-CG2 4.29Å; M78-M105 HydrophobicContact CE-CB 4.33Å; M78-M105 HydrophobicContact CE-SD 4.02Å; M78-L174 HydrophobicContact CG-CD1 3.94Å
79R91.7Very high86Confident146 Ų14640.6 Ų40.655%0.55123%0.229SC*.Hα-helixtrans-64.7-40.8174.3-74.9173.2176.6156.21.2111.9V75 H76 V77 Q81 G82 M90V75-R79 HydrophobicContact CG1-CG 4.49Å; V75-R79 VanDerWaalsContact CG1-CZ 3.46Å; V75-R79 WeakPolarHBondContact O-CB 3.4Å; V75-R79 VanDerWaalsContact O-CG 3.3Å; V75-R79 WeakPolarHBondContact O-CG 3.49Å; V75-R79 PolarHBondContact O-N 2.94Å; H76-R79 PolarHBondContact O-N 3.46Å; V77-R79 VanDerWaalsContact C-N 3.33Å; V77-R79 PolarHBondContact O-N 3.14Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 3.4Å; R79-G82 PolarHBondContact O-N 2.95Å; R79-G82 VanDerWaalsContact O-N 3.08Å; R79-M90 HydrophobicContact CG-CE 3.65Å
80H88.7Confident86.4Confident79 Ų7942.3 Ų42.337%0.36624%0.237SC..Hα-helixtrans-68.1-25.5175.7-75.969.9000113H76 V77 G82 F148 R179H76-H80 AromaticContact CE1-CE1 3.08Å; H76-H80 PolarHBondContact CE1-CE1 3.44Å; H76-H80 AromaticContact CE1-ND1 3.75Å; H76-H80 AromaticContact CE1-NE2 3.93Å; H76-H80 AromaticContact CG-ND1 3.98Å; H76-H80 AromaticContact ND1-CE1 3.36Å; H76-H80 PolarHBondContact ND1-CE1 3.13Å; H76-H80 AromaticContact ND1-ND1 3.66Å; H76-H80 AromaticContact NE2-CE1 3.52Å; H76-H80 AromaticContact NE2-ND1 4Å; H76-H80 PolarHBondContact O-N 3.11Å; H76-H80 VanDerWaalsContact O-N 3.1Å; H76-H80 PolarHBondContact O-ND1 3.26Å; V77-H80 PolarHBondContact O-N 3.4Å; H80-G82 PolarHBondContact O-N 3.34Å; H80-F148 HydrophobicContact CB-CD2 4.42Å; H80-F148 HydrophobicContact CB-CE2 3.66Å; H80-F148 HydrophobicContact CB-CZ 4.38Å; H80-F148 AromaticContact CD2-CE2 3.91Å; H80-F148 AromaticContact CG-CE2 3.74Å; H80-R179 PolarHBondContact NE2-NH2 3.36Å; H80-R179 VanDerWaalsContact NE2-NH2 3.17Å
81Q84.3Confident86.8Confident5 Ų544 Ų442%0.02324%0.243CC..Hα-helixtrans-64.9-25.2170.6-70.6-44.6-61.400112.4V77 M78 R79 G83 N84 T146 L174V77-Q81 PolarHBondContact O-N 2.88Å; M78-Q81 WeakPolarHBondContact O-CB 3.43Å; M78-Q81 PolarHBondContact O-N 3.34Å; R79-Q81 VanDerWaalsContact C-N 3.26Å; R79-Q81 PolarHBondContact O-N 3.4Å; Q81-G83 PolarHBondContact O-N 3.37Å; Q81-N84 HydrophobicContact CB-CB 4.1Å; Q81-N84 WeakPolarHBondContact O-CA 3.35Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 2.9Å; Q81-N84 PolarHBondContact O-ND2 3.05Å; Q81-N84 PolarHBondContact O-OD1 3.35Å; Q81-N84 PolarHBondContact OE1-ND2 2.86Å; Q81-T146 PolarHBondContact NE2-OG1 3.4Å; Q81-L174 HydrophobicContact CG-CD1 4.5Å
82G67.7Low87Confident72 Ų7244.9 Ų44.974%0.74225%0.254SS*.THydrogen-bonded Turntrans5724.2172.900000115.4R79 H80R79-G82 PolarHBondContact O-N 2.95Å; R79-G82 VanDerWaalsContact O-N 3.08Å; H80-G82 PolarHBondContact O-N 3.34Å
83G66.7Low87.1Confident70 Ų7045.3 Ų45.372%0.72225%0.254SS*.THydrogen-bonded Turntrans84.622-172.800000114.7Q81Q81-G83 PolarHBondContact O-N 3.37Å
84N69.2Low87.3Confident45 Ų4548.6 Ų48.624%0.24127%0.27CS..  trans-50.5155.4176.2-87-16.9000113.9Q81 R86 S142 T146Q81-N84 HydrophobicContact CB-CB 4.1Å; Q81-N84 WeakPolarHBondContact O-CA 3.35Å; Q81-N84 WeakPolarHBondContact O-CB 3.49Å; Q81-N84 PolarHBondContact O-N 2.9Å; Q81-N84 PolarHBondContact O-ND2 3.05Å; Q81-N84 PolarHBondContact O-OD1 3.35Å; Q81-N84 PolarHBondContact OE1-ND2 2.86Å; N84-R86 PolarHBondContact O-N 2.93Å; N84-S142 VanDerWaalsContact CB-OG 3.29Å; N84-S142 WeakPolarHBondContact CB-OG 3.43Å; N84-S142 PolarHBondContact ND2-OG 2.78Å; N84-S142 PolarHBondContact OD1-OG 2.91Å; N84-T146 WeakPolarHBondContact ND2-CG2 3.47Å
85V79.7Confident87.1Confident66 Ų6651.3 Ų51.340%0.428%0.284SS..THydrogen-bonded Turntrans-61.9123.5-174.9179.60000110.3Q138V85-Q138 HydrophobicContact CG1-CG 4.21Å
86R89.1Confident86.6Confident44 Ų4451.8 Ų51.817%0.16629%0.289CS..THydrogen-bonded Turntrans72.734.8173.8-47.2-42.6176.3179.4-0.6116.3N84 A139 F168 I169 Y170 I171N84-R86 PolarHBondContact O-N 2.93Å; R86-A139 HydrophobicContact CB-CB 3.7Å; R86-A139 HydrophobicContact CG-CB 4.27Å; R86-F168 VanDerWaalsContact NH1-CD1 3.25Å; R86-I169 HydrophobicContact CB-CD1 4.31Å; R86-I169 WeakPolarHBondContact CB-O 3.47Å; R86-I169 VanDerWaalsContact CD-O 3.25Å; R86-I169 WeakPolarHBondContact CD-O 3.45Å; R86-I169 HydrophobicContact CG-CD1 4.5Å; R86-I169 WeakPolarHBondContact CG-O 3.33Å; R86-Y170 CarbonylContact O-C 3.54Å; R86-Y170 VanDerWaalsContact O-CA 3.3Å; R86-Y170 WeakPolarHBondContact O-CA 3.25Å; R86-I171 PolarHBondContact O-N 2.93Å
87C89.6Confident86.2Confident22 Ų2254.2 Ų54.215%0.14930%0.303CS..SBendtrans-119.6148.7159.8-67.80000109.6K89C87-K89 PolarHBondContact O-N 3.27Å
88P91.2Very high85.8Confident14 Ų1459.6 Ų59.69%0.09133%0.332CS..PPolyproline II helixtrans-57.8135.8173.2-15.122.7000110.8M78 M90 M105 D106 L108 I171 I172M78-P88 WeakPolarHBondContact CE-O 3.45Å; P88-M90 PolarHBondContact O-N 2.91Å; P88-M105 HydrophobicContact CB-CB 4.37Å; P88-M105 HydrophobicContact CB-SD 4.32Å; P88-D106 HydrophobicContact CB-CB 4.26Å; P88-L108 HydrophobicContact CB-CD1 4.45Å; P88-L108 HydrophobicContact CG-CD1 3.8Å; P88-I171 VanDerWaalsContact CD-O 3.29Å; P88-I171 WeakPolarHBondContact CD-O 3.22Å; P88-I172 HydrophobicContact CG-CG2 3.76Å
89K91.6Very high85.4Confident129 Ų12961.6 Ų61.656%0.56134%0.343SS*.PPolyproline II helixtrans-69127.1172.2-173.6-179.9178.9-179.90109.2C87 M105 D106C87-K89 PolarHBondContact O-N 3.27Å; K89-M105 CarbonylContact O-C 3.59Å; K89-M105 WeakPolarHBondContact O-CA 3.42Å; K89-M105 VanDerWaalsContact O-CB 3.28Å; K89-M105 WeakPolarHBondContact O-CB 3.43Å; K89-D106 WeakPolarHBondContact CB-OD2 3.42Å; K89-D106 PolarHBondContact N-OD2 2.82Å; K89-D106 PolarHBondContact O-N 2.69Å
90M92.8Very high85.2Confident45 Ų4554.8 Ų54.822%0.22232%0.317CS..EExtended strand (participates in β ladder)trans-77.4124.2167.6-172.9-179.267.600109.4V75 M78 R79 P88 I103V75-M90 HydrophobicContact CB-SD 4.41Å; V75-M90 HydrophobicContact CG1-CE 4.29Å; V75-M90 HydrophobicContact CG1-SD 3.94Å; V75-M90 HydrophobicContact CG2-SD 4.15Å; M78-M90 HydrophobicContact CE-CB 3.87Å; M78-M90 HydrophobicContact SD-CB 4.46Å; R79-M90 HydrophobicContact CG-CE 3.65Å; P88-M90 PolarHBondContact O-N 2.91Å; M90-I103 HydrophobicContact CG-CG2 3.77Å; M90-I103 HydrophobicContact SD-CG2 4.1Å
91H92Very high85.3Confident84 Ų8451 Ų5139%0.38930%0.3SS..EExtended strand (participates in β ladder)trans-90.1-29.9173.6-55.7-57.7000112.1I104 D106H91-I104 HydrophobicContact CB-CB 4.29Å; H91-I104 HydrophobicContact CB-CG2 4Å; H91-I104 PolarHBondContact N-O 2.86Å; H91-D106 IonicContact CE1-OD1 3.23Å; H91-D106 PolarHBondContact CE1-OD1 3.31Å; H91-D106 PolarHBondContact NE2-N 3.45Å; H91-D106 IonicContact NE2-OD1 2.75Å; H91-D106 PolarHBondContact NE2-OD1 3.48Å; H91-D106 VanDerWaalsContact NE2-OD1 3.15Å
92G92.4Very high85.7Confident25 Ų2551 Ų5126%0.25830%0.3SS..EExtended strand (participates in β ladder)trans-173.2161.2178.700000112.8I103 I104G92-I103 WeakPolarHBondContact O-CA 3.37Å; G92-I104 PolarHBondContact N-O 3.28Å; G92-I104 PolarHBondContact O-N 2.96Å
93Y93.3Very high86.9Confident45 Ų4547.6 Ų47.618%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-139.1140.4170.3160.4-104000108I71 E72 V75 I95 E101 Y102 I103I71-Y93 HydrophobicContact CG2-CD2 4.24Å; I71-Y93 HydrophobicContact CG2-CE2 3.87Å; E72-Y93 WeakPolarHBondContact CG-OH 3.2Å; E72-Y93 PolarHBondContact OE1-OH 2.91Å; V75-Y93 HydrophobicContact CB-CD2 4.5Å; V75-Y93 HydrophobicContact CB-CG 4.31Å; V75-Y93 HydrophobicContact CG1-CD1 4Å; V75-Y93 HydrophobicContact CG1-CG 3.9Å; V75-Y93 HydrophobicContact CG2-CD1 4.37Å; V75-Y93 HydrophobicContact CG2-CD2 3.48Å; V75-Y93 VanDerWaalsContact CG2-CD2 3.48Å; V75-Y93 HydrophobicContact CG2-CE2 4.12Å; V75-Y93 HydrophobicContact CG2-CG 3.6Å; Y93-I95 HydrophobicContact CE1-CG1 4.24Å; Y93-I95 WeakPolarHBondContact OH-CD1 3.09Å; Y93-I95 WeakPolarHBondContact OH-CG1 3.47Å; Y93-E101 HydrophobicContact CE2-CB 4.19Å; Y93-E101 PolarHBondContact OH-OE1 3.12Å; Y93-Y102 WeakPolarHBondContact CA-O 3.33Å; Y93-Y102 VanDerWaalsContact CD2-O 3.29Å; Y93-Y102 WeakPolarHBondContact CD2-O 3.39Å; Y93-I103 HydrophobicContact CD2-CG1 4.31Å
94Q92.1Very high88.2Confident75 Ų7545 Ų4535%0.3523%0.234SC..EExtended strand (participates in β ladder)trans-148.2152177.8-178.661.7-57.800111.5E101 Y102Q94-E101 WeakPolarHBondContact O-CA 3.21Å; Q94-Y102 HydrophobicContact CB-CE1 3.86Å; Q94-Y102 HydrophobicContact CB-CE2 3.82Å; Q94-Y102 VanDerWaalsContact CB-CZ 3.46Å; Q94-Y102 WeakPolarHBondContact CB-OH 3.23Å; Q94-Y102 HydrophobicContact CG-CE1 4.05Å; Q94-Y102 WeakPolarHBondContact CG-OH 3.04Å; Q94-Y102 PolarHBondContact N-O 2.67Å; Q94-Y102 VanDerWaalsContact N-O 3.09Å; Q94-Y102 PolarHBondContact O-N 3.2Å
95I88.1Confident89.4Confident62 Ų6243.6 Ų43.632%0.31823%0.226SC..EExtended strand (participates in β ladder)trans-103.7108.1163.7-49.6-177.1000106.8K61 Y93 I100 E101K61-I95 HydrophobicContact CD-CD1 4.5Å; Y93-I95 HydrophobicContact CE1-CG1 4.24Å; Y93-I95 WeakPolarHBondContact OH-CD1 3.09Å; Y93-I95 WeakPolarHBondContact OH-CG1 3.47Å; I95-I100 CarbonylContact C-O 3.56Å; I95-I100 WeakPolarHBondContact CA-O 3.12Å; I95-E101 HydrophobicContact CG1-CG 4.16Å; I95-E101 HydrophobicContact CG2-CG 4.32Å
96G81.9Confident90Very high11 Ų1143 Ų4311%0.11322%0.22CC..EExtended strand (participates in β ladder)trans-84-171.1175.700000112.9I100G96-I100 PolarHBondContact N-O 3.32Å
97D82.5Confident90.2Very high80 Ų8041.8 Ų41.843%0.42822%0.217SC..G310 helixtrans-55.5149.5175.9-60.7-29.5000111.2R21 N99 I100R21-D97 IonicContact CZ-OD2 3.78Å; R21-D97 IonicContact NH1-OD2 3.77Å; R21-D97 PolarHBondContact NH1-OD2 3.28Å; R21-D97 IonicContact NH2-OD2 3.9Å; D97-N99 VanDerWaalsContact C-N 3.28Å; D97-N99 PolarHBondContact O-N 2.96Å; D97-I100 WeakPolarHBondContact O-CG1 3.05Å; D97-I100 PolarHBondContact O-N 2.89Å
98D84Confident90.4Very high112 Ų11242 Ų4260%0.59922%0.217SC*.G310 helixtrans58.530.6180-59.4-50.2000115.7K14 I100K14-D98 HydrophobicContact CD-CB 4.5Å; K14-D98 WeakPolarHBondContact CE-OD2 3.48Å; K14-D98 IonicContact NZ-OD2 2.64Å; K14-D98 PolarHBondContact NZ-OD2 3.19Å; D98-I100 VanDerWaalsContact C-N 3.25Å; D98-I100 HydrophobicContact CB-CD1 4.43Å; D98-I100 PolarHBondContact O-N 3.05Å
99N84.8Confident90.4Very high63 Ų6342.3 Ų42.334%0.33722%0.223SC..G310 helixtrans6133.1178.7-66.1-22.2000113.2K61 D97K61-N99 HydrophobicContact CB-CB 4.15Å; K61-N99 PolarHBondContact N-O 2.76Å; D97-N99 VanDerWaalsContact C-N 3.28Å; D97-N99 PolarHBondContact O-N 2.96Å
100I87.4Confident90.3Very high2 Ų239.7 Ų39.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-87.8124.6177.6-64.3174.6000108.4L11 K14 A15 V58 I95 G96 D97 D98L11-I100 HydrophobicContact CD2-CD1 3.48Å; L11-I100 VanDerWaalsContact CD2-CD1 3.48Å; L11-I100 HydrophobicContact CD2-CG1 3.62Å; L11-I100 HydrophobicContact CD2-CG2 4.41Å; K14-I100 HydrophobicContact CB-CD1 3.33Å; K14-I100 HydrophobicContact CD-CD1 3.3Å; K14-I100 HydrophobicContact CG-CD1 3.93Å; A15-I100 HydrophobicContact CB-CG2 4.08Å; V58-I100 HydrophobicContact CG1-CG2 3.7Å; I95-I100 CarbonylContact C-O 3.56Å; I95-I100 WeakPolarHBondContact CA-O 3.12Å; G96-I100 PolarHBondContact N-O 3.32Å; D97-I100 WeakPolarHBondContact O-CG1 3.05Å; D97-I100 PolarHBondContact O-N 2.89Å; D98-I100 VanDerWaalsContact C-N 3.25Å; D98-I100 HydrophobicContact CB-CD1 4.43Å; D98-I100 PolarHBondContact O-N 3.05Å
101E90.8Very high90.3Very high1 Ų138.2 Ų38.21%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-108.4138.5-177.5-60.8-173123.200109.3V58 G59 K61 S69 I71 E72 Y93 Q94 I95V58-E101 WeakPolarHBondContact CA-O 3.42Å; G59-E101 PolarHBondContact N-O 3.2Å; G59-E101 PolarHBondContact O-N 3.22Å; K61-E101 HydrophobicContact CB-CG 3.92Å; K61-E101 WeakPolarHBondContact CD-OE1 3.49Å; S69-E101 WeakPolarHBondContact CB-OE2 3.49Å; S69-E101 PolarHBondContact OG-OE1 3.21Å; S69-E101 PolarHBondContact OG-OE2 3Å; I71-E101 HydrophobicContact CB-CB 4.37Å; I71-E101 HydrophobicContact CD1-CB 4.23Å; I71-E101 HydrophobicContact CG2-CB 4.02Å; E72-E101 VanDerWaalsContact CG-OE1 3.28Å; E72-E101 WeakPolarHBondContact CG-OE1 3.49Å; Y93-E101 HydrophobicContact CE2-CB 4.19Å; Y93-E101 PolarHBondContact OH-OE1 3.12Å; Q94-E101 WeakPolarHBondContact O-CA 3.21Å; I95-E101 HydrophobicContact CG1-CG 4.16Å; I95-E101 HydrophobicContact CG2-CG 4.32Å
102Y93Very high90.3Very high5 Ų534.4 Ų34.42%0.0219%0.189CC..EExtended strand (participates in β ladder)trans-144.9147175.961.8-90.7000113.7A15 S18 L19 I56 K57 Y93 Q94 I104A15-Y102 HydrophobicContact CB-CD1 3.8Å; A15-Y102 HydrophobicContact CB-CE1 4.37Å; A15-Y102 HydrophobicContact CB-CG 4.2Å; S18-Y102 PolarHBondContact OG-OH 3.47Å; S18-Y102 VanDerWaalsContact OG-OH 3.04Å; L19-Y102 WeakPolarHBondContact CA-OH 3.42Å; L19-Y102 HydrophobicContact CB-CE2 4.27Å; L19-Y102 HydrophobicContact CD1-CE2 3.99Å; L19-Y102 PolarHBondContact N-OH 2.8Å; I56-Y102 HydrophobicContact CD1-CD2 3.99Å; I56-Y102 HydrophobicContact CD1-CG 4.09Å; I56-Y102 HydrophobicContact CG1-CD2 4.37Å; I56-Y102 HydrophobicContact CG1-CG 4.48Å; K57-Y102 CarbonylContact O-C 3.52Å; K57-Y102 WeakPolarHBondContact O-CA 3.08Å; K57-Y102 WeakPolarHBondContact O-CB 3.38Å; Y93-Y102 WeakPolarHBondContact CA-O 3.33Å; Y93-Y102 VanDerWaalsContact CD2-O 3.29Å; Y93-Y102 WeakPolarHBondContact CD2-O 3.39Å; Q94-Y102 HydrophobicContact CB-CE1 3.86Å; Q94-Y102 HydrophobicContact CB-CE2 3.82Å; Q94-Y102 VanDerWaalsContact CB-CZ 3.46Å; Q94-Y102 WeakPolarHBondContact CB-OH 3.23Å; Q94-Y102 HydrophobicContact CG-CE1 4.05Å; Q94-Y102 WeakPolarHBondContact CG-OH 3.04Å; Q94-Y102 PolarHBondContact N-O 2.67Å; Q94-Y102 VanDerWaalsContact N-O 3.09Å; Q94-Y102 PolarHBondContact O-N 3.2Å; Y102-I104 HydrophobicContact CD2-CD1 4.03Å; Y102-I104 HydrophobicContact CD2-CG1 4.16Å; Y102-I104 HydrophobicContact CE2-CD1 4.39Å; Y102-I104 HydrophobicContact CE2-CG1 4.31Å
103I93.5Very high90.3Very high0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-112.9127.9173.9-49.3176.1000107.6I56 K57 I71 E74 V75 M78 M90 G92 Y93 M105I56-I103 CarbonylContact C-O 3.5Å; I56-I103 VanDerWaalsContact CA-O 3.29Å; I56-I103 WeakPolarHBondContact CA-O 3.43Å; K57-I103 HydrophobicContact CB-CB 4.45Å; K57-I103 PolarHBondContact N-O 3.29Å; K57-I103 PolarHBondContact O-N 3.21Å; I71-I103 HydrophobicContact CG2-CD1 3.89Å; I71-I103 HydrophobicContact CG2-CG1 3.7Å; E74-I103 HydrophobicContact CB-CD1 4.4Å; E74-I103 HydrophobicContact CG-CD1 4Å; V75-I103 HydrophobicContact CG2-CD1 3.6Å; V75-I103 HydrophobicContact CG2-CG1 3.62Å; M78-I103 HydrophobicContact SD-CD1 4.37Å; M78-I103 HydrophobicContact SD-CG2 4.29Å; M90-I103 HydrophobicContact CG-CG2 3.77Å; M90-I103 HydrophobicContact SD-CG2 4.1Å; G92-I103 WeakPolarHBondContact O-CA 3.37Å; Y93-I103 HydrophobicContact CD2-CG1 4.31Å; I103-M105 HydrophobicContact CB-CE 4.42Å; I103-M105 HydrophobicContact CG2-CB 4.45Å; I103-M105 HydrophobicContact CG2-CE 4.44Å
104I94.3Very high90.1Very high14 Ų1433.7 Ų33.77%0.07218%0.182CC..EExtended strand (participates in β ladder)trans-97.9126.5166.7-51.2-63.2000107.7L19 L44 V54 A55 I56 H91 G92 Y102L19-I104 HydrophobicContact CD1-CD1 4.06Å; L19-I104 HydrophobicContact CD1-CG1 3.98Å; L19-I104 HydrophobicContact CD2-CD1 3.81Å; L44-I104 HydrophobicContact CD1-CD1 4.32Å; V54-I104 HydrophobicContact CB-CG2 3.97Å; V54-I104 HydrophobicContact CG1-CG2 4.31Å; V54-I104 HydrophobicContact CG2-CG2 3.77Å; A55-I104 WeakPolarHBondContact O-CA 3.37Å; I56-I104 HydrophobicContact CB-CD1 3.77Å; I56-I104 HydrophobicContact CD1-CD1 3.71Å; I56-I104 HydrophobicContact CG1-CD1 3.58Å; H91-I104 HydrophobicContact CB-CB 4.29Å; H91-I104 HydrophobicContact CB-CG2 4Å; H91-I104 PolarHBondContact N-O 2.86Å; G92-I104 PolarHBondContact N-O 3.28Å; G92-I104 PolarHBondContact O-N 2.96Å; Y102-I104 HydrophobicContact CD2-CD1 4.03Å; Y102-I104 HydrophobicContact CD2-CG1 4.16Å; Y102-I104 HydrophobicContact CE2-CD1 4.39Å; Y102-I104 HydrophobicContact CE2-CG1 4.31Å
105M93.6Very high89.9Confident16 Ų1630.3 Ų30.38%0.07917%0.166CC..EExtended strand (participates in β ladder)trans-148.3171.2-17761-173.5136.900112.2A55 K57 M78 P88 K89 I103 L107A55-M105 HydrophobicContact CB-CG 4.13Å; A55-M105 PolarHBondContact N-O 3.1Å; A55-M105 PolarHBondContact O-N 3.42Å; K57-M105 HydrophobicContact CB-CE 3.57Å; K57-M105 HydrophobicContact CD-CE 4.3Å; M78-M105 HydrophobicContact CE-CB 4.33Å; M78-M105 HydrophobicContact CE-SD 4.02Å; P88-M105 HydrophobicContact CB-CB 4.37Å; P88-M105 HydrophobicContact CB-SD 4.32Å; K89-M105 CarbonylContact O-C 3.59Å; K89-M105 WeakPolarHBondContact O-CA 3.42Å; K89-M105 VanDerWaalsContact O-CB 3.28Å; K89-M105 WeakPolarHBondContact O-CB 3.43Å; I103-M105 HydrophobicContact CB-CE 4.42Å; I103-M105 HydrophobicContact CG2-CB 4.45Å; I103-M105 HydrophobicContact CG2-CE 4.44Å; M105-L107 PolarHBondContact O-N 2.97Å
106D92.8Very high90Very high53 Ų5327.7 Ų27.728%0.28315%0.152SC..EExtended strand (participates in β ladder)trans-51132.3175.7-70.4-27.6000110.5P88 K89 H91P88-D106 HydrophobicContact CB-CB 4.26Å; K89-D106 WeakPolarHBondContact CB-OD2 3.42Å; K89-D106 PolarHBondContact N-OD2 2.82Å; K89-D106 PolarHBondContact O-N 2.69Å; H91-D106 IonicContact CE1-OD1 3.23Å; H91-D106 PolarHBondContact CE1-OD1 3.31Å; H91-D106 PolarHBondContact NE2-N 3.45Å; H91-D106 IonicContact NE2-OD1 2.75Å; H91-D106 PolarHBondContact NE2-OD1 3.48Å; H91-D106 VanDerWaalsContact NE2-OD1 3.15Å
107L93.4Very high90.3Very high20 Ų2029.8 Ų29.811%0.10516%0.159CC..  trans-74.9131.2166.3-176.268.7000109.1V33 K43 Q53 A55 M105 L162V33-L107 HydrophobicContact CG2-CD1 4Å; K43-L107 HydrophobicContact CB-CD1 4.22Å; K43-L107 HydrophobicContact CD-CD2 3.8Å; K43-L107 HydrophobicContact CG-CD1 4.3Å; K43-L107 HydrophobicContact CG-CD2 3.83Å; Q53-L107 HydrophobicContact CB-CD2 3.89Å; A55-L107 HydrophobicContact CB-CD1 4.09Å; M105-L107 PolarHBondContact O-N 2.97Å; L107-L162 HydrophobicContact CB-CD1 4.27Å; L107-L162 HydrophobicContact CD2-CD1 3.96Å; L107-L162 HydrophobicContact CG-CD1 3.88Å; L107-L162 WeakPolarHBondContact O-CD1 3.32Å
108L92.8Very high90.5Very high26 Ų2628.8 Ų28.814%0.13616%0.158CC..  trans-111.3170176.5-63.1179.8000111.2P88 A159 Y170 I172P88-L108 HydrophobicContact CB-CD1 4.45Å; P88-L108 HydrophobicContact CG-CD1 3.8Å; L108-A159 HydrophobicContact CB-CB 4.12Å; L108-A159 HydrophobicContact CD1-CB 3.98Å; L108-Y170 VanDerWaalsContact CD1-CB 3.47Å; L108-Y170 HydrophobicContact CD1-CD1 4.46Å; L108-Y170 HydrophobicContact CD1-CD2 4.37Å; L108-Y170 HydrophobicContact CD1-CG 3.88Å; L108-Y170 HydrophobicContact CD2-CD1 4.11Å; L108-Y170 HydrophobicContact CD2-CD2 3.75Å; L108-Y170 HydrophobicContact CD2-CE1 4.36Å; L108-Y170 HydrophobicContact CD2-CE2 4.06Å; L108-Y170 HydrophobicContact CD2-CG 3.8Å; L108-I172 HydrophobicContact CD1-CG2 3.6Å
109G91.1Very high90.6Very high21 Ų2126.3 Ų26.322%0.21614%0.142CC..  trans-78.9-162.3172.400000112.6L160G109-L160 WeakPolarHBondContact CA-O 3.41Å; G109-L160 PolarHBondContact N-O 3.26Å
110Q89.8Confident90.9Very high74 Ų7430.4 Ų30.435%0.34616%0.164SC..  trans-63.9146.8-177.9-67.1177.6-20.200111.9I114 I115 L160Q110-I114 HydrophobicContact CB-CB 4.36Å; Q110-I114 HydrophobicContact CB-CG2 4.23Å; Q110-I114 HydrophobicContact CG-CG2 4.05Å; Q110-I115 HydrophobicContact CB-CD1 4.1Å; Q110-I115 HydrophobicContact CB-CG1 3.9Å; Q110-L160 PolarHBondContact O-N 3.05Å
111S92.7Very high91Very high14 Ų1432.6 Ų32.610%0.09817%0.173CC..BIsolated β-bridgetrans-73.1155.8166.768.10000111.1N113 I114 I115 G156 I158S111-N113 PolarHBondContact O-N 3.48Å; S111-I114 PolarHBondContact O-N 3Å; S111-I114 VanDerWaalsContact O-N 3.14Å; S111-I114 PolarHBondContact OG-N 3.28Å; S111-I115 WeakPolarHBondContact O-CG1 3.13Å; S111-I115 PolarHBondContact O-N 2.87Å; S111-I115 VanDerWaalsContact O-N 3.09Å; S111-G156 WeakPolarHBondContact CB-O 3.36Å; S111-I158 CarbonylContact C-O 3.42Å; S111-I158 VanDerWaalsContact CA-O 3.23Å; S111-I158 WeakPolarHBondContact CA-O 3.28Å
112L93Very high91.1Very high3 Ų335 Ų352%0.01619%0.193CC..Hα-helixtrans-59.1-28.7175.2-64.6-175.8000111.7I115 Q116 I132 P155 I158 L160 L229L112-I115 HydrophobicContact CD2-CD1 4.31Å; L112-I115 WeakPolarHBondContact O-CB 3.11Å; L112-I115 PolarHBondContact O-N 2.85Å; L112-Q116 WeakPolarHBondContact O-CB 3.29Å; L112-Q116 VanDerWaalsContact O-CG 3.32Å; L112-Q116 WeakPolarHBondContact O-CG 3.3Å; L112-Q116 PolarHBondContact O-N 2.92Å; L112-I132 HydrophobicContact CD1-CD1 4.22Å; L112-I132 HydrophobicContact CD1-CG2 3.73Å; L112-I132 HydrophobicContact CD2-CD1 4.01Å; L112-P155 HydrophobicContact CB-CB 3.9Å; L112-P155 PolarHBondContact N-O 3.45Å; L112-I158 HydrophobicContact CD1-CB 3.78Å; L112-I158 HydrophobicContact CD1-CG1 4.43Å; L112-I158 HydrophobicContact CD1-CG2 3.59Å; L112-I158 HydrophobicContact CG-CB 3.97Å; L112-I158 HydrophobicContact CG-CG2 3.9Å; L112-I158 PolarHBondContact N-O 2.85Å; L112-L160 HydrophobicContact CD2-CD2 4.46Å; L112-L229 HydrophobicContact CD1-CD1 4.27Å
113N91.4Very high91.1Very high12 Ų1239 Ų396%0.06422%0.219CC..Hα-helixtrans-65.5-46.6174.7-172.845.9000112.6S111 I115 Q116 K117 P155S111-N113 PolarHBondContact O-N 3.48Å; N113-I115 VanDerWaalsContact C-N 3.25Å; N113-I115 PolarHBondContact O-N 3.25Å; N113-Q116 PolarHBondContact O-N 3.42Å; N113-K117 WeakPolarHBondContact ND2-CE 3.23Å; N113-K117 PolarHBondContact ND2-NZ 2.92Å; N113-K117 VanDerWaalsContact ND2-NZ 3.18Å; N113-K117 WeakPolarHBondContact O-CB 3.22Å; N113-K117 VanDerWaalsContact O-CG 3.27Å; N113-K117 WeakPolarHBondContact O-CG 3.27Å; N113-K117 PolarHBondContact O-N 3.49Å; N113-P155 HydrophobicContact CB-CB 4.02Å; N113-P155 PolarHBondContact N-O 3.43Å
114I88.9Confident91Very high44 Ų4439.6 Ų39.623%0.22622%0.222CC..Hα-helixtrans-60.9-43.4177.4-69.1170.7000109.6Q110 S111 K117 S118 F324Q110-I114 HydrophobicContact CB-CB 4.36Å; Q110-I114 HydrophobicContact CB-CG2 4.23Å; Q110-I114 HydrophobicContact CG-CG2 4.05Å; S111-I114 PolarHBondContact O-N 3Å; S111-I114 VanDerWaalsContact O-N 3.14Å; S111-I114 PolarHBondContact OG-N 3.28Å; I114-K117 PolarHBondContact O-N 3.46Å; I114-S118 PolarHBondContact O-N 2.82Å; I114-F324 HydrophobicContact CD1-CE1 4.47Å
115I87.4Confident90.9Very high4 Ų441.1 Ų41.12%0.02123%0.23CC..Hα-helixtrans-60.8-50.4176-75.5169000111.8Q110 S111 L112 N113 K117 S118 H119 L160 F312Q110-I115 HydrophobicContact CB-CD1 4.1Å; Q110-I115 HydrophobicContact CB-CG1 3.9Å; S111-I115 WeakPolarHBondContact O-CG1 3.13Å; S111-I115 PolarHBondContact O-N 2.87Å; S111-I115 VanDerWaalsContact O-N 3.09Å; L112-I115 HydrophobicContact CD2-CD1 4.31Å; L112-I115 WeakPolarHBondContact O-CB 3.11Å; L112-I115 PolarHBondContact O-N 2.85Å; N113-I115 VanDerWaalsContact C-N 3.25Å; N113-I115 PolarHBondContact O-N 3.25Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 2.89Å; I115-S118 PolarHBondContact O-N 3.39Å; I115-S118 PolarHBondContact O-OG 3.28Å; I115-H119 PolarHBondContact O-CD2 3.35Å; I115-H119 VanDerWaalsContact O-CD2 3.29Å; I115-H119 PolarHBondContact O-N 3.47Å; I115-L160 HydrophobicContact CD1-CD1 3.59Å; I115-L160 HydrophobicContact CD1-CG 4.06Å; I115-F312 HydrophobicContact CB-CD2 4.33Å; I115-F312 HydrophobicContact CB-CE2 4.37Å; I115-F312 HydrophobicContact CG1-CD2 4.44Å; I115-F312 HydrophobicContact CG2-CD2 3.16Å; I115-F312 HydrophobicContact CG2-CE2 2.93Å; I115-F312 HydrophobicContact CG2-CG 4.11Å; I115-F312 HydrophobicContact CG2-CZ 3.71Å
116Q90.2Very high91Very high6 Ų641.3 Ų41.33%0.02823%0.234CC..Hα-helixtrans-59.8-42.9177.7-76.6175.6-7100111L112 N113 S118 H119 D120 Y121 P155 L229L112-Q116 WeakPolarHBondContact O-CB 3.29Å; L112-Q116 VanDerWaalsContact O-CG 3.32Å; L112-Q116 WeakPolarHBondContact O-CG 3.3Å; L112-Q116 PolarHBondContact O-N 2.92Å; N113-Q116 PolarHBondContact O-N 3.42Å; Q116-S118 PolarHBondContact O-N 3.36Å; Q116-H119 CarbonylContact O-C 3.49Å; Q116-H119 PolarHBondContact O-N 2.98Å; Q116-H119 VanDerWaalsContact O-N 3.14Å; Q116-D120 PolarHBondContact O-N 3.23Å; Q116-Y121 HydrophobicContact CB-CD1 3.7Å; Q116-Y121 HydrophobicContact CB-CE1 3.99Å; Q116-Y121 HydrophobicContact CB-CG 4.4Å; Q116-Y121 WeakPolarHBondContact O-CA 3.46Å; Q116-Y121 PolarHBondContact O-N 2.91Å; Q116-P155 VanDerWaalsContact OE1-CG 3.23Å; Q116-L229 VanDerWaalsContact CD-CD2 3.48Å; Q116-L229 HydrophobicContact CG-CD2 3.9Å
117K88.8Confident91.2Very high56 Ų5638.8 Ų38.824%0.24322%0.221CC..Hα-helixtrans-60.1-41.7177.2-75172.2178.1178.80112.7N113 I114 I115 H119 D120 Y121 D327N113-K117 WeakPolarHBondContact ND2-CE 3.23Å; N113-K117 PolarHBondContact ND2-NZ 2.92Å; N113-K117 VanDerWaalsContact ND2-NZ 3.18Å; N113-K117 WeakPolarHBondContact O-CB 3.22Å; N113-K117 VanDerWaalsContact O-CG 3.27Å; N113-K117 WeakPolarHBondContact O-CG 3.27Å; N113-K117 PolarHBondContact O-N 3.49Å; I114-K117 PolarHBondContact O-N 3.46Å; I115-K117 VanDerWaalsContact C-N 3.29Å; I115-K117 PolarHBondContact O-N 2.89Å; K117-H119 PolarHBondContact O-N 2.84Å; K117-H119 VanDerWaalsContact O-N 3.16Å; K117-D120 PolarHBondContact O-N 2.74Å; K117-D120 VanDerWaalsContact O-N 3.16Å; K117-Y121 VanDerWaalsContact CE-OH 3.31Å; K117-Y121 WeakPolarHBondContact CE-OH 3.43Å; K117-Y121 HydrophobicContact CG-CE1 4.37Å; K117-Y121 HydrophobicContact CG-CE2 3.88Å; K117-Y121 VanDerWaalsContact CG-OH 3.24Å; K117-Y121 WeakPolarHBondContact CG-OH 3.38Å; K117-D327 IonicContact NZ-OD1 3.82Å
118S86.8Confident91.3Very high58 Ų5839.8 Ų39.841%0.40623%0.225SC..Hα-helixtrans-66-15.4178.867.40000113.5I114 I115 Q116I114-S118 PolarHBondContact O-N 2.82Å; I115-S118 PolarHBondContact O-N 3.39Å; I115-S118 PolarHBondContact O-OG 3.28Å; Q116-S118 PolarHBondContact O-N 3.36Å
119H86.5Confident91.5Very high61 Ų6138.6 Ų38.628%0.28222%0.218SC..THydrogen-bonded Turntrans-113.822.5175.8-66.1-75.7000113.5I115 Q116 K117 Y121 A122 F312I115-H119 PolarHBondContact O-CD2 3.35Å; I115-H119 VanDerWaalsContact O-CD2 3.29Å; I115-H119 PolarHBondContact O-N 3.47Å; Q116-H119 CarbonylContact O-C 3.49Å; Q116-H119 PolarHBondContact O-N 2.98Å; Q116-H119 VanDerWaalsContact O-N 3.14Å; K117-H119 PolarHBondContact O-N 2.84Å; K117-H119 VanDerWaalsContact O-N 3.16Å; H119-Y121 PolarHBondContact O-N 2.91Å; H119-Y121 VanDerWaalsContact O-N 3.13Å; H119-A122 HydrophobicContact CB-CB 4.43Å; H119-A122 WeakPolarHBondContact O-CB 3.38Å; H119-A122 PolarHBondContact O-N 3.25Å; H119-F312 AromaticContact CD2-CD1 3.05Å; H119-F312 WeakPolarHBondContact CD2-CD1 3.49Å; H119-F312 AromaticContact CD2-CE1 3.65Å; H119-F312 AromaticContact CD2-CG 3.42Å; H119-F312 VanDerWaalsContact CD2-CG 3.42Å; H119-F312 WeakPolarHBondContact CD2-CG 3.48Å; H119-F312 AromaticContact CE1-CD1 3.48Å; H119-F312 VanDerWaalsContact CE1-CD1 3.48Å; H119-F312 WeakPolarHBondContact CE1-CD1 3.45Å; H119-F312 AromaticContact CE1-CG 3.96Å; H119-F312 AromaticContact CG-CD1 3.51Å; H119-F312 AromaticContact CG-CE1 3.86Å; H119-F312 AromaticContact ND1-CD1 3.73Å; H119-F312 WeakPolarHBondContact NE2-CB 3.36Å; H119-F312 AromaticContact NE2-CD1 3.09Å; H119-F312 WeakPolarHBondContact NE2-CD1 3.22Å; H119-F312 AromaticContact NE2-CG 3.21Å; H119-F312 WeakPolarHBondContact NE2-CG 3.39Å
120D90.1Very high91.8Very high148 Ų14837.6 Ų37.679%0.79121%0.208SC*.THydrogen-bonded Turntrans51.538179.9-164.531000113Q116 K117 A122Q116-D120 PolarHBondContact O-N 3.23Å; K117-D120 PolarHBondContact O-N 2.74Å; K117-D120 VanDerWaalsContact O-N 3.16Å; D120-A122 PolarHBondContact O-N 3.32Å; D120-A122 VanDerWaalsContact O-N 3.11Å
121Y90.1Very high92.2Very high49 Ų4934.1 Ų34.119%0.19219%0.192CC..THydrogen-bonded Turntrans53.729-176.1-59.5-94.9000114Q116 K117 H119 G232Q116-Y121 HydrophobicContact CB-CD1 3.7Å; Q116-Y121 HydrophobicContact CB-CE1 3.99Å; Q116-Y121 HydrophobicContact CB-CG 4.4Å; Q116-Y121 WeakPolarHBondContact O-CA 3.46Å; Q116-Y121 PolarHBondContact O-N 2.91Å; K117-Y121 VanDerWaalsContact CE-OH 3.31Å; K117-Y121 WeakPolarHBondContact CE-OH 3.43Å; K117-Y121 HydrophobicContact CG-CE1 4.37Å; K117-Y121 HydrophobicContact CG-CE2 3.88Å; K117-Y121 VanDerWaalsContact CG-OH 3.24Å; K117-Y121 WeakPolarHBondContact CG-OH 3.38Å; H119-Y121 PolarHBondContact O-N 2.91Å; H119-Y121 VanDerWaalsContact O-N 3.13Å; Y121-G232 WeakPolarHBondContact O-CA 3.37Å
122A92.7Very high92.4Very high51 Ų5133.5 Ų33.542%0.42119%0.187SC..PPolyproline II helixtrans-56.6142.8174.200000111.2H119 D120 I124H119-A122 HydrophobicContact CB-CB 4.43Å; H119-A122 WeakPolarHBondContact O-CB 3.38Å; H119-A122 PolarHBondContact O-N 3.25Å; D120-A122 PolarHBondContact O-N 3.32Å; D120-A122 VanDerWaalsContact O-N 3.11Å; A122-I124 PolarHBondContact O-N 3.21Å
123P93.7Very high92.7Very high88 Ų8833.3 Ų33.357%0.57119%0.187SC*.PPolyproline II helixtrans-51.8131.9174.6-28.535.4000112.7V230P123-V230 WeakPolarHBondContact CB-O 3.31Å
124I91.6Very high93Very high13 Ų1335.9 Ų35.97%0.06720%0.195CC..PPolyproline II helixtrans-86.5144.5172.8-59.3-174.5000109.3A122 A126 K128 L229 M311 F312A122-I124 PolarHBondContact O-N 3.21Å; I124-A126 PolarHBondContact O-N 3.49Å; I124-K128 HydrophobicContact CG2-CB 4.13Å; I124-L229 WeakPolarHBondContact CB-O 3.15Å; I124-L229 HydrophobicContact CD1-CB 4.37Å; I124-L229 HydrophobicContact CD1-CD2 3.56Å; I124-L229 HydrophobicContact CD1-CG 4.5Å; I124-L229 PolarHBondContact N-O 3.14Å; I124-M311 HydrophobicContact CB-CE 4.46Å; I124-M311 HydrophobicContact CD1-CE 4.09Å; I124-M311 HydrophobicContact CG2-CE 3.2Å; I124-F312 HydrophobicContact CD1-CZ 3.92Å; I124-F312 HydrophobicContact CG1-CZ 4.04Å
125D92.4Very high93.4Very high46 Ų4633.9 Ų33.925%0.24619%0.185CC..PPolyproline II helixtrans-48.1134.3171.3172.9-103.4000112.2G127 K128 A129D125-G127 VanDerWaalsContact C-N 3.27Å; D125-G127 PolarHBondContact O-N 2.75Å; D125-G127 VanDerWaalsContact OD1-CA 3.29Å; D125-G127 WeakPolarHBondContact OD1-CA 3.49Å; D125-G127 PolarHBondContact OD1-N 3.34Å; D125-K128 HydrophobicContact CB-CB 4.42Å; D125-K128 HydrophobicContact CB-CG 4.27Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 PolarHBondContact OD1-N 2.61Å; D125-A129 PolarHBondContact O-N 3.19Å
126A95.2Very high93.9Very high20 Ų2033.8 Ų33.817%0.16518%0.184CC..Hα-helixtrans-65.7-29.3-173.700000113I124 A130I124-A126 PolarHBondContact O-N 3.49Å; A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.47Å
127G96.5Very high94.3Very high0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-70.8-42.2176.700000111.5D125 A130 N131D125-G127 VanDerWaalsContact C-N 3.27Å; D125-G127 PolarHBondContact O-N 2.75Å; D125-G127 VanDerWaalsContact OD1-CA 3.29Å; D125-G127 WeakPolarHBondContact OD1-CA 3.49Å; D125-G127 PolarHBondContact OD1-N 3.34Å; G127-A130 PolarHBondContact O-N 2.84Å; G127-N131 PolarHBondContact O-N 3.33Å
128K95.6Very high94.7Very high42 Ų4234.3 Ų34.318%0.18319%0.188CC..Hα-helixtrans-65.9-44.1172.6-62.9-160.5174.691.80112.5I124 D125 A130 N131 I132 D304 T307 L308 M311I124-K128 HydrophobicContact CG2-CB 4.13Å; D125-K128 HydrophobicContact CB-CB 4.42Å; D125-K128 HydrophobicContact CB-CG 4.27Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 PolarHBondContact OD1-N 2.61Å; K128-A130 VanDerWaalsContact C-N 3.28Å; K128-A130 PolarHBondContact O-N 3.15Å; K128-N131 WeakPolarHBondContact O-CB 3.49Å; K128-N131 PolarHBondContact O-N 2.75Å; K128-N131 VanDerWaalsContact O-N 3.11Å; K128-I132 WeakPolarHBondContact O-CG1 3.3Å; K128-I132 PolarHBondContact O-N 3.26Å; K128-D304 WeakPolarHBondContact CE-O 3.03Å; K128-D304 PolarHBondContact NZ-O 3.31Å; K128-T307 WeakPolarHBondContact CD-O 3.26Å; K128-T307 WeakPolarHBondContact CE-O 3.49Å; K128-L308 HydrophobicContact CB-CD2 4.36Å; K128-M311 HydrophobicContact CB-CE 3.7Å; K128-M311 HydrophobicContact CB-SD 4.19Å; K128-M311 HydrophobicContact CD-CE 3.64Å; K128-M311 HydrophobicContact CD-CG 3.38Å; K128-M311 HydrophobicContact CD-SD 3.72Å; K128-M311 HydrophobicContact CG-CE 4.34Å
129A96.8Very high95.2Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-58.9-39.917300000111.6D125 I132 G133 L226 L229 V230D125-A129 PolarHBondContact O-N 3.19Å; A129-I132 PolarHBondContact O-N 3.29Å; A129-G133 PolarHBondContact O-N 3.44Å; A129-L226 VanDerWaalsContact O-CD2 3.29Å; A129-L226 WeakPolarHBondContact O-CD2 3.29Å; A129-L229 HydrophobicContact CB-CB 4.43Å; A129-V230 HydrophobicContact CB-CG2 3.55Å
130A98.1Very high95.7Very high0 Ų028.7 Ų28.70%016%0.156CC..Hα-helixtrans-65.5-38.5174.100000112.6A126 G127 K128 G133 R134 W265 C291 K294 M295A126-A130 VanDerWaalsContact O-CB 3.25Å; A126-A130 WeakPolarHBondContact O-CB 3.47Å; A126-A130 PolarHBondContact O-N 3.47Å; G127-A130 PolarHBondContact O-N 2.84Å; K128-A130 VanDerWaalsContact C-N 3.28Å; K128-A130 PolarHBondContact O-N 3.15Å; A130-G133 PolarHBondContact O-N 3.16Å; A130-R134 WeakPolarHBondContact O-CB 3.33Å; A130-R134 PolarHBondContact O-N 3Å; A130-W265 HydrophobicContact CB-CH2 4.09Å; A130-W265 HydrophobicContact CB-CZ2 4.21Å; A130-W265 HydrophobicContact CB-CZ3 4.4Å; A130-C291 HydrophobicContact CB-CB 4.4Å; A130-C291 WeakPolarHBondContact O-CB 3.27Å; A130-K294 HydrophobicContact CB-CB 3.86Å; A130-K294 HydrophobicContact CB-CG 3.82Å; A130-M295 HydrophobicContact CB-CG 3.82Å
131N97.8Very high96Very high2 Ų226.6 Ų26.61%0.01114%0.139CC..Hα-helixtrans-61.4-47.3173.1-175.917.6000111.7G127 K128 G133 R134 Q135 M295 V305 L308G127-N131 PolarHBondContact O-N 3.33Å; K128-N131 WeakPolarHBondContact O-CB 3.49Å; K128-N131 PolarHBondContact O-N 2.75Å; K128-N131 VanDerWaalsContact O-N 3.11Å; N131-G133 VanDerWaalsContact C-N 3.33Å; N131-G133 PolarHBondContact O-N 2.92Å; N131-R134 WeakPolarHBondContact O-CB 3.47Å; N131-R134 PolarHBondContact O-N 3.11Å; N131-R134 PolarHBondContact OD1-NH2 3.44Å; N131-Q135 WeakPolarHBondContact O-CG 3.31Å; N131-Q135 PolarHBondContact O-N 2.82Å; N131-Q135 VanDerWaalsContact O-N 3.11Å; N131-Q135 PolarHBondContact OD1-NE2 3.36Å; N131-Q135 VanDerWaalsContact OD1-NE2 3.1Å; N131-M295 VanDerWaalsContact CA-SD 3.57Å; N131-M295 HydrophobicContact CB-CE 3.65Å; N131-M295 HydrophobicContact CB-CG 4.39Å; N131-M295 HydrophobicContact CB-SD 3.92Å; N131-V305 VanDerWaalsContact CB-O 3.32Å; N131-V305 WeakPolarHBondContact CB-O 3.12Å; N131-V305 PolarHBondContact ND2-O 3.35Å; N131-L308 HydrophobicContact CB-CD2 4.47Å
132I97.5Very high96.3Very high0 Ų025.1 Ų25.10%014%0.136CC..Hα-helixtrans-54.3-52172.7-69.1166.8000109.6L112 K128 A129 R134 Q135 C136 I169 L229 L308 M311L112-I132 HydrophobicContact CD1-CD1 4.22Å; L112-I132 HydrophobicContact CD1-CG2 3.73Å; L112-I132 HydrophobicContact CD2-CD1 4.01Å; K128-I132 WeakPolarHBondContact O-CG1 3.3Å; K128-I132 PolarHBondContact O-N 3.26Å; A129-I132 PolarHBondContact O-N 3.29Å; I132-R134 PolarHBondContact O-N 3.13Å; I132-Q135 PolarHBondContact O-N 3.16Å; I132-Q135 VanDerWaalsContact O-N 3.14Å; I132-C136 PolarHBondContact O-N 2.86Å; I132-C136 PolarHBondContact O-SG 2.91Å; I132-C136 VanDerWaalsContact O-SG 3.34Å; I132-I169 HydrophobicContact CG1-CG2 4.38Å; I132-L229 HydrophobicContact CD1-CD1 4.5Å; I132-L229 HydrophobicContact CG2-CD1 4.3Å; I132-L308 HydrophobicContact CD1-CD2 4.43Å; I132-L308 HydrophobicContact CG1-CD1 3.98Å; I132-L308 HydrophobicContact CG1-CD2 4.01Å; I132-M311 HydrophobicContact CD1-CE 4.37Å
133G98.3Very high96.4Very high0 Ų022.8 Ų22.80%012%0.116CC..Hα-helixtrans-56.4-44.7178.900000113.2A129 A130 N131 Q135 C136 V137A129-G133 PolarHBondContact O-N 3.44Å; A130-G133 PolarHBondContact O-N 3.16Å; N131-G133 VanDerWaalsContact C-N 3.33Å; N131-G133 PolarHBondContact O-N 2.92Å; G133-Q135 VanDerWaalsContact C-N 3.32Å; G133-Q135 PolarHBondContact O-N 3.09Å; G133-C136 PolarHBondContact O-N 3.41Å; G133-V137 VanDerWaalsContact O-CG2 3.28Å; G133-V137 WeakPolarHBondContact O-CG2 3.29Å; G133-V137 PolarHBondContact O-N 3.31Å
134R98.2Very high96.5Very high66 Ų6618.7 Ų18.725%0.2499%0.09CC..Hα-helixtrans-57.6-45.4177-177-165.470.5-171.6-0.4111.7A130 N131 I132 Q138 C291 I292 M295A130-R134 WeakPolarHBondContact O-CB 3.33Å; A130-R134 PolarHBondContact O-N 3Å; N131-R134 WeakPolarHBondContact O-CB 3.47Å; N131-R134 PolarHBondContact O-N 3.11Å; N131-R134 PolarHBondContact OD1-NH2 3.44Å; I132-R134 PolarHBondContact O-N 3.13Å; R134-Q138 PolarHBondContact O-N 2.73Å; R134-C291 HydrophobicContact CB-CB 3.82Å; R134-I292 HydrophobicContact CG-CD1 4.49Å; R134-I292 HydrophobicContact CG-CG1 4.13Å; R134-M295 HydrophobicContact CB-SD 4.48Å
135Q97.8Very high96.6Very high2 Ų222.1 Ų22.11%0.00912%0.115CC..Hα-helixtrans-72-40.5-178.8-62.5-173.354.200111.7N131 I132 G133 V137 Q138 A139 N167 F168 I169N131-Q135 WeakPolarHBondContact O-CG 3.31Å; N131-Q135 PolarHBondContact O-N 2.82Å; N131-Q135 VanDerWaalsContact O-N 3.11Å; N131-Q135 PolarHBondContact OD1-NE2 3.36Å; N131-Q135 VanDerWaalsContact OD1-NE2 3.1Å; I132-Q135 PolarHBondContact O-N 3.16Å; I132-Q135 VanDerWaalsContact O-N 3.14Å; G133-Q135 VanDerWaalsContact C-N 3.32Å; G133-Q135 PolarHBondContact O-N 3.09Å; Q135-V137 PolarHBondContact O-N 2.68Å; Q135-Q138 WeakPolarHBondContact O-CB 3.19Å; Q135-Q138 PolarHBondContact O-N 2.99Å; Q135-Q138 VanDerWaalsContact O-N 3.12Å; Q135-A139 PolarHBondContact O-N 3.46Å; Q135-N167 PolarHBondContact NE2-O 3.38Å; Q135-N167 VanDerWaalsContact NE2-O 3.13Å; Q135-F168 VanDerWaalsContact OE1-CA 3.24Å; Q135-I169 HydrophobicContact CB-CD1 4.16Å; Q135-I169 HydrophobicContact CB-CG1 3.37Å; Q135-I169 HydrophobicContact CG-CG1 4.43Å
136C98.3Very high96.6Very high1 Ų121.8 Ų21.81%0.00712%0.115CC..Hα-helixtrans-61.5-41.8173.9-680000112.1I132 G133 Q138 A139 L140 L222I132-C136 PolarHBondContact O-N 2.86Å; I132-C136 PolarHBondContact O-SG 2.91Å; I132-C136 VanDerWaalsContact O-SG 3.34Å; G133-C136 PolarHBondContact O-N 3.41Å; C136-Q138 VanDerWaalsContact C-N 3.27Å; C136-Q138 PolarHBondContact O-N 3.01Å; C136-A139 PolarHBondContact O-N 3.42Å; C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.09Å; C136-L140 PolarHBondContact O-N 3.47Å; C136-L222 HydrophobicContact CB-CD1 3.57Å; C136-L222 HydrophobicContact CB-CD2 3.8Å; C136-L222 HydrophobicContact CB-CG 4.37Å
137V98.3Very high96.5Very high0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-61-38174.3175.30000111.2G133 Q135 K141 L222 F269 Y284 L287 Q288G133-V137 VanDerWaalsContact O-CG2 3.28Å; G133-V137 WeakPolarHBondContact O-CG2 3.29Å; G133-V137 PolarHBondContact O-N 3.31Å; Q135-V137 PolarHBondContact O-N 2.68Å; V137-K141 WeakPolarHBondContact O-CB 3.44Å; V137-K141 PolarHBondContact O-N 3.38Å; V137-L222 HydrophobicContact CG2-CD2 3.67Å; V137-F269 HydrophobicContact CG2-CE2 4.04Å; V137-F269 HydrophobicContact CG2-CZ 4.06Å; V137-Y284 HydrophobicContact CG1-CD1 4.08Å; V137-L287 HydrophobicContact CG1-CB 4.09Å; V137-L287 HydrophobicContact CG2-CB 4.01Å; V137-Q288 HydrophobicContact CB-CG 3.95Å; V137-Q288 HydrophobicContact CG1-CG 3.54Å
138Q97.2Very high96.4Very high74 Ų7421 Ų2135%0.34611%0.109SC..Hα-helixtrans-64.4-46.8175.9-172.9176.521.700111.6V85 R134 Q135 C136 K141 S142V85-Q138 HydrophobicContact CG1-CG 4.21Å; R134-Q138 PolarHBondContact O-N 2.73Å; Q135-Q138 WeakPolarHBondContact O-CB 3.19Å; Q135-Q138 PolarHBondContact O-N 2.99Å; Q135-Q138 VanDerWaalsContact O-N 3.12Å; C136-Q138 VanDerWaalsContact C-N 3.27Å; C136-Q138 PolarHBondContact O-N 3.01Å; Q138-K141 PolarHBondContact O-N 3.34Å; Q138-S142 PolarHBondContact O-N 2.68Å
139A97Very high96.5Very high1 Ų119 Ų191%0.00810%0.1CC..Hα-helixtrans-63.2-48.7-179.600000111.6R86 Q135 C136 K141 S142 L143 I169 I171R86-A139 HydrophobicContact CB-CB 3.7Å; R86-A139 HydrophobicContact CG-CB 4.27Å; Q135-A139 PolarHBondContact O-N 3.46Å; C136-A139 PolarHBondContact O-N 3.42Å; A139-K141 PolarHBondContact O-N 3.45Å; A139-S142 VanDerWaalsContact O-CB 3.3Å; A139-S142 WeakPolarHBondContact O-CB 3.35Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-S142 VanDerWaalsContact O-N 3.1Å; A139-L143 PolarHBondContact O-N 3.12Å; A139-I169 HydrophobicContact CB-CD1 4.29Å; A139-I171 HydrophobicContact CB-CD1 3.36Å; A139-I171 HydrophobicContact CB-CG1 3.69Å
140L97.6Very high96.5Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-62.7-42.4176.4-70.2175.2000112.1C136 S142 L143 H144 H150 V153 I171 D218 L219 L222C136-L140 WeakPolarHBondContact O-CB 3.32Å; C136-L140 WeakPolarHBondContact O-CG 3.09Å; C136-L140 PolarHBondContact O-N 3.47Å; L140-S142 PolarHBondContact O-N 3.33Å; L140-L143 PolarHBondContact O-N 3.5Å; L140-H144 VanDerWaalsContact O-CB 3.31Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-CD2 3.12Å; L140-H144 VanDerWaalsContact O-CD2 3.26Å; L140-H144 PolarHBondContact O-N 2.96Å; L140-H144 PolarHBondContact O-ND1 2.88Å; L140-H150 HydrophobicContact CD2-CB 4.46Å; L140-V153 HydrophobicContact CD1-CG2 4.34Å; L140-V153 HydrophobicContact CD2-CG2 3.8Å; L140-I171 HydrophobicContact CD2-CD1 3.69Å; L140-I171 HydrophobicContact CG-CD1 3.8Å; L140-D218 HydrophobicContact CD1-CB 4.26Å; L140-D218 HydrophobicContact CD2-CB 4.11Å; L140-L219 HydrophobicContact CD1-CD2 3.92Å; L140-L222 HydrophobicContact CD1-CB 4.35Å; L140-L222 HydrophobicContact CD1-CD2 4.01Å
141K96.6Very high96.4Very high103 Ų10319.5 Ų19.545%0.44810%0.102SC..Hα-helixtrans-56-42.6173.2-177.1-173.2178.7-169.20111.1V137 Q138 A139 S145 Y284V137-K141 WeakPolarHBondContact O-CB 3.44Å; V137-K141 PolarHBondContact O-N 3.38Å; Q138-K141 PolarHBondContact O-N 3.34Å; A139-K141 PolarHBondContact O-N 3.45Å; K141-S145 WeakPolarHBondContact O-CB 3.43Å; K141-S145 PolarHBondContact O-N 3.29Å; K141-Y284 HydrophobicContact CB-CD1 3.68Å; K141-Y284 HydrophobicContact CB-CD2 4.25Å; K141-Y284 HydrophobicContact CB-CE1 4.09Å; K141-Y284 HydrophobicContact CB-CG 3.81Å; K141-Y284 HydrophobicContact CD-CD2 4.18Å; K141-Y284 HydrophobicContact CD-CG 4.01Å; K141-Y284 HydrophobicContact CG-CD1 4.13Å; K141-Y284 HydrophobicContact CG-CD2 3.77Å; K141-Y284 HydrophobicContact CG-CE2 4.21Å; K141-Y284 HydrophobicContact CG-CG 3.74Å
142S95.2Very high96.3Very high18 Ų1819.7 Ų19.713%0.12610%0.103CC..Hα-helixtrans-63.3-50.6178.8-152.40000111.2N84 Q138 A139 L140 H144 S145 T146N84-S142 VanDerWaalsContact CB-OG 3.29Å; N84-S142 WeakPolarHBondContact CB-OG 3.43Å; N84-S142 PolarHBondContact ND2-OG 2.78Å; N84-S142 PolarHBondContact OD1-OG 2.91Å; Q138-S142 PolarHBondContact O-N 2.68Å; A139-S142 VanDerWaalsContact O-CB 3.3Å; A139-S142 WeakPolarHBondContact O-CB 3.35Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-S142 VanDerWaalsContact O-N 3.1Å; L140-S142 PolarHBondContact O-N 3.33Å; S142-H144 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact O-N 3.2Å; S142-S145 PolarHBondContact O-OG 3.34Å; S142-T146 PolarHBondContact O-N 2.95Å
143L95.5Very high96.3Very high2 Ų219.9 Ų19.91%0.0110%0.104CC..Hα-helixtrans-56.1-49176.2177.660.2000111.4V77 A139 L140 S145 T146 F148 H150 L174V77-L143 HydrophobicContact CG1-CD1 4.18Å; A139-L143 PolarHBondContact O-N 3.12Å; L140-L143 PolarHBondContact O-N 3.5Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.39Å; L143-T146 PolarHBondContact O-N 3Å; L143-T146 VanDerWaalsContact O-N 3.12Å; L143-T146 PolarHBondContact O-OG1 2.75Å; L143-F148 CarbonylContact C-O 3.37Å; L143-F148 HydrophobicContact CD1-CB 3.78Å; L143-F148 HydrophobicContact CG-CB 4.39Å; L143-F148 PolarHBondContact O-N 3.42Å; L143-H150 HydrophobicContact CD2-CB 3.76Å; L143-L174 HydrophobicContact CD2-CD2 4.31Å
144H95.7Very high96.2Very high2 Ų220.8 Ų20.81%0.00911%0.108CC..Hα-helixtrans-63.1-35.3179.9-62.4170.5000113L140 S142 T146 G147 F148 M215 D218 Y284L140-H144 VanDerWaalsContact O-CB 3.31Å; L140-H144 WeakPolarHBondContact O-CB 3.29Å; L140-H144 PolarHBondContact O-CD2 3.12Å; L140-H144 VanDerWaalsContact O-CD2 3.26Å; L140-H144 PolarHBondContact O-N 2.96Å; L140-H144 PolarHBondContact O-ND1 2.88Å; S142-H144 PolarHBondContact O-N 3.06Å; H144-T146 PolarHBondContact O-N 3.26Å; H144-G147 PolarHBondContact O-N 2.61Å; H144-F148 VanDerWaalsContact CA-O 3.22Å; H144-F148 WeakPolarHBondContact CA-O 3.2Å; H144-F148 PolarHBondContact CD2-O 3.43Å; H144-F148 VanDerWaalsContact CD2-O 3.24Å; H144-F148 PolarHBondContact N-O 3.28Å; H144-M215 HydrophobicContact CB-CG 4.05Å; H144-M215 HydrophobicContact CB-SD 3.92Å; H144-M215 PolarHBondContact CE1-O 2.67Å; H144-D218 IonicContact CD2-OD2 3.8Å; H144-D218 IonicContact CE1-OD2 3.11Å; H144-D218 IonicContact NE2-OD2 3.52Å; H144-D218 PolarHBondContact NE2-OD2 3.37Å; H144-Y284 AromaticContact ND1-CE1 3.69Å; H144-Y284 AromaticContact ND1-CZ 3.54Å; H144-Y284 PolarHBondContact ND1-OH 2.89Å
145S93.2Very high96.1Very high86 Ų8617.7 Ų17.760%0.60110%0.097SC*.Hα-helixtrans-65.8-24.6177.775.80000113.5K141 S142 L143 G147K141-S145 WeakPolarHBondContact O-CB 3.43Å; K141-S145 PolarHBondContact O-N 3.29Å; S142-S145 PolarHBondContact O-N 3.2Å; S142-S145 PolarHBondContact O-OG 3.34Å; L143-S145 VanDerWaalsContact C-N 3.3Å; L143-S145 PolarHBondContact O-N 3.39Å; S145-G147 PolarHBondContact O-N 2.99Å
146T92.7Very high95.9Very high38 Ų3818.6 Ų18.623%0.23311%0.106CC..THydrogen-bonded Turntrans-83.72.1172.1660000113.7Q81 N84 S142 L143 H144 F148Q81-T146 PolarHBondContact NE2-OG1 3.4Å; N84-T146 WeakPolarHBondContact ND2-CG2 3.47Å; S142-T146 PolarHBondContact O-N 2.95Å; L143-T146 PolarHBondContact O-N 3Å; L143-T146 VanDerWaalsContact O-N 3.12Å; L143-T146 PolarHBondContact O-OG1 2.75Å; H144-T146 PolarHBondContact O-N 3.26Å; T146-F148 WeakPolarHBondContact O-CD2 3.44Å
147G93.5Very high95.8Very high5 Ų519 Ų195%0.05211%0.109CC..THydrogen-bonded Turntrans85.421.317800000114.9H144 S145 R179 I180 R181H144-G147 PolarHBondContact O-N 2.61Å; S145-G147 PolarHBondContact O-N 2.99Å; G147-R179 CarbonylContact O-C 3.47Å; G147-R179 WeakPolarHBondContact O-CA 3.45Å; G147-I180 PolarHBondContact O-N 2.96Å; G147-R181 PolarHBondContact O-N 2.82Å
148F94.7Very high95.6Very high0 Ų019.1 Ų19.10%011%0.109CC..EExtended strand (participates in β ladder)trans-123.1152.4176.8-67-91.5000111.9W73 V77 H80 L143 H144 T146 R178 R179W73-F148 AromaticContact CH2-CE1 3.72Å; W73-F148 HydrophobicContact CH2-CE1 3.72Å; W73-F148 HydrophobicContact CZ2-CD1 4.22Å; W73-F148 AromaticContact CZ2-CE1 3.72Å; W73-F148 HydrophobicContact CZ2-CE1 3.72Å; V77-F148 HydrophobicContact CG1-CB 4.35Å; V77-F148 HydrophobicContact CG1-CD1 4.16Å; V77-F148 HydrophobicContact CG1-CD2 4.41Å; V77-F148 HydrophobicContact CG1-CG 4.07Å; V77-F148 HydrophobicContact CG2-CD1 3.85Å; V77-F148 HydrophobicContact CG2-CE1 3.71Å; V77-F148 HydrophobicContact CG2-CZ 4.31Å; H80-F148 HydrophobicContact CB-CD2 4.42Å; H80-F148 HydrophobicContact CB-CE2 3.66Å; H80-F148 HydrophobicContact CB-CZ 4.38Å; H80-F148 AromaticContact CD2-CE2 3.91Å; H80-F148 AromaticContact CG-CE2 3.74Å; L143-F148 CarbonylContact C-O 3.37Å; L143-F148 HydrophobicContact CD1-CB 3.78Å; L143-F148 HydrophobicContact CG-CB 4.39Å; L143-F148 PolarHBondContact O-N 3.42Å; H144-F148 VanDerWaalsContact CA-O 3.22Å; H144-F148 WeakPolarHBondContact CA-O 3.2Å; H144-F148 PolarHBondContact CD2-O 3.43Å; H144-F148 VanDerWaalsContact CD2-O 3.24Å; H144-F148 PolarHBondContact N-O 3.28Å; T146-F148 WeakPolarHBondContact O-CD2 3.44Å; F148-R178 CarbonylContact C-O 3.48Å; F148-R178 VanDerWaalsContact CA-O 3.25Å; F148-R178 WeakPolarHBondContact CA-O 3.23Å; F148-R179 HydrophobicContact CD1-CB 4.1Å; F148-R179 HydrophobicContact CE1-CB 3.89Å
149I96.4Very high95.5Very high0 Ų015.7 Ų15.70%09%0.094CC..EExtended strand (participates in β ladder)trans-116.5154.2167.256.2167.8000109.4R151 A177 R178 I180 Q213 M215 D218I149-R151 HydrophobicContact CD1-CG 3.61Å; I149-R151 HydrophobicContact CG1-CG 3.84Å; I149-A177 CarbonylContact O-C 3.43Å; I149-A177 WeakPolarHBondContact O-CA 3.28Å; I149-A177 WeakPolarHBondContact O-CB 3.33Å; I149-R178 HydrophobicContact CG1-CB 4.12Å; I149-R178 WeakPolarHBondContact CG1-O 3.46Å; I149-R178 PolarHBondContact N-O 3.42Å; I149-R178 PolarHBondContact O-N 3.24Å; I149-I180 HydrophobicContact CD1-CD1 4.37Å; I149-I180 HydrophobicContact CG2-CB 4.35Å; I149-I180 HydrophobicContact CG2-CD1 3.96Å; I149-I180 HydrophobicContact CG2-CG2 4.15Å; I149-Q213 HydrophobicContact CD1-CB 3.86Å; I149-Q213 WeakPolarHBondContact CD1-O 3.49Å; I149-M215 HydrophobicContact CG2-CB 4.35Å; I149-M215 HydrophobicContact CG2-CG 3.74Å; I149-D218 WeakPolarHBondContact CA-OD2 3.42Å; I149-D218 WeakPolarHBondContact CB-OD2 3.37Å
150H96.1Very high95.3Very high0 Ų015.9 Ų15.90%09%0.094CC..  trans-82.4-46.8-175.6-167.9-62.2000113.6L140 L143 D152 V153 I171 I172 D173 L176 D218L140-H150 HydrophobicContact CD2-CB 4.46Å; L143-H150 HydrophobicContact CD2-CB 3.76Å; H150-D152 PolarHBondContact ND1-N 2.72Å; H150-D152 VanDerWaalsContact ND1-N 3.17Å; H150-D152 PolarHBondContact O-N 3.01Å; H150-V153 HydrophobicContact CB-CG2 4.02Å; H150-I171 WeakPolarHBondContact CD2-CG2 3.5Å; H150-I171 VanDerWaalsContact NE2-CG2 3.34Å; H150-I171 WeakPolarHBondContact NE2-CG2 3.29Å; H150-I172 PolarHBondContact NE2-O 2.98Å; H150-I172 VanDerWaalsContact NE2-O 3.07Å; H150-D173 PolarHBondContact CE1-O 3.4Å; H150-D173 PolarHBondContact NE2-O 3.47Å; H150-L176 CarbonylContact O-C 3.49Å; H150-D218 PolarHBondContact N-OD2 3.07Å
151R96.7Very high95.1Very high10 Ų1015.9 Ų15.94%0.0389%0.094CC..SBendtrans66.95.7-177.9-53.3-169.4-64.5167.50.1117.2I149 L176 G198 Q213 D218 D339I149-R151 HydrophobicContact CD1-CG 3.61Å; I149-R151 HydrophobicContact CG1-CG 3.84Å; R151-L176 PolarHBondContact NE-O 2.87Å; R151-L176 PolarHBondContact NH2-O 2.81Å; R151-G198 WeakPolarHBondContact O-CA 3.34Å; R151-Q213 HydrophobicContact CG-CB 4.15Å; R151-D218 WeakPolarHBondContact CA-OD1 3.32Å; R151-D218 PolarHBondContact N-OD1 3.07Å; R151-D339 IonicContact CZ-OD1 3.88Å; R151-D339 IonicContact CZ-OD2 2.9Å; R151-D339 IonicContact NH1-OD1 2.69Å; R151-D339 PolarHBondContact NH1-OD1 2.97Å; R151-D339 IonicContact NH1-OD2 3.88Å; R151-D339 PolarHBondContact NH1-OD2 3.28Å; R151-D339 IonicContact NH2-OD1 3.84Å; R151-D339 IonicContact NH2-OD2 3.8Å; R151-D339 PolarHBondContact NH2-OD2 3.47Å
152D96.3Very high94.7Very high6 Ų613.7 Ų13.73%0.0329%0.088CC..  trans-148.644.5178.1-159.130.2000112.4H150 K154 N157 L176 G198 T199 T333H150-D152 PolarHBondContact ND1-N 2.72Å; H150-D152 VanDerWaalsContact ND1-N 3.17Å; H150-D152 PolarHBondContact O-N 3.01Å; D152-K154 PolarHBondContact O-N 3.12Å; D152-K154 WeakPolarHBondContact OD2-CE 3.38Å; D152-K154 IonicContact OD2-NZ 3.8Å; D152-N157 PolarHBondContact O-ND2 2.99Å; D152-N157 PolarHBondContact OD2-ND2 3.37Å; D152-L176 HydrophobicContact CB-CD1 3.91Å; D152-G198 VanDerWaalsContact OD1-CA 3.29Å; D152-G198 WeakPolarHBondContact OD1-CA 3.44Å; D152-T199 PolarHBondContact OD1-N 2.88Å; D152-T199 PolarHBondContact OD1-OG1 3.41Å; D152-T333 VanDerWaalsContact OD2-CG2 3.23Å; D152-T333 WeakPolarHBondContact OD2-CG2 3.2Å; D152-T333 PolarHBondContact OD2-OG1 3.08Å
153V98Very high94.4Very high3 Ų319.3 Ų19.32%0.01812%0.116CC..  trans-70.9116.3176.1-179.20000109.4L140 H150 D218 S221 L222L140-V153 HydrophobicContact CD1-CG2 4.34Å; L140-V153 HydrophobicContact CD2-CG2 3.8Å; H150-V153 HydrophobicContact CB-CG2 4.02Å; V153-D218 HydrophobicContact CG2-CB 4.01Å; V153-S221 WeakPolarHBondContact O-CB 3.31Å; V153-L222 HydrophobicContact CG1-CB 4.26Å
154K96.3Very high94.1Very high19 Ų1926.7 Ų26.78%0.08316%0.155CC..SBendtrans-160.3164.7-179.663.2-176.7178.9174.30110.5D152 G156 N157 I158 T199 Y202 M225 D331 T333D152-K154 PolarHBondContact O-N 3.12Å; D152-K154 WeakPolarHBondContact OD2-CE 3.38Å; D152-K154 IonicContact OD2-NZ 3.8Å; K154-G156 PolarHBondContact O-N 3.43Å; K154-N157 HydrophobicContact CG-CB 4.29Å; K154-N157 PolarHBondContact O-N 3.08Å; K154-I158 PolarHBondContact O-N 2.97Å; K154-T199 HydrophobicContact CD-CG2 4.37Å; K154-T199 VanDerWaalsContact CD-OG1 3.31Å; K154-T199 WeakPolarHBondContact CD-OG1 3.22Å; K154-T199 PolarHBondContact NZ-OG1 2.74Å; K154-Y202 HydrophobicContact CB-CD2 3.42Å; K154-Y202 VanDerWaalsContact CB-CD2 3.42Å; K154-Y202 HydrophobicContact CB-CE2 3.67Å; K154-Y202 HydrophobicContact CB-CG 3.97Å; K154-Y202 HydrophobicContact CD-CD2 4.44Å; K154-M225 VanDerWaalsContact C-SD 3.59Å; K154-D331 PolarHBondContact NZ-O 2.84Å; K154-D331 VanDerWaalsContact NZ-O 3.14Å; K154-T333 PolarHBondContact NZ-OG1 3.22Å
155P95.2Very high93.9Very high1 Ų130 Ų301%0.00617%0.173CC..G310 helixtrans-52.3-34.2179.7-28.234.4000114.6L112 N113 Q116 N157 I158 Y202 M225L112-P155 HydrophobicContact CB-CB 3.9Å; L112-P155 PolarHBondContact N-O 3.45Å; N113-P155 HydrophobicContact CB-CB 4.02Å; N113-P155 PolarHBondContact N-O 3.43Å; Q116-P155 VanDerWaalsContact OE1-CG 3.23Å; P155-N157 PolarHBondContact O-N 2.92Å; P155-I158 PolarHBondContact O-N 3.38Å; P155-Y202 VanDerWaalsContact CD-CZ 3.4Å; P155-Y202 HydrophobicContact CG-CE1 4.15Å; P155-M225 HydrophobicContact CG-CG 3.76Å; P155-M225 HydrophobicContact CG-SD 4.06Å
156G93.4Very high93.7Very high21 Ų2129.8 Ų29.822%0.21616%0.162CC..G310 helixtrans-64.9-27178.300000114S111 K154S111-G156 WeakPolarHBondContact CB-O 3.36Å; K154-G156 PolarHBondContact O-N 3.43Å
157N95.4Very high93.7Very high11 Ų1130.3 Ų30.36%0.05916%0.163CC..G310 helixtrans-102.213.7-178.4-68.5-14.1000113D152 K154 P155 I172D152-N157 PolarHBondContact O-ND2 2.99Å; D152-N157 PolarHBondContact OD2-ND2 3.37Å; K154-N157 HydrophobicContact CG-CB 4.29Å; K154-N157 PolarHBondContact O-N 3.08Å; P155-N157 PolarHBondContact O-N 2.92Å; N157-I172 HydrophobicContact CB-CG1 4.35Å; N157-I172 PolarHBondContact O-N 2.82Å
158I95.7Very high93.8Very high1 Ų133.3 Ų33.31%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-119110.6171.3-51.8-55.5000108.1S111 L112 K154 P155 I169 Y170 I171 M225S111-I158 CarbonylContact C-O 3.42Å; S111-I158 VanDerWaalsContact CA-O 3.23Å; S111-I158 WeakPolarHBondContact CA-O 3.28Å; L112-I158 HydrophobicContact CD1-CB 3.78Å; L112-I158 HydrophobicContact CD1-CG1 4.43Å; L112-I158 HydrophobicContact CD1-CG2 3.59Å; L112-I158 HydrophobicContact CG-CB 3.97Å; L112-I158 HydrophobicContact CG-CG2 3.9Å; L112-I158 PolarHBondContact N-O 2.85Å; K154-I158 PolarHBondContact O-N 2.97Å; P155-I158 PolarHBondContact O-N 3.38Å; I158-I169 HydrophobicContact CG2-CB 3.79Å; I158-I169 HydrophobicContact CG2-CD1 4.35Å; I158-I169 HydrophobicContact CG2-CG1 4.43Å; I158-I169 HydrophobicContact CG2-CG2 4.07Å; I158-Y170 WeakPolarHBondContact CA-O 3.41Å; I158-I171 HydrophobicContact CD1-CD1 4.48Å; I158-I171 HydrophobicContact CD1-CG1 3.8Å; I158-M225 HydrophobicContact CG1-CE 4.07Å; I158-M225 HydrophobicContact CG1-SD 3.91Å
159A93.8Very high93.8Very high3 Ų333.3 Ų33.33%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-110.1149.1179.200000112.1L108 I169 Y170 I172L108-A159 HydrophobicContact CB-CB 4.12Å; L108-A159 HydrophobicContact CD1-CB 3.98Å; A159-I169 CarbonylContact O-C 3.59Å; A159-I169 VanDerWaalsContact O-CA 3.31Å; A159-I169 WeakPolarHBondContact O-CA 3.41Å; A159-Y170 PolarHBondContact N-O 2.95Å; A159-Y170 PolarHBondContact O-N 2.74Å; A159-I172 HydrophobicContact CB-CD1 4.26Å; A159-I172 HydrophobicContact CB-CG2 4.29Å
160L93.7Very high93.8Very high4 Ų434.4 Ų34.42%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-80.3151.8170.7-61.1-175.8000110.5G109 Q110 L112 I115 F168 I169 L308 N309G109-L160 WeakPolarHBondContact CA-O 3.41Å; G109-L160 PolarHBondContact N-O 3.26Å; Q110-L160 PolarHBondContact O-N 3.05Å; L112-L160 HydrophobicContact CD2-CD2 4.46Å; I115-L160 HydrophobicContact CD1-CD1 3.59Å; I115-L160 HydrophobicContact CD1-CG 4.06Å; L160-F168 CarbonylContact C-O 3.53Å; L160-F168 WeakPolarHBondContact CA-O 3.4Å; L160-I169 HydrophobicContact CD2-CG2 4.02Å; L160-L308 HydrophobicContact CD1-CB 4.31Å; L160-L308 WeakPolarHBondContact CD1-O 3.47Å; L160-L308 HydrophobicContact CD2-CB 3.98Å; L160-L308 HydrophobicContact CD2-CD1 4.06Å; L160-N309 HydrophobicContact CD1-CB 4.02Å
161G92.7Very high93.7Very high0 Ų034.6 Ų34.60%018%0.18CC..  trans-68176.2169.200000112.6N165 K166 F168G161-N165 WeakPolarHBondContact CA-O 3.31Å; G161-K166 WeakPolarHBondContact O-CA 3.3Å; G161-F168 PolarHBondContact N-O 3.32Å
162L89.6Confident93.6Very high58 Ų5836.3 Ų36.330%0.30419%0.189SC..  trans-107.9161.5171-65.6176.4000110.7L107 D164 N165L107-L162 HydrophobicContact CB-CD1 4.27Å; L107-L162 HydrophobicContact CD2-CD1 3.96Å; L107-L162 HydrophobicContact CG-CD1 3.88Å; L107-L162 WeakPolarHBondContact O-CD1 3.32Å; L162-D164 PolarHBondContact O-N 2.91Å; L162-N165 WeakPolarHBondContact O-CA 3.41Å; L162-N165 WeakPolarHBondContact O-CB 3.45Å; L162-N165 PolarHBondContact O-N 3.34Å
163N87.7Confident93.4Very high136 Ų13637.6 Ų37.673%0.72720%0.196SC*.G310 helixtrans52.3-124.9173.2-53.4-33.1000112N165 K166N163-N165 PolarHBondContact O-N 3.33Å; N163-N165 VanDerWaalsContact O-N 3.11Å; N163-K166 WeakPolarHBondContact O-CB 3.44Å; N163-K166 VanDerWaalsContact O-CG 3.22Å; N163-K166 WeakPolarHBondContact O-CG 3.49Å; N163-K166 PolarHBondContact O-N 3.5Å
164D89.4Confident93.1Very high156 Ų15637.7 Ų37.783%0.83420%0.197SC*.G310 helixtrans-61.5-19.9179.1-60.2-26.9000113.3L162L162-D164 PolarHBondContact O-N 2.91Å
165N90.6Very high92.8Very high72 Ų7236.8 Ų36.839%0.38519%0.193SC..G310 helixtrans-94.76.9178.9-67.2-50.9000113.9G161 L162 N163 N167 F168 Y170G161-N165 WeakPolarHBondContact CA-O 3.31Å; L162-N165 WeakPolarHBondContact O-CA 3.41Å; L162-N165 WeakPolarHBondContact O-CB 3.45Å; L162-N165 PolarHBondContact O-N 3.34Å; N163-N165 PolarHBondContact O-N 3.33Å; N163-N165 VanDerWaalsContact O-N 3.11Å; N165-N167 PolarHBondContact O-N 3.07Å; N165-F168 HydrophobicContact CB-CD2 4.23Å; N165-F168 WeakPolarHBondContact O-CB 3.23Å; N165-F168 PolarHBondContact O-N 3.02Å; N165-Y170 HydrophobicContact CB-CE2 4.44Å
166K90.5Very high92.6Very high82 Ų8236.9 Ų36.936%0.35719%0.193SC..THydrogen-bonded Turntrans-61.6-18-173.575.1-178.8-180172.50115.6G161 N163 N309G161-K166 WeakPolarHBondContact O-CA 3.3Å; N163-K166 WeakPolarHBondContact O-CB 3.44Å; N163-K166 VanDerWaalsContact O-CG 3.22Å; N163-K166 WeakPolarHBondContact O-CG 3.49Å; N163-K166 PolarHBondContact O-N 3.5Å; K166-N309 HydrophobicContact CB-CB 3.75Å; K166-N309 HydrophobicContact CD-CB 4.25Å; K166-N309 WeakPolarHBondContact CE-O 3.17Å; K166-N309 HydrophobicContact CG-CB 4.02Å; K166-N309 VanDerWaalsContact O-CB 3.23Å; K166-N309 WeakPolarHBondContact O-CB 3.12Å
167N92.1Very high92.6Very high49 Ų4935.9 Ų35.926%0.26218%0.183SC..THydrogen-bonded Turntrans-95.77.6176.5-66.8-35.5000113.7Q135 N165 T307 L308 N309Q135-N167 PolarHBondContact NE2-O 3.38Å; Q135-N167 VanDerWaalsContact NE2-O 3.13Å; N165-N167 PolarHBondContact O-N 3.07Å; N167-T307 WeakPolarHBondContact OD1-CA 3.34Å; N167-L308 WeakPolarHBondContact O-CD1 3.4Å; N167-L308 PolarHBondContact OD1-N 2.95Å; N167-N309 PolarHBondContact OD1-N 2.89Å
168F94.8Very high92.5Very high67 Ų6736.7 Ų36.729%0.29419%0.185SC..  trans-113.1140.3178.7-61.9-59.6000112.2R86 Q135 L160 G161 N165 Y170R86-F168 VanDerWaalsContact NH1-CD1 3.25Å; Q135-F168 VanDerWaalsContact OE1-CA 3.24Å; L160-F168 CarbonylContact C-O 3.53Å; L160-F168 WeakPolarHBondContact CA-O 3.4Å; G161-F168 PolarHBondContact N-O 3.32Å; N165-F168 HydrophobicContact CB-CD2 4.23Å; N165-F168 WeakPolarHBondContact O-CB 3.23Å; N165-F168 PolarHBondContact O-N 3.02Å; F168-Y170 HydrophobicContact CB-CE2 4.16Å
169I95.9Very high92.4Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-87.1154.9172.471.789000110.4R86 I132 Q135 A139 I158 A159 L160 I171 L308R86-I169 HydrophobicContact CB-CD1 4.31Å; R86-I169 WeakPolarHBondContact CB-O 3.47Å; R86-I169 VanDerWaalsContact CD-O 3.25Å; R86-I169 WeakPolarHBondContact CD-O 3.45Å; R86-I169 HydrophobicContact CG-CD1 4.5Å; R86-I169 WeakPolarHBondContact CG-O 3.33Å; I132-I169 HydrophobicContact CG1-CG2 4.38Å; Q135-I169 HydrophobicContact CB-CD1 4.16Å; Q135-I169 HydrophobicContact CB-CG1 3.37Å; Q135-I169 HydrophobicContact CG-CG1 4.43Å; A139-I169 HydrophobicContact CB-CD1 4.29Å; I158-I169 HydrophobicContact CG2-CB 3.79Å; I158-I169 HydrophobicContact CG2-CD1 4.35Å; I158-I169 HydrophobicContact CG2-CG1 4.43Å; I158-I169 HydrophobicContact CG2-CG2 4.07Å; A159-I169 CarbonylContact O-C 3.59Å; A159-I169 VanDerWaalsContact O-CA 3.31Å; A159-I169 WeakPolarHBondContact O-CA 3.41Å; L160-I169 HydrophobicContact CD2-CG2 4.02Å; I169-I171 HydrophobicContact CD1-CG1 4.33Å; I169-L308 HydrophobicContact CG2-CD1 3.94Å
170Y95.5Very high92.4Very high24 Ų2439.2 Ų39.29%0.09419%0.194CC..EExtended strand (participates in β ladder)trans-133.6134.2171.7-67.3-102.3000108.5R86 L108 I158 A159 N165 F168R86-Y170 CarbonylContact O-C 3.54Å; R86-Y170 VanDerWaalsContact O-CA 3.3Å; R86-Y170 WeakPolarHBondContact O-CA 3.25Å; L108-Y170 VanDerWaalsContact CD1-CB 3.47Å; L108-Y170 HydrophobicContact CD1-CD1 4.46Å; L108-Y170 HydrophobicContact CD1-CD2 4.37Å; L108-Y170 HydrophobicContact CD1-CG 3.88Å; L108-Y170 HydrophobicContact CD2-CD1 4.11Å; L108-Y170 HydrophobicContact CD2-CD2 3.75Å; L108-Y170 HydrophobicContact CD2-CE1 4.36Å; L108-Y170 HydrophobicContact CD2-CE2 4.06Å; L108-Y170 HydrophobicContact CD2-CG 3.8Å; I158-Y170 WeakPolarHBondContact CA-O 3.41Å; A159-Y170 PolarHBondContact N-O 2.95Å; A159-Y170 PolarHBondContact O-N 2.74Å; N165-Y170 HydrophobicContact CB-CE2 4.44Å; F168-Y170 HydrophobicContact CB-CE2 4.16Å
171I95.3Very high92.4Very high4 Ų441.2 Ų41.22%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-83.1128.1169.9-62.2-172.6000107.9R86 P88 A139 L140 H150 I158 I169R86-I171 PolarHBondContact O-N 2.93Å; P88-I171 VanDerWaalsContact CD-O 3.29Å; P88-I171 WeakPolarHBondContact CD-O 3.22Å; A139-I171 HydrophobicContact CB-CD1 3.36Å; A139-I171 HydrophobicContact CB-CG1 3.69Å; L140-I171 HydrophobicContact CD2-CD1 3.69Å; L140-I171 HydrophobicContact CG-CD1 3.8Å; H150-I171 WeakPolarHBondContact CD2-CG2 3.5Å; H150-I171 VanDerWaalsContact NE2-CG2 3.34Å; H150-I171 WeakPolarHBondContact NE2-CG2 3.29Å; I158-I171 HydrophobicContact CD1-CD1 4.48Å; I158-I171 HydrophobicContact CD1-CG1 3.8Å; I169-I171 HydrophobicContact CD1-CG1 4.33Å
172I93.6Very high92.4Very high46 Ų4646.9 Ų46.924%0.23622%0.223CC..  trans-122.1169.1-177.964.8172.4000111.1P88 L108 H150 N157 A159P88-I172 HydrophobicContact CG-CG2 3.76Å; L108-I172 HydrophobicContact CD1-CG2 3.6Å; H150-I172 PolarHBondContact NE2-O 2.98Å; H150-I172 VanDerWaalsContact NE2-O 3.07Å; N157-I172 HydrophobicContact CB-CG1 4.35Å; N157-I172 PolarHBondContact O-N 2.82Å; A159-I172 HydrophobicContact CB-CD1 4.26Å; A159-I172 HydrophobicContact CB-CG2 4.29Å
173D91.2Very high92.3Very high33 Ų3351.3 Ų51.318%0.17624%0.24CC..  trans59.980.2178.3-160.86.3000114.4K57 E74 H150 G175K57-D173 IonicContact NZ-OD1 2.77Å; K57-D173 PolarHBondContact NZ-OD1 3.23Å; E74-D173 WeakPolarHBondContact OE1-CA 3.4Å; H150-D173 PolarHBondContact CE1-O 3.4Å; H150-D173 PolarHBondContact NE2-O 3.47Å; D173-G175 VanDerWaalsContact C-N 3.26Å; D173-G175 PolarHBondContact O-N 2.81Å; D173-G175 PolarHBondContact OD1-N 3.49Å
174L92.2Very high92.5Very high5 Ų550.9 Ų50.93%0.02624%0.238CC..G310 helixtrans-90.513.6177.4-54.5173.7000112.2E74 V77 M78 Q81 L143 L176 A177E74-L174 HydrophobicContact CG-CB 4.14Å; E74-L174 PolarHBondContact OE1-N 3.2Å; E74-L174 VanDerWaalsContact OE1-N 3.1Å; V77-L174 HydrophobicContact CB-CB 4.35Å; V77-L174 HydrophobicContact CB-CD1 4.38Å; V77-L174 HydrophobicContact CG1-CB 4.19Å; V77-L174 HydrophobicContact CG1-CD1 3.83Å; V77-L174 HydrophobicContact CG1-CG 4.5Å; M78-L174 HydrophobicContact CG-CD1 3.94Å; Q81-L174 HydrophobicContact CG-CD1 4.5Å; L143-L174 HydrophobicContact CD2-CD2 4.31Å; L174-L176 PolarHBondContact O-N 3.19Å; L174-A177 HydrophobicContact CB-CB 4.11Å; L174-A177 VanDerWaalsContact O-CB 3.24Å; L174-A177 WeakPolarHBondContact O-CB 3.12Å; L174-A177 PolarHBondContact O-N 3.09Å
175G89.5Confident92.5Very high0 Ų045.1 Ų45.10%022%0.216CC..G310 helixtrans-62.3-22.9-17900000114.2D173 R335D173-G175 VanDerWaalsContact C-N 3.26Å; D173-G175 PolarHBondContact O-N 2.81Å; D173-G175 PolarHBondContact OD1-N 3.49Å; G175-R335 PolarHBondContact O-NH1 3.34Å
176L91.8Very high92.7Very high2 Ų244.2 Ų44.21%0.0122%0.215CC..G310 helixtrans-100.22.2171.9-74.1-173.1000114.1F38 H150 R151 D152 L174 C197 T333 R335F38-L176 HydrophobicContact CE1-CD2 4.42Å; F38-L176 HydrophobicContact CE2-CD2 4.43Å; F38-L176 HydrophobicContact CE2-CG 3.96Å; F38-L176 HydrophobicContact CZ-CD1 4.41Å; F38-L176 HydrophobicContact CZ-CD2 3.66Å; F38-L176 HydrophobicContact CZ-CG 3.7Å; H150-L176 CarbonylContact O-C 3.49Å; R151-L176 PolarHBondContact NE-O 2.87Å; R151-L176 PolarHBondContact NH2-O 2.81Å; D152-L176 HydrophobicContact CB-CD1 3.91Å; L174-L176 PolarHBondContact O-N 3.19Å; L176-C197 HydrophobicContact CD1-CB 4.4Å; L176-C197 HydrophobicContact CD2-CB 4.3Å; L176-T333 HydrophobicContact CD1-CG2 3.24Å; L176-T333 HydrophobicContact CG-CG2 4.28Å; L176-R335 HydrophobicContact CD2-CB 4.18Å; L176-R335 HydrophobicContact CD2-CG 3.91Å
177A93.6Very high92.9Very high1 Ų142.4 Ų42.41%0.00821%0.209CC..  trans-60.4155.7-179.600000111.4W73 V77 I149 L174W73-A177 PolarHBondContact NE1-O 3.44Å; V77-A177 HydrophobicContact CG1-CB 4Å; V77-A177 HydrophobicContact CG2-CB 4.02Å; I149-A177 CarbonylContact O-C 3.43Å; I149-A177 WeakPolarHBondContact O-CA 3.28Å; I149-A177 WeakPolarHBondContact O-CB 3.33Å; L174-A177 HydrophobicContact CB-CB 4.11Å; L174-A177 VanDerWaalsContact O-CB 3.24Å; L174-A177 WeakPolarHBondContact O-CB 3.12Å; L174-A177 PolarHBondContact O-N 3.09Å
178R93.3Very high93Very high27 Ų2741.7 Ų41.710%0.10221%0.205CC..EExtended strand (participates in β ladder)trans-140.4137.8178.9-179.9-178172.7-86.97111.1F148 I149 I180 R191 D212F148-R178 CarbonylContact C-O 3.48Å; F148-R178 VanDerWaalsContact CA-O 3.25Å; F148-R178 WeakPolarHBondContact CA-O 3.23Å; I149-R178 HydrophobicContact CG1-CB 4.12Å; I149-R178 WeakPolarHBondContact CG1-O 3.46Å; I149-R178 PolarHBondContact N-O 3.42Å; I149-R178 PolarHBondContact O-N 3.24Å; R178-I180 PolarHBondContact O-N 2.96Å; R178-R191 VanDerWaalsContact CD-NH2 3.31Å; R178-R191 VanDerWaalsContact NE-CZ 3.27Å; R178-R191 VanDerWaalsContact NE-NH2 3.15Å; R178-D212 IonicContact CZ-OD1 2.93Å; R178-D212 IonicContact CZ-OD2 3.88Å; R178-D212 IonicContact NE-OD1 3.54Å; R178-D212 IonicContact NH1-OD1 3.58Å; R178-D212 IonicContact NH1-OD2 2.87Å; R178-D212 IonicContact NH2-OD1 2.65Å; R178-D212 IonicContact NH2-OD2 2.78Å; R178-D212 PolarHBondContact NH2-OD2 3.36Å; R178-D212 VanDerWaalsContact NH2-OD2 3.11Å
179R93.6Very high92.9Very high57 Ų5742.5 Ų42.522%0.21522%0.217CC..EExtended strand (participates in β ladder)trans-65.1130.4170.9-174.7170.9-70.5-137.6-0.2110.4H76 H80 G147 F148 R181 L188H76-R179 PolarHBondContact NE2-NH2 3.14Å; H80-R179 PolarHBondContact NE2-NH2 3.36Å; H80-R179 VanDerWaalsContact NE2-NH2 3.17Å; G147-R179 CarbonylContact O-C 3.47Å; G147-R179 WeakPolarHBondContact O-CA 3.45Å; F148-R179 HydrophobicContact CD1-CB 4.1Å; F148-R179 HydrophobicContact CE1-CB 3.89Å; R179-R181 VanDerWaalsContact CD-O 3.32Å; R179-R181 WeakPolarHBondContact CD-O 3.27Å; R179-R181 WeakPolarHBondContact CG-O 3.42Å; R179-L188 HydrophobicContact CG-CD1 4.26Å; R179-L188 WeakPolarHBondContact O-CD1 3.24Å
180I94.4Very high92.8Very high0 Ų045.9 Ų45.90%024%0.238CC..  trans-119.3-8.2178.4-153.6173000113G147 I149 R178 L187 L188 M215G147-I180 PolarHBondContact O-N 2.96Å; I149-I180 HydrophobicContact CD1-CD1 4.37Å; I149-I180 HydrophobicContact CG2-CB 4.35Å; I149-I180 HydrophobicContact CG2-CD1 3.96Å; I149-I180 HydrophobicContact CG2-CG2 4.15Å; R178-I180 PolarHBondContact O-N 2.96Å; I180-L187 HydrophobicContact CD1-CD1 4.12Å; I180-L187 HydrophobicContact CG1-CD1 3.81Å; I180-L187 HydrophobicContact CG2-CD1 4.29Å; I180-L187 WeakPolarHBondContact O-CD1 3.49Å; I180-L188 PolarHBondContact O-N 3.33Å; I180-M215 HydrophobicContact CD1-CG 4.41Å; I180-M215 HydrophobicContact CG2-CG 4.49Å
181R93.9Very high92.7Very high47 Ų4748 Ų4818%0.17725%0.246CC..BIsolated β-bridgetrans-124.9149.4176.8-62.8178.1-174.3-82.7-2112.1G147 R179 G185 S186 L187 E281G147-R181 PolarHBondContact O-N 2.82Å; R179-R181 VanDerWaalsContact CD-O 3.32Å; R179-R181 WeakPolarHBondContact CD-O 3.27Å; R179-R181 WeakPolarHBondContact CG-O 3.42Å; R181-G185 WeakPolarHBondContact CD-O 3.18Å; R181-G185 PolarHBondContact NH1-O 2.93Å; R181-S186 CarbonylContact C-O 3.57Å; R181-S186 WeakPolarHBondContact CA-O 3.31Å; R181-S186 WeakPolarHBondContact CB-O 3.22Å; R181-L187 HydrophobicContact CG-CD1 4.44Å; R181-E281 IonicContact CZ-OE2 3.78Å; R181-E281 IonicContact NH2-OE1 3.77Å; R181-E281 IonicContact NH2-OE2 2.83Å; R181-E281 PolarHBondContact NH2-OE2 2.81Å
182Y91.5Very high92.4Very high118 Ų11858.2 Ų58.246%0.46329%0.291SS..  trans-68.8170.4165.3-69-77.5000110.9D184 G185 S186 L188Y182-D184 VanDerWaalsContact CB-OD1 3.28Å; Y182-D184 WeakPolarHBondContact CB-OD1 3.43Å; Y182-D184 PolarHBondContact O-N 3.46Å; Y182-G185 PolarHBondContact O-N 2.55Å; Y182-S186 VanDerWaalsContact CD2-OG 3.24Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.39Å; Y182-S186 PolarHBondContact N-O 3.28Å; Y182-L188 HydrophobicContact CD1-CD2 3.85Å; Y182-L188 HydrophobicContact CD2-CD2 3.99Å; Y182-L188 HydrophobicContact CD2-CG 4.38Å; Y182-L188 HydrophobicContact CE1-CD2 3.44Å; Y182-L188 VanDerWaalsContact CE1-CD2 3.44Å; Y182-L188 HydrophobicContact CE2-CD2 3.61Å; Y182-L188 HydrophobicContact CE2-CG 4.29Å; Y182-L188 HydrophobicContact CG-CD2 4.12Å
183K87.2Confident92Very high152 Ų15260.2 Ų60.266%0.66131%0.309SS*.THydrogen-bonded Turntrans-59.4-26.3176.6-71.8-178.4177.71750112.3G185 E346K183-G185 VanDerWaalsContact C-N 3.29Å; K183-E346 IonicContact NZ-OE1 2.76Å; K183-E346 PolarHBondContact NZ-OE1 3.14Å
184D91.6Very high91.9Very high127 Ų12759 Ų5968%0.67930%0.302SS*.THydrogen-bonded Turntrans-81.4-2.4176.271-1.2000114.2Y182 S186Y182-D184 VanDerWaalsContact CB-OD1 3.28Å; Y182-D184 WeakPolarHBondContact CB-OD1 3.43Å; Y182-D184 PolarHBondContact O-N 3.46Å; D184-S186 VanDerWaalsContact OD1-CB 3.28Å; D184-S186 WeakPolarHBondContact OD1-CB 3.29Å; D184-S186 PolarHBondContact OD1-N 3.2Å; D184-S186 PolarHBondContact OD1-OG 3.38Å; D184-S186 PolarHBondContact OD2-OG 3.23Å
185G90.6Very high91.9Very high35 Ų3559.3 Ų59.336%0.36131%0.307SS..SBendtrans87.2-6-179.500000115.3R181 Y182 K183R181-G185 WeakPolarHBondContact CD-O 3.18Å; R181-G185 PolarHBondContact NH1-O 2.93Å; Y182-G185 PolarHBondContact O-N 2.55Å; K183-G185 VanDerWaalsContact C-N 3.29Å
186S93.5Very high92.1Very high52 Ų5259.6 Ų59.636%0.36431%0.308SS..PPolyproline II helixtrans-68.6146.9175.167.20000111.4R181 Y182 D184R181-S186 CarbonylContact C-O 3.57Å; R181-S186 WeakPolarHBondContact CA-O 3.31Å; R181-S186 WeakPolarHBondContact CB-O 3.22Å; Y182-S186 VanDerWaalsContact CD2-OG 3.24Å; Y182-S186 WeakPolarHBondContact CD2-OG 3.39Å; Y182-S186 PolarHBondContact N-O 3.28Å; D184-S186 VanDerWaalsContact OD1-CB 3.28Å; D184-S186 WeakPolarHBondContact OD1-CB 3.29Å; D184-S186 PolarHBondContact OD1-N 3.2Å; D184-S186 PolarHBondContact OD1-OG 3.38Å; D184-S186 PolarHBondContact OD2-OG 3.23Å
187L94.9Very high92.1Very high44 Ų4459.5 Ų59.523%0.2331%0.308CS..BIsolated β-bridgetrans-73.4134.9-176.6-16476.8000110.5I180 R181 M215 Y278 T279I180-L187 HydrophobicContact CD1-CD1 4.12Å; I180-L187 HydrophobicContact CG1-CD1 3.81Å; I180-L187 HydrophobicContact CG2-CD1 4.29Å; I180-L187 WeakPolarHBondContact O-CD1 3.49Å; R181-L187 HydrophobicContact CG-CD1 4.44Å; L187-M215 HydrophobicContact CD1-CE 4.29Å; L187-Y278 HydrophobicContact CD2-CD1 3.98Å; L187-Y278 HydrophobicContact CD2-CE1 3.86Å; L187-Y278 HydrophobicContact CG-CE1 4.3Å; L187-T279 HydrophobicContact CD2-CG2 4.14Å
188L94.4Very high92.1Very high35 Ų3559.5 Ų59.518%0.18331%0.308CS..PPolyproline II helixtrans-64.1140.9170.4-74.2165.5000109.8R179 I180 Y182 Y278R179-L188 HydrophobicContact CG-CD1 4.26Å; R179-L188 WeakPolarHBondContact O-CD1 3.24Å; I180-L188 PolarHBondContact O-N 3.33Å; Y182-L188 HydrophobicContact CD1-CD2 3.85Å; Y182-L188 HydrophobicContact CD2-CD2 3.99Å; Y182-L188 HydrophobicContact CD2-CG 4.38Å; Y182-L188 HydrophobicContact CE1-CD2 3.44Å; Y182-L188 VanDerWaalsContact CE1-CD2 3.44Å; Y182-L188 HydrophobicContact CE2-CD2 3.61Å; Y182-L188 HydrophobicContact CE2-CG 4.29Å; Y182-L188 HydrophobicContact CG-CD2 4.12Å; L188-Y278 WeakPolarHBondContact O-CE1 3.5Å; L188-Y278 PolarHBondContact O-OH 2.99Å
189P94Very high92.2Very high84 Ų8458.3 Ų58.355%0.54530%0.304SS..PPolyproline II helixtrans-64.7145.7171.627.1-33.5000110.6R191P189-R191 PolarHBondContact O-N 3Å
190P93.5Very high92.3Very high70 Ų7056.8 Ų56.846%0.45530%0.301SS..PPolyproline II helixtrans-64.1137.7178.526.2-33.5000111D212 Y278P190-D212 HydrophobicContact CB-CB 4.13Å; P190-Y278 HydrophobicContact CB-CD1 4Å; P190-Y278 HydrophobicContact CB-CD2 3.97Å; P190-Y278 HydrophobicContact CB-CE1 3.89Å; P190-Y278 HydrophobicContact CB-CE2 3.85Å; P190-Y278 HydrophobicContact CB-CG 4.04Å; P190-Y278 HydrophobicContact CG-CD1 4.14Å; P190-Y278 HydrophobicContact CG-CE1 4.26Å; P190-Y278 HydrophobicContact CG-CG 4.44Å
191R92.2Very high92.4Very high68 Ų6857.2 Ų57.226%0.25730%0.303SS..PPolyproline II helixtrans-66.9139.4170.7-66.6175.7-69.9168.59.5109.8R178 P189 S193 V194 D212 D339R178-R191 VanDerWaalsContact CD-NH2 3.31Å; R178-R191 VanDerWaalsContact NE-CZ 3.27Å; R178-R191 VanDerWaalsContact NE-NH2 3.15Å; P189-R191 PolarHBondContact O-N 3Å; R191-S193 VanDerWaalsContact C-N 3.3Å; R191-S193 PolarHBondContact O-N 3.5Å; R191-V194 HydrophobicContact CB-CG1 3.49Å; R191-V194 VanDerWaalsContact CB-CG1 3.49Å; R191-V194 HydrophobicContact CG-CG1 4.24Å; R191-V194 VanDerWaalsContact NE-CG1 3.25Å; R191-D212 HydrophobicContact CB-CB 4.21Å; R191-D212 WeakPolarHBondContact CB-OD2 3.19Å; R191-D212 WeakPolarHBondContact CG-OD2 3.46Å; R191-D212 IonicContact CZ-OD1 3.18Å; R191-D212 PolarHBondContact N-OD2 2.77Å; R191-D212 IonicContact NE-OD1 2.99Å; R191-D212 PolarHBondContact NE-OD1 3.1Å; R191-D212 VanDerWaalsContact NE-OD1 3.1Å; R191-D212 IonicContact NE-OD2 2.66Å; R191-D212 PolarHBondContact NE-OD2 2.84Å; R191-D212 IonicContact NH2-OD1 2.91Å; R191-D212 PolarHBondContact NH2-OD1 3.17Å; R191-D339 IonicContact CZ-OD1 3.15Å; R191-D339 IonicContact NH1-OD1 3.01Å; R191-D339 PolarHBondContact NH1-OD1 3.16Å; R191-D339 IonicContact NH2-OD1 3.16Å; R191-D339 PolarHBondContact NH2-OD1 2.65Å
192K89.1Confident92.5Very high219 Ų21955.1 Ų55.195%0.95230%0.295SS*.SBendtrans-63.2-32-177.2-67.5-174.5179.2-178.90114.1
193S85.1Confident92.8Very high89 Ų8949.8 Ų49.862%0.62228%0.276SS*.  trans-157.5135.4177-176.20000109.2R191R191-S193 VanDerWaalsContact C-N 3.3Å; R191-S193 PolarHBondContact O-N 3.5Å
194V90.7Very high93.4Very high6 Ų642.8 Ų42.84%0.03625%0.246CC..  trans-137.2152.1-178.9-590000109.9R191 N210 E211 D212R191-V194 HydrophobicContact CB-CG1 3.49Å; R191-V194 VanDerWaalsContact CB-CG1 3.49Å; R191-V194 HydrophobicContact CG-CG1 4.24Å; R191-V194 VanDerWaalsContact NE-CG1 3.25Å; V194-N210 WeakPolarHBondContact CG2-O 3.28Å; V194-N210 PolarHBondContact N-O 2.84Å; V194-N210 WeakPolarHBondContact O-CB 3.28Å; V194-E211 WeakPolarHBondContact CG2-O 3.25Å; V194-D212 HydrophobicContact CG1-CB 4.35Å
195G91.4Very high93.6Very high12 Ų1239.1 Ų39.112%0.12423%0.226CC..  trans-69.1140.4167.400000110C197G195-C197 PolarHBondContact O-N 3.28Å
196F93.2Very high93.9Very high6 Ų639.9 Ų39.93%0.02622%0.218CC..  trans-56.4132.9171.7169.4-109.9000111.3G198 P200 A203 A207 L208 N210 V334 G336F196-G198 WeakPolarHBondContact CE1-O 3.16Å; F196-G198 VanDerWaalsContact CZ-C 3.48Å; F196-G198 WeakPolarHBondContact CZ-O 3.43Å; F196-P200 HydrophobicContact CE1-CB 4.41Å; F196-P200 HydrophobicContact CE1-CG 3.62Å; F196-P200 HydrophobicContact CZ-CB 4.46Å; F196-P200 HydrophobicContact CZ-CG 4.06Å; F196-A203 HydrophobicContact CE2-CB 3.45Å; F196-A203 VanDerWaalsContact CE2-CB 3.45Å; F196-A203 HydrophobicContact CZ-CB 3.73Å; F196-A207 HydrophobicContact CD2-CB 4.14Å; F196-A207 VanDerWaalsContact CD2-O 3.29Å; F196-A207 WeakPolarHBondContact CD2-O 3.28Å; F196-A207 HydrophobicContact CE2-CB 4.1Å; F196-L208 HydrophobicContact CE2-CD2 4.22Å; F196-L208 HydrophobicContact CZ-CD2 4.28Å; F196-N210 PolarHBondContact N-OD1 3.45Å; F196-V334 HydrophobicContact CD1-CB 3.78Å; F196-V334 HydrophobicContact CD1-CG1 3.97Å; F196-V334 HydrophobicContact CD1-CG2 4.24Å; F196-V334 HydrophobicContact CE1-CB 3.74Å; F196-V334 HydrophobicContact CE1-CG1 4.45Å; F196-V334 HydrophobicContact CE1-CG2 3.98Å; F196-G336 VanDerWaalsContact O-CA 3.31Å; F196-G336 WeakPolarHBondContact O-CA 3.45Å; F196-G336 PolarHBondContact O-N 2.9Å
197C92.4Very high94Very high0 Ų037.5 Ų37.50%020%0.201CC..  trans-126.8138.2171.8-62.50000109.6L176 G195 Q213 V334 G336 D339L176-C197 HydrophobicContact CD1-CB 4.4Å; L176-C197 HydrophobicContact CD2-CB 4.3Å; G195-C197 PolarHBondContact O-N 3.28Å; C197-Q213 PolarHBondContact O-NE2 3.05Å; C197-V334 CarbonylContact C-O 3.54Å; C197-V334 VanDerWaalsContact CA-O 3.24Å; C197-V334 WeakPolarHBondContact CA-O 3.32Å; C197-G336 PolarHBondContact SG-N 3.36Å; C197-D339 VanDerWaalsContact SG-CB 3.54Å; C197-D339 PolarHBondContact SG-OD2 3.29Å
198G94.3Very high94.1Very high1 Ų135.6 Ų35.61%0.0119%0.191CC..BIsolated β-bridgetrans117.4-173.6178.900000113.2R151 D152 F196 V334R151-G198 WeakPolarHBondContact O-CA 3.34Å; D152-G198 VanDerWaalsContact OD1-CA 3.29Å; D152-G198 WeakPolarHBondContact OD1-CA 3.44Å; F196-G198 WeakPolarHBondContact CE1-O 3.16Å; F196-G198 VanDerWaalsContact CZ-C 3.48Å; F196-G198 WeakPolarHBondContact CZ-O 3.43Å; G198-V334 PolarHBondContact N-O 2.64Å; G198-V334 PolarHBondContact O-N 3.2Å
199T94.9Very high94.1Very high3 Ų336.1 Ų36.12%0.01820%0.2CC..  trans-90.2119.4174.3-69.20000111.6D152 K154 H201 Y202 A203 D331 T333D152-T199 PolarHBondContact OD1-N 2.88Å; D152-T199 PolarHBondContact OD1-OG1 3.41Å; K154-T199 HydrophobicContact CD-CG2 4.37Å; K154-T199 VanDerWaalsContact CD-OG1 3.31Å; K154-T199 WeakPolarHBondContact CD-OG1 3.22Å; K154-T199 PolarHBondContact NZ-OG1 2.74Å; T199-H201 HydrophobicContact CG2-CB 4.08Å; T199-H201 PolarHBondContact O-N 2.86Å; T199-H201 VanDerWaalsContact O-N 3.09Å; T199-Y202 HydrophobicContact CG2-CD2 3.76Å; T199-Y202 HydrophobicContact CG2-CE2 4.05Å; T199-Y202 PolarHBondContact O-N 2.84Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 3.49Å; T199-D331 HydrophobicContact CG2-CB 3.88Å; T199-D331 PolarHBondContact OG1-O 2.99Å; T199-T333 PolarHBondContact OG1-OG1 2.82Å
200P95.6Very high94.1Very high24 Ų2434.8 Ų34.816%0.15619%0.189CC..THydrogen-bonded Turntrans-54.3-33.5-175-28.233.8000115.4F196 Y202 A203 L208 I245 K249 V334F196-P200 HydrophobicContact CE1-CB 4.41Å; F196-P200 HydrophobicContact CE1-CG 3.62Å; F196-P200 HydrophobicContact CZ-CB 4.46Å; F196-P200 HydrophobicContact CZ-CG 4.06Å; P200-Y202 VanDerWaalsContact C-N 3.33Å; P200-Y202 PolarHBondContact O-N 3.43Å; P200-A203 PolarHBondContact O-N 3.17Å; P200-L208 HydrophobicContact CB-CD2 3.86Å; P200-I245 HydrophobicContact CB-CD1 3.69Å; P200-K249 PolarHBondContact O-NZ 2.74Å; P200-V334 HydrophobicContact CG-CG2 4.36Å
201H96Very high94.2Very high9 Ų936.3 Ų36.34%0.04219%0.19CC..THydrogen-bonded Turntrans-57.5-45.1-179-165.551.2000111.5T199 E228 W236 K249 D331T199-H201 HydrophobicContact CG2-CB 4.08Å; T199-H201 PolarHBondContact O-N 2.86Å; T199-H201 VanDerWaalsContact O-N 3.09Å; H201-E228 IonicContact CD2-OE1 3.95Å; H201-E228 IonicContact NE2-OE1 3.69Å; H201-E228 PolarHBondContact NE2-OE1 3.18Å; H201-W236 AromaticContact CE1-CD1 3.7Å; H201-W236 AromaticContact CE1-NE1 3.82Å; H201-W236 AromaticContact ND1-CD1 3.35Å; H201-W236 AromaticContact ND1-NE1 3.47Å; H201-W236 PolarHBondContact ND1-NE1 2.83Å; H201-W236 PolarHBondContact O-NE1 2.65Å; H201-K249 PolarHBondContact O-NZ 2.75Å; H201-D331 WeakPolarHBondContact CB-OD1 3.38Å; H201-D331 IonicContact CD2-OD1 2.95Å; H201-D331 IonicContact CG-OD1 3.53Å
202Y97.6Very high94.3Very high3 Ų333.3 Ų33.31%0.01218%0.179CC..THydrogen-bonded Turntrans-97-15.9-179.3-49.2-81.4000113.9K154 P155 T199 P200 S221 Y224 M225 E228 L234 D331K154-Y202 HydrophobicContact CB-CD2 3.42Å; K154-Y202 VanDerWaalsContact CB-CD2 3.42Å; K154-Y202 HydrophobicContact CB-CE2 3.67Å; K154-Y202 HydrophobicContact CB-CG 3.97Å; K154-Y202 HydrophobicContact CD-CD2 4.44Å; P155-Y202 VanDerWaalsContact CD-CZ 3.4Å; P155-Y202 HydrophobicContact CG-CE1 4.15Å; T199-Y202 HydrophobicContact CG2-CD2 3.76Å; T199-Y202 HydrophobicContact CG2-CE2 4.05Å; T199-Y202 PolarHBondContact O-N 2.84Å; P200-Y202 VanDerWaalsContact C-N 3.33Å; P200-Y202 PolarHBondContact O-N 3.43Å; Y202-S221 VanDerWaalsContact O-CA 3.25Å; Y202-S221 WeakPolarHBondContact O-CA 3.36Å; Y202-S221 WeakPolarHBondContact O-CB 3.45Å; Y202-S221 PolarHBondContact O-OG 2.82Å; Y202-S221 VanDerWaalsContact O-OG 3.08Å; Y202-Y224 VanDerWaalsContact O-CD2 3.22Å; Y202-Y224 WeakPolarHBondContact O-CD2 3.27Å; Y202-M225 HydrophobicContact CD1-CB 4.36Å; Y202-E228 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E228 PolarHBondContact OH-OE2 2.82Å; Y202-L234 HydrophobicContact CD1-CD1 4.35Å; Y202-L234 HydrophobicContact CE1-CD1 4.41Å; Y202-D331 PolarHBondContact OH-OD2 3.47Å
203A97.8Very high94.6Very high7 Ų723.2 Ų23.26%0.05814%0.135CC..SBendtrans-61.2148.2-176.700000114.4F196 T199 P200 A207 L208 K249F196-A203 HydrophobicContact CE2-CB 3.45Å; F196-A203 VanDerWaalsContact CE2-CB 3.45Å; F196-A203 HydrophobicContact CZ-CB 3.73Å; T199-A203 WeakPolarHBondContact O-CB 3.46Å; T199-A203 PolarHBondContact O-N 3.49Å; P200-A203 PolarHBondContact O-N 3.17Å; A203-A207 HydrophobicContact CB-CB 4.23Å; A203-L208 HydrophobicContact CB-CD2 4.16Å; A203-L208 HydrophobicContact CB-CG 4.07Å; A203-K249 PolarHBondContact O-NZ 3.47Å
204S98Very high95.2Very high4 Ų419 Ų193%0.02811%0.106CC..  trans-65.4161172.877.70000112.4R206 A207 L208 D217S204-R206 PolarHBondContact O-N 2.69Å; S204-R206 PolarHBondContact OG-N 2.73Å; S204-A207 PolarHBondContact O-N 3.5Å; S204-A207 PolarHBondContact OG-N 2.87Å; S204-A207 VanDerWaalsContact OG-N 3.11Å; S204-L208 WeakPolarHBondContact O-CG 3.34Å; S204-L208 PolarHBondContact O-N 2.76Å; S204-D217 WeakPolarHBondContact CB-OD1 3.38Å; S204-D217 PolarHBondContact OG-OD1 3.41Å
205I97.6Very high95.6Very high50 Ų5018.9 Ų18.926%0.25610%0.104SC..Hα-helixtrans-57-41.6173.9-68168.7000110.8L208 A209 I246 K249 E250I205-L208 PolarHBondContact O-N 3.47Å; I205-A209 VanDerWaalsContact O-CB 3.3Å; I205-A209 WeakPolarHBondContact O-CB 3.31Å; I205-A209 PolarHBondContact O-N 3.35Å; I205-I246 HydrophobicContact CG2-CG2 4.12Å; I205-K249 HydrophobicContact CD1-CB 3.81Å; I205-K249 HydrophobicContact CG1-CB 3.74Å; I205-K249 HydrophobicContact CG1-CD 4.23Å; I205-E250 HydrophobicContact CD1-CG 3.87Å
206R96.1Very high95.9Very high52 Ų5218.3 Ų18.320%0.19610%0.099CC..Hα-helixtrans-59.8-47.6177.7-70.2-169.3-67.6-112.30.2112.5S204 L208 A209 N210 E211 D217 L276S204-R206 PolarHBondContact O-N 2.69Å; S204-R206 PolarHBondContact OG-N 2.73Å; R206-L208 VanDerWaalsContact C-N 3.34Å; R206-L208 PolarHBondContact O-N 2.98Å; R206-A209 CarbonylContact O-C 3.4Å; R206-A209 WeakPolarHBondContact O-CA 3.46Å; R206-A209 PolarHBondContact O-N 3.08Å; R206-A209 VanDerWaalsContact O-N 3.1Å; R206-N210 PolarHBondContact O-N 2.58Å; R206-E211 HydrophobicContact CB-CB 4.09Å; R206-E211 VanDerWaalsContact CD-OE2 3.31Å; R206-E211 WeakPolarHBondContact CD-OE2 3.39Å; R206-E211 VanDerWaalsContact CG-OE2 3.26Å; R206-E211 WeakPolarHBondContact CG-OE2 3.46Å; R206-E211 WeakPolarHBondContact O-CB 3.33Å; R206-E211 PolarHBondContact O-N 3.36Å; R206-D217 IonicContact CZ-OD1 3.34Å; R206-D217 IonicContact NE-OD1 3.1Å; R206-D217 PolarHBondContact NE-OD1 3.38Å; R206-D217 VanDerWaalsContact NE-OD1 3.08Å; R206-D217 IonicContact NE-OD2 3.81Å; R206-D217 IonicContact NH2-OD1 2.75Å; R206-D217 PolarHBondContact NH2-OD1 3.49Å; R206-D217 IonicContact NH2-OD2 3.99Å; R206-L276 PolarHBondContact NH1-O 3.2Å; R206-L276 PolarHBondContact NH2-O 3.22Å
207A96.3Very high96.1Very high1 Ų118 Ų181%0.00810%0.097CC..Hα-helixtrans-59.3-46.7176.800000110.9F196 A203 S204 A209 N210 Q213F196-A207 HydrophobicContact CD2-CB 4.14Å; F196-A207 VanDerWaalsContact CD2-O 3.29Å; F196-A207 WeakPolarHBondContact CD2-O 3.28Å; F196-A207 HydrophobicContact CE2-CB 4.1Å; A203-A207 HydrophobicContact CB-CB 4.23Å; S204-A207 PolarHBondContact O-N 3.5Å; S204-A207 PolarHBondContact OG-N 2.87Å; S204-A207 VanDerWaalsContact OG-N 3.11Å; A207-A209 PolarHBondContact O-N 3.11Å; A207-N210 PolarHBondContact O-N 3.46Å; A207-N210 VanDerWaalsContact O-N 3.08Å; A207-Q213 HydrophobicContact CB-CG 3.8Å
208L95.9Very high96.4Very high4 Ų418 Ų182%0.02110%0.097CC..Hα-helixtrans-62.3-30.9176.8-68.1170.7000112.8F196 P200 A203 S204 I205 R206 N210 R242 I245 I246 K249F196-L208 HydrophobicContact CE2-CD2 4.22Å; F196-L208 HydrophobicContact CZ-CD2 4.28Å; P200-L208 HydrophobicContact CB-CD2 3.86Å; A203-L208 HydrophobicContact CB-CD2 4.16Å; A203-L208 HydrophobicContact CB-CG 4.07Å; S204-L208 WeakPolarHBondContact O-CG 3.34Å; S204-L208 PolarHBondContact O-N 2.76Å; I205-L208 PolarHBondContact O-N 3.47Å; R206-L208 VanDerWaalsContact C-N 3.34Å; R206-L208 PolarHBondContact O-N 2.98Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.08Å; L208-R242 HydrophobicContact CD2-CB 4.34Å; L208-R242 HydrophobicContact CD2-CG 4.01Å; L208-I245 HydrophobicContact CD1-CB 4.25Å; L208-I245 HydrophobicContact CD1-CG2 3.62Å; L208-I246 HydrophobicContact CB-CD1 3.79Å; L208-I246 HydrophobicContact CB-CG1 3.7Å; L208-I246 HydrophobicContact CD1-CG1 3.98Å; L208-I246 HydrophobicContact CG-CG1 4.49Å; L208-K249 HydrophobicContact CD1-CD 4.11Å
209A94.7Very high96.6Very high46 Ų4618 Ų1838%0.3810%0.097SC..THydrogen-bonded Turntrans-81.87.6176.400000114.1I205 R206 A207 E211I205-A209 VanDerWaalsContact O-CB 3.3Å; I205-A209 WeakPolarHBondContact O-CB 3.31Å; I205-A209 PolarHBondContact O-N 3.35Å; R206-A209 CarbonylContact O-C 3.4Å; R206-A209 WeakPolarHBondContact O-CA 3.46Å; R206-A209 PolarHBondContact O-N 3.08Å; R206-A209 VanDerWaalsContact O-N 3.1Å; A207-A209 PolarHBondContact O-N 3.11Å; A209-E211 VanDerWaalsContact C-N 3.25Å; A209-E211 PolarHBondContact O-N 2.81Å
210N94.4Very high96.8Very high57 Ų5717.9 Ų17.931%0.30510%0.097SC..THydrogen-bonded Turntrans64.725-180-58.4-48.1000113.9V194 F196 R206 A207 L208 R242V194-N210 WeakPolarHBondContact CG2-O 3.28Å; V194-N210 PolarHBondContact N-O 2.84Å; V194-N210 WeakPolarHBondContact O-CB 3.28Å; F196-N210 PolarHBondContact N-OD1 3.45Å; R206-N210 PolarHBondContact O-N 2.58Å; A207-N210 PolarHBondContact O-N 3.46Å; A207-N210 VanDerWaalsContact O-N 3.08Å; L208-N210 VanDerWaalsContact C-N 3.26Å; L208-N210 PolarHBondContact O-N 3.08Å; N210-R242 PolarHBondContact OD1-NH1 2.9Å
211E94.4Very high97Very high101 Ų10117 Ų1747%0.4729%0.091SC..PPolyproline II helixtrans-79.7153.2167.7-62.8179-15300110.5V194 R206 A209 Q213V194-E211 WeakPolarHBondContact CG2-O 3.25Å; R206-E211 HydrophobicContact CB-CB 4.09Å; R206-E211 VanDerWaalsContact CD-OE2 3.31Å; R206-E211 WeakPolarHBondContact CD-OE2 3.39Å; R206-E211 VanDerWaalsContact CG-OE2 3.26Å; R206-E211 WeakPolarHBondContact CG-OE2 3.46Å; R206-E211 WeakPolarHBondContact O-CB 3.33Å; R206-E211 PolarHBondContact O-N 3.36Å; A209-E211 VanDerWaalsContact C-N 3.25Å; A209-E211 PolarHBondContact O-N 2.81Å; E211-Q213 PolarHBondContact O-N 3.08Å
212D94.6Very high97.1Very high6 Ų616.6 Ų16.63%0.0329%0.089CC..PPolyproline II helixtrans-67129.2178.5-154.812.5000110.4R178 P190 R191 V194 Y278R178-D212 IonicContact CZ-OD1 2.93Å; R178-D212 IonicContact CZ-OD2 3.88Å; R178-D212 IonicContact NE-OD1 3.54Å; R178-D212 IonicContact NH1-OD1 3.58Å; R178-D212 IonicContact NH1-OD2 2.87Å; R178-D212 IonicContact NH2-OD1 2.65Å; R178-D212 IonicContact NH2-OD2 2.78Å; R178-D212 PolarHBondContact NH2-OD2 3.36Å; R178-D212 VanDerWaalsContact NH2-OD2 3.11Å; P190-D212 HydrophobicContact CB-CB 4.13Å; R191-D212 HydrophobicContact CB-CB 4.21Å; R191-D212 WeakPolarHBondContact CB-OD2 3.19Å; R191-D212 WeakPolarHBondContact CG-OD2 3.46Å; R191-D212 IonicContact CZ-OD1 3.18Å; R191-D212 PolarHBondContact N-OD2 2.77Å; R191-D212 IonicContact NE-OD1 2.99Å; R191-D212 PolarHBondContact NE-OD1 3.1Å; R191-D212 VanDerWaalsContact NE-OD1 3.1Å; R191-D212 IonicContact NE-OD2 2.66Å; R191-D212 PolarHBondContact NE-OD2 2.84Å; R191-D212 IonicContact NH2-OD1 2.91Å; R191-D212 PolarHBondContact NH2-OD1 3.17Å; V194-D212 HydrophobicContact CG1-CB 4.35Å; D212-Y278 HydrophobicContact CB-CE2 3.93Å; D212-Y278 VanDerWaalsContact O-CD2 3.28Å; D212-Y278 WeakPolarHBondContact O-CD2 3.43Å; D212-Y278 WeakPolarHBondContact O-CE2 3.29Å
213Q96.7Very high97.2Very high7 Ų716.7 Ų16.73%0.0339%0.089CC..PPolyproline II helixtrans-75.6147.5-175.3-64.5-178.455.500111.1I149 R151 C197 A207 E211 D217 Y278I149-Q213 HydrophobicContact CD1-CB 3.86Å; I149-Q213 WeakPolarHBondContact CD1-O 3.49Å; R151-Q213 HydrophobicContact CG-CB 4.15Å; C197-Q213 PolarHBondContact O-NE2 3.05Å; A207-Q213 HydrophobicContact CB-CG 3.8Å; E211-Q213 PolarHBondContact O-N 3.08Å; Q213-D217 HydrophobicContact CB-CB 4.4Å; Q213-Y278 WeakPolarHBondContact O-CE2 3.22Å
214S97Very high97.2Very high1 Ų116.4 Ų16.41%0.0079%0.087CC..  trans-123.7175.7-177.569.80000111.9A216 D217S214-A216 PolarHBondContact O-N 2.88Å; S214-A216 PolarHBondContact OG-N 3.16Å; S214-D217 WeakPolarHBondContact CA-OD2 3.27Å; S214-D217 WeakPolarHBondContact CB-OD2 3.06Å; S214-D217 PolarHBondContact N-OD2 2.83Å; S214-D217 PolarHBondContact O-N 3.35Å; S214-D217 PolarHBondContact OG-OD2 3.19Å
215M97.9Very high97.2Very high2 Ų216.2 Ų16.21%0.019%0.086CC..Hα-helixtrans-59-27.1172.7-64.3173.8-70.600112.7H144 I149 I180 L187 D217 P282H144-M215 HydrophobicContact CB-CG 4.05Å; H144-M215 HydrophobicContact CB-SD 3.92Å; H144-M215 PolarHBondContact CE1-O 2.67Å; I149-M215 HydrophobicContact CG2-CB 4.35Å; I149-M215 HydrophobicContact CG2-CG 3.74Å; I180-M215 HydrophobicContact CD1-CG 4.41Å; I180-M215 HydrophobicContact CG2-CG 4.49Å; L187-M215 HydrophobicContact CD1-CE 4.29Å; M215-D217 VanDerWaalsContact C-N 3.34Å; M215-P282 HydrophobicContact CB-CG 3.97Å
216A98.1Very high97.2Very high0 Ų013.9 Ų13.90%07%0.073CC..Hα-helixtrans-69.6-33.517700000111.8S214 D218 L219 V220 L276S214-A216 PolarHBondContact O-N 2.88Å; S214-A216 PolarHBondContact OG-N 3.16Å; A216-D218 PolarHBondContact O-N 2.91Å; A216-L219 CarbonylContact O-C 3.53Å; A216-L219 PolarHBondContact O-N 3.34Å; A216-L219 VanDerWaalsContact O-N 3.12Å; A216-V220 WeakPolarHBondContact O-CG2 3.21Å; A216-V220 PolarHBondContact O-N 2.95Å; A216-L276 HydrophobicContact CB-CB 3.61Å; A216-L276 HydrophobicContact CB-CD1 3.94Å; A216-L276 HydrophobicContact CB-CG 4.42Å
217D98.6Very high97.3Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-69.1-35.9-176.3-58.7-65.7000111.7S204 R206 Q213 S214 M215 L219 V220 S221S204-D217 WeakPolarHBondContact CB-OD1 3.38Å; S204-D217 PolarHBondContact OG-OD1 3.41Å; R206-D217 IonicContact CZ-OD1 3.34Å; R206-D217 IonicContact NE-OD1 3.1Å; R206-D217 PolarHBondContact NE-OD1 3.38Å; R206-D217 VanDerWaalsContact NE-OD1 3.08Å; R206-D217 IonicContact NE-OD2 3.81Å; R206-D217 IonicContact NH2-OD1 2.75Å; R206-D217 PolarHBondContact NH2-OD1 3.49Å; R206-D217 IonicContact NH2-OD2 3.99Å; Q213-D217 HydrophobicContact CB-CB 4.4Å; S214-D217 WeakPolarHBondContact CA-OD2 3.27Å; S214-D217 WeakPolarHBondContact CB-OD2 3.06Å; S214-D217 PolarHBondContact N-OD2 2.83Å; S214-D217 PolarHBondContact O-N 3.35Å; S214-D217 PolarHBondContact OG-OD2 3.19Å; M215-D217 VanDerWaalsContact C-N 3.34Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.19Å; D217-V220 PolarHBondContact O-N 3.32Å; D217-S221 PolarHBondContact O-N 2.96Å; D217-S221 PolarHBondContact O-OG 2.9Å; D217-S221 VanDerWaalsContact O-OG 3.07Å
218D98.7Very high97.4Very high0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-60.7-38.4170.1-77.5-20.1000112.3L140 H144 I149 H150 R151 V153 A216 S221 L222L140-D218 HydrophobicContact CD1-CB 4.26Å; L140-D218 HydrophobicContact CD2-CB 4.11Å; H144-D218 IonicContact CD2-OD2 3.8Å; H144-D218 IonicContact CE1-OD2 3.11Å; H144-D218 IonicContact NE2-OD2 3.52Å; H144-D218 PolarHBondContact NE2-OD2 3.37Å; I149-D218 WeakPolarHBondContact CA-OD2 3.42Å; I149-D218 WeakPolarHBondContact CB-OD2 3.37Å; H150-D218 PolarHBondContact N-OD2 3.07Å; R151-D218 WeakPolarHBondContact CA-OD1 3.32Å; R151-D218 PolarHBondContact N-OD1 3.07Å; V153-D218 HydrophobicContact CG2-CB 4.01Å; A216-D218 PolarHBondContact O-N 2.91Å; D218-S221 PolarHBondContact O-N 3.01Å; D218-L222 PolarHBondContact O-N 3.4Å
219L98.8Very high97.4Very high0 Ų011.4 Ų11.40%06%0.064CC..Hα-helixtrans-76.1-28.7178.6-65.9171.8000112.9L140 A216 D217 L222 F223 V273 P282 Y284 L287L140-L219 HydrophobicContact CD1-CD2 3.92Å; A216-L219 CarbonylContact O-C 3.53Å; A216-L219 PolarHBondContact O-N 3.34Å; A216-L219 VanDerWaalsContact O-N 3.12Å; D217-L219 VanDerWaalsContact C-N 3.29Å; D217-L219 PolarHBondContact O-N 3.19Å; L219-L222 HydrophobicContact CD2-CD2 4.29Å; L219-F223 WeakPolarHBondContact O-CB 3.3Å; L219-F223 PolarHBondContact O-N 3.17Å; L219-V273 HydrophobicContact CB-CB 4.25Å; L219-V273 HydrophobicContact CB-CG1 3.78Å; L219-P282 HydrophobicContact CD1-CB 3.31Å; L219-P282 HydrophobicContact CD1-CG 3.64Å; L219-Y284 HydrophobicContact CD1-CD1 4.41Å; L219-Y284 HydrophobicContact CD1-CE1 3.9Å; L219-Y284 HydrophobicContact CD2-CE1 4.35Å; L219-L287 HydrophobicContact CD1-CD1 3.84Å; L219-L287 HydrophobicContact CD2-CD1 4Å; L219-L287 HydrophobicContact CG-CD1 4.43Å
220V98.8Very high97.4Very high2 Ų210.5 Ų10.51%0.0125%0.054CC..Hα-helixtrans-67.6-43.6170.3170.50000110.2A216 D217 L222 F223 Y224 V273 L274A216-V220 WeakPolarHBondContact O-CG2 3.21Å; A216-V220 PolarHBondContact O-N 2.95Å; D217-V220 PolarHBondContact O-N 3.32Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 3.27Å; V220-F223 WeakPolarHBondContact O-CB 3.47Å; V220-F223 PolarHBondContact O-N 2.8Å; V220-F223 VanDerWaalsContact O-N 3.12Å; V220-Y224 HydrophobicContact CG1-CD2 4.14Å; V220-Y224 HydrophobicContact CG1-CE1 4.18Å; V220-Y224 HydrophobicContact CG1-CE2 3.5Å; V220-Y224 VanDerWaalsContact CG1-CE2 3.5Å; V220-Y224 PolarHBondContact O-N 3.39Å; V220-V273 HydrophobicContact CG2-CB 4.19Å; V220-V273 HydrophobicContact CG2-CG2 4.02Å; V220-L274 HydrophobicContact CG1-CD2 3.95Å; V220-L274 HydrophobicContact CG2-CD2 3.9Å
221S98.7Very high97.5Very high6 Ų69.5 Ų9.54%0.0425%0.051CC..Hα-helixtrans-61-42.8174.2-58.40000111.8V153 Y202 D217 D218 F223 Y224 M225V153-S221 WeakPolarHBondContact O-CB 3.31Å; Y202-S221 VanDerWaalsContact O-CA 3.25Å; Y202-S221 WeakPolarHBondContact O-CA 3.36Å; Y202-S221 WeakPolarHBondContact O-CB 3.45Å; Y202-S221 PolarHBondContact O-OG 2.82Å; Y202-S221 VanDerWaalsContact O-OG 3.08Å; D217-S221 PolarHBondContact O-N 2.96Å; D217-S221 PolarHBondContact O-OG 2.9Å; D217-S221 VanDerWaalsContact O-OG 3.07Å; D218-S221 PolarHBondContact O-N 3.01Å; S221-F223 PolarHBondContact O-N 3.47Å; S221-Y224 PolarHBondContact O-N 3.28Å; S221-M225 WeakPolarHBondContact O-CB 3.31Å; S221-M225 PolarHBondContact O-N 3.42Å
222L98.8Very high97.5Very high0 Ų05.5 Ų5.50%04%0.037CC..Hα-helixtrans-59.3-4317117557.7000112.3C136 V137 L140 V153 D218 L219 V220 M225 L226 F269C136-L222 HydrophobicContact CB-CD1 3.57Å; C136-L222 HydrophobicContact CB-CD2 3.8Å; C136-L222 HydrophobicContact CB-CG 4.37Å; V137-L222 HydrophobicContact CG2-CD2 3.67Å; L140-L222 HydrophobicContact CD1-CB 4.35Å; L140-L222 HydrophobicContact CD1-CD2 4.01Å; V153-L222 HydrophobicContact CG1-CB 4.26Å; D218-L222 PolarHBondContact O-N 3.4Å; L219-L222 HydrophobicContact CD2-CD2 4.29Å; V220-L222 VanDerWaalsContact C-N 3.34Å; V220-L222 PolarHBondContact O-N 3.27Å; L222-M225 HydrophobicContact CD1-CE 3.35Å; L222-M225 PolarHBondContact O-N 3.02Å; L222-L226 HydrophobicContact CD1-CD1 3.92Å; L222-L226 HydrophobicContact CD1-CD2 4.34Å; L222-L226 HydrophobicContact CD1-CG 3.88Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.39Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.24Å; L222-L226 PolarHBondContact O-N 2.89Å; L222-F269 HydrophobicContact CD2-CZ 4.06Å; L222-F269 HydrophobicContact CG-CZ 4.25Å
223F98.8Very high97.5Very high4 Ų412.6 Ų12.62%0.0187%0.068CC..Hα-helixtrans-59.4-48.2177.1166.2-121.2000111.9L219 V220 S221 L226 C227 I258 L266 F269 V273 L274L219-F223 WeakPolarHBondContact O-CB 3.3Å; L219-F223 PolarHBondContact O-N 3.17Å; V220-F223 WeakPolarHBondContact O-CB 3.47Å; V220-F223 PolarHBondContact O-N 2.8Å; V220-F223 VanDerWaalsContact O-N 3.12Å; S221-F223 PolarHBondContact O-N 3.47Å; F223-L226 PolarHBondContact O-N 3.47Å; F223-C227 WeakPolarHBondContact CE2-SG 3.48Å; F223-C227 PolarHBondContact O-N 3.1Å; F223-C227 PolarHBondContact O-SG 3.18Å; F223-I258 HydrophobicContact CD1-CG2 4.42Å; F223-I258 HydrophobicContact CE1-CB 4.11Å; F223-I258 HydrophobicContact CE1-CD1 4.49Å; F223-I258 HydrophobicContact CE1-CG2 3.43Å; F223-I258 VanDerWaalsContact CE1-CG2 3.43Å; F223-I258 HydrophobicContact CZ-CB 4.06Å; F223-I258 HydrophobicContact CZ-CG2 3.61Å; F223-L266 HydrophobicContact CD2-CD2 4.32Å; F223-L266 HydrophobicContact CE2-CB 4.22Å; F223-L266 WeakPolarHBondContact CE2-O 3.48Å; F223-F269 HydrophobicContact CB-CD1 3.82Å; F223-F269 HydrophobicContact CB-CE1 3.87Å; F223-F269 HydrophobicContact CD2-CD1 4.04Å; F223-F269 HydrophobicContact CG-CD1 4.26Å; F223-V273 HydrophobicContact CB-CG2 3.96Å; F223-V273 HydrophobicContact CD1-CG2 4.43Å; F223-V273 HydrophobicContact CG-CG2 4.29Å; F223-L274 HydrophobicContact CD1-CD1 4.45Å; F223-L274 HydrophobicContact CE1-CD1 3.98Å
224Y98.5Very high97.4Very high2 Ų212.8 Ų12.81%0.0087%0.069CC..Hα-helixtrans-63.6-42.9177.1-61.1-23.6000111.7Y202 V220 S221 L226 C227 E228 L234 W236 K249 I258Y202-Y224 VanDerWaalsContact O-CD2 3.22Å; Y202-Y224 WeakPolarHBondContact O-CD2 3.27Å; V220-Y224 HydrophobicContact CG1-CD2 4.14Å; V220-Y224 HydrophobicContact CG1-CE1 4.18Å; V220-Y224 HydrophobicContact CG1-CE2 3.5Å; V220-Y224 VanDerWaalsContact CG1-CE2 3.5Å; V220-Y224 PolarHBondContact O-N 3.39Å; S221-Y224 PolarHBondContact O-N 3.28Å; Y224-L226 VanDerWaalsContact C-N 3.33Å; Y224-L226 PolarHBondContact O-N 3.26Å; Y224-C227 WeakPolarHBondContact O-CB 3.33Å; Y224-C227 PolarHBondContact O-N 3.31Å; Y224-E228 PolarHBondContact O-N 3.17Å; Y224-L234 WeakPolarHBondContact O-CD2 3.45Å; Y224-W236 AromaticContact CD1-CH2 3.59Å; Y224-W236 HydrophobicContact CD1-CH2 3.59Å; Y224-W236 AromaticContact CD1-CZ2 3.95Å; Y224-W236 HydrophobicContact CD1-CZ2 3.95Å; Y224-W236 HydrophobicContact CD2-CH2 4.1Å; Y224-W236 AromaticContact CD2-CZ2 3.73Å; Y224-W236 HydrophobicContact CD2-CZ2 3.73Å; Y224-W236 AromaticContact CE1-CH2 3.62Å; Y224-W236 HydrophobicContact CE1-CH2 3.62Å; Y224-W236 HydrophobicContact CE1-CZ2 4.24Å; Y224-W236 HydrophobicContact CE2-CH2 4.14Å; Y224-W236 HydrophobicContact CE2-CZ2 4.05Å; Y224-W236 AromaticContact CG-CH2 3.86Å; Y224-W236 HydrophobicContact CG-CH2 3.86Å; Y224-W236 AromaticContact CG-CZ2 3.69Å; Y224-W236 HydrophobicContact CG-CZ2 3.69Å; Y224-W236 AromaticContact CZ-CH2 3.9Å; Y224-K249 HydrophobicContact CE2-CD 4Å; Y224-I258 HydrophobicContact CD1-CG2 3.87Å; Y224-I258 HydrophobicContact CE1-CD1 4.26Å; Y224-I258 HydrophobicContact CE1-CG2 3.88Å
225M97.9Very high97.4Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-55.9-47173.9-177.5-17970.100111.6K154 P155 I158 Y202 S221 L222 C227 E228 L229K154-M225 VanDerWaalsContact C-SD 3.59Å; P155-M225 HydrophobicContact CG-CG 3.76Å; P155-M225 HydrophobicContact CG-SD 4.06Å; I158-M225 HydrophobicContact CG1-CE 4.07Å; I158-M225 HydrophobicContact CG1-SD 3.91Å; Y202-M225 HydrophobicContact CD1-CB 4.36Å; S221-M225 WeakPolarHBondContact O-CB 3.31Å; S221-M225 PolarHBondContact O-N 3.42Å; L222-M225 HydrophobicContact CD1-CE 3.35Å; L222-M225 PolarHBondContact O-N 3.02Å; M225-C227 PolarHBondContact O-N 3.24Å; M225-E228 PolarHBondContact O-N 2.98Å; M225-L229 HydrophobicContact CG-CD1 4.12Å; M225-L229 HydrophobicContact CG-CG 4.45Å; M225-L229 VanDerWaalsContact O-CG 3.29Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3Å
226L98.5Very high97.3Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-66.5-36.6179.5-66.6170.1000112.8A129 L222 F223 Y224 E228 L229 V230 W265 L266 F269A129-L226 VanDerWaalsContact O-CD2 3.29Å; A129-L226 WeakPolarHBondContact O-CD2 3.29Å; L222-L226 HydrophobicContact CD1-CD1 3.92Å; L222-L226 HydrophobicContact CD1-CD2 4.34Å; L222-L226 HydrophobicContact CD1-CG 3.88Å; L222-L226 HydrophobicContact CG-CD1 4.01Å; L222-L226 HydrophobicContact CG-CG 4.39Å; L222-L226 VanDerWaalsContact O-CG 3.26Å; L222-L226 WeakPolarHBondContact O-CG 3.24Å; L222-L226 PolarHBondContact O-N 2.89Å; F223-L226 PolarHBondContact O-N 3.47Å; Y224-L226 VanDerWaalsContact C-N 3.33Å; Y224-L226 PolarHBondContact O-N 3.26Å; L226-E228 VanDerWaalsContact C-N 3.35Å; L226-L229 HydrophobicContact CD2-CD1 4.25Å; L226-L229 PolarHBondContact O-N 2.86Å; L226-V230 WeakPolarHBondContact O-CG2 3.44Å; L226-V230 PolarHBondContact O-N 2.8Å; L226-V230 VanDerWaalsContact O-N 3.14Å; L226-W265 HydrophobicContact CB-CH2 4.44Å; L226-W265 HydrophobicContact CD1-CH2 4.22Å; L226-W265 HydrophobicContact CD1-CZ3 4.26Å; L226-L266 HydrophobicContact CB-CD2 3.66Å; L226-L266 HydrophobicContact CD1-CD2 4.24Å; L226-F269 HydrophobicContact CD1-CE2 4.31Å; L226-F269 HydrophobicContact CD1-CZ 4.38Å
227C98.2Very high97Very high1 Ų118.3 Ų18.31%0.00711%0.105CC..Hα-helixtrans-58.6-49171.6-72.70000110.8F223 Y224 M225 L229 V230 S231 L234 I258F223-C227 WeakPolarHBondContact CE2-SG 3.48Å; F223-C227 PolarHBondContact O-N 3.1Å; F223-C227 PolarHBondContact O-SG 3.18Å; Y224-C227 WeakPolarHBondContact O-CB 3.33Å; Y224-C227 PolarHBondContact O-N 3.31Å; M225-C227 PolarHBondContact O-N 3.24Å; C227-L229 PolarHBondContact O-N 3.3Å; C227-V230 PolarHBondContact O-N 2.89Å; C227-S231 PolarHBondContact O-N 3.29Å; C227-S231 PolarHBondContact O-OG 2.96Å; C227-L234 HydrophobicContact CB-CD2 3.97Å; C227-I258 PolarHBondContact SG-O 2.85Å; C227-I258 VanDerWaalsContact SG-O 3.36Å
228E96.7Very high96.5Very high4 Ų421 Ų212%0.01912%0.116CC..Hα-helixtrans-61.9-43179.1-163178.2-118.400112.3H201 Y202 Y224 M225 L226 V230 S231 G232 L234H201-E228 IonicContact CD2-OE1 3.95Å; H201-E228 IonicContact NE2-OE1 3.69Å; H201-E228 PolarHBondContact NE2-OE1 3.18Å; Y202-E228 WeakPolarHBondContact CE1-OE2 3.16Å; Y202-E228 PolarHBondContact OH-OE2 2.82Å; Y224-E228 PolarHBondContact O-N 3.17Å; M225-E228 PolarHBondContact O-N 2.98Å; L226-E228 VanDerWaalsContact C-N 3.35Å; E228-V230 VanDerWaalsContact C-N 3.26Å; E228-V230 PolarHBondContact O-N 2.77Å; E228-S231 PolarHBondContact O-N 2.95Å; E228-G232 CarbonylContact O-C 3.42Å; E228-G232 WeakPolarHBondContact O-CA 3.45Å; E228-G232 PolarHBondContact O-N 2.83Å; E228-L234 HydrophobicContact CB-CD1 4.44Å; E228-L234 HydrophobicContact CB-CD2 4.49Å; E228-L234 HydrophobicContact CB-CG 4.01Å; E228-L234 HydrophobicContact CG-CG 4.36Å
229L95.9Very high95.9Very high1 Ų127 Ų271%0.00515%0.149CC..Hα-helixtrans-58.9-39.2176.6-67.9167.8000111.3L112 Q116 I124 A129 I132 M225 L226 C227L112-L229 HydrophobicContact CD1-CD1 4.27Å; Q116-L229 VanDerWaalsContact CD-CD2 3.48Å; Q116-L229 HydrophobicContact CG-CD2 3.9Å; I124-L229 WeakPolarHBondContact CB-O 3.15Å; I124-L229 HydrophobicContact CD1-CB 4.37Å; I124-L229 HydrophobicContact CD1-CD2 3.56Å; I124-L229 HydrophobicContact CD1-CG 4.5Å; I124-L229 PolarHBondContact N-O 3.14Å; A129-L229 HydrophobicContact CB-CB 4.43Å; I132-L229 HydrophobicContact CD1-CD1 4.5Å; I132-L229 HydrophobicContact CG2-CD1 4.3Å; M225-L229 HydrophobicContact CG-CD1 4.12Å; M225-L229 HydrophobicContact CG-CG 4.45Å; M225-L229 VanDerWaalsContact O-CG 3.29Å; M225-L229 WeakPolarHBondContact O-CG 3.36Å; M225-L229 PolarHBondContact O-N 3Å; L226-L229 HydrophobicContact CD2-CD1 4.25Å; L226-L229 PolarHBondContact O-N 2.86Å; C227-L229 PolarHBondContact O-N 3.3Å
230V96.4Very high95.6Very high27 Ų2729 Ų2916%0.16416%0.159CC..Hα-helixtrans-80.4-26.1-177.8173.40000113.4P123 A129 L226 C227 E228 P260 A263 W265 L266P123-V230 WeakPolarHBondContact CB-O 3.31Å; A129-V230 HydrophobicContact CB-CG2 3.55Å; L226-V230 WeakPolarHBondContact O-CG2 3.44Å; L226-V230 PolarHBondContact O-N 2.8Å; L226-V230 VanDerWaalsContact O-N 3.14Å; C227-V230 PolarHBondContact O-N 2.89Å; E228-V230 VanDerWaalsContact C-N 3.26Å; E228-V230 PolarHBondContact O-N 2.77Å; V230-P260 HydrophobicContact CB-CG 4.19Å; V230-P260 HydrophobicContact CG1-CG 3.83Å; V230-A263 HydrophobicContact CG1-CB 4.43Å; V230-W265 HydrophobicContact CG2-CZ2 4.22Å; V230-L266 HydrophobicContact CB-CD1 4.31Å; V230-L266 HydrophobicContact CG2-CD1 4.1Å
231S95.3Very high95.3Very high36 Ų3631.7 Ų31.725%0.25218%0.178SC..Hα-helixtrans-111.8-11.3-175.463.20000114.7C227 E228 K233C227-S231 PolarHBondContact O-N 3.29Å; C227-S231 PolarHBondContact O-OG 2.96Å; E228-S231 PolarHBondContact O-N 2.95Å; S231-K233 PolarHBondContact O-N 2.97Å; S231-K233 PolarHBondContact OG-N 3.5Å; S231-K233 PolarHBondContact OG-O 3.1Å
232G94.1Very high95.1Very high17 Ų1736.5 Ų36.518%0.17520%0.195CC..SBendtrans76-9.3-168.400000114.8Y121 E228Y121-G232 WeakPolarHBondContact O-CA 3.37Å; E228-G232 CarbonylContact O-C 3.42Å; E228-G232 WeakPolarHBondContact O-CA 3.45Å; E228-G232 PolarHBondContact O-N 2.83Å
233K94.2Very high94.9Very high155 Ų15544 Ų4467%0.67423%0.228SC*.SBendtrans-158.9150.9-176.665.6-176.6179.1-175.80114.3S231S231-K233 PolarHBondContact O-N 2.97Å; S231-K233 PolarHBondContact OG-N 3.5Å; S231-K233 PolarHBondContact OG-O 3.1Å
234L96Very high94.8Very high10 Ų1047.8 Ų47.85%0.05225%0.246CC..  trans-85.9157.6166.4-73.5166.8000112Y202 Y224 C227 E228 W236Y202-L234 HydrophobicContact CD1-CD1 4.35Å; Y202-L234 HydrophobicContact CE1-CD1 4.41Å; Y224-L234 WeakPolarHBondContact O-CD2 3.45Å; C227-L234 HydrophobicContact CB-CD2 3.97Å; E228-L234 HydrophobicContact CB-CD1 4.44Å; E228-L234 HydrophobicContact CB-CD2 4.49Å; E228-L234 HydrophobicContact CB-CG 4.01Å; E228-L234 HydrophobicContact CG-CG 4.36Å; L234-W236 HydrophobicContact CB-CD2 4.17Å; L234-W236 HydrophobicContact CB-CG 4.46Å; L234-W236 HydrophobicContact CB-CZ2 4.13Å; L234-W236 HydrophobicContact CD1-CZ2 3.69Å; L234-W236 HydrophobicContact CD2-CH2 4.04Å; L234-W236 HydrophobicContact CD2-CZ2 3.82Å; L234-W236 HydrophobicContact CG-CZ2 4.08Å; L234-W236 PolarHBondContact O-N 2.99Å
235P95.9Very high94.7Very high51 Ų5148 Ų4833%0.33125%0.247SC..SBendtrans-64.1-21.3176.9-23.434000114.5T257P235-T257 WeakPolarHBondContact CG-O 3.48Å
236W95.7Very high94.7Very high2 Ų249.3 Ų49.31%0.00825%0.254CS..SBendtrans-95.1128.8171.446.292000110.3H201 Y224 L234 L240 Y248 K249 I258H201-W236 AromaticContact CE1-CD1 3.7Å; H201-W236 AromaticContact CE1-NE1 3.82Å; H201-W236 AromaticContact ND1-CD1 3.35Å; H201-W236 AromaticContact ND1-NE1 3.47Å; H201-W236 PolarHBondContact ND1-NE1 2.83Å; H201-W236 PolarHBondContact O-NE1 2.65Å; Y224-W236 AromaticContact CD1-CH2 3.59Å; Y224-W236 HydrophobicContact CD1-CH2 3.59Å; Y224-W236 AromaticContact CD1-CZ2 3.95Å; Y224-W236 HydrophobicContact CD1-CZ2 3.95Å; Y224-W236 HydrophobicContact CD2-CH2 4.1Å; Y224-W236 AromaticContact CD2-CZ2 3.73Å; Y224-W236 HydrophobicContact CD2-CZ2 3.73Å; Y224-W236 AromaticContact CE1-CH2 3.62Å; Y224-W236 HydrophobicContact CE1-CH2 3.62Å; Y224-W236 HydrophobicContact CE1-CZ2 4.24Å; Y224-W236 HydrophobicContact CE2-CH2 4.14Å; Y224-W236 HydrophobicContact CE2-CZ2 4.05Å; Y224-W236 AromaticContact CG-CH2 3.86Å; Y224-W236 HydrophobicContact CG-CH2 3.86Å; Y224-W236 AromaticContact CG-CZ2 3.69Å; Y224-W236 HydrophobicContact CG-CZ2 3.69Å; Y224-W236 AromaticContact CZ-CH2 3.9Å; L234-W236 HydrophobicContact CB-CD2 4.17Å; L234-W236 HydrophobicContact CB-CG 4.46Å; L234-W236 HydrophobicContact CB-CZ2 4.13Å; L234-W236 HydrophobicContact CD1-CZ2 3.69Å; L234-W236 HydrophobicContact CD2-CH2 4.04Å; L234-W236 HydrophobicContact CD2-CZ2 3.82Å; L234-W236 HydrophobicContact CG-CZ2 4.08Å; L234-W236 PolarHBondContact O-N 2.99Å; W236-L240 HydrophobicContact CB-CD1 4.4Å; W236-Y248 HydrophobicContact CB-CD1 4.48Å; W236-Y248 HydrophobicContact CB-CD2 4.46Å; W236-Y248 HydrophobicContact CB-CG 4Å; W236-K249 HydrophobicContact CD2-CG 3.89Å; W236-K249 HydrophobicContact CE3-CG 3.65Å; W236-K249 HydrophobicContact CH2-CD 4.41Å; W236-K249 HydrophobicContact CH2-CG 3.83Å; W236-K249 HydrophobicContact CZ2-CD 4.25Å; W236-K249 HydrophobicContact CZ2-CG 4.04Å; W236-K249 HydrophobicContact CZ3-CB 4.45Å; W236-K249 HydrophobicContact CZ3-CG 3.63Å; W236-I258 HydrophobicContact CH2-CG2 4.07Å; W236-I258 HydrophobicContact CZ3-CG1 4.36Å; W236-I258 HydrophobicContact CZ3-CG2 4.3Å
237P92.5Very high94.6Very high67 Ų6757.4 Ų57.444%0.43528%0.284SS..PPolyproline II helixtrans-57.1153.5170.4-25.732000113.4L240P237-L240 HydrophobicContact CB-CD1 4.27Å; P237-L240 HydrophobicContact CB-CG 4.3Å; P237-L240 HydrophobicContact CG-CD1 4.36Å; P237-L240 WeakPolarHBondContact O-CD1 3.5Å
238K88.7Confident94.6Very high55 Ų5562.2 Ų62.224%0.23930%0.303CS..SBendtrans-66165.7163.7-60.4-164.9-179.1-163.50110.3L240 D331K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.48Å; K238-D331 IonicContact NZ-OD2 3.12Å; K238-D331 PolarHBondContact NZ-OD2 3.09Å
239N86.5Confident94.6Very high127 Ų12762 Ų6268%0.67930%0.302SS*.SBendtrans63.925176.5-51.9-35.7000116.1
240L91.9Very high94.7Very high41 Ų4165.8 Ų65.822%0.21532%0.32CS..  trans-89.8153.2172.3-68.8-179.6000111.8W236 P237 K238 E244 I245 Y248W236-L240 HydrophobicContact CB-CD1 4.4Å; P237-L240 HydrophobicContact CB-CD1 4.27Å; P237-L240 HydrophobicContact CB-CG 4.3Å; P237-L240 HydrophobicContact CG-CD1 4.36Å; P237-L240 WeakPolarHBondContact O-CD1 3.5Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.48Å; L240-E244 HydrophobicContact CB-CB 4.07Å; L240-E244 HydrophobicContact CD1-CB 4.39Å; L240-E244 HydrophobicContact CD2-CB 4.38Å; L240-I245 HydrophobicContact CB-CD1 4.3Å; L240-I245 HydrophobicContact CB-CG1 3.62Å; L240-I245 HydrophobicContact CD1-CG1 4.47Å; L240-Y248 HydrophobicContact CD1-CD2 3.55Å; L240-Y248 HydrophobicContact CD1-CE2 3.55Å
241S93Very high94.7Very high60 Ų6066.3 Ų66.342%0.4232%0.324SS..  trans-65.6154.2169.173.40000110.8K243 E244 I245S241-K243 PolarHBondContact O-N 3.23Å; S241-K243 VanDerWaalsContact O-N 3.1Å; S241-E244 WeakPolarHBondContact CB-OE2 3.24Å; S241-E244 PolarHBondContact N-OE2 2.75Å; S241-E244 WeakPolarHBondContact O-CB 3.34Å; S241-E244 PolarHBondContact O-N 3.11Å; S241-E244 WeakPolarHBondContact OG-CG 3.29Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-E244 PolarHBondContact OG-OE2 3.1Å; S241-I245 WeakPolarHBondContact O-CG1 3.48Å; S241-I245 PolarHBondContact O-N 3.37Å
242R92.8Very high94.8Very high107 Ų10764.9 Ų64.940%0.40431%0.314SS..Hα-helixtrans-51.9-38.5177.3-68.3-171.4-69.5161.5-6.5113L208 N210 I245 I246L208-R242 HydrophobicContact CD2-CB 4.34Å; L208-R242 HydrophobicContact CD2-CG 4.01Å; N210-R242 PolarHBondContact OD1-NH1 2.9Å; R242-I245 PolarHBondContact O-N 2.75Å; R242-I246 VanDerWaalsContact O-CG1 3.31Å; R242-I246 WeakPolarHBondContact O-CG1 3.46Å; R242-I246 PolarHBondContact O-N 3.03Å
243K95.2Very high94.9Very high158 Ų15869.7 Ų69.769%0.68733%0.331SS*.Hα-helixtrans-66.1-38.6178.6-69.7-174.4-178.9179.60112.1S241 R247S241-K243 PolarHBondContact O-N 3.23Å; S241-K243 VanDerWaalsContact O-N 3.1Å; K243-R247 WeakPolarHBondContact O-CG 3.38Å; K243-R247 PolarHBondContact O-N 3.28Å
244E96.6Very high94.9Very high82 Ų8271.5 Ų71.538%0.38333%0.333SS..Hα-helixtrans-70.1-43.6176.8-70.1163.212700111L240 S241 I246 R247 Y248L240-E244 HydrophobicContact CB-CB 4.07Å; L240-E244 HydrophobicContact CD1-CB 4.39Å; L240-E244 HydrophobicContact CD2-CB 4.38Å; S241-E244 WeakPolarHBondContact CB-OE2 3.24Å; S241-E244 PolarHBondContact N-OE2 2.75Å; S241-E244 WeakPolarHBondContact O-CB 3.34Å; S241-E244 PolarHBondContact O-N 3.11Å; S241-E244 WeakPolarHBondContact OG-CG 3.29Å; S241-E244 PolarHBondContact OG-N 3.49Å; S241-E244 PolarHBondContact OG-OE2 3.1Å; E244-I246 VanDerWaalsContact C-N 3.31Å; E244-I246 PolarHBondContact O-N 3.41Å; E244-R247 PolarHBondContact O-N 3.29Å; E244-R247 VanDerWaalsContact O-N 3.14Å; E244-Y248 WeakPolarHBondContact O-CD2 3.31Å; E244-Y248 PolarHBondContact O-N 3.1Å
245I96.3Very high94.8Very high7 Ų777.3 Ų77.34%0.03636%0.36CS..Hα-helixtrans-57.3-45.3176.3-62.3171.7000110.6P200 L208 L240 S241 R242 R247 Y248 K249P200-I245 HydrophobicContact CB-CD1 3.69Å; L208-I245 HydrophobicContact CD1-CB 4.25Å; L208-I245 HydrophobicContact CD1-CG2 3.62Å; L240-I245 HydrophobicContact CB-CD1 4.3Å; L240-I245 HydrophobicContact CB-CG1 3.62Å; L240-I245 HydrophobicContact CD1-CG1 4.47Å; S241-I245 WeakPolarHBondContact O-CG1 3.48Å; S241-I245 PolarHBondContact O-N 3.37Å; R242-I245 PolarHBondContact O-N 2.75Å; I245-R247 PolarHBondContact O-N 3.44Å; I245-Y248 PolarHBondContact O-N 2.88Å; I245-K249 HydrophobicContact CG2-CD 3.81Å; I245-K249 HydrophobicContact CG2-CG 4.31Å; I245-K249 WeakPolarHBondContact O-CB 3.37Å; I245-K249 WeakPolarHBondContact O-CG 3.41Å; I245-K249 PolarHBondContact O-N 3.28Å
246I97.4Very high94.7Very high28 Ų2877.4 Ų77.414%0.14437%0.371CS..Hα-helixtrans-56.6-50.5175.6-70.6167.1000110.7I205 L208 R242 E244 Y248 K249 E250I205-I246 HydrophobicContact CG2-CG2 4.12Å; L208-I246 HydrophobicContact CB-CD1 3.79Å; L208-I246 HydrophobicContact CB-CG1 3.7Å; L208-I246 HydrophobicContact CD1-CG1 3.98Å; L208-I246 HydrophobicContact CG-CG1 4.49Å; R242-I246 VanDerWaalsContact O-CG1 3.31Å; R242-I246 WeakPolarHBondContact O-CG1 3.46Å; R242-I246 PolarHBondContact O-N 3.03Å; E244-I246 VanDerWaalsContact C-N 3.31Å; E244-I246 PolarHBondContact O-N 3.41Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 3.31Å; I246-K249 PolarHBondContact O-N 2.95Å; I246-K249 VanDerWaalsContact O-N 3.16Å; I246-E250 HydrophobicContact CG2-CG 4.25Å; I246-E250 WeakPolarHBondContact O-CG 3.26Å; I246-E250 PolarHBondContact O-N 2.73Å
247R97.6Very high94.7Very high169 Ų16980.5 Ų80.564%0.63839%0.39SS*.Hα-helixtrans-58.9-42.3-180-70.5172.4-176.4170.9-0.3112.3K243 E244 I245 S251K243-R247 WeakPolarHBondContact O-CG 3.38Å; K243-R247 PolarHBondContact O-N 3.28Å; E244-R247 PolarHBondContact O-N 3.29Å; E244-R247 VanDerWaalsContact O-N 3.14Å; I245-R247 PolarHBondContact O-N 3.44Å; R247-S251 VanDerWaalsContact O-CB 3.31Å; R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 2.78Å
248Y97.6Very high95Very high103 Ų10377.7 Ų77.740%0.40437%0.371SS..Hα-helixtrans-65-44.2175.8-88.2-79.4000112.2W236 L240 E244 I245 I246 S251 S252W236-Y248 HydrophobicContact CB-CD1 4.48Å; W236-Y248 HydrophobicContact CB-CD2 4.46Å; W236-Y248 HydrophobicContact CB-CG 4Å; L240-Y248 HydrophobicContact CD1-CD2 3.55Å; L240-Y248 HydrophobicContact CD1-CE2 3.55Å; E244-Y248 WeakPolarHBondContact O-CD2 3.31Å; E244-Y248 PolarHBondContact O-N 3.1Å; I245-Y248 PolarHBondContact O-N 2.88Å; I246-Y248 VanDerWaalsContact C-N 3.33Å; I246-Y248 PolarHBondContact O-N 3.31Å; Y248-S251 PolarHBondContact O-N 2.87Å; Y248-S252 VanDerWaalsContact O-CB 3.31Å; Y248-S252 WeakPolarHBondContact O-CB 3.46Å; Y248-S252 PolarHBondContact O-N 2.86Å; Y248-S252 PolarHBondContact O-OG 3.14Å
249K97.7Very high95.4Very high0 Ų075.9 Ų75.90%037%0.367CS..Hα-helixtrans-61.5-45.8178-75.3177.1175.8169.40111.2P200 H201 A203 I205 L208 Y224 W236 I245 I246 S252 F253P200-K249 PolarHBondContact O-NZ 2.74Å; H201-K249 PolarHBondContact O-NZ 2.75Å; A203-K249 PolarHBondContact O-NZ 3.47Å; I205-K249 HydrophobicContact CD1-CB 3.81Å; I205-K249 HydrophobicContact CG1-CB 3.74Å; I205-K249 HydrophobicContact CG1-CD 4.23Å; L208-K249 HydrophobicContact CD1-CD 4.11Å; Y224-K249 HydrophobicContact CE2-CD 4Å; W236-K249 HydrophobicContact CD2-CG 3.89Å; W236-K249 HydrophobicContact CE3-CG 3.65Å; W236-K249 HydrophobicContact CH2-CD 4.41Å; W236-K249 HydrophobicContact CH2-CG 3.83Å; W236-K249 HydrophobicContact CZ2-CD 4.25Å; W236-K249 HydrophobicContact CZ2-CG 4.04Å; W236-K249 HydrophobicContact CZ3-CB 4.45Å; W236-K249 HydrophobicContact CZ3-CG 3.63Å; I245-K249 HydrophobicContact CG2-CD 3.81Å; I245-K249 HydrophobicContact CG2-CG 4.31Å; I245-K249 WeakPolarHBondContact O-CB 3.37Å; I245-K249 WeakPolarHBondContact O-CG 3.41Å; I245-K249 PolarHBondContact O-N 3.28Å; I246-K249 PolarHBondContact O-N 2.95Å; I246-K249 VanDerWaalsContact O-N 3.16Å; K249-S252 PolarHBondContact O-N 3.47Å; K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.26Å; K249-F253 PolarHBondContact O-N 3.24Å
250E97.1Very high95.8Very high80 Ų8070.8 Ų70.837%0.37434%0.34SS..Hα-helixtrans-61.8-44.4175.1-71.4176.4165.200112.4I205 I246 F253 R254I205-E250 HydrophobicContact CD1-CG 3.87Å; I246-E250 HydrophobicContact CG2-CG 4.25Å; I246-E250 WeakPolarHBondContact O-CG 3.26Å; I246-E250 PolarHBondContact O-N 2.73Å; E250-F253 PolarHBondContact O-N 2.66Å; E250-R254 WeakPolarHBondContact O-CG 3.41Å; E250-R254 PolarHBondContact O-N 3.04Å
251S97.5Very high95.8Very high38 Ų3875.2 Ų75.227%0.26637%0.372SS..Hα-helixtrans-63.1-47.8177.5-168.90000111.5R247 Y248 F253 R254 Q255R247-S251 VanDerWaalsContact O-CB 3.31Å; R247-S251 WeakPolarHBondContact O-CB 3.36Å; R247-S251 PolarHBondContact O-N 2.78Å; Y248-S251 PolarHBondContact O-N 2.87Å; S251-F253 VanDerWaalsContact C-N 3.3Å; S251-F253 PolarHBondContact O-N 3.37Å; S251-R254 PolarHBondContact O-N 3.46Å; S251-Q255 WeakPolarHBondContact O-CB 3.37Å; S251-Q255 VanDerWaalsContact O-CG 3.3Å; S251-Q255 WeakPolarHBondContact O-CG 3.41Å; S251-Q255 PolarHBondContact O-N 3.19Å; S251-Q255 PolarHBondContact OG-NE2 3.43Å
252S96.8Very high95.6Very high6 Ų676.3 Ų76.34%0.04239%0.392CS..Hα-helixtrans-65.2-35.7-180-53.30000111.7Y248 K249 G256 T257 I258Y248-S252 VanDerWaalsContact O-CB 3.31Å; Y248-S252 WeakPolarHBondContact O-CB 3.46Å; Y248-S252 PolarHBondContact O-N 2.86Å; Y248-S252 PolarHBondContact O-OG 3.14Å; K249-S252 PolarHBondContact O-N 3.47Å; S252-G256 PolarHBondContact O-N 3.39Å; S252-T257 WeakPolarHBondContact CA-OG1 3.3Å; S252-T257 PolarHBondContact O-N 2.95Å; S252-T257 PolarHBondContact O-OG1 2.89Å; S252-I258 VanDerWaalsContact CB-CG1 3.49Å
253F95.2Very high95.7Very high118 Ų11871.6 Ų71.652%0.51838%0.376SS..Hα-helixtrans-63.3-50.6173.1-179.8-111.2000111.4K249 E250 S251 Q255 G256 I258 L274K249-F253 VanDerWaalsContact O-CB 3.28Å; K249-F253 WeakPolarHBondContact O-CB 3.26Å; K249-F253 PolarHBondContact O-N 3.24Å; E250-F253 PolarHBondContact O-N 2.66Å; S251-F253 VanDerWaalsContact C-N 3.3Å; S251-F253 PolarHBondContact O-N 3.37Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.92Å; F253-G256 PolarHBondContact O-N 2.88Å; F253-G256 VanDerWaalsContact O-N 3.12Å; F253-I258 HydrophobicContact CB-CD1 3.97Å; F253-I258 HydrophobicContact CD2-CD1 4.44Å; F253-L274 HydrophobicContact CD2-CD1 3.63Å; F253-L274 HydrophobicContact CE2-CB 4.08Å; F253-L274 HydrophobicContact CE2-CD1 3.76Å
254R95.1Very high95.7Very high192 Ų19265.9 Ų65.973%0.72536%0.362SS*.Hα-helixtrans-60.9-36.2178.4-74.8-171.6-65-139.7-2.1113E250 S251 G256E250-R254 WeakPolarHBondContact O-CG 3.41Å; E250-R254 PolarHBondContact O-N 3.04Å; S251-R254 PolarHBondContact O-N 3.46Å; R254-G256 VanDerWaalsContact C-N 3.35Å
255Q94.9Very high95.7Very high132 Ų13262.9 Ų62.962%0.61735%0.347SS*.Hα-helixtrans-84-9.8179.3-65175.51.900113.2S251 F253 T257S251-Q255 WeakPolarHBondContact O-CB 3.37Å; S251-Q255 VanDerWaalsContact O-CG 3.3Å; S251-Q255 WeakPolarHBondContact O-CG 3.41Å; S251-Q255 PolarHBondContact O-N 3.19Å; S251-Q255 PolarHBondContact OG-NE2 3.43Å; F253-Q255 VanDerWaalsContact C-N 3.29Å; F253-Q255 PolarHBondContact O-N 2.92Å; Q255-T257 VanDerWaalsContact C-N 3.3Å; Q255-T257 HydrophobicContact CB-CG2 3.88Å; Q255-T257 PolarHBondContact O-N 3.25Å
256G93.8Very high95.8Very high54 Ų5462.5 Ų62.556%0.55735%0.346SS*.THydrogen-bonded Turntrans68.525.9-176.200000114.2S252 F253 R254S252-G256 PolarHBondContact O-N 3.39Å; F253-G256 PolarHBondContact O-N 2.88Å; F253-G256 VanDerWaalsContact O-N 3.12Å; R254-G256 VanDerWaalsContact C-N 3.35Å
257T95.4Very high95.8Very high66 Ų6666.9 Ų66.941%0.40536%0.363SS..  trans-103.95.5-171.754.70000114.2P235 S252 Q255P235-T257 WeakPolarHBondContact CG-O 3.48Å; S252-T257 WeakPolarHBondContact CA-OG1 3.3Å; S252-T257 PolarHBondContact O-N 2.95Å; S252-T257 PolarHBondContact O-OG1 2.89Å; Q255-T257 VanDerWaalsContact C-N 3.3Å; Q255-T257 HydrophobicContact CB-CG2 3.88Å; Q255-T257 PolarHBondContact O-N 3.25Å
258I97.1Very high95.8Very high9 Ų963.2 Ų63.25%0.04635%0.354CS..SBendtrans-67-46.2176.1-55.1175.7000111.2F223 Y224 C227 W236 S252 F253 L274F223-I258 HydrophobicContact CD1-CG2 4.42Å; F223-I258 HydrophobicContact CE1-CB 4.11Å; F223-I258 HydrophobicContact CE1-CD1 4.49Å; F223-I258 HydrophobicContact CE1-CG2 3.43Å; F223-I258 VanDerWaalsContact CE1-CG2 3.43Å; F223-I258 HydrophobicContact CZ-CB 4.06Å; F223-I258 HydrophobicContact CZ-CG2 3.61Å; Y224-I258 HydrophobicContact CD1-CG2 3.87Å; Y224-I258 HydrophobicContact CE1-CD1 4.26Å; Y224-I258 HydrophobicContact CE1-CG2 3.88Å; C227-I258 PolarHBondContact SG-O 2.85Å; C227-I258 VanDerWaalsContact SG-O 3.36Å; W236-I258 HydrophobicContact CH2-CG2 4.07Å; W236-I258 HydrophobicContact CZ3-CG1 4.36Å; W236-I258 HydrophobicContact CZ3-CG2 4.3Å; S252-I258 VanDerWaalsContact CB-CG1 3.49Å; F253-I258 HydrophobicContact CB-CD1 3.97Å; F253-I258 HydrophobicContact CD2-CD1 4.44Å; I258-L274 HydrophobicContact CD1-CD1 4.24Å
259A97.4Very high95.8Very high17 Ų1758.3 Ų58.314%0.1433%0.334CS..SBendtrans-76.5132.9174.900000109.2L266 K267A259-L266 HydrophobicContact CB-CB 4Å; A259-K267 HydrophobicContact CB-CB 4.2Å
260P95.1Very high95.8Very high19 Ų1958.5 Ų58.512%0.12334%0.336CS..PPolyproline II helixtrans-64.3151.9-179.622.3-29.2000111.8V230 G262 A263 L266V230-P260 HydrophobicContact CB-CG 4.19Å; V230-P260 HydrophobicContact CG1-CG 3.83Å; P260-G262 PolarHBondContact O-N 3.38Å; P260-A263 HydrophobicContact CG-CB 3.77Å; P260-A263 WeakPolarHBondContact O-CB 3.42Å; P260-A263 PolarHBondContact O-N 2.92Å; P260-L266 HydrophobicContact CG-CD1 4.26Å
261P91.7Very high95.8Very high135 Ų13559.1 Ų59.188%0.87734%0.339SS*.THydrogen-bonded Turntrans-51.5137175.2-26.434.8000111.9A263P261-A263 PolarHBondContact O-N 2.95Å
262G89.1Confident95.8Very high83 Ų8358 Ų5886%0.85633%0.329SS*.THydrogen-bonded Turntrans80.4-11.2-177.800000115.4P260 G264P260-G262 PolarHBondContact O-N 3.38Å; G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.38Å
263A94.8Very high95.9Very high7 Ų757.7 Ų57.76%0.05833%0.327CS..  trans-91.159.3177.500000112.6V230 P260 P261 W265 L266 K267V230-A263 HydrophobicContact CG1-CB 4.43Å; P260-A263 HydrophobicContact CG-CB 3.77Å; P260-A263 WeakPolarHBondContact O-CB 3.42Å; P260-A263 PolarHBondContact O-N 2.92Å; P261-A263 PolarHBondContact O-N 2.95Å; A263-W265 PolarHBondContact O-N 2.87Å; A263-W265 VanDerWaalsContact O-N 3.15Å; A263-L266 HydrophobicContact CB-CB 4.11Å; A263-L266 HydrophobicContact CB-CD1 3.95Å; A263-L266 HydrophobicContact CB-CG 4.29Å; A263-L266 WeakPolarHBondContact O-CB 3.29Å; A263-L266 PolarHBondContact O-N 3.09Å; A263-K267 PolarHBondContact O-N 2.93Å; A263-K267 VanDerWaalsContact O-N 3.17Å
264G95.5Very high96Very high39 Ų3954.2 Ų54.240%0.40231%0.314SS..Hα-helixtrans-56-33-178.500000114.1G262 L266 K267 H268G262-G264 VanDerWaalsContact C-N 3.34Å; G262-G264 PolarHBondContact O-N 3.38Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.46Å; G264-K267 WeakPolarHBondContact O-CB 3.24Å; G264-K267 PolarHBondContact O-N 3.18Å; G264-H268 PolarHBondContact O-CD2 3.14Å; G264-H268 VanDerWaalsContact O-CD2 3.28Å; G264-H268 PolarHBondContact O-N 2.88Å; G264-H268 VanDerWaalsContact O-N 3.14Å
265W97.4Very high96.1Very high18 Ų1849.1 Ų49.17%0.06831%0.308CS..Hα-helixtrans-62.9-36.7174.673.2-82000112.8A130 L226 V230 A263 F269 K294A130-W265 HydrophobicContact CB-CH2 4.09Å; A130-W265 HydrophobicContact CB-CZ2 4.21Å; A130-W265 HydrophobicContact CB-CZ3 4.4Å; L226-W265 HydrophobicContact CB-CH2 4.44Å; L226-W265 HydrophobicContact CD1-CH2 4.22Å; L226-W265 HydrophobicContact CD1-CZ3 4.26Å; V230-W265 HydrophobicContact CG2-CZ2 4.22Å; A263-W265 PolarHBondContact O-N 2.87Å; A263-W265 VanDerWaalsContact O-N 3.15Å; W265-F269 WeakPolarHBondContact O-CB 3.36Å; W265-F269 PolarHBondContact O-N 3.03Å; W265-K294 HydrophobicContact CB-CB 4.26Å; W265-K294 HydrophobicContact CD2-CB 4.11Å; W265-K294 HydrophobicContact CD2-CG 4.08Å; W265-K294 HydrophobicContact CG-CB 3.91Å; W265-K294 HydrophobicContact CG-CD 4.26Å; W265-K294 HydrophobicContact CG-CG 3.91Å
266L98.2Very high96.3Very high0 Ų043.5 Ų43.50%028%0.282CS..Hα-helixtrans-72.3-35.4174.6-76.6176.7000111.8F223 L226 V230 A259 P260 A263 G264 H268 F269 G270F223-L266 HydrophobicContact CD2-CD2 4.32Å; F223-L266 HydrophobicContact CE2-CB 4.22Å; F223-L266 WeakPolarHBondContact CE2-O 3.48Å; L226-L266 HydrophobicContact CB-CD2 3.66Å; L226-L266 HydrophobicContact CD1-CD2 4.24Å; V230-L266 HydrophobicContact CB-CD1 4.31Å; V230-L266 HydrophobicContact CG2-CD1 4.1Å; A259-L266 HydrophobicContact CB-CB 4Å; P260-L266 HydrophobicContact CG-CD1 4.26Å; A263-L266 HydrophobicContact CB-CB 4.11Å; A263-L266 HydrophobicContact CB-CD1 3.95Å; A263-L266 HydrophobicContact CB-CG 4.29Å; A263-L266 WeakPolarHBondContact O-CB 3.29Å; A263-L266 PolarHBondContact O-N 3.09Å; G264-L266 VanDerWaalsContact C-N 3.33Å; G264-L266 PolarHBondContact O-N 3.46Å; L266-H268 VanDerWaalsContact C-N 3.34Å; L266-H268 PolarHBondContact O-N 3.49Å; L266-F269 WeakPolarHBondContact O-CB 3.38Å; L266-F269 PolarHBondContact O-N 3.35Å; L266-G270 PolarHBondContact O-N 2.97Å
267K97.2Very high96.4Very high119 Ų11943.2 Ų43.252%0.51727%0.271SS..Hα-helixtrans-56.7-50.1172.4-175.7-178.6176-178.60110.8A259 A263 G264 F269 G270 E271A259-K267 HydrophobicContact CB-CB 4.2Å; A263-K267 PolarHBondContact O-N 2.93Å; A263-K267 VanDerWaalsContact O-N 3.17Å; G264-K267 WeakPolarHBondContact O-CB 3.24Å; G264-K267 PolarHBondContact O-N 3.18Å; K267-F269 VanDerWaalsContact C-N 3.33Å; K267-F269 PolarHBondContact O-N 2.65Å; K267-G270 PolarHBondContact O-N 2.65Å; K267-E271 VanDerWaalsContact CE-OE1 3.26Å; K267-E271 WeakPolarHBondContact CE-OE1 3.5Å; K267-E271 VanDerWaalsContact O-CG 3.3Å; K267-E271 WeakPolarHBondContact O-CG 3.31Å; K267-E271 PolarHBondContact O-N 2.74Å
268H97.3Very high96.4Very high93 Ų9341.2 Ų41.243%0.43126%0.257SS..Hα-helixtrans-67.9-30.3177.2-66.9-46000114.1G264 L266 E271 H272 L290G264-H268 PolarHBondContact O-CD2 3.14Å; G264-H268 VanDerWaalsContact O-CD2 3.28Å; G264-H268 PolarHBondContact O-N 2.88Å; G264-H268 VanDerWaalsContact O-N 3.14Å; L266-H268 VanDerWaalsContact C-N 3.34Å; L266-H268 PolarHBondContact O-N 3.49Å; H268-E271 IonicContact CE1-OE2 2.63Å; H268-E271 IonicContact CG-OE2 3.44Å; H268-E271 IonicContact ND1-OE2 3.92Å; H268-E271 PolarHBondContact ND1-OE2 2.78Å; H268-H272 PolarHBondContact O-N 3.24Å; H268-L290 HydrophobicContact CB-CD1 4.02Å; H268-L290 HydrophobicContact CB-CD2 3.93Å
269F98.3Very high96.4Very high0 Ų045.6 Ų45.60%028%0.284CS..Hα-helixtrans-63.5-52.1171.9-165.9-69.2000109.9V137 L222 F223 L226 W265 L266 K267 H272 V273 L287 L290V137-F269 HydrophobicContact CG2-CE2 4.04Å; V137-F269 HydrophobicContact CG2-CZ 4.06Å; L222-F269 HydrophobicContact CD2-CZ 4.06Å; L222-F269 HydrophobicContact CG-CZ 4.25Å; F223-F269 HydrophobicContact CB-CD1 3.82Å; F223-F269 HydrophobicContact CB-CE1 3.87Å; F223-F269 HydrophobicContact CD2-CD1 4.04Å; F223-F269 HydrophobicContact CG-CD1 4.26Å; L226-F269 HydrophobicContact CD1-CE2 4.31Å; L226-F269 HydrophobicContact CD1-CZ 4.38Å; W265-F269 WeakPolarHBondContact O-CB 3.36Å; W265-F269 PolarHBondContact O-N 3.03Å; L266-F269 WeakPolarHBondContact O-CB 3.38Å; L266-F269 PolarHBondContact O-N 3.35Å; K267-F269 VanDerWaalsContact C-N 3.33Å; K267-F269 PolarHBondContact O-N 2.65Å; F269-H272 WeakPolarHBondContact O-CB 3.42Å; F269-H272 PolarHBondContact O-N 3.09Å; F269-V273 HydrophobicContact CD1-CG1 3.97Å; F269-V273 HydrophobicContact CD1-CG2 4.22Å; F269-V273 HydrophobicContact CE1-CG1 3.72Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 PolarHBondContact O-N 2.98Å; F269-L287 HydrophobicContact CD1-CD2 4.07Å; F269-L287 HydrophobicContact CD2-CB 4.3Å; F269-L287 HydrophobicContact CD2-CD2 3.78Å; F269-L287 HydrophobicContact CE1-CD2 4.12Å; F269-L287 HydrophobicContact CE2-CB 3.8Å; F269-L287 HydrophobicContact CE2-CD1 4.46Å; F269-L287 HydrophobicContact CE2-CD2 3.85Å; F269-L287 HydrophobicContact CE2-CG 4.24Å; F269-L287 HydrophobicContact CG-CD2 3.9Å; F269-L287 HydrophobicContact CZ-CB 4.27Å; F269-L287 HydrophobicContact CZ-CD1 4.11Å; F269-L287 HydrophobicContact CZ-CD2 4.01Å; F269-L287 HydrophobicContact CZ-CG 4.36Å; F269-L290 HydrophobicContact CB-CD1 4.22Å
270G97.9Very high96.4Very high3 Ų347.9 Ų47.93%0.03129%0.294CS..Hα-helixtrans-58.2-49.217800000113.1L266 K267 H272 V273 L274L266-G270 PolarHBondContact O-N 2.97Å; K267-G270 PolarHBondContact O-N 2.65Å; G270-H272 PolarHBondContact O-N 2.96Å; G270-V273 PolarHBondContact O-N 2.82Å; G270-L274 VanDerWaalsContact O-CB 3.23Å; G270-L274 WeakPolarHBondContact O-CB 3.35Å; G270-L274 VanDerWaalsContact O-CG 3.27Å; G270-L274 WeakPolarHBondContact O-CG 3.35Å; G270-L274 PolarHBondContact O-N 2.75Å
271E96.8Very high96.4Very high94 Ų9452 Ų5244%0.43931%0.311SS..Hα-helixtrans-52.9-39.6175.5-75.6166.5176.200112.1K267 H268 S275K267-E271 VanDerWaalsContact CE-OE1 3.26Å; K267-E271 WeakPolarHBondContact CE-OE1 3.5Å; K267-E271 VanDerWaalsContact O-CG 3.3Å; K267-E271 WeakPolarHBondContact O-CG 3.31Å; K267-E271 PolarHBondContact O-N 2.74Å; H268-E271 IonicContact CE1-OE2 2.63Å; H268-E271 IonicContact CG-OE2 3.44Å; H268-E271 IonicContact ND1-OE2 3.92Å; H268-E271 PolarHBondContact ND1-OE2 2.78Å; E271-S275 WeakPolarHBondContact O-CB 3.19Å; E271-S275 PolarHBondContact O-OG 3.37Å
272H97.8Very high96.7Very high13 Ų1345.8 Ų45.86%0.0627%0.271CS..Hα-helixtrans-70.8-52.9177.2-175.674.6000111.9H268 F269 G270 S275 L276 R283 K286 L287H268-H272 PolarHBondContact O-N 3.24Å; F269-H272 WeakPolarHBondContact O-CB 3.42Å; F269-H272 PolarHBondContact O-N 3.09Å; G270-H272 PolarHBondContact O-N 2.96Å; H272-S275 PolarHBondContact O-OG 3.33Å; H272-L276 WeakPolarHBondContact O-CG 3.09Å; H272-R283 PolarHBondContact NE2-N 2.83Å; H272-K286 PolarHBondContact ND1-NZ 3.18Å; H272-L287 HydrophobicContact CB-CD2 4.19Å
273V98.2Very high97.1Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-75.1-32.8-171.1-58.90000113.1L219 V220 F223 F269 G270 S275 L276 L287L219-V273 HydrophobicContact CB-CB 4.25Å; L219-V273 HydrophobicContact CB-CG1 3.78Å; V220-V273 HydrophobicContact CG2-CB 4.19Å; V220-V273 HydrophobicContact CG2-CG2 4.02Å; F223-V273 HydrophobicContact CB-CG2 3.96Å; F223-V273 HydrophobicContact CD1-CG2 4.43Å; F223-V273 HydrophobicContact CG-CG2 4.29Å; F269-V273 HydrophobicContact CD1-CG1 3.97Å; F269-V273 HydrophobicContact CD1-CG2 4.22Å; F269-V273 HydrophobicContact CE1-CG1 3.72Å; F269-V273 HydrophobicContact CE1-CG2 4.38Å; F269-V273 PolarHBondContact O-N 2.98Å; G270-V273 PolarHBondContact O-N 2.82Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.01Å; V273-L276 PolarHBondContact O-N 3.04Å; V273-L287 HydrophobicContact CG1-CD1 3.94Å; V273-L287 HydrophobicContact CG1-CD2 3.94Å
274L97.6Very high97.3Very high45 Ų4550.5 Ų50.524%0.23626%0.261CS..Hα-helixtrans-76-15.6179.5-64.1170.5000113V220 F223 F253 I258 G270V220-L274 HydrophobicContact CG1-CD2 3.95Å; V220-L274 HydrophobicContact CG2-CD2 3.9Å; F223-L274 HydrophobicContact CD1-CD1 4.45Å; F223-L274 HydrophobicContact CE1-CD1 3.98Å; F253-L274 HydrophobicContact CD2-CD1 3.63Å; F253-L274 HydrophobicContact CE2-CB 4.08Å; F253-L274 HydrophobicContact CE2-CD1 3.76Å; I258-L274 HydrophobicContact CD1-CD1 4.24Å; G270-L274 VanDerWaalsContact O-CB 3.23Å; G270-L274 WeakPolarHBondContact O-CB 3.35Å; G270-L274 VanDerWaalsContact O-CG 3.27Å; G270-L274 WeakPolarHBondContact O-CG 3.35Å; G270-L274 PolarHBondContact O-N 2.75Å
275S97Very high97.4Very high86 Ų8649.9 Ų49.960%0.60126%0.256SS*.THydrogen-bonded Turntrans-88.7-10.9175.556.80000114E271 H272 V273E271-S275 WeakPolarHBondContact O-CB 3.19Å; E271-S275 PolarHBondContact O-OG 3.37Å; H272-S275 PolarHBondContact O-OG 3.33Å; V273-S275 VanDerWaalsContact C-N 3.28Å; V273-S275 PolarHBondContact O-N 3.01Å
276L97.7Very high97.5Very high14 Ų1452.5 Ų52.57%0.07327%0.267CS..  trans-76.7138.4-179.9-59.4174.1000111R206 A216 H272 V273 D280 P282R206-L276 PolarHBondContact NH1-O 3.2Å; R206-L276 PolarHBondContact NH2-O 3.22Å; A216-L276 HydrophobicContact CB-CB 3.61Å; A216-L276 HydrophobicContact CB-CD1 3.94Å; A216-L276 HydrophobicContact CB-CG 4.42Å; H272-L276 WeakPolarHBondContact O-CG 3.09Å; V273-L276 PolarHBondContact O-N 3.04Å; L276-D280 HydrophobicContact CB-CB 4.2Å; L276-D280 HydrophobicContact CD2-CB 3.86Å; L276-P282 HydrophobicContact CD1-CB 3.82Å; L276-P282 HydrophobicContact CD1-CG 3.97Å
277S96.7Very high97.5Very high48 Ų4852.5 Ų52.534%0.33627%0.267SS..  trans-91.5178.9168.972.10000112T279 D280S277-T279 VanDerWaalsContact C-N 3.26Å; S277-T279 PolarHBondContact O-N 3.49Å; S277-T279 PolarHBondContact OG-OG1 3.18Å; S277-D280 WeakPolarHBondContact CB-OD2 3.49Å; S277-D280 PolarHBondContact N-OD2 2.84Å; S277-D280 PolarHBondContact O-N 2.9Å; S277-D280 PolarHBondContact OG-OD2 2.8Å
278Y96.4Very high97.5Very high24 Ų2448.9 Ų48.99%0.09425%0.252CS..THydrogen-bonded Turntrans-56.9-38.5178.4-176.1-86.8000113.4L187 L188 P190 D212 Q213L187-Y278 HydrophobicContact CD2-CD1 3.98Å; L187-Y278 HydrophobicContact CD2-CE1 3.86Å; L187-Y278 HydrophobicContact CG-CE1 4.3Å; L188-Y278 WeakPolarHBondContact O-CE1 3.5Å; L188-Y278 PolarHBondContact O-OH 2.99Å; P190-Y278 HydrophobicContact CB-CD1 4Å; P190-Y278 HydrophobicContact CB-CD2 3.97Å; P190-Y278 HydrophobicContact CB-CE1 3.89Å; P190-Y278 HydrophobicContact CB-CE2 3.85Å; P190-Y278 HydrophobicContact CB-CG 4.04Å; P190-Y278 HydrophobicContact CG-CD1 4.14Å; P190-Y278 HydrophobicContact CG-CE1 4.26Å; P190-Y278 HydrophobicContact CG-CG 4.44Å; D212-Y278 HydrophobicContact CB-CE2 3.93Å; D212-Y278 VanDerWaalsContact O-CD2 3.28Å; D212-Y278 WeakPolarHBondContact O-CD2 3.43Å; D212-Y278 WeakPolarHBondContact O-CE2 3.29Å; Q213-Y278 WeakPolarHBondContact O-CE2 3.22Å
279T96.4Very high97.6Very high101 Ų10151.3 Ų51.362%0.6226%0.258SS*.THydrogen-bonded Turntrans-88.8-8.2-173.6500000113.7L187 S277L187-T279 HydrophobicContact CD2-CG2 4.14Å; S277-T279 VanDerWaalsContact C-N 3.26Å; S277-T279 PolarHBondContact O-N 3.49Å; S277-T279 PolarHBondContact OG-OG1 3.18Å
280D97Very high97.6Very high65 Ų6552.3 Ų52.335%0.34826%0.263SS..PPolyproline II helixtrans-77.8134.5-175.8-69.5-43.5000111.9L276 S277 P282L276-D280 HydrophobicContact CB-CB 4.2Å; L276-D280 HydrophobicContact CD2-CB 3.86Å; S277-D280 WeakPolarHBondContact CB-OD2 3.49Å; S277-D280 PolarHBondContact N-OD2 2.84Å; S277-D280 PolarHBondContact O-N 2.9Å; S277-D280 PolarHBondContact OG-OD2 2.8Å; D280-P282 WeakPolarHBondContact O-CD 3.38Å
281E96.3Very high97.6Very high104 Ų10452.1 Ų52.149%0.48626%0.261SS..PPolyproline II helixtrans-79.3119169.7-168.165-143.900109.7R181 R283R181-E281 IonicContact CZ-OE2 3.78Å; R181-E281 IonicContact NH2-OE1 3.77Å; R181-E281 IonicContact NH2-OE2 2.83Å; R181-E281 PolarHBondContact NH2-OE2 2.81Å; E281-R283 PolarHBondContact O-N 3.23Å
282P97.5Very high97.7Very high5 Ų550.7 Ų50.73%0.03226%0.256CS..PPolyproline II helixtrans-64.7139.4-179.8-21.833.9000112.3M215 L219 L276 D280 Y284M215-P282 HydrophobicContact CB-CG 3.97Å; L219-P282 HydrophobicContact CD1-CB 3.31Å; L219-P282 HydrophobicContact CD1-CG 3.64Å; L276-P282 HydrophobicContact CD1-CB 3.82Å; L276-P282 HydrophobicContact CD1-CG 3.97Å; D280-P282 WeakPolarHBondContact O-CD 3.38Å; P282-Y284 HydrophobicContact CB-CD1 4.49Å; P282-Y284 HydrophobicContact CB-CD2 4.48Å; P282-Y284 HydrophobicContact CB-CE1 4.02Å; P282-Y284 HydrophobicContact CB-CE2 4.03Å; P282-Y284 WeakPolarHBondContact CD-OH 3.47Å; P282-Y284 HydrophobicContact CG-CE1 4.34Å; P282-Y284 HydrophobicContact CG-CE2 4.31Å; P282-Y284 WeakPolarHBondContact CG-OH 3.4Å; P282-Y284 WeakPolarHBondContact O-CD2 3.45Å; P282-Y284 WeakPolarHBondContact O-CE2 3.36Å; P282-Y284 PolarHBondContact O-N 3.02Å
283R97.9Very high97.7Very high176 Ų17657.2 Ų57.266%0.66428%0.28SS*.  trans-78.469173.9-61.2-177.1-179.2-179.41.5110.9H272 E281 G285 K286 L287H272-R283 PolarHBondContact NE2-N 2.83Å; E281-R283 PolarHBondContact O-N 3.23Å; R283-G285 PolarHBondContact O-N 3.43Å; R283-G285 VanDerWaalsContact O-N 3.12Å; R283-K286 HydrophobicContact CB-CB 3.95Å; R283-K286 WeakPolarHBondContact O-CA 3.46Å; R283-K286 VanDerWaalsContact O-CB 3.29Å; R283-K286 WeakPolarHBondContact O-CB 3.22Å; R283-K286 PolarHBondContact O-N 3.32Å; R283-L287 PolarHBondContact O-N 2.91Å
284Y98.2Very high97.7Very high13 Ų1358.1 Ų58.15%0.05128%0.284CS..Hα-helixtrans-49.7-41.7-177.3-59.5-79.4000113.3V137 K141 H144 L219 P282 K286 L287 Q288V137-Y284 HydrophobicContact CG1-CD1 4.08Å; K141-Y284 HydrophobicContact CB-CD1 3.68Å; K141-Y284 HydrophobicContact CB-CD2 4.25Å; K141-Y284 HydrophobicContact CB-CE1 4.09Å; K141-Y284 HydrophobicContact CB-CG 3.81Å; K141-Y284 HydrophobicContact CD-CD2 4.18Å; K141-Y284 HydrophobicContact CD-CG 4.01Å; K141-Y284 HydrophobicContact CG-CD1 4.13Å; K141-Y284 HydrophobicContact CG-CD2 3.77Å; K141-Y284 HydrophobicContact CG-CE2 4.21Å; K141-Y284 HydrophobicContact CG-CG 3.74Å; H144-Y284 AromaticContact ND1-CE1 3.69Å; H144-Y284 AromaticContact ND1-CZ 3.54Å; H144-Y284 PolarHBondContact ND1-OH 2.89Å; L219-Y284 HydrophobicContact CD1-CD1 4.41Å; L219-Y284 HydrophobicContact CD1-CE1 3.9Å; L219-Y284 HydrophobicContact CD2-CE1 4.35Å; P282-Y284 HydrophobicContact CB-CD1 4.49Å; P282-Y284 HydrophobicContact CB-CD2 4.48Å; P282-Y284 HydrophobicContact CB-CE1 4.02Å; P282-Y284 HydrophobicContact CB-CE2 4.03Å; P282-Y284 WeakPolarHBondContact CD-OH 3.47Å; P282-Y284 HydrophobicContact CG-CE1 4.34Å; P282-Y284 HydrophobicContact CG-CE2 4.31Å; P282-Y284 WeakPolarHBondContact CG-OH 3.4Å; P282-Y284 WeakPolarHBondContact O-CD2 3.45Å; P282-Y284 WeakPolarHBondContact O-CE2 3.36Å; P282-Y284 PolarHBondContact O-N 3.02Å; Y284-K286 VanDerWaalsContact C-N 3.29Å; Y284-K286 PolarHBondContact O-N 2.61Å; Y284-L287 WeakPolarHBondContact O-CB 3.23Å; Y284-L287 PolarHBondContact O-N 3.26Å; Y284-L287 VanDerWaalsContact O-N 3.14Å; Y284-Q288 PolarHBondContact O-N 3.38Å
285G98.2Very high97.7Very high27 Ų2756.5 Ų56.528%0.27828%0.275SS..Hα-helixtrans-63.3-30.817800000113.8R283 R289R283-G285 PolarHBondContact O-N 3.43Å; R283-G285 VanDerWaalsContact O-N 3.12Å; G285-R289 WeakPolarHBondContact O-CB 3.1Å; G285-R289 VanDerWaalsContact O-CG 3.29Å; G285-R289 WeakPolarHBondContact O-CG 3.47Å; G285-R289 PolarHBondContact O-N 3.07Å; G285-R289 VanDerWaalsContact O-N 3.08Å; G285-R289 PolarHBondContact O-NH1 3.39Å
286K97.9Very high97.7Very high73 Ų7358.3 Ų58.332%0.31727%0.274SS..Hα-helixtrans-66.5-46.1172.9-178.8-173.3170.9-171.10110.1H272 R283 Y284 R289 L290H272-K286 PolarHBondContact ND1-NZ 3.18Å; R283-K286 HydrophobicContact CB-CB 3.95Å; R283-K286 WeakPolarHBondContact O-CA 3.46Å; R283-K286 VanDerWaalsContact O-CB 3.29Å; R283-K286 WeakPolarHBondContact O-CB 3.22Å; R283-K286 PolarHBondContact O-N 3.32Å; Y284-K286 VanDerWaalsContact C-N 3.29Å; Y284-K286 PolarHBondContact O-N 2.61Å; K286-R289 PolarHBondContact O-N 3.31Å; K286-L290 WeakPolarHBondContact O-CG 3.47Å; K286-L290 PolarHBondContact O-N 2.93Å
287L98.6Very high97.7Very high0 Ų062.3 Ų62.30%029%0.292CS..Hα-helixtrans-62.8-46.5179.3-59.7176.6000111.5V137 L219 F269 H272 V273 R283 Y284 R289 L290 C291V137-L287 HydrophobicContact CG1-CB 4.09Å; V137-L287 HydrophobicContact CG2-CB 4.01Å; L219-L287 HydrophobicContact CD1-CD1 3.84Å; L219-L287 HydrophobicContact CD2-CD1 4Å; L219-L287 HydrophobicContact CG-CD1 4.43Å; F269-L287 HydrophobicContact CD1-CD2 4.07Å; F269-L287 HydrophobicContact CD2-CB 4.3Å; F269-L287 HydrophobicContact CD2-CD2 3.78Å; F269-L287 HydrophobicContact CE1-CD2 4.12Å; F269-L287 HydrophobicContact CE2-CB 3.8Å; F269-L287 HydrophobicContact CE2-CD1 4.46Å; F269-L287 HydrophobicContact CE2-CD2 3.85Å; F269-L287 HydrophobicContact CE2-CG 4.24Å; F269-L287 HydrophobicContact CG-CD2 3.9Å; F269-L287 HydrophobicContact CZ-CB 4.27Å; F269-L287 HydrophobicContact CZ-CD1 4.11Å; F269-L287 HydrophobicContact CZ-CD2 4.01Å; F269-L287 HydrophobicContact CZ-CG 4.36Å; H272-L287 HydrophobicContact CB-CD2 4.19Å; V273-L287 HydrophobicContact CG1-CD1 3.94Å; V273-L287 HydrophobicContact CG1-CD2 3.94Å; R283-L287 PolarHBondContact O-N 2.91Å; Y284-L287 WeakPolarHBondContact O-CB 3.23Å; Y284-L287 PolarHBondContact O-N 3.26Å; Y284-L287 VanDerWaalsContact O-N 3.14Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.99Å; L287-L290 PolarHBondContact O-N 3.08Å; L287-C291 PolarHBondContact O-N 3.44Å; L287-C291 PolarHBondContact O-SG 3.45Å
288Q98.2Very high97.7Very high43 Ų4360.4 Ų60.420%0.20128%0.278CS..Hα-helixtrans-60.2-40.5175-69.7-175.9-53.100112.3V137 Y284 L290 C291 I292V137-Q288 HydrophobicContact CB-CG 3.95Å; V137-Q288 HydrophobicContact CG1-CG 3.54Å; Y284-Q288 PolarHBondContact O-N 3.38Å; Q288-L290 PolarHBondContact O-N 3.11Å; Q288-C291 PolarHBondContact O-N 3.22Å; Q288-I292 WeakPolarHBondContact O-CB 3.47Å; Q288-I292 VanDerWaalsContact O-CG1 3.25Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 3.41Å
289R98.4Very high97.7Very high143 Ų14363.1 Ų63.154%0.5430%0.297SS..Hα-helixtrans-64.5-37176.7-78.7-171.8-59.9-94.15.8113G285 K286 L287 I292 R293G285-R289 WeakPolarHBondContact O-CB 3.1Å; G285-R289 VanDerWaalsContact O-CG 3.29Å; G285-R289 WeakPolarHBondContact O-CG 3.47Å; G285-R289 PolarHBondContact O-N 3.07Å; G285-R289 VanDerWaalsContact O-N 3.08Å; G285-R289 PolarHBondContact O-NH1 3.39Å; K286-R289 PolarHBondContact O-N 3.31Å; L287-R289 VanDerWaalsContact C-N 3.32Å; L287-R289 PolarHBondContact O-N 2.99Å; R289-I292 PolarHBondContact O-N 3.32Å; R289-R293 WeakPolarHBondContact O-CB 3.36Å; R289-R293 VanDerWaalsContact O-CG 3.32Å; R289-R293 WeakPolarHBondContact O-CG 3.27Å; R289-R293 PolarHBondContact O-N 3.06Å
290L98.3Very high97.8Very high21 Ų2162.6 Ų62.611%0.1130%0.303CS..Hα-helixtrans-60.8-47.2174.4-71.1170.9000110.7H268 F269 K286 L287 Q288 R293 K294H268-L290 HydrophobicContact CB-CD1 4.02Å; H268-L290 HydrophobicContact CB-CD2 3.93Å; F269-L290 HydrophobicContact CB-CD1 4.22Å; K286-L290 WeakPolarHBondContact O-CG 3.47Å; K286-L290 PolarHBondContact O-N 2.93Å; L287-L290 PolarHBondContact O-N 3.08Å; Q288-L290 PolarHBondContact O-N 3.11Å; L290-R293 PolarHBondContact O-N 2.97Å; L290-K294 PolarHBondContact O-N 3.1Å; L290-K294 VanDerWaalsContact O-N 3.17Å
291C98.4Very high97.7Very high0 Ų065.6 Ų65.60%031%0.313CS..Hα-helixtrans-61.8-47.6176.1-62.70000112.2A130 R134 L287 Q288 R293 K294 M295A130-C291 HydrophobicContact CB-CB 4.4Å; A130-C291 WeakPolarHBondContact O-CB 3.27Å; R134-C291 HydrophobicContact CB-CB 3.82Å; L287-C291 PolarHBondContact O-N 3.44Å; L287-C291 PolarHBondContact O-SG 3.45Å; Q288-C291 PolarHBondContact O-N 3.22Å; C291-R293 VanDerWaalsContact C-N 3.35Å; C291-R293 PolarHBondContact O-N 2.99Å; C291-K294 PolarHBondContact O-N 2.88Å; C291-M295 VanDerWaalsContact O-CG 3.3Å; C291-M295 WeakPolarHBondContact O-CG 3.31Å; C291-M295 PolarHBondContact O-N 3.34Å
292I98.3Very high97.7Very high64 Ų6464 Ų6433%0.32832%0.324SS..Hα-helixtrans-61-42.5-179.2-70.3163.8000111.4R134 Q288 R289 K294 M295 Q296R134-I292 HydrophobicContact CG-CD1 4.49Å; R134-I292 HydrophobicContact CG-CG1 4.13Å; Q288-I292 WeakPolarHBondContact O-CB 3.47Å; Q288-I292 VanDerWaalsContact O-CG1 3.25Å; Q288-I292 WeakPolarHBondContact O-CG1 3.35Å; Q288-I292 PolarHBondContact O-N 3.41Å; R289-I292 PolarHBondContact O-N 3.32Å; I292-K294 VanDerWaalsContact C-N 3.34Å; I292-K294 PolarHBondContact O-N 2.6Å; I292-M295 WeakPolarHBondContact O-CB 3.42Å; I292-M295 PolarHBondContact O-N 3.42Å; I292-Q296 HydrophobicContact CG2-CG 4.42Å; I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.62Å
293R98Very high97.5Very high150 Ų15068.7 Ų68.757%0.56634%0.344SS*.Hα-helixtrans-60.1-45.5176-76.1176-178.4180-2.4111.4R289 L290 C291 M295 Q296 E297R289-R293 WeakPolarHBondContact O-CB 3.36Å; R289-R293 VanDerWaalsContact O-CG 3.32Å; R289-R293 WeakPolarHBondContact O-CG 3.27Å; R289-R293 PolarHBondContact O-N 3.06Å; L290-R293 PolarHBondContact O-N 2.97Å; C291-R293 VanDerWaalsContact C-N 3.35Å; C291-R293 PolarHBondContact O-N 2.99Å; R293-M295 VanDerWaalsContact C-N 3.34Å; R293-M295 PolarHBondContact O-N 2.77Å; R293-Q296 WeakPolarHBondContact O-CB 3.5Å; R293-Q296 PolarHBondContact O-N 2.85Å; R293-E297 WeakPolarHBondContact O-CG 3.45Å; R293-E297 PolarHBondContact O-N 2.54Å
294K97.9Very high97.2Very high19 Ų1963.9 Ų63.98%0.08333%0.332CS..Hα-helixtrans-61.5-42.1176.5-178.555.8172.5172.60112.2A130 W265 L290 C291 I292 Q296 E297 E298A130-K294 HydrophobicContact CB-CB 3.86Å; A130-K294 HydrophobicContact CB-CG 3.82Å; W265-K294 HydrophobicContact CB-CB 4.26Å; W265-K294 HydrophobicContact CD2-CB 4.11Å; W265-K294 HydrophobicContact CD2-CG 4.08Å; W265-K294 HydrophobicContact CG-CB 3.91Å; W265-K294 HydrophobicContact CG-CD 4.26Å; W265-K294 HydrophobicContact CG-CG 3.91Å; L290-K294 PolarHBondContact O-N 3.1Å; L290-K294 VanDerWaalsContact O-N 3.17Å; C291-K294 PolarHBondContact O-N 2.88Å; I292-K294 VanDerWaalsContact C-N 3.34Å; I292-K294 PolarHBondContact O-N 2.6Å; K294-Q296 VanDerWaalsContact C-N 3.33Å; K294-Q296 PolarHBondContact O-N 2.88Å; K294-E297 IonicContact NZ-OE2 3.44Å; K294-E297 PolarHBondContact O-N 2.95Å; K294-E298 HydrophobicContact CD-CG 4.4Å; K294-E298 WeakPolarHBondContact CE-OE1 3.49Å; K294-E298 IonicContact NZ-OE1 3.08Å; K294-E298 PolarHBondContact NZ-OE1 2.94Å; K294-E298 PolarHBondContact O-N 3.47Å; K294-E298 VanDerWaalsContact O-N 3.13Å
295M98Very high97Very high11 Ų1163.5 Ų63.55%0.05433%0.331CS..Hα-helixtrans-58.8-45.4174.2-66.9171.568.400111.4A130 N131 R134 C291 I292 R293 E297 E298 V299 V305 L306A130-M295 HydrophobicContact CB-CG 3.82Å; N131-M295 VanDerWaalsContact CA-SD 3.57Å; N131-M295 HydrophobicContact CB-CE 3.65Å; N131-M295 HydrophobicContact CB-CG 4.39Å; N131-M295 HydrophobicContact CB-SD 3.92Å; R134-M295 HydrophobicContact CB-SD 4.48Å; C291-M295 VanDerWaalsContact O-CG 3.3Å; C291-M295 WeakPolarHBondContact O-CG 3.31Å; C291-M295 PolarHBondContact O-N 3.34Å; I292-M295 WeakPolarHBondContact O-CB 3.42Å; I292-M295 PolarHBondContact O-N 3.42Å; R293-M295 VanDerWaalsContact C-N 3.34Å; R293-M295 PolarHBondContact O-N 2.77Å; M295-E297 PolarHBondContact O-N 3.34Å; M295-E298 PolarHBondContact O-N 2.85Å; M295-V299 VanDerWaalsContact O-CG2 3.3Å; M295-V299 WeakPolarHBondContact O-CG2 3.14Å; M295-V299 PolarHBondContact O-N 3.28Å; M295-V305 HydrophobicContact CB-CG2 4.19Å; M295-V305 HydrophobicContact CE-CG2 3.87Å; M295-L306 HydrophobicContact CE-CD2 3.92Å
296Q97.8Very high96.7Very high123 Ų12366.9 Ų66.958%0.57534%0.342SS*.Hα-helixtrans-63.2-39.6178.5-71.5170.8-29.800112.4I292 R293 K294 V299 A300I292-Q296 HydrophobicContact CG2-CG 4.42Å; I292-Q296 WeakPolarHBondContact O-CG 3.42Å; I292-Q296 PolarHBondContact O-N 2.62Å; R293-Q296 WeakPolarHBondContact O-CB 3.5Å; R293-Q296 PolarHBondContact O-N 2.85Å; K294-Q296 VanDerWaalsContact C-N 3.33Å; K294-Q296 PolarHBondContact O-N 2.88Å; Q296-V299 PolarHBondContact O-N 3.45Å; Q296-A300 WeakPolarHBondContact O-CB 3.16Å; Q296-A300 PolarHBondContact O-N 3.18Å
297E97.3Very high96.3Very high98 Ų9865.5 Ų65.546%0.45834%0.34SS..Hα-helixtrans-60.7-42.4174.9-72166.1-162.800112.4R293 K294 M295 K301R293-E297 WeakPolarHBondContact O-CG 3.45Å; R293-E297 PolarHBondContact O-N 2.54Å; K294-E297 IonicContact NZ-OE2 3.44Å; K294-E297 PolarHBondContact O-N 2.95Å; M295-E297 PolarHBondContact O-N 3.34Å; E297-K301 WeakPolarHBondContact O-CG 3.28Å; E297-K301 PolarHBondContact O-N 3.47Å
298E96.7Very high95.7Very high9 Ų965.5 Ų65.54%0.04234%0.34CS..Hα-helixtrans-74.3-37.9179-64-47.2131.800112.2K294 M295 A300 K301 G302 F303 V305K294-E298 HydrophobicContact CD-CG 4.4Å; K294-E298 WeakPolarHBondContact CE-OE1 3.49Å; K294-E298 IonicContact NZ-OE1 3.08Å; K294-E298 PolarHBondContact NZ-OE1 2.94Å; K294-E298 PolarHBondContact O-N 3.47Å; K294-E298 VanDerWaalsContact O-N 3.13Å; M295-E298 PolarHBondContact O-N 2.85Å; E298-A300 VanDerWaalsContact C-N 3.3Å; E298-A300 PolarHBondContact O-N 2.95Å; E298-K301 WeakPolarHBondContact O-CB 3.43Å; E298-K301 PolarHBondContact O-N 2.97Å; E298-K301 IonicContact OE1-NZ 3.31Å; E298-K301 PolarHBondContact OE1-NZ 2.92Å; E298-K301 IonicContact OE2-NZ 2.98Å; E298-K301 PolarHBondContact OE2-NZ 3.1Å; E298-G302 PolarHBondContact O-N 2.76Å; E298-F303 HydrophobicContact CB-CB 4.2Å; E298-F303 HydrophobicContact CB-CD2 4.37Å; E298-F303 PolarHBondContact O-N 3.04Å; E298-F303 VanDerWaalsContact OE2-CD2 3.31Å; E298-F303 WeakPolarHBondContact OE2-CD2 3.31Å; E298-V305 HydrophobicContact CB-CG1 3.8Å
299V97.2Very high94.4Very high81 Ų8165.5 Ų65.549%0.49134%0.341SS..Hα-helixtrans-60.2-41171.6170.70000111.1M295 Q296 K301 G302 V305M295-V299 VanDerWaalsContact O-CG2 3.3Å; M295-V299 WeakPolarHBondContact O-CG2 3.14Å; M295-V299 PolarHBondContact O-N 3.28Å; Q296-V299 PolarHBondContact O-N 3.45Å; V299-K301 PolarHBondContact O-N 3.2Å; V299-G302 PolarHBondContact O-N 3.29Å; V299-V305 HydrophobicContact CG2-CB 4.35Å; V299-V305 HydrophobicContact CG2-CG1 3.9Å; V299-V305 HydrophobicContact CG2-CG2 3.49Å; V299-V305 VanDerWaalsContact CG2-CG2 3.49Å
300A97.1Very high92.5Very high89 Ų8960.6 Ų60.674%0.73633%0.328SS*.Hα-helixtrans-64.2-20.4176.900000113.4Q296 E298Q296-A300 WeakPolarHBondContact O-CB 3.16Å; Q296-A300 PolarHBondContact O-N 3.18Å; E298-A300 VanDerWaalsContact C-N 3.3Å; E298-A300 PolarHBondContact O-N 2.95Å
301K96.1Very high90.3Very high128 Ų12860.9 Ų60.956%0.55733%0.329SS*.THydrogen-bonded Turntrans-91.1-0.3172.5-62.7168-167170.20113.2E297 E298 V299 F303E297-K301 WeakPolarHBondContact O-CG 3.28Å; E297-K301 PolarHBondContact O-N 3.47Å; E298-K301 WeakPolarHBondContact O-CB 3.43Å; E298-K301 PolarHBondContact O-N 2.97Å; E298-K301 IonicContact OE1-NZ 3.31Å; E298-K301 PolarHBondContact OE1-NZ 2.92Å; E298-K301 IonicContact OE2-NZ 2.98Å; E298-K301 PolarHBondContact OE2-NZ 3.1Å; V299-K301 PolarHBondContact O-N 3.2Å; K301-F303 HydrophobicContact CB-CD2 3.72Å; K301-F303 HydrophobicContact CB-CE2 3.79Å; K301-F303 HydrophobicContact CD-CD2 4.38Å; K301-F303 HydrophobicContact CD-CE2 4.14Å
302G95Very high88.1Confident70 Ų7063.2 Ų63.272%0.72234%0.339SS*.THydrogen-bonded Turntrans89.810.9179.600000115.2E298 V299E298-G302 PolarHBondContact O-N 2.76Å; V299-G302 PolarHBondContact O-N 3.29Å
303F93.1Very high85.7Confident104 Ų10464.6 Ų64.646%0.45634%0.344SS..  trans-82.7140.4176.6-64.9-76000112.2E298 K301E298-F303 HydrophobicContact CB-CB 4.2Å; E298-F303 HydrophobicContact CB-CD2 4.37Å; E298-F303 PolarHBondContact O-N 3.04Å; E298-F303 VanDerWaalsContact OE2-CD2 3.31Å; E298-F303 WeakPolarHBondContact OE2-CD2 3.31Å; K301-F303 HydrophobicContact CB-CD2 3.72Å; K301-F303 HydrophobicContact CB-CE2 3.79Å; K301-F303 HydrophobicContact CD-CD2 4.38Å; K301-F303 HydrophobicContact CD-CE2 4.14Å
304D92.4Very high82.6Confident76 Ų7660.8 Ų60.841%0.40634%0.34SS..  trans-79.8116.9167.4177.512.1000110.8K128 L306 T307K128-D304 WeakPolarHBondContact CE-O 3.03Å; K128-D304 PolarHBondContact NZ-O 3.31Å; D304-L306 PolarHBondContact OD1-N 3.34Å; D304-T307 PolarHBondContact OD1-N 3.47Å; D304-T307 VanDerWaalsContact OD1-N 3.17Å; D304-T307 WeakPolarHBondContact OD2-CB 3.46Å; D304-T307 PolarHBondContact OD2-OG1 3.45Å
305V93.4Very high79.7Confident4 Ų466.4 Ų66.42%0.02437%0.371CS..  trans-105-11.3-179.3-53.30000113.5N131 M295 E298 V299N131-V305 VanDerWaalsContact CB-O 3.32Å; N131-V305 WeakPolarHBondContact CB-O 3.12Å; N131-V305 PolarHBondContact ND2-O 3.35Å; M295-V305 HydrophobicContact CB-CG2 4.19Å; M295-V305 HydrophobicContact CE-CG2 3.87Å; E298-V305 HydrophobicContact CB-CG1 3.8Å; V299-V305 HydrophobicContact CG2-CB 4.35Å; V299-V305 HydrophobicContact CG2-CG1 3.9Å; V299-V305 HydrophobicContact CG2-CG2 3.49Å; V299-V305 VanDerWaalsContact CG2-CG2 3.49Å
306L93Very high76.7Confident99 Ų9971.7 Ų71.752%0.51840%0.4SS..SBendtrans-96.2-34.8-170.4-65.8-177.5000112.5M295 D304 L308M295-L306 HydrophobicContact CE-CD2 3.92Å; D304-L306 PolarHBondContact OD1-N 3.34Å; L306-L308 PolarHBondContact O-N 2.8Å; L306-L308 VanDerWaalsContact O-N 3.1Å
307T90.2Very high73.9Confident43 Ų4370.7 Ų70.726%0.26440%0.398SS..  trans-71.6106.4177.3-54.20000109.3K128 N167 D304 N309 M311K128-T307 WeakPolarHBondContact CD-O 3.26Å; K128-T307 WeakPolarHBondContact CE-O 3.49Å; N167-T307 WeakPolarHBondContact OD1-CA 3.34Å; D304-T307 PolarHBondContact OD1-N 3.47Å; D304-T307 VanDerWaalsContact OD1-N 3.17Å; D304-T307 WeakPolarHBondContact OD2-CB 3.46Å; D304-T307 PolarHBondContact OD2-OG1 3.45Å; T307-N309 WeakPolarHBondContact CG2-O 3.5Å; T307-M311 VanDerWaalsContact O-CG 3.26Å; T307-M311 WeakPolarHBondContact O-CG 3.42Å
308L85.7Confident71.1Confident0 Ų072.9 Ų72.90%041%0.412CS..  trans-95.1-27.6172.4-57.9-174.3000112.2K128 N131 I132 L160 N167 I169 L306 M311K128-L308 HydrophobicContact CB-CD2 4.36Å; N131-L308 HydrophobicContact CB-CD2 4.47Å; I132-L308 HydrophobicContact CD1-CD2 4.43Å; I132-L308 HydrophobicContact CG1-CD1 3.98Å; I132-L308 HydrophobicContact CG1-CD2 4.01Å; L160-L308 HydrophobicContact CD1-CB 4.31Å; L160-L308 WeakPolarHBondContact CD1-O 3.47Å; L160-L308 HydrophobicContact CD2-CB 3.98Å; L160-L308 HydrophobicContact CD2-CD1 4.06Å; N167-L308 WeakPolarHBondContact O-CD1 3.4Å; N167-L308 PolarHBondContact OD1-N 2.95Å; I169-L308 HydrophobicContact CG2-CD1 3.94Å; L306-L308 PolarHBondContact O-N 2.8Å; L306-L308 VanDerWaalsContact O-N 3.1Å; L308-M311 VanDerWaalsContact C-CG 3.48Å; L308-M311 VanDerWaalsContact CA-CG 3.44Å; L308-M311 WeakPolarHBondContact CA-SD 3.1Å; L308-M311 HydrophobicContact CB-CG 4.47Å; L308-M311 HydrophobicContact CB-SD 3.84Å; L308-M311 HydrophobicContact CD2-SD 3.42Å; L308-M311 WeakPolarHBondContact CD2-SD 3.14Å; L308-M311 HydrophobicContact CG-SD 4.21Å; L308-M311 WeakPolarHBondContact O-CB 3.44Å; L308-M311 WeakPolarHBondContact O-CG 3.32Å; L308-M311 PolarHBondContact O-N 2.84Å; L308-M311 VanDerWaalsContact O-SD 3.4Å
309N69.3Low68.1Low44 Ų4477.8 Ų77.824%0.23544%0.443CS..THydrogen-bonded Turntrans-129.2121.3173.4-165.924.8000109.9L160 K166 N167 T307L160-N309 HydrophobicContact CD1-CB 4.02Å; K166-N309 HydrophobicContact CB-CB 3.75Å; K166-N309 HydrophobicContact CD-CB 4.25Å; K166-N309 WeakPolarHBondContact CE-O 3.17Å; K166-N309 HydrophobicContact CG-CB 4.02Å; K166-N309 VanDerWaalsContact O-CB 3.23Å; K166-N309 WeakPolarHBondContact O-CB 3.12Å; N167-N309 PolarHBondContact OD1-N 2.89Å; T307-N309 WeakPolarHBondContact CG2-O 3.5Å
310P59.7Low64.9Low39 Ų3977 Ų7725%0.25344%0.441SS..THydrogen-bonded Turncis-91.91061.740.9-34.7000108F312 E313P310-F312 PolarHBondContact O-N 3Å; P310-E313 HydrophobicContact CB-CB 3.24Å; P310-E313 HydrophobicContact CB-CG 3.12Å; P310-E313 WeakPolarHBondContact CB-OE1 3.47Å; P310-E313 WeakPolarHBondContact CB-OE2 3.45Å; P310-E313 HydrophobicContact CG-CB 3.5Å; P310-E313 VanDerWaalsContact CG-CB 3.5Å; P310-E313 VanDerWaalsContact CG-CD 3.44Å; P310-E313 HydrophobicContact CG-CG 3.74Å; P310-E313 WeakPolarHBondContact CG-OE2 3.35Å
311M52.7Low61.9Low27 Ų2778.5 Ų78.513%0.13345%0.446CS..SBendtrans-58.8-2.4166.1-91.7167.872.700112.6I124 K128 I132 T307 L308I124-M311 HydrophobicContact CB-CE 4.46Å; I124-M311 HydrophobicContact CD1-CE 4.09Å; I124-M311 HydrophobicContact CG2-CE 3.2Å; K128-M311 HydrophobicContact CB-CE 3.7Å; K128-M311 HydrophobicContact CB-SD 4.19Å; K128-M311 HydrophobicContact CD-CE 3.64Å; K128-M311 HydrophobicContact CD-CG 3.38Å; K128-M311 HydrophobicContact CD-SD 3.72Å; K128-M311 HydrophobicContact CG-CE 4.34Å; I132-M311 HydrophobicContact CD1-CE 4.37Å; T307-M311 VanDerWaalsContact O-CG 3.26Å; T307-M311 WeakPolarHBondContact O-CG 3.42Å; L308-M311 VanDerWaalsContact C-CG 3.48Å; L308-M311 VanDerWaalsContact CA-CG 3.44Å; L308-M311 WeakPolarHBondContact CA-SD 3.1Å; L308-M311 HydrophobicContact CB-CG 4.47Å; L308-M311 HydrophobicContact CB-SD 3.84Å; L308-M311 HydrophobicContact CD2-SD 3.42Å; L308-M311 WeakPolarHBondContact CD2-SD 3.14Å; L308-M311 HydrophobicContact CG-SD 4.21Å; L308-M311 WeakPolarHBondContact O-CB 3.44Å; L308-M311 WeakPolarHBondContact O-CG 3.32Å; L308-M311 PolarHBondContact O-N 2.84Å; L308-M311 VanDerWaalsContact O-SD 3.4Å
312F51.9Low58.7Low49 Ų4979.6 Ų79.622%0.21545%0.453CS..SBendtrans-158.72.3-148.6-69.1-49.4000115.5I115 H119 I124 P310 S314I115-F312 HydrophobicContact CB-CD2 4.33Å; I115-F312 HydrophobicContact CB-CE2 4.37Å; I115-F312 HydrophobicContact CG1-CD2 4.44Å; I115-F312 HydrophobicContact CG2-CD2 3.16Å; I115-F312 HydrophobicContact CG2-CE2 2.93Å; I115-F312 HydrophobicContact CG2-CG 4.11Å; I115-F312 HydrophobicContact CG2-CZ 3.71Å; H119-F312 AromaticContact CD2-CD1 3.05Å; H119-F312 WeakPolarHBondContact CD2-CD1 3.49Å; H119-F312 AromaticContact CD2-CE1 3.65Å; H119-F312 AromaticContact CD2-CG 3.42Å; H119-F312 VanDerWaalsContact CD2-CG 3.42Å; H119-F312 WeakPolarHBondContact CD2-CG 3.48Å; H119-F312 AromaticContact CE1-CD1 3.48Å; H119-F312 VanDerWaalsContact CE1-CD1 3.48Å; H119-F312 WeakPolarHBondContact CE1-CD1 3.45Å; H119-F312 AromaticContact CE1-CG 3.96Å; H119-F312 AromaticContact CG-CD1 3.51Å; H119-F312 AromaticContact CG-CE1 3.86Å; H119-F312 AromaticContact ND1-CD1 3.73Å; H119-F312 WeakPolarHBondContact NE2-CB 3.36Å; H119-F312 AromaticContact NE2-CD1 3.09Å; H119-F312 WeakPolarHBondContact NE2-CD1 3.22Å; H119-F312 AromaticContact NE2-CG 3.21Å; H119-F312 WeakPolarHBondContact NE2-CG 3.39Å; I124-F312 HydrophobicContact CD1-CZ 3.92Å; I124-F312 HydrophobicContact CG1-CZ 4.04Å; P310-F312 PolarHBondContact O-N 3Å; F312-S314 PolarHBondContact O-N 3.31Å
313E46.5Very low55.7Low93 Ų9384 Ų8444%0.43546%0.455SS..  trans-76.5113.1-178.1-87.6164.7-158.600110P310P310-E313 HydrophobicContact CB-CB 3.24Å; P310-E313 HydrophobicContact CB-CG 3.12Å; P310-E313 WeakPolarHBondContact CB-OE1 3.47Å; P310-E313 WeakPolarHBondContact CB-OE2 3.45Å; P310-E313 HydrophobicContact CG-CB 3.5Å; P310-E313 VanDerWaalsContact CG-CB 3.5Å; P310-E313 VanDerWaalsContact CG-CD 3.44Å; P310-E313 HydrophobicContact CG-CG 3.74Å; P310-E313 WeakPolarHBondContact CG-OE2 3.35Å
314S34.3Very low53Low70 Ų7084.8 Ų84.849%0.4946%0.458SS..  -79.6137.3115.653.20000108.2F312 D316F312-S314 PolarHBondContact O-N 3.31Å; S314-D316 PolarHBondContact O-N 3.42Å
315D36.4Very low50.4Low137 Ų13788.4 Ų88.473%0.73347%0.473SS*.THydrogen-bonded Turntrans-55.5-0-179.8-85.1-48.9000115.6
316D35.5Very low47.7Very low123 Ų12395.2 Ų95.266%0.65851%0.508SS*.THydrogen-bonded Turntrans-89.2-9.9-170.1-77.3-30.7000115.5S314 T319S314-D316 PolarHBondContact O-N 3.42Å; D316-T319 PolarHBondContact O-OG1 3.2Å
317L39.5Very low45.3Very low102 Ų10294.4 Ų94.453%0.53450%0.504SS..SBendtrans-95.7-5.3-172.4-75.6166000115.3
318L37.6Very low42.9Very low143 Ų14396.6 Ų96.675%0.74951%0.514SS*.SBendtrans-92.4-5.3173.8-73.1169.4000113.2
319T34.6Very low41Very low112 Ų11299.7 Ų99.769%0.68754%0.54SS*.SBendtrans-107.4-11.7-179.858.80000114.1D316 S321D316-T319 PolarHBondContact O-OG1 3.2Å; T319-S321 PolarHBondContact O-N 3.05Å
320S30Very low40.1Very low65 Ų6599.1 Ų99.146%0.45554%0.538SS..  trans-85.995.8170.4560000110.7E322S320-E322 PolarHBondContact O-N 2.98Å
321S33.1Very low40.4Very low120 Ų12098.1 Ų98.184%0.83953%0.531SS*.  trans-66.719.7168.254.30000114T319T319-S321 PolarHBondContact O-N 3.05Å
322E29.2Very low41.6Very low152 Ų152103.4 Ų103.471%0.7156%0.555SS**SBendtrans-138.2121.7-169.9-64.6-172.315300108.8S320S320-E322 PolarHBondContact O-N 2.98Å
323Q32Very low43.1Very low163 Ų163102.7 Ų102.776%0.76255%0.554SS**  trans8862176.6-55177.3-16.600117.6H325Q323-H325 VanDerWaalsContact C-N 3.28Å; Q323-H325 PolarHBondContact O-N 3.34Å; Q323-H325 VanDerWaalsContact O-N 3.1Å
324F37.3Very low45.1Very low120 Ų120101 Ų10153%0.52655%0.551SS.*  trans-68.396.3139-78.7-89.3000107.1I114 L326I114-F324 HydrophobicContact CD1-CE1 4.47Å; F324-L326 PolarHBondContact O-N 2.89Å
325H36.2Very low47.5Very low152 Ų152100.9 Ų100.970%0.70454%0.539SS*.  trans-61.3109.2168.9-89.2-69.6000108.3Q323Q323-H325 VanDerWaalsContact C-N 3.28Å; Q323-H325 PolarHBondContact O-N 3.34Å; Q323-H325 VanDerWaalsContact O-N 3.1Å
326L37.6Very low49.6Very low147 Ų14794.9 Ų94.977%0.7751%0.51SS*.  trans-35.5136.1168.7-75147.6000110.6F324 D328F324-L326 PolarHBondContact O-N 2.89Å; L326-D328 PolarHBondContact O-N 2.9Å
327D42Very low51.3Low82 Ų8295.5 Ų95.544%0.43952%0.518SS..  trans-42.3112.7179.8-79.4-47.4000111.9K117 A329K117-D327 IonicContact NZ-OD1 3.82Å; D327-A329 PolarHBondContact O-N 2.89Å
328D40.5Very low52.6Low88 Ų8896 Ų9647%0.47152%0.522SS..  trans-49.2123166.1-171.524.7000109.2L326 T330L326-D328 PolarHBondContact O-N 2.9Å; D328-T330 PolarHBondContact O-N 2.93Å; D328-T330 VanDerWaalsContact OD2-CG2 3.22Å; D328-T330 WeakPolarHBondContact OD2-CG2 3.47Å; D328-T330 PolarHBondContact OD2-OG1 3.13Å
329A44.6Very low54.2Low65 Ų6589.8 Ų89.854%0.53749%0.489SS..G310 helixtrans-62.96.9-176.600000113.8D327 E332D327-A329 PolarHBondContact O-N 2.89Å; A329-E332 WeakPolarHBondContact O-CG 3.47Å
330T50.9Low55.5Low32 Ų3291.3 Ų91.320%0.19649%0.492CS..G310 helixtrans-80.2-19.7-172.957.40000113.7D328D328-T330 PolarHBondContact O-N 2.93Å; D328-T330 VanDerWaalsContact OD2-CG2 3.22Å; D328-T330 WeakPolarHBondContact OD2-CG2 3.47Å; D328-T330 PolarHBondContact OD2-OG1 3.13Å
331D65.8Low57.3Low19 Ų1989.7 Ų89.710%0.10248%0.478CS..G310 helixtrans-11740.7178-78.5-39.4000112.4K154 T199 H201 Y202 K238 T333K154-D331 PolarHBondContact NZ-O 2.84Å; K154-D331 VanDerWaalsContact NZ-O 3.14Å; T199-D331 HydrophobicContact CG2-CB 3.88Å; T199-D331 PolarHBondContact OG1-O 2.99Å; H201-D331 WeakPolarHBondContact CB-OD1 3.38Å; H201-D331 IonicContact CD2-OD1 2.95Å; H201-D331 IonicContact CG-OD1 3.53Å; Y202-D331 PolarHBondContact OH-OD2 3.47Å; K238-D331 IonicContact NZ-OD2 3.12Å; K238-D331 PolarHBondContact NZ-OD2 3.09Å; D331-T333 PolarHBondContact O-N 2.89Å
332E78.6Confident58.5Low138 Ų13886.3 Ų86.365%0.64545%0.454SS*.PPolyproline II helixtrans-54.3124.3178.7-85.8-176.5-176.700112.1A329A329-E332 WeakPolarHBondContact O-CG 3.47Å
333T82.8Confident59.6Low33 Ų3381 Ų8120%0.20244%0.436CS..PPolyproline II helixtrans-74.5124170.8-64.40000109.1F38 D152 K154 L176 T199 D331F38-T333 HydrophobicContact CE2-CG2 4.41Å; D152-T333 VanDerWaalsContact OD2-CG2 3.23Å; D152-T333 WeakPolarHBondContact OD2-CG2 3.2Å; D152-T333 PolarHBondContact OD2-OG1 3.08Å; K154-T333 PolarHBondContact NZ-OG1 3.22Å; L176-T333 HydrophobicContact CD1-CG2 3.24Å; L176-T333 HydrophobicContact CG-CG2 4.28Å; T199-T333 PolarHBondContact OG1-OG1 2.82Å; D331-T333 PolarHBondContact O-N 2.89Å
334V87.6Confident60.3Low59 Ų5979.9 Ų79.936%0.35843%0.43SS..BIsolated β-bridgetrans-95.7143.3175.1-177.50000109.6F196 C197 G198 P200F196-V334 HydrophobicContact CD1-CB 3.78Å; F196-V334 HydrophobicContact CD1-CG1 3.97Å; F196-V334 HydrophobicContact CD1-CG2 4.24Å; F196-V334 HydrophobicContact CE1-CB 3.74Å; F196-V334 HydrophobicContact CE1-CG1 4.45Å; F196-V334 HydrophobicContact CE1-CG2 3.98Å; C197-V334 CarbonylContact C-O 3.54Å; C197-V334 VanDerWaalsContact CA-O 3.24Å; C197-V334 WeakPolarHBondContact CA-O 3.32Å; G198-V334 PolarHBondContact N-O 2.64Å; G198-V334 PolarHBondContact O-N 3.2Å; P200-V334 HydrophobicContact CG-CG2 4.36Å
335R84.7Confident60.3Low66 Ų6685.3 Ų85.325%0.24945%0.447CS..  trans-118.8124.4167.1-172173.9-170.6124.2-4.1110.1F38 D70 G175 L176 L341F38-R335 VanDerWaalsContact CE1-NH1 3.33Å; D70-R335 IonicContact OD1-CZ 3.97Å; D70-R335 IonicContact OD1-NE 2.88Å; D70-R335 IonicContact OD1-NH1 3.63Å; D70-R335 PolarHBondContact OD1-NH1 3.3Å; D70-R335 IonicContact OD1-NH2 2.89Å; D70-R335 PolarHBondContact OD1-NH2 3.45Å; D70-R335 IonicContact OD2-CZ 3.96Å; D70-R335 IonicContact OD2-NH1 3.7Å; G175-R335 PolarHBondContact O-NH1 3.34Å; L176-R335 HydrophobicContact CD2-CB 4.18Å; L176-R335 HydrophobicContact CD2-CG 3.91Å; R335-L341 VanDerWaalsContact NH2-CG 3.26Å
336G81.6Confident60.5Low11 Ų1188 Ų8811%0.11346%0.46CS..  trans-68.6139-177.100000113F196 C197 N338 D339F196-G336 VanDerWaalsContact O-CA 3.31Å; F196-G336 WeakPolarHBondContact O-CA 3.45Å; F196-G336 PolarHBondContact O-N 2.9Å; C197-G336 PolarHBondContact SG-N 3.36Å; G336-N338 PolarHBondContact O-N 3.36Å; G336-D339 WeakPolarHBondContact O-CB 3.28Å; G336-D339 PolarHBondContact O-N 2.88Å; G336-D339 VanDerWaalsContact O-N 3.08Å
337T72Confident61.6Low137 Ų13785.1 Ų85.184%0.8445%0.445SS*.THydrogen-bonded Turntrans-64.1-23.3-177.450.50000114.8
338N66.8Low62.6Low113 Ų11385.3 Ų85.360%0.60445%0.445SS*.THydrogen-bonded Turntrans-105.28177.2-67.9-17.1000112.9G336 L340G336-N338 PolarHBondContact O-N 3.36Å; N338-L340 VanDerWaalsContact C-N 3.35Å; N338-L340 PolarHBondContact O-N 3.39Å; N338-L340 VanDerWaalsContact O-N 3.09Å
339D70.5Confident63.9Low11 Ų1185.1 Ų85.16%0.05944%0.444CS..  trans-85.284178.2-164.951.2000110R151 R191 C197 G336 L341R151-D339 IonicContact CZ-OD1 3.88Å; R151-D339 IonicContact CZ-OD2 2.9Å; R151-D339 IonicContact NH1-OD1 2.69Å; R151-D339 PolarHBondContact NH1-OD1 2.97Å; R151-D339 IonicContact NH1-OD2 3.88Å; R151-D339 PolarHBondContact NH1-OD2 3.28Å; R151-D339 IonicContact NH2-OD1 3.84Å; R151-D339 IonicContact NH2-OD2 3.8Å; R151-D339 PolarHBondContact NH2-OD2 3.47Å; R191-D339 IonicContact CZ-OD1 3.15Å; R191-D339 IonicContact NH1-OD1 3.01Å; R191-D339 PolarHBondContact NH1-OD1 3.16Å; R191-D339 IonicContact NH2-OD1 3.16Å; R191-D339 PolarHBondContact NH2-OD1 2.65Å; C197-D339 VanDerWaalsContact SG-CB 3.54Å; C197-D339 PolarHBondContact SG-OD2 3.29Å; G336-D339 WeakPolarHBondContact O-CB 3.28Å; G336-D339 PolarHBondContact O-N 2.88Å; G336-D339 VanDerWaalsContact O-N 3.08Å; D339-L341 PolarHBondContact O-N 2.88Å
340L62.8Low65Low144 Ų14486.3 Ų86.375%0.75444%0.438SS*.  trans-67.7129.9180-60.8176.7000109.8N338N338-L340 VanDerWaalsContact C-N 3.35Å; N338-L340 PolarHBondContact O-N 3.39Å; N338-L340 VanDerWaalsContact O-N 3.09Å
341L66.8Low65.9Low32 Ų3289.7 Ų89.717%0.16845%0.454CS..  trans-54.8137.1156.5-72.4176.3000108C68 S69 D70 W73 R335 D339 A343C68-L341 HydrophobicContact CB-CB 4.36Å; C68-L341 HydrophobicContact CB-CD1 4.27Å; C68-L341 WeakPolarHBondContact O-CD1 3.31Å; S69-L341 VanDerWaalsContact C-CD1 3.45Å; S69-L341 WeakPolarHBondContact O-CD1 3.22Å; D70-L341 WeakPolarHBondContact OD1-CD1 3.34Å; W73-L341 HydrophobicContact CB-CD1 4.37Å; W73-L341 HydrophobicContact CB-CD2 3.45Å; W73-L341 VanDerWaalsContact CB-CD2 3.45Å; W73-L341 HydrophobicContact CB-CG 4.48Å; W73-L341 HydrophobicContact CD2-CD2 3.9Å; W73-L341 HydrophobicContact CG-CD2 3.29Å; R335-L341 VanDerWaalsContact NH2-CG 3.26Å; D339-L341 PolarHBondContact O-N 2.88Å; L341-A343 PolarHBondContact O-N 2.88Å
342P59Low65.9Low49 Ų4994.4 Ų94.432%0.31848%0.477SS..  trans-57.8111.7171.2-28.740.7000108.8W73 E344W73-P342 HydrophobicContact CE3-CB 4.47Å; W73-P342 HydrophobicContact CE3-CG 4.26Å; W73-P342 HydrophobicContact CH2-CB 3.87Å; W73-P342 VanDerWaalsContact CH2-CD 3.5Å; W73-P342 HydrophobicContact CH2-CG 3.25Å; W73-P342 HydrophobicContact CZ2-CG 3.79Å; W73-P342 HydrophobicContact CZ3-CB 3.66Å; W73-P342 VanDerWaalsContact CZ3-CD 3.46Å; W73-P342 HydrophobicContact CZ3-CG 3.5Å; W73-P342 VanDerWaalsContact CZ3-CG 3.5Å; P342-E344 PolarHBondContact O-N 2.96Å
343A51.4Low65Low40 Ų4091.3 Ų91.333%0.33147%0.465SS..  trans-57.8124.6143.600000103.7N67 L341 R345N67-A343 HydrophobicContact CB-CB 4.17Å; L341-A343 PolarHBondContact O-N 2.88Å; A343-R345 PolarHBondContact O-N 3.18Å
344E46.5Very low63.6Low140 Ų14095.8 Ų95.865%0.65449%0.485SS*.  trans-6081.2173.1-64.8-174.7133.200108.2H76 P342 E346H76-E344 IonicContact CE1-OE1 2.86Å; H76-E344 PolarHBondContact CE1-OE1 3.39Å; H76-E344 IonicContact ND1-OE1 3.89Å; H76-E344 IonicContact NE2-OE1 2.6Å; P342-E344 PolarHBondContact O-N 2.96Å; E344-E346 PolarHBondContact O-N 2.64Å
345R38Very low61.6Low233 Ų23398.8 Ų98.888%0.87950%0.496SS*.  trans-77.185.2157.5-71-169.4-179.3-168.60.8103.7A343A343-R345 PolarHBondContact O-N 3.18Å
346E39.4Very low59.5Low210 Ų210101.8 Ų101.898%0.98152%0.518SS*.  trans-48.30153.5-64.4-152.1113.800111K183 E344K183-E346 IonicContact NZ-OE1 2.76Å; K183-E346 PolarHBondContact NZ-OE1 3.14Å; E344-E346 PolarHBondContact O-N 2.64Å

Retrieved 346 of 346 residues in 71.7 ms (Link to these results)

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