A0A5K4F8D7_SCHMA Loading...

CUPID domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8D7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 952 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M52.2Low70.4Confident162 Ų162100.9 Ų100.980%0.79852%0.524SS*.  0154.20-68.984.5105.100110.9D5 L6M1-D5 VanDerWaalsContact C-OD2 3.31Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 3.86Å; M1-D5 HydrophobicContact CG-CB 3.93Å; M1-L6 HydrophobicContact CB-CD1 3.47Å; M1-L6 VanDerWaalsContact CB-CD1 3.47Å; M1-L6 HydrophobicContact CE-CD1 4.21Å; M1-L6 HydrophobicContact CG-CD1 3.94Å
2T72.6Confident70.6Confident76 Ų7696.6 Ų96.647%0.46651%0.514SS..  trans-91.8165.7152.480.80000110L4 D5 L6T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-L4 PolarHBondContact OG1-N 3.43Å; T2-D5 PolarHBondContact N-OD2 3.16Å; T2-D5 WeakPolarHBondContact O-CB 3.46Å; T2-D5 PolarHBondContact O-N 2.84Å; T2-D5 PolarHBondContact OG1-N 3.42Å; T2-D5 PolarHBondContact OG1-OD1 3.1Å; T2-L6 PolarHBondContact O-N 3.16Å
3D68.9Low70.7Confident134 Ų13496.7 Ų96.772%0.71751%0.51SS*.Hα-helixtrans-53.7-32.6173.7-50.8-18.2000112.5D5 Y7D3-D5 VanDerWaalsContact C-N 3.32Å; D3-Y7 VanDerWaalsContact O-CD2 3.27Å; D3-Y7 WeakPolarHBondContact O-CD2 3.43Å; D3-Y7 PolarHBondContact O-N 3.32Å
4L70.8Confident71Confident82 Ų8295.8 Ų95.843%0.42951%0.505SS..Hα-helixtrans-71.7-28.5177.8-165.873000111.8T2 S8T2-L4 PolarHBondContact O-N 3.43Å; T2-L4 VanDerWaalsContact O-N 3.13Å; T2-L4 PolarHBondContact OG1-N 3.43Å; L4-S8 WeakPolarHBondContact O-CB 3.32Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 3.21Å
5D72.1Confident71.2Confident69 Ų6995.2 Ų95.237%0.36950%0.503SS..Hα-helixtrans-70.6-45.4177.3-41-3.4000108.3M1 T2 D3 Y7 S8 E9M1-D5 VanDerWaalsContact C-OD2 3.31Å; M1-D5 WeakPolarHBondContact CA-OD2 3.36Å; M1-D5 HydrophobicContact CB-CB 3.86Å; M1-D5 HydrophobicContact CG-CB 3.93Å; T2-D5 PolarHBondContact N-OD2 3.16Å; T2-D5 WeakPolarHBondContact O-CB 3.46Å; T2-D5 PolarHBondContact O-N 2.84Å; T2-D5 PolarHBondContact OG1-N 3.42Å; T2-D5 PolarHBondContact OG1-OD1 3.1Å; D3-D5 VanDerWaalsContact C-N 3.32Å; D5-Y7 PolarHBondContact O-N 3.01Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 WeakPolarHBondContact O-CA 3.4Å; D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.1Å; D5-E9 WeakPolarHBondContact O-CB 3.27Å; D5-E9 PolarHBondContact O-N 3.26Å
6L70.7Confident71.3Confident81 Ų8197.9 Ų97.942%0.42451%0.512SS..Hα-helixtrans-57.6-46.3172.1-91.179.1000111.9M1 T2 S8 E9 I10M1-L6 HydrophobicContact CB-CD1 3.47Å; M1-L6 VanDerWaalsContact CB-CD1 3.47Å; M1-L6 HydrophobicContact CE-CD1 4.21Å; M1-L6 HydrophobicContact CG-CD1 3.94Å; T2-L6 PolarHBondContact O-N 3.16Å; L6-S8 PolarHBondContact O-N 3.04Å; L6-E9 PolarHBondContact O-N 3.36Å; L6-I10 WeakPolarHBondContact O-CB 3.3Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.23Å
7Y71.8Confident71.5Confident163 Ų16398.2 Ų98.264%0.63951%0.508SS*.Hα-helixtrans-62.8-28.5176.3-88.8-63.3000112.9D3 D5 V11D3-Y7 VanDerWaalsContact O-CD2 3.27Å; D3-Y7 WeakPolarHBondContact O-CD2 3.43Å; D3-Y7 PolarHBondContact O-N 3.32Å; D5-Y7 PolarHBondContact O-N 3.01Å; Y7-V11 WeakPolarHBondContact O-CB 3.22Å; Y7-V11 WeakPolarHBondContact O-CG2 3.36Å; Y7-V11 PolarHBondContact O-N 3.19Å
8S76Confident71.3Confident71 Ų71100.3 Ų100.350%0.49751%0.508SS..Hα-helixtrans-79.7-36.2177.9-51.60000111.5L4 D5 L6 A12L4-S8 WeakPolarHBondContact O-CB 3.32Å; L4-S8 PolarHBondContact O-N 3.2Å; L4-S8 PolarHBondContact O-OG 3.21Å; D5-S8 CarbonylContact O-C 3.6Å; D5-S8 WeakPolarHBondContact O-CA 3.4Å; D5-S8 WeakPolarHBondContact O-CB 3.46Å; D5-S8 PolarHBondContact O-N 3.1Å; L6-S8 PolarHBondContact O-N 3.04Å; S8-A12 WeakPolarHBondContact O-CB 3.28Å; S8-A12 PolarHBondContact O-N 3.31Å
9E70.2Confident71.2Confident103 Ų103100.7 Ų100.748%0.48151%0.511SS..Hα-helixtrans-67.7-46.5176.3-166.9162.2-138.800110.9D5 L6 V11 A12 E13D5-E9 WeakPolarHBondContact O-CB 3.27Å; D5-E9 PolarHBondContact O-N 3.26Å; L6-E9 PolarHBondContact O-N 3.36Å; E9-V11 PolarHBondContact O-N 2.65Å; E9-A12 PolarHBondContact O-N 3.33Å; E9-E13 PolarHBondContact O-N 3.07Å
10I73.3Confident71.1Confident88 Ų88103.1 Ų103.145%0.45152%0.52SS..Hα-helixtrans-61.7-43.3174.5-66.3163.3000111.5L6 E13 D14L6-I10 WeakPolarHBondContact O-CB 3.3Å; L6-I10 WeakPolarHBondContact O-CD1 3.46Å; L6-I10 VanDerWaalsContact O-CG1 3.23Å; L6-I10 WeakPolarHBondContact O-CG1 3.4Å; L6-I10 PolarHBondContact O-N 3.23Å; I10-E13 PolarHBondContact O-N 3.34Å; I10-D14 PolarHBondContact O-N 3.27Å
11V75.4Confident71Confident81 Ų81105.1 Ų105.149%0.49152%0.523SS..Hα-helixtrans-68.3-36.6177.9168.20000111.6Y7 E9 D14 D15Y7-V11 WeakPolarHBondContact O-CB 3.22Å; Y7-V11 WeakPolarHBondContact O-CG2 3.36Å; Y7-V11 PolarHBondContact O-N 3.19Å; E9-V11 PolarHBondContact O-N 2.65Å; V11-D14 PolarHBondContact O-N 3.31Å; V11-D15 WeakPolarHBondContact O-CB 3.5Å; V11-D15 PolarHBondContact O-N 2.96Å
12A73.2Confident71.4Confident49 Ų4999.6 Ų99.641%0.40550%0.496SS..Hα-helixtrans-65.2-45.7174.100000111.6S8 E9 D14 D15 E16S8-A12 WeakPolarHBondContact O-CB 3.28Å; S8-A12 PolarHBondContact O-N 3.31Å; E9-A12 PolarHBondContact O-N 3.33Å; A12-D14 PolarHBondContact O-N 3.27Å; A12-D15 PolarHBondContact O-N 2.96Å; A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 WeakPolarHBondContact O-CG 3.42Å; A12-E16 PolarHBondContact O-N 2.83Å
13E71.6Confident71Confident98 Ų98100.8 Ų100.846%0.45851%0.506SS..Hα-helixtrans-58-44.3174.1-90-164.6-13800112.7E9 I10 K17E9-E13 PolarHBondContact O-N 3.07Å; I10-E13 PolarHBondContact O-N 3.34Å; E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 VanDerWaalsContact O-CD 3.26Å; E13-K17 WeakPolarHBondContact O-CD 3.5Å; E13-K17 WeakPolarHBondContact O-CE 3.47Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.02Å; E13-K17 WeakPolarHBondContact OE2-CE 3.45Å; E13-K17 IonicContact OE2-NZ 3.51Å; E13-K17 PolarHBondContact OE2-NZ 3.39Å
14D74.8Confident71Confident84 Ų8498.6 Ų98.645%0.44950%0.502SS..Hα-helixtrans-68.9-39.2178.8-83-6.1000112.1I10 V11 A12 R18I10-D14 PolarHBondContact O-N 3.27Å; V11-D14 PolarHBondContact O-N 3.31Å; A12-D14 PolarHBondContact O-N 3.27Å; D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 VanDerWaalsContact O-CD 3.26Å; D14-R18 WeakPolarHBondContact O-CD 3.33Å; D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 2.82Å
15D74.9Confident70.7Confident87 Ų8796.1 Ų96.147%0.46549%0.489SS..Hα-helixtrans-71.1-32.5175.7-82.2-19000112.5V11 A12 R18 L19V11-D15 WeakPolarHBondContact O-CB 3.5Å; V11-D15 PolarHBondContact O-N 2.96Å; A12-D15 PolarHBondContact O-N 2.96Å; D15-R18 IonicContact OD1-NH1 2.63Å; D15-R18 PolarHBondContact OD1-NH1 3Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 3.12Å
16E72.5Confident70.8Confident139 Ų13998.8 Ų98.865%0.6550%0.503SS*.Hα-helixtrans-66.4-48.7171.5-77.7-174.1175.300111.8A12 R18 L19 E20A12-E16 WeakPolarHBondContact O-CB 3.48Å; A12-E16 WeakPolarHBondContact O-CG 3.42Å; A12-E16 PolarHBondContact O-N 2.83Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.43Å; E16-L19 WeakPolarHBondContact O-CB 3.15Å; E16-L19 PolarHBondContact O-N 3.37Å; E16-L19 VanDerWaalsContact O-N 3.08Å; E16-E20 PolarHBondContact O-N 3.13Å
17K74.2Confident71Confident103 Ų103100.1 Ų100.145%0.44852%0.515SS..Hα-helixtrans-59.2-38.1175.5-68.3159.8-160.3164.20111.7E13 Y21E13-K17 WeakPolarHBondContact O-CB 3.46Å; E13-K17 VanDerWaalsContact O-CD 3.26Å; E13-K17 WeakPolarHBondContact O-CD 3.5Å; E13-K17 WeakPolarHBondContact O-CE 3.47Å; E13-K17 WeakPolarHBondContact O-CG 3.43Å; E13-K17 PolarHBondContact O-N 3.02Å; E13-K17 WeakPolarHBondContact OE2-CE 3.45Å; E13-K17 IonicContact OE2-NZ 3.51Å; E13-K17 PolarHBondContact OE2-NZ 3.39Å; K17-Y21 WeakPolarHBondContact O-CB 3.44Å; K17-Y21 PolarHBondContact O-N 3.28Å; K17-Y21 VanDerWaalsContact O-N 3.08Å
18R69.1Low71.4Confident136 Ų13696.3 Ų96.351%0.51351%0.51SS..Hα-helixtrans-70.7-35.4175.8-70.7166.783.7-144.85.9112D14 D15 E16 L22D14-R18 VanDerWaalsContact O-CB 3.3Å; D14-R18 WeakPolarHBondContact O-CB 3.45Å; D14-R18 VanDerWaalsContact O-CD 3.26Å; D14-R18 WeakPolarHBondContact O-CD 3.33Å; D14-R18 WeakPolarHBondContact O-CG 3.49Å; D14-R18 PolarHBondContact O-N 2.82Å; D15-R18 IonicContact OD1-NH1 2.63Å; D15-R18 PolarHBondContact OD1-NH1 3Å; D15-R18 VanDerWaalsContact OD1-NH1 3.11Å; E16-R18 VanDerWaalsContact C-N 3.26Å; E16-R18 PolarHBondContact O-N 3.43Å; R18-L22 VanDerWaalsContact O-CB 3.28Å; R18-L22 WeakPolarHBondContact O-CB 3.46Å; R18-L22 WeakPolarHBondContact O-CD1 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.14Å
19L69.2Low71.5Confident108 Ų10897 Ų9757%0.56551%0.505SS*.Hα-helixtrans-67.1-44.6174.5-176.662.9000111.5D15 E16 Y21 L22 C23D15-L19 WeakPolarHBondContact O-CB 3.44Å; D15-L19 PolarHBondContact O-N 3.12Å; E16-L19 WeakPolarHBondContact O-CB 3.15Å; E16-L19 PolarHBondContact O-N 3.37Å; E16-L19 VanDerWaalsContact O-N 3.08Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.35Å; L19-L22 PolarHBondContact O-N 2.99Å; L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.32Å; L19-C23 PolarHBondContact O-SG 2.99Å; L19-C23 VanDerWaalsContact O-SG 3.39Å
20E68.1Low71.8Confident147 Ų14794.9 Ų94.969%0.68750%0.495SS*.Hα-helixtrans-60.8-42.8176.5-172.5171.9-140.800111.7E16 C23 S24E16-E20 PolarHBondContact O-N 3.13Å; E20-C23 PolarHBondContact O-N 3.41Å; E20-S24 PolarHBondContact O-N 2.96Å; E20-S24 PolarHBondContact O-OG 3.03Å
21Y68.9Low72.2Confident146 Ų14694.5 Ų94.557%0.57350%0.496SS*.Hα-helixtrans-63.4-46172-177.2-111.7000112.4K17 L19 C23 S24 L25K17-Y21 WeakPolarHBondContact O-CB 3.44Å; K17-Y21 PolarHBondContact O-N 3.28Å; K17-Y21 VanDerWaalsContact O-N 3.08Å; L19-Y21 VanDerWaalsContact C-N 3.35Å; L19-Y21 PolarHBondContact O-N 3.35Å; Y21-C23 VanDerWaalsContact C-N 3.26Å; Y21-C23 PolarHBondContact O-N 2.87Å; Y21-S24 WeakPolarHBondContact CA-OG 3.42Å; Y21-S24 PolarHBondContact O-N 3.24Å; Y21-S24 PolarHBondContact O-OG 3.2Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å; Y21-L25 HydrophobicContact CD1-CD1 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.87Å; Y21-L25 HydrophobicContact CE1-CD2 4.5Å; Y21-L25 HydrophobicContact CE1-CG 4.37Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.45Å; Y21-L25 PolarHBondContact O-N 3.18Å
22L62.1Low72.6Confident46 Ų4697.1 Ų97.124%0.24150%0.497CS..Hα-helixtrans-66.9-24.8179.6-74.6168.9000113.8R18 L19 L25 H30R18-L22 VanDerWaalsContact O-CB 3.28Å; R18-L22 WeakPolarHBondContact O-CB 3.46Å; R18-L22 WeakPolarHBondContact O-CD1 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.49Å; R18-L22 PolarHBondContact O-N 3.14Å; L19-L22 PolarHBondContact O-N 2.99Å; L22-L25 HydrophobicContact CD2-CD1 4.36Å; L22-H30 PolarHBondContact O-ND1 3.03Å
23C63.4Low72.9Confident101 Ų10196.1 Ų96.168%0.68249%0.488SS*.Hα-helixtrans-85.7-15.3175.2-74.90000114.2L19 E20 Y21L19-C23 WeakPolarHBondContact O-CB 3.38Å; L19-C23 PolarHBondContact O-N 3.32Å; L19-C23 PolarHBondContact O-SG 2.99Å; L19-C23 VanDerWaalsContact O-SG 3.39Å; E20-C23 PolarHBondContact O-N 3.41Å; Y21-C23 VanDerWaalsContact C-N 3.26Å; Y21-C23 PolarHBondContact O-N 2.87Å
24S68.2Low73.6Confident89 Ų8995.5 Ų95.562%0.62249%0.487SS*.Hα-helixtrans-98.7-6.4176.345.50000113.7E20 Y21E20-S24 PolarHBondContact O-N 2.96Å; E20-S24 PolarHBondContact O-OG 3.03Å; Y21-S24 WeakPolarHBondContact CA-OG 3.42Å; Y21-S24 PolarHBondContact O-N 3.24Å; Y21-S24 PolarHBondContact O-OG 3.2Å; Y21-S24 VanDerWaalsContact O-OG 3.08Å
25L64.2Low74.2Confident29 Ų2997.7 Ų97.715%0.15250%0.495CS..SBendtrans-78.7132.1170.9-72.3175.7000112.2Y21 L22 E29 H30Y21-L25 HydrophobicContact CD1-CD1 4.28Å; Y21-L25 HydrophobicContact CE1-CD1 3.87Å; Y21-L25 HydrophobicContact CE1-CD2 4.5Å; Y21-L25 HydrophobicContact CE1-CG 4.37Å; Y21-L25 HydrophobicContact CE2-CD2 4.28Å; Y21-L25 WeakPolarHBondContact O-CG 3.45Å; Y21-L25 PolarHBondContact O-N 3.18Å; L22-L25 HydrophobicContact CD2-CD1 4.36Å; L25-E29 HydrophobicContact CB-CB 4.2Å; L25-E29 HydrophobicContact CD2-CB 3.9Å; L25-E29 HydrophobicContact CG-CB 4.5Å; L25-H30 HydrophobicContact CB-CB 4.21Å
26D75.8Confident74.9Confident125 Ų12598.2 Ų98.267%0.66850%0.501SS*.  trans-59.2147.1167.1-118.4-26.2000110.8P28 E29 H30D26-P28 VanDerWaalsContact C-CD 3.46Å; D26-P28 VanDerWaalsContact C-N 3.35Å; D26-P28 VanDerWaalsContact O-N 3.13Å; D26-E29 HydrophobicContact CB-CG 4.01Å; D26-E29 WeakPolarHBondContact O-CA 3.39Å; D26-E29 VanDerWaalsContact O-CB 3.3Å; D26-E29 WeakPolarHBondContact O-CB 3.44Å; D26-E29 PolarHBondContact O-N 3.16Å; D26-H30 PolarHBondContact O-N 3.49Å
27V75.1Confident75.7Confident110 Ų11095 Ų9567%0.66749%0.486SS*.Hα-helixtrans-52.2-41.8-171-177.60000113.9E29 H30 V31V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 3.29Å; V27-H30 PolarHBondContact O-N 3.33Å; V27-V31 WeakPolarHBondContact O-CG2 3.44Å; V27-V31 PolarHBondContact O-N 3.36Å
28P78.9Confident76.4Confident83 Ų8392.8 Ų92.854%0.53948%0.484SS..Hα-helixtrans-68.9-21.9175.7-19.434000114.7D26 R32D26-P28 VanDerWaalsContact C-CD 3.46Å; D26-P28 VanDerWaalsContact C-N 3.35Å; D26-P28 VanDerWaalsContact O-N 3.13Å; P28-R32 WeakPolarHBondContact O-CG 3.45Å; P28-R32 PolarHBondContact O-N 2.93Å; P28-R32 PolarHBondContact O-NE 3.39Å
29E78.3Confident77.4Confident86 Ų8689.7 Ų89.740%0.40248%0.483SS..Hα-helixtrans-79.4-45.3174.2-50.2-116.9108.400110L25 D26 V27 V31 R32 S33L25-E29 HydrophobicContact CB-CB 4.2Å; L25-E29 HydrophobicContact CD2-CB 3.9Å; L25-E29 HydrophobicContact CG-CB 4.5Å; D26-E29 HydrophobicContact CB-CG 4.01Å; D26-E29 WeakPolarHBondContact O-CA 3.39Å; D26-E29 VanDerWaalsContact O-CB 3.3Å; D26-E29 WeakPolarHBondContact O-CB 3.44Å; D26-E29 PolarHBondContact O-N 3.16Å; V27-E29 VanDerWaalsContact C-N 3.29Å; V27-E29 PolarHBondContact O-N 3.29Å; E29-V31 VanDerWaalsContact C-N 3.31Å; E29-V31 PolarHBondContact O-N 2.99Å; E29-R32 PolarHBondContact O-N 3.29Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NH1 3.56Å; E29-R32 IonicContact OE1-NH2 3.43Å; E29-R32 PolarHBondContact OE1-NH2 2.93Å; E29-S33 PolarHBondContact O-N 3.35Å
30H76.8Confident78.4Confident58 Ų5890.6 Ų90.627%0.26949%0.488SS..Hα-helixtrans-57.2-43.2174.6-170.2111.5000111.3L22 L25 D26 V27 S33 L34L22-H30 PolarHBondContact O-ND1 3.03Å; L25-H30 HydrophobicContact CB-CB 4.21Å; D26-H30 PolarHBondContact O-N 3.49Å; V27-H30 PolarHBondContact O-N 3.33Å; H30-S33 WeakPolarHBondContact O-CB 3.28Å; H30-S33 PolarHBondContact O-N 3.31Å; H30-L34 WeakPolarHBondContact O-CG 3.46Å; H30-L34 PolarHBondContact O-N 3.45Å
31V81.4Confident79.6Confident79 Ų7988.5 Ų88.548%0.47948%0.481SS..Hα-helixtrans-63.9-41.9174.8171.10000112.3V27 E29 L34 Q35V27-V31 WeakPolarHBondContact O-CG2 3.44Å; V27-V31 PolarHBondContact O-N 3.36Å; E29-V31 VanDerWaalsContact C-N 3.31Å; E29-V31 PolarHBondContact O-N 2.99Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-Q35 WeakPolarHBondContact O-CB 3.3Å; V31-Q35 PolarHBondContact O-N 3.3Å
32R83.2Confident80.7Confident136 Ų13687.1 Ų87.151%0.51348%0.48SS..Hα-helixtrans-63.5-39.7175.1-81.2179.2-74.4151.4-2.4112.1P28 E29 Q35 T36P28-R32 WeakPolarHBondContact O-CG 3.45Å; P28-R32 PolarHBondContact O-N 2.93Å; P28-R32 PolarHBondContact O-NE 3.39Å; E29-R32 PolarHBondContact O-N 3.29Å; E29-R32 VanDerWaalsContact O-N 3.13Å; E29-R32 IonicContact OE1-CZ 2.65Å; E29-R32 IonicContact OE1-NH1 3.56Å; E29-R32 IonicContact OE1-NH2 3.43Å; E29-R32 PolarHBondContact OE1-NH2 2.93Å; R32-Q35 PolarHBondContact O-N 2.92Å; R32-T36 WeakPolarHBondContact O-CB 3.44Å; R32-T36 PolarHBondContact O-N 3.2Å; R32-T36 PolarHBondContact O-OG1 3.18Å
33S80Confident82.1Confident29 Ų2987.7 Ų87.720%0.20349%0.491CS..Hα-helixtrans-61.3-50.1174.7-175.40000111.6E29 H30 Q35 T36 Q37E29-S33 PolarHBondContact O-N 3.35Å; H30-S33 WeakPolarHBondContact O-CB 3.28Å; H30-S33 PolarHBondContact O-N 3.31Å; S33-Q35 PolarHBondContact O-N 2.89Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-Q37 WeakPolarHBondContact O-CG 3.26Å; S33-Q37 PolarHBondContact O-N 2.92Å; S33-Q37 PolarHBondContact OG-NE2 3.39Å
34L85.6Confident83.4Confident85 Ų8588 Ų8845%0.44548%0.482SS..Hα-helixtrans-60.7-40.9175.6-71.4178.4000112.8H30 V31 T36 Q37 S38H30-L34 WeakPolarHBondContact O-CG 3.46Å; H30-L34 PolarHBondContact O-N 3.45Å; V31-L34 PolarHBondContact O-N 2.8Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.41Å; L34-Q37 PolarHBondContact O-N 3.4Å; L34-S38 PolarHBondContact O-N 2.92Å
35Q87.9Confident84.5Confident129 Ų12987.8 Ų87.860%0.60348%0.477SS*.Hα-helixtrans-63.2-40.5176.5-173.6175.40.200111.5V31 R32 S33 S38 S39V31-Q35 WeakPolarHBondContact O-CB 3.3Å; V31-Q35 PolarHBondContact O-N 3.3Å; R32-Q35 PolarHBondContact O-N 2.92Å; S33-Q35 PolarHBondContact O-N 2.89Å; Q35-S38 PolarHBondContact O-N 3.48Å; Q35-S39 PolarHBondContact O-N 2.95Å; Q35-S39 PolarHBondContact O-OG 3.16Å; Q35-S39 VanDerWaalsContact O-OG 3.14Å
36T90.1Very high85.8Confident98 Ų9893.1 Ų93.160%0.60150%0.501SS*.Hα-helixtrans-66.3-43177.4-56.60000111.3R32 S33 L34 S38 S39 L40R32-T36 WeakPolarHBondContact O-CB 3.44Å; R32-T36 PolarHBondContact O-N 3.2Å; R32-T36 PolarHBondContact O-OG1 3.18Å; S33-T36 PolarHBondContact O-N 2.97Å; L34-T36 VanDerWaalsContact C-N 3.33Å; L34-T36 PolarHBondContact O-N 3.41Å; T36-S38 VanDerWaalsContact C-N 3.35Å; T36-S38 PolarHBondContact O-N 2.89Å; T36-S39 PolarHBondContact O-N 3.41Å; T36-L40 PolarHBondContact O-N 2.82Å
37Q88.5Confident86.5Confident71 Ų7190.1 Ų90.133%0.33249%0.494SS..Hα-helixtrans-63.2-38.7174.2-69.3178.837.300112.1S33 L34 L40 L41S33-Q37 WeakPolarHBondContact O-CG 3.26Å; S33-Q37 PolarHBondContact O-N 2.92Å; S33-Q37 PolarHBondContact OG-NE2 3.39Å; L34-Q37 PolarHBondContact O-N 3.4Å; Q37-L40 PolarHBondContact O-N 3.42Å; Q37-L41 WeakPolarHBondContact O-CB 3.17Å; Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.46Å; Q37-L41 PolarHBondContact O-N 3.42Å
38S88.8Confident87.3Confident57 Ų5789.3 Ų89.340%0.39949%0.485SS..Hα-helixtrans-62.6-46.6175.2-161.90000111.7L34 Q35 T36 L40 L41 E42L34-S38 PolarHBondContact O-N 2.92Å; Q35-S38 PolarHBondContact O-N 3.48Å; T36-S38 VanDerWaalsContact C-N 3.35Å; T36-S38 PolarHBondContact O-N 2.89Å; S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 2.98Å; S38-L41 PolarHBondContact O-N 3.13Å; S38-E42 WeakPolarHBondContact O-CG 3.26Å; S38-E42 PolarHBondContact O-N 2.63Å
39S89.9Confident87.9Confident72 Ų7290.3 Ų90.350%0.50349%0.486SS..Hα-helixtrans-60.3-40.1176.7-610000112.6Q35 T36 E42 A43Q35-S39 PolarHBondContact O-N 2.95Å; Q35-S39 PolarHBondContact O-OG 3.16Å; Q35-S39 VanDerWaalsContact O-OG 3.14Å; T36-S39 PolarHBondContact O-N 3.41Å; S39-E42 PolarHBondContact O-N 3.13Å; S39-A43 PolarHBondContact O-N 2.87Å; S39-A43 VanDerWaalsContact O-N 3.08Å
40L91.6Very high88.5Confident126 Ų12689 Ų8966%0.6649%0.49SS*.Hα-helixtrans-65-45176.6-176.164.8000111.8T36 Q37 S38 E42 A43 E44T36-L40 PolarHBondContact O-N 2.82Å; Q37-L40 PolarHBondContact O-N 3.42Å; S38-L40 VanDerWaalsContact C-N 3.33Å; S38-L40 PolarHBondContact O-N 2.98Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.36Å; L40-A43 PolarHBondContact O-N 3.28Å; L40-E44 PolarHBondContact O-N 3.03Å
41L92.2Very high89.2Confident104 Ų10490 Ų9055%0.54549%0.494SS..Hα-helixtrans-66.7-33.4177.3-70.7168.6000112.5Q37 S38 V45Q37-L41 WeakPolarHBondContact O-CB 3.17Å; Q37-L41 VanDerWaalsContact O-CG 3.3Å; Q37-L41 WeakPolarHBondContact O-CG 3.46Å; Q37-L41 PolarHBondContact O-N 3.42Å; S38-L41 PolarHBondContact O-N 3.13Å; L41-V45 WeakPolarHBondContact O-CB 3.3Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.24Å; L41-V45 PolarHBondContact O-N 3.17Å
42E91.7Very high89.7Confident117 Ų11789.9 Ų89.955%0.54749%0.494SS..Hα-helixtrans-67.6-42.4174.2-75.8-178.7-165.300111.8S38 S39 L40 V45 E46S38-E42 WeakPolarHBondContact O-CG 3.26Å; S38-E42 PolarHBondContact O-N 2.63Å; S39-E42 PolarHBondContact O-N 3.13Å; L40-E42 VanDerWaalsContact C-N 3.34Å; L40-E42 PolarHBondContact O-N 3.36Å; E42-V45 PolarHBondContact O-N 3.04Å; E42-E46 PolarHBondContact O-N 3.22Å
43A91.5Very high90Very high57 Ų5785.6 Ų85.647%0.47149%0.485SS..Hα-helixtrans-63.6-40.2173.500000112.6S39 L40 E46 A47S39-A43 PolarHBondContact O-N 2.87Å; S39-A43 VanDerWaalsContact O-N 3.08Å; L40-A43 PolarHBondContact O-N 3.28Å; A43-E46 PolarHBondContact O-N 3.46Å; A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.14Å
44E92.1Very high90.6Very high109 Ų10990.7 Ų90.751%0.50950%0.499SS..Hα-helixtrans-63.8-44.4174.3-166.8-169.8169.500111.4L40 E46 A47 L48L40-E44 PolarHBondContact O-N 3.03Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.34Å; E44-A47 PolarHBondContact O-N 3.18Å; E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.37Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.39Å; E44-L48 PolarHBondContact O-N 2.96Å
45V91.5Very high90.9Very high83 Ų8390.5 Ų90.550%0.50350%0.498SS..Hα-helixtrans-61.9-38.3177165.90000111.7L41 E42 N49L41-V45 WeakPolarHBondContact O-CB 3.3Å; L41-V45 VanDerWaalsContact O-CG2 3.24Å; L41-V45 WeakPolarHBondContact O-CG2 3.24Å; L41-V45 PolarHBondContact O-N 3.17Å; E42-V45 PolarHBondContact O-N 3.04Å; V45-N49 VanDerWaalsContact O-CB 3.24Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 PolarHBondContact O-N 3.33Å
46E91.5Very high91.1Very high142 Ų14289.3 Ų89.366%0.66449%0.493SS*.Hα-helixtrans-66.5-46.3173.6-178.2161.4-151.900112E42 A43 E44 L48 N49 A50E42-E46 PolarHBondContact O-N 3.22Å; A43-E46 PolarHBondContact O-N 3.46Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.34Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 3.33Å; E46-N49 PolarHBondContact O-N 2.9Å; E46-N49 VanDerWaalsContact O-N 3.17Å; E46-A50 PolarHBondContact O-N 3.08Å
47A90.2Very high91.1Very high62 Ų6291.6 Ų91.651%0.51249%0.494SS..Hα-helixtrans-60.3-42.317700000112.3A43 E44 A50 H51A43-A47 WeakPolarHBondContact O-CB 3.07Å; A43-A47 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 3.18Å; A47-A50 PolarHBondContact O-N 3.21Å; A47-H51 WeakPolarHBondContact O-CB 3.47Å; A47-H51 PolarHBondContact O-N 3.46Å
48L92Very high91.2Very high93 Ų9392.8 Ų92.849%0.48750%0.5SS..Hα-helixtrans-64.9-41174.2-73171.3000111.8E44 E46 H51 V52E44-L48 HydrophobicContact CG-CD1 4.02Å; E44-L48 HydrophobicContact CG-CG 4.37Å; E44-L48 WeakPolarHBondContact O-CB 3.48Å; E44-L48 VanDerWaalsContact O-CG 3.3Å; E44-L48 WeakPolarHBondContact O-CG 3.39Å; E44-L48 PolarHBondContact O-N 2.96Å; E46-L48 VanDerWaalsContact C-N 3.35Å; E46-L48 PolarHBondContact O-N 3.33Å; L48-H51 WeakPolarHBondContact O-CB 3.24Å; L48-H51 PolarHBondContact O-N 2.92Å; L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.32Å
49N91.9Very high91.4Very high103 Ų10397 Ų9755%0.55151%0.507SS*.Hα-helixtrans-65.7-39176.6-175.248.8000112.1V45 E46 H51 S53V45-N49 VanDerWaalsContact O-CB 3.24Å; V45-N49 WeakPolarHBondContact O-CB 3.44Å; V45-N49 PolarHBondContact O-N 3.33Å; E46-N49 PolarHBondContact O-N 2.9Å; E46-N49 VanDerWaalsContact O-N 3.17Å; N49-H51 VanDerWaalsContact C-N 3.35Å; N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.42Å; N49-S53 PolarHBondContact O-N 3.08Å; N49-S53 PolarHBondContact O-OG 3.33Å
50A90.9Very high91.5Very high59 Ų5997.3 Ų97.349%0.48850%0.502SS..Hα-helixtrans-63.7-39.9171.100000111.7E46 A47 S53 R54E46-A50 PolarHBondContact O-N 3.08Å; A47-A50 PolarHBondContact O-N 3.21Å; A50-S53 WeakPolarHBondContact O-CB 3.44Å; A50-S53 PolarHBondContact O-N 3.27Å; A50-R54 PolarHBondContact O-N 2.9Å
51H90.8Very high91.4Very high79 Ų7995 Ų9537%0.36649%0.494SS..Hα-helixtrans-65.6-45176.5-166.7-105.1000112.6A47 L48 N49 S53 R54 L55A47-H51 WeakPolarHBondContact O-CB 3.47Å; A47-H51 PolarHBondContact O-N 3.46Å; L48-H51 WeakPolarHBondContact O-CB 3.24Å; L48-H51 PolarHBondContact O-N 2.92Å; N49-H51 VanDerWaalsContact C-N 3.35Å; H51-S53 VanDerWaalsContact C-N 3.33Å; H51-S53 PolarHBondContact O-N 3.37Å; H51-R54 PolarHBondContact CD2-NH2 3.08Å; H51-R54 PolarHBondContact NE2-NH2 2.89Å; H51-R54 WeakPolarHBondContact O-CB 3.49Å; H51-R54 PolarHBondContact O-N 3.3Å; H51-L55 WeakPolarHBondContact O-CG 3.19Å; H51-L55 PolarHBondContact O-N 3.33Å
52V91.7Very high91.4Very high77 Ų7795.5 Ų95.547%0.46750%0.496SS..Hα-helixtrans-58.8-46.4172.5170.20000110.4L48 R54 L55 E56L48-V52 WeakPolarHBondContact O-CG2 3.4Å; L48-V52 PolarHBondContact O-N 3.32Å; V52-R54 PolarHBondContact O-N 2.9Å; V52-L55 PolarHBondContact O-N 3.08Å; V52-L55 VanDerWaalsContact O-N 3.12Å; V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 WeakPolarHBondContact O-CG 3.41Å; V52-E56 PolarHBondContact O-N 2.79Å
53S90.5Very high91.4Very high46 Ų4693.1 Ų93.132%0.32249%0.487SS..Hα-helixtrans-60.2-31.3177.3-62.70000113.4N49 A50 H51 K57N49-S53 VanDerWaalsContact O-CB 3.32Å; N49-S53 WeakPolarHBondContact O-CB 3.42Å; N49-S53 PolarHBondContact O-N 3.08Å; N49-S53 PolarHBondContact O-OG 3.33Å; A50-S53 WeakPolarHBondContact O-CB 3.44Å; A50-S53 PolarHBondContact O-N 3.27Å; H51-S53 VanDerWaalsContact C-N 3.33Å; H51-S53 PolarHBondContact O-N 3.37Å; S53-K57 WeakPolarHBondContact O-CD 3.39Å; S53-K57 VanDerWaalsContact O-CG 3.29Å; S53-K57 WeakPolarHBondContact O-CG 3.46Å; S53-K57 PolarHBondContact O-N 3.2Å
54R92.2Very high91.2Very high135 Ų13593.2 Ų93.251%0.50949%0.487SS..Hα-helixtrans-70.5-50.3171.3-178.5174.772-175.45.4111.4A50 H51 V52 E56 K57 E58A50-R54 PolarHBondContact O-N 2.9Å; H51-R54 PolarHBondContact CD2-NH2 3.08Å; H51-R54 PolarHBondContact NE2-NH2 2.89Å; H51-R54 WeakPolarHBondContact O-CB 3.49Å; H51-R54 PolarHBondContact O-N 3.3Å; V52-R54 PolarHBondContact O-N 2.9Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 3.39Å; R54-K57 WeakPolarHBondContact O-CB 3.33Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.14Å; R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 PolarHBondContact O-N 3.49Å
55L92.4Very high91.2Very high82 Ų8293.6 Ų93.643%0.42949%0.487SS..Hα-helixtrans-61-34.7179.5-69.6176000112.7H51 V52 R59H51-L55 WeakPolarHBondContact O-CG 3.19Å; H51-L55 PolarHBondContact O-N 3.33Å; V52-L55 PolarHBondContact O-N 3.08Å; V52-L55 VanDerWaalsContact O-N 3.12Å; L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3Å
56E90.5Very high91.2Very high103 Ų10395.5 Ų95.548%0.48149%0.489SS..Hα-helixtrans-66.7-40.9174.5-70.1-144.612600112.6V52 R54 R59 L60V52-E56 HydrophobicContact CG1-CG 4.37Å; V52-E56 WeakPolarHBondContact O-CG 3.41Å; V52-E56 PolarHBondContact O-N 2.79Å; R54-E56 VanDerWaalsContact C-N 3.29Å; R54-E56 PolarHBondContact O-N 3.39Å; E56-R59 PolarHBondContact O-N 2.94Å; E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.41Å
57K90.6Very high91.1Very high147 Ų14792 Ų9264%0.63948%0.475SS*.Hα-helixtrans-62-46.8174.2-69.7166.6-174.4174.80110.9S53 R54 R59 L60 V61S53-K57 WeakPolarHBondContact O-CD 3.39Å; S53-K57 VanDerWaalsContact O-CG 3.29Å; S53-K57 WeakPolarHBondContact O-CG 3.46Å; S53-K57 PolarHBondContact O-N 3.2Å; R54-K57 WeakPolarHBondContact O-CB 3.33Å; R54-K57 PolarHBondContact O-N 3.45Å; R54-K57 VanDerWaalsContact O-N 3.14Å; K57-R59 PolarHBondContact O-N 2.91Å; K57-L60 PolarHBondContact O-N 3.04Å; K57-V61 WeakPolarHBondContact O-CG2 3.5Å; K57-V61 PolarHBondContact O-N 3.49Å; K57-V61 VanDerWaalsContact O-N 3.08Å
58E91Very high91Very high95 Ų9595.1 Ų95.144%0.44448%0.479SS..Hα-helixtrans-61.2-44.3176.1-71.4174.3-159.600112.1R54 L60 V61 L62R54-E58 WeakPolarHBondContact CG-OE1 3.4Å; R54-E58 PolarHBondContact O-N 3.49Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.08Å; E58-V61 PolarHBondContact O-N 3.37Å; E58-V61 VanDerWaalsContact O-N 3.17Å; E58-L62 WeakPolarHBondContact O-CG 3.33Å; E58-L62 PolarHBondContact O-N 3.32Å
59R92.8Very high90.9Very high146 Ų14695.1 Ų95.155%0.55148%0.478SS*.Hα-helixtrans-58.6-41.1175.4175176.4167.8-88.3-0.8112.3L55 E56 K57 L62 I63L55-R59 WeakPolarHBondContact O-CB 3.46Å; L55-R59 PolarHBondContact O-N 3Å; E56-R59 PolarHBondContact O-N 2.94Å; K57-R59 PolarHBondContact O-N 2.91Å; R59-L62 PolarHBondContact O-N 3.17Å; R59-I63 HydrophobicContact CG-CD1 4.17Å; R59-I63 VanDerWaalsContact O-CG1 3.29Å; R59-I63 WeakPolarHBondContact O-CG1 3.47Å; R59-I63 PolarHBondContact O-N 3.43Å
60L91Very high90.7Very high78 Ų7892.8 Ų92.841%0.40847%0.468SS..Hα-helixtrans-66-40.7175.4-71.8171000112.1E56 K57 E58 I63 A64E56-L60 WeakPolarHBondContact O-CG 3.38Å; E56-L60 PolarHBondContact O-N 3.41Å; K57-L60 PolarHBondContact O-N 3.04Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 3.35Å; L60-A64 PolarHBondContact O-N 3.28Å
61V91.2Very high90.5Very high78 Ų7894 Ų9447%0.47347%0.466SS..Hα-helixtrans-63.4-40.3174.2171.90000111.6K57 E58 A64 K65K57-V61 WeakPolarHBondContact O-CG2 3.5Å; K57-V61 PolarHBondContact O-N 3.49Å; K57-V61 VanDerWaalsContact O-N 3.08Å; E58-V61 PolarHBondContact O-N 3.37Å; E58-V61 VanDerWaalsContact O-N 3.17Å; V61-A64 PolarHBondContact O-N 2.93Å; V61-K65 HydrophobicContact CG1-CD 4.28Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 2.95Å
62L91.8Very high90.4Very high114 Ų11493.9 Ų93.960%0.59747%0.468SS*.Hα-helixtrans-66.9-36.8176.7-71.6171.9000112.6E58 R59 K65 K66E58-L62 WeakPolarHBondContact O-CG 3.33Å; E58-L62 PolarHBondContact O-N 3.32Å; R59-L62 PolarHBondContact O-N 3.17Å; L62-K65 PolarHBondContact O-N 2.95Å; L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 3.12Å
63I90.4Very high90.2Very high68 Ų6897.1 Ų97.135%0.34948%0.476SS..Hα-helixtrans-62.7-48.4172.4-69.7163000110.3R59 L60 K65 K66 D67R59-I63 HydrophobicContact CG-CD1 4.17Å; R59-I63 VanDerWaalsContact O-CG1 3.29Å; R59-I63 WeakPolarHBondContact O-CG1 3.47Å; R59-I63 PolarHBondContact O-N 3.43Å; L60-I63 PolarHBondContact O-N 3.35Å; I63-K65 PolarHBondContact O-N 3.28Å; I63-K66 WeakPolarHBondContact O-CB 3.49Å; I63-K66 PolarHBondContact O-N 3.46Å; I63-D67 PolarHBondContact O-N 3.33Å
64A88.8Confident89.9Confident58 Ų58101.2 Ų101.248%0.47949%0.488SS..Hα-helixtrans-60.2-42.217800000112.6L60 V61 D67 Q68L60-A64 PolarHBondContact O-N 3.28Å; V61-A64 PolarHBondContact O-N 2.93Å; A64-D67 PolarHBondContact O-N 2.95Å; A64-Q68 WeakPolarHBondContact O-CB 3.03Å; A64-Q68 PolarHBondContact O-N 3.11Å
65K92.5Very high89.6Confident117 Ų117101.8 Ų101.851%0.50949%0.49SS..Hα-helixtrans-63.2-42.8174.1-74.9178.7178.8179.60112.3V61 L62 I63 D67 Q68 I69V61-K65 HydrophobicContact CG1-CD 4.28Å; V61-K65 WeakPolarHBondContact O-CG 3.3Å; V61-K65 PolarHBondContact O-N 2.95Å; L62-K65 PolarHBondContact O-N 2.95Å; I63-K65 PolarHBondContact O-N 3.28Å; K65-D67 PolarHBondContact O-N 3.45Å; K65-Q68 PolarHBondContact O-N 2.98Å; K65-I69 WeakPolarHBondContact O-CD1 3.39Å; K65-I69 VanDerWaalsContact O-CG1 3.27Å; K65-I69 WeakPolarHBondContact O-CG1 3.37Å; K65-I69 PolarHBondContact O-N 3.05Å
66K91.4Very high89.5Confident124 Ų124102.7 Ų102.754%0.53950%0.495SS..Hα-helixtrans-58.6-47.1175.6175.4-165.8151.7-820111.1L62 I63 I69 T70L62-K66 WeakPolarHBondContact O-CB 3.32Å; L62-K66 PolarHBondContact O-N 3.12Å; I63-K66 WeakPolarHBondContact O-CB 3.49Å; I63-K66 PolarHBondContact O-N 3.46Å; K66-I69 PolarHBondContact O-N 3.38Å; K66-T70 WeakPolarHBondContact O-CB 3.42Å; K66-T70 PolarHBondContact O-N 3.35Å; K66-T70 PolarHBondContact O-OG1 3.15Å
67D88Confident89.4Confident69 Ų6998.2 Ų98.237%0.36948%0.476SS..Hα-helixtrans-70.1-36.3-175.7-63.8-15.4000110.7I63 A64 K65 T70 D71I63-D67 PolarHBondContact O-N 3.33Å; A64-D67 PolarHBondContact O-N 2.95Å; K65-D67 PolarHBondContact O-N 3.45Å; D67-T70 WeakPolarHBondContact O-CB 3.36Å; D67-T70 PolarHBondContact O-N 2.87Å; D67-D71 PolarHBondContact O-N 3Å
68Q88.5Confident89.2Confident127 Ų12795 Ų9559%0.59347%0.466SS*.Hα-helixtrans-61-43.1169.4-173.1-173.721.800113.2A64 K65 T70 N72A64-Q68 WeakPolarHBondContact O-CB 3.03Å; A64-Q68 PolarHBondContact O-N 3.11Å; K65-Q68 PolarHBondContact O-N 2.98Å; Q68-T70 VanDerWaalsContact C-N 3.29Å; Q68-N72 PolarHBondContact O-N 2.83Å; Q68-N72 PolarHBondContact O-ND2 3.38Å
69I90Very high88.9Confident93 Ų9392.6 Ų92.648%0.47746%0.462SS..Hα-helixtrans-63.2-40.2175.3-71.7164.3000110.2K65 K66 N72 F73K65-I69 WeakPolarHBondContact O-CD1 3.39Å; K65-I69 VanDerWaalsContact O-CG1 3.27Å; K65-I69 WeakPolarHBondContact O-CG1 3.37Å; K65-I69 PolarHBondContact O-N 3.05Å; K66-I69 PolarHBondContact O-N 3.38Å; I69-N72 PolarHBondContact O-N 2.9Å; I69-F73 HydrophobicContact CG2-CD2 3.78Å; I69-F73 HydrophobicContact CG2-CE2 3.63Å; I69-F73 VanDerWaalsContact O-CD2 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.42Å; I69-F73 PolarHBondContact O-N 2.89Å
70T87.9Confident88.7Confident54 Ų5488.5 Ų88.533%0.33146%0.455SS..Hα-helixtrans-62.7-47.2178.8-53.70000111.3K66 D67 Q68 N72 F73 F74K66-T70 WeakPolarHBondContact O-CB 3.42Å; K66-T70 PolarHBondContact O-N 3.35Å; K66-T70 PolarHBondContact O-OG1 3.15Å; D67-T70 WeakPolarHBondContact O-CB 3.36Å; D67-T70 PolarHBondContact O-N 2.87Å; Q68-T70 VanDerWaalsContact C-N 3.29Å; T70-N72 PolarHBondContact O-N 3.29Å; T70-F73 PolarHBondContact O-N 3.36Å; T70-F74 HydrophobicContact CG2-CD2 4Å; T70-F74 HydrophobicContact CG2-CE2 3.75Å; T70-F74 WeakPolarHBondContact O-CD2 3.46Å; T70-F74 PolarHBondContact O-N 2.92Å
71D86.3Confident88.4Confident85 Ų8588 Ų8846%0.45545%0.448SS..Hα-helixtrans-62.7-40.1175.4-179.261.8000112.6D67 F73 F74 R75D67-D71 PolarHBondContact O-N 3Å; D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.02Å; D71-F74 PolarHBondContact O-N 2.98Å; D71-R75 WeakPolarHBondContact O-CB 3.23Å; D71-R75 VanDerWaalsContact O-CG 3.31Å; D71-R75 WeakPolarHBondContact O-CG 3.44Å; D71-R75 PolarHBondContact O-N 3.36Å; D71-R75 WeakPolarHBondContact OD2-CD 3.39Å
72N88Confident88.3Confident76 Ų7691.9 Ų91.941%0.40645%0.454SS..Hα-helixtrans-60.2-39.9174.2-75.8-35.2000112.3Q68 I69 T70 R75 L76Q68-N72 PolarHBondContact O-N 2.83Å; Q68-N72 PolarHBondContact O-ND2 3.38Å; I69-N72 PolarHBondContact O-N 2.9Å; T70-N72 PolarHBondContact O-N 3.29Å; N72-R75 PolarHBondContact O-N 2.95Å; N72-R75 PolarHBondContact OD1-NH1 3.06Å; N72-L76 WeakPolarHBondContact O-CB 3.43Å; N72-L76 PolarHBondContact O-N 3.24Å
73F87.7Confident88.1Confident144 Ų14490.8 Ų90.863%0.63245%0.446SS*.Hα-helixtrans-67.1-40.2173.9-83-65.3000112.7I69 T70 D71 L76 G77I69-F73 HydrophobicContact CG2-CD2 3.78Å; I69-F73 HydrophobicContact CG2-CE2 3.63Å; I69-F73 VanDerWaalsContact O-CD2 3.28Å; I69-F73 WeakPolarHBondContact O-CD2 3.42Å; I69-F73 PolarHBondContact O-N 2.89Å; T70-F73 PolarHBondContact O-N 3.36Å; D71-F73 VanDerWaalsContact C-N 3.32Å; D71-F73 PolarHBondContact O-N 3.02Å; F73-L76 PolarHBondContact O-N 3.38Å; F73-G77 PolarHBondContact O-N 3.33Å
74F85Confident88Confident132 Ų13291.2 Ų91.258%0.57945%0.448SS*.Hα-helixtrans-60.7-45173.3-84.4-66.6000111.9T70 D71 G77 L78T70-F74 HydrophobicContact CG2-CD2 4Å; T70-F74 HydrophobicContact CG2-CE2 3.75Å; T70-F74 WeakPolarHBondContact O-CD2 3.46Å; T70-F74 PolarHBondContact O-N 2.92Å; D71-F74 PolarHBondContact O-N 2.98Å; F74-G77 PolarHBondContact O-N 2.95Å; F74-L78 WeakPolarHBondContact O-CG 3.44Å; F74-L78 PolarHBondContact O-N 2.97Å
75R85.3Confident87.8Confident148 Ų14894.2 Ų94.256%0.55845%0.452SS*.Hα-helixtrans-65.4-38.4177.8-70.4172.161.6-136-5.2112.4D71 N72 L78 A79D71-R75 WeakPolarHBondContact O-CB 3.23Å; D71-R75 VanDerWaalsContact O-CG 3.31Å; D71-R75 WeakPolarHBondContact O-CG 3.44Å; D71-R75 PolarHBondContact O-N 3.36Å; D71-R75 WeakPolarHBondContact OD2-CD 3.39Å; N72-R75 PolarHBondContact O-N 2.95Å; N72-R75 PolarHBondContact OD1-NH1 3.06Å; R75-L78 PolarHBondContact O-N 3.36Å; R75-A79 PolarHBondContact O-N 3.19Å
76L90.3Very high87.7Confident101 Ų10193.5 Ų93.553%0.52945%0.449SS..Hα-helixtrans-64.5-48.1172.8-179.260000111.4N72 F73 L78 A79 C80N72-L76 WeakPolarHBondContact O-CB 3.43Å; N72-L76 PolarHBondContact O-N 3.24Å; F73-L76 PolarHBondContact O-N 3.38Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 2.94Å; L76-A79 WeakPolarHBondContact O-CA 3.4Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.4Å; L76-C80 PolarHBondContact O-N 2.96Å; L76-C80 PolarHBondContact O-SG 3.41Å; L76-C80 VanDerWaalsContact O-SG 3.32Å
77G89.2Confident87.7Confident8 Ų892 Ų928%0.08245%0.447CS..Hα-helixtrans-61.4-33177.300000113.7F73 F74 R81F73-G77 PolarHBondContact O-N 3.33Å; F74-G77 PolarHBondContact O-N 2.95Å; G77-R81 PolarHBondContact O-N 2.97Å
78L86.2Confident87.5Confident81 Ų8193.5 Ų93.542%0.42445%0.45SS..Hα-helixtrans-70-35.5171.2-74.3167.6000112.9F74 R75 L76 R82F74-L78 WeakPolarHBondContact O-CG 3.44Å; F74-L78 PolarHBondContact O-N 2.97Å; R75-L78 PolarHBondContact O-N 3.36Å; L76-L78 VanDerWaalsContact C-N 3.28Å; L76-L78 PolarHBondContact O-N 2.94Å; L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.33Å
79A85.4Confident87.4Confident44 Ų4491 Ų9136%0.36445%0.446SS..Hα-helixtrans-67.3-48.2172.600000111.1R75 L76 R81 R82 E83R75-A79 PolarHBondContact O-N 3.19Å; L76-A79 WeakPolarHBondContact O-CA 3.4Å; L76-A79 WeakPolarHBondContact O-CB 3.19Å; L76-A79 PolarHBondContact O-N 3.4Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; A79-R82 PolarHBondContact O-N 2.91Å; A79-R82 VanDerWaalsContact O-N 3.1Å; A79-E83 PolarHBondContact O-N 3.41Å
80C87.4Confident87.1Confident60 Ų6091.7 Ų91.741%0.40545%0.447SS..Hα-helixtrans-56.9-44177-64.60000112.2L76 R82 E83 I84L76-C80 PolarHBondContact O-N 2.96Å; L76-C80 PolarHBondContact O-SG 3.41Å; L76-C80 VanDerWaalsContact O-SG 3.32Å; C80-R82 PolarHBondContact O-N 3.28Å; C80-E83 PolarHBondContact O-N 3.48Å; C80-I84 VanDerWaalsContact O-CG1 3.29Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 2.87Å
81R85.3Confident86.9Confident66 Ų6693.9 Ų93.925%0.24946%0.456CS..Hα-helixtrans-57.9-43.8174.6-84.4-173.2-77.3-91-2112.7G77 A79 E83 I84 E85G77-R81 PolarHBondContact O-N 2.97Å; A79-R81 VanDerWaalsContact C-N 3.34Å; A79-R81 PolarHBondContact O-N 2.92Å; R81-E83 PolarHBondContact O-N 3.2Å; R81-I84 PolarHBondContact O-N 3.16Å; R81-E85 WeakPolarHBondContact O-CG 3.39Å; R81-E85 PolarHBondContact O-N 3.02Å
82R87.9Confident86.6Confident160 Ų16095 Ų9560%0.60446%0.457SS*.Hα-helixtrans-65.1-36.9177.7-71.4170.2178.3169.20.3113.1L78 A79 C80 K86L78-R82 WeakPolarHBondContact O-CG 3.47Å; L78-R82 PolarHBondContact O-N 3.33Å; A79-R82 PolarHBondContact O-N 2.91Å; A79-R82 VanDerWaalsContact O-N 3.1Å; C80-R82 PolarHBondContact O-N 3.28Å; R82-K86 WeakPolarHBondContact O-CG 3.47Å; R82-K86 PolarHBondContact O-N 3.18Å; R82-K86 VanDerWaalsContact O-N 3.1Å
83E89.3Confident86.4Confident92 Ų9296.8 Ų96.843%0.4347%0.466SS..Hα-helixtrans-71-36.6174-56.9-46.7131.100111.7A79 C80 R81 K86 L87A79-E83 PolarHBondContact O-N 3.41Å; C80-E83 PolarHBondContact O-N 3.48Å; R81-E83 PolarHBondContact O-N 3.2Å; E83-K86 PolarHBondContact O-N 2.87Å; E83-K86 WeakPolarHBondContact OE1-CE 3.47Å; E83-K86 IonicContact OE1-NZ 2.66Å; E83-K86 PolarHBondContact OE1-NZ 3.09Å; E83-K86 WeakPolarHBondContact OE2-CD 3.27Å; E83-K86 WeakPolarHBondContact OE2-CE 3.45Å; E83-K86 IonicContact OE2-NZ 2.69Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.92Å
84I88Confident86.1Confident77 Ų7794.1 Ų94.140%0.39546%0.458SS..Hα-helixtrans-62.9-40.7172.3-68.6163.9000111.2C80 R81 L87 K88C80-I84 VanDerWaalsContact O-CG1 3.29Å; C80-I84 WeakPolarHBondContact O-CG1 3.36Å; C80-I84 PolarHBondContact O-N 2.87Å; R81-I84 PolarHBondContact O-N 3.16Å; I84-L87 PolarHBondContact O-N 3.07Å; I84-K88 HydrophobicContact CG2-CD 4.13Å; I84-K88 HydrophobicContact CG2-CG 4.44Å; I84-K88 WeakPolarHBondContact O-CB 3.49Å; I84-K88 WeakPolarHBondContact O-CG 3.34Å; I84-K88 PolarHBondContact O-N 3.07Å
85E85.1Confident85.8Confident121 Ų12189.3 Ų89.357%0.56544%0.44SS*.Hα-helixtrans-63.4-39.8174.7-74.1164.6178.100112.4R81 S89R81-E85 WeakPolarHBondContact O-CG 3.39Å; R81-E85 PolarHBondContact O-N 3.02Å; E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 PolarHBondContact O-OG 3.25Å
86K90.4Very high85.4Confident101 Ų10187.2 Ų87.244%0.43944%0.444SS..Hα-helixtrans-63.5-46.2171.5-68.9177.8-150.2165.20111.8R82 E83 K88 S89 Q90R82-K86 WeakPolarHBondContact O-CG 3.47Å; R82-K86 PolarHBondContact O-N 3.18Å; R82-K86 VanDerWaalsContact O-N 3.1Å; E83-K86 PolarHBondContact O-N 2.87Å; E83-K86 WeakPolarHBondContact OE1-CE 3.47Å; E83-K86 IonicContact OE1-NZ 2.66Å; E83-K86 PolarHBondContact OE1-NZ 3.09Å; E83-K86 WeakPolarHBondContact OE2-CD 3.27Å; E83-K86 WeakPolarHBondContact OE2-CE 3.45Å; E83-K86 IonicContact OE2-NZ 2.69Å; E83-K86 PolarHBondContact OE2-NZ 2.91Å; K86-K88 PolarHBondContact O-N 2.9Å; K86-S89 PolarHBondContact O-N 3.28Å; K86-S89 PolarHBondContact O-OG 3.29Å; K86-Q90 WeakPolarHBondContact O-CB 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.33Å; K86-Q90 PolarHBondContact O-N 3.01Å
87L90.1Very high85.1Confident94 Ų9489.7 Ų89.749%0.49245%0.45SS..Hα-helixtrans-62.1-42.8178.4-72.2167.4000111.1E83 I84 S89 Q90 I91E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.92Å; I84-L87 PolarHBondContact O-N 3.07Å; L87-S89 PolarHBondContact O-N 3.47Å; L87-Q90 PolarHBondContact O-N 3.16Å; L87-I91 WeakPolarHBondContact O-CB 3.39Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.29Å; L87-I91 PolarHBondContact O-N 2.97Å
88K84.8Confident84.8Confident99 Ų9996.8 Ų96.843%0.4348%0.476SS..Hα-helixtrans-61.3-41.4174.4-75.4178.7178.9-177.70112.6I84 K86 I91 K92 D135I84-K88 HydrophobicContact CG2-CD 4.13Å; I84-K88 HydrophobicContact CG2-CG 4.44Å; I84-K88 WeakPolarHBondContact O-CB 3.49Å; I84-K88 WeakPolarHBondContact O-CG 3.34Å; I84-K88 PolarHBondContact O-N 3.07Å; K86-K88 PolarHBondContact O-N 2.9Å; K88-I91 PolarHBondContact O-N 3.29Å; K88-K92 WeakPolarHBondContact O-CB 3.38Å; K88-K92 PolarHBondContact O-N 3.48Å; K88-D135 WeakPolarHBondContact CE-OD1 3.49Å; K88-D135 IonicContact NZ-OD1 2.9Å; K88-D135 PolarHBondContact NZ-OD1 3.08Å
89S84.9Confident84.2Confident74 Ų74103.9 Ų103.952%0.51750%0.497SS..Hα-helixtrans-71.3-35.117762.60000113E85 K86 L87 L93E85-S89 PolarHBondContact O-N 3.45Å; E85-S89 PolarHBondContact O-OG 3.25Å; K86-S89 PolarHBondContact O-N 3.28Å; K86-S89 PolarHBondContact O-OG 3.29Å; L87-S89 PolarHBondContact O-N 3.47Å; S89-L93 WeakPolarHBondContact O-CB 3.45Å; S89-L93 PolarHBondContact O-N 3.05Å
90Q85.2Confident83.2Confident109 Ų109105.5 Ų105.551%0.50950%0.502SS..Hα-helixtrans-64.1-45.1170.6-73.2175.2-4.800112K86 L87 L93 L94K86-Q90 WeakPolarHBondContact O-CB 3.29Å; K86-Q90 WeakPolarHBondContact O-CG 3.33Å; K86-Q90 PolarHBondContact O-N 3.01Å; L87-Q90 PolarHBondContact O-N 3.16Å; Q90-L93 PolarHBondContact O-N 3.49Å; Q90-L94 VanDerWaalsContact O-CG 3.31Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.84Å
91I83.2Confident81.8Confident100 Ų100107.9 Ų107.951%0.51352%0.517SS..Hα-helixtrans-61.3-46.9175.7-69.9163.6000110.3L87 K88 L93 L94 C95L87-I91 WeakPolarHBondContact O-CB 3.39Å; L87-I91 WeakPolarHBondContact O-CD1 3.42Å; L87-I91 VanDerWaalsContact O-CG1 3.23Å; L87-I91 WeakPolarHBondContact O-CG1 3.29Å; L87-I91 PolarHBondContact O-N 2.97Å; K88-I91 PolarHBondContact O-N 3.29Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.28Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.16Å; I91-L94 VanDerWaalsContact O-N 3.12Å; I91-C95 PolarHBondContact O-N 3Å; I91-C95 PolarHBondContact O-SG 3.41Å; I91-C95 VanDerWaalsContact O-SG 3.35Å
92K80.4Confident80.4Confident107 Ų107110.5 Ų110.547%0.46553%0.532SS..Hα-helixtrans-60-41.7176.7-173.3168.9177.2117.20112K88 L94 C95 T96 E102K88-K92 WeakPolarHBondContact O-CB 3.38Å; K88-K92 PolarHBondContact O-N 3.48Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.39Å; K92-C95 PolarHBondContact O-N 2.89Å; K92-T96 PolarHBondContact O-N 3.46Å; K92-T96 PolarHBondContact O-OG1 3.42Å; K92-T96 VanDerWaalsContact O-OG1 3.06Å; K92-E102 WeakPolarHBondContact CE-OE1 3.31Å; K92-E102 IonicContact NZ-OE1 2.69Å; K92-E102 PolarHBondContact NZ-OE1 2.99Å; K92-E102 IonicContact NZ-OE2 3.11Å; K92-E102 PolarHBondContact NZ-OE2 3.45Å
93L83.1Confident78.6Confident114 Ų114108 Ų10860%0.59754%0.536SS*.Hα-helixtrans-62.2-40174.6-179.362.5000112.4S89 Q90 I91 K97S89-L93 WeakPolarHBondContact O-CB 3.45Å; S89-L93 PolarHBondContact O-N 3.05Å; Q90-L93 PolarHBondContact O-N 3.49Å; I91-L93 VanDerWaalsContact C-N 3.33Å; I91-L93 PolarHBondContact O-N 3.28Å; L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 PolarHBondContact O-N 2.84Å
94L81.4Confident76.5Confident89 Ų89113 Ų11347%0.46656%0.556SS.*Hα-helixtrans-66.2-46.1175.2-70.2165.8000111.5Q90 I91 K92 T96 K97 Y98Q90-L94 VanDerWaalsContact O-CG 3.31Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 2.84Å; I91-L94 WeakPolarHBondContact O-CB 3.49Å; I91-L94 PolarHBondContact O-N 3.16Å; I91-L94 VanDerWaalsContact O-N 3.12Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.39Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 2.86Å; L94-K97 PolarHBondContact O-N 3.25Å; L94-K97 VanDerWaalsContact O-N 3.13Å; L94-Y98 HydrophobicContact CD2-CE2 4.02Å; L94-Y98 VanDerWaalsContact O-CD2 3.27Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.97Å
95C78Confident74.4Confident31 Ų31114 Ų11421%0.20958%0.577CS.*Hα-helixtrans-55.8-47.5175.6-67.90000111.6I91 K92 K97 Y98 R99 V100I91-C95 PolarHBondContact O-N 3Å; I91-C95 PolarHBondContact O-SG 3.41Å; I91-C95 VanDerWaalsContact O-SG 3.35Å; K92-C95 PolarHBondContact O-N 2.89Å; C95-K97 PolarHBondContact O-N 3.4Å; C95-Y98 PolarHBondContact O-N 2.69Å; C95-R99 PolarHBondContact O-N 3.01Å; C95-V100 HydrophobicContact CB-CB 4.28Å; C95-V100 PolarHBondContact O-N 2.8Å
96T78.4Confident72.1Confident103 Ų103114.6 Ų114.663%0.63259%0.588SS**Hα-helixtrans-59.7-45.6174.4-56.40000112K92 L94 Y98 R99K92-T96 PolarHBondContact O-N 3.46Å; K92-T96 PolarHBondContact O-OG1 3.42Å; K92-T96 VanDerWaalsContact O-OG1 3.06Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 2.86Å; T96-Y98 PolarHBondContact O-N 3.17Å; T96-R99 PolarHBondContact O-N 3.21Å
97K83.8Confident69.6Low153 Ų153114 Ų11467%0.66560%0.597SS**Hα-helixtrans-61.3-40.7179.6-175.7-175.4177.3-171.10112.7L93 L94 C95L93-K97 WeakPolarHBondContact O-CB 3.43Å; L93-K97 PolarHBondContact O-N 2.84Å; L94-K97 PolarHBondContact O-N 3.25Å; L94-K97 VanDerWaalsContact O-N 3.13Å; C95-K97 PolarHBondContact O-N 3.4Å
98Y83.1Confident67.3Low157 Ų157116.3 Ų116.362%0.61661%0.605SS**THydrogen-bonded Turntrans-91.15-179.1-71.2-73.8000113.8L94 C95 T96 V100L94-Y98 HydrophobicContact CD2-CE2 4.02Å; L94-Y98 VanDerWaalsContact O-CD2 3.27Å; L94-Y98 WeakPolarHBondContact O-CD2 3.46Å; L94-Y98 PolarHBondContact O-N 2.97Å; C95-Y98 PolarHBondContact O-N 2.69Å; T96-Y98 PolarHBondContact O-N 3.17Å; Y98-V100 PolarHBondContact O-N 2.94Å; Y98-V100 VanDerWaalsContact O-N 3.14Å
99R73.6Confident65.2Low230 Ų230120.2 Ų120.287%0.86862%0.622SS**THydrogen-bonded Turntrans52.527.5-173.9-58-177.9176.6-177.1-1.5113.7C95 T96 P101C95-R99 PolarHBondContact O-N 3.01Å; T96-R99 PolarHBondContact O-N 3.21Å; R99-P101 WeakPolarHBondContact O-CD 3.44Å
100V64.8Low62.8Low78 Ų78124.1 Ų124.147%0.47364%0.637SS.*PPolyproline II helixtrans-67.2124.2173.4178.60000107.1C95 Y98 E102C95-V100 HydrophobicContact CB-CB 4.28Å; C95-V100 PolarHBondContact O-N 2.8Å; Y98-V100 PolarHBondContact O-N 2.94Å; Y98-V100 VanDerWaalsContact O-N 3.14Å; V100-E102 PolarHBondContact O-N 3.48Å
101P57.8Low60.5Low110 Ų110123.8 Ų123.871%0.71464%0.638SS**PPolyproline II helixtrans-54.9127.7177.2-25.634.7000110.2R99R99-P101 WeakPolarHBondContact O-CD 3.44Å
102E54.1Low58.4Low122 Ų122126.4 Ų126.457%0.5765%0.653SS**PPolyproline II helixtrans-58.5124.6174.8-176.8153-123.800108.1K92 V100 K104K92-E102 WeakPolarHBondContact CE-OE1 3.31Å; K92-E102 IonicContact NZ-OE1 2.69Å; K92-E102 PolarHBondContact NZ-OE1 2.99Å; K92-E102 IonicContact NZ-OE2 3.11Å; K92-E102 PolarHBondContact NZ-OE2 3.45Å; V100-E102 PolarHBondContact O-N 3.48Å; E102-K104 PolarHBondContact O-N 3.36Å
103P51Low56.5Low107 Ų107126.2 Ų126.270%0.69566%0.664SS**PPolyproline II helixtrans-59.6116.1-171.721.3-33.3000109.4A105P103-A105 PolarHBondContact O-N 2.92Å
104K46.4Very low54.7Low196 Ų196124.6 Ų124.685%0.85266%0.656SS**PPolyproline II helixtrans-47.7117.6-178.4-69.2-177.8179.3179.60108.7E102 V106E102-K104 PolarHBondContact O-N 3.36Å; K104-V106 PolarHBondContact O-N 2.97Å
105A43.9Very low53.1Low99 Ų99122.7 Ų122.782%0.81865%0.648SS**  trans-53.8110-172.900000109.9P103 S107P103-A105 PolarHBondContact O-N 2.92Å; A105-S107 PolarHBondContact O-N 3.43Å
106V36.3Very low51.9Low133 Ų133127.7 Ų127.781%0.80667%0.669SS**  trans-61.4112.8-177.6178.70000107.3K104 Q108K104-V106 PolarHBondContact O-N 2.97Å; V106-Q108 PolarHBondContact O-N 2.76Å; V106-Q108 VanDerWaalsContact O-N 3.12Å
107S37.8Very low50.6Low89 Ų89125.1 Ų125.162%0.62265%0.651SS**  trans-56.6121.2-173.560.60000109.7A105 K109A105-S107 PolarHBondContact O-N 3.43Å; S107-K109 PolarHBondContact O-N 2.89Å
108Q41.5Very low49.1Very low142 Ų142119.8 Ų119.866%0.66463%0.629SS**  trans-69.621.6-165.5-64.1-176.7-15.900115.5V106 N110 L111V106-Q108 PolarHBondContact O-N 2.76Å; V106-Q108 VanDerWaalsContact O-N 3.12Å; Q108-N110 PolarHBondContact O-N 3.47Å; Q108-L111 PolarHBondContact O-N 3.35Å
109K39.8Very low47.7Very low181 Ų181117.1 Ų117.179%0.78763%0.631SS**THydrogen-bonded Turntrans-65.8-7.6-172.7-74.4-173.3170.6-177.80115.7S107S107-K109 PolarHBondContact O-N 2.89Å
110N34.9Very low46.7Very low156 Ų156114.1 Ų114.183%0.83463%0.627SS**THydrogen-bonded Turntrans-124.614.5-175.6-74.4-19.9000114.7Q108Q108-N110 PolarHBondContact O-N 3.47Å
111L38.2Very low46.3Very low102 Ų102117.1 Ų117.153%0.53463%0.634SS.*  trans-102.864.3-178.5-71.8173.7000113Q108 C113Q108-L111 PolarHBondContact O-N 3.35Å; L111-C113 PolarHBondContact O-N 3.23Å; L111-C113 VanDerWaalsContact O-N 3.08Å
112N39.1Very low46Very low156 Ų156118.8 Ų118.883%0.83463%0.632SS**  trans-74.618.3173.8-80.55.3000114.2D114N112-D114 PolarHBondContact O-N 2.86Å; N112-D114 VanDerWaalsContact O-N 3.12Å
113C40.2Very low46Very low103 Ų103115 Ų11570%0.69662%0.615SS**  trans-86.466.8171.8-65.30000109.9L111 T115L111-C113 PolarHBondContact O-N 3.23Å; L111-C113 VanDerWaalsContact O-N 3.08Å; C113-T115 PolarHBondContact O-N 2.75Å
114D44.3Very low46.4Very low80 Ų80114.7 Ų114.743%0.42860%0.601SS.*  trans-78.270.5-180-120.653.7000110.5N112 Q116 R136N112-D114 PolarHBondContact O-N 2.86Å; N112-D114 VanDerWaalsContact O-N 3.12Å; D114-Q116 HydrophobicContact CB-CG 4.47Å; D114-Q116 PolarHBondContact O-N 2.91Å; D114-Q116 PolarHBondContact OD2-NE2 2.62Å; D114-R136 IonicContact OD1-CZ 2.68Å; D114-R136 IonicContact OD1-NH1 2.65Å; D114-R136 PolarHBondContact OD1-NH1 3.11Å; D114-R136 IonicContact OD1-NH2 2.64Å
115T48.9Very low46.7Very low49 Ų49114 Ų11430%0.30160%0.595SS.*  trans-72.365175.5-44.90000110.5C113 I117 D127 A130C113-T115 PolarHBondContact O-N 2.75Å; T115-I117 PolarHBondContact O-N 3.02Å; T115-D127 HydrophobicContact CG2-CB 4Å; T115-D127 WeakPolarHBondContact CG2-O 3.41Å; T115-A130 HydrophobicContact CG2-CB 4.16Å
116Q51.2Low47.5Very low135 Ų135114.2 Ų114.263%0.63159%0.586SS**  trans-70.199.2177.7-63.1-175.511.200109.5D114 N118D114-Q116 HydrophobicContact CB-CG 4.47Å; D114-Q116 PolarHBondContact O-N 2.91Å; D114-Q116 PolarHBondContact OD2-NE2 2.62Å; Q116-N118 PolarHBondContact O-N 2.64Å
117I53Low48.5Very low50 Ų50110.2 Ų110.226%0.25656%0.56SS.*  trans-61.2105.5163.8-66.6-176.4000107.4T115 N123 L128 Y131T115-I117 PolarHBondContact O-N 3.02Å; I117-N123 WeakPolarHBondContact CA-OD1 3.42Å; I117-L128 HydrophobicContact CD1-CD2 3.67Å; I117-L128 HydrophobicContact CG1-CD2 4.33Å; I117-Y131 HydrophobicContact CD1-CD1 3.28Å; I117-Y131 HydrophobicContact CD1-CD2 3.9Å; I117-Y131 HydrophobicContact CD1-CE1 3.86Å; I117-Y131 HydrophobicContact CD1-CE2 4.41Å; I117-Y131 HydrophobicContact CD1-CG 3.3Å; I117-Y131 HydrophobicContact CG1-CD1 4.3Å; I117-Y131 HydrophobicContact CG1-CD2 4.03Å; I117-Y131 HydrophobicContact CG1-CG 3.84Å
118N51.1Low49.7Very low41 Ų41109.3 Ų109.322%0.21955%0.548CS..  trans-88.7117170.8179.5-53.3000107.6Q116 E120 K121 N123Q116-N118 PolarHBondContact O-N 2.64Å; N118-E120 PolarHBondContact O-N 3.43Å; N118-E120 VanDerWaalsContact O-N 3.16Å; N118-E120 WeakPolarHBondContact OD1-CA 3.45Å; N118-E120 WeakPolarHBondContact OD1-CB 3.4Å; N118-E120 PolarHBondContact OD1-N 3.02Å; N118-K121 HydrophobicContact CB-CB 4.18Å; N118-K121 HydrophobicContact CB-CD 4.07Å; N118-K121 HydrophobicContact CB-CG 4.18Å; N118-K121 PolarHBondContact O-N 3.29Å; N118-K121 VanDerWaalsContact O-N 3.15Å; N118-K121 PolarHBondContact OD1-N 3.29Å; N118-N123 PolarHBondContact N-OD1 3.21Å; N118-N123 VanDerWaalsContact N-OD1 3.1Å; N118-N123 PolarHBondContact O-ND2 2.96Å; N118-N123 PolarHBondContact O-OD1 3.06Å
119P53.1Low50.7Low100 Ų100104.8 Ų104.865%0.64953%0.529SS*.THydrogen-bonded Turntrans-66.9-16.8-173.327.4-34.8000113.8I141P119-I141 HydrophobicContact CG-CD1 4.11Å
120E54.4Low51.8Low167 Ų16798.2 Ų98.278%0.7851%0.509SS*.THydrogen-bonded Turntrans-91.9-12.1179.8-51.6-178.2144.400112.5N118N118-E120 PolarHBondContact O-N 3.43Å; N118-E120 VanDerWaalsContact O-N 3.16Å; N118-E120 WeakPolarHBondContact OD1-CA 3.45Å; N118-E120 WeakPolarHBondContact OD1-CB 3.4Å; N118-E120 PolarHBondContact OD1-N 3.02Å
121K55.4Low53.1Low142 Ų14292.5 Ų92.562%0.61748%0.476SS*.SBendtrans-104.9153.5-179.7-63-179.9-173.8177.30111.1N118 N123N118-K121 HydrophobicContact CB-CB 4.18Å; N118-K121 HydrophobicContact CB-CD 4.07Å; N118-K121 HydrophobicContact CB-CG 4.18Å; N118-K121 PolarHBondContact O-N 3.29Å; N118-K121 VanDerWaalsContact O-N 3.15Å; N118-K121 PolarHBondContact OD1-N 3.29Å; K121-N123 VanDerWaalsContact C-N 3.32Å; K121-N123 PolarHBondContact O-N 2.89Å; K121-N123 PolarHBondContact O-ND2 2.89Å
122Q51.5Low54.3Low144 Ų14492.7 Ų92.767%0.67348%0.477SS*.  trans-7586.4171.4-73.5-177.50.400109.8
123N55.2Low55.5Low42 Ų4292.9 Ų92.923%0.22547%0.473CS..  trans-62135.8171.4-50.9-77.1000109.7I117 N118 K121 D127 L128I117-N123 WeakPolarHBondContact CA-OD1 3.42Å; N118-N123 PolarHBondContact N-OD1 3.21Å; N118-N123 VanDerWaalsContact N-OD1 3.1Å; N118-N123 PolarHBondContact O-ND2 2.96Å; N118-N123 PolarHBondContact O-OD1 3.06Å; K121-N123 VanDerWaalsContact C-N 3.32Å; K121-N123 PolarHBondContact O-N 2.89Å; K121-N123 PolarHBondContact O-ND2 2.89Å; N123-D127 HydrophobicContact CB-CB 4.49Å; N123-L128 HydrophobicContact CB-CD2 4.11Å; N123-L128 HydrophobicContact CB-CG 4.47Å
124Y57.6Low56.6Low101 Ų10190 Ų9040%0.39645%0.454SS..  trans-75.1157.8178.1-60.3-67.3000111.1T126 D127 L128 H444 R448Y124-T126 PolarHBondContact O-N 2.94Å; Y124-D127 WeakPolarHBondContact CB-OD2 3.44Å; Y124-D127 WeakPolarHBondContact CD2-OD2 3.5Å; Y124-D127 PolarHBondContact N-OD2 3.13Å; Y124-D127 WeakPolarHBondContact O-CB 3.49Å; Y124-D127 PolarHBondContact O-N 3.44Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y124-H444 AromaticContact CD1-NE2 3.97Å; Y124-H444 AromaticContact CE1-NE2 3.77Å; Y124-R448 VanDerWaalsContact CZ-NH2 3.33Å; Y124-R448 PolarHBondContact OH-NH2 2.95Å; Y124-R448 VanDerWaalsContact OH-NH2 3.12Å
125Y52.6Low57.2Low182 Ų18292.5 Ų92.571%0.71447%0.467SS*.Hα-helixtrans-55.3-37.1175.3-179.1-100.4000112.1D127 L128 V129Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 2.99Å; Y125-L128 PolarHBondContact O-N 3.01Å; Y125-V129 HydrophobicContact CD1-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.64Å; Y125-V129 HydrophobicContact CE2-CG2 4.12Å; Y125-V129 HydrophobicContact CG-CG2 4.5Å; Y125-V129 WeakPolarHBondContact O-CB 3.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 3.27Å
126T60.8Low57.5Low103 Ų10395 Ų9563%0.63247%0.471SS*.Hα-helixtrans-58.2-42.5173.5-17.40000112.4Y124 V129 A130Y124-T126 PolarHBondContact O-N 2.94Å; T126-V129 PolarHBondContact O-N 3.46Å; T126-A130 VanDerWaalsContact O-CB 3.23Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 2.99Å
127D58.5Low57.4Low49 Ų4993.2 Ų93.226%0.26247%0.471SS..Hα-helixtrans-70.1-41.2-178.8-43.3-24.2000110.3T115 N123 Y124 Y125 A130 Y131T115-D127 HydrophobicContact CG2-CB 4Å; T115-D127 WeakPolarHBondContact CG2-O 3.41Å; N123-D127 HydrophobicContact CB-CB 4.49Å; Y124-D127 WeakPolarHBondContact CB-OD2 3.44Å; Y124-D127 WeakPolarHBondContact CD2-OD2 3.5Å; Y124-D127 PolarHBondContact N-OD2 3.13Å; Y124-D127 WeakPolarHBondContact O-CB 3.49Å; Y124-D127 PolarHBondContact O-N 3.44Å; Y125-D127 VanDerWaalsContact C-N 3.33Å; Y125-D127 PolarHBondContact O-N 2.99Å; D127-A130 PolarHBondContact O-N 3.35Å; D127-Y131 WeakPolarHBondContact O-CB 3.37Å; D127-Y131 PolarHBondContact O-N 3.04Å
128L61.9Low57.2Low71 Ų7194.5 Ų94.537%0.37248%0.483SS..Hα-helixtrans-62.7-42.8175.2-62.1178.6000111.8I117 N123 Y124 Y125 L132I117-L128 HydrophobicContact CD1-CD2 3.67Å; I117-L128 HydrophobicContact CG1-CD2 4.33Å; N123-L128 HydrophobicContact CB-CD2 4.11Å; N123-L128 HydrophobicContact CB-CG 4.47Å; Y124-L128 WeakPolarHBondContact O-CG 3.49Å; Y124-L128 PolarHBondContact O-N 3.23Å; Y125-L128 PolarHBondContact O-N 3.01Å; L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.09Å
129V63.9Low57.1Low46 Ų4698.7 Ų98.728%0.27950%0.504SS..Hα-helixtrans-68.4-47.3176.6168.60000111Y125 T126 Y131 L132 H133Y125-V129 HydrophobicContact CD1-CG2 4.08Å; Y125-V129 HydrophobicContact CE1-CG2 3.64Å; Y125-V129 HydrophobicContact CE2-CG2 4.12Å; Y125-V129 HydrophobicContact CG-CG2 4.5Å; Y125-V129 WeakPolarHBondContact O-CB 3.27Å; Y125-V129 WeakPolarHBondContact O-CG2 3.44Å; Y125-V129 PolarHBondContact O-N 3.27Å; T126-V129 PolarHBondContact O-N 3.46Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.26Å; V129-L132 PolarHBondContact O-N 3.39Å; V129-L132 VanDerWaalsContact O-N 3.13Å; V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 PolarHBondContact O-N 3.28Å
130A61.6Low56.3Low44 Ų4498.8 Ų98.836%0.36450%0.499SS..Hα-helixtrans-61.2-36.7177.300000112.2T115 T126 D127 H133 S134T115-A130 HydrophobicContact CG2-CB 4.16Å; T126-A130 VanDerWaalsContact O-CB 3.23Å; T126-A130 WeakPolarHBondContact O-CB 3.42Å; T126-A130 PolarHBondContact O-N 2.99Å; D127-A130 PolarHBondContact O-N 3.35Å; A130-H133 CarbonylContact O-C 3.57Å; A130-H133 PolarHBondContact O-N 3.22Å; A130-S134 PolarHBondContact O-N 3.12Å; A130-S134 VanDerWaalsContact O-N 3.1Å
131Y62.7Low55.7Low36 Ų3696.1 Ų96.114%0.14149%0.489CS..Hα-helixtrans-69.3-39.5172.8176.3-93.7000112.9I117 D127 V129 H133 S134 P138I117-Y131 HydrophobicContact CD1-CD1 3.28Å; I117-Y131 HydrophobicContact CD1-CD2 3.9Å; I117-Y131 HydrophobicContact CD1-CE1 3.86Å; I117-Y131 HydrophobicContact CD1-CE2 4.41Å; I117-Y131 HydrophobicContact CD1-CG 3.3Å; I117-Y131 HydrophobicContact CG1-CD1 4.3Å; I117-Y131 HydrophobicContact CG1-CD2 4.03Å; I117-Y131 HydrophobicContact CG1-CG 3.84Å; D127-Y131 WeakPolarHBondContact O-CB 3.37Å; D127-Y131 PolarHBondContact O-N 3.04Å; V129-Y131 VanDerWaalsContact C-N 3.28Å; V129-Y131 PolarHBondContact O-N 3.26Å; Y131-H133 PolarHBondContact O-N 2.88Å; Y131-S134 WeakPolarHBondContact O-CB 3.42Å; Y131-S134 PolarHBondContact O-N 2.91Å; Y131-S134 PolarHBondContact O-OG 3.5Å; Y131-P138 WeakPolarHBondContact OH-CA 3.36Å; Y131-P138 WeakPolarHBondContact OH-CB 3.42Å
132L63.6Low54.8Low106 Ų10697.7 Ų97.756%0.55549%0.492SS*.Hα-helixtrans-64.7-27.7174.1-77.5167.3000113L128 V129L128-L132 WeakPolarHBondContact O-CB 3.49Å; L128-L132 VanDerWaalsContact O-CG 3.27Å; L128-L132 WeakPolarHBondContact O-CG 3.46Å; L128-L132 PolarHBondContact O-N 3.09Å; V129-L132 PolarHBondContact O-N 3.39Å; V129-L132 VanDerWaalsContact O-N 3.13Å
133H63.7Low54.1Low160 Ų16095.4 Ų95.474%0.74149%0.492SS*.THydrogen-bonded Turntrans-87.7-0.6169.6-68.4-65000113.9V129 A130 Y131V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 PolarHBondContact O-N 3.28Å; A130-H133 CarbonylContact O-C 3.57Å; A130-H133 PolarHBondContact O-N 3.22Å; Y131-H133 PolarHBondContact O-N 2.88Å
134S63.4Low53Low43 Ų4396.1 Ų96.130%0.30151%0.509SS..  trans-90.6135.8177.582.90000111.3A130 Y131 R136A130-S134 PolarHBondContact O-N 3.12Å; A130-S134 VanDerWaalsContact O-N 3.1Å; Y131-S134 WeakPolarHBondContact O-CB 3.42Å; Y131-S134 PolarHBondContact O-N 2.91Å; Y131-S134 PolarHBondContact O-OG 3.5Å; S134-R136 PolarHBondContact O-N 3.14Å; S134-R136 VanDerWaalsContact O-N 3.16Å
135D56.6Low51.7Low131 Ų13198.8 Ų98.870%0.70153%0.53SS*.  trans-74.64.8177.7-91.8-44.1000114.3K88K88-D135 WeakPolarHBondContact CE-OD1 3.49Å; K88-D135 IonicContact NZ-OD1 2.9Å; K88-D135 PolarHBondContact NZ-OD1 3.08Å
136R55Low50.8Low101 Ų10197.9 Ų97.938%0.38154%0.538SS..PPolyproline II helixtrans-86.7138.6-174.6-72.7-175.6175.3175.70.9112D114 S134D114-R136 IonicContact OD1-CZ 2.68Å; D114-R136 IonicContact OD1-NH1 2.65Å; D114-R136 PolarHBondContact OD1-NH1 3.11Å; D114-R136 IonicContact OD1-NH2 2.64Å; S134-R136 PolarHBondContact O-N 3.14Å; S134-R136 VanDerWaalsContact O-N 3.16Å
137P49.8Very low49.5Very low98 Ų9899 Ų9964%0.63655%0.545SS*.PPolyproline II helixtrans-68.1158.2166.831.3-35000110.8I139P137-I139 PolarHBondContact O-N 3.46Å
138P47.9Very low48.5Very low78 Ų78102.7 Ų102.751%0.50657%0.571SS.*PPolyproline II helixtrans-60.5121.3170.324.1-31.7000110Y131 N140Y131-P138 WeakPolarHBondContact OH-CA 3.36Å; Y131-P138 WeakPolarHBondContact OH-CB 3.42Å; P138-N140 PolarHBondContact O-N 3.33Å; P138-N140 VanDerWaalsContact O-N 3.14Å
139I49.2Very low47Very low128 Ų128106 Ų10666%0.65659%0.589SS**  trans-65.7113.7168.5-62.1174.1000107P137 I141P137-I139 PolarHBondContact O-N 3.46Å; I139-I141 PolarHBondContact O-N 3.4Å
140N37.3Very low45.7Very low102 Ų102115 Ų11555%0.54562%0.618SS.*  trans-73.8100.3178.4-176.215.4000109.4P138 Y142 S143P138-N140 PolarHBondContact O-N 3.33Å; P138-N140 VanDerWaalsContact O-N 3.14Å; N140-Y142 PolarHBondContact O-N 2.87Å; N140-Y142 PolarHBondContact OD1-N 3Å; N140-S143 WeakPolarHBondContact O-CB 3.34Å; N140-S143 PolarHBondContact O-N 3.01Å
141I42.1Very low44.2Very low111 Ų111118.5 Ų118.557%0.56963%0.63SS**THydrogen-bonded Turntrans-62.7-14.8-177.1-37.1-177.8000112P119 I139 S143P119-I141 HydrophobicContact CG-CD1 4.11Å; I139-I141 PolarHBondContact O-N 3.4Å; I141-S143 VanDerWaalsContact C-N 3.31Å
142Y36.8Very low42.7Very low176 Ų176122.4 Ų122.469%0.6966%0.66SS**THydrogen-bonded Turntrans-80.4-3.7171.2-68.5-70.7000114.7N140 G144N140-Y142 PolarHBondContact O-N 2.87Å; N140-Y142 PolarHBondContact OD1-N 3Å; Y142-G144 PolarHBondContact O-N 3.19Å
143S36.1Very low41.2Very low95 Ų95124 Ų12466%0.66467%0.669SS**  trans-87.589.5169.5-1650000109.5N140 I141N140-S143 WeakPolarHBondContact O-CB 3.34Å; N140-S143 PolarHBondContact O-N 3.01Å; I141-S143 VanDerWaalsContact C-N 3.31Å
144G31.4Very low39.8Very low57 Ų57122.5 Ų122.559%0.58867%0.671SS**  trans-61.4168.9172.100000112.9Y142Y142-G144 PolarHBondContact O-N 3.19Å
145N30.5Very low38.5Very low157 Ų157126.2 Ų126.284%0.8470%0.695SS**  trans62.672.6172.1-57.8-9.9000116.3
146N33.1Very low37.2Very low163 Ų163128.9 Ų128.987%0.87270%0.7SS**  trans-158.697.5142.1-105.2-53.2000110.9P148N146-P148 WeakPolarHBondContact O-CD 3.33Å
147V35Very low36.1Very low128 Ų128130.3 Ų130.378%0.77672%0.724SS**  trans-97.1112.8177.4177.30000109.4N149V147-N149 PolarHBondContact O-N 3.25Å
148P36.7Very low35.2Very low126 Ų126132.8 Ų132.882%0.81873%0.732SS**  trans-7676.5173.631.6-34.4000110.6N146 R150N146-P148 WeakPolarHBondContact O-CD 3.33Å; P148-R150 PolarHBondContact O-N 3.3Å
149N31.1Very low34.4Very low139 Ų139133.2 Ų133.274%0.74374%0.742SS**  trans-69.190.4174.6179.59.2000111V147V147-N149 PolarHBondContact O-N 3.25Å
150R35.7Very low33.5Very low237 Ų237133.2 Ų133.289%0.89475%0.747SS**  trans-136.278.8165.9-73.8-161171.9-172.3-1.9113P148P148-R150 PolarHBondContact O-N 3.3Å
151N29.8Very low33Very low116 Ų116133.8 Ų133.862%0.6276%0.755SS**  trans4.6119.2142.7-159.12.2000116.9N153N151-N153 VanDerWaalsContact C-N 3.35Å; N151-N153 PolarHBondContact O-N 2.84Å
152P31.1Very low32.7Very low119 Ų119136.6 Ų136.677%0.77377%0.765SS**  trans-83.163.5-171.935.9-38.4000114.2V154P152-V154 PolarHBondContact O-N 3.12Å
153N33.1Very low32.3Very low139 Ų139134.3 Ų134.374%0.74377%0.77SS**  trans-84104.1172.4-87.1-13.6000111.6N151 P155N151-N153 VanDerWaalsContact C-N 3.35Å; N151-N153 PolarHBondContact O-N 2.84Å; N153-P155 WeakPolarHBondContact O-CD 3.35Å
154V34.9Very low32.2Very low129 Ų129137.2 Ų137.278%0.78277%0.773SS**  trans-94.6113.3169.3177.30000109.3P152 K156P152-V154 PolarHBondContact O-N 3.12Å; V154-K156 PolarHBondContact O-N 2.8Å
155P35.4Very low32.1Very low121 Ų121141.9 Ų141.979%0.78678%0.78SS**  trans-74.2120.3169.3-9.226.4000109.5N153N153-P155 WeakPolarHBondContact O-CD 3.35Å
156K29.4Very low32.3Very low186 Ų186140.2 Ų140.281%0.80978%0.775SS**  trans-78.3136.3153.2-68.5178.8179.2176.90108V154V154-K156 PolarHBondContact O-N 2.8Å
157C31.8Very low32.4Very low131 Ų131141.4 Ų141.489%0.88577%0.772SS**  trans-149140.7147.7-97.20000108.3
158D31.9Very low32.4Very low150 Ų150143.8 Ų143.880%0.80277%0.772SS**  trans-102.2160.4-178.1-71.2-75.2000111.4
159A31Very low32.3Very low87 Ų87149 Ų14972%0.71978%0.777SS**  trans62.1126150.700000122.3
160V28.8Very low32.3Very low128 Ų128148.8 Ų148.878%0.77678%0.776SS**  37.8121.8119.5-165.30000116.6
161T28.2Very low32.3Very low115 Ų115142.5 Ų142.571%0.70677%0.768SS**  -172.2175.668.4-29.90000111.9
162Q34.6Very low32.5Very low169 Ų169145.4 Ų145.479%0.7978%0.778SS**  trans77.4121.7164.2-64164.520.500114.6
163T29.6Very low32.7Very low129 Ų129144.2 Ų144.279%0.79177%0.772SS**  cis60.5131.149.3-40000112.1
164E33.4Very low32.7Very low155 Ų155143.5 Ų143.572%0.72478%0.779SS**  cis-142.3165.423.9-84.1-173151.400115.2
165H30.3Very low32.7Very low156 Ų156141.1 Ų141.172%0.72278%0.78SS**  trans46.1143.1149.8-64.1-46.8000121.6
166V34.4Very low32.5Very low122 Ų122140.5 Ų140.574%0.73978%0.779SS**  -156.5142.164.3158.90000113
167K35.5Very low32.6Very low187 Ų187136.3 Ų136.381%0.81377%0.773SS**  trans33.4103.5161.1-62.4164.9-173.6175.70118.3
168K34.5Very low32.4Very low178 Ų178139.7 Ų139.777%0.77477%0.773SS**  52.9114.578.7-80.2-170.9171.9178.80116.4
169Y33.9Very low32.4Very low236 Ų236135.8 Ų135.893%0.92577%0.768SS**  -140.8139126.6-105.9-83.6000108.8
170N31.7Very low32.4Very low134 Ų134136.5 Ų136.572%0.71777%0.768SS**  trans-112.2142-177.1-77.55.7000111.3
171S36.2Very low32.6Very low105 Ų105139.5 Ų139.573%0.73477%0.773SS**  trans-154.3117.2141.5-90.20000106.7
172Q34.1Very low32.6Very low177 Ų177138.5 Ų138.583%0.82777%0.771SS**  65.5130.486-68.5-174.229.500112.9
173S33.8Very low32.9Very low94 Ų94136 Ų13666%0.65777%0.772SS**  cis-162.5166.2-4.7-91.70000110.5
174S34Very low32.9Very low125 Ų125140.7 Ų140.787%0.87478%0.776SS**  trans33.8140150.1-520000121.8
175G34.6Very low32.9Very low79 Ų79138.1 Ų138.181%0.81478%0.775SS**  cis177.8177.63.500000112.4
176S30.4Very low33.1Very low108 Ų108137.6 Ų137.676%0.75578%0.782SS**  trans-90.9151.7-179.954.70000113.2
177S32.4Very low32.9Very low98 Ų98137 Ų13769%0.68578%0.783SS**  160.6149.4123.1-83.80000114.9
178F28Very low32.8Very low201 Ų201133.5 Ų133.588%0.88278%0.782SS**  trans30.4148.2142.4-73.7-98.7000123.3
179G31.4Very low32.5Very low69 Ų69130.2 Ų130.271%0.71178%0.782SS**  trans124.687.1170.100000111.6
180S30.6Very low32.2Very low101 Ų101124.2 Ų124.271%0.70677%0.774SS**  cis85.7133.149.8-57.50000114.1
181Q32.6Very low32Very low191 Ų191122.8 Ų122.889%0.89378%0.775SS**  trans72.7155170.4-46.5-168.120.500117.2
182S29.6Very low31.6Very low95 Ų95122.8 Ų122.866%0.66478%0.775SS**  cis159.1101.4-40.2166.30000109.7
183S40.1Very low31.4Very low116 Ų116119 Ų11981%0.81177%0.769SS**  trans-153.1124.3168.2-550000106.3
184R29.7Very low31.1Very low227 Ų227119.2 Ų119.286%0.85777%0.77SS**  cis56.2121.325.4-77.4-173.9170.8-161.2-2.2112.4
185S32.7Very low30.9Very low101 Ų101118.3 Ų118.371%0.70676%0.763SS**  cis-142.7-154-0.9-62.80000108.2
186V35.4Very low30.6Very low145 Ų145119.2 Ų119.288%0.87976%0.757SS**  cis-153.7167.99.4-130.50000109.9
187S29Very low30.6Very low109 Ų109118.9 Ų118.976%0.76276%0.755SS**  trans-88.6144.7166.4-47.20000111.8
188S33.6Very low30.6Very low114 Ų114119.1 Ų119.180%0.79776%0.756SS**  trans176.8141.6150.2-80.40000108.3
189S27.9Very low30.8Very low109 Ų109114.9 Ų114.976%0.76275%0.752SS**  cis110.5121.121.3-71.50000112.3
190S28.6Very low30.9Very low110 Ų110116.6 Ų116.677%0.76975%0.753SS**  trans83.3145.7151.3-52.60000122.3
191S28Very low31.2Very low104 Ų104116.5 Ų116.573%0.72775%0.753SS**  trans70.6116.7149.728.50000121.9
192S27.9Very low31.4Very low105 Ų105113 Ų11373%0.73474%0.744SS**  18.3147.7121.261.50000119.8
193S28.5Very low31.8Very low99 Ų99113.9 Ų113.969%0.69275%0.75SS**  cis-164.1161.146.6-53.50000114.8
194S28.4Very low31.6Very low97 Ų97113.5 Ų113.568%0.67875%0.748SS**  trans39.6144.9139.461.60000124.3
195S29.4Very low32Very low106 Ų106107.5 Ų107.574%0.74174%0.74SS**  trans66.6149.5145.250.50000120.2
196S29.1Very low32.2Very low98 Ų98107.4 Ų107.469%0.68574%0.74SS**  cis-171.2156.9-19.350.80000112.3
197S30.2Very low32.2Very low102 Ų102105.5 Ų105.571%0.71373%0.733SS**  trans65.3162.7144.757.80000122.1
198S31.6Very low32.6Very low102 Ų102106.6 Ų106.671%0.71374%0.735SS**  trans77.6103.7158.8-53.80000116.9
199S32.1Very low32.6Very low113 Ų113105.5 Ų105.579%0.7973%0.727SS**  87.9153.170.271.90000113.7
200S34.3Very low33.1Very low105 Ų105108.5 Ų108.573%0.73473%0.729SS**  cis-110.1-129.81.741.70000110.7
201S36.5Very low33.4Very low99 Ų99109.5 Ų109.569%0.69273%0.726SS**  cis-169.1157.8-0.220.50000108
202T36.6Very low33.6Very low118 Ų118112.9 Ų112.972%0.72473%0.731SS**  cis-165.8150-1822.70000108
203S37.4Very low34.4Very low113 Ų113113.3 Ų113.379%0.7973%0.731SS**  trans55.7139.6159.3580000120.2
204S37.1Very low34.8Very low108 Ų108113.9 Ų113.976%0.75573%0.732SS**  cis-169.1-167.1-12.960.60000105.8
205S38.1Very low34.8Very low100 Ų100114.3 Ų114.370%0.69974%0.735SS**  cis-170.8158.7-4.2210000105.3
206S37.1Very low34.8Very low100 Ų100117.4 Ų117.470%0.69974%0.738SS**  cis-172153.2-3.842.80000109
207S34.8Very low34.7Very low105 Ų105119.2 Ų119.273%0.73475%0.745SS**  trans50.5133.5152.361.70000119.9
208T36.9Very low34.8Very low132 Ų132117.5 Ų117.581%0.8174%0.744SS**  cis-150.2-162.635.548.10000111.4
209S35.1Very low34.7Very low90 Ų90120.1 Ų120.163%0.62975%0.749SS**  -169.6151.1-63-71.80000110
210Q37.6Very low34.6Very low172 Ų172122.7 Ų122.780%0.80475%0.75SS**  trans66.3150161.5-65.5179.6-91.100117.9
211D35.2Very low34.4Very low131 Ų131125 Ų12570%0.70175%0.754SS**  cis-151.5-160.8-10.6-118.1-33.8000113.5
212Q32.3Very low34.2Very low176 Ų176128 Ų12882%0.82276%0.763SS**  trans-82.2165.7-154.5-80.6-167.59.900121.2
213P43.1Very low33.9Very low113 Ų113125.5 Ų125.573%0.73476%0.76SS**  trans-84.8-168.2175.441.3-41.8000112.6
214P38.9Very low33.6Very low111 Ų111127 Ų12772%0.72176%0.759SS**  cis-149.4-169.518.145.7-23.9000119.9
215S27.7Very low33.2Very low106 Ų106125.7 Ų125.774%0.74176%0.762SS**  trans101.8160.6148.982.20000121.6
216Q30.1Very low32.7Very low172 Ų172127.4 Ų127.480%0.80476%0.758SS**  trans84.385.3168.5-56.9-156.71100122.2
217T26.1Very low32.2Very low135 Ų135127.5 Ų127.583%0.82876%0.759SS**  47.7122.2122.240.50000123.9
218G31.2Very low31.9Very low67 Ų67131 Ų13169%0.69176%0.762SS**  trans-176.786.7155.300000109.7
219L29.7Very low31.3Very low157 Ų157131.7 Ų131.782%0.82276%0.76SS**  60123.492.8-60.8177000113.3
220M31.8Very low30.9Very low167 Ų167134.7 Ų134.782%0.82377%0.769SS**  cis-152.7160.73.3-99.5162.478.200111.6
221N28.2Very low30.5Very low153 Ų153132 Ų13282%0.81877%0.766SS**  trans-81.6148.9173.2-78.8-35.2000113.2
222N34.2Very low30.1Very low163 Ų163131 Ų13187%0.87277%0.769SS**  trans-150.6134136.2-85.1-45000104.9
223G28.9Very low29.9Very low64 Ų64128 Ų12866%0.6676%0.762SS**  cis94.5117.742.100000107.1
224L30.9Very low29.2Very low146 Ų146129.2 Ų129.276%0.76476%0.763SS**  cis-140.4139.517.5-63.7158.8000111
225G28.7Very low28.5Very low80 Ų80127.9 Ų127.983%0.82577%0.769SS**  trans-89.4129.4145.900000107.5
226H28.8Very low28.6Very low135 Ų135131.7 Ų131.763%0.62577%0.772SS**  trans-125.3120.2171.3-97.2-66.4000110.8F228H226-F228 PolarHBondContact O-N 2.8Å
227S26.9Very low28.4Very low103 Ų103128.9 Ų128.972%0.7277%0.769SS**  trans-69.3116.916149.80000110.3
228F26.8Very low28.6Very low179 Ų179131 Ų13179%0.78577%0.774SS**  trans-126.6103.5146.2-84-95.6000104.2H226H226-F228 PolarHBondContact O-N 2.8Å
229L25.8Very low28.4Very low146 Ų146134.4 Ų134.476%0.76478%0.776SS**  59.5116.581.4-74.1171.4000111.9P231L229-P231 WeakPolarHBondContact O-CD 3.32Å
230D25.3Very low28.2Very low153 Ų153130.6 Ų130.682%0.81876%0.762SS**  trans-57.6131169.8-74-70.5000111.8
231P29.2Very low28Very low114 Ų114134.3 Ų134.374%0.7477%0.767SS**  trans-89.683.1144.233.6-25.8000108.2L229 V233L229-P231 WeakPolarHBondContact O-CD 3.32Å; P231-V233 PolarHBondContact O-N 3.28Å
232S27.9Very low27.9Very low111 Ų111131.8 Ų131.878%0.77676%0.761SS**  trans-66.796.3168.1167.10000109.4
233V28.5Very low27.5Very low112 Ų112132.3 Ų132.368%0.67976%0.763SS**  trans-137.6105.1174.3-167.50000111.2P231P231-V233 PolarHBondContact O-N 3.28Å
234D27.2Very low27.5Very low140 Ų140133.8 Ų133.875%0.74976%0.764SS**  trans44.8118149.8-51.7-30.4000121.2
235G25.8Very low27.2Very low82 Ų82133.6 Ų133.685%0.84577%0.768SS**  trans-72.6129.8169.300000113
236K29.4Very low27.1Very low187 Ų187135.2 Ų135.281%0.81376%0.762SS**  trans-123.3124.9159.2-72.5180179.51720109.3L238K236-L238 PolarHBondContact O-N 3.17Å
237P25.4Very low27Very low112 Ų112135.7 Ų135.773%0.72777%0.769SS**  trans-71.2118.7-179.128.5-33000109.6L239P237-L239 PolarHBondContact O-N 3.25Å
238L29.4Very low27.2Very low180 Ų180136.4 Ų136.494%0.94277%0.769SS**  trans-72.780.6171.9-75.8178.5000110.6K236K236-L238 PolarHBondContact O-N 3.17Å
239L28.3Very low27.2Very low139 Ų139131.1 Ų131.173%0.72877%0.765SS**  trans-52.5138.9167.8-80.8159.1000111.4P237 R241P237-L239 PolarHBondContact O-N 3.25Å; L239-R241 PolarHBondContact O-N 3.47Å
240S25.5Very low27.1Very low76 Ų76127.6 Ų127.653%0.53176%0.764SS.*  trans17.771.1140.3-56.10000117.4S242S240-S242 PolarHBondContact O-N 3.13Å
241R26.8Very low27.4Very low246 Ų246130 Ų13093%0.92877%0.767SS**  trans-81.576.5160.4-130.2175.5-177.6173.5-0.5109.7L239L239-R241 PolarHBondContact O-N 3.47Å
242S26.1Very low27.3Very low99 Ų99132 Ų13269%0.69277%0.771SS**PPolyproline II helixtrans-50.6139150.839.10000108.5S240 S244S240-S242 PolarHBondContact O-N 3.13Å; S242-S244 PolarHBondContact O-N 2.94Å; S242-S244 VanDerWaalsContact O-N 3.14Å
243L26.6Very low27.5Very low174 Ų174135.3 Ų135.391%0.91178%0.779SS**PPolyproline II helixtrans-62.2119.1175.3-73.1166.7000108.4V245L243-V245 PolarHBondContact O-N 3.16Å
244S27.5Very low27.6Very low96 Ų96137.5 Ų137.567%0.67178%0.782SS**PPolyproline II helixtrans-64.3124172.146.70000108.9S242 V246S242-S244 PolarHBondContact O-N 2.94Å; S242-S244 VanDerWaalsContact O-N 3.14Å; S244-V246 PolarHBondContact O-N 3.42Å
245V25.7Very low27.7Very low142 Ų142137.5 Ų137.586%0.86178%0.782SS**PPolyproline II helixtrans-56.7121.8159177.10000106.3L243 D247L243-V245 PolarHBondContact O-N 3.16Å; V245-D247 PolarHBondContact O-N 2.87Å
246V27.3Very low27.8Very low114 Ų114140.4 Ų140.469%0.69179%0.788SS**  trans-83.799.8175.3-176.70000106.5S244 V248S244-V246 PolarHBondContact O-N 3.42Å; V246-V248 HydrophobicContact CG1-CG2 3.75Å
247D25.1Very low27.7Very low145 Ų145134.9 Ų134.978%0.77578%0.784SS**  trans-65.9129.3164.4-177.416.6000108.9V245V245-D247 PolarHBondContact O-N 2.87Å
248V31.4Very low28Very low118 Ų118136.1 Ų136.172%0.71579%0.794SS**  trans-128.176.2177.9-173.30000107.6V246 G250V246-V248 HydrophobicContact CG1-CG2 3.75Å; V248-G250 PolarHBondContact O-N 3.33Å; V248-G250 VanDerWaalsContact O-N 3.15Å
249G26.9Very low27.8Very low68 Ų68138.2 Ų138.270%0.70179%0.789SS**  trans-54.9117.1171.300000110.7
250G24.5Very low27.9Very low72 Ų72137.9 Ų137.974%0.74279%0.788SS**  trans-71.5144.5-173.300000113.5V248V248-G250 PolarHBondContact O-N 3.33Å; V248-G250 VanDerWaalsContact O-N 3.15Å
251K31.3Very low28.2Very low204 Ų204139.4 Ų139.489%0.88780%0.799SS**  trans-138.4145159.8-68.5-168.4178.6-178.90110.1
252N27.5Very low28.3Very low155 Ų155134.5 Ų134.583%0.82980%0.796SS**  trans-51.1144.9-168.8-53.8-25.3000115.2
253L31.3Very low28.5Very low180 Ų180138.3 Ų138.394%0.94280%0.8SS**  trans-152.1133.8144.3-111.6158.3000108.9
254E31Very low28.7Very low159 Ų159138.3 Ų138.374%0.74380%0.795SS**  trans-101167.9-164.4-60.1175.19800113.8
255N28.6Very low28.6Very low140 Ų140136.8 Ų136.875%0.74979%0.794SS**  trans57.984.3149.2-64.5-30.9000119.5
256C29Very low29Very low142 Ų142136.9 Ų136.996%0.95980%0.795SS**  -158.6142.6119.6-102.50000110.9
257G26.8Very low28.9Very low71 Ų71141.5 Ų141.573%0.73280%0.802SS**  cis161.431.30.400000115.3
258C30.6Very low29.3Very low139 Ų139143.9 Ų143.994%0.93981%0.808SS**  trans-128147.7177.7-77.20000111.6
259R25.9Very low29.4Very low223 Ų223147 Ų14784%0.84281%0.812SS**  trans-121.3177.5-170.6-145.9-176.6-168.6-1771.9110.2
260D29.6Very low29.4Very low133 Ų133149.2 Ų149.271%0.71182%0.817SS**  trans72.6139.7162.8-54.9-45.7000118
261S32.6Very low29.6Very low108 Ų108152.6 Ų152.676%0.75583%0.828SS**  cis-156.8142.4-17-114.90000110.1
262V28.1Very low29.3Very low143 Ų143146.3 Ų146.387%0.86782%0.82SS**  trans-112.4125.7177.4173.70000109.8
263K32.2Very low29.5Very low178 Ų178147.3 Ų147.377%0.77483%0.825SS**  trans-170143.4156.9-117.4167.2-171.9178.80115
264H30Very low29.3Very low174 Ų174148 Ų14881%0.80682%0.82SS**  trans59.6149.5169.3-54.4-72000117.6
265G26.4Very low29.3Very low64 Ų64149.5 Ų149.566%0.6683%0.827SS**  cis145.3168-900000113.6
266V32.3Very low29.2Very low144 Ų144151.1 Ų151.187%0.87384%0.836SS**  trans82.5132.6170.4-173.90000117.1
267Y25.8Very low29.3Very low212 Ų212148.2 Ų148.283%0.83183%0.83SS**  trans-87.7148.5167.4-107.4-113.9000109.2
268E34.1Very low29.2Very low195 Ų195149.1 Ų149.191%0.91183%0.831SS**  trans-149.9178.7139.7-129.8177.4-165.600114.4
269K33.2Very low29.2Very low182 Ų182150.7 Ų150.779%0.79183%0.829SS**  trans-114.9154.4-157.5-65.7171-177.51660112.8
270S26.1Very low29.3Very low115 Ų115146 Ų14680%0.80483%0.83SS**  trans17.2114.9144.1-50.90000119
271C29.2Very low29.4Very low144 Ų144142.7 Ų142.797%0.97383%0.827SS**  -156.1153.6123.1-120.70000110.9
272G25.9Very low29.2Very low71 Ų71142.5 Ų142.573%0.73283%0.826SS**  trans-133.4134.3178.800000110.8
273L30.3Very low29.3Very low176 Ų176143.9 Ų143.992%0.92183%0.828SS**  trans-132.6133.8174.9-101164.8000109.9
274K27.1Very low29.2Very low195 Ų195146.3 Ų146.385%0.84883%0.832SS**  trans-101.4137.5166.1-66.3178.1179.7176.20108
275Q32.2Very low29.3Very low191 Ų191144.8 Ų144.889%0.89384%0.835SS**  trans-148.3149.8148.4-108.2173.325.100109.4
276N26.4Very low29.4Very low173 Ų173147.1 Ų147.193%0.92584%0.841SS**  trans-100135.1179.9-59.5-47.1000109.2
277G30.1Very low29.5Very low81 Ų81149.9 Ų149.984%0.83584%0.841SS**  trans-131127.116600000109.2
278A26Very low29.6Very low91 Ų91151.1 Ų151.175%0.75284%0.844SS**  trans-116.1-176.5174.800000109.7
279L29.6Very low29.5Very low171 Ų171150 Ų15090%0.89584%0.844SS**  trans79146-178.1-48.4178.6000113.5
280S28.2Very low29.2Very low126 Ų126148.5 Ų148.588%0.88184%0.844SS**  cis-164.7154.3-17.3178.30000110.5
281G30.9Very low29.5Very low63 Ų63155 Ų15565%0.64985%0.851SS**  trans153.394.4175.300000110.6
282S29.2Very low29.5Very low104 Ų104152.8 Ų152.873%0.72784%0.837SS**  63.2125.485-156.90000111.9
283L29.8Very low29.8Very low171 Ų171157.2 Ų157.290%0.89584%0.844SS**  cis-120176.435.5-94.583000116.3
284R31.6Very low29.9Very low229 Ų229158.3 Ų158.386%0.86484%0.841SS**  trans-109140.8-175.7-50165.5-178.6153.2-2.4111.7
285V31.8Very low30.1Very low143 Ų143159.1 Ų159.187%0.86785%0.845SS**  trans-137.5133.8137.1-178.40000108.3
286S27Very low30Very low113 Ų113155.6 Ų155.679%0.7984%0.841SS**  trans-154.1113173-79.20000111.7
287K35Very low30.2Very low201 Ų201150.7 Ų150.787%0.87483%0.832SS**  trans-132.9104.8156.2-68.5179.5178.4176.80104.7
288R27.9Very low30.2Very low239 Ų239154.6 Ų154.690%0.90283%0.834SS**  45.5103.976.8-76.2-172165.9-170-2.8112.4
289L31.2Very low30.5Very low171 Ų171160.1 Ų160.190%0.89584%0.841SS**  -158.4129.5122.9-108.1167.2000110
290N28.5Very low30.6Very low151 Ų151157.2 Ų157.281%0.80784%0.835SS**  trans-88.8145.2168.9-68.9-34.5000109
291R31.9Very low30.5Very low252 Ų252158.1 Ų158.195%0.95183%0.828SS**  trans-162.8143.2131.5-107.2154.2-169.7-171.42.2111.9
292S29.2Very low30.5Very low97 Ų97161.2 Ų161.268%0.67884%0.837SS**  trans-93.8158.6179.153.10000111.3
293N32.2Very low30.5Very low163 Ų163159.9 Ų159.987%0.87283%0.832SS**  -162.8154.2114.1-98.7-23.5000114.4
294K32.3Very low30.4Very low200 Ų200162.9 Ų162.987%0.8783%0.833SS**  trans-77.4151.3174.4-61.3168.8175.3175.40110.7
295K30.7Very low30.3Very low211 Ų211158.2 Ų158.292%0.91783%0.826SS**  -157.7128.2123.1-111.8166.7-176.8178.50111.6
296S30.7Very low30.3Very low117 Ų117156.1 Ų156.182%0.81882%0.823SS**  trans-84.9160.2167.946.90000110.3
297G30.9Very low30.5Very low71 Ų71157.4 Ų157.473%0.73282%0.821SS**  trans-163.253.1-174.500000114.3
298D28.6Very low30.5Very low162 Ų162157.2 Ų157.287%0.86682%0.82SS**  trans-57.3137168.2-72.7-66.5000111.3
299K33.3Very low30.6Very low208 Ų208154.8 Ų154.890%0.90482%0.819SS**  trans-132.5131.1161.7-76.3-172.5177.6177.10109.7
300S32.2Very low30.2Very low110 Ų110154.1 Ų154.177%0.76982%0.816SS**  trans-84.7134.6-167.452.60000113.9
301I24.7Very low30.2Very low144 Ų144152.6 Ų152.674%0.73881%0.814SS**  trans8.5127.8133.3-58.1167.8000116A303I301-A303 HydrophobicContact CG2-CB 3.84Å
302P30.7Very low30Very low129 Ų129147.5 Ų147.584%0.83880%0.804SS**  trans-107.1120133-5.925000109.9
303A29.2Very low29.9Very low76 Ų76149.3 Ų149.363%0.62881%0.811SS**  trans-97.4125.5174.200000109.5I301I301-A303 HydrophobicContact CG2-CB 3.84Å
304Y29.5Very low29.7Very low233 Ų233148.1 Ų148.191%0.91481%0.805SS**  trans-100.7101170.9-122.7-85.9000109.5
305N28.6Very low29.6Very low132 Ų132146.6 Ų146.671%0.70680%0.801SS**  trans-72.8142.3173.5-72.5-17000110.4
306A32.4Very low29.3Very low99 Ų99141.9 Ų141.982%0.81879%0.793SS**  trans-142.179.1170.200000109.3K308A306-K308 PolarHBondContact O-N 3.02Å
307D31.6Very low29.1Very low139 Ų139145.6 Ų145.674%0.74379%0.789SS**  trans-61.3117.5-174.6-60.7-86.7000113.7
308K34.3Very low29Very low198 Ų198151.9 Ų151.986%0.86179%0.79SS**  trans-140.881.1157.3-69.9-161.2177.2-176.80113A306A306-K308 PolarHBondContact O-N 3.02Å
309Q29.4Very low29.1Very low188 Ų188153.8 Ų153.888%0.87979%0.791SS**  trans43.7104.9144.8-62.2178.2-0.400118.3
310L23.6Very low28.7Very low157 Ų157154.7 Ų154.782%0.82279%0.79SS**  trans-77.3138.6155.7-67.8169.4000110.4I312L310-I312 PolarHBondContact O-N 2.92Å
311P27.8Very low28.5Very low119 Ų119156.5 Ų156.577%0.77380%0.797SS**  trans-76.7101.3156.131.2-29.3000108.9V313P311-V313 PolarHBondContact O-N 3.47Å
312I27.4Very low28.8Very low145 Ų145158.2 Ų158.274%0.74480%0.799SS**  trans-69.8124.7163.9-61.8171.3000107.4L310 D314L310-I312 PolarHBondContact O-N 2.92Å; I312-D314 HydrophobicContact CG2-CB 4.31Å
313V28Very low28.6Very low134 Ų134159.2 Ų159.281%0.81280%0.803SS**  trans-12699.4161.9-178.90000107.2P311P311-V313 PolarHBondContact O-N 3.47Å
314D27.6Very low28.8Very low139 Ų139162.4 Ų162.474%0.74381%0.808SS**  trans-100.9107174.5-179.715.2000108.5I312I312-D314 HydrophobicContact CG2-CB 4.31Å
315E30.9Very low28.7Very low168 Ų168160.6 Ų160.679%0.78581%0.808SS**  trans-144.783.4167.1-164173.6-167.300112.5R317E315-R317 PolarHBondContact O-N 2.93Å; E315-R317 VanDerWaalsContact O-N 3.17Å
316C23.6Very low28.7Very low112 Ų112156.7 Ų156.776%0.75780%0.798SS**  trans-69.698.5156.9-79.30000111.1
317R27.3Very low28.5Very low195 Ų195161 Ų16174%0.73680%0.801SS**  trans178.8151.8142-100.7150.6-176.2-163.51.4116.5E315E315-R317 PolarHBondContact O-N 2.93Å; E315-R317 VanDerWaalsContact O-N 3.17Å
318R27.7Very low28.4Very low202 Ų202160.6 Ų160.676%0.76280%0.799SS**  trans51.599.7144.2-63.6165.2175.4178.5-4.5119
319K30.9Very low28.1Very low203 Ų203160.8 Ų160.888%0.88380%0.8SS**  177.7138.699.1-93.4153.2-173.8174.90113.3
320Y25.2Very low28.1Very low226 Ų226156.3 Ų156.389%0.88679%0.789SS**  trans-75.8136.4157.2-82.6-110.4000109.6
321T28.8Very low28.5Very low148 Ų148158.4 Ų158.491%0.90879%0.792SS**  trans-154.1149136.68.20000110.8
322K29.4Very low28.7Very low180 Ų180158.1 Ų158.178%0.78379%0.793SS**  trans-88.5149.5-171.2-56.4165.7-179169.50111.9
323T27.8Very low28.9Very low151 Ų151159.5 Ų159.593%0.92680%0.796SS**  trans-132.151.9142-37.20000110.9
324I32.2Very low28.7Very low143 Ų143158 Ų15873%0.73379%0.79SS**  trans-79.2120.2160.5-64175.1000106.4G326I324-G326 PolarHBondContact O-N 2.94Å
325H27.4Very low28.9Very low195 Ų195161.1 Ų161.190%0.90380%0.797SS**  trans-74.199174.5-160.784.1000108.9
326G28.5Very low28.8Very low49 Ų49161.5 Ų161.551%0.50580%0.799SS.*  trans-129.9121.5-175.200000112.1I324I324-G326 PolarHBondContact O-N 2.94Å
327Q29.5Very low29.2Very low189 Ų189165.7 Ų165.788%0.88381%0.807SS**  trans-80.9121.3137.8-66.6167.5-20.700104.4
328L28.8Very low29.2Very low131 Ų131167.6 Ų167.669%0.68682%0.815SS**  53.6120.367.8-62.9165.3000109.8
329F28.9Very low29.5Very low202 Ų202166.4 Ų166.489%0.88682%0.815SS**  cis-119.4174.830.4-82.9-97.5000116
330S29.1Very low29.7Very low94 Ų94164.1 Ų164.166%0.65781%0.807SS**  trans-138.8179.4-177.160.40000110.3
331K32.6Very low30.1Very low201 Ų201160.4 Ų160.487%0.87480%0.796SS**  trans90.5142.2-171.6-60.4180177.9-177.50113.5
332S31.3Very low30.5Very low114 Ų114158.2 Ų158.280%0.79778%0.778SS**  cis-155.3167.4-5.731.40000113.7
333H31.2Very low30.9Very low174 Ų174156.6 Ų156.681%0.80678%0.778SS**  trans-23.6148.2171.6-94.1-98.9000120.1
334C25Very low31.2Very low103 Ų103157.4 Ų157.470%0.69677%0.772SS**  trans-17.2142.8144.8-42.90000116.8
335F30.3Very low31.5Very low203 Ų203156 Ų15689%0.8977%0.769SS**  -153.5155111.8-113.5-77.1000111
336H28.3Very low32Very low177 Ų177150.2 Ų150.282%0.81976%0.756SS**  trans-82.1134.1162.4-91.721.8000109.4
337Q33.2Very low32.4Very low199 Ų199155.3 Ų155.393%0.9377%0.771SS**  -167.8174.9129-105.7172.648.300111
338R27.9Very low32.8Very low236 Ų236153.3 Ų153.389%0.89177%0.767SS**  trans-109.3160.7-168.4-64176.3172.3169.4-5112.4
339K32.4Very low33.5Very low176 Ų176153.1 Ų153.177%0.76577%0.773SS**  trans79.3135.2159.2-66.6-177.7160.1-159.90118.6
340Q35.6Very low33.9Very low156 Ų156146.7 Ų146.773%0.72976%0.763SS**  trans60.7145.6137.8-70.8174.9-84.100119.3
341K34.9Very low34.3Very low148 Ų148154 Ų15464%0.64378%0.776SS**  cis-167.3156-23.8-150.3-175.5157.4-76.90106.2
342D37Very low34.5Very low101 Ų101153.2 Ų153.254%0.5477%0.773SS.*  trans68.4145.5159.5-52.5-36.5000119.8
343D36.1Very low34.8Very low147 Ų147153.7 Ų153.779%0.78677%0.772SS**  trans57.8143.8139.8-57.2-8.3000121.2
344E34.4Very low34.9Very low168 Ų168151.8 Ų151.879%0.78577%0.767SS**  cis-162.7-177.2-13.7-142-157.8139.500110.6
345V38.1Very low35.2Very low113 Ų113152.3 Ų152.369%0.68577%0.768SS**  trans64.5130.6156.41760000121.2
346A38.2Very low35.1Very low74 Ų74147.9 Ų147.961%0.61276%0.762SS**  trans-70.8171-179.700000116.9
347N38.5Very low35.4Very low155 Ų155145 Ų14583%0.82976%0.762SS**  -169.2162.1108.5-101.1-62.4000114.6
348N37.1Very low35.3Very low148 Ų148143.1 Ų143.179%0.79175%0.753SS**  trans-114.3-150.6-178.4-75-76.8000111.7
349P42.9Very low35.7Very low127 Ų127137.5 Ų137.583%0.82575%0.75SS**  -125.8-176.2-96.441.1-25.7000114.1
350G37.1Very low35.7Very low66 Ų66139.1 Ų139.168%0.6875%0.751SS**  trans-175.4122.4166.400000119.7
351R38.6Very low35.6Very low247 Ų247138.7 Ų138.793%0.93275%0.752SS**  trans64.2162156.6-53-178.8-177.8-146.4-0.4118.1
352K36.4Very low35.4Very low185 Ų185139.3 Ų139.380%0.80476%0.762SS**  165.2143.5-51.7-102-167174.9-172.10107.9
353T37.4Very low35.2Very low125 Ų125140.4 Ų140.477%0.76778%0.777SS**  trans59.8153.3155.847.40000119.5
354D32.8Very low34.9Very low133 Ų133140.4 Ų140.471%0.71177%0.774SS**  cis-168.1170.9-36.4-126.5-51.1000112.3
355T33Very low34.8Very low115 Ų115143.5 Ų143.571%0.70678%0.779SS**  trans59.8120.315350.90000124.6
356S27.8Very low34.5Very low110 Ų110141.8 Ų141.877%0.76978%0.784SS**  90.8165.2124.181.10000123.5
357S33.8Very low34.2Very low116 Ų116144.9 Ų144.981%0.81180%0.795SS**  trans70.2160.5-179.976.30000118.1
358E30.5Very low33.9Very low160 Ų160149.3 Ų149.375%0.74880%0.8SS**  -172.6124.7-53.8177-175.9172.700107.7
359S36.2Very low33.6Very low118 Ų118150.3 Ų150.383%0.82580%0.797SS**  trans164.8165155.939.90000112.3
360R33Very low33Very low209 Ų209154.6 Ų154.679%0.78980%0.804SS**  cis-164.7152.9-47.8-150.6179.8-118.5-173.50.8107.2
361I33Very low32.7Very low147 Ų147156.3 Ų156.375%0.75481%0.805SS**  trans67.2104.5170.3-47.3173.7000114.1
362L30.7Very low32.5Very low162 Ų162149 Ų14985%0.84879%0.792SS**  78.8101.957.4-69.6171.6000116.4
363S33.6Very low32.4Very low124 Ų124145.9 Ų145.987%0.86779%0.791SS**  trans168.3148140.8-178.50000111.3
364M29.5Very low32Very low147 Ų147147 Ų14772%0.72479%0.791SS**  -165.2150.7-53.4-120.5-69.6-91.600109.5
365R32.3Very low32Very low233 Ų233147.2 Ų147.288%0.87979%0.792SS**  trans62.5134.2178.3-62.3172.5167149-5.4116.4
366G32Very low31.9Very low77 Ų77148.2 Ų148.279%0.79479%0.793SS**  cis-176.4125.4-7.700000112.6
367V32.1Very low32.1Very low139 Ų139147.2 Ų147.284%0.84279%0.786SS**  trans-109.1128.5177.8177.20000109.2
368R32.3Very low32Very low247 Ų247147.4 Ų147.493%0.93278%0.782SS**  trans-91.8119.5166.7-71.6-171.8-178.3179.72109.5
369K30.8Very low32.2Very low169 Ų169147.5 Ų147.574%0.73579%0.788SS**  trans-78152.6168-59.4178.5-179.5179.60109.8
370F30.1Very low31.9Very low218 Ų218150.2 Ų150.296%0.95679%0.785SS**  trans-132.6145.9132-91.2-75.1000108.2
371S31.9Very low31.9Very low101 Ų101149.8 Ų149.871%0.70679%0.791SS**  trans-109.7150.7-158.1-51.80000112.9
372S34.2Very low31.7Very low95 Ų95148.1 Ų148.166%0.66479%0.792SS**  trans-85.8165.5154.853.10000111.1
373P33.1Very low31.6Very low119 Ų119145.8 Ų145.877%0.77379%0.79SS**  trans-121.5144.2132.734.8-27.9000110.1
374L29.4Very low31.6Very low147 Ų147146.8 Ų146.877%0.7779%0.79SS**  cis80144.529.9-74.6171.5000116.8
375N33.3Very low31.5Very low139 Ų139150.8 Ų150.874%0.74380%0.798SS**  trans97.5144.8-179.6-57.7-11.1000115
376N31.1Very low31.2Very low135 Ų135145.6 Ų145.672%0.72280%0.797SS**  cis-167.1163.3-18.2-103-13000108.5
377S32.2Very low31.1Very low89 Ų89147 Ų14762%0.62279%0.794SS**  cis-169.2142.6-15.846.70000112
378V31.7Very low30.9Very low121 Ų121147.8 Ų147.873%0.73380%0.8SS**  trans48.5117.6138.9-179.40000120
379N33.3Very low30.9Very low161 Ų161140.8 Ų140.886%0.86179%0.789SS**  -156164.4111.2-120.1-33.7000113.9
380K31.4Very low30.7Very low175 Ų175141.5 Ų141.576%0.76179%0.792SS**  trans-124.7140.9-171.1-57.9171.9-177.6171.40112.2
381H32.1Very low30.8Very low201 Ų201138.6 Ų138.693%0.93179%0.786SS**  trans-137.6165.2144.2-80.5-73.9000109.8
382S28.9Very low30.6Very low111 Ų111141.8 Ų141.878%0.77679%0.788SS**  trans-141.5153.1-147.556.40000115.7
383S29.4Very low30.5Very low113 Ų113146.8 Ų146.879%0.7979%0.792SS**  trans68.391.8152.6-1780000118.4
384V32.4Very low30.5Very low146 Ų146149 Ų14989%0.88579%0.794SS**  trans-126.7150.6142-179.70000109.1
385R28.2Very low30.6Very low231 Ų231147.9 Ų147.987%0.87279%0.793SS**  trans-56.1156.6-168.7-72.8167.7159.8143.8-9.6115.6S387R385-S387 PolarHBondContact O-N 3.16Å
386S25.7Very low30.5Very low124 Ų124150 Ų15087%0.86780%0.799SS**  trans-63.6121.4164.3-46.70000111.7
387S29.5Very low30.4Very low106 Ų106151.5 Ų151.574%0.74180%0.801SS**  trans-119128.2163.4-77.20000109.7R385 S389R385-S387 PolarHBondContact O-N 3.16Å; S387-S389 PolarHBondContact O-N 3.32Å
388T27.7Very low30.3Very low155 Ų155152.8 Ų152.895%0.95181%0.805SS**  trans-93.576.9177.651.50000110.9
389S32.3Very low30.3Very low101 Ų101152.6 Ų152.671%0.70681%0.809SS**  trans-111.7158.8168.650.40000111.3S387S387-S389 PolarHBondContact O-N 3.32Å
390K27.9Very low30.3Very low184 Ų184149.9 Ų149.980%0.880%0.8SS**  trans-77.7146.1173.1-55.8152.2-176.6166.40108
391D32.1Very low30.4Very low156 Ų156146.5 Ų146.583%0.83480%0.798SS**  trans-153.8139.9146.3-106.8-37.8000112.8
392F27.6Very low30.6Very low169 Ų169144.1 Ų144.174%0.74179%0.791SS**  trans-103.974.3-177.6-89.2-99.4000110.9M394F392-M394 PolarHBondContact O-N 3.15Å
393R32Very low30.8Very low199 Ų199147 Ų14775%0.75179%0.786SS**  trans-76.890.2163.3-69.6-161-174.7-142.45.9110.3
394M31.9Very low31Very low167 Ų167151.9 Ų151.982%0.82379%0.786SS**  trans-63.1136.9160.9-70.4-140.7-63.500109.3F392 Q396F392-M394 PolarHBondContact O-N 3.15Å; M394-Q396 PolarHBondContact O-N 3.37Å
395V32.4Very low31Very low122 Ų122150.3 Ų150.374%0.73977%0.772SS**  trans-7991.9-174.1-179.30000110.4H397V395-H397 HydrophobicContact CG1-CB 4.18Å; V395-H397 PolarHBondContact O-N 3.14Å
396Q31Very low31.3Very low185 Ų185144 Ų14486%0.86476%0.76SS**  trans-75.950.4179.2-166.6177.8-9.700112.6M394M394-Q396 PolarHBondContact O-N 3.37Å
397H28.3Very low31.8Very low165 Ų165145 Ų14576%0.76475%0.751SS**  trans-135.972.1-175.8-69.1-58.3000114V395V395-H397 HydrophobicContact CG1-CB 4.18Å; V395-H397 PolarHBondContact O-N 3.14Å
398V31.7Very low32Very low117 Ų117144.1 Ų144.171%0.70975%0.745SS**  trans-135.437.5163-157.70000111.7
399S29.9Very low32.4Very low117 Ų117144.2 Ų144.282%0.81874%0.736SS**  trans-141.275.2-179.3-65.50000112.9
400P34.1Very low32.5Very low104 Ų104144.1 Ų144.168%0.67573%0.732SS**SBendtrans-136-19.6133.412.88.2000115L402 R403P400-L402 PolarHBondContact O-N 3.32Å; P400-R403 PolarHBondContact O-N 2.89Å
401S33.6Very low32.9Very low104 Ų104143.2 Ų143.273%0.72774%0.735SS**THydrogen-bonded Turntrans-63.7-20.9-163.7-490000115.6
402L35.3Very low33.1Very low150 Ų150143.3 Ų143.379%0.78573%0.731SS**THydrogen-bonded Turntrans-75.5-37.9-179-92154.5000113.6P400 R404 L405P400-L402 PolarHBondContact O-N 3.32Å; L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.05Å; L402-L405 PolarHBondContact O-N 3.34Å
403R34.3Very low33.3Very low173 Ų173140.4 Ų140.465%0.65373%0.731SS**Hα-helixtrans-65-30.8-177.7-96.3-175.9170.5178.4-5.4113.1P400 L405 T406P400-R403 PolarHBondContact O-N 2.89Å; R403-L405 VanDerWaalsContact C-N 3.34Å; R403-L405 PolarHBondContact O-N 3.04Å; R403-T406 PolarHBondContact O-OG1 3.37Å
404R32.8Very low33.3Very low214 Ų214136.9 Ų136.981%0.80874%0.736SS**Hα-helixtrans-73.7-18.3178.4-86.8-172.7171.4179-2.3114.5L402L402-R404 VanDerWaalsContact C-N 3.3Å; L402-R404 PolarHBondContact O-N 3.05Å
405L33.5Very low33.6Very low113 Ų113134.7 Ų134.759%0.59273%0.732SS**Hα-helixtrans-86.9-25.4177.5-135.979.7000112.7L402 R403L402-L405 PolarHBondContact O-N 3.34Å; R403-L405 VanDerWaalsContact C-N 3.34Å; R403-L405 PolarHBondContact O-N 3.04Å
406T33.7Very low33.6Very low99 Ų99131.9 Ų131.961%0.60773%0.728SS**Hα-helixtrans-82.8-13.4179.245.50000113.9R403R403-T406 PolarHBondContact O-OG1 3.37Å
407Q35.6Very low33.8Very low144 Ų144129.1 Ų129.167%0.67373%0.726SS**SBendtrans-99.2-5-178.2-70.5178.3-40.100114
408S34.2Very low33.9Very low88 Ų88127.6 Ų127.662%0.61572%0.723SS**SBendtrans-11024.2177.873.80000113.2
409M37Very low33.9Very low157 Ų157127.2 Ų127.277%0.77373%0.726SS**SBendtrans-1204.7-177.6-72.7-65.2-58.200112.8
410T34Very low34.3Very low100 Ų100127.1 Ų127.161%0.61373%0.725SS**SBendtrans-109.8136.9171.447.50000108.2
411N35.9Very low34.5Very low164 Ų164126 Ų12688%0.87772%0.719SS**SBendtrans98.815.1176.8-50.1-2.1000118.3
412E35.6Very low34.7Very low159 Ų159132.6 Ų132.674%0.74373%0.728SS**  trans-116.4106.5156.8-76.5-172.7163.400109.7C414E412-C414 PolarHBondContact O-N 2.97Å
413S32.4Very low34.9Very low107 Ų107128 Ų12875%0.74872%0.716SS**  trans-7898.5-171.833.90000112.5T415S413-T415 VanDerWaalsContact C-N 3.25Å; S413-T415 PolarHBondContact O-N 3.4Å
414C31.6Very low35.4Very low126 Ų126125.3 Ų125.385%0.85171%0.711SS**  trans-74.273172-63.70000112.3E412 G416E412-C414 PolarHBondContact O-N 2.97Å; C414-G416 PolarHBondContact O-N 3.18Å
415T38.1Very low35.9Very low121 Ų121120.1 Ų120.174%0.74270%0.703SS**  trans-71.4115.2173.750.40000111.9S413S413-T415 VanDerWaalsContact C-N 3.25Å; S413-T415 PolarHBondContact O-N 3.4Å
416G33.5Very low36.9Very low62 Ų62118 Ų11864%0.63970%0.696SS**  trans71.3148.3161.100000117C414 D418C414-G416 PolarHBondContact O-N 3.18Å; G416-D418 PolarHBondContact O-N 3.36Å
417P35.3Very low38Very low127 Ų127117.5 Ų117.583%0.82569%0.689SS**SBendtrans-79.5-3170.834.1-34.4000113.3
418D30.5Very low39.3Very low133 Ų133115.6 Ų115.671%0.71168%0.681SS**SBendtrans-104.4128.5-165.6-63.5-59.6000113.5G416G416-D418 PolarHBondContact O-N 3.36Å
419S31Very low41.1Very low109 Ų109117.1 Ų117.176%0.76268%0.681SS**SBendtrans77159.3174.984.60000118.7C421S419-C421 PolarHBondContact O-N 3.01Å
420S37.3Very low42.8Very low116 Ų116115.1 Ų115.181%0.81167%0.673SS**SBendtrans63-50.3169.4-1570000120.5R422S420-R422 PolarHBondContact O-N 2.87Å
421C38.4Very low44.8Very low81 Ų81117 Ų11755%0.54767%0.673SS.*  trans-67.416.3-153.6-640000119.4S419 G423 H424S419-C421 PolarHBondContact O-N 3.01Å; C421-G423 PolarHBondContact O-N 3.41Å; C421-H424 PolarHBondContact O-N 2.96Å
422R38.5Very low46.5Very low242 Ų242112.3 Ų112.391%0.91366%0.656SS**THydrogen-bonded Turntrans-61-19.1-172.5-142179.5-162.3-138.85.1114.8S420S420-R422 PolarHBondContact O-N 2.87Å
423G39.3Very low48.6Very low52 Ų52108.5 Ų108.554%0.53664%0.644SS.*THydrogen-bonded Turntrans-95.1-9.3175.800000116C421C421-G423 PolarHBondContact O-N 3.41Å
424H45.7Very low50.6Low118 Ų118108.7 Ų108.755%0.54663%0.633SS.*THydrogen-bonded Turntrans-95.5-28.1-175.4-78.9-8.3000114.5C421 P426 N427 H428C421-H424 PolarHBondContact O-N 2.96Å; H424-P426 VanDerWaalsContact C-CD 3.48Å; H424-P426 VanDerWaalsContact C-N 3.34Å; H424-N427 PolarHBondContact O-N 3.17Å; H424-H428 PolarHBondContact O-N 2.97Å
425V42.2Very low52.7Low104 Ų104104.1 Ų104.163%0.6361%0.607SS**Hα-helixtrans-53.7-43176.2-174.40000112.8N427 L429V425-N427 PolarHBondContact O-N 3.11Å; V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 PolarHBondContact O-N 2.94Å; V425-L429 VanDerWaalsContact O-N 3.09Å
426P54.6Low54.5Low69 Ų69100.8 Ų100.845%0.44859%0.592SS.*Hα-helixtrans-61.5-40.6175-22.934.9000113.2H424 L429 L430H424-P426 VanDerWaalsContact C-CD 3.48Å; H424-P426 VanDerWaalsContact C-N 3.34Å; P426-L429 PolarHBondContact O-N 3.12Å; P426-L430 WeakPolarHBondContact O-CB 3.16Å; P426-L430 VanDerWaalsContact O-CG 3.29Å; P426-L430 WeakPolarHBondContact O-CG 3.31Å; P426-L430 PolarHBondContact O-N 3.25Å
427N57.1Low56.7Low88 Ų88101.4 Ų101.447%0.47158%0.58SS.*Hα-helixtrans-72-37.5-176.7-72.7-6.7000112.4H424 V425 L430 K431H424-N427 PolarHBondContact O-N 3.17Å; V425-N427 PolarHBondContact O-N 3.11Å; N427-L430 PolarHBondContact O-N 3.37Å; N427-K431 WeakPolarHBondContact O-CB 3.43Å; N427-K431 WeakPolarHBondContact O-CG 3.33Å; N427-K431 PolarHBondContact O-N 3.41Å
428H62.2Low58.8Low105 Ų105102.5 Ų102.549%0.48657%0.567SS.*Hα-helixtrans-64.6-40.7170.4-82.7-91.3000111.7H424 K431 A432H424-H428 PolarHBondContact O-N 2.97Å; H428-K431 PolarHBondContact O-N 3.09Å; H428-A432 VanDerWaalsContact O-CB 3.32Å; H428-A432 WeakPolarHBondContact O-CB 3.43Å; H428-A432 PolarHBondContact O-N 2.96Å
429L73Confident61Low120 Ų120101.5 Ų101.563%0.62856%0.561SS**Hα-helixtrans-64.2-41.7177-15278.7000111.6V425 P426 A432 V433V425-L429 WeakPolarHBondContact O-CB 3.28Å; V425-L429 PolarHBondContact O-N 2.94Å; V425-L429 VanDerWaalsContact O-N 3.09Å; P426-L429 PolarHBondContact O-N 3.12Å; L429-A432 PolarHBondContact O-N 3.37Å; L429-V433 WeakPolarHBondContact O-CB 3.36Å; L429-V433 VanDerWaalsContact O-CG2 3.27Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3Å
430L73.8Confident63.3Low114 Ų114100 Ų10060%0.59755%0.551SS**Hα-helixtrans-62.9-50175.2-74.8166.7000111.9P426 N427 A432 V433 E434P426-L430 WeakPolarHBondContact O-CB 3.16Å; P426-L430 VanDerWaalsContact O-CG 3.29Å; P426-L430 WeakPolarHBondContact O-CG 3.31Å; P426-L430 PolarHBondContact O-N 3.25Å; N427-L430 PolarHBondContact O-N 3.37Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.04Å; L430-V433 PolarHBondContact O-N 2.99Å; L430-E434 WeakPolarHBondContact O-CB 3.35Å; L430-E434 PolarHBondContact O-N 2.76Å
431K74.4Confident65.3Low141 Ų141102.6 Ų102.661%0.61354%0.543SS*.Hα-helixtrans-56.8-42.8175.3-76.6-179.1177-179.40111.8N427 H428 E434 G435N427-K431 WeakPolarHBondContact O-CB 3.43Å; N427-K431 WeakPolarHBondContact O-CG 3.33Å; N427-K431 PolarHBondContact O-N 3.41Å; H428-K431 PolarHBondContact O-N 3.09Å; K431-E434 PolarHBondContact O-N 3.4Å; K431-G435 PolarHBondContact O-N 3.06Å
432A72.5Confident67.2Low64 Ų64103.1 Ų103.153%0.52954%0.541SS..Hα-helixtrans-66.9-41.7178.600000112.7H428 L429 L430 G435 A436H428-A432 VanDerWaalsContact O-CB 3.32Å; H428-A432 WeakPolarHBondContact O-CB 3.43Å; H428-A432 PolarHBondContact O-N 2.96Å; L429-A432 PolarHBondContact O-N 3.37Å; L430-A432 VanDerWaalsContact C-N 3.31Å; L430-A432 PolarHBondContact O-N 3.04Å; A432-G435 PolarHBondContact O-N 3.45Å; A432-A436 WeakPolarHBondContact O-CB 3.3Å; A432-A436 PolarHBondContact O-N 3.03Å
433V78.5Confident69.3Low79 Ų7996.8 Ų96.848%0.47952%0.521SS..Hα-helixtrans-65.2-42175.1167.20000111.1L429 L430 A436 I437L429-V433 WeakPolarHBondContact O-CB 3.36Å; L429-V433 VanDerWaalsContact O-CG2 3.27Å; L429-V433 WeakPolarHBondContact O-CG2 3.28Å; L429-V433 PolarHBondContact O-N 3Å; L430-V433 PolarHBondContact O-N 2.99Å; V433-A436 PolarHBondContact O-N 3.15Å; V433-I437 HydrophobicContact CG1-CD1 3.76Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 VanDerWaalsContact O-CG1 3.27Å; V433-I437 WeakPolarHBondContact O-CG1 3.36Å; V433-I437 PolarHBondContact O-N 3.18Å
434E75.7Confident71.1Confident112 Ų11297.3 Ų97.352%0.52351%0.509SS..Hα-helixtrans-62.4-45175.8-165.2-165.6149.100111.6L430 K431 A436 I437 R438L430-E434 WeakPolarHBondContact O-CB 3.35Å; L430-E434 PolarHBondContact O-N 2.76Å; K431-E434 PolarHBondContact O-N 3.4Å; E434-A436 PolarHBondContact O-N 3.1Å; E434-I437 PolarHBondContact O-N 2.96Å; E434-R438 WeakPolarHBondContact O-CG 3.39Å; E434-R438 PolarHBondContact O-N 3.05Å
435G76.2Confident72.7Confident30 Ų3095.2 Ų95.231%0.30951%0.505SS..Hα-helixtrans-58-44.8173.900000112.6K431 A432 I437 R438 L439K431-G435 PolarHBondContact O-N 3.06Å; A432-G435 PolarHBondContact O-N 3.45Å; G435-I437 PolarHBondContact O-N 2.84Å; G435-R438 PolarHBondContact O-N 3.14Å; G435-L439 WeakPolarHBondContact O-CG 3.33Å; G435-L439 PolarHBondContact O-N 2.75Å
436A76.1Confident74.5Confident51 Ų5193.3 Ų93.342%0.42149%0.494SS..Hα-helixtrans-64.2-37.7175.500000112.9A432 V433 E434 S440A432-A436 WeakPolarHBondContact O-CB 3.3Å; A432-A436 PolarHBondContact O-N 3.03Å; V433-A436 PolarHBondContact O-N 3.15Å; E434-A436 PolarHBondContact O-N 3.1Å; A436-S440 VanDerWaalsContact O-CB 3.25Å; A436-S440 WeakPolarHBondContact O-CB 3.23Å; A436-S440 PolarHBondContact O-N 2.97Å; A436-S440 PolarHBondContact O-OG 3.02Å
437I77.8Confident75.7Confident75 Ų7595.5 Ų95.539%0.38549%0.493SS..Hα-helixtrans-65.7-41.8174.5-71.5165.3000111V433 E434 G435 S440 R441V433-I437 HydrophobicContact CG1-CD1 3.76Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 VanDerWaalsContact O-CG1 3.27Å; V433-I437 WeakPolarHBondContact O-CG1 3.36Å; V433-I437 PolarHBondContact O-N 3.18Å; E434-I437 PolarHBondContact O-N 2.96Å; G435-I437 PolarHBondContact O-N 2.84Å; I437-S440 PolarHBondContact O-N 3.24Å; I437-R441 WeakPolarHBondContact O-CG 3.5Å; I437-R441 PolarHBondContact O-N 3.49Å
438R79.2Confident76.6Confident149 Ų14997.8 Ų97.856%0.56250%0.495SS*.Hα-helixtrans-62.6-53.7176.3-73.8173.259.3176.8-4.3111.5E434 G435 S440 R441 D442E434-R438 WeakPolarHBondContact O-CG 3.39Å; E434-R438 PolarHBondContact O-N 3.05Å; G435-R438 PolarHBondContact O-N 3.14Å; R438-S440 PolarHBondContact O-N 3.43Å; R438-R441 WeakPolarHBondContact O-CA 3.44Å; R438-R441 WeakPolarHBondContact O-CB 3.2Å; R438-R441 PolarHBondContact O-N 3.41Å; R438-D442 PolarHBondContact O-N 2.92Å
439L77.4Confident77.3Confident112 Ų11298.8 Ų98.859%0.58650%0.5SS*.Hα-helixtrans-57.2-37.6176.1-68.8170.9000112.5G435 D442 H443G435-L439 WeakPolarHBondContact O-CG 3.33Å; G435-L439 PolarHBondContact O-N 2.75Å; L439-D442 PolarHBondContact O-N 2.95Å; L439-H443 WeakPolarHBondContact O-CB 3.4Å; L439-H443 PolarHBondContact O-N 3.02Å
440S78.8Confident77.4Confident79 Ų7998.5 Ų98.555%0.55250%0.495SS*.Hα-helixtrans-66.5-37.4175.7-62.40000112.9A436 I437 R438 H444A436-S440 VanDerWaalsContact O-CB 3.25Å; A436-S440 WeakPolarHBondContact O-CB 3.23Å; A436-S440 PolarHBondContact O-N 2.97Å; A436-S440 PolarHBondContact O-OG 3.02Å; I437-S440 PolarHBondContact O-N 3.24Å; R438-S440 PolarHBondContact O-N 3.43Å; S440-H444 WeakPolarHBondContact O-CB 3.44Å; S440-H444 PolarHBondContact O-N 3Å
441R79.8Confident77.3Confident169 Ų16997.4 Ų97.464%0.63849%0.49SS*.Hα-helixtrans-65.3-49.5172.9-77.7173.5167.6160.7-3.2110.9I437 R438 H443 H444 T445I437-R441 WeakPolarHBondContact O-CG 3.5Å; I437-R441 PolarHBondContact O-N 3.49Å; R438-R441 WeakPolarHBondContact O-CA 3.44Å; R438-R441 WeakPolarHBondContact O-CB 3.2Å; R438-R441 PolarHBondContact O-N 3.41Å; R441-H443 PolarHBondContact O-N 3.27Å; R441-H444 WeakPolarHBondContact O-CA 3.45Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.92Å; R441-T445 PolarHBondContact O-N 3.04Å; R441-T445 PolarHBondContact O-OG1 2.81Å; R441-T445 VanDerWaalsContact O-OG1 3.1Å
442D77.9Confident77.1Confident93 Ų9393.2 Ų93.250%0.49748%0.481SS..Hα-helixtrans-61.9-47.9-175.6-62-24.2000111.7R438 L439 H444 T445 V446R438-D442 PolarHBondContact O-N 2.92Å; L439-D442 PolarHBondContact O-N 2.95Å; D442-H444 VanDerWaalsContact C-N 3.28Å; D442-H444 PolarHBondContact O-N 3.49Å; D442-T445 WeakPolarHBondContact O-CB 3.27Å; D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 VanDerWaalsContact O-N 3.11Å; D442-V446 PolarHBondContact O-N 3.4Å
443H82.5Confident77Confident108 Ų10892.3 Ų92.350%0.547%0.474SS..Hα-helixtrans-61.4-33.6173.8167.2-115.2000112.6L439 R441 R447L439-H443 WeakPolarHBondContact O-CB 3.4Å; L439-H443 PolarHBondContact O-N 3.02Å; R441-H443 PolarHBondContact O-N 3.27Å; H443-R447 PolarHBondContact CE1-NH2 3.33Å; H443-R447 PolarHBondContact NE2-NH2 3.06Å; H443-R447 VanDerWaalsContact NE2-NH2 3.15Å; H443-R447 VanDerWaalsContact O-CB 3.31Å; H443-R447 WeakPolarHBondContact O-CB 3.34Å; H443-R447 PolarHBondContact O-N 2.78Å
444H77.5Confident76.5Confident64 Ų6492.2 Ų92.230%0.29647%0.471SS..Hα-helixtrans-70.8-35174.5-161-24.2000112.2Y124 S440 R441 D442 R447 R448Y124-H444 AromaticContact CD1-NE2 3.97Å; Y124-H444 AromaticContact CE1-NE2 3.77Å; S440-H444 WeakPolarHBondContact O-CB 3.44Å; S440-H444 PolarHBondContact O-N 3Å; R441-H444 WeakPolarHBondContact O-CA 3.45Å; R441-H444 WeakPolarHBondContact O-CB 3.4Å; R441-H444 PolarHBondContact O-N 2.92Å; D442-H444 VanDerWaalsContact C-N 3.28Å; D442-H444 PolarHBondContact O-N 3.49Å; H444-R447 PolarHBondContact O-N 3.1Å; H444-R448 WeakPolarHBondContact O-CG 3.25Å; H444-R448 PolarHBondContact O-N 3.48Å
445T80.5Confident76Confident74 Ų7490 Ų9045%0.45447%0.468SS..Hα-helixtrans-65-49.6174.8-56.60000111.1R441 D442 R447 R448 Q449R441-T445 PolarHBondContact O-N 3.04Å; R441-T445 PolarHBondContact O-OG1 2.81Å; R441-T445 VanDerWaalsContact O-OG1 3.1Å; D442-T445 WeakPolarHBondContact O-CB 3.27Å; D442-T445 PolarHBondContact O-N 3.14Å; D442-T445 VanDerWaalsContact O-N 3.11Å; T445-R447 VanDerWaalsContact C-N 3.3Å; T445-R447 PolarHBondContact O-N 3.11Å; T445-R448 WeakPolarHBondContact O-CB 3.47Å; T445-R448 PolarHBondContact O-N 2.68Å; T445-R448 VanDerWaalsContact O-N 3.09Å; T445-Q449 PolarHBondContact O-N 2.96Å
446V78.8Confident75.3Confident64 Ų6493.1 Ų93.139%0.38848%0.476SS..Hα-helixtrans-57.9-43.3174.6174.80000110.8D442 R448 Q449 H450D442-V446 PolarHBondContact O-N 3.4Å; V446-R448 PolarHBondContact O-N 3.06Å; V446-Q449 PolarHBondContact O-N 2.78Å; V446-H450 WeakPolarHBondContact O-CB 3.46Å; V446-H450 PolarHBondContact O-N 3.05Å
447R79.9Confident74.2Confident114 Ų11494.1 Ų94.143%0.4347%0.472SS..Hα-helixtrans-63.3-35.9176.2-174.2175.5-69-164.3-4.9113H443 H444 T445 N451H443-R447 PolarHBondContact CE1-NH2 3.33Å; H443-R447 PolarHBondContact NE2-NH2 3.06Å; H443-R447 VanDerWaalsContact NE2-NH2 3.15Å; H443-R447 VanDerWaalsContact O-CB 3.31Å; H443-R447 WeakPolarHBondContact O-CB 3.34Å; H443-R447 PolarHBondContact O-N 2.78Å; H444-R447 PolarHBondContact O-N 3.1Å; T445-R447 VanDerWaalsContact C-N 3.3Å; T445-R447 PolarHBondContact O-N 3.11Å; R447-N451 WeakPolarHBondContact O-CB 3.4Å; R447-N451 PolarHBondContact O-N 3.21Å; R447-N451 PolarHBondContact O-OD1 2.91Å
448R76.8Confident72.9Confident136 Ų136100.2 Ų100.251%0.51349%0.49SS..Hα-helixtrans-64.3-46.5173.2-75.9-179.6-173-121.54.2111.2Y124 H444 T445 V446 N451 A452Y124-R448 VanDerWaalsContact CZ-NH2 3.33Å; Y124-R448 PolarHBondContact OH-NH2 2.95Å; Y124-R448 VanDerWaalsContact OH-NH2 3.12Å; H444-R448 WeakPolarHBondContact O-CG 3.25Å; H444-R448 PolarHBondContact O-N 3.48Å; T445-R448 WeakPolarHBondContact O-CB 3.47Å; T445-R448 PolarHBondContact O-N 2.68Å; T445-R448 VanDerWaalsContact O-N 3.09Å; V446-R448 PolarHBondContact O-N 3.06Å; R448-N451 PolarHBondContact O-N 3.19Å; R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.06Å
449Q76.3Confident71.7Confident126 Ų12697.7 Ų97.759%0.58949%0.488SS*.Hα-helixtrans-61.2-47.9178.5-70.1171.3-25.500111.6T445 V446 N451 A452 A453T445-Q449 PolarHBondContact O-N 2.96Å; V446-Q449 PolarHBondContact O-N 2.78Å; Q449-N451 PolarHBondContact O-N 2.95Å; Q449-A452 PolarHBondContact O-N 3.47Å; Q449-A452 VanDerWaalsContact O-N 3.16Å; Q449-A453 PolarHBondContact O-N 3.2Å
450H74.4Confident70.2Confident114 Ų114100.4 Ų100.453%0.52849%0.49SS..Hα-helixtrans-60.2-41.2176.2-178.4-108.5000112.6V446 N454V446-H450 WeakPolarHBondContact O-CB 3.46Å; V446-H450 PolarHBondContact O-N 3.05Å; H450-N454 PolarHBondContact CE1-ND2 3.21Å; H450-N454 PolarHBondContact ND1-ND2 2.88Å; H450-N454 PolarHBondContact NE2-ND2 3.02Å; H450-N454 VanDerWaalsContact NE2-ND2 3.13Å; H450-N454 WeakPolarHBondContact O-CB 3.49Å; H450-N454 PolarHBondContact O-N 2.92Å; H450-N454 PolarHBondContact O-ND2 3.46Å
451N71.8Confident68.5Low91 Ų91103.6 Ų103.649%0.48749%0.491SS..Hα-helixtrans-67.4-35.6175.4-74-0.9000112.6R447 R448 Q449 S455R447-N451 WeakPolarHBondContact O-CB 3.4Å; R447-N451 PolarHBondContact O-N 3.21Å; R447-N451 PolarHBondContact O-OD1 2.91Å; R448-N451 PolarHBondContact O-N 3.19Å; Q449-N451 PolarHBondContact O-N 2.95Å; N451-S455 WeakPolarHBondContact O-CB 3.37Å; N451-S455 PolarHBondContact O-N 3.22Å
452A71.3Confident67.2Low53 Ų5397.9 Ų97.944%0.43848%0.477SS..Hα-helixtrans-66.6-46.3175.500000111.6R448 Q449 N454 S455 I456R448-A452 WeakPolarHBondContact O-CB 3.42Å; R448-A452 PolarHBondContact O-N 3.06Å; Q449-A452 PolarHBondContact O-N 3.47Å; Q449-A452 VanDerWaalsContact O-N 3.16Å; A452-N454 PolarHBondContact O-N 2.96Å; A452-S455 WeakPolarHBondContact O-CB 3.39Å; A452-S455 PolarHBondContact O-N 3.04Å; A452-I456 WeakPolarHBondContact O-CG1 3.42Å; A452-I456 PolarHBondContact O-N 3.48Å
453A69.8Low65.8Low46 Ų46101.3 Ų101.338%0.3849%0.488SS..Hα-helixtrans-58.3-46.6174.900000111.8Q449 S455 I456 H457Q449-A453 PolarHBondContact O-N 3.2Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 3.39Å; A453-I456 PolarHBondContact O-N 3.34Å; A453-H457 PolarHBondContact O-CD2 3.48Å; A453-H457 PolarHBondContact O-N 3.29Å
454N67.4Low64Low77 Ų77101.9 Ų101.941%0.41249%0.49SS..Hα-helixtrans-66.7-32.2177.5-75.6-44.2000113.3H450 A452 H457 R458H450-N454 PolarHBondContact CE1-ND2 3.21Å; H450-N454 PolarHBondContact ND1-ND2 2.88Å; H450-N454 PolarHBondContact NE2-ND2 3.02Å; H450-N454 VanDerWaalsContact NE2-ND2 3.13Å; H450-N454 WeakPolarHBondContact O-CB 3.49Å; H450-N454 PolarHBondContact O-N 2.92Å; H450-N454 PolarHBondContact O-ND2 3.46Å; A452-N454 PolarHBondContact O-N 2.96Å; N454-H457 PolarHBondContact O-N 3.2Å; N454-R458 WeakPolarHBondContact O-CB 3.44Å; N454-R458 PolarHBondContact O-N 2.92Å
455S66.8Low62.4Low65 Ų65103.3 Ų103.346%0.45550%0.5SS..Hα-helixtrans-63.2-43.6171.6-175.20000111.6N451 A452 A453 R458 N459N451-S455 WeakPolarHBondContact O-CB 3.37Å; N451-S455 PolarHBondContact O-N 3.22Å; A452-S455 WeakPolarHBondContact O-CB 3.39Å; A452-S455 PolarHBondContact O-N 3.04Å; A453-S455 VanDerWaalsContact C-N 3.34Å; A453-S455 PolarHBondContact O-N 3.39Å; S455-R458 PolarHBondContact O-N 3.3Å; S455-N459 WeakPolarHBondContact O-CB 3.49Å; S455-N459 PolarHBondContact O-N 2.77Å; S455-N459 PolarHBondContact O-ND2 2.95Å; S455-N459 VanDerWaalsContact O-ND2 3.16Å
456I60.1Low60.5Low96 Ų96105.6 Ų105.649%0.49251%0.505SS..Hα-helixtrans-62.3-45.7175.7-65.3164.5000110.7A452 A453 N459 R460A452-I456 WeakPolarHBondContact O-CG1 3.42Å; A452-I456 PolarHBondContact O-N 3.48Å; A453-I456 PolarHBondContact O-N 3.34Å; I456-N459 PolarHBondContact O-N 2.87Å; I456-R460 WeakPolarHBondContact O-CG 3.41Å; I456-R460 PolarHBondContact O-N 3.03Å
457H54.2Low58.7Low72 Ų72111.7 Ų111.733%0.33352%0.521SS..Hα-helixtrans-61.5-47175.4-87.6-79.3000112.6A453 N454 N459 R460 Y461A453-H457 PolarHBondContact O-CD2 3.48Å; A453-H457 PolarHBondContact O-N 3.29Å; N454-H457 PolarHBondContact O-N 3.2Å; H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 PolarHBondContact O-N 3.06Å; H457-R460 PolarHBondContact O-N 3.04Å; H457-R460 VanDerWaalsContact O-N 3.12Å; H457-Y461 AromaticContact ND1-CE2 3.95Å; H457-Y461 VanDerWaalsContact O-CD2 3.3Å; H457-Y461 WeakPolarHBondContact O-CD2 3.48Å; H457-Y461 PolarHBondContact O-N 3.49Å
458R50Low56.8Low202 Ų202110.1 Ų110.176%0.76252%0.521SS*.Hα-helixtrans-62.6-38.3-178.9-160.4171.3-168.5157.32.3111.9N454 S455 S462N454-R458 WeakPolarHBondContact O-CB 3.44Å; N454-R458 PolarHBondContact O-N 2.92Å; S455-R458 PolarHBondContact O-N 3.3Å; R458-S462 VanDerWaalsContact O-CB 3.28Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.4Å
459N54.8Low55Low96 Ų96111.7 Ų111.751%0.51353%0.528SS..Hα-helixtrans-68.8-33.4174.2-76.1-36.1000113.4S455 I456 H457 K463S455-N459 WeakPolarHBondContact O-CB 3.49Å; S455-N459 PolarHBondContact O-N 2.77Å; S455-N459 PolarHBondContact O-ND2 2.95Å; S455-N459 VanDerWaalsContact O-ND2 3.16Å; I456-N459 PolarHBondContact O-N 2.87Å; H457-N459 VanDerWaalsContact C-N 3.31Å; H457-N459 PolarHBondContact O-N 3.06Å; N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.85Å
460R44.7Very low53.4Low170 Ų170112.6 Ų112.664%0.64253%0.532SS*.Hα-helixtrans-66.9-50.7171.7-72.3-179.1-172.2179.24111.4I456 H457 K463 H464I456-R460 WeakPolarHBondContact O-CG 3.41Å; I456-R460 PolarHBondContact O-N 3.03Å; H457-R460 PolarHBondContact O-N 3.04Å; H457-R460 VanDerWaalsContact O-N 3.12Å; R460-K463 PolarHBondContact O-N 3Å; R460-H464 PolarHBondContact O-N 3.41Å
461Y43.3Very low52Low146 Ų146110.1 Ų110.157%0.57353%0.525SS*.Hα-helixtrans-67-38.6-178.1-75.8-65000113.2H457 H464 L465H457-Y461 AromaticContact ND1-CE2 3.95Å; H457-Y461 VanDerWaalsContact O-CD2 3.3Å; H457-Y461 WeakPolarHBondContact O-CD2 3.48Å; H457-Y461 PolarHBondContact O-N 3.49Å; Y461-H464 PolarHBondContact O-N 3.44Å; Y461-L465 WeakPolarHBondContact O-CG 3.26Å; Y461-L465 PolarHBondContact O-N 3.2Å
462S53Low50.6Low48 Ų48111.4 Ų111.434%0.33653%0.528SS..Hα-helixtrans-58.8-47.7172.4165.80000111.6R458 H464 L465 H466R458-S462 VanDerWaalsContact O-CB 3.28Å; R458-S462 WeakPolarHBondContact O-CB 3.43Å; R458-S462 PolarHBondContact O-N 3.4Å; S462-H464 VanDerWaalsContact C-N 3.27Å; S462-H464 PolarHBondContact O-N 3.42Å; S462-L465 PolarHBondContact O-N 2.9Å; S462-H466 PolarHBondContact O-CD2 3.43Å; S462-H466 PolarHBondContact O-N 3.45Å; S462-H466 PolarHBondContact OG-CD2 2.91Å; S462-H466 PolarHBondContact OG-NE2 3.4Å
463K48.7Very low49.3Very low165 Ų165113.6 Ų113.672%0.71754%0.536SS*.Hα-helixtrans-62.8-32.1176.5-75.3-174.8176.5-171.30113.2N459 R460 R467N459-K463 WeakPolarHBondContact O-CG 3.45Å; N459-K463 PolarHBondContact O-N 2.85Å; R460-K463 PolarHBondContact O-N 3Å; K463-R467 WeakPolarHBondContact O-CB 3.43Å; K463-R467 PolarHBondContact O-N 2.99Å
464H43.6Very low47.9Very low120 Ų120118.2 Ų118.256%0.55655%0.55SS**Hα-helixtrans-74.2-42.9177.1-140.9-11.3000112R460 Y461 S462 R467 N468R460-H464 PolarHBondContact O-N 3.41Å; Y461-H464 PolarHBondContact O-N 3.44Å; S462-H464 VanDerWaalsContact C-N 3.27Å; S462-H464 PolarHBondContact O-N 3.42Å; H464-R467 PolarHBondContact O-N 3.49Å; H464-N468 PolarHBondContact O-N 2.68Å; H464-N468 VanDerWaalsContact O-N 3.16Å; H464-N468 PolarHBondContact O-OD1 2.75Å
465L43.5Very low46.9Very low95 Ų95120 Ų12050%0.49756%0.559SS.*Hα-helixtrans-63.2-47.9176.3-74.2167.5000111.9Y461 S462 R467 N468 Y469Y461-L465 WeakPolarHBondContact O-CG 3.26Å; Y461-L465 PolarHBondContact O-N 3.2Å; S462-L465 PolarHBondContact O-N 2.9Å; L465-R467 VanDerWaalsContact C-N 3.27Å; L465-R467 PolarHBondContact O-N 2.92Å; L465-N468 PolarHBondContact O-N 3.1Å; L465-Y469 HydrophobicContact CB-CD2 4.45Å; L465-Y469 HydrophobicContact CB-CE2 4.49Å; L465-Y469 HydrophobicContact CD2-CE2 4.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 3.1Å
466H42.4Very low45.7Very low122 Ų122121.5 Ų121.557%0.56557%0.568SS**Hα-helixtrans-60.9-36.4177.7-71.5-58.5000112.5S462 Q470S462-H466 PolarHBondContact O-CD2 3.43Å; S462-H466 PolarHBondContact O-N 3.45Å; S462-H466 PolarHBondContact OG-CD2 2.91Å; S462-H466 PolarHBondContact OG-NE2 3.4Å; H466-Q470 VanDerWaalsContact O-CB 3.32Å; H466-Q470 WeakPolarHBondContact O-CB 3.41Å; H466-Q470 PolarHBondContact O-N 2.87Å
467R39Very low45Very low192 Ų192126.9 Ų126.973%0.72558%0.583SS**Hα-helixtrans-65.2-39.8176.7-158.1172.7-165.5174.93.1112.1K463 H464 L465 Q470 T471K463-R467 WeakPolarHBondContact O-CB 3.43Å; K463-R467 PolarHBondContact O-N 2.99Å; H464-R467 PolarHBondContact O-N 3.49Å; L465-R467 VanDerWaalsContact C-N 3.27Å; L465-R467 PolarHBondContact O-N 2.92Å; R467-Q470 PolarHBondContact O-N 2.71Å; R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.26Å
468N40.2Very low44.2Very low80 Ų80130.5 Ų130.543%0.42860%0.604SS.*Hα-helixtrans-72.1-42.5178.5-65.812.7000112H464 L465 Q470 T471 H472H464-N468 PolarHBondContact O-N 2.68Å; H464-N468 VanDerWaalsContact O-N 3.16Å; H464-N468 PolarHBondContact O-OD1 2.75Å; L465-N468 PolarHBondContact O-N 3.1Å; N468-Q470 PolarHBondContact O-N 3.48Å; N468-T471 WeakPolarHBondContact CA-OG1 3.27Å; N468-T471 PolarHBondContact O-N 2.97Å; N468-T471 PolarHBondContact O-OG1 3.08Å; N468-H472 PolarHBondContact O-CD2 3.33Å; N468-H472 PolarHBondContact O-N 3.12Å
469Y40.4Very low43.7Very low169 Ų169128.8 Ų128.866%0.66360%0.604SS**Hα-helixtrans-63.5-30175.1-79.4-64.7000112.9L465L465-Y469 HydrophobicContact CB-CD2 4.45Å; L465-Y469 HydrophobicContact CB-CE2 4.49Å; L465-Y469 HydrophobicContact CD2-CE2 4.31Å; L465-Y469 WeakPolarHBondContact O-CD2 3.33Å; L465-Y469 PolarHBondContact O-N 3.1Å
470Q43.2Very low42.6Very low145 Ų145129.9 Ų129.968%0.67862%0.62SS**Hα-helixtrans-81.1-25.4178.2-162.9148.523.500113.5H466 R467 N468 T473H466-Q470 VanDerWaalsContact O-CB 3.32Å; H466-Q470 WeakPolarHBondContact O-CB 3.41Å; H466-Q470 PolarHBondContact O-N 2.87Å; R467-Q470 PolarHBondContact O-N 2.71Å; N468-Q470 PolarHBondContact O-N 3.48Å; Q470-T473 PolarHBondContact O-OG1 3.05Å
471T44.7Very low42.1Very low62 Ų62125.1 Ų125.138%0.3862%0.624SS.*Hα-helixtrans-74-27.8170.444.20000113.4R467 N468 T473 E474 I475R467-T471 PolarHBondContact O-N 3.02Å; R467-T471 PolarHBondContact O-OG1 3.26Å; N468-T471 WeakPolarHBondContact CA-OG1 3.27Å; N468-T471 PolarHBondContact O-N 2.97Å; N468-T471 PolarHBondContact O-OG1 3.08Å; T471-T473 PolarHBondContact O-N 2.9Å; T471-E474 PolarHBondContact O-N 2.91Å; T471-I475 WeakPolarHBondContact O-CG1 3.5Å; T471-I475 PolarHBondContact O-N 3.49Å
472H40.8Very low41.5Very low119 Ų119126.2 Ų126.255%0.55164%0.639SS**THydrogen-bonded Turntrans-65.9-22-179.2-78.7-57.5000114.1N468 S476N468-H472 PolarHBondContact O-CD2 3.33Å; N468-H472 PolarHBondContact O-N 3.12Å; H472-S476 PolarHBondContact O-OG 3.44Å
473T45.2Very low40.4Very low98 Ų98130.5 Ų130.560%0.60167%0.667SS**THydrogen-bonded Turntrans-86.4-14.8175.422.50000114.8Q470 T471Q470-T473 PolarHBondContact O-OG1 3.05Å; T471-T473 PolarHBondContact O-N 2.9Å
474E39.9Very low39.8Very low144 Ų144127.7 Ų127.767%0.67367%0.669SS**THydrogen-bonded Turntrans-90.3-33.1174.7-68.8-174.8146.300111.9T471 S476 R477T471-E474 PolarHBondContact O-N 2.91Å; E474-S476 PolarHBondContact O-N 2.88Å; E474-S476 VanDerWaalsContact O-N 3.16Å; E474-R477 PolarHBondContact O-N 2.84Å; E474-R477 VanDerWaalsContact O-N 3.1Å
475I45.7Very low39.1Very low115 Ų115127 Ų12759%0.5968%0.677SS**G310 helixtrans-59.6-27.2175.8-65.5165.1000111.6T471 R477T471-I475 WeakPolarHBondContact O-CG1 3.5Å; T471-I475 PolarHBondContact O-N 3.49Å; I475-R477 PolarHBondContact O-N 3.45Å; I475-R477 VanDerWaalsContact O-N 3.16Å
476S43Very low38.4Very low95 Ų95130.3 Ų130.366%0.66469%0.69SS**G310 helixtrans-72.54.1176.7-46.40000115.4H472 E474H472-S476 PolarHBondContact O-OG 3.44Å; E474-S476 PolarHBondContact O-N 2.88Å; E474-S476 VanDerWaalsContact O-N 3.16Å
477R44.6Very low37.9Very low210 Ų210127.4 Ų127.479%0.79268%0.682SS**G310 helixtrans-123.210.1-174.5-68.2-172.4172.6-168-3.5115.3E474 I475E474-R477 PolarHBondContact O-N 2.84Å; E474-R477 VanDerWaalsContact O-N 3.1Å; I475-R477 PolarHBondContact O-N 3.45Å; I475-R477 VanDerWaalsContact O-N 3.16Å
478L37.6Very low37.9Very low148 Ų148127 Ų12778%0.77569%0.688SS**  trans-10581.9160.8-70.3163.7000105.8
479E39.3Very low37.7Very low165 Ų165133.8 Ų133.877%0.77171%0.708SS**  64.683.777.6-162.8165-128.700111.2
480S32.4Very low37.6Very low120 Ų120135.2 Ų135.284%0.83971%0.712SS**  trans18.2101.2151.948.30000118.2
481G32.9Very low37.6Very low70 Ų70134.3 Ų134.372%0.72272%0.717SS**  trans-145.1127.615600000109.3C483G481-C483 PolarHBondContact O-N 3.01Å
482D32.5Very low37.4Very low169 Ų169142 Ų14290%0.90474%0.739SS**  trans-70.6122.6-165.2-59.9-79.6000114.5
483C29.7Very low37.6Very low137 Ų137141.9 Ų141.993%0.92674%0.739SS**  trans-148.2144.4157.2-95.90000109.9G481G481-C483 PolarHBondContact O-N 3.01Å
484S34.8Very low37.7Very low106 Ų106142 Ų14274%0.74175%0.75SS**  trans-92.4145.3-162.255.50000115.9
485S30.2Very low38.1Very low105 Ų105140.3 Ų140.373%0.73475%0.754SS**  trans57.6113.6149.461.30000120.1
486E28.1Very low37.9Very low166 Ų166136.1 Ų136.178%0.77673%0.734SS**  trans64.6151166.8-75.2-109.3112.600116.3
487P33Very low38.5Very low60 Ų60135.5 Ų135.539%0.3973%0.727SS.*  cis-135.8110.92135.9-14.7000114.8R489 R490P487-R489 PolarHBondContact O-N 2.98Å; P487-R490 HydrophobicContact CG-CG 4.37Å
488E37.2Very low38.9Very low184 Ų184131.9 Ų131.986%0.8672%0.722SS**THydrogen-bonded Turntrans-71.7-1.7-175.4-151.4176.7-167.400114.7
489R36.2Very low39.1Very low223 Ų223132.9 Ų132.984%0.84272%0.717SS**THydrogen-bonded Turntrans-91.3-16.3-174.8-64.5-176.1179-174.4-0.1115.6P487P487-R489 PolarHBondContact O-N 2.98Å
490R39.5Very low40.3Very low198 Ų198127.2 Ų127.275%0.74769%0.694SS**G310 helixtrans-81.8-18.8-165.8-72.2-173.9174.1146.5-0.4116.1P487 R492P487-R490 HydrophobicContact CG-CG 4.37Å; R490-R492 PolarHBondContact O-N 3.23Å
491T43.2Very low41.4Very low127 Ų127125.6 Ų125.678%0.77967%0.671SS**G310 helixtrans-74.9-14.8-172.736.40000115.4
492R39.9Very low42.2Very low222 Ų222130.2 Ų130.284%0.83867%0.667SS**G310 helixtrans-82.8-9.3178.5-102-175.1178.6-172.71.4115.3R490R490-R492 PolarHBondContact O-N 3.23Å
493E44.3Very low43.2Very low118 Ų118126.6 Ų126.655%0.55165%0.647SS**SBendtrans-91.5-25-177.7-67.3-152.1-172.300114.9S495 C496 K501E493-S495 PolarHBondContact O-N 2.89Å; E493-C496 VanDerWaalsContact O-CB 3.27Å; E493-C496 WeakPolarHBondContact O-CB 3.35Å; E493-C496 PolarHBondContact O-N 3.41Å; E493-K501 IonicContact OE2-NZ 3.59Å; E493-K501 PolarHBondContact OE2-NZ 2.98Å
494A47.2Very low44.3Very low100 Ų100127.3 Ų127.383%0.82663%0.631SS**THydrogen-bonded Turntrans-64.5-9.7-169.800000115.4
495S50Low44.9Very low109 Ų109127 Ų12776%0.76263%0.627SS**THydrogen-bonded Turntrans-106.14.817657.20000113.9E493E493-S495 PolarHBondContact O-N 2.89Å
496C41Very low45.6Very low27 Ų27130.5 Ų130.518%0.18263%0.629CS.*  trans-99112-171.8-163.70000111.7E493 T500 K501E493-C496 VanDerWaalsContact O-CB 3.27Å; E493-C496 WeakPolarHBondContact O-CB 3.35Å; E493-C496 PolarHBondContact O-N 3.41Å; C496-T500 PolarHBondContact SG-OG1 3.31Å; C496-K501 HydrophobicContact CB-CG 4.43Å; C496-K501 WeakPolarHBondContact SG-CG 3.29Å
497T55.7Low46.2Very low82 Ų82124.7 Ų124.750%0.50361%0.614SS.*  trans-72.9156.9171.966.20000111.2Y499 T500 K501T497-Y499 PolarHBondContact O-N 2.97Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; T497-T500 PolarHBondContact N-OG1 2.98Å; T497-T500 CarbonylContact O-C 3.6Å; T497-T500 WeakPolarHBondContact O-CA 3.47Å; T497-T500 PolarHBondContact O-N 3.16Å; T497-T500 PolarHBondContact O-OG1 3.13Å; T497-T500 PolarHBondContact OG1-N 3.32Å; T497-T500 PolarHBondContact OG1-OG1 3.24Å; T497-K501 PolarHBondContact O-N 2.97Å
498L51.9Low46.4Very low134 Ų134128.1 Ų128.170%0.70263%0.629SS**Hα-helixtrans-50.4-38.9174.6-87.8163.7000113.1K501 R502L498-K501 PolarHBondContact O-N 2.96Å; L498-R502 WeakPolarHBondContact O-CG 3.39Å; L498-R502 PolarHBondContact O-N 2.93Å
499Y42.5Very low46.4Very low168 Ų168123.3 Ų123.366%0.65962%0.616SS**Hα-helixtrans-59.4-46.9173.2178.9-105.5000112.2T497 R502 L503T497-Y499 PolarHBondContact O-N 2.97Å; T497-Y499 VanDerWaalsContact O-N 3.16Å; Y499-R502 PolarHBondContact O-N 3.36Å; Y499-L503 HydrophobicContact CD1-CD1 3.94Å; Y499-L503 HydrophobicContact CE1-CD1 3.41Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.41Å; Y499-L503 HydrophobicContact CE2-CD1 4.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.47Å; Y499-L503 PolarHBondContact O-N 3.48Å
500T64.1Low46.4Very low47 Ų47117.7 Ų117.729%0.28861%0.606SS.*Hα-helixtrans-72.4-23.9176.555.10000114.4C496 T497 R504C496-T500 PolarHBondContact SG-OG1 3.31Å; T497-T500 PolarHBondContact N-OG1 2.98Å; T497-T500 CarbonylContact O-C 3.6Å; T497-T500 WeakPolarHBondContact O-CA 3.47Å; T497-T500 PolarHBondContact O-N 3.16Å; T497-T500 PolarHBondContact O-OG1 3.13Å; T497-T500 PolarHBondContact OG1-N 3.32Å; T497-T500 PolarHBondContact OG1-OG1 3.24Å; T500-R504 WeakPolarHBondContact O-CG 3.42Å; T500-R504 PolarHBondContact O-N 2.77Å
501K54.7Low46Very low85 Ų85115.7 Ų115.737%0.3761%0.61SS.*Hα-helixtrans-67.6-53.6166.9-70.8-159.8171.5-162.10110.4E493 C496 T497 L498 L503 R504 C505E493-K501 IonicContact OE2-NZ 3.59Å; E493-K501 PolarHBondContact OE2-NZ 2.98Å; C496-K501 HydrophobicContact CB-CG 4.43Å; C496-K501 WeakPolarHBondContact SG-CG 3.29Å; T497-K501 PolarHBondContact O-N 2.97Å; L498-K501 PolarHBondContact O-N 2.96Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 3.38Å; K501-R504 PolarHBondContact O-N 3.35Å; K501-R504 VanDerWaalsContact O-N 3.14Å; K501-C505 PolarHBondContact O-N 3.31Å; K501-C505 VanDerWaalsContact O-N 3.13Å; K501-C505 PolarHBondContact O-SG 2.96Å
502R50.1Low45.5Very low167 Ų167116.9 Ų116.963%0.6361%0.609SS**Hα-helixtrans-58-36.5178.6-71.8-177.1179-170.5-2113.3L498 Y499 K506L498-R502 WeakPolarHBondContact O-CG 3.39Å; L498-R502 PolarHBondContact O-N 2.93Å; Y499-R502 PolarHBondContact O-N 3.36Å; R502-K506 PolarHBondContact O-N 2.7Å
503L54.5Low45Very low93 Ų93113.6 Ų113.649%0.48761%0.606SS.*Hα-helixtrans-66.1-39.1175.9-92.8170.1000113.7Y499 K501 K506 G507Y499-L503 HydrophobicContact CD1-CD1 3.94Å; Y499-L503 HydrophobicContact CE1-CD1 3.41Å; Y499-L503 VanDerWaalsContact CE1-CD1 3.41Å; Y499-L503 HydrophobicContact CE2-CD1 4.28Å; Y499-L503 WeakPolarHBondContact O-CB 3.47Å; Y499-L503 PolarHBondContact O-N 3.48Å; K501-L503 VanDerWaalsContact C-N 3.3Å; K501-L503 PolarHBondContact O-N 3.38Å; L503-K506 PolarHBondContact O-N 3.49Å; L503-G507 PolarHBondContact O-N 2.79Å; L503-G507 VanDerWaalsContact O-N 3.13Å
504R52.4Low44.5Very low153 Ų153112.8 Ų112.858%0.57761%0.609SS**Hα-helixtrans-67.3-45.4175.8-71.4175.2-179.5165.51.7110.9T500 K501 K506 G507 D508T500-R504 WeakPolarHBondContact O-CG 3.42Å; T500-R504 PolarHBondContact O-N 2.77Å; K501-R504 PolarHBondContact O-N 3.35Å; K501-R504 VanDerWaalsContact O-N 3.14Å; R504-K506 PolarHBondContact O-N 3.26Å; R504-G507 PolarHBondContact O-N 3.49Å; R504-D508 PolarHBondContact O-N 3.36Å
505C46.5Very low43.8Very low98 Ų98115.7 Ų115.766%0.66261%0.606SS**THydrogen-bonded Turntrans-61.8-11.6175.7-56.50000115.1K501K501-C505 PolarHBondContact O-N 3.31Å; K501-C505 VanDerWaalsContact O-N 3.13Å; K501-C505 PolarHBondContact O-SG 2.96Å
506K45.1Very low42.9Very low179 Ų179115.9 Ų115.978%0.77861%0.607SS**THydrogen-bonded Turntrans-109.7-1.8169.1-76.6-150.1174.1-1680114.6R502 L503 R504R502-K506 PolarHBondContact O-N 2.7Å; L503-K506 PolarHBondContact O-N 3.49Å; R504-K506 PolarHBondContact O-N 3.26Å
507G40.9Very low42.6Very low44 Ų44120.7 Ų120.745%0.45464%0.636SS.*THydrogen-bonded Turntrans-94.5-36.6171.300000112.7L503 R504 S509L503-G507 PolarHBondContact O-N 2.79Å; L503-G507 VanDerWaalsContact O-N 3.13Å; R504-G507 PolarHBondContact O-N 3.49Å; G507-S509 VanDerWaalsContact C-N 3.3Å; G507-S509 PolarHBondContact O-N 3.06Å
508D37.8Very low41.4Very low132 Ų132122.4 Ų122.471%0.70665%0.651SS**THydrogen-bonded Turntrans-82.9-4.6-174.1-57.8-38.7000113.4R504R504-D508 PolarHBondContact O-N 3.36Å
509S37.8Very low40.5Very low84 Ų84127.5 Ų127.559%0.58766%0.661SS**THydrogen-bonded Turntrans-89.33.8-177.458.50000115G507G507-S509 VanDerWaalsContact C-N 3.3Å; G507-S509 PolarHBondContact O-N 3.06Å
510T34.5Very low40.1Very low104 Ų104126.2 Ų126.264%0.63867%0.666SS**SBendtrans-126.659.8-177.749.90000112.4
511N32.3Very low38.8Very low157 Ų157130.2 Ų130.284%0.8469%0.692SS**SBendtrans-162.920.3158.2-104-19.9000114.5
512M32.4Very low38Very low151 Ų151133.4 Ų133.474%0.74471%0.714SS**  trans-101.682.3171.5-75-55.9-52.200110.7V514M512-V514 VanDerWaalsContact C-N 3.28Å; M512-V514 HydrophobicContact CB-CG2 4.43Å; M512-V514 HydrophobicContact CE-CG2 3.68Å; M512-V514 PolarHBondContact O-N 3.32Å; M512-V514 VanDerWaalsContact O-N 3.1Å
513I29.7Very low37.3Very low153 Ų153132.7 Ų132.779%0.78572%0.722SS**  trans-74.491.1157.9-60.8174.8000106.1E515I513-E515 HydrophobicContact CG2-CB 4.5Å; I513-E515 PolarHBondContact O-N 2.89Å
514V34.4Very low36.4Very low102 Ų102133.3 Ų133.362%0.61873%0.734SS**  trans-8092.9166.5179.20000106.6M512 S516M512-V514 VanDerWaalsContact C-N 3.28Å; M512-V514 HydrophobicContact CB-CG2 4.43Å; M512-V514 HydrophobicContact CE-CG2 3.68Å; M512-V514 PolarHBondContact O-N 3.32Å; M512-V514 VanDerWaalsContact O-N 3.1Å; V514-S516 PolarHBondContact O-N 2.87Å
515E32.2Very low35.6Very low160 Ų160129.2 Ų129.275%0.74874%0.74SS**  trans-7492.5175.5-170.2163.6-131.900109.1I513 T517I513-E515 HydrophobicContact CG2-CB 4.5Å; I513-E515 PolarHBondContact O-N 2.89Å; E515-T517 PolarHBondContact O-N 3.02Å; E515-T517 PolarHBondContact O-OG1 3.38Å
516S30Very low34.9Very low114 Ų114134 Ų13480%0.79775%0.752SS**  trans-64.487.1-176.4-62.30000112.2V514V514-S516 PolarHBondContact O-N 2.87Å
517T34.6Very low34.5Very low127 Ų127134.9 Ų134.978%0.77976%0.756SS**  trans-99121.2169.435.10000110E515E515-T517 PolarHBondContact O-N 3.02Å; E515-T517 PolarHBondContact O-OG1 3.38Å
518S30.8Very low34.5Very low118 Ų118138 Ų13883%0.82577%0.768SS**  trans-80.3141.8-178.345.50000112.3
519R34Very low34.4Very low241 Ų241137.1 Ų137.191%0.90976%0.763SS**  trans-160.8145.2144.5-120.2170.6179.2157.51.4111.9
520D33.8Very low34.6Very low142 Ų142140.8 Ų140.876%0.75977%0.769SS**  trans-74.8139.9-168.5-49.7-92000113N522D520-N522 PolarHBondContact O-N 2.91Å
521P36Very low34.7Very low130 Ų130144.9 Ų144.984%0.84478%0.78SS**  trans-82.6106.9165.232.5-29.4000109.5
522N37.4Very low35Very low153 Ų153142 Ų14282%0.81877%0.773SS**  trans-134.6151.6169.8-118.4-34000109.3D520D520-N522 PolarHBondContact O-N 2.91Å
523D36.9Very low35.3Very low152 Ų152141.3 Ų141.381%0.81377%0.772SS**  trans68.7134.1175-152.835.2000116.1
524S35.3Very low35.5Very low106 Ų106142.7 Ų142.774%0.74178%0.775SS**  cis-158.6165.7-41.650.20000108.8
525G34.8Very low35.5Very low67 Ų67146.2 Ų146.269%0.69179%0.79SS**  trans170.982.917700000118.4
526H33.3Very low35.5Very low198 Ų198145 Ų14592%0.91779%0.793SS**  trans56.1110.5153.9-72-77.5000122.8
527K35.8Very low35.9Very low197 Ų197145.2 Ų145.286%0.85780%0.795SS**  trans-62.9180147.9-68.6-176.3177-1750112.1
528P40.6Very low35.7Very low109 Ų109146.3 Ų146.371%0.70880%0.796SS**  cis-125.5173.85.142.4-25.4000113.8
529D36.3Very low36Very low115 Ų115150 Ų15062%0.61580%0.8SS**  -169.3165.767.7-98.5-14.3000107.3
530K41.1Very low35.8Very low161 Ų161145.6 Ų145.670%0.780%0.795SS**  cis-163.5170.1-14.3-114.8166.9-167.1130.10107.4
531E37.7Very low35.9Very low189 Ų189143.9 Ų143.988%0.88380%0.8SS**  trans64.5153.8179.1-55.5180153.900115.1
532S37.7Very low35.8Very low97 Ų97143.3 Ų143.368%0.67879%0.794SS**  cis-165.6172.5-47.7-102.70000107.2
533D38.7Very low35.6Very low137 Ų137141.4 Ų141.473%0.73379%0.791SS**  trans53.884.5165-51.7-22.5000116
534Q33.8Very low35.2Very low181 Ų181141 Ų14185%0.84679%0.789SS**  43.8108.982.2-61.2-169.684.500115
535L35.6Very low35.1Very low176 Ų176140.6 Ų140.692%0.92179%0.791SS**  -156.1146.4117.6-106175.1000109.8
536T31.8Very low35Very low135 Ų135145.2 Ų145.283%0.82880%0.799SS**  trans-119.2137.7-172.852.50000112.2
537S37Very low34.8Very low118 Ų118143.2 Ų143.283%0.82579%0.794SS**  trans-149.9110.9160.2570000110.4
538N30.9Very low34.6Very low150 Ų150139.2 Ų139.280%0.80279%0.788SS**  trans-75.7151.1164.7-70.6-30.3000109.4
539E37.4Very low34Very low197 Ų197140.9 Ų140.992%0.92179%0.791SS**  trans-146.2146.6143.2-125167.1-152.900110.4
540N30.8Very low33.5Very low148 Ų148140.6 Ų140.679%0.79180%0.798SS**  trans-106.4139.4-162.2-59.5-72.7000112.5
541A34.6Very low33Very low105 Ų105137.4 Ų137.487%0.86880%0.796SS**  trans-16165.9161.300000114.2
542T33.7Very low32.4Very low118 Ų118136 Ų13672%0.72479%0.794SS**  trans-76.3150.7158.1-10.30000109.3
543P34Very low32.1Very low114 Ų114138.3 Ų138.374%0.7481%0.805SS**  -149.6139.683.436.9-18.1000117.4
544N29.4Very low31.6Very low144 Ų144138.8 Ų138.877%0.7781%0.812SS**  trans27.3118.8130.2-49.2-16.1000120.4
545A31.6Very low31.5Very low96 Ų96133.2 Ų133.279%0.79380%0.803SS**  trans-160.592131.500000113.3
546L32.4Very low31.1Very low165 Ų165132 Ų13286%0.86480%0.798SS**  trans39.5105.8134.7-65.1160000119.9
547I29Very low31.1Very low156 Ų156132.7 Ų132.780%0.880%0.795SS**  trans-75139.8143.3-56.7166.7000107.5
548P32.3Very low30.6Very low112 Ų112134.5 Ų134.573%0.72779%0.79SS**  -136.2153.2127.336.2-25.8000113.3
549D27.3Very low30.7Very low145 Ų145134.3 Ų134.378%0.77579%0.788SS**  trans-66.1153.1177.1-48.1-94000113.3
550S27.9Very low30.2Very low109 Ų109130.8 Ų130.876%0.76278%0.775SS**  172.1149117.644.50000115.3
551S29.9Very low30.3Very low94 Ų94133.3 Ų133.366%0.65777%0.773SS**  trans46.7113.2149.859.10000121.5
552N25.4Very low30Very low158 Ų158134.5 Ų134.585%0.84577%0.765SS**  32.3108123.4-57.9-11.6000118.7
553T31.4Very low29.8Very low147 Ų147138.3 Ų138.390%0.90277%0.768SS**  trans-152.1148.9139.36.10000111
554V28.5Very low29.7Very low147 Ų147137.4 Ų137.489%0.89176%0.764SS**  trans-80.4131.9172.2175.80000108.6
555G31.8Very low29.8Very low64 Ų64135.5 Ų135.566%0.6677%0.768SS**  trans-145.2131.1174.500000111.4I557G555-I557 PolarHBondContact O-N 3.05Å
556D27.1Very low29.8Very low150 Ų150138.9 Ų138.980%0.80277%0.768SS**  trans-69.4115.5-177.5-70.1-67.9000112.3H558D556-H558 VanDerWaalsContact C-N 3.33Å; D556-H558 PolarHBondContact O-N 3.48Å
557I31Very low29.5Very low149 Ų149139.5 Ų139.576%0.76477%0.766SS**  trans-86.882.6163.1-59.1-175000108.6G555 L559G555-I557 PolarHBondContact O-N 3.05Å; I557-L559 HydrophobicContact CG2-CD1 3.79Å; I557-L559 HydrophobicContact CG2-CG 3.89Å; I557-L559 PolarHBondContact O-N 2.93Å
558H27.2Very low29.6Very low156 Ų156138.6 Ų138.672%0.72276%0.761SS**  trans-70.592.4171.3-131-82.8000109.6D556D556-H558 VanDerWaalsContact C-N 3.33Å; D556-H558 PolarHBondContact O-N 3.48Å
559L33.2Very low29.4Very low147 Ų147138.5 Ų138.577%0.7776%0.759SS**  trans-11573.1171.3-78.2174.8000111.6I557I557-L559 HydrophobicContact CG2-CD1 3.79Å; I557-L559 HydrophobicContact CG2-CG 3.89Å; I557-L559 PolarHBondContact O-N 2.93Å
560L27Very low29.6Very low123 Ų123139.4 Ų139.464%0.64476%0.758SS**  trans-65.4129.6143-90.273.6000107.4
561R32.3Very low29.7Very low201 Ų201141 Ų14176%0.75876%0.757SS**  trans-14390.4148.2-131.4-179.5-167.2-165.43.7109.7Y563R561-Y563 PolarHBondContact O-N 3.14Å
562D28.4Very low29.9Very low130 Ų130142 Ų14270%0.69577%0.765SS**  trans-59.2118170.4-57.1-82.2000109.5
563Y30Very low30.2Very low198 Ų198141.5 Ų141.578%0.77676%0.762SS**  trans-101.769.8162.4-93-84.6000109.3R561 A565R561-Y563 PolarHBondContact O-N 3.14Å; Y563-A565 PolarHBondContact O-N 2.97Å
564S30.6Very low30.3Very low95 Ų95142.3 Ų142.366%0.66476%0.756SS**  trans-64.9112.7154.6-75.30000107.6Q566S564-Q566 PolarHBondContact O-N 2.85Å
565A31.3Very low30.4Very low104 Ų104141.5 Ų141.586%0.8674%0.742SS**  trans-69.783171.500000109.4Y563 E567Y563-A565 PolarHBondContact O-N 2.97Å; A565-E567 PolarHBondContact O-N 3.2Å
566Q32.1Very low30.4Very low167 Ų167145.6 Ų145.678%0.7875%0.754SS**  trans-73.5111.9165.9-78.6-173.4-53.500108.8S564 I568S564-Q566 PolarHBondContact O-N 2.85Å; Q566-I568 PolarHBondContact O-N 2.86Å; Q566-I568 VanDerWaalsContact O-N 3.12Å
567E26.3Very low30.6Very low178 Ų178143 Ų14383%0.83274%0.744SS**  trans-17.8103.2145.9-176.3172.7-148.900113.2A565 V569A565-E567 PolarHBondContact O-N 3.2Å; E567-V569 HydrophobicContact CG-CG2 4.43Å
568I31.4Very low30.7Very low136 Ų136143 Ų14370%0.69775%0.745SS**  trans-113.7101.4166.4-68.4174.9000107Q566 H570Q566-I568 PolarHBondContact O-N 2.86Å; Q566-I568 VanDerWaalsContact O-N 3.12Å; I568-H570 WeakPolarHBondContact CG2-CD2 3.49Å
569V28.3Very low30.9Very low111 Ų111140.1 Ų140.167%0.67374%0.743SS**  trans-79.1118.7166.2176.70000107.7E567E567-V569 HydrophobicContact CG-CG2 4.43Å
570H31.1Very low30.9Very low164 Ų164139 Ų13976%0.75974%0.742SS**  trans-132.2102.7165.5-88.1-49.6000110.3I568I568-H570 WeakPolarHBondContact CG2-CD2 3.49Å
571D29.3Very low31.1Very low141 Ų141140 Ų14075%0.75475%0.748SS**  trans-63.3134.5157.4-85.4-58.4000110
572S35.4Very low31.1Very low116 Ų116135.3 Ų135.381%0.81174%0.743SS**  trans-146.871.3164.360.70000110.2E574S572-E574 PolarHBondContact O-N 2.82Å
573N29.9Very low31.2Very low148 Ų148134.5 Ų134.579%0.79175%0.748SS**  trans-64.5122.6162.5-93.3-64.5000109.4
574E34.1Very low31.5Very low164 Ų164131.2 Ų131.277%0.76674%0.744SS**  trans-152.2110.6141.5-130.1168.6-17200116.6S572S572-E574 PolarHBondContact O-N 2.82Å
575Q30.4Very low31.7Very low130 Ų130134 Ų13461%0.60775%0.746SS**  trans46.9102.1140.3-61-178.779.900120
576V31.3Very low31.7Very low150 Ų150134.2 Ų134.291%0.90974%0.741SS**  trans-109.2127.6141.3176.80000107.7
577T32.3Very low31.7Very low96 Ų96130.5 Ų130.559%0.58973%0.734SS**  trans-144.8152.5172.652.90000111.6
578N33.8Very low32.1Very low148 Ų148128.5 Ų128.579%0.79173%0.729SS**  trans75.1141.7169.6-48.9-46.9000117.2
579S30.4Very low32.1Very low96 Ų96130.4 Ų130.467%0.67174%0.735SS**  cis-173168.7-19.853.50000109.9
580V32.5Very low32.3Very low124 Ų124135.4 Ų135.475%0.75275%0.748SS**  trans68.9134.8160.4177.60000115.5
581N32Very low32.3Very low143 Ų143134.8 Ų134.877%0.76575%0.749SS**  cis-149.8163.2-0.3-123.92000111
582P33.2Very low32.6Very low103 Ų103133.6 Ų133.667%0.66975%0.749SS**  trans-105172.3173.939.9-33.4000115
583S30Very low32.5Very low112 Ų112136.3 Ų136.378%0.78375%0.746SS**  trans69.8134.7169.6-54.10000116.1
584D35Very low32.7Very low130 Ų130136.6 Ų136.670%0.69575%0.748SS**  -168.5162.964.7-129.31.8000116
585Q36.6Very low32.8Very low153 Ų153132.9 Ų132.972%0.71575%0.745SS**  trans57.9106.7148.9-64.8172.453.400124.5
586S30Very low32.8Very low108 Ų108131.1 Ų131.176%0.75575%0.748SS**  67.5156.7123.386.70000121.3
587S33Very low33Very low89 Ų89132.9 Ų132.962%0.62274%0.743SS**  cis-164.9175.8-11.745.60000111.4
588N34Very low33Very low137 Ų137132.8 Ų132.873%0.73375%0.746SS**  trans72109.7168.7-49.2-41.6000116.4
589Q30.8Very low32.8Very low175 Ų175130.7 Ų130.782%0.81874%0.743SS**  65.1112.465.5-66.8-163.834.700115.7
590F32.9Very low32.9Very low217 Ų217133.7 Ų133.795%0.95275%0.751SS**  -160.6140.8124.3-106.9-70.1000111.3
591L32.1Very low32.9Very low150 Ų150136.6 Ų136.679%0.78576%0.756SS**  trans-129.1141.5178.6-113.6171.6000108.4
592P35Very low33Very low116 Ų116136.2 Ų136.275%0.75375%0.754SS**  -152.9171.911132.8-13.6000114.2
593K33.6Very low32.8Very low173 Ų173139.8 Ų139.875%0.75276%0.759SS**  cis-179.8162.1-30.8-111.3-179.4177.3178.80106.6
594N34.5Very low32.7Very low154 Ų154142.2 Ų142.282%0.82476%0.761SS**  trans71.1143.4159.6-57.6-12.6000117.2
595A35.9Very low32.5Very low86 Ų86139.4 Ų139.471%0.71176%0.763SS**  cis-156.5157-7.500000112.4
596S30.4Very low32.1Very low94 Ų94140.3 Ų140.366%0.65777%0.768SS**  trans37.3141.9148-47.20000120.9
597F35Very low32Very low186 Ų186142.7 Ų142.782%0.81677%0.771SS**  cis-141.9127.427.2-75.2-95.3000108.9
598S31.5Very low31.8Very low94 Ų94143.6 Ų143.666%0.65777%0.773SS**  51.5130.682.581.90000114.5
599S30.3Very low31.5Very low104 Ų104143.5 Ų143.573%0.72777%0.771SS**  cis159.8141-7.444.90000105.2
600I32.6Very low31.6Very low160 Ų160141 Ų14182%0.82177%0.769SS**  trans-157.1118.3141.1-99.3150.2000106.3
601E33.1Very low31.5Very low184 Ų184138.2 Ų138.286%0.8676%0.759SS**  trans-91.3134162.4-63174.8111.600108.3
602N32.5Very low31.5Very low135 Ų135136.5 Ų136.572%0.72276%0.755SS**  trans-152.4109.8151.3-90.2-48.1000106.1
603K30.6Very low31.3Very low178 Ų178139 Ų13977%0.77476%0.761SS**  60.7106.883-70.3-172.3177.6-177.20113
604I27.2Very low31.1Very low163 Ų163133.5 Ų133.584%0.83675%0.753SS**  trans43.691.6139.8-51.7167.5000114.5
605G30.8Very low30.8Very low72 Ų72134.7 Ų134.774%0.74276%0.759SS**  trans-116.865.2175.500000112.7L607G605-L607 PolarHBondContact O-N 3.43Å
606E27.8Very low30.5Very low172 Ų172137 Ų13780%0.80477%0.765SS**  trans-75.9103.5172.7-174.1171.4-144.400110.1
607L28.9Very low30.6Very low157 Ų157138.3 Ų138.382%0.82277%0.771SS**  trans-137.792.4178.4-85.4161.2000107.9G605G605-L607 PolarHBondContact O-N 3.43Å
608V27.9Very low30.4Very low109 Ų109135.3 Ų135.366%0.66177%0.77SS**  617976.1-171.20000112.5
609I29Very low30.5Very low135 Ų135139 Ų13969%0.69278%0.78SS**  31.9120.5123.7-60.5178.2000116.7E611I609-E611 HydrophobicContact CG2-CB 3.7Å
610P31.8Very low30.6Very low121 Ų121139.2 Ų139.279%0.78678%0.782SS**  -110.2101.1126.4-13.531.2000112.7
611E30.9Very low30.5Very low160 Ų160138.6 Ų138.675%0.74878%0.78SS**  trans-81.5122.7166.4177.2-178.8-158.100107.9I609I609-E611 HydrophobicContact CG2-CB 3.7Å
612V32.2Very low30.7Very low114 Ų114137 Ų13769%0.69178%0.777SS**  trans-132.986.2178.6-172.30000110.2
613L30.9Very low30.6Very low167 Ų167138.1 Ų138.187%0.87478%0.779SS**  trans66.2112.4156.8-49.2171.1000116.5
614G29.1Very low30.9Very low58 Ų58136.2 Ų136.260%0.59878%0.777SS**  cis158.1-179-5.200000112.6
615L29.4Very low31Very low179 Ų179133.6 Ų133.694%0.93777%0.772SS**  trans73.476.3169.5-51-179.2000118.1
616T28Very low31.2Very low136 Ų136137.3 Ų137.383%0.83478%0.78SS**  trans-120.6125.6140.535.80000109
617P32.3Very low31.4Very low121 Ų121136.5 Ų136.579%0.78678%0.776SS**  trans-77.1156.2179.432.2-34.8000112.3
618P31.2Very low31.7Very low123 Ų123136.7 Ų136.780%0.79978%0.778SS**  trans-93.7165.7-168.837.5-37.3000114.5
619I33.8Very low32Very low170 Ų170138.8 Ų138.887%0.87278%0.778SS**  trans-127.9145.9156.5-58.2-179.9000106.7
620S33Very low32.2Very low109 Ų109138.5 Ų138.576%0.76278%0.783SS**  trans-87.7154.5-163.548.10000115.6
621N30.4Very low32.2Very low147 Ų147139.4 Ų139.479%0.78678%0.781SS**  trans-80.7155162-68.8-25000111.2
622D36Very low32Very low150 Ų150137.3 Ų137.380%0.80278%0.784SS**  trans-154.2123134.6-75.9-46.4000103.9
623Q32.1Very low32.2Very low160 Ų160137.6 Ų137.675%0.74879%0.788SS**  56.7130.574.8-61.5-164.7100112.4
624D36Very low32.2Very low138 Ų138137.3 Ų137.374%0.73879%0.787SS**  cis-124.7164.516.1-70.4-61000112.7
625C28.5Very low32.1Very low108 Ų108140.6 Ų140.673%0.7380%0.795SS**  cis79.387.828.4-68.90000117.4
626V36.4Very low32.3Very low149 Ų149143.5 Ų143.590%0.90379%0.794SS**  trans-152.5139.4143.9163.30000109
627E32.4Very low32.6Very low155 Ų155145.6 Ų145.672%0.72479%0.791SS**  trans-89.1156.7170.6-55177.8103.500111.5
628D35.5Very low32.5Very low162 Ų162147.7 Ų147.787%0.86679%0.794SS**  trans-153.7163.1132.5-139.1-24000113.1
629K32.8Very low32.6Very low153 Ų153147.5 Ų147.567%0.66579%0.793SS**  trans-121.4145.5-174.3-61.2161-174.5155.80110.1
630T34Very low32.5Very low128 Ų128146.8 Ų146.879%0.78579%0.789SS**  trans177.3127.9132.823.70000114.1
631D30.8Very low32.4Very low140 Ų140153.1 Ų153.175%0.74980%0.796SS**  44.3107.5129-54.3-16.3000123.3
632S28.1Very low32.6Very low116 Ų116150.5 Ų150.581%0.81179%0.787SS**  74.2154.5123.2-74.40000122.1
633P35.7Very low32.4Very low120 Ų120150.7 Ų150.778%0.77978%0.783SS**  trans-96.1156.6-167.637.8-36000114.3
634L31.3Very low32.5Very low162 Ų162150 Ų15085%0.84879%0.785SS**  trans-142.5128.6165.4-15674.9000113.5
635T27.4Very low32.1Very low126 Ų126147.8 Ų147.877%0.77378%0.78SS**  trans-78.1149.9179.653.10000113.6
636R33.7Very low32.3Very low241 Ų241151.7 Ų151.791%0.90979%0.785SS**  trans-134.8112.5155.1-69.4-174.8177.7155.41.8111
637K33.4Very low31.9Very low179 Ų179148.1 Ų148.178%0.77877%0.771SS**  trans-89.4175163.7-72.7-176.6173.7-177.30109.7
638I30.4Very low31.7Very low165 Ų165149.2 Ų149.285%0.84678%0.776SS**  trans137.6132154.7-77.2157.9000111
639P32.2Very low31.3Very low119 Ų119147.7 Ų147.777%0.77377%0.772SS**  cis-132-171.9-23.537.2-17.7000113.7
640I32Very low31Very low155 Ų155145.4 Ų145.480%0.79578%0.776SS**  trans-103.6153.4-177-62.3154.3000111.2
641R30.7Very low30.9Very low243 Ų243144.7 Ų144.792%0.91778%0.776SS**  trans-142.7134.8142.1-104.8-169.5179.5-169-1.5112
642P35.6Very low30.9Very low91 Ų91145.6 Ų145.659%0.59178%0.781SS**  trans-106.4-158.8177.642.4-33.8000112.2
643E30.8Very low31.1Very low154 Ų154149.7 Ų149.772%0.7278%0.784SS**  trans69.1139.1-173.6-40.8-43.913300113.4
644D34.2Very low30.8Very low146 Ų146149.9 Ų149.978%0.78179%0.788SS**  cis-136.5170.229.3-122.1-50.3000114.7
645S29.4Very low30.8Very low91 Ų91153.7 Ų153.764%0.63679%0.791SS**  trans-101.8-160.4-175.3-71.90000114.4
646F32.4Very low30.8Very low191 Ų191153 Ų15384%0.83879%0.792SS**  trans78.6104.4177.7-51.7-77.8000115
647A28Very low30.7Very low74 Ų74150 Ų15061%0.61279%0.793SS**  cis92.1133.332.700000115.3
648H27.2Very low30.5Very low178 Ų178147.1 Ų147.182%0.82479%0.794SS**  trans64.4150.6172.4-50.4-58.8000115.4
649T26.4Very low30.7Very low129 Ų129146 Ų14679%0.79180%0.795SS**  cis-151.6172.513.8-17.10000111.4
650S27.8Very low30.5Very low106 Ų106143.4 Ų143.474%0.74179%0.79SS**  trans-50.6150.6168.555.50000116.1
651S32.4Very low30.5Very low112 Ų112141.4 Ų141.478%0.78379%0.788SS**  -166.2143.8120.152.10000113.7
652N30.6Very low30.7Very low159 Ų159137.9 Ų137.985%0.8578%0.782SS**  trans-71.6138.3162.3-76.1-38.8000109.9
653K32.6Very low30.5Very low203 Ų203138 Ų13888%0.88379%0.785SS**  trans-159.8114.8144.7-113.2148.9-169.7169.70113.3
654S28.3Very low30.6Very low123 Ų123139.7 Ų139.786%0.8679%0.793SS**  trans-59.5135.3166.9-20.10000110.4
655R30.8Very low30.4Very low242 Ų242138.3 Ų138.391%0.91379%0.794SS**  trans-154.5111.1154-125.3170.5-178.1175.1-1112.1
656S28.2Very low30.7Very low112 Ų112144.9 Ų144.978%0.78381%0.805SS**  trans-66.6142.3160.746.60000109.9
657L32.3Very low30.7Very low178 Ų178139.7 Ų139.793%0.93279%0.792SS**  trans-139.5134.3151-90.6-178.7000109.1
658C28Very low30.9Very low119 Ų119142.8 Ų142.880%0.80480%0.799SS**  trans-114.3129.5179.8176.50000109.5
659T34.7Very low31.3Very low142 Ų142143.7 Ų143.787%0.87180%0.803SS**  trans-147.9119.2157.2370000104.5
660G28.9Very low31.4Very low64 Ų64142.6 Ų142.666%0.6680%0.801SS**  98.4137.476.300000108.7
661C30.7Very low31.8Very low113 Ų113145.4 Ų145.476%0.76481%0.806SS**  cis-160.6170.714-880000112.3
662H35.9Very low31.7Very low168 Ų168145 Ų14578%0.77880%0.8SS**  trans80.577.8157.5-55.3-26.2000119.9
663S30.5Very low31.6Very low95 Ų95146 Ų14666%0.66480%0.799SS**  35.2124.6105.2-43.40000119.8
664H34.3Very low31.5Very low189 Ų189141.1 Ų141.188%0.87579%0.79SS**  -167.912197.8-96.5-64.2000112
665S29.9Very low31.7Very low117 Ų117140.8 Ų140.882%0.81878%0.779SS**  trans-113.1148.2165.8-64.80000110.3
666R34.7Very low31.7Very low228 Ų228136.5 Ų136.586%0.8677%0.769SS**  trans-142.1114.2155.9-63-166.788.3161.35.3105.6
667S32.8Very low31.7Very low82 Ų82136.3 Ų136.357%0.57377%0.768SS**  62.7129.966.177.50000112.3
668D31.6Very low31.8Very low140 Ų140136 Ų13675%0.74976%0.762SS**  cis-164.2-179.4-13.7-95.8-41.7000106.4
669H36.1Very low31.9Very low196 Ų196136.1 Ų136.191%0.90776%0.759SS**  trans152.1115.2138.2-78.8-55.2000112.3
670S28.7Very low31.5Very low107 Ų107135.6 Ų135.675%0.74876%0.76SS**  trans-113.7124.7171.5540000110.5
671L36.5Very low31.5Very low164 Ų164136.2 Ų136.286%0.85977%0.766SS**  trans-145.3121159.4-64.6174.8000105.6
672T29.3Very low31.5Very low104 Ų104134.7 Ų134.764%0.63877%0.769SS**  cis81.1115.646.6680000115
673E29.3Very low31.1Very low179 Ų179130.1 Ų130.184%0.83677%0.768SS**  trans75.2146.6149.7-63.7173.6145.900121
674S29.5Very low31.3Very low101 Ų101133.1 Ų133.171%0.70677%0.774SS**  trans68.1143.8152.3-70.20000120.3
675D32.5Very low31.3Very low116 Ų116132.7 Ų132.762%0.6277%0.773SS**  cis-163.7166.5-11.8-122.1-44.8000114
676H32.1Very low31.4Very low153 Ų153134.2 Ų134.271%0.70877%0.772SS**  trans61.9120.6152.5-58.3-3.9000119
677S28.7Very low31.5Very low107 Ų107133.1 Ų133.175%0.74878%0.776SS**  70.2144.7100.386.20000115.9
678E34.1Very low31.5Very low172 Ų172138 Ų13880%0.80479%0.791SS**  cis-138.2141.210.4-67.9-178.5111.800109.5
679T28.5Very low31.7Very low121 Ų121141 Ų14174%0.74280%0.8SS**  64.9145.683.6-50000117.9
680C27.4Very low31.6Very low132 Ų132134.9 Ų134.989%0.89279%0.79SS**  trans74.5139.7175.2-59.50000117.9
681G28.8Very low31.8Very low77 Ų77139.2 Ų139.279%0.79480%0.798SS**  cis169152.9-800000113.5
682G30.3Very low31.9Very low81 Ų81138 Ų13884%0.83580%0.797SS**  trans89.7144.7-177.600000113.7
683G28.6Very low32.2Very low72 Ų72136.5 Ų136.574%0.74280%0.795SS**  cis85.3125.22200000109.5
684I33.6Very low32.5Very low157 Ų157134.8 Ų134.881%0.80579%0.792SS**  cis-151.1128.536.8-74.2140.5000107.1
685E33.6Very low33Very low180 Ų180137.6 Ų137.684%0.84180%0.799SS**  66.1154.2102.4-142.7171.2-154.400116.9
686N31.9Very low33.5Very low150 Ų150137.3 Ų137.380%0.80280%0.801SS**  trans-83.8152.4-160.2-43.1-77.8000114.4
687Q37.3Very low34.1Very low204 Ų204137.5 Ų137.595%0.95381%0.807SS**  trans-134.1142.8148.8-76.1-164.9-31.100111.7
688E34.2Very low34.6Very low186 Ų186139.7 Ų139.787%0.86981%0.811SS**  trans-116.6116.9179.9167.8-172.8-174.200107
689E35.4Very low35Very low203 Ų203139.2 Ų139.295%0.94981%0.814SS**  trans-173.7145.1168.3-109.9168-136.800107.8
690G34Very low35.5Very low67 Ų67141.5 Ų141.569%0.69182%0.821SS**  cis-163.7162.3-6.700000110.6
691E33Very low36.1Very low198 Ų198141.8 Ų141.893%0.92581%0.814SS**  trans-81.6138.7176.6-172.8169.9-138.900110.5
692V38.6Very low36.8Very low139 Ų139143.5 Ų143.584%0.84281%0.809SS**  trans-130120175.2-176.60000108.4
693A34.3Very low37.1Very low72 Ų72147.3 Ų147.360%0.59581%0.805SS**  trans-99.7167.2178.900000111.6
694D35.7Very low37.4Very low143 Ų143148.2 Ų148.277%0.76580%0.796SS**  trans58.6139.2160.2-51.2-26.2000116.2
695D41Very low37.4Very low160 Ų160150.1 Ų150.186%0.85680%0.799SS**  -141170.357.6-85-46.2000114
696V42.7Very low37.2Very low110 Ų110148.6 Ų148.667%0.66780%0.797SS**  trans-121.7135.5-179.9-1730000108.9
697D44.1Very low37.3Very low157 Ų157147.1 Ų147.184%0.8480%0.798SS**  trans-140.3113.6160.5-84.6-46.3000109
698D39.7Very low37Very low153 Ų153142.7 Ų142.782%0.81879%0.79SS**  trans-99.3114.6165.2-81.2-53.3000107.8
699D43.3Very low36.8Very low162 Ų162139 Ų13987%0.86678%0.781SS**  trans-115.799.2167.2-92.7-35.1000109.2
700D38.6Very low36.5Very low169 Ų169139.9 Ų139.990%0.90478%0.778SS**  trans-85.8114.1166.3-136-9.9000107
701D40.2Very low36.4Very low138 Ų138141.4 Ų141.474%0.73878%0.784SS**  trans-148.7116.2169.3-134.8-17000115.7
702T42.8Very low36.2Very low112 Ų112137.1 Ų137.169%0.68778%0.782SS**  trans50.3126.4147.947.70000124.5
703E37.4Very low35.7Very low161 Ų161142 Ų14275%0.75279%0.786SS**  65.4111128.3-63.3-68.5107.100122.5
704V34.8Very low35.6Very low91 Ų91145.6 Ų145.655%0.55280%0.8SS**  42114.8120.8-173.30000118.9
705F32.4Very low35.4Very low197 Ų197150.1 Ų150.186%0.86481%0.807SS**  -165.4148.1108.1-110.1-72.3000113.5
706N30.6Very low34.9Very low149 Ų149152 Ų15280%0.79781%0.807SS**  trans-86.7132177.4-69.9-77.2000111.8
707S33.3Very low34.3Very low118 Ų118157.6 Ų157.683%0.82582%0.816SS**  178.8152.2128.745.20000115.1
708S31.2Very low33.6Very low112 Ų112155.1 Ų155.178%0.78381%0.81SS**  trans63.9122.4161-150.30000120.6
709P30.8Very low33.1Very low107 Ų107159.1 Ų159.170%0.69581%0.814SS**  trans-84.8177.1167.135.9-34000113.1
710Y28.8Very low32.5Very low222 Ų222156.8 Ų156.887%0.87181%0.81SS**  trans78.873.6178.6-75.1-94.7000118.1
711A32.2Very low32Very low100 Ų100159.5 Ų159.583%0.82681%0.808SS**  trans-146.799.7148.400000111.2R713A711-R713 PolarHBondContact O-N 3.11Å
712A28.1Very low31.6Very low107 Ų107158.8 Ų158.888%0.88481%0.811SS**  trans-83.796.1-176.500000112.2
713R28.8Very low31Very low243 Ų243158.1 Ų158.192%0.91781%0.811SS**  trans-156.733.5173.5-122.1171.9-169-166.12.5117.6A711A711-R713 PolarHBondContact O-N 3.11Å
714T31Very low30.7Very low147 Ų147156.6 Ų156.690%0.90282%0.815SS**  trans-76.8130.6172.634.70000112.7
715R31.4Very low30.6Very low237 Ų237157.9 Ų157.989%0.89482%0.823SS**  trans-59.6142.3-170-65167.4172.6167.5-4.8112.6R717R715-R717 PolarHBondContact O-N 2.99Å
716K31.6Very low30.5Very low199 Ų199153.4 Ų153.487%0.86582%0.817SS**  trans-63.697.8163-69.7-179.5179.6177.20109.2C718K716-C718 VanDerWaalsContact C-N 3.34Å; K716-C718 PolarHBondContact O-N 3.14Å
717R29.4Very low30.3Very low228 Ų228152.2 Ų152.286%0.8682%0.818SS**  trans-67.897.7158.9-97.5-175.6168.4167.7-3.7107.2R715 W719R715-R717 PolarHBondContact O-N 2.99Å; R717-W719 PolarHBondContact O-N 3.42Å
718C28.8Very low30.3Very low106 Ų106155.3 Ų155.372%0.71682%0.817SS**  trans-68.199.5174-67.90000108.9K716 S720K716-C718 VanDerWaalsContact C-N 3.34Å; K716-C718 PolarHBondContact O-N 3.14Å; C718-S720 PolarHBondContact O-N 3.47Å
719W29.5Very low30.2Very low236 Ų236155.5 Ų155.589%0.89481%0.814SS**  trans-69.398.1164.3-73.877.3000107.9R717 R721R717-W719 PolarHBondContact O-N 3.42Å; W719-R721 PolarHBondContact O-N 3.02Å
720S31.3Very low30.2Very low113 Ų113156 Ų15679%0.7982%0.816SS**  trans-56107.7169.5-63.40000108.4C718C718-S720 PolarHBondContact O-N 3.47Å
721R27.7Very low30.3Very low226 Ų226154.1 Ų154.185%0.85381%0.813SS**PPolyproline II helixtrans-60.1142.6167.8-78.1-178.6164.2-128-4.1108.1W719 S723W719-R721 PolarHBondContact O-N 3.02Å; R721-S723 PolarHBondContact O-N 3.22Å; R721-S723 VanDerWaalsContact O-N 3.11Å
722P31.8Very low30.3Very low123 Ų123157.6 Ų157.680%0.79982%0.817SS**PPolyproline II helixtrans-51.3122.5161.7-23.833.9000108.6
723S29.8Very low30.5Very low99 Ų99156.6 Ų156.669%0.69280%0.803SS**PPolyproline II helixtrans-57.4140.5170.7-67.30000108.4R721 T725R721-S723 PolarHBondContact O-N 3.22Å; R721-S723 VanDerWaalsContact O-N 3.11Å; S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.98Å
724P31.1Very low30.5Very low128 Ų128149.5 Ų149.583%0.83179%0.791SS**  trans-68.191.8174.528.7-33.4000108.9S726P724-S726 PolarHBondContact O-N 3.3Å
725T34.2Very low30.5Very low118 Ų118149.5 Ų149.572%0.72479%0.785SS**  trans-56.3125.2171.843.30000108.4S723 C727S723-T725 VanDerWaalsContact C-N 3.29Å; S723-T725 PolarHBondContact O-N 2.98Å; T725-C727 PolarHBondContact O-N 3.41Å
726S29.1Very low30.4Very low104 Ų104145.8 Ų145.873%0.72778%0.782SS**  trans-59.192.3-167.4-171.70000112.7P724 K728P724-S726 PolarHBondContact O-N 3.3Å; S726-K728 PolarHBondContact O-N 2.98Å
727C27.3Very low30.4Very low123 Ų123144.9 Ų144.983%0.83178%0.781SS**  trans-69.384.6164.8-65.80000108T725 T729T725-C727 PolarHBondContact O-N 3.41Å; C727-T729 PolarHBondContact O-N 3.05Å
728K32.2Very low30.5Very low183 Ų183140 Ų14080%0.79678%0.776SS**  trans-49.6120.1178.4-66.7176.4-179.7175.70109.2S726S726-K728 PolarHBondContact O-N 2.98Å
729T29.8Very low30.5Very low117 Ų117140.3 Ų140.372%0.71877%0.771SS**  trans-57.6127.1163.148.30000108.2C727 K731C727-T729 PolarHBondContact O-N 3.05Å; T729-K731 PolarHBondContact O-N 3.4Å
730P29.6Very low30.6Very low116 Ų116136.9 Ų136.975%0.75377%0.765SS**  trans-65.3103.4172.426.6-32.5000108.5L732P730-L732 VanDerWaalsContact C-N 3.33Å; P730-L732 PolarHBondContact O-N 2.88Å; P730-L732 VanDerWaalsContact O-N 3.11Å
731K32.6Very low30.6Very low183 Ų183136.6 Ų136.680%0.79676%0.763SS**  trans-71.896160.3-80.7-172.3171.9-171.90106.4T729 S733T729-K731 PolarHBondContact O-N 3.4Å; K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 2.91Å; K731-S733 VanDerWaalsContact O-N 3.16Å
732L30.4Very low30.8Very low173 Ų173132.6 Ų132.691%0.90676%0.763SS**  trans-75.196.3161.6-71.7170.3000106.9P730P730-L732 VanDerWaalsContact C-N 3.33Å; P730-L732 PolarHBondContact O-N 2.88Å; P730-L732 VanDerWaalsContact O-N 3.11Å
733S32.5Very low30.7Very low86 Ų86134.8 Ų134.860%0.60177%0.769SS**  trans-123.6100.7175.451.20000109.1K731K731-S733 VanDerWaalsContact C-N 3.35Å; K731-S733 PolarHBondContact O-N 2.91Å; K731-S733 VanDerWaalsContact O-N 3.16Å
734S29.6Very low30.9Very low95 Ų95135.8 Ų135.866%0.66477%0.77SS**  trans41.9116.4140580000119.6
735D30.2Very low30.9Very low146 Ų146135.7 Ų135.778%0.78177%0.773SS**  trans94.2147135.1-50.7-18.8000120.8
736L31Very low30.8Very low159 Ų159136.9 Ų136.983%0.83277%0.773SS**  trans68102.7178.1-62.3135000115.5
737H30.7Very low30.9Very low181 Ų181137.1 Ų137.184%0.83878%0.775SS**  81.9145.356.2-89.2-96.3000116
738V31.4Very low31.1Very low125 Ų125140.4 Ų140.476%0.75878%0.778SS**  trans73.9123.6171.1-175.60000115.2
739N28.7Very low31.2Very low113 Ų113137.2 Ų137.260%0.60477%0.77SS**  cis-154.8169.1-10.9-11818.1000111
740E31.8Very low31.5Very low163 Ų163136.6 Ų136.676%0.76277%0.77SS**  trans39.9133.3144-63.9165.1124.900120.8
741S31.1Very low32Very low107 Ų107139.8 Ų139.875%0.74877%0.772SS**  cis-165.1128.23.345.30000112
742T32.7Very low32.3Very low142 Ų142137.7 Ų137.787%0.87177%0.769SS**  trans-171.7126152.82.40000109.7V744T742-V744 PolarHBondContact O-N 3.31Å
743N29.1Very low32.7Very low170 Ų170136.5 Ų136.591%0.90976%0.763SS**  trans-82.2108.9-173.7-70.4-22000112.3
744V33Very low32.9Very low120 Ų120136 Ų13673%0.72776%0.759SS**  trans-135.7111.4159.7-177.90000108.6T742 I746T742-V744 PolarHBondContact O-N 3.31Å; V744-I746 HydrophobicContact CG1-CG1 4.3Å; V744-I746 PolarHBondContact O-N 3.13Å
745S30.9Very low33.5Very low126 Ų126137.2 Ų137.288%0.88177%0.765SS**  trans-77.477.9-17640.10000112.6S747S745-S747 PolarHBondContact O-N 3.3Å
746I32.3Very low33.8Very low143 Ų143138 Ų13873%0.73376%0.758SS**  trans-72.6109.8169.6-57.2178.1000108.6V744 E748V744-I746 HydrophobicContact CG1-CG1 4.3Å; V744-I746 PolarHBondContact O-N 3.13Å; I746-E748 PolarHBondContact O-N 3.08Å
747S31.8Very low34.4Very low109 Ų109133.8 Ų133.876%0.76274%0.74SS**  trans-69.8110.5-179.559.90000111.8S745 N749S745-S747 PolarHBondContact O-N 3.3Å; S747-N749 PolarHBondContact O-N 3.03Å
748E32.7Very low35.4Very low191 Ų191129.7 Ų129.789%0.89372%0.724SS**  trans-7090.6178.4-67.3-157.8121.100112.5I746I746-E748 PolarHBondContact O-N 3.08Å
749N32.4Very low36.3Very low117 Ų117127.9 Ų127.963%0.62671%0.71SS**  trans-126.162.5170.6-151.5-22.5000111.5S747 K751S747-N749 PolarHBondContact O-N 3.03Å; N749-K751 PolarHBondContact O-N 3.06Å
750S36.8Very low37Very low103 Ų103128.9 Ų128.972%0.7271%0.71SS**THydrogen-bonded Turntrans-666.9-171.255.10000116.2
751K40.1Very low38Very low184 Ų184126.5 Ų126.580%0.870%0.699SS**THydrogen-bonded Turntrans-95.9-6.6-171.2-71175.3179.3168.70115.6N749N749-K751 PolarHBondContact O-N 3.06Å
752N38.2Very low38.8Very low138 Ų138126 Ų12674%0.73868%0.681SS**  trans-11720.2-173.1-79.7-42.7000115.8S754N752-S754 PolarHBondContact O-N 2.75Å
753I40.5Very low39.2Very low149 Ų149127.8 Ų127.876%0.76467%0.672SS**  trans-74.896.5175.9-56179.5000110.3
754S36.2Very low39.7Very low76 Ų76129.2 Ų129.253%0.53167%0.665SS.*  trans-59.2133.8170.2178.60000111N752 Y756N752-S754 PolarHBondContact O-N 2.75Å; S754-Y756 PolarHBondContact O-N 3.49Å
755P42.9Very low40.4Very low120 Ų120126.8 Ų126.878%0.77965%0.653SS**SBendtrans-75.523.6-17933.6-37.9000113.6
756Y35.3Very low40.9Very low161 Ų161129.1 Ų129.163%0.63164%0.642SS**SBendtrans-129.4125.5-175.6-76.6-74.2000110.4S754S754-Y756 PolarHBondContact O-N 3.49Å
757P44.8Very low41.2Very low71 Ų71125.7 Ų125.746%0.46163%0.631SS.*  trans-62.6143.9-179.225.4-34.1000111.4R762P757-R762 PolarHBondContact O-NE 2.64Å; P757-R762 PolarHBondContact O-NH2 2.98Å
758N50.1Low41.8Very low95 Ų95123.5 Ų123.551%0.50862%0.615SS.*  trans-52.8146.5-176.8-172.4-5.3000110.9E760 Q761 R762N758-E760 PolarHBondContact O-N 3.1Å; N758-Q761 PolarHBondContact O-N 3.21Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.45Å
759I51.5Low42.2Very low88 Ų88121.5 Ų121.545%0.45161%0.606SS.*Hα-helixtrans-56.9-32.7-178.3-67.1175.9000111.1R762 R763I759-R762 CarbonylContact O-C 3.56Å; I759-R762 PolarHBondContact O-N 3.12Å; I759-R763 WeakPolarHBondContact O-CG 3.32Å; I759-R763 PolarHBondContact O-N 3.16Å
760E43.3Very low42.5Very low133 Ų133123.5 Ų123.562%0.62161%0.611SS**Hα-helixtrans-72-48.4177.9-61.6-173.1130.100112.8N758 R762 R763 W764N758-E760 PolarHBondContact O-N 3.1Å; E760-R762 PolarHBondContact O-N 3.45Å; E760-R763 WeakPolarHBondContact O-CA 3.47Å; E760-R763 WeakPolarHBondContact O-CB 3.27Å; E760-R763 PolarHBondContact O-N 2.91Å; E760-W764 PolarHBondContact O-N 2.87Å
761Q52Low42.4Very low113 Ų113128.4 Ų128.453%0.52862%0.615SS.*Hα-helixtrans-53.1-44.1168.1-80.1-178.9-3100110.9N758 R763 W764 S765N758-Q761 PolarHBondContact O-N 3.21Å; Q761-R763 VanDerWaalsContact C-N 3.26Å; Q761-R763 PolarHBondContact O-N 3.31Å; Q761-W764 PolarHBondContact O-N 3.46Å; Q761-S765 PolarHBondContact O-N 2.93Å; Q761-S765 PolarHBondContact O-OG 2.97Å; Q761-S765 VanDerWaalsContact O-OG 3.09Å
762R47.7Very low42.3Very low96 Ų96127.1 Ų127.136%0.36261%0.612SS.*Hα-helixtrans-69.9-20.1-179.9-143.2-176.2-55.1-168.86.4113.6P757 N758 I759 E760P757-R762 PolarHBondContact O-NE 2.64Å; P757-R762 PolarHBondContact O-NH2 2.98Å; N758-R762 WeakPolarHBondContact O-CB 3.35Å; N758-R762 PolarHBondContact O-N 3.45Å; I759-R762 CarbonylContact O-C 3.56Å; I759-R762 PolarHBondContact O-N 3.12Å; E760-R762 PolarHBondContact O-N 3.45Å
763R42.5Very low42.1Very low181 Ų181127.9 Ų127.968%0.68361%0.609SS**Hα-helixtrans-76.8-50.1167-79.7178.1172.6-167.70.4110.4I759 E760 Q761 S765 R766 C767I759-R763 WeakPolarHBondContact O-CG 3.32Å; I759-R763 PolarHBondContact O-N 3.16Å; E760-R763 WeakPolarHBondContact O-CA 3.47Å; E760-R763 WeakPolarHBondContact O-CB 3.27Å; E760-R763 PolarHBondContact O-N 2.91Å; Q761-R763 VanDerWaalsContact C-N 3.26Å; Q761-R763 PolarHBondContact O-N 3.31Å; R763-S765 PolarHBondContact O-N 3.46Å; R763-R766 CarbonylContact O-C 3.37Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.16Å; R763-C767 PolarHBondContact O-N 3.1Å; R763-C767 PolarHBondContact O-SG 3.24Å; R763-C767 VanDerWaalsContact O-SG 3.36Å
764W39.6Very low41.8Very low199 Ų199128.1 Ų128.175%0.75461%0.611SS**Hα-helixtrans-58.3-48.5177.6-86.9-32000112.8E760 Q761 R766 C767 S768E760-W764 PolarHBondContact O-N 2.87Å; Q761-W764 PolarHBondContact O-N 3.46Å; W764-R766 PolarHBondContact O-N 3.25Å; W764-C767 WeakPolarHBondContact O-CA 3.43Å; W764-C767 PolarHBondContact O-N 3.3Å; W764-S768 PolarHBondContact O-N 3.48Å
765S46.4Very low41.6Very low69 Ų69128 Ų12848%0.48362%0.622SS.*Hα-helixtrans-59.2-32.1177.5-52.50000113.3Q761 R763 Q769Q761-S765 PolarHBondContact O-N 2.93Å; Q761-S765 PolarHBondContact O-OG 2.97Å; Q761-S765 VanDerWaalsContact O-OG 3.09Å; R763-S765 PolarHBondContact O-N 3.46Å; S765-Q769 WeakPolarHBondContact O-CG 3.33Å; S765-Q769 PolarHBondContact O-N 3.36Å
766R41Very low41.1Very low175 Ų175127.4 Ų127.466%0.6662%0.621SS**Hα-helixtrans-81.6-16.6174.7-77.4-171.4171.8-162.2-2.2113.8R763 W764 H770R763-R766 CarbonylContact O-C 3.37Å; R763-R766 PolarHBondContact O-N 2.98Å; R763-R766 VanDerWaalsContact O-N 3.16Å; W764-R766 PolarHBondContact O-N 3.25Å; R766-H770 PolarHBondContact O-CD2 3.27Å
767C39.7Very low40.9Very low72 Ų72130.8 Ų130.849%0.48663%0.633SS.*Hα-helixtrans-82.6-47.4170.8-69.10000111.1R763 W764 Q769 H770 Y771R763-C767 PolarHBondContact O-N 3.1Å; R763-C767 PolarHBondContact O-SG 3.24Å; R763-C767 VanDerWaalsContact O-SG 3.36Å; W764-C767 WeakPolarHBondContact O-CA 3.43Å; W764-C767 PolarHBondContact O-N 3.3Å; C767-Q769 PolarHBondContact O-N 3.42Å; C767-H770 PolarHBondContact O-N 2.88Å; C767-Y771 PolarHBondContact O-N 3.05Å
768S44Very low40.3Very low62 Ų62133.8 Ų133.843%0.43465%0.645SS.*Hα-helixtrans-57.7-45.1177.8-59.70000112.4W764 H770 Y771 E772W764-S768 PolarHBondContact O-N 3.48Å; S768-H770 PolarHBondContact O-N 2.93Å; S768-Y771 PolarHBondContact O-N 3.1Å; S768-E772 PolarHBondContact O-N 3.24Å
769Q40.5Very low39.3Very low149 Ų149134.2 Ų134.270%0.69666%0.655SS**THydrogen-bonded Turntrans-65.3-8.4177.8-71.5-175.8-14.800114.8S765 C767S765-Q769 WeakPolarHBondContact O-CG 3.33Å; S765-Q769 PolarHBondContact O-N 3.36Å; C767-Q769 PolarHBondContact O-N 3.42Å
770H39.4Very low38.2Very low160 Ų160135 Ų13574%0.74167%0.669SS**THydrogen-bonded Turntrans-105.92.5170.9-87.1-65.5000114R766 C767 S768R766-H770 PolarHBondContact O-CD2 3.27Å; C767-H770 PolarHBondContact O-N 2.88Å; S768-H770 PolarHBondContact O-N 2.93Å
771Y34.8Very low37.5Very low205 Ų205134.6 Ų134.680%0.80468%0.68SS**THydrogen-bonded Turntrans-119.5-14.9175.5-87-87000114.1C767 S768 K773C767-Y771 PolarHBondContact O-N 3.05Å; S768-Y771 PolarHBondContact O-N 3.1Å; Y771-K773 VanDerWaalsContact C-N 3.34Å; Y771-K773 PolarHBondContact O-N 2.65Å
772E38.3Very low36.4Very low158 Ų158133 Ų13374%0.73870%0.695SS**SBendtrans-88.420.5-179.7-68.6-179.4127.100114.9S768S768-E772 PolarHBondContact O-N 3.24Å
773K34.8Very low35.4Very low154 Ų154137.9 Ų137.967%0.6772%0.719SS**SBendtrans-130.7-5.9-178-130.8173.9-175.6176.50118Y771 G775Y771-K773 VanDerWaalsContact C-N 3.34Å; Y771-K773 PolarHBondContact O-N 2.65Å; K773-G775 VanDerWaalsContact C-N 3.32Å; K773-G775 PolarHBondContact O-N 3.28Å
774D33.3Very low34.9Very low153 Ų153136.9 Ų136.982%0.81872%0.724SS**SBendtrans-86.180.9158.1-75.1-46000108.4S776D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 PolarHBondContact O-N 2.78Å
775G31.7Very low34.4Very low74 Ų74133.5 Ų133.576%0.76372%0.721SS**  trans-66.684.7-177.400000112.1K773 R777K773-G775 VanDerWaalsContact C-N 3.32Å; K773-G775 PolarHBondContact O-N 3.28Å; G775-R777 PolarHBondContact O-N 3Å
776S33.3Very low33.6Very low107 Ų107137 Ų13775%0.74873%0.733SS**  trans-6294.7-173.4-173.50000113.3D774 N778D774-S776 VanDerWaalsContact C-N 3.32Å; D774-S776 PolarHBondContact O-N 2.78Å; S776-N778 PolarHBondContact O-N 3.04Å
777R29.8Very low33.1Very low233 Ų233133.9 Ų133.988%0.87973%0.734SS**  trans-74.895.6145.1-83-175.7167.7-179.7-4107.9G775G775-R777 PolarHBondContact O-N 3Å
778N32Very low32.5Very low133 Ų133138.4 Ų138.471%0.71175%0.752SS**  trans178.2103.6130.4-86.3-13.3000111.9S776S776-N778 PolarHBondContact O-N 3.04Å
779S29Very low31.8Very low104 Ų104147.1 Ų147.173%0.72778%0.776SS**  trans57.8140.6133.7-52.10000122.9
780S29Very low31.3Very low106 Ų106144.4 Ų144.474%0.74178%0.779SS**  trans60.393.4155.152.70000119.4
781S28.7Very low30.7Very low123 Ų123142.4 Ų142.486%0.8678%0.783SS**  36.3116.2120.959.80000119.7
782G28.6Very low30.7Very low81 Ų81138.8 Ų138.884%0.83578%0.784SS**  trans-160.755.6172.300000114.1
783F27.9Very low30.3Very low197 Ų197134 Ų13486%0.86478%0.777SS**  trans-90.3107.9174.5-125.8-80.3000110.2
784M31.1Very low30.2Very low160 Ų160137.2 Ų137.279%0.78879%0.787SS**  trans-157.9124.2171.6-67.5-62.4165.100105L786M784-L786 HydrophobicContact SD-CD1 4.1Å
785D29.2Very low30.1Very low128 Ų128135.4 Ų135.468%0.68478%0.777SS**  cis58154.710-142.4-1.8000115.9
786L29Very low30.1Very low142 Ų142138.3 Ų138.374%0.74377%0.771SS**  trans71.5116.2-157.8-51.4168.2000111.1M784M784-L786 HydrophobicContact SD-CD1 4.1Å
787T30.6Very low30.1Very low110 Ų110141 Ų14168%0.67577%0.771SS**  cis61.680.823.52.50000113.8
788L27.4Very low30.3Very low168 Ų168134.5 Ų134.588%0.8876%0.761SS**  trans35.489147.4-64.9170.9000118
789R29Very low30.4Very low245 Ų245134.1 Ų134.193%0.92576%0.764SS**  trans-167.4140.5132.2-116.8169.3170.9171.7-4.4116.9
790A30.7Very low30.6Very low92 Ų92136 Ų13676%0.7677%0.766SS**  trans20.7130.9145.400000121.7
791S26.9Very low30.9Very low118 Ų118137.3 Ų137.383%0.82576%0.764SS**  trans-72155.4162.4-45.70000113.3
792P35.6Very low31.1Very low129 Ų129137.6 Ų137.684%0.83876%0.756SS**  -125.3163.5124.236.9-30.7000111
793G29.3Very low31.3Very low57 Ų57139.6 Ų139.659%0.58875%0.752SS**  cis138.5120-4.400000111.9
794Y31.3Very low31.6Very low222 Ų222134.6 Ų134.687%0.87174%0.742SS**  trans70149.5172.2-52.3-78000116.2
795D32.7Very low31.6Very low114 Ų114137 Ų13761%0.6174%0.742SS**  cis-153.4166.9-4.7-129.9-24.1000117.8
796Q31.4Very low31.8Very low136 Ų136140.1 Ų140.164%0.63675%0.75SS**  trans-1.6140.3161.1-72.7156.87500123.3
797H33.8Very low31.9Very low163 Ų163136.9 Ų136.976%0.75574%0.739SS**  174108107.4-93.6-68.4000111
798S33.1Very low32.2Very low96 Ų96140.2 Ų140.267%0.67175%0.746SS**  65.6130.696.672.20000115.2
799T35.1Very low32.3Very low125 Ų125137.2 Ų137.277%0.76774%0.74SS**  cis-145.5150.21944.40000111.4
800N32.3Very low32.9Very low143 Ų143131.3 Ų131.377%0.76573%0.733SS**  52.613682.7-93.5-12.3000114.4
801L35.5Very low32.9Very low135 Ų135135.1 Ų135.171%0.70774%0.735SS**  cis-161.7150.527.9-110.3153.7000115.4
802N33.7Very low33.3Very low128 Ų128136.8 Ų136.868%0.68473%0.733SS**  trans47.3118.7140.6-84.76.4000127.5
803T32.5Very low33.3Very low123 Ų123138.1 Ų138.176%0.75573%0.728SS**  60.1144.7123.266.60000125.1
804S33.2Very low33.6Very low93 Ų93145.3 Ų145.365%0.6574%0.737SS**  116.197.9128.9-169.80000120.2
805R30.7Very low33.8Very low211 Ų211140.8 Ų140.880%0.79673%0.728SS**  trans78.2159.6140.4-65.9179.3-172.1-164.33.8121.7
806F33.2Very low34Very low193 Ų193144.3 Ų144.385%0.84674%0.74SS**  trans83.8149.3164.1-75-69.7000120.1
807S31.8Very low34.2Very low74 Ų74141.2 Ų141.252%0.51775%0.745SS.*  trans-111.3153.7-16644.10000110.6
808H36.4Very low34.2Very low179 Ų179138.4 Ų138.483%0.82974%0.744SS**  167.9153.9113.5-81.7-60.3000110
809S30Very low34.3Very low106 Ų106142.4 Ų142.474%0.74175%0.752SS**  trans-85.2156.4161.6-142.70000108.1
810P41Very low34.2Very low120 Ų120146.8 Ų146.878%0.77976%0.756SS**  -146.2-172.778.739.7-21.8000115.2
811E30.7Very low34.6Very low173 Ų173146.2 Ų146.281%0.80876%0.76SS**  trans-69164.1170.3-54.9163.4112.400112.4
812I36.6Very low34.5Very low153 Ų153145 Ų14579%0.78576%0.763SS**  168.5115.1129.2-87.7160.4000112.7
813H35.3Very low34.6Very low156 Ų156144.3 Ų144.372%0.72277%0.768SS**  trans53142.8143.7-77.7-78000126.8
814R35.8Very low34.7Very low209 Ų209145.9 Ų145.979%0.78977%0.77SS**  trans83.9104.3138.1-77.1165.5-173.5-175.72.5121.7
815N34.2Very low34.8Very low127 Ų127146.4 Ų146.468%0.67977%0.774SS**  54151.9113.6-59.57.2000123.1
816H38.6Very low35Very low187 Ų187147.9 Ų147.987%0.86678%0.78SS**  trans74.2146.1169.8-42.4-81.7000115.5
817G33.9Very low35.3Very low71 Ų71144.3 Ų144.373%0.73278%0.778SS**  cis159.2112.8-15.600000115.8
818S35.2Very low36Very low105 Ų105146.7 Ų146.773%0.73479%0.792SS**  trans77.5152158.9-151.80000120.8
819Q35.1Very low35.9Very low180 Ų180142.9 Ų142.984%0.84179%0.786SS**  trans74.9140.7157.5-76.915112.300122.3
820Y32.2Very low36.3Very low217 Ų217145 Ų14585%0.85179%0.788SS**  trans-91.1169.5178.1-71.5-95000111.9
821P40.9Very low36Very low131 Ų131149 Ų14985%0.85179%0.788SS**  -143.1-175.9104.538.1-23.5000115.3
822S33.9Very low36.3Very low109 Ų109147.7 Ų147.776%0.76279%0.786SS**  trans-124155.8-165-42.60000115
823S36Very low36.3Very low114 Ų114145.2 Ų145.280%0.79778%0.782SS**  trans-168.2137.6157.739.20000109.3
824I33.5Very low36.3Very low156 Ų156148.4 Ų148.480%0.879%0.788SS**  cis113143.326.5-79.4172.6000111.4
825S36.8Very low36.2Very low104 Ų104143.7 Ų143.773%0.72778%0.778SS**  trans91.6146175.683.40000116.7
826R34.7Very low36.3Very low242 Ų242145 Ų14591%0.91378%0.78SS**  cis-160.1160.4-10-118.3169-170.6-173.32.4110.2
827S38.6Very low36.2Very low117 Ų117143 Ų14382%0.81877%0.771SS**  trans-133.9157.4-176.9-35.60000113.7
828P45.8Very low36Very low124 Ų124148.4 Ų148.481%0.80577%0.77SS**  trans-142.3173.3147.739.3-25.1000113.8
829S34.3Very low36.1Very low100 Ų100153.2 Ų153.270%0.69977%0.773SS**  cis-171-172.3-3967.40000109.2
830L38.5Very low36.1Very low150 Ų150152 Ų15279%0.78577%0.767SS**  trans83.4141.7173.2-52176.2000117.9
831R35.4Very low36.2Very low205 Ų205149.8 Ų149.877%0.77476%0.763SS**  cis-169.1135.5-29.9-134.6-171.5-171.3178.82.3111.2
832N37.4Very low36Very low145 Ų145148.6 Ų148.678%0.77576%0.756SS**  trans63.5155.3153.2-68.35.4000119.2
833S35.9Very low35.9Very low100 Ų100150.3 Ų150.370%0.69976%0.756SS**  cis-159.7152.70.145.50000113.3
834R35Very low35.5Very low224 Ų224155.7 Ų155.785%0.84576%0.759SS**  trans39.7150.1136.5-68-171166.2163.1-5.5121.8
835N35Very low35.5Very low109 Ų109153.6 Ų153.658%0.58376%0.759SS**  cis-169.6160.2-12.7-113.824.9000108.7
836E35.8Very low35.5Very low156 Ų156154.1 Ų154.173%0.72976%0.762SS**  trans61.8165.9145.2-70.7174.1-106.900120.1
837H36.5Very low35.4Very low143 Ų143150.5 Ų150.566%0.66276%0.761SS**  cis-158.3146-46.5-124.6-38.4000109.7
838Y30.6Very low35.4Very low185 Ų185150.6 Ų150.673%0.72576%0.762SS**  trans66.7140.2150.4-82.4-60.1000124.7
839R35.9Very low34.9Very low207 Ų207149.7 Ų149.778%0.78177%0.765SS**  trans81.699.5139.3-74.7174.3-179.6-158.3-2122.8
840H35.2Very low34.8Very low154 Ų154150.4 Ų150.471%0.71377%0.769SS**  51.9116.7118.6-69.3-59.8000122.9
841H33.8Very low34.7Very low170 Ų170151.7 Ų151.779%0.78777%0.769SS**  81155.3127.9-71.2-41000121
842P38.3Very low34.6Very low106 Ų106152.4 Ų152.469%0.68877%0.773SS**  trans-122.1171.4-134.743.3-34.6000115.7
843N32Very low34.5Very low145 Ų145154.5 Ų154.578%0.77578%0.778SS**  trans-161132.1150.3-113.5-51.4000115.6
844R27.5Very low34.8Very low227 Ų227154.3 Ų154.386%0.85777%0.774SS**  trans33157.5136-78179.7160.5-164.6-4.4124.3
845S31.8Very low34.8Very low113 Ų113150 Ų15079%0.7978%0.777SS**  trans85.5148.616883.60000114.8
846S38.7Very low34.8Very low115 Ų115151.9 Ų151.980%0.80478%0.782SS**  cis-133.9172.417.5-74.70000115.1
847N32.4Very low34.8Very low166 Ų166156.5 Ų156.589%0.88879%0.793SS**  trans-100146.6-173.4-60.3-49.6000114.4
848S38.4Very low34.7Very low119 Ų119156.4 Ų156.483%0.83279%0.793SS**  trans-173.5141.414755.50000110.1
849A35.2Very low34.9Very low105 Ų105157.2 Ų157.287%0.86880%0.796SS**  cis-153168.6-14.300000108.8
850S32.1Very low35Very low114 Ų114155.9 Ų155.980%0.79780%0.796SS**  trans-102160-168.361.40000115.1
851K36.2Very low34.8Very low178 Ų178153.9 Ų153.977%0.77480%0.799SS**  trans-158.7140.3143.8-118.4164.8-173.2174.40114.2
852Y33.3Very low35.1Very low219 Ų219151.9 Ų151.986%0.85980%0.801SS**  trans73.7147.4176.7-65.2-76.8000119
853H36.3Very low34.8Very low189 Ų189155.7 Ų155.788%0.87581%0.81SS**  trans-133.5172.8-150.2-111.9-19.2000112
854P40.6Very low35Very low96 Ų96160.1 Ų160.162%0.62382%0.815SS**  trans-118-170.5-157.244.1-34.7000114.1
855C34.9Very low35.5Very low135 Ų135154.5 Ų154.591%0.91281%0.811SS**  trans-128.7108.8156.9-98.90000110.6
856Q34.7Very low35.6Very low148 Ų148153.8 Ų153.869%0.69281%0.812SS**  trans-84.9148.5169.3-66.1172.4-27.900110.8
857R37.4Very low35.6Very low253 Ų253155.8 Ų155.896%0.95581%0.813SS**  trans-141.7138133.7-72.5-157.6173.9-161.6-3.3109.7
858H33.3Very low35.8Very low140 Ų140153.8 Ų153.865%0.64880%0.802SS**  trans-82.3166.8179.9-62.4-108.6000111.3
859Y35.3Very low35.6Very low203 Ų203156.7 Ų156.780%0.79680%0.8SS**  -173.9116.1105.6-105.2-76.3000113.8
860K38.1Very low35.9Very low179 Ų179157.7 Ų157.778%0.77880%0.796SS**  trans27.7126.1149.7-59.2179.7-177.5-178.60121.6
861S31.7Very low36Very low111 Ų111158.7 Ų158.778%0.77680%0.8SS**  trans-76.7171146.3-52.50000111.3
862P38.5Very low36Very low129 Ų129154.1 Ų154.184%0.83880%0.802SS**  -138.4161.1111.438.5-28.4000114.5
863E31.9Very low36.2Very low185 Ų185153.2 Ų153.286%0.86480%0.803SS**  trans-87.9158.9174.3-54.2166.4124.300111.8
864R37.3Very low36.4Very low238 Ų238153.4 Ų153.490%0.89880%0.804SS**  trans-165.1129137-114.3171-170.5-147.7-1.4114.4
865S37.6Very low36.2Very low110 Ų110156.3 Ų156.377%0.76981%0.814SS**  trans35.8120.8145.656.80000120.2
866A33.9Very low36.4Very low97 Ų97159.4 Ų159.480%0.80281%0.812SS**  trans-74.3157.6163.900000112.8
867L38.1Very low36.5Very low158 Ų158157.4 Ų157.483%0.82782%0.815SS**  trans-163.8110.2146.8-106.4167.5000110.3
868D37.9Very low36.6Very low124 Ų124150.2 Ų150.266%0.66380%0.803SS**  trans57130.2131.2-79.218.6000126.2
869F34.2Very low36.8Very low179 Ų179150.2 Ų150.279%0.78581%0.813SS**  trans82.4129.8137.2-84.6-63.7000124.7
870T40.5Very low36.8Very low127 Ų127145.6 Ų145.678%0.77981%0.81SS**  trans77.1128.8159.164.80000120.8
871P34.2Very low36.8Very low135 Ų135142.6 Ų142.688%0.87781%0.812SS**  trans-97.2119.8171.735-29.9000113
872G36Very low37.1Very low81 Ų81144.5 Ų144.584%0.83581%0.813SS**  trans-106.2139.4176.400000113.7
873K39.1Very low37.2Very low200 Ų200146.5 Ų146.587%0.8781%0.811SS**  trans-87.2132.6177.2-59.7170.2-177.1169.70111.1
874H40.5Very low37.4Very low194 Ų194143.4 Ų143.490%0.89881%0.807SS**  trans-144.6114.1153.1-93.6-73.4000112.5
875N35.3Very low37.5Very low157 Ų157141.8 Ų141.884%0.8481%0.807SS**  trans-86.5142.9161.4-76.4-20.9000109.3
876K38.6Very low37.3Very low199 Ų199148.6 Ų148.687%0.86582%0.816SS**  trans-178.5141.4139.4-105.4164-174.5-176.90112
877S37.9Very low37.4Very low107 Ų107154.7 Ų154.775%0.74882%0.818SS**  trans42.7142.1146.856.80000121.8
878S38.3Very low37.1Very low102 Ų102153.4 Ų153.471%0.71382%0.817SS**  cis-175.3-168-4.849.40000109.7
879V39.1Very low37Very low140 Ų140155.9 Ų155.985%0.84882%0.824SS**  trans79.7130.4171.7-168.60000115.5
880S33.4Very low37Very low106 Ų106155.8 Ų155.874%0.74183%0.826SS**  trans-136.8162.5175.668.80000110.3
881S39.7Very low36.7Very low116 Ų116154.8 Ų154.881%0.81182%0.824SS**  trans-171.6152.513535.20000111
882N37.8Very low36.9Very low151 Ų151154.2 Ų154.281%0.80782%0.82SS**  trans-81.9143.7-168.3-56.8-57.9000112.8
883Q40.2Very low36.9Very low171 Ų171156.2 Ų156.280%0.79982%0.816SS**  161.1125.9122.5-85.7-67.7-15.500110.7K885Q883-K885 PolarHBondContact O-N 2.92Å
884P35.6Very low37Very low119 Ų119151.5 Ų151.577%0.77381%0.806SS**  trans-81.4103.2-176.631.5-33.8000112.5R886P884-R886 PolarHBondContact O-N 3.37Å
885K40.4Very low37Very low205 Ų205147.9 Ų147.989%0.89180%0.799SS**  trans-65.7119.4168.3-87-177.6175175.60110.6Q883 R887Q883-K885 PolarHBondContact O-N 2.92Å; K885-R887 PolarHBondContact O-N 2.95Å
886R33.2Very low37.2Very low253 Ų253147.2 Ų147.296%0.95580%0.801SS**  trans-42.5125.7171-73.7172.4162-179-6.2110.9P884P884-R886 PolarHBondContact O-N 3.37Å
887R36.2Very low37.4Very low225 Ų225142.6 Ų142.685%0.84979%0.786SS**  trans-125.1119.8165.1-151.4169.6-173.5168.61.2109K885 H889K885-R887 PolarHBondContact O-N 2.95Å; R887-H889 PolarHBondContact O-N 3.43Å
888T32.2Very low37.9Very low131 Ų131142 Ų14280%0.80478%0.782SS**  trans-67.7107-176.418.70000110.6
889H35Very low38.4Very low175 Ų175143.8 Ų143.881%0.8178%0.783SS**PPolyproline II helixtrans-80.2120.1164-80.2-89.3000109R887 S891R887-H889 PolarHBondContact O-N 3.43Å; H889-S891 PolarHBondContact O-N 2.95Å
890H35Very low38.8Very low178 Ų178139.4 Ų139.482%0.82476%0.759SS**PPolyproline II helixtrans-62.8124.2174.2-68.3-99.4000109.8
891S32.9Very low39.5Very low106 Ų106139 Ų13974%0.74176%0.756SS**PPolyproline II helixtrans-60.1126.6168.3-64.90000109.4H889 V893H889-S891 PolarHBondContact O-N 2.95Å; S891-V893 PolarHBondContact O-N 3.47Å
892P38.1Very low39.8Very low122 Ų122141.1 Ų141.179%0.79275%0.751SS**  trans-67110.8171.127.4-32.2000108.3P894P892-P894 WeakPolarHBondContact O-CD 3.36Å
893V37.1Very low40.3Very low124 Ų124142.1 Ų142.175%0.75274%0.743SS**PPolyproline II helixtrans-57.3120.3173.61770000107.7S891S891-V893 PolarHBondContact O-N 3.47Å
894P40.7Very low41.1Very low101 Ų101142.7 Ų142.766%0.65674%0.738SS**PPolyproline II helixtrans-65.2127.6178.126.5-32.8000108.2P892 T896P892-P894 WeakPolarHBondContact O-CD 3.36Å; P894-T896 PolarHBondContact O-N 2.66Å
895P39.8Very low42.2Very low118 Ų118143.8 Ų143.877%0.76673%0.731SS**PPolyproline II helixtrans-60131.5-174.723-33.1000110.1N897P895-N897 PolarHBondContact O-N 2.9Å
896T40.3Very low43Very low142 Ų142139 Ų13987%0.87171%0.712SS**  trans-72.739.6-175.741.90000113.2P894 S898P894-T896 PolarHBondContact O-N 2.66Å; T896-S898 PolarHBondContact O-N 3.31Å
897N41.7Very low44.5Very low103 Ų103135.7 Ų135.755%0.55170%0.7SS**  trans-75.797.3-179.4-166-27.6000110.4P895 N899 S900P895-N897 PolarHBondContact O-N 2.9Å; N897-N899 PolarHBondContact O-N 3.09Å; N897-N899 VanDerWaalsContact O-N 3.08Å; N897-N899 PolarHBondContact OD1-N 2.88Å; N897-N899 VanDerWaalsContact OD1-N 3.13Å; N897-S900 PolarHBondContact O-N 3Å
898S49Very low45.8Very low95 Ų95130.4 Ų130.466%0.66468%0.684SS**THydrogen-bonded Turntrans-58.2-16.2178.751.10000114.4T896T896-S898 PolarHBondContact O-N 3.31Å
899N48Very low47.4Very low138 Ų138133.2 Ų133.274%0.73868%0.68SS**THydrogen-bonded Turntrans-97.717.2-178-70-42.5000114.4N897 S901N897-N899 PolarHBondContact O-N 3.09Å; N897-N899 VanDerWaalsContact O-N 3.08Å; N897-N899 PolarHBondContact OD1-N 2.88Å; N897-N899 VanDerWaalsContact OD1-N 3.13Å; N899-S901 PolarHBondContact O-N 3.47Å
900S48.1Very low48.9Very low48 Ų48129.7 Ų129.734%0.33667%0.666SS.*  trans-59.3130.817797.50000111.5N897 F902 R903 R904N897-S900 PolarHBondContact O-N 3Å; S900-F902 PolarHBondContact O-N 2.85Å; S900-F902 VanDerWaalsContact O-N 3.14Å; S900-R903 PolarHBondContact O-N 3.24Å; S900-R903 VanDerWaalsContact O-N 3.11Å; S900-R903 PolarHBondContact OG-N 3.31Å; S900-R904 PolarHBondContact O-N 3.31Å
901S49Very low50.1Low99 Ų99125.9 Ų125.969%0.69265%0.652SS**Hα-helixtrans-58.6-29.5-176.950.50000112.7N899 R904 F905N899-S901 PolarHBondContact O-N 3.47Å; S901-R904 PolarHBondContact O-N 3.25Å; S901-F905 PolarHBondContact O-N 3.47Å
902F45.4Very low51.3Low159 Ų159125.4 Ų125.470%0.69764%0.641SS**Hα-helixtrans-63.9-50.3175.1-135.6-88.5000112S900 R904 F905 E906S900-F902 PolarHBondContact O-N 2.85Å; S900-F902 VanDerWaalsContact O-N 3.14Å; F902-R904 VanDerWaalsContact C-N 3.29Å; F902-R904 PolarHBondContact O-N 2.98Å; F902-F905 WeakPolarHBondContact O-CB 3.42Å; F902-F905 PolarHBondContact O-N 3Å; F902-E906 PolarHBondContact O-N 3.04Å
903R48.7Very low51.9Low172 Ų172124.8 Ų124.865%0.64963%0.627SS**Hα-helixtrans-68.5-28176.4-74.2-168.8-177.5-130.96.3112.5S900 R907S900-R903 PolarHBondContact O-N 3.24Å; S900-R903 VanDerWaalsContact O-N 3.11Å; S900-R903 PolarHBondContact OG-N 3.31Å; R903-R907 WeakPolarHBondContact O-CG 3.5Å; R903-R907 PolarHBondContact O-N 2.91Å
904R57.7Low52.8Low183 Ų183123 Ų12369%0.69161%0.613SS**Hα-helixtrans-63.7-46.2171.2-158.7176.6-169166.95.7110.9S900 S901 F902 E906 R907 E908S900-R904 PolarHBondContact O-N 3.31Å; S901-R904 PolarHBondContact O-N 3.25Å; F902-R904 VanDerWaalsContact C-N 3.29Å; F902-R904 PolarHBondContact O-N 2.98Å; R904-E906 PolarHBondContact O-N 3.03Å; R904-R907 PolarHBondContact O-N 2.9Å; R904-E908 PolarHBondContact O-N 2.69Å
905F57.8Low53.4Low143 Ų143127.6 Ų127.663%0.62762%0.618SS**Hα-helixtrans-63.6-38176.6-145.1-94.5000112.4S901 F902 E908 R909S901-F905 PolarHBondContact O-N 3.47Å; F902-F905 WeakPolarHBondContact O-CB 3.42Å; F902-F905 PolarHBondContact O-N 3Å; F905-E908 PolarHBondContact O-N 3.46Å; F905-R909 WeakPolarHBondContact O-CB 3.4Å; F905-R909 PolarHBondContact O-N 3.45Å
906E57.2Low53.8Low103 Ų103129.7 Ų129.748%0.48161%0.61SS.*Hα-helixtrans-65.8-44.7173-71.5-174.1137.700112.8F902 R904 E908 R909 I910F902-E906 PolarHBondContact O-N 3.04Å; R904-E906 PolarHBondContact O-N 3.03Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 3.06Å; E906-R909 WeakPolarHBondContact O-CB 3.44Å; E906-R909 PolarHBondContact O-N 3.38Å; E906-R909 VanDerWaalsContact O-N 3.14Å; E906-I910 WeakPolarHBondContact O-CG1 3.29Å; E906-I910 PolarHBondContact O-N 3.48Å
907R63.8Low54.1Low185 Ų185129.4 Ų129.470%0.69860%0.597SS**Hα-helixtrans-60.3-39.3174.8-77.4-174.4178.9-169.41112.1R903 R904 N911R903-R907 WeakPolarHBondContact O-CG 3.5Å; R903-R907 PolarHBondContact O-N 2.91Å; R904-R907 PolarHBondContact O-N 2.9Å; R907-N911 WeakPolarHBondContact O-CB 3.46Å; R907-N911 PolarHBondContact O-N 3.22Å; R907-N911 PolarHBondContact O-ND2 3.03Å
908E64.3Low54.3Low114 Ų114134.7 Ų134.753%0.53361%0.609SS.*Hα-helixtrans-65.8-41.6173.4-75.7175.5179.700111.8R904 F905 E906 I910 N911 L912R904-E908 PolarHBondContact O-N 2.69Å; F905-E908 PolarHBondContact O-N 3.46Å; E906-E908 VanDerWaalsContact C-N 3.3Å; E906-E908 PolarHBondContact O-N 3.06Å; E908-I910 PolarHBondContact O-N 3.39Å; E908-N911 PolarHBondContact O-N 2.98Å; E908-L912 WeakPolarHBondContact O-CB 3.45Å; E908-L912 PolarHBondContact O-N 3.31Å
909R66.8Low53.9Low190 Ų190134 Ų13472%0.71761%0.609SS**Hα-helixtrans-59.6-46.4175-134.9177.5-174.8-173.1-0.2111.9F905 E906 L912 H913F905-R909 WeakPolarHBondContact O-CB 3.4Å; F905-R909 PolarHBondContact O-N 3.45Å; E906-R909 WeakPolarHBondContact O-CB 3.44Å; E906-R909 PolarHBondContact O-N 3.38Å; E906-R909 VanDerWaalsContact O-N 3.14Å; R909-L912 PolarHBondContact O-N 2.93Å; R909-H913 PolarHBondContact O-N 3.48Å
910I64.8Low53.2Low100 Ų100134 Ų13451%0.51361%0.609SS.*Hα-helixtrans-66.6-44.7178.6-66.7164000110.6E906 E908 L912 H913 N914E906-I910 WeakPolarHBondContact O-CG1 3.29Å; E906-I910 PolarHBondContact O-N 3.48Å; E908-I910 PolarHBondContact O-N 3.39Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 2.86Å; I910-H913 PolarHBondContact O-N 2.85Å; I910-N914 WeakPolarHBondContact O-CB 3.47Å; I910-N914 PolarHBondContact O-N 2.94Å
911N60.8Low52.4Low99 Ų99135.1 Ų135.153%0.52962%0.616SS.*Hα-helixtrans-63.3-37.4175.3-89.6-36.3000112.8R907 E908 H913 R915R907-N911 WeakPolarHBondContact O-CB 3.46Å; R907-N911 PolarHBondContact O-N 3.22Å; R907-N911 PolarHBondContact O-ND2 3.03Å; E908-N911 PolarHBondContact O-N 2.98Å; N911-H913 VanDerWaalsContact C-N 3.35Å; N911-R915 WeakPolarHBondContact O-CB 3.31Å; N911-R915 WeakPolarHBondContact O-CG 3.49Å; N911-R915 PolarHBondContact O-N 3Å
912L58.8Low51.6Low95 Ų95135 Ų13550%0.49761%0.614SS.*Hα-helixtrans-67.7-37.2174.9-157.879.8000111.4E908 R909 I910 R916E908-L912 WeakPolarHBondContact O-CB 3.45Å; E908-L912 PolarHBondContact O-N 3.31Å; R909-L912 PolarHBondContact O-N 2.93Å; I910-L912 VanDerWaalsContact C-N 3.34Å; I910-L912 PolarHBondContact O-N 2.86Å; L912-R916 WeakPolarHBondContact O-CB 3.41Å; L912-R916 WeakPolarHBondContact O-CG 3.44Å; L912-R916 PolarHBondContact O-N 3.12Å
913H50.7Low51Low110 Ų110134.1 Ų134.151%0.50962%0.621SS.*Hα-helixtrans-66.7-45175.1-136.7-35.7000111.6R909 I910 N911 R916 F917R909-H913 PolarHBondContact O-N 3.48Å; I910-H913 PolarHBondContact O-N 2.85Å; N911-H913 VanDerWaalsContact C-N 3.35Å; H913-R916 PolarHBondContact O-N 3.35Å; H913-F917 AromaticContact CE1-CE2 3.42Å; H913-F917 VanDerWaalsContact CE1-CE2 3.42Å; H913-F917 WeakPolarHBondContact CE1-CE2 3.43Å; H913-F917 AromaticContact ND1-CD2 3.48Å; H913-F917 WeakPolarHBondContact ND1-CD2 3.48Å; H913-F917 AromaticContact ND1-CE2 3.26Å; H913-F917 VanDerWaalsContact ND1-CE2 3.26Å; H913-F917 WeakPolarHBondContact ND1-CE2 3.23Å; H913-F917 WeakPolarHBondContact O-CD2 3.44Å; H913-F917 PolarHBondContact O-N 3.49Å
914N55.1Low50.2Low87 Ų87132.1 Ų132.147%0.46562%0.622SS.*Hα-helixtrans-66.3-38.3177.6-72.1-10.1000112.2I910 F917 R918I910-N914 WeakPolarHBondContact O-CB 3.47Å; I910-N914 PolarHBondContact O-N 2.94Å; N914-F917 PolarHBondContact O-N 3.34Å; N914-R918 PolarHBondContact O-N 3.42Å
915R53.9Low48.9Very low197 Ų197130 Ų13074%0.74363%0.625SS**Hα-helixtrans-63.9-39.9171.1-79.2-176.4174.7-171.3-1.9111.8N911 R918 A919N911-R915 WeakPolarHBondContact O-CB 3.31Å; N911-R915 WeakPolarHBondContact O-CG 3.49Å; N911-R915 PolarHBondContact O-N 3Å; R915-R918 PolarHBondContact O-N 3.06Å; R915-A919 VanDerWaalsContact O-CB 3.3Å; R915-A919 WeakPolarHBondContact O-CB 3.4Å; R915-A919 PolarHBondContact O-N 3.24Å
916R48.5Very low47.7Very low162 Ų162133.1 Ų133.161%0.61163%0.632SS**Hα-helixtrans-68.2-37.5175.4-75.7176.8176.6-171.6-1.3112.8L912 H913 A919 L920L912-R916 WeakPolarHBondContact O-CB 3.41Å; L912-R916 WeakPolarHBondContact O-CG 3.44Å; L912-R916 PolarHBondContact O-N 3.12Å; H913-R916 PolarHBondContact O-N 3.35Å; R916-A919 PolarHBondContact O-N 3.03Å; R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.27Å; R916-L920 WeakPolarHBondContact O-CG 3.36Å; R916-L920 PolarHBondContact O-N 2.95Å
917F46.6Very low46.3Very low136 Ų136134.7 Ų134.760%0.59664%0.644SS**Hα-helixtrans-71.5-32.1173.5-85.1-63.8000113.5H913 N914 L920 S921H913-F917 AromaticContact CE1-CE2 3.42Å; H913-F917 VanDerWaalsContact CE1-CE2 3.42Å; H913-F917 WeakPolarHBondContact CE1-CE2 3.43Å; H913-F917 AromaticContact ND1-CD2 3.48Å; H913-F917 WeakPolarHBondContact ND1-CD2 3.48Å; H913-F917 AromaticContact ND1-CE2 3.26Å; H913-F917 VanDerWaalsContact ND1-CE2 3.26Å; H913-F917 WeakPolarHBondContact ND1-CE2 3.23Å; H913-F917 WeakPolarHBondContact O-CD2 3.44Å; H913-F917 PolarHBondContact O-N 3.49Å; N914-F917 PolarHBondContact O-N 3.34Å; F917-L920 CarbonylContact O-C 3.55Å; F917-L920 PolarHBondContact O-N 3.13Å; F917-S921 PolarHBondContact O-N 3.27Å; F917-S921 PolarHBondContact O-OG 3.39Å
918R45.3Very low44.9Very low213 Ų213131.4 Ų131.480%0.80465%0.645SS**Hα-helixtrans-71-35.7169.6-75-169.4176.1-154.6-0.4112.8N914 R915 L920 S921N914-R918 PolarHBondContact O-N 3.42Å; R915-R918 PolarHBondContact O-N 3.06Å; R918-L920 VanDerWaalsContact C-N 3.29Å; R918-S921 PolarHBondContact O-N 3.43Å; R918-S921 PolarHBondContact O-OG 3.02Å
919A40.6Very low43.1Very low81 Ų81136 Ų13667%0.66966%0.658SS**Hα-helixtrans-77.7-11.8174.400000114.2R915 R916R915-A919 VanDerWaalsContact O-CB 3.3Å; R915-A919 WeakPolarHBondContact O-CB 3.4Å; R915-A919 PolarHBondContact O-N 3.24Å; R916-A919 PolarHBondContact O-N 3.03Å
920L33.4Very low41.4Very low138 Ų138137.6 Ų137.672%0.72366%0.664SS**THydrogen-bonded Turntrans-119.221.9173.3-63.3173.8000111.6R916 F917 R918R916-L920 VanDerWaalsContact O-CB 3.28Å; R916-L920 WeakPolarHBondContact O-CB 3.27Å; R916-L920 WeakPolarHBondContact O-CG 3.36Å; R916-L920 PolarHBondContact O-N 2.95Å; F917-L920 CarbonylContact O-C 3.55Å; F917-L920 PolarHBondContact O-N 3.13Å; R918-L920 VanDerWaalsContact C-N 3.29Å
921S31.4Very low39.7Very low71 Ų71144 Ų14450%0.49768%0.682SS.*SBendtrans-63.3123.3159-63.70000106F917 R918 V923F917-S921 PolarHBondContact O-N 3.27Å; F917-S921 PolarHBondContact O-OG 3.39Å; R918-S921 PolarHBondContact O-N 3.43Å; R918-S921 PolarHBondContact O-OG 3.02Å; S921-V923 PolarHBondContact O-N 3.39Å
922P31.6Very low38.4Very low98 Ų98147.2 Ų147.264%0.63670%0.697SS**  trans-59.9136.5177.626.1-33.6000107.6L924P922-L924 HydrophobicContact CB-CG 4.3Å; P922-L924 HydrophobicContact CG-CD1 4.18Å; P922-L924 HydrophobicContact CG-CG 4.06Å; P922-L924 PolarHBondContact O-N 3.03Å
923V32.7Very low37Very low139 Ų139145.2 Ų145.284%0.84270%0.7SS**  trans-69.674.4150.7-175.70000105.6S921 N925S921-V923 PolarHBondContact O-N 3.39Å; V923-N925 PolarHBondContact O-N 2.92Å
924L33Very low36.1Very low131 Ų131147.4 Ų147.469%0.68671%0.714SS**  trans-5596.9148.6-85.8166.8000103.8P922 R926P922-L924 HydrophobicContact CB-CG 4.3Å; P922-L924 HydrophobicContact CG-CD1 4.18Å; P922-L924 HydrophobicContact CG-CG 4.06Å; P922-L924 PolarHBondContact O-N 3.03Å; L924-R926 PolarHBondContact O-N 2.89Å
925N30.6Very low35.1Very low138 Ų138150 Ų15074%0.73873%0.728SS**  trans-65.179.2166.5-16816000105.4V923 N927V923-N925 PolarHBondContact O-N 2.92Å; N925-N927 PolarHBondContact O-N 3.47Å; N925-N927 VanDerWaalsContact O-N 3.1Å
926R30.8Very low33.9Very low209 Ų209146.7 Ų146.779%0.78974%0.735SS**  trans-56.2121.4179.8-86-178.2164.3179.9-5.6105.1L924 T928L924-R926 PolarHBondContact O-N 2.89Å; R926-T928 PolarHBondContact O-N 3.48Å
927N29.5Very low33.3Very low136 Ų136145.3 Ų145.373%0.72774%0.739SS**  trans-53.592.9167.3-69.4-12.6000107.7N925 Y929N925-N927 PolarHBondContact O-N 3.47Å; N925-N927 VanDerWaalsContact O-N 3.1Å; N927-Y929 HydrophobicContact CB-CD2 4.07Å; N927-Y929 HydrophobicContact CB-CE2 4.13Å; N927-Y929 PolarHBondContact O-N 3.32Å
928T33.1Very low32.7Very low116 Ų116147.6 Ų147.671%0.71275%0.749SS**  trans-72.685.217042.40000106R926 R930R926-T928 PolarHBondContact O-N 3.48Å; T928-R930 PolarHBondContact O-N 3.14Å
929Y28.1Very low32.2Very low210 Ų210144 Ų14482%0.82475%0.75SS**  trans-59.152.5146.6-76.1-90.6000109.8N927 R931N927-Y929 HydrophobicContact CB-CD2 4.07Å; N927-Y929 HydrophobicContact CB-CE2 4.13Å; N927-Y929 PolarHBondContact O-N 3.32Å; Y929-R931 VanDerWaalsContact C-N 3.29Å; Y929-R931 PolarHBondContact O-N 2.73Å; Y929-R931 VanDerWaalsContact O-N 3.1Å
930R30.4Very low31.9Very low223 Ų223146 Ų14684%0.84276%0.759SS**  trans-67.4103.3150.2-94.1-163.7169.9-151.1-2.2104.1T928 I932T928-R930 PolarHBondContact O-N 3.14Å; R930-I932 PolarHBondContact O-N 2.96Å
931R29.7Very low31.8Very low236 Ų236142.5 Ų142.589%0.89176%0.756SS**  trans-45.4113.3173.8-56.3171.6-171.5-170.9-0.2107.6Y929 G933Y929-R931 VanDerWaalsContact C-N 3.29Å; Y929-R931 PolarHBondContact O-N 2.73Å; Y929-R931 VanDerWaalsContact O-N 3.1Å; R931-G933 VanDerWaalsContact C-N 3.3Å; R931-G933 PolarHBondContact O-N 3.17Å
932I31.7Very low32.1Very low165 Ų165145.4 Ų145.485%0.84677%0.774SS**  trans-61.8108.7151.8-65.5177.6000103.2R930 I934R930-I932 PolarHBondContact O-N 2.96Å; I932-I934 PolarHBondContact O-N 2.85Å
933G30.2Very low32.1Very low54 Ų54151.5 Ų151.556%0.55778%0.784SS**  trans-67.3102.9-176.600000108.5R931 N935R931-G933 VanDerWaalsContact C-N 3.3Å; R931-G933 PolarHBondContact O-N 3.17Å; G933-N935 PolarHBondContact O-N 3.24Å; G933-N935 VanDerWaalsContact O-N 3.14Å
934I32.1Very low32.2Very low155 Ų155155 Ų15580%0.79579%0.788SS**  trans-54.9121.6163.6-58.8176.1000105.7I932 S936I932-I934 PolarHBondContact O-N 2.85Å; I934-S936 PolarHBondContact O-N 3.32Å
935N33.2Very low32.3Very low142 Ų142155.5 Ų155.576%0.75979%0.792SS**  trans-61.6102.6-170-79.1-40.7000110.7G933 L937G933-N935 PolarHBondContact O-N 3.24Å; G933-N935 VanDerWaalsContact O-N 3.14Å; N935-L937 PolarHBondContact O-N 3.24Å
936S29.6Very low32.6Very low128 Ų128161 Ų16190%0.89580%0.802SS**  trans-74.758174.4-58.60000111.3I934I934-S936 PolarHBondContact O-N 3.32Å
937L35.3Very low32.8Very low132 Ų132156.8 Ų156.869%0.69180%0.799SS**  trans-127.278.2-172.7-93.5169.2000112.6N935N935-L937 PolarHBondContact O-N 3.24Å
938K33.5Very low33.3Very low185 Ų185159 Ų15980%0.80481%0.805SS**  trans73.8160152.9-56177.7178.5178.30118.9
939V35Very low33.6Very low138 Ų138160.8 Ų160.884%0.83681%0.805SS**  trans90.9109.2164.2-167.80000117.3
940S34.6Very low34.1Very low121 Ų121156.8 Ų156.885%0.84679%0.794SS**  trans34.2131154.1-125.20000121.9
941G31.5Very low34.4Very low65 Ų65155.5 Ų155.567%0.6779%0.789SS**  trans-96.6-166164.800000113
942P37.9Very low35.4Very low133 Ų133157.9 Ų157.986%0.86481%0.806SS**  -124.5155.5126.736-31.9000112.9
943R31.2Very low35.5Very low226 Ų226157.5 Ų157.585%0.85380%0.804SS**  trans-81.7145.2171.8-69171167163.9-6.6110.3
944F36.4Very low35.8Very low212 Ų212162.9 Ų162.993%0.9382%0.817SS**  trans-141.9129.6140.5-106.3-78.2000110.8
945N33.2Very low36Very low141 Ų141163.4 Ų163.475%0.75482%0.819SS**  trans-89.1147.3175.3-68.4-24.6000110
946R36.8Very low36.2Very low255 Ų255164.6 Ų164.696%0.96282%0.822SS**  trans-153.7134.9132.3-115.6169-172-173.61.4112.3
947T35.6Very low36.6Very low119 Ų119166.9 Ų166.973%0.7382%0.817SS**  trans-104.3141.8-176.846.10000110.8
948H41Very low36.7Very low182 Ų182169.3 Ų169.384%0.84383%0.826SS**  trans-168.3129.7147.7-105.8-81000105.9
949H39.8Very low36.9Very low155 Ų155168.1 Ų168.172%0.71883%0.827SS**  57.9126.651.4-74.9-8.8000112.9
950Q38.6Very low37.1Very low125 Ų125170.5 Ų170.558%0.58483%0.827SS**  cis-159.7165.46.9-124.8-179.450.500111.3
951R36.2Very low37.3Very low196 Ų196174.6 Ų174.674%0.7483%0.825SS**  trans30.5124.6148.2-67.3170.5178.9157.4-12.4119.4
952F49.4Very low37.8Very low286 Ų286184.5 Ų184.5100%1.25484%0.839SS**  -132.2084.1-97.5-81.5000110

Retrieved 952 of 952 residues in 163.8 ms (Link to these results)