A0A087WV25_HUMAN Loading...

Centrosomal protein 43

Required for anchoring microtubules to the centrosomes. Required for ciliation.

AlphaFold DB , UniProt , Accession A0A087WV25, Species HUMAN (Homo sapiens, Human), Gene CEP43, Length 351 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
1M53.7Low61.3Low209 Ų20991.3 Ų91.3100%1.0360%0.595SS**  0-49.30-133.5-173.8-111.900112.4T4 A5M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 PolarHBondContact O-OG1 3.18Å; M1-A5 PolarHBondContact O-N 2.91Å
2A55.7Low62.6Low86 Ų8693.3 Ų93.371%0.71159%0.59SS**Hα-helixtrans-64.7-50174.800000113.3T4 A5 A6A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.84Å; A2-A5 PolarHBondContact O-N 3.02Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A2-A6 PolarHBondContact O-N 3.07Å
3A56.8Low64.4Low81 Ų8191.9 Ų91.967%0.66958%0.576SS**Hα-helixtrans-59-39.717900000113.5A5 A6 A7A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.96Å; A3-A6 PolarHBondContact O-N 3.37Å; A3-A7 PolarHBondContact O-N 3.26Å
4T59.3Low66Low90 Ų9090 Ų9055%0.55256%0.563SS**Hα-helixtrans-66.8-31.6175.743.40000113.1M1 A2 V8M1-T4 VanDerWaalsContact C-OG1 3.28Å; M1-T4 VanDerWaalsContact CA-OG1 3.24Å; M1-T4 WeakPolarHBondContact CA-OG1 3.36Å; M1-T4 PolarHBondContact O-OG1 3.18Å; A2-T4 VanDerWaalsContact C-N 3.32Å; A2-T4 PolarHBondContact O-N 2.84Å; T4-V8 VanDerWaalsContact O-CG2 3.28Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3Å
5A58.7Low67.6Low57 Ų5793 Ų9347%0.47157%0.568SS.*Hα-helixtrans-74.3-38.617400000111.5M1 A2 A3 V8 V9M1-A5 PolarHBondContact O-N 2.91Å; A2-A5 PolarHBondContact O-N 3.02Å; A2-A5 VanDerWaalsContact O-N 3.07Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 2.96Å; A5-V8 PolarHBondContact O-N 3.42Å; A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.94Å
6A60.7Low69.2Low62 Ų6293.2 Ų93.251%0.51256%0.564SS.*Hα-helixtrans-64.8-40.8175.700000112.5A2 A3 A10A2-A6 PolarHBondContact O-N 3.07Å; A3-A6 PolarHBondContact O-N 3.37Å; A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.14Å
7A61.8Low70.7Confident55 Ų5596.6 Ų96.646%0.45556%0.564SS.*Hα-helixtrans-63.1-47.1175.400000112.1A3 V9 A10 E11A3-A7 PolarHBondContact O-N 3.26Å; A7-V9 PolarHBondContact O-N 2.86Å; A7-A10 PolarHBondContact O-N 3.41Å; A7-E11 PolarHBondContact O-N 2.74Å
8V62Low72Confident95 Ų9597.4 Ų97.458%0.57657%0.566SS**Hα-helixtrans-63.1-39.5178.5170.80000112.1T4 A5 E11 E12T4-V8 VanDerWaalsContact O-CG2 3.28Å; T4-V8 WeakPolarHBondContact O-CG2 3.49Å; T4-V8 PolarHBondContact O-N 3Å; A5-V8 PolarHBondContact O-N 3.42Å; V8-E11 PolarHBondContact O-N 2.68Å; V8-E12 WeakPolarHBondContact O-CB 3.45Å; V8-E12 PolarHBondContact O-N 2.77Å
9V65.2Low73.2Confident84 Ų8497.5 Ų97.551%0.50956%0.563SS.*Hα-helixtrans-68-36.5175.3170.50000111.6A5 A7 D13A5-V9 VanDerWaalsContact O-CG2 3.3Å; A5-V9 WeakPolarHBondContact O-CG2 3.3Å; A5-V9 PolarHBondContact O-N 2.94Å; A7-V9 PolarHBondContact O-N 2.86Å; V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.82Å
10A68.8Low74.2Confident54 Ų5497.7 Ų97.745%0.44656%0.561SS.*Hα-helixtrans-68.1-39.5175.700000112.3A6 A7 D13 T14A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.14Å; A7-A10 PolarHBondContact O-N 3.41Å; A10-D13 PolarHBondContact O-N 3.08Å; A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.05Å
11E71.3Confident75.1Confident131 Ų13196 Ų9661%0.61255%0.553SS**Hα-helixtrans-66.9-43.5175.6-71.4-161.2162.300111.9A7 V8 D13 T14 E15A7-E11 PolarHBondContact O-N 2.74Å; V8-E11 PolarHBondContact O-N 2.68Å; E11-D13 VanDerWaalsContact C-N 3.33Å; E11-D13 PolarHBondContact O-N 3.29Å; E11-T14 VanDerWaalsContact CA-OG1 3.31Å; E11-T14 WeakPolarHBondContact CA-OG1 3.49Å; E11-T14 PolarHBondContact O-N 3.41Å; E11-T14 PolarHBondContact O-OG1 3.36Å; E11-E15 WeakPolarHBondContact O-CG 3.44Å; E11-E15 PolarHBondContact O-N 3.23Å
12E77.2Confident77Confident115 Ų11591.5 Ų91.554%0.53753%0.529SS..Hα-helixtrans-59.5-42.1174.1-171173.2-168.800111.5V8 T14 E15 L16V8-E12 WeakPolarHBondContact O-CB 3.45Å; V8-E12 PolarHBondContact O-N 2.77Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 3.02Å; E12-E15 PolarHBondContact O-N 3.49Å; E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 WeakPolarHBondContact O-CD1 3.34Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 3.47Å
13D86.4Confident78.8Confident76 Ų7690.9 Ų90.941%0.40652%0.517SS..Hα-helixtrans-63.5-32.7173.3-99.74000113.1V9 A10 E11 R17V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.82Å; A10-D13 PolarHBondContact O-N 3.08Å; E11-D13 VanDerWaalsContact C-N 3.33Å; E11-D13 PolarHBondContact O-N 3.29Å; D13-R17 WeakPolarHBondContact O-CD 3.35Å; D13-R17 WeakPolarHBondContact O-CG 3.28Å; D13-R17 PolarHBondContact O-N 3Å; D13-R17 PolarHBondContact O-NE 3.27Å; D13-R17 IonicContact OD2-NH2 3.85Å
14T86.9Confident80.5Confident65 Ų6589.9 Ų89.940%0.39950%0.5SS..Hα-helixtrans-76-43.4174.549.40000112.5A10 E11 E12 L16 R17 D18A10-T14 PolarHBondContact O-N 2.97Å; A10-T14 PolarHBondContact O-OG1 3.05Å; E11-T14 VanDerWaalsContact CA-OG1 3.31Å; E11-T14 WeakPolarHBondContact CA-OG1 3.49Å; E11-T14 PolarHBondContact O-N 3.41Å; E11-T14 PolarHBondContact O-OG1 3.36Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 3.02Å; T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.22Å; T14-R17 WeakPolarHBondContact O-CB 3.34Å; T14-R17 PolarHBondContact O-N 3.37Å; T14-D18 PolarHBondContact O-N 3.12Å
15E90.3Very high81.9Confident135 Ų13589 Ų8963%0.63149%0.49SS*.Hα-helixtrans-58.5-40174.8-71.9-174.9-179.600111.2E11 E12 D18 L19E11-E15 WeakPolarHBondContact O-CG 3.44Å; E11-E15 PolarHBondContact O-N 3.23Å; E12-E15 PolarHBondContact O-N 3.49Å; E15-D18 PolarHBondContact O-N 3.46Å; E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.09Å
16L93.3Very high83.3Confident96 Ų9692.6 Ų92.650%0.50350%0.501SS..Hα-helixtrans-66.4-36.4175.4-73.1166.6000112.8E12 T14 L20E12-L16 HydrophobicContact CG-CD1 4.19Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 WeakPolarHBondContact O-CD1 3.34Å; E12-L16 WeakPolarHBondContact O-CG 3.44Å; E12-L16 PolarHBondContact O-N 3.47Å; T14-L16 VanDerWaalsContact C-N 3.26Å; T14-L16 PolarHBondContact O-N 3.22Å; L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 3.4Å; L16-L20 VanDerWaalsContact O-N 3.08Å
17R93.6Very high84.7Confident152 Ų15293 Ų9357%0.57450%0.5SS*.Hα-helixtrans-68-46.8174.7-72.9165.5-159.1-169.17.7111.2D13 T14 L20 V21D13-R17 WeakPolarHBondContact O-CD 3.35Å; D13-R17 WeakPolarHBondContact O-CG 3.28Å; D13-R17 PolarHBondContact O-N 3Å; D13-R17 PolarHBondContact O-NE 3.27Å; D13-R17 IonicContact OD2-NH2 3.85Å; T14-R17 WeakPolarHBondContact O-CB 3.34Å; T14-R17 PolarHBondContact O-N 3.37Å; R17-L20 WeakPolarHBondContact O-CB 3.47Å; R17-L20 PolarHBondContact O-N 2.97Å; R17-V21 WeakPolarHBondContact O-CG2 3.4Å; R17-V21 PolarHBondContact O-N 2.71Å
18D94.3Very high85.8Confident110 Ų11091.9 Ų91.959%0.58849%0.494SS*.Hα-helixtrans-67.6-40.2-178.2-70.8-13.2000111.4T14 E15 L20 V21 Q22T14-D18 PolarHBondContact O-N 3.12Å; E15-D18 PolarHBondContact O-N 3.46Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.25Å; D18-V21 PolarHBondContact O-N 2.84Å; D18-Q22 WeakPolarHBondContact O-CB 3.38Å; D18-Q22 PolarHBondContact O-N 2.78Å
19L94.6Very high87.2Confident99 Ų9990.2 Ų90.252%0.51848%0.483SS..Hα-helixtrans-61.5-38.9171.7-178.762.6000111.9E15 T23E15-L19 WeakPolarHBondContact O-CB 3.38Å; E15-L19 PolarHBondContact O-N 3.09Å; L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.24Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.18Å
20L94.4Very high88.3Confident101 Ų10188.2 Ų88.253%0.52947%0.47SS..Hα-helixtrans-67.3-44.5175.3179.762.4000111.5L16 R17 D18 T23 L24L16-L20 VanDerWaalsContact O-CB 3.3Å; L16-L20 WeakPolarHBondContact O-CB 3.32Å; L16-L20 PolarHBondContact O-N 3.4Å; L16-L20 VanDerWaalsContact O-N 3.08Å; R17-L20 WeakPolarHBondContact O-CB 3.47Å; R17-L20 PolarHBondContact O-N 2.97Å; D18-L20 VanDerWaalsContact C-N 3.31Å; D18-L20 PolarHBondContact O-N 3.25Å; L20-T23 PolarHBondContact O-N 3.4Å; L20-L24 HydrophobicContact CD1-CD1 4.07Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.89Å
21V92.5Very high89.1Confident64 Ų6489.5 Ų89.539%0.38847%0.469SS..Hα-helixtrans-57.6-52.5174.2170.20000109.9R17 D18 T23 L24 E25 L30R17-V21 WeakPolarHBondContact O-CG2 3.4Å; R17-V21 PolarHBondContact O-N 2.71Å; D18-V21 PolarHBondContact O-N 2.84Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.16Å; V21-L24 CarbonylContact O-C 3.59Å; V21-L24 PolarHBondContact O-N 3.04Å; V21-L24 VanDerWaalsContact O-N 3.09Å; V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.39Å; V21-L30 HydrophobicContact CG1-CD2 4.26Å
22Q93.3Very high89.8Confident113 Ų11390.1 Ų90.153%0.52847%0.466SS..Hα-helixtrans-59.2-38.9178.6-166.1-175.33700111.9D18 E25 N26D18-Q22 WeakPolarHBondContact O-CB 3.38Å; D18-Q22 PolarHBondContact O-N 2.78Å; Q22-E25 PolarHBondContact O-N 3.02Å; Q22-N26 VanDerWaalsContact O-CB 3.24Å; Q22-N26 WeakPolarHBondContact O-CB 3.31Å; Q22-N26 PolarHBondContact O-N 3.18Å; Q22-N26 PolarHBondContact O-ND2 2.76Å
23T93.3Very high90.4Very high74 Ų7488 Ų8845%0.45446%0.458SS..Hα-helixtrans-67.2-39.9175.9-600000112.1L19 L20 V21 S27L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.24Å; L19-T23 PolarHBondContact O-N 3.28Å; L19-T23 PolarHBondContact O-OG1 3.18Å; L20-T23 PolarHBondContact O-N 3.4Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.16Å; T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.04Å; T23-S27 PolarHBondContact O-OG 3.24Å
24L92.4Very high90.4Very high60 Ų6088.6 Ų88.631%0.31446%0.457SS..Hα-helixtrans-72.8-27.6176.9-68.7172.8000112.6L20 V21 S27 G28 V29 L30L20-L24 HydrophobicContact CD1-CD1 4.07Å; L20-L24 HydrophobicContact CD1-CG 4.16Å; L20-L24 HydrophobicContact CG-CD1 4Å; L20-L24 HydrophobicContact CG-CG 4.48Å; L20-L24 WeakPolarHBondContact O-CB 3.34Å; L20-L24 VanDerWaalsContact O-CG 3.28Å; L20-L24 WeakPolarHBondContact O-CG 3.44Å; L20-L24 PolarHBondContact O-N 2.89Å; V21-L24 CarbonylContact O-C 3.59Å; V21-L24 PolarHBondContact O-N 3.04Å; V21-L24 VanDerWaalsContact O-N 3.09Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-OG 2.93Å; L24-G28 PolarHBondContact O-N 3.34Å; L24-V29 HydrophobicContact CD2-CB 4.33Å; L24-V29 HydrophobicContact CD2-CG1 4.32Å; L24-V29 PolarHBondContact O-N 3.49Å; L24-V29 VanDerWaalsContact O-N 3.12Å; L24-L30 HydrophobicContact CB-CB 4.01Å; L24-L30 PolarHBondContact O-N 2.89Å
25E90.1Very high90.2Very high72 Ų7286.7 Ų86.734%0.33645%0.448SS..Hα-helixtrans-75.1-47.8171.6-71.4-172151.200111.9V21 Q22 S27 G28 L30 K34V21-E25 HydrophobicContact CG1-CG 4.43Å; V21-E25 WeakPolarHBondContact O-CG 3.49Å; V21-E25 PolarHBondContact O-N 3.39Å; Q22-E25 PolarHBondContact O-N 3.02Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.06Å; E25-G28 WeakPolarHBondContact O-CA 3.35Å; E25-G28 PolarHBondContact O-N 3.44Å; E25-L30 HydrophobicContact CG-CB 4.02Å; E25-L30 HydrophobicContact CG-CD2 3.53Å; E25-L30 HydrophobicContact CG-CG 4.35Å; E25-K34 IonicContact OE1-NZ 3.55Å; E25-K34 PolarHBondContact OE1-NZ 2.91Å
26N86.9Confident90Very high132 Ų13284.2 Ų84.271%0.70644%0.436SS*.Hα-helixtrans-63-33.9177.9-74.5-21000113Q22 G28Q22-N26 VanDerWaalsContact O-CB 3.24Å; Q22-N26 WeakPolarHBondContact O-CB 3.31Å; Q22-N26 PolarHBondContact O-N 3.18Å; Q22-N26 PolarHBondContact O-ND2 2.76Å; N26-G28 PolarHBondContact O-N 3.37Å
27S90.3Very high89.9Confident71 Ų7184.8 Ų84.850%0.49744%0.439SS..THydrogen-bonded Turntrans-78.9-3.3172.857.60000113.6T23 L24 E25 V29T23-S27 WeakPolarHBondContact O-CB 3.39Å; T23-S27 PolarHBondContact O-N 3.04Å; T23-S27 PolarHBondContact O-OG 3.24Å; L24-S27 WeakPolarHBondContact CA-OG 3.35Å; L24-S27 PolarHBondContact O-OG 2.93Å; E25-S27 VanDerWaalsContact C-N 3.3Å; E25-S27 PolarHBondContact O-N 3.06Å; S27-V29 PolarHBondContact O-N 3.49Å; S27-V29 VanDerWaalsContact O-N 3.13Å
28G84.9Confident89.5Confident31 Ų3186.3 Ų86.332%0.3245%0.445SS..SBendtrans72.5-6-17900000115.1L24 E25 N26 L30 N31 R32L24-G28 PolarHBondContact O-N 3.34Å; E25-G28 WeakPolarHBondContact O-CA 3.35Å; E25-G28 PolarHBondContact O-N 3.44Å; N26-G28 PolarHBondContact O-N 3.37Å; G28-L30 PolarHBondContact O-N 3.18Å; G28-N31 PolarHBondContact O-N 3.35Å; G28-R32 PolarHBondContact O-N 3.06Å
29V92.3Very high88.9Confident59 Ų5981.4 Ų81.436%0.35842%0.419SS..Hα-helixtrans-61.1-45.7-178.3176.70000111L24 S27 N31 R32 I33L24-V29 HydrophobicContact CD2-CB 4.33Å; L24-V29 HydrophobicContact CD2-CG1 4.32Å; L24-V29 PolarHBondContact O-N 3.49Å; L24-V29 VanDerWaalsContact O-N 3.12Å; S27-V29 PolarHBondContact O-N 3.49Å; S27-V29 VanDerWaalsContact O-N 3.13Å; V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 3.1Å; V29-R32 PolarHBondContact O-N 3.07Å; V29-I33 HydrophobicContact CG1-CD1 3.97Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.37Å
30L88.1Confident88.5Confident42 Ų4279.3 Ų79.322%0.2242%0.416CS..Hα-helixtrans-67.2-36.9178.9-163.367.8000111.6V21 L24 E25 G28 I33 K34V21-L30 HydrophobicContact CG1-CD2 4.26Å; L24-L30 HydrophobicContact CB-CB 4.01Å; L24-L30 PolarHBondContact O-N 2.89Å; E25-L30 HydrophobicContact CG-CB 4.02Å; E25-L30 HydrophobicContact CG-CD2 3.53Å; E25-L30 HydrophobicContact CG-CG 4.35Å; G28-L30 PolarHBondContact O-N 3.18Å; L30-I33 PolarHBondContact O-N 3.38Å; L30-K34 HydrophobicContact CG-CD 4.32Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 VanDerWaalsContact O-CG 3.23Å; L30-K34 WeakPolarHBondContact O-CG 3.36Å; L30-K34 PolarHBondContact O-N 3.36Å
31N84Confident88.1Confident82 Ų8278.7 Ų78.744%0.43942%0.416SS..Hα-helixtrans-67.5-36.8176.6-68.4-31.7000111.8G28 V29 K34 A35G28-N31 PolarHBondContact O-N 3.35Å; V29-N31 VanDerWaalsContact C-N 3.33Å; V29-N31 PolarHBondContact O-N 3.1Å; N31-K34 PolarHBondContact O-N 3.34Å; N31-A35 WeakPolarHBondContact O-CB 3.5Å; N31-A35 PolarHBondContact O-N 3.47Å
32R85.8Confident87.4Confident144 Ų14479.1 Ų79.154%0.54341%0.413SS..Hα-helixtrans-63-47.2171.9-164-174.879.3-176.22.5111.5G28 V29 A35 E36 F89G28-R32 PolarHBondContact O-N 3.06Å; V29-R32 PolarHBondContact O-N 3.07Å; R32-A35 PolarHBondContact O-N 3.25Å; R32-E36 VanDerWaalsContact O-CB 3.29Å; R32-E36 WeakPolarHBondContact O-CB 3.45Å; R32-E36 PolarHBondContact O-N 3.25Å; R32-F89 HydrophobicContact CG-CD2 3.82Å; R32-F89 HydrophobicContact CG-CE2 3.69Å
33I91.2Very high86.7Confident71 Ų7178.2 Ų78.236%0.36441%0.412SS..Hα-helixtrans-63.8-42.7177.5-65.7165.7000111V29 L30 A35 E36 L37V29-I33 HydrophobicContact CG1-CD1 3.97Å; V29-I33 WeakPolarHBondContact O-CG1 3.39Å; V29-I33 PolarHBondContact O-N 3.37Å; L30-I33 PolarHBondContact O-N 3.38Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 2.98Å; I33-E36 PolarHBondContact O-N 3.28Å; I33-L37 HydrophobicContact CG2-CD1 4.04Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.85Å
34K85.8Confident86.1Confident88 Ų8877.3 Ų77.338%0.38341%0.412SS..Hα-helixtrans-58.9-41.9173.8-74.5168.7179.8173.30111.4E25 L30 N31 R38E25-K34 IonicContact OE1-NZ 3.55Å; E25-K34 PolarHBondContact OE1-NZ 2.91Å; L30-K34 HydrophobicContact CG-CD 4.32Å; L30-K34 WeakPolarHBondContact O-CB 3.39Å; L30-K34 VanDerWaalsContact O-CG 3.23Å; L30-K34 WeakPolarHBondContact O-CG 3.36Å; L30-K34 PolarHBondContact O-N 3.36Å; N31-K34 PolarHBondContact O-N 3.34Å; K34-R38 VanDerWaalsContact O-CG 3.3Å; K34-R38 WeakPolarHBondContact O-CG 3.45Å; K34-R38 PolarHBondContact O-N 3.45Å
35A83.2Confident85.3Confident25 Ų2579.4 Ų79.421%0.20742%0.422CS..Hα-helixtrans-70.1-41.7176.900000112.7N31 R32 I33 R38 A39 F89N31-A35 WeakPolarHBondContact O-CB 3.5Å; N31-A35 PolarHBondContact O-N 3.47Å; R32-A35 PolarHBondContact O-N 3.25Å; I33-A35 VanDerWaalsContact C-N 3.32Å; I33-A35 PolarHBondContact O-N 2.98Å; A35-R38 PolarHBondContact O-N 3.25Å; A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.37Å; A35-F89 HydrophobicContact CB-CB 4.11Å
36E86.1Confident84.3Confident83 Ų8378.6 Ų78.639%0.38842%0.418SS..Hα-helixtrans-62.1-43.2175.4179.7169.6-168.500111.6R32 I33 A39 A40 F89R32-E36 VanDerWaalsContact O-CB 3.29Å; R32-E36 WeakPolarHBondContact O-CB 3.45Å; R32-E36 PolarHBondContact O-N 3.25Å; I33-E36 PolarHBondContact O-N 3.28Å; E36-A39 PolarHBondContact O-N 2.76Å; E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.41Å; E36-F89 HydrophobicContact CB-CD1 3.76Å; E36-F89 HydrophobicContact CB-CE1 3.72Å; E36-F89 HydrophobicContact CB-CG 4.25Å; E36-F89 HydrophobicContact CB-CZ 4.17Å; E36-F89 HydrophobicContact CG-CD1 3.99Å; E36-F89 HydrophobicContact CG-CE1 3.51Å; E36-F89 HydrophobicContact CG-CZ 4.05Å
37L90.7Very high83.3Confident107 Ų10779.3 Ų79.356%0.5642%0.418SS*.Hα-helixtrans-63.4-43.9172.6-73.7171.6000112.1I33 A39 A40 V41I33-L37 HydrophobicContact CG2-CD1 4.04Å; I33-L37 HydrophobicContact CG2-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CB 3.47Å; I33-L37 WeakPolarHBondContact O-CG 3.34Å; I33-L37 PolarHBondContact O-N 2.85Å; L37-A39 PolarHBondContact O-N 3.45Å; L37-A40 PolarHBondContact O-N 3.44Å; L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å; L37-V41 PolarHBondContact O-N 3.3Å
38R85Confident81.8Confident185 Ų18583.2 Ų83.270%0.69843%0.428SS*.Hα-helixtrans-59.6-45.4174.7-76.9175.5-179.9-162.90.1111.6K34 A35 F42 V93K34-R38 VanDerWaalsContact O-CG 3.3Å; K34-R38 WeakPolarHBondContact O-CG 3.45Å; K34-R38 PolarHBondContact O-N 3.45Å; A35-R38 PolarHBondContact O-N 3.25Å; R38-F42 WeakPolarHBondContact O-CB 3.47Å; R38-F42 PolarHBondContact O-N 3.3Å; R38-V93 HydrophobicContact CB-CG2 4.19Å
39A82.9Confident80.4Confident7 Ų785.5 Ų85.56%0.05843%0.43CS..Hα-helixtrans-63.5-47176.800000111.8A35 E36 L37 F42 L43 A92 V93A35-A39 WeakPolarHBondContact O-CB 3.49Å; A35-A39 PolarHBondContact O-N 3.37Å; E36-A39 PolarHBondContact O-N 2.76Å; L37-A39 PolarHBondContact O-N 3.45Å; A39-F42 PolarHBondContact O-N 3.41Å; A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 3.45Å; A39-L43 PolarHBondContact O-N 3.45Å; A39-A92 HydrophobicContact CB-CB 3.9Å; A39-V93 HydrophobicContact CB-CG2 4.1Å
40A84.4Confident78.6Confident55 Ų5590.7 Ų90.746%0.45545%0.448SS..Hα-helixtrans-64.3-42.8-179.700000112.7E36 L37 F42 L43 A44E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.33Å; E36-A40 PolarHBondContact O-N 3.41Å; L37-A40 PolarHBondContact O-N 3.44Å; A40-F42 VanDerWaalsContact C-N 3.32Å; A40-L43 PolarHBondContact O-N 3.38Å; A40-A44 WeakPolarHBondContact O-CB 3.18Å; A40-A44 PolarHBondContact O-N 3.24Å
41V86.3Confident76.9Confident87 Ų8794.9 Ų94.953%0.52748%0.475SS..Hα-helixtrans-61.8-41.8172.8170.10000110.5L37 A44 L45L37-V41 WeakPolarHBondContact O-CB 3.31Å; L37-V41 VanDerWaalsContact O-CG2 3.26Å; L37-V41 WeakPolarHBondContact O-CG2 3.4Å; L37-V41 PolarHBondContact O-N 3.3Å; V41-A44 PolarHBondContact O-N 3.21Å; V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 3.32Å; V41-L45 VanDerWaalsContact O-N 3.09Å
42F77.9Confident75.3Confident74 Ų7496.3 Ų96.333%0.32548%0.479SS..Hα-helixtrans-64-50.2177.8-161.8-75.4000112.1R38 A39 A40 A44 L45 E46 P96R38-F42 WeakPolarHBondContact O-CB 3.47Å; R38-F42 PolarHBondContact O-N 3.3Å; A39-F42 PolarHBondContact O-N 3.41Å; A40-F42 VanDerWaalsContact C-N 3.32Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.45Å; F42-L45 PolarHBondContact O-N 3.44Å; F42-L45 VanDerWaalsContact O-N 3.17Å; F42-E46 HydrophobicContact CD1-CB 4.44Å; F42-E46 HydrophobicContact CE1-CB 4.1Å; F42-E46 PolarHBondContact O-N 3.27Å; F42-P96 HydrophobicContact CD1-CB 3.67Å; F42-P96 HydrophobicContact CD1-CG 3.51Å; F42-P96 HydrophobicContact CD2-CB 4.48Å; F42-P96 HydrophobicContact CD2-CG 4.38Å; F42-P96 HydrophobicContact CE1-CB 3.1Å; F42-P96 HydrophobicContact CE1-CG 3.54Å; F42-P96 HydrophobicContact CE2-CB 3.99Å; F42-P96 HydrophobicContact CE2-CG 4.37Å; F42-P96 HydrophobicContact CG-CB 4.37Å; F42-P96 HydrophobicContact CG-CG 4Å; F42-P96 HydrophobicContact CZ-CB 3.3Å; F42-P96 HydrophobicContact CZ-CG 4Å
43L80.1Confident73.6Confident94 Ų9497.8 Ų97.849%0.49250%0.498SS..Hα-helixtrans-57.7-40.7177.9-95.169.8000112A39 A40 E46 E47 A92A39-L43 VanDerWaalsContact O-CD1 3.26Å; A39-L43 WeakPolarHBondContact O-CD1 3.45Å; A39-L43 PolarHBondContact O-N 3.45Å; A40-L43 PolarHBondContact O-N 3.38Å; L43-E46 PolarHBondContact O-N 3.44Å; L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.09Å; L43-A92 HydrophobicContact CD1-CB 4.4Å
44A80.6Confident71.7Confident55 Ų55100.8 Ų100.846%0.45551%0.508SS..Hα-helixtrans-65.5-39.3177.900000112.6A40 V41 F42 Q48A40-A44 WeakPolarHBondContact O-CB 3.18Å; A40-A44 PolarHBondContact O-N 3.24Å; V41-A44 PolarHBondContact O-N 3.21Å; F42-A44 VanDerWaalsContact C-N 3.28Å; F42-A44 PolarHBondContact O-N 3.45Å; A44-Q48 PolarHBondContact O-N 3.13Å
45L74.7Confident70Confident103 Ų103102.8 Ų102.854%0.53953%0.528SS..Hα-helixtrans-69-42.3175.3-69172000111.6V41 F42 Q48 E49V41-L45 HydrophobicContact CG1-CD1 4.04Å; V41-L45 WeakPolarHBondContact O-CG 3.41Å; V41-L45 PolarHBondContact O-N 3.32Å; V41-L45 VanDerWaalsContact O-N 3.09Å; F42-L45 PolarHBondContact O-N 3.44Å; F42-L45 VanDerWaalsContact O-N 3.17Å; L45-Q48 PolarHBondContact O-N 3.15Å; L45-E49 WeakPolarHBondContact O-CB 3.32Å; L45-E49 PolarHBondContact O-N 3.42Å
46E69.3Low68.8Low55 Ų55105 Ų10526%0.25754%0.541SS..Hα-helixtrans-64.3-39.3177.5-174.3-177.4-98.700112.6F42 L43 Q48 E49 K50F42-E46 HydrophobicContact CD1-CB 4.44Å; F42-E46 HydrophobicContact CE1-CB 4.1Å; F42-E46 PolarHBondContact O-N 3.27Å; L43-E46 PolarHBondContact O-N 3.44Å; E46-Q48 PolarHBondContact O-N 2.93Å; E46-E49 PolarHBondContact O-N 2.97Å; E46-K50 PolarHBondContact O-N 3.33Å
47E65.6Low67.5Low148 Ų148109.5 Ų109.569%0.69257%0.566SS**Hα-helixtrans-61.1-33.5175.7-175.7163.4-146.400111.8L43L43-E47 WeakPolarHBondContact O-CB 3.38Å; L43-E47 PolarHBondContact O-N 3.09Å
48Q59.3Low66.3Low153 Ų153106.5 Ų106.572%0.71555%0.552SS**Hα-helixtrans-83.2-27.9177.9-147.4151.932.100112.8A44 L45 E46 K50A44-Q48 PolarHBondContact O-N 3.13Å; L45-Q48 PolarHBondContact O-N 3.15Å; E46-Q48 PolarHBondContact O-N 2.93Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 2.82Å
49E55.2Low66.1Low78 Ų78101.8 Ų101.836%0.36454%0.541SS..Hα-helixtrans-73.4-17.5178-163.6171.3-152.400113.6L45 E46 V51 E52 K54L45-E49 WeakPolarHBondContact O-CB 3.32Å; L45-E49 PolarHBondContact O-N 3.42Å; E46-E49 PolarHBondContact O-N 2.97Å; E49-V51 PolarHBondContact O-N 3.33Å; E49-E52 WeakPolarHBondContact CG-O 3.44Å; E49-E52 CarbonylContact O-C 3.45Å; E49-E52 PolarHBondContact O-N 3.49Å; E49-K54 WeakPolarHBondContact OE1-CB 3.38Å
50K54.5Low66.2Low169 Ų169105.7 Ų105.774%0.73556%0.558SS**THydrogen-bonded Turntrans-54.8-13.5171.8-82174.1-178.2155.50115.1E46 Q48E46-K50 PolarHBondContact O-N 3.33Å; Q48-K50 VanDerWaalsContact C-N 3.32Å; Q48-K50 PolarHBondContact O-N 2.82Å
51V53.6Low66.4Low130 Ų130107 Ų10779%0.78856%0.564SS**THydrogen-bonded Turntrans-102.7-24.6178.2-175.50000112.9E49E49-V51 PolarHBondContact O-N 3.33Å
52E49.4Very low66.5Low112 Ų112105 Ų10552%0.52355%0.55SS.*SBendtrans-130.4107.6-179.1-71.9-164.7158.200111.7E49 K54E49-E52 WeakPolarHBondContact CG-O 3.44Å; E49-E52 CarbonylContact O-C 3.45Å; E49-E52 PolarHBondContact O-N 3.49Å; E52-K54 PolarHBondContact O-N 3.32Å; E52-K54 WeakPolarHBondContact OE2-CE 3.4Å; E52-K54 IonicContact OE2-NZ 2.61Å; E52-K54 PolarHBondContact OE2-NZ 2.91Å
53N49.5Very low66.9Low174 Ų174105.6 Ų105.693%0.9355%0.552SS**  trans-58.8100.6172.5-57.5-86.4000110.7
54K50.9Low67.3Low134 Ų134108.1 Ų108.158%0.58356%0.559SS**  trans-112.7153.3164.8-75.8162.5-179.8156.90109E49 E52E49-K54 WeakPolarHBondContact OE1-CB 3.38Å; E52-K54 PolarHBondContact O-N 3.32Å; E52-K54 WeakPolarHBondContact OE2-CE 3.4Å; E52-K54 IonicContact OE2-NZ 2.61Å; E52-K54 PolarHBondContact OE2-NZ 2.91Å
55T50.1Low67.8Low131 Ų131110 Ų11080%0.80456%0.557SS**  trans-70.2127.4-175.341.10000108.9
56P58Low68.5Low72 Ų72106 Ų10647%0.46854%0.536SS..  trans-54.2154.1170.9-20.530.3000109.7V58P56-V58 HydrophobicContact CB-CG2 4.25Å; P56-V58 WeakPolarHBondContact O-CG2 3.24Å; P56-V58 PolarHBondContact O-N 3.27Å
57L58.9Low69.5Low176 Ų176108.5 Ų108.592%0.92155%0.552SS**  trans-73.165.2172.4-16575.5000109.6N59L57-N59 PolarHBondContact O-N 2.54Å
58V65.5Low70.7Confident45 Ų45104.6 Ų104.627%0.27354%0.538SS..  trans-71.6114.9-169-129.60000109.8P56 E60 K63P56-V58 HydrophobicContact CB-CG2 4.25Å; P56-V58 WeakPolarHBondContact O-CG2 3.24Å; P56-V58 PolarHBondContact O-N 3.27Å; V58-E60 PolarHBondContact O-N 3.24Å; V58-K63 HydrophobicContact CB-CD 4.42Å; V58-K63 HydrophobicContact CG1-CB 4.23Å; V58-K63 HydrophobicContact CG1-CD 3.89Å; V58-K63 HydrophobicContact CG1-CG 4.15Å
59N82Confident72.2Confident85 Ų85106 Ų10646%0.45554%0.542SS..  trans-65.499.8162.5179.8-21.4000108.4L57 S61 L62 K63L57-N59 PolarHBondContact O-N 2.54Å; N59-S61 PolarHBondContact O-N 3.02Å; N59-S61 VanDerWaalsContact O-N 3.14Å; N59-S61 WeakPolarHBondContact OD1-CB 3.29Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.48Å; N59-L62 HydrophobicContact CB-CB 3.96Å; N59-L62 WeakPolarHBondContact O-CB 3.24Å; N59-L62 PolarHBondContact O-N 2.86Å; N59-L62 VanDerWaalsContact O-N 3.09Å; N59-L62 PolarHBondContact OD1-N 2.9Å; N59-K63 WeakPolarHBondContact O-CB 3.27Å; N59-K63 PolarHBondContact O-N 3.04Å
60E84.4Confident73.9Confident89 Ų89108 Ų10842%0.41656%0.555SS.*Hα-helixtrans-61.3-22.5-176.4-74.7-64.4139.100113.7V58 K63 K64V58-E60 PolarHBondContact O-N 3.24Å; E60-K63 VanDerWaalsContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE1-CD 3.5Å; E60-K63 IonicContact OE1-NZ 2.89Å; E60-K63 PolarHBondContact OE1-NZ 3.23Å; E60-K63 WeakPolarHBondContact OE2-CD 3.37Å; E60-K63 IonicContact OE2-NZ 3.28Å; E60-K64 WeakPolarHBondContact O-CD 3.19Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.32Å
61S88.1Confident75.6Confident82 Ų82100 Ų10057%0.57352%0.52SS*.Hα-helixtrans-73.3-46.1173.275.20000111.2N59 K64 F65N59-S61 PolarHBondContact O-N 3.02Å; N59-S61 VanDerWaalsContact O-N 3.14Å; N59-S61 WeakPolarHBondContact OD1-CB 3.29Å; N59-S61 PolarHBondContact OD1-N 2.98Å; N59-S61 VanDerWaalsContact OD1-N 3.08Å; N59-S61 PolarHBondContact OD1-OG 3.48Å; S61-K64 PolarHBondContact O-N 3.26Å; S61-F65 PolarHBondContact O-N 3.06Å
62L88.1Confident77.4Confident47 Ų4798.6 Ų98.625%0.24650%0.501CS..Hα-helixtrans-63.3-43.7174.6178.662.5000111.3N59 K64 F65 L66 T98N59-L62 HydrophobicContact CB-CB 3.96Å; N59-L62 WeakPolarHBondContact O-CB 3.24Å; N59-L62 PolarHBondContact O-N 2.86Å; N59-L62 VanDerWaalsContact O-N 3.09Å; N59-L62 PolarHBondContact OD1-N 2.9Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.35Å; L62-F65 HydrophobicContact CD1-CD1 4.38Å; L62-F65 CarbonylContact O-C 3.57Å; L62-F65 WeakPolarHBondContact O-CA 3.17Å; L62-F65 WeakPolarHBondContact O-CB 3.25Å; L62-F65 PolarHBondContact O-N 3.5Å; L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.33Å; L62-L66 HydrophobicContact CD1-CG 3.91Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 2.97Å; L62-T98 HydrophobicContact CD2-CG2 3.93Å
63K86.3Confident79.4Confident86 Ų8695.2 Ų95.237%0.37449%0.486SS..Hα-helixtrans-56.9-40.2175.4-169.1-167.5-164.81780112.5V58 N59 E60 N67V58-K63 HydrophobicContact CB-CD 4.42Å; V58-K63 HydrophobicContact CG1-CB 4.23Å; V58-K63 HydrophobicContact CG1-CD 3.89Å; V58-K63 HydrophobicContact CG1-CG 4.15Å; N59-K63 WeakPolarHBondContact O-CB 3.27Å; N59-K63 PolarHBondContact O-N 3.04Å; E60-K63 VanDerWaalsContact OE1-CD 3.25Å; E60-K63 WeakPolarHBondContact OE1-CD 3.5Å; E60-K63 IonicContact OE1-NZ 2.89Å; E60-K63 PolarHBondContact OE1-NZ 3.23Å; E60-K63 WeakPolarHBondContact OE2-CD 3.37Å; E60-K63 IonicContact OE2-NZ 3.28Å; K63-N67 PolarHBondContact O-N 3.47Å; K63-N67 PolarHBondContact O-ND2 3.04Å
64K89.9Confident81.4Confident147 Ų14790.4 Ų90.464%0.63946%0.463SS*.Hα-helixtrans-66.9-42.2173.7-72.9166-171.5173.40111.4E60 S61 L62 N67E60-K64 WeakPolarHBondContact O-CD 3.19Å; E60-K64 VanDerWaalsContact O-CG 3.22Å; E60-K64 WeakPolarHBondContact O-CG 3.35Å; E60-K64 PolarHBondContact O-N 3.32Å; S61-K64 PolarHBondContact O-N 3.26Å; L62-K64 VanDerWaalsContact C-N 3.29Å; L62-K64 PolarHBondContact O-N 3.35Å; K64-N67 PolarHBondContact O-N 2.8Å
65F91.3Very high83.4Confident93 Ų9384.5 Ų84.541%0.40844%0.439SS..Hα-helixtrans-62.1-50.1176.4-177.9-106.9000112.3S61 L62 N67 T68 G71 V74S61-F65 PolarHBondContact O-N 3.06Å; L62-F65 HydrophobicContact CD1-CD1 4.38Å; L62-F65 CarbonylContact O-C 3.57Å; L62-F65 WeakPolarHBondContact O-CA 3.17Å; L62-F65 WeakPolarHBondContact O-CB 3.25Å; L62-F65 PolarHBondContact O-N 3.5Å; F65-N67 PolarHBondContact O-N 3.06Å; F65-N67 VanDerWaalsContact O-N 3.16Å; F65-T68 WeakPolarHBondContact O-CB 3.2Å; F65-T68 PolarHBondContact O-N 3.24Å; F65-T68 PolarHBondContact O-OG1 2.9Å; F65-G71 VanDerWaalsContact CZ-CA 3.48Å; F65-V74 HydrophobicContact CE1-CB 4.22Å; F65-V74 HydrophobicContact CE1-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CB 4.13Å; F65-V74 HydrophobicContact CZ-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CG2 4.4Å
66L89.7Confident85.4Confident19 Ų1978.3 Ų78.310%0.09940%0.401CS..Hα-helixtrans-65-13.9177-65.8178000114L62 T68 R72 A75 T98 T100L62-L66 HydrophobicContact CD1-CD1 4.06Å; L62-L66 HydrophobicContact CD1-CD2 4.33Å; L62-L66 HydrophobicContact CD1-CG 3.91Å; L62-L66 HydrophobicContact CD2-CD1 4.39Å; L62-L66 HydrophobicContact CG-CD1 3.83Å; L62-L66 HydrophobicContact CG-CG 4.11Å; L62-L66 WeakPolarHBondContact O-CB 3.33Å; L62-L66 WeakPolarHBondContact O-CG 3.17Å; L62-L66 PolarHBondContact O-N 2.97Å; L66-T68 VanDerWaalsContact C-N 3.32Å; L66-R72 WeakPolarHBondContact O-CG 3.34Å; L66-R72 PolarHBondContact O-NE 3.26Å; L66-R72 PolarHBondContact O-NH1 2.84Å; L66-R72 PolarHBondContact O-NH2 3.26Å; L66-A75 HydrophobicContact CD2-CB 3.39Å; L66-T98 WeakPolarHBondContact CD1-O 3.38Å; L66-T100 HydrophobicContact CD1-CG2 3.89Å
67N88.8Confident87.1Confident108 Ų10875.4 Ų75.458%0.57838%0.382SS*.Hα-helixtrans-76.6-21.1170.3-85.3-54.8000112.8K63 K64 F65 R72K63-N67 PolarHBondContact O-N 3.47Å; K63-N67 PolarHBondContact O-ND2 3.04Å; K64-N67 PolarHBondContact O-N 2.8Å; F65-N67 PolarHBondContact O-N 3.06Å; F65-N67 VanDerWaalsContact O-N 3.16Å; N67-R72 PolarHBondContact O-NH2 2.88Å
68T91.8Very high88.8Confident66 Ų6669.6 Ų69.641%0.40535%0.353SS..SBendtrans-76.5159.1172.874.60000111.4F65 L66 G71 R72F65-T68 WeakPolarHBondContact O-CB 3.2Å; F65-T68 PolarHBondContact O-N 3.24Å; F65-T68 PolarHBondContact O-OG1 2.9Å; L66-T68 VanDerWaalsContact C-N 3.32Å; T68-G71 WeakPolarHBondContact OG1-CA 3.34Å; T68-G71 PolarHBondContact OG1-N 3.31Å; T68-R72 PolarHBondContact O-N 3.18Å
69K90.3Very high90.1Very high182 Ų18268 Ų6879%0.79134%0.344SS*.Hα-helixtrans-68.4-50.4175.2-68.3-174176.8-174.70110.9G71 R72 L73K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 3.35Å; K69-R72 PolarHBondContact O-N 2.97Å; K69-L73 PolarHBondContact O-N 3.35Å
70D89.9Confident90.7Very high121 Ų12164.3 Ų64.365%0.64732%0.324SS*.Hα-helixtrans-61.8-35.8-178.7-51.4-6.3000111.3L73 V74D70-L73 WeakPolarHBondContact O-CB 3.47Å; D70-L73 PolarHBondContact O-N 2.89Å; D70-V74 WeakPolarHBondContact O-CG2 3.44Å; D70-V74 PolarHBondContact O-N 3.41Å
71G91.1Very high91.2Very high0 Ų063.5 Ų63.50%032%0.32CS..Hα-helixtrans-69.1-36.6176.400000114.3F65 T68 K69 A75F65-G71 VanDerWaalsContact CZ-CA 3.48Å; T68-G71 WeakPolarHBondContact OG1-CA 3.34Å; T68-G71 PolarHBondContact OG1-N 3.31Å; K69-G71 VanDerWaalsContact C-N 3.25Å; K69-G71 PolarHBondContact O-N 3.35Å; G71-A75 WeakPolarHBondContact O-CB 3.23Å; G71-A75 PolarHBondContact O-N 3.26Å
72R90.6Very high91.5Very high101 Ų10160.3 Ų60.338%0.38130%0.296SS..Hα-helixtrans-63.1-49.8167.9-68.2176.7-134.6-97.8-4.1110.4L66 N67 T68 K69 V74 A75 S76L66-R72 WeakPolarHBondContact O-CG 3.34Å; L66-R72 PolarHBondContact O-NE 3.26Å; L66-R72 PolarHBondContact O-NH1 2.84Å; L66-R72 PolarHBondContact O-NH2 3.26Å; N67-R72 PolarHBondContact O-NH2 2.88Å; T68-R72 PolarHBondContact O-N 3.18Å; K69-R72 PolarHBondContact O-N 2.97Å; R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.38Å; R72-A75 PolarHBondContact O-N 2.88Å; R72-S76 WeakPolarHBondContact O-CB 3.36Å; R72-S76 PolarHBondContact O-N 2.97Å; R72-S76 PolarHBondContact O-OG 2.95Å
73L91.4Very high91.7Very high42 Ų4263.9 Ų63.922%0.2231%0.312CS..Hα-helixtrans-54.6-42.2179.8-177.361.9000112.2K69 D70 L77 L110 D113 L114K69-L73 PolarHBondContact O-N 3.35Å; D70-L73 WeakPolarHBondContact O-CB 3.47Å; D70-L73 PolarHBondContact O-N 2.89Å; L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.13Å; L73-L110 HydrophobicContact CD1-CD2 3.67Å; L73-D113 HydrophobicContact CD1-CB 4.48Å; L73-L114 HydrophobicContact CD1-CD1 4.44Å; L73-L114 HydrophobicContact CD1-CD2 4.28Å; L73-L114 HydrophobicContact CD1-CG 4.16Å; L73-L114 HydrophobicContact CD2-CD2 3.96Å; L73-L114 HydrophobicContact CG-CD2 4.39Å
74V93.3Very high92Very high73 Ų7363.1 Ų63.144%0.44231%0.308SS..Hα-helixtrans-65.5-48174168.90000112F65 D70 R72 S76 L77 V78F65-V74 HydrophobicContact CE1-CB 4.22Å; F65-V74 HydrophobicContact CE1-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CB 4.13Å; F65-V74 HydrophobicContact CZ-CG1 4.22Å; F65-V74 HydrophobicContact CZ-CG2 4.4Å; D70-V74 WeakPolarHBondContact O-CG2 3.44Å; D70-V74 PolarHBondContact O-N 3.41Å; R72-V74 VanDerWaalsContact C-N 3.27Å; R72-V74 PolarHBondContact O-N 3.38Å; V74-S76 PolarHBondContact O-N 3.33Å; V74-L77 PolarHBondContact O-N 3.12Å; V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 3.49Å
75A92.6Very high92.2Very high9 Ų961.1 Ų61.17%0.07430%0.3CS..Hα-helixtrans-64.1-40.2-179.900000112.5L66 G71 R72 V78 A79 L104L66-A75 HydrophobicContact CD2-CB 3.39Å; G71-A75 WeakPolarHBondContact O-CB 3.23Å; G71-A75 PolarHBondContact O-N 3.26Å; R72-A75 PolarHBondContact O-N 2.88Å; A75-V78 PolarHBondContact O-N 3.46Å; A75-A79 PolarHBondContact O-N 3.28Å; A75-L104 HydrophobicContact CB-CD2 4.2Å
76S92.4Very high92.2Very high1 Ų162.5 Ų62.51%0.00731%0.311CS..Hα-helixtrans-68.5-36.2176.4-58.50000112.1R72 V74 V78 A79 E80 L104 E105 L110R72-S76 WeakPolarHBondContact O-CB 3.36Å; R72-S76 PolarHBondContact O-N 2.97Å; R72-S76 PolarHBondContact O-OG 2.95Å; V74-S76 PolarHBondContact O-N 3.33Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 2.93Å; S76-A79 PolarHBondContact O-N 2.74Å; S76-E80 WeakPolarHBondContact O-CB 3.41Å; S76-E80 PolarHBondContact O-N 3.24Å; S76-L104 WeakPolarHBondContact OG-CB 3.46Å; S76-L104 WeakPolarHBondContact OG-CD2 3.5Å; S76-E105 WeakPolarHBondContact CB-OE2 3.38Å; S76-E105 PolarHBondContact OG-N 2.86Å; S76-E105 PolarHBondContact OG-OE2 3.05Å; S76-L110 VanDerWaalsContact CB-CD2 3.45Å; S76-L110 WeakPolarHBondContact O-CD1 3.47Å
77L93.8Very high92.2Very high12 Ų1264.8 Ų64.86%0.06332%0.324CS..Hα-helixtrans-62.1-38169-85172000112.9L73 V74 F81 L114 L127 V131L73-L77 WeakPolarHBondContact O-CB 3.26Å; L73-L77 VanDerWaalsContact O-CG 3.31Å; L73-L77 WeakPolarHBondContact O-CG 3.45Å; L73-L77 PolarHBondContact O-N 3.13Å; V74-L77 PolarHBondContact O-N 3.12Å; L77-F81 WeakPolarHBondContact O-CB 3.21Å; L77-F81 PolarHBondContact O-N 2.93Å; L77-L114 HydrophobicContact CD1-CD1 4.11Å; L77-L114 HydrophobicContact CD2-CD1 3.8Å; L77-L114 HydrophobicContact CG-CD1 4.25Å; L77-L127 HydrophobicContact CD2-CB 3.67Å; L77-V131 HydrophobicContact CD1-CG2 4.26Å; L77-V131 HydrophobicContact CD2-CG2 4.49Å
78V94.7Very high92.1Very high54 Ų5464.1 Ų64.133%0.32732%0.32SS..Hα-helixtrans-68.1-44.1174.4172.40000110.7V74 A75 S76 E80 F81 L82 F94V74-V78 WeakPolarHBondContact O-CG2 3.28Å; V74-V78 PolarHBondContact O-N 3.49Å; A75-V78 PolarHBondContact O-N 3.46Å; S76-V78 VanDerWaalsContact C-N 3.34Å; S76-V78 PolarHBondContact O-N 2.93Å; V78-E80 PolarHBondContact O-N 3.46Å; V78-F81 WeakPolarHBondContact O-CB 3.34Å; V78-F81 PolarHBondContact O-N 2.67Å; V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.7Å; V78-F94 HydrophobicContact CB-CZ 4.21Å; V78-F94 HydrophobicContact CG1-CE2 3.86Å; V78-F94 HydrophobicContact CG1-CZ 3.81Å
79A92.4Very high91.9Very high10 Ų1064.4 Ų64.48%0.08332%0.316CS..Hα-helixtrans-62.8-40.8176.400000112.7A75 S76 L82 Q83 L91 F94 L104A75-A79 PolarHBondContact O-N 3.28Å; S76-A79 PolarHBondContact O-N 2.74Å; A79-L82 PolarHBondContact O-N 2.88Å; A79-Q83 WeakPolarHBondContact O-CB 3.39Å; A79-Q83 PolarHBondContact O-N 3.01Å; A79-L91 HydrophobicContact CB-CD1 4.29Å; A79-F94 HydrophobicContact CB-CE1 4.06Å; A79-L104 HydrophobicContact CB-CB 4.48Å; A79-L104 HydrophobicContact CB-CD1 3.53Å
80E94Very high91.8Very high8 Ų859 Ų594%0.03730%0.298CS..Hα-helixtrans-62.6-41.4174.7-168.5-80.8150.200111.4S76 V78 Q83 F84 R107 L110 P126 L127S76-E80 WeakPolarHBondContact O-CB 3.41Å; S76-E80 PolarHBondContact O-N 3.24Å; V78-E80 PolarHBondContact O-N 3.46Å; E80-Q83 PolarHBondContact O-N 3.37Å; E80-F84 VanDerWaalsContact O-CB 3.28Å; E80-F84 WeakPolarHBondContact O-CB 3.29Å; E80-F84 PolarHBondContact O-N 3.35Å; E80-R107 HydrophobicContact CG-CB 3.94Å; E80-R107 HydrophobicContact CG-CG 3.91Å; E80-R107 WeakPolarHBondContact OE1-CD 3.2Å; E80-R107 IonicContact OE1-CZ 3.25Å; E80-R107 IonicContact OE1-NE 3.66Å; E80-R107 IonicContact OE1-NH1 3.81Å; E80-R107 PolarHBondContact OE1-NH1 3.28Å; E80-L110 HydrophobicContact CB-CD1 3.93Å; E80-L110 HydrophobicContact CG-CD1 4.33Å; E80-P126 WeakPolarHBondContact OE2-CA 3.36Å; E80-L127 HydrophobicContact CG-CD1 4.34Å; E80-L127 HydrophobicContact CG-CG 4.46Å; E80-L127 PolarHBondContact OE2-N 3.19Å
81F94.9Very high91.7Very high73 Ų7354.4 Ų54.432%0.3227%0.273SS..Hα-helixtrans-60.2-45.6172.8173.8-81.6000112.2L77 V78 Q83 F84 F85 L87 P126 L128L77-F81 WeakPolarHBondContact O-CB 3.21Å; L77-F81 PolarHBondContact O-N 2.93Å; V78-F81 WeakPolarHBondContact O-CB 3.34Å; V78-F81 PolarHBondContact O-N 2.67Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 2.87Å; F81-F84 PolarHBondContact O-N 2.93Å; F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 HydrophobicContact CD2-CD2 4.11Å; F81-F85 AromaticContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 4.05Å; F81-F85 HydrophobicContact CE1-CE2 4.49Å; F81-F85 AromaticContact CE2-CD2 3.83Å; F81-F85 HydrophobicContact CE2-CD2 3.83Å; F81-F85 AromaticContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CE2-CE2 3.45Å; F81-F85 VanDerWaalsContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CG-CD2 4.36Å; F81-F85 AromaticContact CZ-CD2 3.78Å; F81-F85 HydrophobicContact CZ-CD2 3.78Å; F81-F85 AromaticContact CZ-CE2 3.78Å; F81-F85 HydrophobicContact CZ-CE2 3.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.26Å; F81-F85 PolarHBondContact O-N 3.02Å; F81-L87 HydrophobicContact CE1-CD1 4.48Å; F81-P126 HydrophobicContact CB-CB 4.33Å; F81-P126 HydrophobicContact CD2-CB 3.99Å; F81-P126 HydrophobicContact CD2-CG 3.81Å; F81-P126 HydrophobicContact CE2-CG 4.33Å; F81-L128 HydrophobicContact CD2-CD2 4.28Å
82L93.8Very high91.4Very high15 Ų1555.8 Ų55.88%0.07929%0.285CS..Hα-helixtrans-62.1-42.3177.1-66.4178.4000111.3V78 A79 N86 L87 T90 L91 F94V78-L82 WeakPolarHBondContact O-CG 3.3Å; V78-L82 PolarHBondContact O-N 2.7Å; A79-L82 PolarHBondContact O-N 2.88Å; L82-N86 PolarHBondContact O-N 3Å; L82-L87 HydrophobicContact CB-CB 4.35Å; L82-L87 HydrophobicContact CD2-CB 4.1Å; L82-L87 HydrophobicContact CD2-CD1 3.69Å; L82-L87 WeakPolarHBondContact O-CB 3.33Å; L82-L87 PolarHBondContact O-N 3.13Å; L82-T90 HydrophobicContact CD1-CG2 4.09Å; L82-T90 HydrophobicContact CD2-CG2 3.86Å; L82-L91 HydrophobicContact CB-CB 4.48Å; L82-L91 HydrophobicContact CB-CD1 4.41Å; L82-L91 HydrophobicContact CD1-CD1 4.35Å; L82-F94 HydrophobicContact CD1-CB 4.07Å; L82-F94 HydrophobicContact CD1-CD1 4.27Å; L82-F94 HydrophobicContact CD1-CD2 4.33Å; L82-F94 HydrophobicContact CD1-CG 3.98Å
83Q92.1Very high91.1Very high122 Ų12252.6 Ų52.657%0.5728%0.277SS*.Hα-helixtrans-67.1-41.8178.2-170.9176.127.500112.2A79 E80 F81 F85 N86 L91A79-Q83 WeakPolarHBondContact O-CB 3.39Å; A79-Q83 PolarHBondContact O-N 3.01Å; E80-Q83 PolarHBondContact O-N 3.37Å; F81-Q83 VanDerWaalsContact C-N 3.33Å; F81-Q83 PolarHBondContact O-N 2.87Å; Q83-F85 VanDerWaalsContact C-N 3.26Å; Q83-F85 PolarHBondContact O-N 3.46Å; Q83-N86 PolarHBondContact O-N 3.25Å; Q83-N86 VanDerWaalsContact O-N 3.15Å; Q83-L91 HydrophobicContact CB-CD2 4.44Å
84F93.1Very high91Very high69 Ų6952.5 Ų52.530%0.30327%0.274SS..Hα-helixtrans-61-34.3179.5-175.4-88000112.6E80 F81 G125 P126E80-F84 VanDerWaalsContact O-CB 3.28Å; E80-F84 WeakPolarHBondContact O-CB 3.29Å; E80-F84 PolarHBondContact O-N 3.35Å; F81-F84 PolarHBondContact O-N 2.93Å; F84-G125 VanDerWaalsContact CE2-C 3.44Å; F84-G125 WeakPolarHBondContact CE2-O 3.41Å; F84-G125 VanDerWaalsContact CZ-C 3.43Å; F84-P126 HydrophobicContact CB-CB 4.14Å; F84-P126 HydrophobicContact CD1-CB 4.18Å; F84-P126 HydrophobicContact CD1-CG 4.38Å; F84-P126 HydrophobicContact CG-CB 4.07Å
85F93.8Very high90.6Very high106 Ų10653.5 Ų53.547%0.46527%0.274SS..THydrogen-bonded Turntrans-96.611.9177.8-72.2-65.6000114.6F81 Q83 L87 P126F81-F85 HydrophobicContact CD1-CD2 4.35Å; F81-F85 HydrophobicContact CD2-CD2 4.11Å; F81-F85 AromaticContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CD2-CE2 3.89Å; F81-F85 HydrophobicContact CE1-CD2 4.05Å; F81-F85 HydrophobicContact CE1-CE2 4.49Å; F81-F85 AromaticContact CE2-CD2 3.83Å; F81-F85 HydrophobicContact CE2-CD2 3.83Å; F81-F85 AromaticContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CE2-CE2 3.45Å; F81-F85 VanDerWaalsContact CE2-CE2 3.45Å; F81-F85 HydrophobicContact CG-CD2 4.36Å; F81-F85 AromaticContact CZ-CD2 3.78Å; F81-F85 HydrophobicContact CZ-CD2 3.78Å; F81-F85 AromaticContact CZ-CE2 3.78Å; F81-F85 HydrophobicContact CZ-CE2 3.78Å; F81-F85 WeakPolarHBondContact O-CD2 3.26Å; F81-F85 PolarHBondContact O-N 3.02Å; Q83-F85 VanDerWaalsContact C-N 3.26Å; Q83-F85 PolarHBondContact O-N 3.46Å; F85-L87 HydrophobicContact CB-CD1 4.23Å; F85-L87 HydrophobicContact CB-CG 4Å; F85-L87 PolarHBondContact O-N 3.31Å; F85-P126 HydrophobicContact CE2-CG 3.94Å; F85-P126 HydrophobicContact CZ-CG 4.45Å
86N91.6Very high89.8Confident121 Ų12154 Ų5465%0.64728%0.277SS*.THydrogen-bonded Turntrans53.639.5-179.2-55.3111.5000113.3L82 Q83 D88L82-N86 PolarHBondContact O-N 3Å; Q83-N86 PolarHBondContact O-N 3.25Å; Q83-N86 VanDerWaalsContact O-N 3.15Å; N86-D88 PolarHBondContact O-N 3.38Å
87L89.9Confident89.3Confident68 Ų6860.3 Ų60.336%0.35631%0.306SS..  trans-82.852.3177.2-60.2178.3000110.5F81 L82 F85 F89 T90 L91F81-L87 HydrophobicContact CE1-CD1 4.48Å; L82-L87 HydrophobicContact CB-CB 4.35Å; L82-L87 HydrophobicContact CD2-CB 4.1Å; L82-L87 HydrophobicContact CD2-CD1 3.69Å; L82-L87 WeakPolarHBondContact O-CB 3.33Å; L82-L87 PolarHBondContact O-N 3.13Å; F85-L87 HydrophobicContact CB-CD1 4.23Å; F85-L87 HydrophobicContact CB-CG 4Å; F85-L87 PolarHBondContact O-N 3.31Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; L87-T90 WeakPolarHBondContact O-CA 3.36Å; L87-T90 WeakPolarHBondContact O-CB 3.33Å; L87-T90 PolarHBondContact O-N 3.27Å; L87-L91 PolarHBondContact O-N 3.36Å
88D86.8Confident88.7Confident94 Ų9460.4 Ų60.450%0.50331%0.307SS..Hα-helixtrans-60.1-39.1-165.7-58-34.4000112.5N86 L91 A92N86-D88 PolarHBondContact O-N 3.38Å; D88-L91 PolarHBondContact O-N 3.05Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 2.95Å
89F87Confident87.8Confident72 Ų7259.9 Ų59.932%0.31631%0.306SS..Hα-helixtrans-65.6-38.5175-54.7-61.3000112.7R32 A35 E36 L87 V93R32-F89 HydrophobicContact CG-CD2 3.82Å; R32-F89 HydrophobicContact CG-CE2 3.69Å; A35-F89 HydrophobicContact CB-CB 4.11Å; E36-F89 HydrophobicContact CB-CD1 3.76Å; E36-F89 HydrophobicContact CB-CE1 3.72Å; E36-F89 HydrophobicContact CB-CG 4.25Å; E36-F89 HydrophobicContact CB-CZ 4.17Å; E36-F89 HydrophobicContact CG-CD1 3.99Å; E36-F89 HydrophobicContact CG-CE1 3.51Å; E36-F89 HydrophobicContact CG-CZ 4.05Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.29Å; F89-V93 PolarHBondContact O-N 3.34Å
90T88.7Confident86.6Confident69 Ų6960.1 Ų60.142%0.42331%0.306SS..Hα-helixtrans-69.4-40.7175.7-52.60000110.3L82 L87 V93 F94L82-T90 HydrophobicContact CD1-CG2 4.09Å; L82-T90 HydrophobicContact CD2-CG2 3.86Å; L87-T90 WeakPolarHBondContact O-CA 3.36Å; L87-T90 WeakPolarHBondContact O-CB 3.33Å; L87-T90 PolarHBondContact O-N 3.27Å; T90-V93 PolarHBondContact O-N 3.43Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.21Å
91L88.8Confident84.9Confident23 Ų2365.7 Ų65.712%0.1234%0.336CS..Hα-helixtrans-63.9-40.2176.7-174.262000112A79 L82 Q83 L87 D88 V93 F94 Q95A79-L91 HydrophobicContact CB-CD1 4.29Å; L82-L91 HydrophobicContact CB-CB 4.48Å; L82-L91 HydrophobicContact CB-CD1 4.41Å; L82-L91 HydrophobicContact CD1-CD1 4.35Å; Q83-L91 HydrophobicContact CB-CD2 4.44Å; L87-L91 PolarHBondContact O-N 3.36Å; D88-L91 PolarHBondContact O-N 3.05Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 3Å; L91-F94 HydrophobicContact CD1-CD1 4.47Å; L91-F94 PolarHBondContact O-N 2.81Å; L91-Q95 HydrophobicContact CD1-CG 4.12Å; L91-Q95 HydrophobicContact CG-CG 4.46Å; L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.23Å
92A83.6Confident83.2Confident29 Ų2971.5 Ų71.524%0.2436%0.364CS..Hα-helixtrans-65.7-24.9177.100000114A39 L43 D88 P96A39-A92 HydrophobicContact CB-CB 3.9Å; L43-A92 HydrophobicContact CD1-CB 4.4Å; D88-A92 VanDerWaalsContact O-CB 3.31Å; D88-A92 WeakPolarHBondContact O-CB 3.33Å; D88-A92 PolarHBondContact O-N 2.95Å; A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 VanDerWaalsContact O-CG 3.24Å; A92-P96 WeakPolarHBondContact O-CG 3.3Å
93V85.5Confident81.9Confident35 Ų3573.3 Ų73.321%0.21239%0.386CS..Hα-helixtrans-88.2-38.8169.9178.70000111R38 A39 F89 T90 L91 P96 E97R38-V93 HydrophobicContact CB-CG2 4.19Å; A39-V93 HydrophobicContact CB-CG2 4.1Å; F89-V93 PolarHBondContact O-N 3.34Å; T90-V93 PolarHBondContact O-N 3.43Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 3Å; V93-P96 VanDerWaalsContact O-CD 3.27Å; V93-P96 WeakPolarHBondContact O-CD 3.22Å; V93-P96 WeakPolarHBondContact O-CG 3.36Å; V93-E97 WeakPolarHBondContact O-CB 3.4Å; V93-E97 PolarHBondContact O-N 2.93Å
94F87.4Confident81.2Confident39 Ų3969.6 Ų69.617%0.17137%0.37CS..Hα-helixtrans-63-45.5-177.1179.6-96.1000113.2V78 A79 L82 T90 L91 E97 T98 L104V78-F94 HydrophobicContact CB-CZ 4.21Å; V78-F94 HydrophobicContact CG1-CE2 3.86Å; V78-F94 HydrophobicContact CG1-CZ 3.81Å; A79-F94 HydrophobicContact CB-CE1 4.06Å; L82-F94 HydrophobicContact CD1-CB 4.07Å; L82-F94 HydrophobicContact CD1-CD1 4.27Å; L82-F94 HydrophobicContact CD1-CD2 4.33Å; L82-F94 HydrophobicContact CD1-CG 3.98Å; T90-F94 WeakPolarHBondContact O-CB 3.4Å; T90-F94 PolarHBondContact O-N 3.21Å; L91-F94 HydrophobicContact CD1-CD1 4.47Å; L91-F94 PolarHBondContact O-N 2.81Å; F94-E97 PolarHBondContact O-N 3.3Å; F94-T98 HydrophobicContact CD1-CG2 4.28Å; F94-T98 HydrophobicContact CD2-CG2 3.86Å; F94-T98 HydrophobicContact CE1-CG2 4.07Å; F94-T98 HydrophobicContact CE2-CG2 3.64Å; F94-T98 HydrophobicContact CG-CG2 4.19Å; F94-T98 HydrophobicContact CZ-CG2 3.76Å; F94-T98 WeakPolarHBondContact O-CB 3.36Å; F94-T98 VanDerWaalsContact O-CG2 3.25Å; F94-T98 WeakPolarHBondContact O-CG2 3.25Å; F94-T98 PolarHBondContact O-N 3.33Å; F94-T98 PolarHBondContact O-OG1 2.84Å; F94-L104 HydrophobicContact CE1-CD1 3.88Å
95Q84.9Confident80.8Confident95 Ų9569.8 Ų69.844%0.44437%0.372SS..Hα-helixtrans-57.4-49.8-179.8-73.4-179.1-8.200113.3L91 T98 S99 T100L91-Q95 HydrophobicContact CD1-CG 4.12Å; L91-Q95 HydrophobicContact CG-CG 4.46Å; L91-Q95 WeakPolarHBondContact O-CG 3.45Å; L91-Q95 PolarHBondContact O-N 3.23Å; Q95-T98 PolarHBondContact O-OG1 3.46Å; Q95-S99 PolarHBondContact O-N 2.68Å; Q95-T100 PolarHBondContact O-N 2.81Å; Q95-T100 PolarHBondContact O-OG1 3.31Å
96P77Confident80.3Confident19 Ų1966 Ų6612%0.12336%0.363CS..Hα-helixtrans-73.7-38.7175.823.8-31.5000114.1F42 A92 V93 T98 S99F42-P96 HydrophobicContact CD1-CB 3.67Å; F42-P96 HydrophobicContact CD1-CG 3.51Å; F42-P96 HydrophobicContact CD2-CB 4.48Å; F42-P96 HydrophobicContact CD2-CG 4.38Å; F42-P96 HydrophobicContact CE1-CB 3.1Å; F42-P96 HydrophobicContact CE1-CG 3.54Å; F42-P96 HydrophobicContact CE2-CB 3.99Å; F42-P96 HydrophobicContact CE2-CG 4.37Å; F42-P96 HydrophobicContact CG-CB 4.37Å; F42-P96 HydrophobicContact CG-CG 4Å; F42-P96 HydrophobicContact CZ-CB 3.3Å; F42-P96 HydrophobicContact CZ-CG 4Å; A92-P96 WeakPolarHBondContact O-CD 3.26Å; A92-P96 VanDerWaalsContact O-CG 3.24Å; A92-P96 WeakPolarHBondContact O-CG 3.3Å; V93-P96 VanDerWaalsContact O-CD 3.27Å; V93-P96 WeakPolarHBondContact O-CD 3.22Å; V93-P96 WeakPolarHBondContact O-CG 3.36Å; P96-T98 VanDerWaalsContact C-N 3.25Å; P96-T98 PolarHBondContact O-N 2.94Å; P96-S99 WeakPolarHBondContact O-CA 3.48Å; P96-S99 PolarHBondContact O-N 3Å
97E81Confident80.1Confident134 Ų13462.4 Ų62.463%0.62634%0.341SS*.Hα-helixtrans-60.1-37.7178.1-176.1178176.900111.6V93 F94 S99V93-E97 WeakPolarHBondContact O-CB 3.4Å; V93-E97 PolarHBondContact O-N 2.93Å; F94-E97 PolarHBondContact O-N 3.3Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.32Å
98T81.6Confident80Confident13 Ų1364.3 Ų64.38%0.0835%0.348CS..THydrogen-bonded Turntrans-81.3-5.2173.861.10000113.7L62 L66 F94 Q95 P96 T100L62-T98 HydrophobicContact CD2-CG2 3.93Å; L66-T98 WeakPolarHBondContact CD1-O 3.38Å; F94-T98 HydrophobicContact CD1-CG2 4.28Å; F94-T98 HydrophobicContact CD2-CG2 3.86Å; F94-T98 HydrophobicContact CE1-CG2 4.07Å; F94-T98 HydrophobicContact CE2-CG2 3.64Å; F94-T98 HydrophobicContact CG-CG2 4.19Å; F94-T98 HydrophobicContact CZ-CG2 3.76Å; F94-T98 WeakPolarHBondContact O-CB 3.36Å; F94-T98 VanDerWaalsContact O-CG2 3.25Å; F94-T98 WeakPolarHBondContact O-CG2 3.25Å; F94-T98 PolarHBondContact O-N 3.33Å; F94-T98 PolarHBondContact O-OG1 2.84Å; Q95-T98 PolarHBondContact O-OG1 3.46Å; P96-T98 VanDerWaalsContact C-N 3.25Å; P96-T98 PolarHBondContact O-N 2.94Å; T98-T100 PolarHBondContact O-N 3.23Å; T98-T100 WeakPolarHBondContact OG1-CG2 3.42Å; T98-T100 PolarHBondContact OG1-OG1 3.16Å; T98-T100 VanDerWaalsContact OG1-OG1 3.05Å
99S75.1Confident80.1Confident43 Ų4362 Ų6230%0.30134%0.336SS..THydrogen-bonded Turntrans54.929.9-172.6-58.40000113.7Q95 P96 E97 L101Q95-S99 PolarHBondContact O-N 2.68Å; P96-S99 WeakPolarHBondContact O-CA 3.48Å; P96-S99 PolarHBondContact O-N 3Å; E97-S99 VanDerWaalsContact C-N 3.28Å; E97-S99 PolarHBondContact O-N 3.32Å; S99-L101 PolarHBondContact O-N 2.9Å; S99-L101 VanDerWaalsContact O-N 3.13Å
100T68.6Low80.2Confident16 Ų1658.7 Ų58.710%0.09832%0.321CS..  trans-86.734.3-177.462.70000113L66 Q95 T98 Q102 G103 L104L66-T100 HydrophobicContact CD1-CG2 3.89Å; Q95-T100 PolarHBondContact O-N 2.81Å; Q95-T100 PolarHBondContact O-OG1 3.31Å; T98-T100 PolarHBondContact O-N 3.23Å; T98-T100 WeakPolarHBondContact OG1-CG2 3.42Å; T98-T100 PolarHBondContact OG1-OG1 3.16Å; T98-T100 VanDerWaalsContact OG1-OG1 3.05Å; T100-Q102 PolarHBondContact O-N 3.31Å; T100-G103 PolarHBondContact O-N 3.48Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 HydrophobicContact CG2-CD2 3.68Å; T100-L104 HydrophobicContact CG2-CG 4.03Å
101L57.9Low80.2Confident125 Ų12555.6 Ų55.665%0.65430%0.302SS*.THydrogen-bonded Turntrans-56.1-19.3178.5-88165.4000114.3S99 G103S99-L101 PolarHBondContact O-N 2.9Å; S99-L101 VanDerWaalsContact O-N 3.13Å; L101-G103 PolarHBondContact O-N 2.79Å
102Q59.8Low80.2Confident194 Ų19462.2 Ų62.291%0.90733%0.326SS*.THydrogen-bonded Turntrans-74.3-7174.9-146.372.376.900113.7T100T100-Q102 PolarHBondContact O-N 3.31Å
103G65.1Low80.4Confident54 Ų5466.3 Ų66.356%0.55734%0.343SS*.  trans90133.9-17500000112.5T100 L101T100-G103 PolarHBondContact O-N 3.48Å; L101-G103 PolarHBondContact O-N 2.79Å
104L78.4Confident80.4Confident43 Ų4366.8 Ų66.823%0.22535%0.345CS..PPolyproline II helixtrans-86.9155.6168.2-70.3173.6000109.8A75 S76 A79 F94 T100 G106A75-L104 HydrophobicContact CB-CD2 4.2Å; S76-L104 WeakPolarHBondContact OG-CB 3.46Å; S76-L104 WeakPolarHBondContact OG-CD2 3.5Å; A79-L104 HydrophobicContact CB-CB 4.48Å; A79-L104 HydrophobicContact CB-CD1 3.53Å; F94-L104 HydrophobicContact CE1-CD1 3.88Å; T100-L104 HydrophobicContact CG2-CD1 4.18Å; T100-L104 HydrophobicContact CG2-CD2 3.68Å; T100-L104 HydrophobicContact CG2-CG 4.03Å; L104-G106 PolarHBondContact O-N 3.32Å
105E83.8Confident80.2Confident73 Ų7367.2 Ų67.234%0.34136%0.36SS..PPolyproline II helixtrans-66.1133-174.2-63.882.6-168.700112.2S76 N109 L110S76-E105 WeakPolarHBondContact CB-OE2 3.38Å; S76-E105 PolarHBondContact OG-N 2.86Å; S76-E105 PolarHBondContact OG-OE2 3.05Å; E105-N109 HydrophobicContact CB-CB 4.4Å; E105-L110 HydrophobicContact CB-CD2 4Å; E105-L110 HydrophobicContact CB-CG 4.21Å; E105-L110 VanDerWaalsContact O-CD1 3.32Å; E105-L110 WeakPolarHBondContact O-CD1 3.43Å
106G83.9Confident80.2Confident28 Ų2863.1 Ų63.129%0.28934%0.341SS..PPolyproline II helixtrans-63.2154.3176.400000113.4L104 E108 N109 L110L104-G106 PolarHBondContact O-N 3.32Å; G106-E108 PolarHBondContact O-N 3.17Å; G106-E108 VanDerWaalsContact O-N 3.1Å; G106-N109 PolarHBondContact O-N 3.09Å; G106-L110 PolarHBondContact O-N 3.23Å; G106-L110 VanDerWaalsContact O-N 3.07Å
107R88.4Confident80.3Confident44 Ų4468.9 Ų68.917%0.16637%0.369CS..Hα-helixtrans-47.1-42.9-175.9-174-178.4165.9114.9-0.4113.1E80 N109 L110 A111 E118 T122 G125 L127E80-R107 HydrophobicContact CG-CB 3.94Å; E80-R107 HydrophobicContact CG-CG 3.91Å; E80-R107 WeakPolarHBondContact OE1-CD 3.2Å; E80-R107 IonicContact OE1-CZ 3.25Å; E80-R107 IonicContact OE1-NE 3.66Å; E80-R107 IonicContact OE1-NH1 3.81Å; E80-R107 PolarHBondContact OE1-NH1 3.28Å; R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.08Å; R107-L110 PolarHBondContact O-N 3.05Å; R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.3Å; R107-E118 IonicContact CZ-OE1 2.68Å; R107-E118 VanDerWaalsContact CZ-OE1 3.28Å; R107-E118 IonicContact NE-OE1 3.73Å; R107-E118 PolarHBondContact NE-OE1 3.21Å; R107-E118 IonicContact NH2-OE1 3.69Å; R107-E118 PolarHBondContact NH2-OE1 3.3Å; R107-T122 PolarHBondContact NH2-O 2.86Å; R107-G125 PolarHBondContact NH1-O 2.9Å; R107-G125 PolarHBondContact NH2-O 2.88Å; R107-L127 HydrophobicContact CB-CD1 4.46Å; R107-L127 HydrophobicContact CG-CD1 3.64Å; R107-L127 HydrophobicContact CG-CD2 4.35Å; R107-L127 HydrophobicContact CG-CG 3.9Å; R107-L127 WeakPolarHBondContact O-CD1 3.47Å
108E86.9Confident79.9Confident109 Ų10966.5 Ų66.551%0.50936%0.358SS..Hα-helixtrans-67.5-26.8-179.473.8-66.1161.200114.2G106 R112G106-E108 PolarHBondContact O-N 3.17Å; G106-E108 VanDerWaalsContact O-N 3.1Å; E108-R112 PolarHBondContact O-N 3.43Å
109N88.8Confident79.3Confident46 Ų4668.4 Ų68.425%0.24638%0.375CS..Hα-helixtrans-83.8-40.3174.8-56.3-60.6000110.5E105 G106 R107 A111 R112 D113E105-N109 HydrophobicContact CB-CB 4.4Å; G106-N109 PolarHBondContact O-N 3.09Å; R107-N109 VanDerWaalsContact C-N 3.31Å; R107-N109 PolarHBondContact O-N 3.08Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.09Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 PolarHBondContact O-N 2.84Å; N109-R112 VanDerWaalsContact O-N 3.16Å; N109-R112 PolarHBondContact OD1-NH1 3.44Å; N109-R112 PolarHBondContact OD1-NH2 3.39Å; N109-D113 PolarHBondContact O-N 3.38Å
110L89.9Confident78.5Confident1 Ų175.4 Ų75.41%0.00540%0.403CS..Hα-helixtrans-58.9-45.4172.3-64.3173.2000111.9L73 S76 E80 E105 G106 R107 R112 D113 L114 L127L73-L110 HydrophobicContact CD1-CD2 3.67Å; S76-L110 VanDerWaalsContact CB-CD2 3.45Å; S76-L110 WeakPolarHBondContact O-CD1 3.47Å; E80-L110 HydrophobicContact CB-CD1 3.93Å; E80-L110 HydrophobicContact CG-CD1 4.33Å; E105-L110 HydrophobicContact CB-CD2 4Å; E105-L110 HydrophobicContact CB-CG 4.21Å; E105-L110 VanDerWaalsContact O-CD1 3.32Å; E105-L110 WeakPolarHBondContact O-CD1 3.43Å; G106-L110 PolarHBondContact O-N 3.23Å; G106-L110 VanDerWaalsContact O-N 3.07Å; R107-L110 PolarHBondContact O-N 3.05Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.46Å; L110-D113 PolarHBondContact O-N 2.86Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.85Å; L110-L127 HydrophobicContact CB-CD1 3.54Å; L110-L127 HydrophobicContact CD1-CD1 4.36Å
111A88.8Confident78.2Confident4 Ų478.1 Ų78.13%0.03344%0.435CS..Hα-helixtrans-59.3-42.3175.600000111.3R107 N109 G115 I116 E118 L127R107-A111 WeakPolarHBondContact O-CB 3.36Å; R107-A111 PolarHBondContact O-N 3.3Å; N109-A111 VanDerWaalsContact C-N 3.35Å; N109-A111 PolarHBondContact O-N 3.09Å; A111-G115 PolarHBondContact O-N 3.27Å; A111-I116 HydrophobicContact CB-CB 4.2Å; A111-I116 WeakPolarHBondContact O-CA 3.37Å; A111-I116 PolarHBondContact O-N 3.5Å; A111-E118 HydrophobicContact CB-CG 3.97Å; A111-L127 HydrophobicContact CB-CD1 4.24Å; A111-L127 HydrophobicContact CB-CD2 4.14Å
112R88.9Confident78.6Confident163 Ų16373.1 Ų73.162%0.61541%0.41SS*.Hα-helixtrans-62.5-49.3176.4-169.8-172.3-54.9135.715.8112.1E108 N109 L110 L114 G115E108-R112 PolarHBondContact O-N 3.43Å; N109-R112 WeakPolarHBondContact O-CB 3.45Å; N109-R112 PolarHBondContact O-N 2.84Å; N109-R112 VanDerWaalsContact O-N 3.16Å; N109-R112 PolarHBondContact OD1-NH1 3.44Å; N109-R112 PolarHBondContact OD1-NH2 3.39Å; L110-R112 VanDerWaalsContact C-N 3.3Å; L110-R112 PolarHBondContact O-N 3.46Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.47Å; R112-G115 PolarHBondContact O-N 2.83Å
113D86.1Confident79Confident114 Ų11467.9 Ų67.961%0.6139%0.39SS*.Hα-helixtrans-67.1-30-176.8-75.55.8000112.2L73 N109 L110 G115L73-D113 HydrophobicContact CD1-CB 4.48Å; N109-D113 PolarHBondContact O-N 3.38Å; L110-D113 PolarHBondContact O-N 2.86Å; D113-G115 VanDerWaalsContact C-N 3.32Å
114L86.1Confident79.8Confident45 Ų4568.5 Ų68.524%0.23640%0.397CS..THydrogen-bonded Turntrans-84.7-0.8173.7-65.2164.6000113.8L73 L77 L110 R112 I116 V131 R134L73-L114 HydrophobicContact CD1-CD1 4.44Å; L73-L114 HydrophobicContact CD1-CD2 4.28Å; L73-L114 HydrophobicContact CD1-CG 4.16Å; L73-L114 HydrophobicContact CD2-CD2 3.96Å; L73-L114 HydrophobicContact CG-CD2 4.39Å; L77-L114 HydrophobicContact CD1-CD1 4.11Å; L77-L114 HydrophobicContact CD2-CD1 3.8Å; L77-L114 HydrophobicContact CG-CD1 4.25Å; L110-L114 WeakPolarHBondContact O-CB 3.48Å; L110-L114 WeakPolarHBondContact O-CD1 3.49Å; L110-L114 VanDerWaalsContact O-CG 3.24Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.85Å; R112-L114 VanDerWaalsContact C-N 3.28Å; R112-L114 PolarHBondContact O-N 3.47Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.8Å; L114-I116 HydrophobicContact CD1-CD1 3.85Å; L114-I116 HydrophobicContact CG-CD1 4.4Å; L114-I116 PolarHBondContact O-N 3.19Å; L114-V131 HydrophobicContact CD1-CG2 3.8Å; L114-V131 HydrophobicContact CD2-CG2 4.14Å; L114-R134 PolarHBondContact O-NH1 3.42Å; L114-R134 VanDerWaalsContact O-NH1 3.08Å
115G83.7Confident80.3Confident48 Ų4866.9 Ų66.950%0.49539%0.39SS..THydrogen-bonded Turntrans59.729.7-17400000113.3A111 R112 D113 R134A111-G115 PolarHBondContact O-N 3.27Å; R112-G115 PolarHBondContact O-N 2.83Å; D113-G115 VanDerWaalsContact C-N 3.32Å; G115-R134 VanDerWaalsContact C-NH1 3.29Å; G115-R134 PolarHBondContact O-NH1 3.33Å; G115-R134 PolarHBondContact O-NH2 3.47Å
116I84.1Confident80.7Confident10 Ų1063.8 Ų63.85%0.05138%0.377CS..  trans-84.4114.4176-63169000108.2A111 L114 E118 T122 L127 E130 V131A111-I116 HydrophobicContact CB-CB 4.2Å; A111-I116 WeakPolarHBondContact O-CA 3.37Å; A111-I116 PolarHBondContact O-N 3.5Å; L114-I116 HydrophobicContact CB-CD1 3.67Å; L114-I116 HydrophobicContact CB-CG1 3.8Å; L114-I116 HydrophobicContact CD1-CD1 3.85Å; L114-I116 HydrophobicContact CG-CD1 4.4Å; L114-I116 PolarHBondContact O-N 3.19Å; I116-E118 PolarHBondContact O-N 3.49Å; I116-T122 HydrophobicContact CG2-CG2 4.36Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG2-CD2 4.38Å; I116-E130 HydrophobicContact CB-CG 4.47Å; I116-E130 HydrophobicContact CD1-CB 4.11Å; I116-E130 HydrophobicContact CD1-CG 3.66Å; I116-E130 HydrophobicContact CG1-CG 3.8Å; I116-E130 HydrophobicContact CG2-CG 3.84Å; I116-V131 HydrophobicContact CD1-CG2 4.37Å
117I79.8Confident81Confident139 Ų13962.5 Ų62.571%0.71336%0.363SS*.  trans-79113.8168-58.8173000106A119I117-A119 PolarHBondContact O-N 2.83Å; I117-A119 VanDerWaalsContact O-N 3.14Å
118E72.8Confident81.3Confident84 Ų8463.4 Ų63.439%0.39337%0.371SS..  trans-69.6111.5175-66.1-143.6121.500110.1R107 A111 I116 T122R107-E118 IonicContact CZ-OE1 2.68Å; R107-E118 VanDerWaalsContact CZ-OE1 3.28Å; R107-E118 IonicContact NE-OE1 3.73Å; R107-E118 PolarHBondContact NE-OE1 3.21Å; R107-E118 IonicContact NH2-OE1 3.69Å; R107-E118 PolarHBondContact NH2-OE1 3.3Å; A111-E118 HydrophobicContact CB-CG 3.97Å; I116-E118 PolarHBondContact O-N 3.49Å; E118-T122 VanDerWaalsContact CA-OG1 3.3Å; E118-T122 WeakPolarHBondContact CA-OG1 3.33Å
119A69.4Low81.4Confident53 Ų5363.4 Ų63.444%0.43837%0.374SS..  trans-124172178.200000109.6I117 G121 T122 V123I117-A119 PolarHBondContact O-N 2.83Å; I117-A119 VanDerWaalsContact O-N 3.14Å; A119-G121 PolarHBondContact O-N 2.86Å; A119-T122 PolarHBondContact N-OG1 3.29Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 PolarHBondContact O-OG1 3.05Å; A119-V123 PolarHBondContact O-N 3.49Å
120E58.2Low81.5Confident190 Ų19061.9 Ų61.989%0.88837%0.366SS*.THydrogen-bonded Turntrans-58.5-19.8-177.4-68.4169.2143.700113.7V123E120-V123 WeakPolarHBondContact O-CG2 3.13Å
121G62.2Low81.5Confident74 Ų7463.5 Ų63.576%0.76338%0.375SS*.THydrogen-bonded Turntrans-84.1-19.6171.900000116.1A119A119-G121 PolarHBondContact O-N 2.86Å
122T64.6Low81.6Confident20 Ų2067.4 Ų67.412%0.12340%0.395CS..THydrogen-bonded Turntrans-98.7-21.9-178.461.20000113.1R107 I116 E118 A119 G124 E130R107-T122 PolarHBondContact NH2-O 2.86Å; I116-T122 HydrophobicContact CG2-CG2 4.36Å; E118-T122 VanDerWaalsContact CA-OG1 3.3Å; E118-T122 WeakPolarHBondContact CA-OG1 3.33Å; A119-T122 PolarHBondContact N-OG1 3.29Å; A119-T122 PolarHBondContact O-N 3.49Å; A119-T122 PolarHBondContact O-OG1 3.05Å; T122-G124 PolarHBondContact O-N 3.14Å; T122-E130 HydrophobicContact CG2-CG 4.33Å
123V70Confident81.5Confident83 Ų8364.7 Ų64.750%0.50339%0.385SS..THydrogen-bonded Turntrans-70.1-17.4175.6-62.40000113.1A119 E120 G125A119-V123 PolarHBondContact O-N 3.49Å; E120-V123 WeakPolarHBondContact O-CG2 3.13Å; V123-G125 VanDerWaalsContact C-N 3.28Å; V123-G125 PolarHBondContact O-N 2.87Å
124G81.4Confident81.5Confident68 Ų6863.5 Ų63.570%0.70137%0.371SS*.THydrogen-bonded Turntrans-80.44.2178.200000115.5T122T122-G124 PolarHBondContact O-N 3.14Å
125G87.8Confident81.5Confident8 Ų864.9 Ų64.98%0.08238%0.384CS..SBendtrans-155.2168.6-179.400000113.6F84 R107 V123F84-G125 VanDerWaalsContact CE2-C 3.44Å; F84-G125 WeakPolarHBondContact CE2-O 3.41Å; F84-G125 VanDerWaalsContact CZ-C 3.43Å; R107-G125 PolarHBondContact NH1-O 2.9Å; R107-G125 PolarHBondContact NH2-O 2.88Å; V123-G125 VanDerWaalsContact C-N 3.28Å; V123-G125 PolarHBondContact O-N 2.87Å
126P92.4Very high81.6Confident9 Ų968.6 Ų68.66%0.05839%0.388CS..  trans-67.4152.6172.532.4-37.5000110.2E80 F81 F84 F85 L128 L129E80-P126 WeakPolarHBondContact OE2-CA 3.36Å; F81-P126 HydrophobicContact CB-CB 4.33Å; F81-P126 HydrophobicContact CD2-CB 3.99Å; F81-P126 HydrophobicContact CD2-CG 3.81Å; F81-P126 HydrophobicContact CE2-CG 4.33Å; F84-P126 HydrophobicContact CB-CB 4.14Å; F84-P126 HydrophobicContact CD1-CB 4.18Å; F84-P126 HydrophobicContact CD1-CG 4.38Å; F84-P126 HydrophobicContact CG-CB 4.07Å; F85-P126 HydrophobicContact CE2-CG 3.94Å; F85-P126 HydrophobicContact CZ-CG 4.45Å; P126-L128 PolarHBondContact O-N 3.08Å; P126-L129 HydrophobicContact CG-CB 4.17Å; P126-L129 WeakPolarHBondContact O-CB 3.18Å; P126-L129 PolarHBondContact O-N 2.94Å
127L91.1Very high81.3Confident1 Ų172.9 Ų72.91%0.00541%0.408CS..Hα-helixtrans-60.2-30.5179.9-67.9-179.5000112.6L77 E80 R107 L110 A111 I116 L129 E130 V131L77-L127 HydrophobicContact CD2-CB 3.67Å; E80-L127 HydrophobicContact CG-CD1 4.34Å; E80-L127 HydrophobicContact CG-CG 4.46Å; E80-L127 PolarHBondContact OE2-N 3.19Å; R107-L127 HydrophobicContact CB-CD1 4.46Å; R107-L127 HydrophobicContact CG-CD1 3.64Å; R107-L127 HydrophobicContact CG-CD2 4.35Å; R107-L127 HydrophobicContact CG-CG 3.9Å; R107-L127 WeakPolarHBondContact O-CD1 3.47Å; L110-L127 HydrophobicContact CB-CD1 3.54Å; L110-L127 HydrophobicContact CD1-CD1 4.36Å; A111-L127 HydrophobicContact CB-CD1 4.24Å; A111-L127 HydrophobicContact CB-CD2 4.14Å; I116-L127 HydrophobicContact CD1-CD2 4.22Å; I116-L127 HydrophobicContact CG2-CD2 4.38Å; L127-L129 PolarHBondContact O-N 2.85Å; L127-E130 PolarHBondContact O-N 3.3Å; L127-V131 PolarHBondContact O-N 2.63Å
128L93.4Very high80.7Confident62 Ų6275 Ų7533%0.32541%0.412SS..Hα-helixtrans-57.6-33.2175.5-171.162000112.5F81 P126 V131 I132F81-L128 HydrophobicContact CD2-CD2 4.28Å; P126-L128 PolarHBondContact O-N 3.08Å; L128-V131 PolarHBondContact O-N 2.98Å; L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.44Å
129L90.8Very high80Confident109 Ų10978.7 Ų78.757%0.57143%0.429SS*.Hα-helixtrans-66.6-41.917517762.1000111.8P126 L127 I132 R133P126-L129 HydrophobicContact CG-CB 4.17Å; P126-L129 WeakPolarHBondContact O-CB 3.18Å; P126-L129 PolarHBondContact O-N 2.94Å; L127-L129 PolarHBondContact O-N 2.85Å; L129-I132 PolarHBondContact O-N 2.65Å; L129-R133 WeakPolarHBondContact O-CB 3.42Å; L129-R133 PolarHBondContact O-N 3.06Å
130E89.3Confident79.3Confident15 Ų1584.6 Ų84.67%0.0745%0.445CS..Hα-helixtrans-67.3-36.5178.5174.758.8-16500111.7I116 T122 L127 R133 R134I116-E130 HydrophobicContact CB-CG 4.47Å; I116-E130 HydrophobicContact CD1-CB 4.11Å; I116-E130 HydrophobicContact CD1-CG 3.66Å; I116-E130 HydrophobicContact CG1-CG 3.8Å; I116-E130 HydrophobicContact CG2-CG 3.84Å; T122-E130 HydrophobicContact CG2-CG 4.33Å; L127-E130 PolarHBondContact O-N 3.3Å; E130-R133 VanDerWaalsContact CD-NH2 3.3Å; E130-R133 PolarHBondContact O-N 2.85Å; E130-R133 IonicContact OE1-CZ 2.78Å; E130-R133 IonicContact OE1-NE 2.84Å; E130-R133 IonicContact OE1-NH2 2.74Å; E130-R133 PolarHBondContact OE1-NH2 3.43Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.25Å; E130-R133 IonicContact OE2-NE 3.77Å; E130-R133 PolarHBondContact OE2-NE 3.32Å; E130-R133 IonicContact OE2-NH2 3.05Å; E130-R133 PolarHBondContact OE2-NH2 3.2Å; E130-R134 WeakPolarHBondContact O-CB 3.31Å; E130-R134 VanDerWaalsContact O-CG 3.31Å; E130-R134 WeakPolarHBondContact O-CG 3.28Å; E130-R134 PolarHBondContact O-N 3.05Å; E130-R134 IonicContact OE1-CZ 2.63Å; E130-R134 IonicContact OE1-NE 2.64Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 3.55Å
131V90.4Very high78.3Confident34 Ų3477.7 Ų77.721%0.20643%0.425CS..Hα-helixtrans-58.3-50.8171.6174.40000110.8L77 L114 I116 L127 L128 R133 R134 C135L77-V131 HydrophobicContact CD1-CG2 4.26Å; L77-V131 HydrophobicContact CD2-CG2 4.49Å; L114-V131 HydrophobicContact CD1-CG2 3.8Å; L114-V131 HydrophobicContact CD2-CG2 4.14Å; I116-V131 HydrophobicContact CD1-CG2 4.37Å; L127-V131 PolarHBondContact O-N 2.63Å; L128-V131 PolarHBondContact O-N 2.98Å; V131-R133 PolarHBondContact O-N 2.9Å; V131-R134 PolarHBondContact O-N 3.17Å; V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 3.49Å; V131-C135 VanDerWaalsContact O-SG 3.35Å
132I90.1Very high77.5Confident86 Ų8679.8 Ų79.844%0.44143%0.425SS..Hα-helixtrans-62-42.4178.2-63.7-63.5000111.5L128 L129 R134 C135 Q136L128-I132 WeakPolarHBondContact O-CG1 3.3Å; L128-I132 PolarHBondContact O-N 3.44Å; L129-I132 PolarHBondContact O-N 2.65Å; I132-R134 VanDerWaalsContact C-N 3.33Å; I132-R134 PolarHBondContact O-N 3.23Å; I132-C135 PolarHBondContact O-N 3.02Å; I132-Q136 WeakPolarHBondContact O-CG 3.47Å; I132-Q136 PolarHBondContact O-N 3.44Å; I132-Q136 VanDerWaalsContact O-N 3.09Å
133R88.3Confident76.2Confident107 Ų10785.6 Ų85.640%0.40446%0.461SS..Hα-helixtrans-59-43.1177.4-168.3-172.770.994.215.2111.8L129 E130 V131 Q136 Q137L129-R133 WeakPolarHBondContact O-CB 3.42Å; L129-R133 PolarHBondContact O-N 3.06Å; E130-R133 VanDerWaalsContact CD-NH2 3.3Å; E130-R133 PolarHBondContact O-N 2.85Å; E130-R133 IonicContact OE1-CZ 2.78Å; E130-R133 IonicContact OE1-NE 2.84Å; E130-R133 IonicContact OE1-NH2 2.74Å; E130-R133 PolarHBondContact OE1-NH2 3.43Å; E130-R133 IonicContact OE2-CZ 2.71Å; E130-R133 VanDerWaalsContact OE2-CZ 3.25Å; E130-R133 IonicContact OE2-NE 3.77Å; E130-R133 PolarHBondContact OE2-NE 3.32Å; E130-R133 IonicContact OE2-NH2 3.05Å; E130-R133 PolarHBondContact OE2-NH2 3.2Å; V131-R133 PolarHBondContact O-N 2.9Å; R133-Q136 PolarHBondContact O-N 3.34Å; R133-Q137 WeakPolarHBondContact O-CG 3.4Å; R133-Q137 PolarHBondContact O-N 2.92Å; R133-Q137 VanDerWaalsContact O-N 3.12Å
134R86.3Confident74.6Confident88 Ų8887.2 Ų87.233%0.33247%0.471SS..Hα-helixtrans-65.3-42.2177-74.6173.7172-138.3-12.1112.4L114 G115 E130 V131 I132 Q136 Q137 K138L114-R134 PolarHBondContact O-NH1 3.42Å; L114-R134 VanDerWaalsContact O-NH1 3.08Å; G115-R134 VanDerWaalsContact C-NH1 3.29Å; G115-R134 PolarHBondContact O-NH1 3.33Å; G115-R134 PolarHBondContact O-NH2 3.47Å; E130-R134 WeakPolarHBondContact O-CB 3.31Å; E130-R134 VanDerWaalsContact O-CG 3.31Å; E130-R134 WeakPolarHBondContact O-CG 3.28Å; E130-R134 PolarHBondContact O-N 3.05Å; E130-R134 IonicContact OE1-CZ 2.63Å; E130-R134 IonicContact OE1-NE 2.64Å; E130-R134 PolarHBondContact OE1-NE 3.24Å; E130-R134 IonicContact OE1-NH2 3.55Å; V131-R134 PolarHBondContact O-N 3.17Å; I132-R134 VanDerWaalsContact C-N 3.33Å; I132-R134 PolarHBondContact O-N 3.23Å; R134-Q136 PolarHBondContact O-N 3.24Å; R134-Q137 PolarHBondContact O-N 2.91Å; R134-K138 PolarHBondContact O-N 2.98Å
135C85.3Confident72.3Confident74 Ų7487.6 Ų87.650%0.548%0.475SS..Hα-helixtrans-58.9-46.1175.4-68.50000111.8V131 I132 Q137 K138 E139V131-C135 PolarHBondContact O-N 2.92Å; V131-C135 PolarHBondContact O-SG 3.49Å; V131-C135 VanDerWaalsContact O-SG 3.35Å; I132-C135 PolarHBondContact O-N 3.02Å; C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 3.17Å; C135-K138 PolarHBondContact O-N 2.73Å; C135-E139 PolarHBondContact O-N 2.96Å
136Q86.1Confident69.9Low126 Ų12695.6 Ų95.659%0.58951%0.511SS*.Hα-helixtrans-66-29177.7-671765.300113.8I132 R133 R134 K140I132-Q136 WeakPolarHBondContact O-CG 3.47Å; I132-Q136 PolarHBondContact O-N 3.44Å; I132-Q136 VanDerWaalsContact O-N 3.09Å; R133-Q136 PolarHBondContact O-N 3.34Å; R134-Q136 PolarHBondContact O-N 3.24Å; Q136-K140 PolarHBondContact O-N 3.31Å
137Q78.6Confident67Low100 Ų100104.8 Ų104.847%0.46755%0.55SS..Hα-helixtrans-79.2-26.6175.7-73.6172.311.700112.8R133 R134 C135 K140R133-Q137 WeakPolarHBondContact O-CG 3.4Å; R133-Q137 PolarHBondContact O-N 2.92Å; R133-Q137 VanDerWaalsContact O-N 3.12Å; R134-Q137 PolarHBondContact O-N 2.91Å; C135-Q137 VanDerWaalsContact C-N 3.3Å; C135-Q137 PolarHBondContact O-N 3.17Å; Q137-K140 CarbonylContact O-C 3.45Å; Q137-K140 PolarHBondContact O-N 3.09Å
138K66.6Low64.5Low184 Ų184108.9 Ų108.980%0.858%0.583SS**Hα-helixtrans-71.1-31.5175.1-169.4177.3174.3-173.50112.5R134 C135R134-K138 PolarHBondContact O-N 2.98Å; C135-K138 PolarHBondContact O-N 2.73Å
139E57.7Low61.5Low161 Ų161112.7 Ų112.775%0.75260%0.604SS**Hα-helixtrans-68.7-37.9171.9-72.2-89.2114.100112.4C135 G141C135-E139 PolarHBondContact O-N 2.96Å; E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.64Å
140K54.3Low58.7Low177 Ų177114.8 Ų114.877%0.7762%0.616SS**SBendtrans-83.280.2171.6-70.2-177.7179.5177.20109.5Q136 Q137Q136-K140 PolarHBondContact O-N 3.31Å; Q137-K140 CarbonylContact O-C 3.45Å; Q137-K140 PolarHBondContact O-N 3.09Å
141G38.7Very low56Low45 Ų45122.5 Ų122.546%0.46465%0.652SS.*  trans-44.7151.8-172.200000115.2E139 T143E139-G141 VanDerWaalsContact C-N 3.32Å; E139-G141 PolarHBondContact O-N 2.64Å; G141-T143 PolarHBondContact O-N 3.37Å
142P43.6Very low53.2Low118 Ų118124.5 Ų124.577%0.76667%0.672SS**  trans-61.9112.7-16926.2-35.1000111.2T144P142-T144 PolarHBondContact O-N 3.4Å
143T38.2Very low50.4Low142 Ų142126.8 Ų126.887%0.87169%0.685SS**  trans-70.287.3158.247.80000107.9G141 G145G141-T143 PolarHBondContact O-N 3.37Å; T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å
144T36.6Very low47.9Very low117 Ų117129 Ų12972%0.71870%0.7SS**  trans-57.593.3170.9-58.20000109.4P142 E146P142-T144 PolarHBondContact O-N 3.4Å; T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 HydrophobicContact CG2-CB 4.25Å
145G33.6Very low45.5Very low77 Ų77129.5 Ų129.579%0.79472%0.717SS**  trans-9636.5174.400000112.3T143 K147T143-G145 VanDerWaalsContact C-N 3.31Å; T143-G145 PolarHBondContact O-N 3.03Å; G145-K147 PolarHBondContact O-N 3.44Å
146E37.4Very low42.9Very low175 Ų175132.8 Ų132.882%0.81873%0.729SS**  trans-81.594.2177.2-166.9178.6-176.300110.2T144T144-E146 VanDerWaalsContact C-N 3.32Å; T144-E146 HydrophobicContact CG2-CB 4.25Å
147K31.3Very low40.4Very low203 Ų203133 Ų13388%0.88374%0.739SS**  trans-142.6107.4156.9-78.3-160.8174.8-174.40110.5G145G145-K147 PolarHBondContact O-N 3.44Å
148A37.3Very low38.4Very low86 Ų86132.8 Ų132.871%0.71175%0.749SS**  trans-74.2145.6156.500000109.6
149N32Very low37Very low142 Ų142130.1 Ų130.176%0.75975%0.748SS**  trans46128.7155.7-58.83.8000118.1
150D31.5Very low35.8Very low154 Ų154127.6 Ų127.682%0.82475%0.748SS**  -169.3-174.859.1-105.6-40.2000113.5
151E32Very low34.9Very low177 Ų177126.6 Ų126.683%0.82775%0.75SS**  trans-52.2148.8-167.1-62.4-166.211400122.1
152A32.9Very low34.7Very low75 Ų75129.9 Ų129.962%0.6277%0.767SS**  60146.612800000124.6
153N29.4Very low34.3Very low135 Ų135132.7 Ų132.772%0.72277%0.769SS**  trans69.2148158.8-63.8-32.6000117.6
154Q37.2Very low34.5Very low153 Ų153130.7 Ų130.772%0.71576%0.759SS**  cis-169.7144.5-19.5-115.7173.136.200106.6
155S35.2Very low34.3Very low98 Ų98134.2 Ų134.269%0.68576%0.764SS**  trans58.6158.8155.259.80000118.9
156D31.8Very low34.1Very low143 Ų143136.7 Ų136.777%0.76577%0.769SS**  cis-167.8176.2-23.8-104.9-49000107.7
157T32.1Very low34.5Very low130 Ų130137.9 Ų137.980%0.79877%0.772SS**  trans78132.7158.4-40.80000115.7
158S36.8Very low34.3Very low97 Ų97134 Ų13468%0.67877%0.77SS**  cis-174.7161.4-14.765.30000107.9
159V37.1Very low34Very low128 Ų128135.4 Ų135.478%0.77678%0.775SS**  cis-167.1169.7-14-96.30000108.5
160S33.2Very low34.6Very low107 Ų107136.3 Ų136.375%0.74878%0.779SS**  trans91142.7145.1-76.30000120.1
161L35.8Very low34.5Very low156 Ų156137.1 Ų137.182%0.81778%0.777SS**  cis-169.1136-11173.668.7000109
162S34.2Very low35.1Very low115 Ų115136.7 Ų136.780%0.80478%0.78SS**  trans162.1119.3133.648.90000114.8
163E33.8Very low34.9Very low176 Ų176140.3 Ų140.382%0.82279%0.788SS**  trans-91.5-175.7153.5-80.9-163.9150.100109.3
164P43Very low35Very low101 Ų101138.9 Ų138.966%0.65679%0.788SS**  cis-137.7170.90.622.14.1000118
165K31.8Very low34.7Very low191 Ų191139.9 Ų139.983%0.8379%0.793SS**  trans31.2131.7142.2-64.5166.4176.8155.80121.7
166S30.1Very low34.3Very low128 Ų128142.5 Ų142.590%0.89579%0.794SS**  -170.2176.3112.8-86.60000113.9
167K46.5Very low34.2Very low200 Ų200141.1 Ų141.187%0.8779%0.791SS**  trans-116.4171.9-154.3-60.1172.8175.1177.50115.4
168S26.7Very low34.3Very low121 Ų121143.4 Ų143.485%0.84679%0.79SS**  trans84154159.688.90000116.4
169S31.3Very low34.5Very low117 Ų117146.1 Ų146.182%0.81880%0.795SS**  cis-150.8166.4-3.5-158.80000111.2
170L44.6Very low34.1Very low161 Ų161142.7 Ų142.784%0.84379%0.786SS**  trans-75.9149.6179.4-62.6162.6000113.2
171H29.2Very low34.2Very low171 Ų171142.3 Ų142.379%0.79278%0.783SS**  trans-156.8125.3131.9-136-85.2000113.2
172L43.4Very low33.8Very low167 Ų167144.7 Ų144.787%0.87479%0.788SS**  trans-89.5140.7157.8-92.1162.8000107.9
173L28.8Very low33.9Very low152 Ų152146 Ų14680%0.79679%0.785SS**  trans-153.9133.8161.3-165.759.5000112.2
174S31.8Very low33.8Very low104 Ų104143.5 Ų143.573%0.72779%0.787SS**  trans-84.2155.8177.8-440000112.6
175H31.1Very low33.1Very low175 Ų175145.5 Ų145.581%0.8179%0.792SS**  trans-161.9120.2147.2-117.1-93.1000107.3
176E28Very low33.1Very low152 Ų152148.3 Ų148.371%0.7180%0.797SS**  72.7100.664.8-80.3-79.5147.800114.7
177T29.8Very low33.1Very low115 Ų115147.5 Ų147.571%0.70679%0.787SS**  trans40.5131.6133-21.80000122.7
178K34Very low32.7Very low177 Ų177146 Ų14677%0.7779%0.788SS**  trans102.2112.3134.7-145.7169.4-176.3175.50121.4
179I40.3Very low32.9Very low154 Ų154148.2 Ų148.279%0.7979%0.79SS**  trans41.8128.4135.8-48.8170000120.8
180G29.3Very low33Very low56 Ų56145.7 Ų145.758%0.57778%0.783SS**  trans171.893.415500000111.1
181S33.7Very low32.5Very low100 Ų100147.8 Ų147.870%0.69979%0.785SS**  48.299.191.6-1690000114.9
182F29.3Very low32.7Very low206 Ų206146.2 Ų146.290%0.90478%0.782SS**  trans-136.9102.9153.8-76.5-72.6000110
183L34.3Very low32.8Very low143 Ų143146.8 Ų146.875%0.74978%0.778SS**  trans-70148.5167.2-67.3163.2000109.8
184S32Very low32.9Very low123 Ų123144.4 Ų144.486%0.8678%0.78SS**  trans-149.1113.3157.8-80.70000109.6
185N29.1Very low32.9Very low142 Ų142142.7 Ų142.776%0.75978%0.779SS**  trans-82.7150.2-173.2-51.7-17.5000110.5
186R32Very low33Very low250 Ų250143 Ų14394%0.94379%0.786SS**  trans-138.8117.7155.7-169.5169.8170.1-177-7110.8
187T30.2Very low33Very low112 Ų112141.5 Ų141.569%0.68779%0.79SS**  trans-94.4139.9-175.939.80000112.8
188L37.6Very low34Very low168 Ų168140.3 Ų140.388%0.8879%0.785SS**  trans53.3123.4137.1-55.7172.2000120.1
189D31.4Very low34Very low168 Ų168139.8 Ų139.890%0.89879%0.79SS**  -145.6157.5112-16829.2000109.1
190G32.9Very low34.2Very low64 Ų64138.9 Ų138.966%0.6678%0.783SS**  trans-156159.1-173.900000114.6
191K34.6Very low34.5Very low204 Ų204143.6 Ų143.689%0.88780%0.795SS**  trans-155.797.5176.8-159.4162.2-177.8173.70114.8
192D33.6Very low35.3Very low138 Ų138146.6 Ų146.674%0.73880%0.803SS**  trans-3.6147.2134.8-80.6-26.7000118
193K45.3Very low36.2Very low179 Ų179145 Ų14578%0.77880%0.8SS**  cis-168.4155.716.7-104-111.5-177.2-179.50112.8
194A31.1Very low37Very low102 Ų102147.8 Ų147.884%0.84381%0.809SS**  trans62.3143.2151.300000119.9
195G30.3Very low37.7Very low68 Ų68145.1 Ų145.170%0.70180%0.801SS**  cis164.5156.9-9.400000112.2
196L33.3Very low38.6Very low183 Ų183144.3 Ų144.396%0.95880%0.797SS**  trans165.7152.6138.3-87.9165000110.5
197C28.3Very low39.8Very low120 Ų120137.5 Ų137.581%0.81179%0.787SS**  trans-113-174.9174.3-60.90000109.2
198P51.4Low40.9Very low90 Ų90140.4 Ų140.458%0.58479%0.791SS**  -116.3-178.8-51.836.4-23.7000109.7
199D33.7Very low41.4Very low165 Ų165141.1 Ų141.188%0.88279%0.787SS**  trans-147.2143.9144-95.2-43.9000108.4
200E44.4Very low42.3Very low136 Ų136139.8 Ų139.864%0.63678%0.78SS**  trans-96.4169.5-175.6-3.8-76.714400111
201D36.2Very low43.8Very low155 Ų155144.1 Ų144.183%0.82979%0.788SS**  trans67.7127.5174.7-45.5-35.9000114.1
202D49.8Very low44.5Very low162 Ų162139.8 Ų139.887%0.86678%0.781SS**  -158.7168.452.8-133.5-29.8000113
203M48.3Very low45.7Very low173 Ų173140.6 Ų140.685%0.85278%0.784SS**  trans-75.4146-170.5-75.4-74.4-179.600115.3G205M203-G205 PolarHBondContact O-N 3.01Å; M203-G205 VanDerWaalsContact O-N 3.08Å
204E52Low45.9Very low201 Ų201137.8 Ų137.894%0.93978%0.784SS**  trans-46.2104.8165.3-166.3155.1-148.700112.2
205G46.5Very low46.6Very low67 Ų67142 Ų14269%0.69178%0.783SS**  trans-114.8112178.200000110.9M203 S207M203-G205 PolarHBondContact O-N 3.01Å; M203-G205 VanDerWaalsContact O-N 3.08Å; G205-S207 PolarHBondContact O-N 3.05Å
206D46.9Very low47.5Very low125 Ų125144.6 Ų144.667%0.66879%0.788SS**  trans-47.6129.9170.6165.4-60.4000111.8F208D206-F208 WeakPolarHBondContact OD1-CA 3.34Å; D206-F208 WeakPolarHBondContact OD1-CB 3.24Å; D206-F208 PolarHBondContact OD1-N 3.29Å; D206-F208 WeakPolarHBondContact OD2-CB 3.35Å
207S57.2Low47.8Very low107 Ų107144.8 Ų144.875%0.74878%0.784SS**  trans-103.927176.8-161.80000111.8G205G205-S207 PolarHBondContact O-N 3.05Å
208F53.8Low48.5Very low173 Ų173148.3 Ų148.376%0.75979%0.785SS**SBendtrans-91.9-14.1-175.7-176.4-109.5000112.8D206D206-F208 WeakPolarHBondContact OD1-CA 3.34Å; D206-F208 WeakPolarHBondContact OD1-CB 3.24Å; D206-F208 PolarHBondContact OD1-N 3.29Å; D206-F208 WeakPolarHBondContact OD2-CB 3.35Å
209F48.7Very low48Very low184 Ų184150 Ų15081%0.80779%0.794SS**SBendtrans-112.17.6-175.9-120.3-85.2000115.9
210D50.6Low48.3Very low140 Ų140153 Ų15375%0.74979%0.794SS**  trans-90.7-4.1-175.4-115.7-10000114.5P212D210-P212 WeakPolarHBondContact O-CD 3.39Å
211D63.8Low47.8Very low154 Ų154149.4 Ų149.482%0.82479%0.794SS**SBendtrans-77.3116.8175.3-101-17.8000111.3I213D211-I213 PolarHBondContact O-N 3.03Å
212P49.6Very low47.8Very low113 Ų113150.1 Ų150.173%0.73480%0.797SS**PPolyproline II helixtrans-75.1128.9-173.129-34.5000112.6D210D210-P212 WeakPolarHBondContact O-CD 3.39Å
213I59.1Low47Very low156 Ų156153.6 Ų153.680%0.880%0.798SS**PPolyproline II helixtrans-53.9127.8175.9-59.7170.1000110.9D211 K215D211-I213 PolarHBondContact O-N 3.03Å; I213-K215 PolarHBondContact O-N 3.46Å
214P48.5Very low46.4Very low119 Ų119154.9 Ų154.977%0.77380%0.799SS**PPolyproline II helixtrans-59.7128.1177.3-24.133.7000112.4
215K47Very low45.5Very low190 Ų190154.2 Ų154.283%0.82680%0.796SS**PPolyproline II helixtrans-75.3139.5179.6-68174.8-176.6167.80111I213 E217I213-K215 PolarHBondContact O-N 3.46Å; K215-E217 PolarHBondContact O-N 2.9Å
216P48.2Very low45.3Very low124 Ų124157.2 Ų157.281%0.80580%0.803SS**  trans-75.3108177.429.2-33.7000111.5
217E40.4Very low44.7Very low187 Ų187163 Ų16387%0.87482%0.815SS**  trans-70.8137.3172.1-70.8-159.4139.400112.4K215K215-E217 PolarHBondContact O-N 2.9Å
218K42.1Very low43.7Very low193 Ų193167 Ų16784%0.83982%0.82SS**  trans-95.4109.7177-72.6176179.2171.20111.2
219T40.6Very low42.9Very low127 Ų127167.5 Ų167.578%0.77982%0.824SS**  trans51.895.1140.6-47.80000118.3
220Y40.5Very low42Very low226 Ų226163.6 Ų163.689%0.88683%0.826SS**  trans-99.9142.9136.6-59.6-93.7000107.3
221G33.2Very low41.3Very low61 Ų61160.8 Ų160.863%0.62983%0.83SS**  cis171.555.50.600000111.2R223G221-R223 PolarHBondContact O-N 3.43Å
222L36.6Very low39.8Very low171 Ų171159.4 Ų159.490%0.89583%0.832SS**  trans-70.5113.7-176-17367.2000111.7
223R32.7Very low40Very low234 Ų234162.4 Ų162.488%0.88384%0.841SS**  trans-67.6138-173.5-62-91.1-77.6-139.9-5.3112.3G221G221-R223 PolarHBondContact O-N 3.43Å
224K35.5Very low38.9Very low201 Ų201159.4 Ų159.487%0.87484%0.84SS**  trans-127.9138.2160.6-74.6-175177.4176.90109.8
225E35Very low38.6Very low187 Ų187159.7 Ų159.787%0.87485%0.845SS**PPolyproline II helixtrans-77.4158.8178.8-79-170.613600113.5
226P40.6Very low39Very low129 Ų129158.3 Ų158.384%0.83885%0.846SS**PPolyproline II helixtrans-83.6144.4-173.533.2-35.3000113.9
227R35.1Very low38.7Very low246 Ų246158.1 Ų158.193%0.92885%0.847SS**PPolyproline II helixtrans-84.7152.5172-73.7177167167.9-5.8112.4
228K35.8Very low38.8Very low192 Ų192157.2 Ų157.284%0.83585%0.848SS**  trans-123.4122.6155.5-92.4-174.4174.6179.40111.5
229Q37.2Very low39.1Very low183 Ų183152.3 Ų152.386%0.85584%0.844SS**  trans36123.3145.7-60.4176.3-1400120.9
230A30.8Very low39.4Very low102 Ų102152 Ų15284%0.84384%0.844SS**  165.6132.394.600000114.1
231G34.4Very low39.8Very low81 Ų81146.4 Ų146.484%0.83584%0.836SS**  trans68.8165.8166.300000117.1
232S33.4Very low40.3Very low125 Ų125152.1 Ų152.187%0.87485%0.851SS**  cis-159.5171.3-21.8-165.50000108.8
233L53.3Low40.8Very low176 Ų176153.1 Ų153.192%0.92185%0.848SS**  trans-80.3133-170-58.5165.9000115
234A36.7Very low41.3Very low94 Ų94147.9 Ų147.978%0.77785%0.847SS**  trans-170.9121.2149.400000107.2
235S41.5Very low41.3Very low125 Ų125141.8 Ų141.887%0.87484%0.842SS**  75.8140.363.6-145.80000114.6
236L55Low42.1Very low161 Ų161140.8 Ų140.884%0.84384%0.841SS**  trans-79.3167.3-154.7-61.8168000115.6
237S42.4Very low41.8Very low119 Ų119140.2 Ų140.283%0.83284%0.84SS**  trans97.594.3154.6-35.90000117.3
238D42.8Very low42.1Very low168 Ų168133.6 Ų133.690%0.89883%0.832SS**  -164.4118.5126.3-144.9-10.1000113
239A47.1Very low42.4Very low91 Ų91132.5 Ų132.575%0.75283%0.834SS**  trans-175.1128.9160.100000109.5
240P47Very low42.2Very low119 Ų119128.5 Ų128.577%0.77383%0.833SS**PPolyproline II helixtrans-86.4156.4-16833.2-36.4000114.7
241P50.5Low42.5Very low110 Ų110127.6 Ų127.671%0.71483%0.833SS**PPolyproline II helixtrans-87.3141.3-176.634.2-34.8000113.6K243P241-K243 PolarHBondContact O-N 3.04Å
242L42.5Very low42.7Very low181 Ų181128.5 Ų128.595%0.94883%0.833SS**PPolyproline II helixtrans-77.3119.4167.5-63.9178.3000110.1
243K48.4Very low43Very low192 Ų192128.5 Ų128.584%0.83583%0.83SS**PPolyproline II helixtrans-96.5137.8176.8-78.7-171.9174-176.30112.3P241P241-K243 PolarHBondContact O-N 3.04Å
244S42.1Very low42.1Very low123 Ų123125.2 Ų125.286%0.8682%0.821SS**PPolyproline II helixtrans-60.7148.4162174.90000111.8
245G36.5Very low42.1Very low74 Ų74128.1 Ų128.176%0.76382%0.823SS**  trans-176.4100.3174.700000113.8
246L50.9Low41.9Very low165 Ų165131.2 Ų131.286%0.86482%0.821SS**  trans-71.6140.9165-61.3163.9000110
247S33.9Very low40.9Very low117 Ų117131.1 Ų131.182%0.81882%0.821SS**  trans174.2111.9139.7-81.50000114.9
248S41Very low41Very low108 Ų108131.3 Ų131.376%0.75582%0.822SS**  30.8132127.9-56.70000124.5
249L42.6Very low40.8Very low168 Ų168130.3 Ų130.388%0.8881%0.812SS**  trans94.9145.1132-108.485.6000122.9
250A33.4Very low40.5Very low100 Ų100131.8 Ų131.883%0.82682%0.817SS**  trans81.9114.4155.400000120.2
251G37.8Very low40.7Very low83 Ų83134 Ų13486%0.85681%0.814SS**  trans133.849.5140.400000121.2
252A37.4Very low40.8Very low100 Ų100140.6 Ų140.683%0.82683%0.825SS**  trans-156.4135.7156.900000112.4
253P40.7Very low41.1Very low124 Ų124135.1 Ų135.181%0.80581%0.813SS**  trans-101.5133.2-175.636-31.6000115.2
254S34.3Very low41.5Very low107 Ų107131.2 Ų131.275%0.74880%0.801SS**  trans50.7151.3131.2-146.90000123.6
255L35.5Very low42.3Very low156 Ų156130.9 Ų130.982%0.81779%0.793SS**  trans74.5134168.8-59.6167.4000115.4
256K38.7Very low43.3Very low190 Ų190132.9 Ų132.983%0.82679%0.791SS**  cis-154.7144.210.4-161.3174.4-179.3-179.30111
257D34.3Very low43.6Very low159 Ų159130.6 Ų130.685%0.8578%0.779SS**  trans-67.4147.9178.1-52.3-88000113.7
258S43.7Very low44.9Very low122 Ų122132.7 Ų132.785%0.85377%0.773SS**  trans-137.8110.8156.7-171.80000109.3S260S258-S260 PolarHBondContact O-N 2.76Å
259E38.3Very low45.7Very low148 Ų148132.9 Ų132.969%0.69277%0.766SS**  trans-65.9122.5-178.3-177.4-178.8172.200111K261E259-K261 HydrophobicContact CG-CB 4.38Å; E259-K261 IonicContact OE1-NZ 2.77Å; E259-K261 PolarHBondContact OE1-NZ 3.37Å
260S42Very low46.5Very low122 Ų122130.8 Ų130.885%0.85376%0.755SS**  trans-131.8135.2152.497.20000110.2S258S258-S260 PolarHBondContact O-N 2.76Å
261K50.7Low47.8Very low164 Ų164133.4 Ų133.471%0.71375%0.747SS**  trans-132.796.8-147.4174.5-167.4-150135.70109.9E259E259-K261 HydrophobicContact CG-CB 4.38Å; E259-K261 IonicContact OE1-NZ 2.77Å; E259-K261 PolarHBondContact OE1-NZ 3.37Å
262R51.8Low48.9Very low250 Ų250135.7 Ų135.794%0.94374%0.739SS**  trans-179.7131.9153.4-165.1161.6-69172.4-0.5111.2
263G48.8Very low50.1Low66 Ų66135.6 Ų135.668%0.6872%0.724SS**  trans109.672.115800000117.3
264N56.3Low51.2Low110 Ų110133.6 Ų133.659%0.58871%0.713SS**  trans-16473.9146.8-120.2-34.1000113.4L267N264-L267 WeakPolarHBondContact OD1-CD1 3.12Å; N264-L267 WeakPolarHBondContact OD1-CG 3.43Å
265T60.8Low52.6Low115 Ų115134.5 Ų134.571%0.70671%0.709SS**SBendtrans-106.1-33.8169.244.50000112.4L267 K268T265-L267 PolarHBondContact O-N 3.45Å; T265-K268 PolarHBondContact O-N 3.47Å
266V57.5Low53.9Low117 Ų117135 Ų13571%0.70971%0.705SS**Hα-helixtrans-70.6-31.5-171.5-174.10000113.6K268V266-K268 PolarHBondContact O-N 3.37Å
267L56.8Low54.9Low117 Ų117131.8 Ų131.861%0.61370%0.695SS**Hα-helixtrans-74.6-5.1-178.7-61.9-175000114.7N264 T265N264-L267 WeakPolarHBondContact OD1-CD1 3.12Å; N264-L267 WeakPolarHBondContact OD1-CG 3.43Å; T265-L267 PolarHBondContact O-N 3.45Å
268K59.8Low56Low160 Ų160128 Ų12870%0.69669%0.694SS**Hα-helixtrans-85.3-36.7178.8-67.4-177.1-179.6178.90112.6T265 V266T265-K268 PolarHBondContact O-N 3.47Å; V266-K268 PolarHBondContact O-N 3.37Å
269D58.3Low56.6Low112 Ų112127 Ų12760%0.59969%0.687SS**Hα-helixtrans-70.6-40.2-179.9-77.6-10.5000112.3K271 L272 I273D269-K271 PolarHBondContact O-N 2.89Å; D269-K271 VanDerWaalsContact O-N 3.17Å; D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.44Å; D269-I273 WeakPolarHBondContact O-CG1 3.37Å; D269-I273 PolarHBondContact O-N 2.91Å
270L60.2Low57.3Low124 Ų124126.8 Ų126.865%0.64969%0.69SS**Hα-helixtrans-59.9-32.4-178.8-164.767.6000112.4S274L270-S274 PolarHBondContact O-N 3.02Å
271K59.9Low57.9Low155 Ų155124.7 Ų124.767%0.67469%0.687SS**Hα-helixtrans-71.8-36.9177.3-159.6170.4-173.41770112.5D269 I273 S274D269-K271 PolarHBondContact O-N 2.89Å; D269-K271 VanDerWaalsContact O-N 3.17Å; K271-I273 VanDerWaalsContact C-N 3.3Å; K271-I273 PolarHBondContact O-N 2.88Å; K271-S274 PolarHBondContact O-N 3.2Å
272L61.7Low58Low131 Ų131125 Ų12569%0.68670%0.696SS**Hα-helixtrans-68-29.2177.3-160.881.8000112.6D269D269-L272 WeakPolarHBondContact O-CB 3.41Å; D269-L272 PolarHBondContact O-N 3.44Å
273I62.6Low57.6Low99 Ų99116.2 Ų116.251%0.50868%0.683SS.*Hα-helixtrans-75.2-40179-62.1163.3000110.9D269 K271 D275 K276D269-I273 WeakPolarHBondContact O-CG1 3.37Å; D269-I273 PolarHBondContact O-N 2.91Å; K271-I273 VanDerWaalsContact C-N 3.3Å; K271-I273 PolarHBondContact O-N 2.88Å; I273-D275 VanDerWaalsContact C-N 3.34Å; I273-D275 PolarHBondContact O-N 3.18Å; I273-K276 PolarHBondContact O-N 2.96Å; I273-K276 VanDerWaalsContact O-N 3.09Å
274S63.5Low57.7Low81 Ų81120.2 Ų120.257%0.56669%0.694SS**Hα-helixtrans-55.9-45.5178.2-172.20000112.4L270 K271 K276 I277L270-S274 PolarHBondContact O-N 3.02Å; K271-S274 PolarHBondContact O-N 3.2Å; S274-K276 PolarHBondContact O-N 3.32Å; S274-K276 VanDerWaalsContact O-N 3.12Å; S274-I277 PolarHBondContact O-N 3.01Å
275D63.5Low57.2Low126 Ų126118.6 Ų118.667%0.67470%0.703SS**Hα-helixtrans-67.1-12.5-178.6-64.1-22.4000113.1I273I273-D275 VanDerWaalsContact C-N 3.34Å; I273-D275 PolarHBondContact O-N 3.18Å
276K63.4Low56.6Low168 Ų168121 Ų12173%0.7371%0.707SS**Hα-helixtrans-95.4-17.9-177.9-158.2172-178.3-174.90114.2I273 S274I273-K276 PolarHBondContact O-N 2.96Å; I273-K276 VanDerWaalsContact O-N 3.09Å; S274-K276 PolarHBondContact O-N 3.32Å; S274-K276 VanDerWaalsContact O-N 3.12Å
277I58.2Low56.3Low121 Ų121121.9 Ų121.962%0.62171%0.708SS**Hα-helixtrans-75.9-33.3178.9-63.9174.3000111S274 S279 L280S274-I277 PolarHBondContact O-N 3.01Å; I277-S279 PolarHBondContact O-N 3.5Å; I277-L280 PolarHBondContact O-N 3.47Å
278G58.2Low56.1Low79 Ų79124.4 Ų124.481%0.81472%0.721SS**THydrogen-bonded Turntrans-65.5-3178.600000116.1
279S57.4Low55.9Low102 Ų102123.9 Ų123.971%0.71373%0.726SS**THydrogen-bonded Turntrans-97-3.7176.8-171.40000113.9I277 G281I277-S279 PolarHBondContact O-N 3.5Å; S279-G281 PolarHBondContact O-N 3.24Å
280L51.7Low55.7Low144 Ų144129.8 Ų129.875%0.75474%0.742SS**SBendtrans-93.584.3175.3-63.7-179.8000109.2I277 L282I277-L280 PolarHBondContact O-N 3.47Å; L280-L282 PolarHBondContact O-N 3.07Å
281G56Low55.5Low77 Ų77129.8 Ų129.879%0.79475%0.747SS**  trans-65.786.7-17500000113.9S279S279-G281 PolarHBondContact O-N 3.24Å
282L51.7Low55.3Low172 Ų172128.7 Ų128.790%0.90175%0.748SS**  trans-94.391.7154.5-63.4-178.6000106.7L280L280-L282 PolarHBondContact O-N 3.07Å
283G43.7Very low55Low65 Ų65130.1 Ų130.167%0.6776%0.756SS**  trans-69.8158.3-173.900000113G285G283-G285 PolarHBondContact O-N 3.26Å
284T51Low54.2Low150 Ų150135.2 Ų135.292%0.9278%0.775SS**  trans-45.9108.2151.142.80000109.5
285G46.4Very low53.3Low75 Ų75137.5 Ų137.577%0.77378%0.781SS**  trans-103.4126.7167.400000108.5G283G283-G285 PolarHBondContact O-N 3.26Å
286E47.5Very low52.6Low166 Ų166136 Ų13678%0.77678%0.78SS**  trans-83.2161.1-179.858-131.2125.300112.6
287D50.6Low51.3Low136 Ų136134.1 Ų134.173%0.72778%0.783SS**  trans61.8113.8158.5-49.7-21.6000120.4
288D53.2Low50.7Low169 Ų169133.5 Ų133.590%0.90479%0.79SS**  trans-159.299.5136.8-105.2-26.5000109.2Y290D288-Y290 PolarHBondContact O-N 2.96Å
289D54.8Low49.8Very low149 Ų149137.9 Ų137.980%0.79779%0.789SS**  trans-74.4106.4176.8-75-51.8000110.6
290Y55.6Low49Very low237 Ų237143.3 Ų143.393%0.92979%0.794SS**  trans-11290.4170.3-140.9-87.4000111.2D288D288-Y290 PolarHBondContact O-N 2.96Å
291V54.9Low48.3Very low123 Ų123141.4 Ų141.475%0.74579%0.792SS**  trans-113.7128-179.6-75.70000112.5
292D54.9Low47.4Very low132 Ų132143.2 Ų143.271%0.70678%0.78SS**  trans61.898.5144-148.210.3000118.9
293D55.7Low46.6Very low161 Ų161143.5 Ų143.586%0.86177%0.774SS**  trans-152.384.4160.4-113.8-19.7000109.7
294F46.3Very low46.4Very low206 Ų206144.9 Ų144.990%0.90477%0.774SS**  trans-171.680.7136.5-121.9-99.5000113.6
295N44.4Very low46.2Very low129 Ų129146.4 Ų146.469%0.6977%0.77SS**  trans-108.5151.5153.9-83-69.6000107.1
296S49.2Very low45.9Very low94 Ų94150.3 Ų150.366%0.65777%0.772SS**  cis-176139.2-3.8-111.60000108.2
297T36.4Very low45.6Very low129 Ų129147.2 Ų147.279%0.79177%0.769SS**  trans-157.6112.8158.547.70000109
298S45.4Very low45.2Very low109 Ų109149.1 Ų149.176%0.76278%0.777SS**  cis83.961.927-158.10000117.1
299H38.9Very low44.6Very low171 Ų171144.2 Ų144.279%0.79277%0.766SS**  trans-138.1101.8155.7-63.5-70.7000108.6
300R41.4Very low44.3Very low216 Ų216146.6 Ų146.682%0.81577%0.773SS**  44.9103.9100.9-80.6-176145.2-121.8-5.2113.3
301S36.8Very low43.8Very low104 Ų104143.8 Ų143.873%0.72777%0.768SS**  78144.191.3-144.70000111.1
302E36.7Very low43.5Very low115 Ų115145.7 Ų145.754%0.53777%0.772SS.*  cis-164.8156.136.8-60.5168.2-171.900109.9
303K35.8Very low43Very low177 Ų177148.1 Ų148.177%0.7778%0.779SS**  trans69.8156160.1-55.5141.5-174.6163.40117.6
304S38Very low42.7Very low95 Ų95149.1 Ų149.166%0.66478%0.779SS**  cis-174.9144.3-25.3520000110.6
305E47.9Very low42.6Very low182 Ų182146.1 Ų146.185%0.8577%0.772SS**  trans45.2114.3143.8-60.6175.3166.400122
306I39.3Very low42.3Very low157 Ų157148.2 Ų148.281%0.80578%0.783SS**  161104.6121.8-142.373.1000107
307S42.5Very low42.1Very low101 Ų101149.1 Ų149.171%0.70679%0.789SS**  55.6104.675.3-171.30000115.6
308I41.9Very low42.6Very low175 Ų175149.6 Ų149.690%0.89779%0.791SS**  trans149.1139.6161.8-85156.4000105.9
309G40.5Very low42.2Very low66 Ų66152.8 Ų152.868%0.6879%0.794SS**  cis176.4140.2-1.800000107.2
310E48.3Very low42.7Very low200 Ų200151.1 Ų151.194%0.93579%0.789SS**  trans-89.9111.4-168.4176.8-177.6-152.500111.4
311E44.7Very low42.6Very low177 Ų177148.5 Ų148.583%0.82779%0.792SS**  trans-163122.816147.3-15718000111.6
312I48.7Very low43.2Very low164 Ų164150.5 Ų150.584%0.84179%0.794SS**  trans-113.5109.916640.9166.4000108
313E44.7Very low43.7Very low183 Ų183152.4 Ų152.486%0.85581%0.807SS**  trans-88.9120.1168.6-66.4-169.5147.900108.8D315E313-D315 PolarHBondContact O-N 2.8Å
314E49.5Very low44.5Very low182 Ų182150.7 Ų150.785%0.8581%0.806SS**  trans-80.1106.8175.7-67.2-178.6156.800110
315D43.7Very low44.8Very low142 Ų142152 Ų15276%0.75981%0.81SS**  trans-142.392.5168.3-106.8-32.8000111.2E313E313-D315 PolarHBondContact O-N 2.8Å
316L38.1Very low45.1Very low174 Ų174146.8 Ų146.891%0.91179%0.794SS**  trans-121.284163.1-83.2175000109.6V318L316-V318 PolarHBondContact O-N 3.41Å
317S44.8Very low45.5Very low113 Ų113145.6 Ų145.679%0.7979%0.789SS**  trans-67.8116.8163.8-70.80000109.9
318V46.7Very low45.9Very low138 Ų138149.5 Ų149.584%0.83679%0.793SS**  trans-112.7114.3161.5170.40000107.7L316L316-V318 PolarHBondContact O-N 3.41Å
319E36.9Very low46.4Very low177 Ų177145.6 Ų145.683%0.82778%0.778SS**  trans-78.8155.5178.5-168.6164.4-169.600111
320I50.5Low46.9Very low135 Ų135146.8 Ų146.869%0.69277%0.768SS**  trans-47153.6-172.149.7160.2000117.4
321D38.3Very low47.1Very low161 Ų161141.4 Ų141.486%0.86175%0.748SS**  -151.4132.1129-113.6-25.9000111.6
322D49.7Very low47.3Very low147 Ų147139.9 Ų139.979%0.78674%0.741SS**  trans-80121.2-175-93.5-49.5000112.4
323I47.8Very low47.5Very low155 Ų155137.6 Ų137.680%0.79573%0.73SS**  trans-124.7101.3161.4-59-177.3000110.4T325I323-T325 PolarHBondContact O-N 3.09Å
324N51.7Low47.7Very low141 Ų141134.8 Ų134.875%0.75472%0.717SS**  trans-69.2109178.9-134.4-54000111.1
325T44.9Very low47.8Very low122 Ų122129.5 Ų129.575%0.74870%0.699SS**  trans-147.844.1167.1-44.60000111.9I323I323-T325 PolarHBondContact O-N 3.09Å
326S53.5Low48.2Very low73 Ų73128.4 Ų128.451%0.5169%0.693SS.*  trans-79.8121.2168.453.40000111
327D47.8Very low48.8Very low132 Ų132126.7 Ų126.771%0.70668%0.684SS**SBendtrans171.9-9.9145.3-98.1-11.1000114
328K51.3Low49Very low183 Ų183125 Ų12580%0.79667%0.672SS**SBendtrans-104.6-13.9-175.5-68.7179-178.4171.30116
329T53Low49.4Very low93 Ų93124 Ų12457%0.57166%0.661SS**SBendtrans-98.2-28.7-17648.10000113.4Q332 L333T329-Q332 PolarHBondContact O-N 3.12Å; T329-L333 PolarHBondContact O-N 3.37Å
330I50.6Low49.8Very low91 Ų91118.8 Ų118.847%0.46765%0.654SS.*Hα-helixtrans-64.9-43.8-178.4-64.9171.5000110.9Q332 L333 E334I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.39Å; I330-L333 PolarHBondContact O-N 2.61Å; I330-E334 PolarHBondContact O-N 3.38Å; I330-E334 VanDerWaalsContact O-N 3.09Å
331T51.4Low49.6Very low87 Ų87115.8 Ų115.853%0.53465%0.649SS.*Hα-helixtrans-64.8-28.7-178.751.40000113.9C335T331-C335 PolarHBondContact O-N 3.2Å
332Q49.2Very low50Low145 Ų145115.4 Ų115.468%0.67865%0.646SS**Hα-helixtrans-77-33.9176-68.9-165-23.900112.6T329 I330T329-Q332 PolarHBondContact O-N 3.12Å; I330-Q332 VanDerWaalsContact C-N 3.3Å; I330-Q332 PolarHBondContact O-N 3.39Å
333L52.8Low50Low115 Ų115116.9 Ų116.960%0.60265%0.648SS**Hα-helixtrans-74-38.9177.3-82.6161.2000112.5T329 I330 C335 L336 L337T329-L333 PolarHBondContact O-N 3.37Å; I330-L333 PolarHBondContact O-N 2.61Å; L333-C335 VanDerWaalsContact C-N 3.27Å; L333-C335 PolarHBondContact O-N 3Å; L333-L336 PolarHBondContact O-N 2.85Å; L333-L337 PolarHBondContact O-N 3.33Å
334E50.1Low49.8Very low125 Ų125118.9 Ų118.958%0.58465%0.652SS**Hα-helixtrans-63.3-32.9174.2-71.2-171.2147.400112.8I330 L336 L337 S338I330-E334 PolarHBondContact O-N 3.38Å; I330-E334 VanDerWaalsContact O-N 3.09Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.8Å; E334-L337 PolarHBondContact O-N 3.48Å; E334-S338 PolarHBondContact O-N 3.05Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 3.46Å
335C50.3Low49.7Very low70 Ų70121.6 Ų121.647%0.47366%0.657SS.*Hα-helixtrans-64.1-37.2177.9-160.10000112.2T331 L333T331-C335 PolarHBondContact O-N 3.2Å; L333-C335 VanDerWaalsContact C-N 3.27Å; L333-C335 PolarHBondContact O-N 3Å
336L52Low49.9Very low120 Ų120123.2 Ų123.263%0.62866%0.661SS**Hα-helixtrans-72.9-37.1176-67173.3000112.2L333 E334 S338 I339L333-L336 PolarHBondContact O-N 2.85Å; E334-L336 VanDerWaalsContact C-N 3.33Å; E334-L336 PolarHBondContact O-N 2.8Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.08Å; L336-I339 HydrophobicContact CD2-CD1 4.38Å; L336-I339 PolarHBondContact O-N 3.49Å
337L51.8Low49.7Very low137 Ų137126.7 Ų126.772%0.71768%0.679SS**Hα-helixtrans-64.1-34.9177-106.9137.8000112.9L333 E334 I339 G340L333-L337 PolarHBondContact O-N 3.33Å; E334-L337 PolarHBondContact O-N 3.48Å; L337-I339 VanDerWaalsContact C-N 3.28Å; L337-I339 PolarHBondContact O-N 3.2Å; L337-G340 PolarHBondContact O-N 3.24Å
338S48.1Very low49.7Very low78 Ų78124.9 Ų124.955%0.54568%0.683SS.*Hα-helixtrans-65.8-27.1176-72.90000114E334 L336 A341E334-S338 PolarHBondContact O-N 3.05Å; E334-S338 VanDerWaalsContact O-N 3.13Å; E334-S338 PolarHBondContact O-OG 3.46Å; L336-S338 VanDerWaalsContact C-N 3.33Å; L336-S338 PolarHBondContact O-N 3.08Å; S338-A341 PolarHBondContact O-N 3.34Å
339I56.5Low49.3Very low118 Ų118123.9 Ų123.961%0.60569%0.686SS**Hα-helixtrans-68.4-38.2-179.4-63170.2000110.8L336 L337 A341L336-I339 HydrophobicContact CD2-CD1 4.38Å; L336-I339 PolarHBondContact O-N 3.49Å; L337-I339 VanDerWaalsContact C-N 3.28Å; L337-I339 PolarHBondContact O-N 3.2Å; I339-A341 VanDerWaalsContact C-N 3.32Å; I339-A341 PolarHBondContact O-N 3.3Å
340G44.5Very low48.8Very low66 Ų66126.9 Ų126.968%0.6870%0.697SS**Hα-helixtrans-68.8-25.417800000114.6L337L337-G340 PolarHBondContact O-N 3.24Å
341A46.2Very low48.4Very low72 Ų72135.4 Ų135.460%0.59573%0.731SS**Hα-helixtrans-79.9-15.1-174.900000114.5S338 I339S338-A341 PolarHBondContact O-N 3.34Å; I339-A341 VanDerWaalsContact C-N 3.32Å; I339-A341 PolarHBondContact O-N 3.3Å
342L46.3Very low48.2Very low153 Ų153137.8 Ų137.880%0.80174%0.741SS**THydrogen-bonded Turntrans-88.7-6.9-173.2-76.3167.8000114.9
343H50.3Low48.2Very low178 Ų178137.4 Ų137.482%0.82474%0.744SS**THydrogen-bonded Turntrans-10522.9-176.3-157.9-88.6000115
344F44.5Very low47.9Very low198 Ų198138.7 Ų138.787%0.86875%0.752SS**SBendtrans-133.416.1173.3-146.3-96.9000115.1
345K48.4Very low47.8Very low197 Ų197139.5 Ų139.586%0.85776%0.762SS**SBendtrans-128.553-179.8-87.9177.4177.1173.30113
346N48.5Very low47.7Very low156 Ų156143.8 Ų143.883%0.83478%0.78SS**  trans-157.578.3160.5-145.5-15.6000113.7
347T49.8Very low47.4Very low147 Ų147145.4 Ų145.490%0.90279%0.79SS**SBendtrans-170.275.9151.5-620000108.1
348A47.8Very low47Very low94 Ų94146 Ų14678%0.77780%0.795SS**SBendtrans-167.555.8169.400000112
349D42.7Very low47Very low162 Ų162151.2 Ų151.287%0.86682%0.815SS**  trans-166.3152.5153.2-102.3-36.8000108.9
350I44.2Very low46.2Very low156 Ų156154 Ų15480%0.883%0.832SS**  trans75.580-164.8-47.9160.4000111.1
351F41Very low46.3Very low269 Ų269162 Ų162100%1.1885%0.846SS**  -156.8065.8-115-77.7000113.1

Retrieved 351 of 351 residues in 340.5 ms (Link to these results)