A0A087WYQ2_HUMAN Loading...

Testis expressed basic protein 1

AlphaFold DB , UniProt , Accession A0A087WYQ2, Species HUMAN (Homo sapiens, Human), Gene TSBP1, Length 565 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M69.9Low93.1Very high194 Ų19499.2 Ų99.296%0.95655%0.548SS*.  0139.80-64.4-166.8-162.300109.2E5M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å
2T90.3Very high93.5Very high74 Ų74100.5 Ų100.545%0.45455%0.553SS.*  trans-76.8162.817165.20000111.6L4 E5 I6T2-L4 PolarHBondContact O-N 3.35Å; T2-E5 VanDerWaalsContact CB-OE1 3.25Å; T2-E5 WeakPolarHBondContact CB-OE1 3.19Å; T2-E5 VanDerWaalsContact CG2-OE1 3.32Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.32Å; T2-E5 PolarHBondContact N-OE1 3.27Å; T2-E5 PolarHBondContact N-OE2 3.03Å; T2-E5 PolarHBondContact O-N 3.09Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 PolarHBondContact OG1-OE1 2.67Å; T2-I6 PolarHBondContact O-N 3.11Å
3V91.4Very high93.8Very high114 Ų11499.5 Ų99.569%0.69155%0.552SS**Hα-helixtrans-59.1-28.9174.1-1790000111.6T7V3-T7 WeakPolarHBondContact O-CB 3.32Å; V3-T7 PolarHBondContact O-N 3.19Å; V3-T7 PolarHBondContact O-OG1 3.43Å
4L93.4Very high94.1Very high128 Ų128100.1 Ų100.167%0.6755%0.553SS**Hα-helixtrans-67.5-41.5177.3-62.3175000112.2T2 T7 L8T2-L4 PolarHBondContact O-N 3.35Å; L4-T7 PolarHBondContact O-N 3.1Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.38Å
5E96.1Very high94.4Very high86 Ų86100.1 Ų100.140%0.40255%0.55SS.*Hα-helixtrans-61.4-45.3176-71.5146.9-113.800111.4M1 T2 L8 A9M1-E5 WeakPolarHBondContact CA-OE2 3.38Å; M1-E5 HydrophobicContact CB-CB 4.28Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 VanDerWaalsContact CG-OE2 3.23Å; M1-E5 WeakPolarHBondContact CG-OE2 3.07Å; T2-E5 VanDerWaalsContact CB-OE1 3.25Å; T2-E5 WeakPolarHBondContact CB-OE1 3.19Å; T2-E5 VanDerWaalsContact CG2-OE1 3.32Å; T2-E5 WeakPolarHBondContact CG2-OE1 3.32Å; T2-E5 PolarHBondContact N-OE1 3.27Å; T2-E5 PolarHBondContact N-OE2 3.03Å; T2-E5 PolarHBondContact O-N 3.09Å; T2-E5 PolarHBondContact OG1-N 3.26Å; T2-E5 PolarHBondContact OG1-OE1 2.67Å; E5-L8 PolarHBondContact O-N 2.89Å; E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.32Å
6I95.9Very high94.7Very high96 Ų9696.3 Ų96.349%0.49254%0.542SS..Hα-helixtrans-63.4-43.7177.1-61.9167.1000110.3T2 A9 V10T2-I6 PolarHBondContact O-N 3.11Å; I6-A9 PolarHBondContact O-N 3.5Å; I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 2.98Å
7T96.9Very high94.9Very high66 Ų6696.6 Ų96.641%0.40554%0.541SS..Hα-helixtrans-63-44.1178.4-57.30000111.5V3 L4 V10 I11V3-T7 WeakPolarHBondContact O-CB 3.32Å; V3-T7 PolarHBondContact O-N 3.19Å; V3-T7 PolarHBondContact O-OG1 3.43Å; L4-T7 PolarHBondContact O-N 3.1Å; T7-V10 PolarHBondContact O-N 3.1Å; T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.44Å; T7-I11 PolarHBondContact O-N 3.43Å
8L97.1Very high95.1Very high107 Ų10794 Ų9456%0.5653%0.534SS*.Hα-helixtrans-63.8-43.6175.7-75.4167.5000111.8L4 E5 V10 I11 L12L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.38Å; E5-L8 PolarHBondContact O-N 2.89Å; L8-V10 PolarHBondContact O-N 2.89Å; L8-I11 PolarHBondContact O-N 3.22Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.11Å
9A96.9Very high95.2Very high53 Ų5393.7 Ų93.744%0.43853%0.53SS..Hα-helixtrans-58.5-46.6176.100000111.5E5 I6 L12 T13E5-A9 WeakPolarHBondContact O-CB 3.38Å; E5-A9 PolarHBondContact O-N 3.32Å; I6-A9 PolarHBondContact O-N 3.5Å; A9-L12 PolarHBondContact O-N 3.46Å; A9-T13 WeakPolarHBondContact O-CB 3.46Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.3Å
10V97.9Very high95.4Very high78 Ų7893.6 Ų93.647%0.47353%0.527SS..Hα-helixtrans-61.2-46.2176.2170.80000111.8I6 T7 L8 L12 T13 L14I6-V10 WeakPolarHBondContact O-CG2 3.42Å; I6-V10 PolarHBondContact O-N 2.98Å; T7-V10 PolarHBondContact O-N 3.1Å; L8-V10 PolarHBondContact O-N 2.89Å; V10-L12 PolarHBondContact O-N 3.1Å; V10-T13 PolarHBondContact O-N 2.97Å; V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.32Å; V10-L14 PolarHBondContact O-N 3.04Å
11I98Very high95.5Very high95 Ų9591.6 Ų91.649%0.48752%0.522SS..Hα-helixtrans-61.3-44.6178.8-70.2166.7000111.2T7 L8 L14 L15T7-I11 HydrophobicContact CG2-CD1 3.91Å; T7-I11 VanDerWaalsContact O-CG1 3.29Å; T7-I11 WeakPolarHBondContact O-CG1 3.44Å; T7-I11 PolarHBondContact O-N 3.43Å; L8-I11 PolarHBondContact O-N 3.22Å; I11-L14 PolarHBondContact O-N 3.37Å; I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.24Å
12L97.9Very high96.8Very high115 Ų11587.7 Ų87.760%0.60250%0.504SS*.Hα-helixtrans-65.1-40.1178-70.3170000112L8 A9 V10 L15 G16L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 VanDerWaalsContact O-CG 3.28Å; L8-L12 WeakPolarHBondContact O-CG 3.46Å; L8-L12 PolarHBondContact O-N 3.11Å; A9-L12 PolarHBondContact O-N 3.46Å; V10-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.45Å; L12-G16 PolarHBondContact O-N 3.08Å
13T98.2Very high97.1Very high88 Ų8889 Ų8954%0.5451%0.507SS..Hα-helixtrans-62.5-46.4174.2-60.10000111.7A9 V10 L15 G16 L17A9-T13 WeakPolarHBondContact O-CB 3.46Å; A9-T13 PolarHBondContact O-N 3.38Å; A9-T13 PolarHBondContact O-OG1 3.3Å; V10-T13 PolarHBondContact O-N 2.97Å; T13-L15 PolarHBondContact O-N 3.18Å; T13-G16 PolarHBondContact O-N 2.55Å; T13-L17 HydrophobicContact CG2-CD1 4.17Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.23Å
14L97.9Very high97.4Very high108 Ų10888.1 Ų88.157%0.56550%0.498SS*.Hα-helixtrans-63.1-40.7177.7-70.1171.8000112V10 I11 L17 A18V10-L14 HydrophobicContact CG1-CD1 3.91Å; V10-L14 HydrophobicContact CG1-CG 4.42Å; V10-L14 WeakPolarHBondContact O-CG 3.32Å; V10-L14 PolarHBondContact O-N 3.04Å; I11-L14 PolarHBondContact O-N 3.37Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.22Å
15L98.4Very high97.5Very high99 Ų9986.1 Ų86.152%0.51849%0.492SS..Hα-helixtrans-64-43.3175.7-177.561.7000111.9I11 L12 T13 A18 I19I11-L15 WeakPolarHBondContact O-CB 3.35Å; I11-L15 PolarHBondContact O-N 3.24Å; L12-L15 PolarHBondContact O-N 3.45Å; T13-L15 PolarHBondContact O-N 3.18Å; L15-A18 PolarHBondContact O-N 3.14Å; L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.49Å
16G98.3Very high97.4Very high40 Ų4091 Ų9141%0.41251%0.507SS..Hα-helixtrans-60.8-43.9175.300000112.8L12 T13 I19 L20L12-G16 PolarHBondContact O-N 3.08Å; T13-G16 PolarHBondContact O-N 2.55Å; G16-I19 PolarHBondContact O-N 3.47Å; G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 PolarHBondContact O-N 2.96Å
17L98.2Very high97.4Very high101 Ų10193.9 Ų93.953%0.52951%0.511SS..Hα-helixtrans-64.2-39.8175.5-70.5171.3000112.4T13 L14 L20 A21T13-L17 HydrophobicContact CG2-CD1 4.17Å; T13-L17 WeakPolarHBondContact O-CG 3.39Å; T13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.28Å; L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 3.44Å
18A98.2Very high97.1Very high50 Ų5092.7 Ų92.741%0.41351%0.508SS..Hα-helixtrans-63.8-44175.900000112.1L14 L15 A21 I22L14-A18 WeakPolarHBondContact O-CB 3.46Å; L14-A18 PolarHBondContact O-N 3.22Å; L15-A18 PolarHBondContact O-N 3.14Å; A18-A21 PolarHBondContact O-N 3.47Å; A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.34Å; A18-I22 VanDerWaalsContact O-N 3.09Å
19I98.2Very high96.6Very high89 Ų8996.3 Ų96.346%0.45652%0.515SS..Hα-helixtrans-62.5-44.6175.2-67.2165.3000110.4L15 G16 A21 I22 L23L15-I19 HydrophobicContact CD1-CD1 4.29Å; L15-I19 HydrophobicContact CG-CD1 4.1Å; L15-I19 WeakPolarHBondContact O-CG1 3.45Å; L15-I19 PolarHBondContact O-N 3.49Å; G16-I19 PolarHBondContact O-N 3.47Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.04Å; I19-I22 PolarHBondContact O-N 3.07Å; I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.43Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.11Å
20L98Very high95.9Very high91 Ų9197 Ų9748%0.47652%0.515SS..Hα-helixtrans-60.4-41.2177.3-177.960000112.1G16 L17 L23 L24G16-L20 WeakPolarHBondContact O-CB 3.38Å; G16-L20 PolarHBondContact O-N 2.96Å; L17-L20 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 2.99Å; L20-L24 HydrophobicContact CD1-CD1 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.28Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.3Å
21A97.7Very high95.3Very high51 Ų5198.2 Ų98.242%0.42151%0.514SS..Hα-helixtrans-64.3-39175.500000112.8L17 A18 I19 T25L17-A21 WeakPolarHBondContact O-CB 3.31Å; L17-A21 PolarHBondContact O-N 3.44Å; A18-A21 PolarHBondContact O-N 3.47Å; I19-A21 VanDerWaalsContact C-N 3.34Å; I19-A21 PolarHBondContact O-N 3.04Å; A21-T25 WeakPolarHBondContact O-CB 3.37Å; A21-T25 WeakPolarHBondContact O-CG2 3.49Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.26Å
22I97.4Very high94.1Very high112 Ų11299.3 Ų99.357%0.57452%0.517SS*.Hα-helixtrans-65.4-41.3174.4-67.1164.4000110.8A18 I19 T25 R26A18-I22 WeakPolarHBondContact O-CG1 3.28Å; A18-I22 PolarHBondContact O-N 3.34Å; A18-I22 VanDerWaalsContact O-N 3.09Å; I19-I22 PolarHBondContact O-N 3.07Å; I22-T25 PolarHBondContact O-OG1 3.41Å; I22-T25 VanDerWaalsContact O-OG1 3.11Å; I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.35Å; I22-R26 PolarHBondContact O-N 3.07Å
23L97.3Very high92.8Very high101 Ų10196.3 Ų96.353%0.52951%0.506SS..Hα-helixtrans-66.8-44176.5-69.2174.1000112I19 L20 R26 W27I19-L23 HydrophobicContact CG2-CD1 4.04Å; I19-L23 HydrophobicContact CG2-CG 4.43Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.11Å; L20-L23 PolarHBondContact O-N 2.99Å; L23-R26 PolarHBondContact O-N 2.89Å; L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.29Å; L23-W27 PolarHBondContact O-N 3.48Å
24L96.9Very high91Very high96 Ų9697.9 Ų97.950%0.50351%0.507SS..Hα-helixtrans-63.3-43.7177.2-75.7169.2000112.3L20 W27 A28L20-L24 HydrophobicContact CD1-CD1 4.25Å; L20-L24 HydrophobicContact CD1-CG 4.28Å; L20-L24 HydrophobicContact CG-CD1 3.99Å; L20-L24 HydrophobicContact CG-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CB 3.4Å; L20-L24 VanDerWaalsContact O-CG 3.31Å; L20-L24 WeakPolarHBondContact O-CG 3.39Å; L20-L24 PolarHBondContact O-N 3.3Å; L24-W27 PolarHBondContact O-N 3.43Å; L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.21Å
25T95.3Very high89.1Confident87 Ų8799.1 Ų99.153%0.53451%0.511SS..Hα-helixtrans-68.7-35177.151.50000112.5A21 I22 R29A21-T25 WeakPolarHBondContact O-CB 3.37Å; A21-T25 WeakPolarHBondContact O-CG2 3.49Å; A21-T25 PolarHBondContact O-N 3.29Å; A21-T25 PolarHBondContact O-OG1 3.26Å; I22-T25 PolarHBondContact O-OG1 3.41Å; I22-T25 VanDerWaalsContact O-OG1 3.11Å; T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 PolarHBondContact O-N 3.4Å; T25-R29 VanDerWaalsContact O-N 3.15Å
26R95.1Very high86.9Confident189 Ų189102.7 Ų102.771%0.71352%0.519SS*.Hα-helixtrans-67.7-42.3171.7-173.3175.8179.7178-0.7112I22 L23 R29 C30I22-R26 VanDerWaalsContact O-CB 3.29Å; I22-R26 WeakPolarHBondContact O-CB 3.35Å; I22-R26 PolarHBondContact O-N 3.07Å; L23-R26 PolarHBondContact O-N 2.89Å; R26-R29 PolarHBondContact O-N 2.69Å; R26-C30 WeakPolarHBondContact O-CB 3.36Å; R26-C30 PolarHBondContact O-N 3.38Å
27W95.2Very high84.6Confident155 Ų155106.4 Ų106.459%0.58753%0.528SS*.Hα-helixtrans-64.9-45.8177.1177.383.7000112.1L23 L24 R29 C30 K31L23-W27 VanDerWaalsContact O-CB 3.28Å; L23-W27 WeakPolarHBondContact O-CB 3.29Å; L23-W27 PolarHBondContact O-N 3.48Å; L24-W27 PolarHBondContact O-N 3.43Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.42Å; W27-C30 WeakPolarHBondContact O-CB 3.34Å; W27-C30 PolarHBondContact O-N 2.95Å; W27-C30 VanDerWaalsContact O-N 3.13Å; W27-K31 HydrophobicContact CH2-CD 3.81Å; W27-K31 HydrophobicContact CZ2-CD 3.81Å; W27-K31 HydrophobicContact CZ3-CD 4.31Å; W27-K31 WeakPolarHBondContact O-CB 3.41Å; W27-K31 PolarHBondContact O-N 3.41Å
28A90.1Very high82.4Confident41 Ų41105.6 Ų105.634%0.33953%0.531SS..Hα-helixtrans-59.2-42.1175.800000111.8L24 Q32L24-A28 WeakPolarHBondContact O-CB 3.49Å; L24-A28 PolarHBondContact O-N 3.21Å; A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.19Å
29R87.5Confident80.2Confident184 Ų184111.6 Ų111.669%0.69454%0.543SS*.Hα-helixtrans-64.5-40.8174.1-167.5-174.5-58-177.62.4112.3T25 R26 W27 Q32 S33T25-R29 WeakPolarHBondContact O-CB 3.46Å; T25-R29 PolarHBondContact O-N 3.4Å; T25-R29 VanDerWaalsContact O-N 3.15Å; R26-R29 PolarHBondContact O-N 2.69Å; W27-R29 VanDerWaalsContact C-N 3.31Å; W27-R29 PolarHBondContact O-N 3.42Å; R29-Q32 PolarHBondContact O-N 3.07Å; R29-S33 PolarHBondContact O-N 2.99Å
30C82.9Confident77.5Confident66 Ų66115.6 Ų115.645%0.44655%0.554SS.*Hα-helixtrans-60.8-51.8176.1-161.20000111R26 W27 Q32 S33 E34R26-C30 WeakPolarHBondContact O-CB 3.36Å; R26-C30 PolarHBondContact O-N 3.38Å; W27-C30 WeakPolarHBondContact O-CB 3.34Å; W27-C30 PolarHBondContact O-N 2.95Å; W27-C30 VanDerWaalsContact O-N 3.13Å; C30-Q32 VanDerWaalsContact C-N 3.31Å; C30-Q32 PolarHBondContact O-N 2.62Å; C30-S33 WeakPolarHBondContact O-CA 3.45Å; C30-S33 WeakPolarHBondContact O-CB 3.39Å; C30-S33 PolarHBondContact O-N 3.14Å; C30-S33 PolarHBondContact O-OG 3.22Å; C30-E34 PolarHBondContact O-N 2.87Å
31K84.9Confident75Confident104 Ų104114.9 Ų114.945%0.45256%0.556SS.*Hα-helixtrans-61.9-35.1178.7-170.3170.5-175.8174.20113.2W27 M35W27-K31 HydrophobicContact CH2-CD 3.81Å; W27-K31 HydrophobicContact CZ2-CD 3.81Å; W27-K31 HydrophobicContact CZ3-CD 4.31Å; W27-K31 WeakPolarHBondContact O-CB 3.41Å; W27-K31 PolarHBondContact O-N 3.41Å; K31-M35 PolarHBondContact O-N 3.33Å
32Q71.9Confident72.8Confident119 Ų119115.5 Ų115.556%0.55656%0.558SS**Hα-helixtrans-66-42.4169.4-76.8177.2-12.400111.8A28 R29 C30 E34 M35 Y36A28-Q32 WeakPolarHBondContact O-CB 3.23Å; A28-Q32 WeakPolarHBondContact O-CG 3.35Å; A28-Q32 PolarHBondContact O-N 3.19Å; R29-Q32 PolarHBondContact O-N 3.07Å; C30-Q32 VanDerWaalsContact C-N 3.31Å; C30-Q32 PolarHBondContact O-N 2.62Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; Q32-M35 PolarHBondContact O-N 3.18Å; Q32-M35 VanDerWaalsContact O-N 3.17Å; Q32-Y36 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y36 PolarHBondContact O-N 3.3Å
33S70.3Confident70.3Confident52 Ų52115.1 Ų115.136%0.36455%0.553SS.*Hα-helixtrans-62.4-37179.972.40000112.9R29 C30 Y36 I37R29-S33 PolarHBondContact O-N 2.99Å; C30-S33 WeakPolarHBondContact O-CA 3.45Å; C30-S33 WeakPolarHBondContact O-CB 3.39Å; C30-S33 PolarHBondContact O-N 3.14Å; C30-S33 PolarHBondContact O-OG 3.22Å; S33-Y36 PolarHBondContact O-N 3.3Å; S33-I37 WeakPolarHBondContact O-CB 3.32Å; S33-I37 WeakPolarHBondContact O-CD1 3.38Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.45Å
34E62Low68.1Low120 Ų120116.6 Ų116.656%0.56156%0.557SS**Hα-helixtrans-57.5-50.6171.4-66172.8150.200111.2C30 Q32 Y36 I37 S38C30-E34 PolarHBondContact O-N 2.87Å; Q32-E34 VanDerWaalsContact C-N 3.32Å; Q32-E34 PolarHBondContact O-N 3.38Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.34Å; E34-I37 PolarHBondContact O-N 3.34Å; E34-S38 PolarHBondContact O-N 2.99Å; E34-S38 VanDerWaalsContact O-N 3.1Å; E34-S38 PolarHBondContact O-OG 3.12Å
35M58Low65.9Low134 Ų134116 Ų11666%0.6656%0.562SS**Hα-helixtrans-62.5-35.9178.9-67-176.269.800113.6K31 Q32K31-M35 PolarHBondContact O-N 3.33Å; Q32-M35 PolarHBondContact O-N 3.18Å; Q32-M35 VanDerWaalsContact O-N 3.17Å
36Y52.4Low63.6Low175 Ų175115.1 Ų115.169%0.68656%0.563SS**Hα-helixtrans-73.3-37.8177.2-89.4-81.4000112.5Q32 S33 E34 S38 R39 Y40Q32-Y36 WeakPolarHBondContact O-CD2 3.28Å; Q32-Y36 PolarHBondContact O-N 3.3Å; S33-Y36 PolarHBondContact O-N 3.3Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 PolarHBondContact O-N 3.34Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; Y36-R39 PolarHBondContact O-N 3.46Å; Y36-Y40 PolarHBondContact O-N 3.34Å
37I50Low61.4Low117 Ų117115.9 Ų115.960%0.657%0.566SS**Hα-helixtrans-63.3-41.2175.5-70.8164.5000110.7S33 E34 R39 Y40 S41S33-I37 WeakPolarHBondContact O-CB 3.32Å; S33-I37 WeakPolarHBondContact O-CD1 3.38Å; S33-I37 VanDerWaalsContact O-CG1 3.23Å; S33-I37 WeakPolarHBondContact O-CG1 3.46Å; S33-I37 PolarHBondContact O-N 3.45Å; E34-I37 PolarHBondContact O-N 3.34Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 2.96Å; I37-Y40 PolarHBondContact O-N 3.42Å; I37-S41 PolarHBondContact O-N 3.17Å; I37-S41 VanDerWaalsContact O-N 3.12Å
38S51.9Low59Low84 Ų84115.7 Ų115.759%0.58758%0.576SS**Hα-helixtrans-59.1-37.3176.2-58.40000113.4E34 Y36 S42E34-S38 PolarHBondContact O-N 2.99Å; E34-S38 VanDerWaalsContact O-N 3.1Å; E34-S38 PolarHBondContact O-OG 3.12Å; Y36-S38 VanDerWaalsContact C-N 3.35Å; S38-S42 PolarHBondContact O-N 3.2Å
39R50.6Low56.9Low176 Ų176121.1 Ų121.166%0.66460%0.598SS**Hα-helixtrans-68.9-48.9175-75.2-162.2176.1-150.20.9112.1Y36 I37 S41 S42 E43Y36-R39 PolarHBondContact O-N 3.46Å; I37-R39 VanDerWaalsContact C-N 3.31Å; I37-R39 PolarHBondContact O-N 2.96Å; R39-S41 PolarHBondContact O-N 3.1Å; R39-S42 PolarHBondContact O-N 3.07Å; R39-S42 PolarHBondContact O-OG 3.19Å; R39-E43 PolarHBondContact O-N 3.19Å
40Y41.5Very low54.9Low174 Ų174118.9 Ų118.968%0.68260%0.6SS**Hα-helixtrans-62.5-29-176.5-131.6-87.3000113.3Y36 I37Y36-Y40 PolarHBondContact O-N 3.34Å; I37-Y40 PolarHBondContact O-N 3.42Å
41S45.6Very low53.1Low75 Ų75124.6 Ų124.652%0.52461%0.613SS.*Hα-helixtrans-72-33.7172.2-168.60000113.2I37 R39 S45I37-S41 PolarHBondContact O-N 3.17Å; I37-S41 VanDerWaalsContact O-N 3.12Å; R39-S41 PolarHBondContact O-N 3.1Å; S41-S45 PolarHBondContact O-N 3.3Å; S41-S45 PolarHBondContact O-OG 3.39Å
42S51.1Low51.3Low65 Ų65129 Ų12946%0.45564%0.635SS.*Hα-helixtrans-71.1-39.2179.668.40000113.3S38 R39 Q44 S45 A46S38-S42 PolarHBondContact O-N 3.2Å; R39-S42 PolarHBondContact O-N 3.07Å; R39-S42 PolarHBondContact O-OG 3.19Å; S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.96Å; S42-S45 PolarHBondContact O-N 2.88Å; S42-A46 WeakPolarHBondContact O-CB 3.42Å; S42-A46 PolarHBondContact O-N 2.65Å
43E46.8Very low49.9Very low103 Ų103130.1 Ų130.148%0.48165%0.645SS.*Hα-helixtrans-72.7-22.6-177.6-67.8179-164.300113.6R39 R47R39-E43 PolarHBondContact O-N 3.19Å; E43-R47 WeakPolarHBondContact O-CD 3.05Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å
44Q50.8Low48.8Very low132 Ų132130.2 Ų130.262%0.61766%0.655SS**Hα-helixtrans-75.6-50.5169.4-74.4-72.3-14.500111.2S42 A46 R47 L48S42-Q44 VanDerWaalsContact C-N 3.33Å; S42-Q44 PolarHBondContact O-N 2.96Å; Q44-A46 VanDerWaalsContact C-N 3.29Å; Q44-A46 PolarHBondContact O-N 3.15Å; Q44-R47 PolarHBondContact O-N 2.95Å; Q44-L48 PolarHBondContact O-N 3.43Å
45S49.5Very low48Very low85 Ų85135.3 Ų135.359%0.59467%0.669SS**Hα-helixtrans-61.8-35.8-179.5-59.80000112.9S41 S42 R47S41-S45 PolarHBondContact O-N 3.3Å; S41-S45 PolarHBondContact O-OG 3.39Å; S42-S45 PolarHBondContact O-N 2.88Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.39Å
46A48.4Very low47.4Very low67 Ų67132.8 Ų132.855%0.55468%0.677SS**THydrogen-bonded Turntrans-71.5-17.4176.500000114.1S42 Q44S42-A46 WeakPolarHBondContact O-CB 3.42Å; S42-A46 PolarHBondContact O-N 2.65Å; Q44-A46 VanDerWaalsContact C-N 3.29Å; Q44-A46 PolarHBondContact O-N 3.15Å
47R47.7Very low46.5Very low205 Ų205130.5 Ų130.577%0.77469%0.687SS**THydrogen-bonded Turntrans-98.8-1.2-179.3-74.5-178.5176.6-1630.4114.3E43 Q44 S45E43-R47 WeakPolarHBondContact O-CD 3.05Å; E43-R47 VanDerWaalsContact O-CG 3.32Å; E43-R47 WeakPolarHBondContact O-CG 3.29Å; Q44-R47 PolarHBondContact O-N 2.95Å; S45-R47 VanDerWaalsContact C-N 3.28Å; S45-R47 PolarHBondContact O-N 3.39Å
48L45.4Very low46.2Very low152 Ų152135.6 Ų135.680%0.79670%0.698SS**SBendtrans-92.9-10.3-178.7-164.761.5000113.4Q44Q44-L48 PolarHBondContact O-N 3.43Å
49L45.2Very low45.9Very low154 Ų154140.4 Ų140.481%0.80671%0.711SS**SBendtrans-97.1-21.3-172.7-141.677.5000114.6
50D46.3Very low45.6Very low138 Ų138135.7 Ų135.774%0.73871%0.71SS**SBendtrans-10636.6-169.2-64.9-26.2000113.4
51Y45.1Very low45.5Very low186 Ų186137.8 Ų137.873%0.72972%0.718SS**  trans-139.148.8-179.9-138.2-82.6000115.5
52E47.5Very low45.2Very low196 Ų196142.4 Ų142.492%0.91673%0.731SS**  trans-119.667.3159.4-86.8-68148.700110
53D41.6Very low44.7Very low143 Ų143148 Ų14877%0.76575%0.747SS**SBendtrans-137.2140.2152.1-169.815.1000110.5R55D53-R55 PolarHBondContact O-N 2.95Å
54G47.1Very low44.5Very low54 Ų54148.4 Ų148.456%0.55776%0.757SS**  trans-91.997.9-161.400000114.4
55R46.3Very low44.2Very low226 Ų226148 Ų14885%0.85376%0.763SS**  trans-155.3129.4145.7-122.6148.5-77.8-144.12.8112.5D53D53-R55 PolarHBondContact O-N 2.95Å
56G43.7Very low43.5Very low82 Ų82149.2 Ų149.285%0.84576%0.763SS**  trans-91.1157-163.600000115.5
57S34.8Very low43.1Very low126 Ų126151.9 Ų151.988%0.88176%0.763SS**  trans-138.6158.8153.5-169.40000109.5
58R43.1Very low42.7Very low225 Ų225149.3 Ų149.385%0.84976%0.762SS**  trans-108.4147.3-176.5-63.7-178.7-178.2179.71111.4
59H45.1Very low42.7Very low185 Ų185148.3 Ų148.386%0.85676%0.756SS**  trans72.3155.3162.5-70.1-5.2000118.2
60A44.7Very low42.4Very low77 Ų77145.7 Ų145.764%0.63675%0.746SS**  trans61.8136-162.100000113
61Y39.3Very low42.1Very low218 Ų218146.4 Ų146.486%0.85575%0.745SS**SBendcis-13583.815.8-71.2-97.9000112.8
62H39.7Very low41.9Very low171 Ų171148.4 Ų148.479%0.79275%0.751SS**SBendtrans-125.953.9169.5-162.1-70.4000112.2
63K39.9Very low41.9Very low183 Ų183146.4 Ų146.480%0.79675%0.746SS**SBendtrans-143.6-0.9177-142.2-179.2-179.2-176.90116.5
64V44Very low42Very low112 Ų112144.3 Ų144.368%0.67974%0.742SS**SBendtrans-83.9-47.1-180-178.50000111.4L66 H67V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.85Å; V64-H67 PolarHBondContact O-N 3.31Å
65T43.1Very low41.6Very low124 Ų124151.9 Ų151.976%0.76176%0.76SS**THydrogen-bonded Turntrans-65.9-24-171.5-31.50000114.5
66L36.6Very low41Very low110 Ų110151.9 Ų151.958%0.57676%0.76SS**THydrogen-bonded Turntrans-87.2-17.6-177.3-103.5156.5000114.2V64 T70V64-L66 VanDerWaalsContact C-N 3.28Å; V64-L66 PolarHBondContact O-N 2.85Å; L66-T70 PolarHBondContact O-OG1 2.86Å
67H39Very low40.7Very low123 Ų123156 Ų15657%0.56976%0.762SS**Hα-helixtrans-78.6-21.2-175.8-150.6-74.1000113.7V64 E71V64-H67 PolarHBondContact O-N 3.31Å; H67-E71 IonicContact CE1-OE1 2.97Å
68M40Very low40.5Very low150 Ų150159.6 Ų159.674%0.73976%0.758SS**Hα-helixtrans-78.8-15.9-179.3-87.1-105.460.900114.6
69I45.1Very low40.3Very low131 Ų131155.1 Ų155.167%0.67276%0.756SS**Hα-helixtrans-98.3-35.9-174-61-179.7000111.4
70T39.3Very low39.8Very low99 Ų99151.5 Ų151.561%0.60775%0.749SS**Hα-helixtrans-75.5-32-174.6-41.80000113.9L66 R72 I73L66-T70 PolarHBondContact O-OG1 2.86Å; T70-R72 PolarHBondContact O-N 3.38Å; T70-R72 VanDerWaalsContact O-N 3.12Å; T70-I73 PolarHBondContact O-N 2.82Å
71E38.3Very low39.2Very low153 Ų153152.4 Ų152.472%0.71575%0.75SS**THydrogen-bonded Turntrans-67.6-13.2-174.9-73.2-155145.800115.2H67H67-E71 IonicContact CE1-OE1 2.97Å
72R41.4Very low38.8Very low228 Ų228147 Ų14786%0.8674%0.74SS**THydrogen-bonded Turntrans-79.1-13.1175.7-73.8-163.8178.8-160.61.3114.5T70T70-R72 PolarHBondContact O-N 3.38Å; T70-R72 VanDerWaalsContact O-N 3.12Å
73I47.1Very low38.4Very low155 Ų155145.8 Ų145.880%0.79574%0.739SS**SBendtrans-139.857.5-175-39.3179.7000112.5T70T70-I73 PolarHBondContact O-N 2.82Å
74S43.6Very low37.8Very low99 Ų99142.3 Ų142.369%0.69274%0.738SS**  trans-166.197.8142.6-166.80000112.9
75K38.6Very low37.2Very low213 Ų213145 Ų14593%0.92675%0.748SS**  trans-138.272.5152.1-75.5-165.9178178.90109.1
76R35.3Very low36.5Very low226 Ų226142.4 Ų142.485%0.85374%0.74SS**SBendtrans-119.1148.4153.6-84.6-173.7174.5145.80.2107.6Y78R76-Y78 PolarHBondContact O-N 2.96Å
77D36.3Very low36.2Very low167 Ų167144.8 Ų144.889%0.89375%0.752SS**  trans-69.8120.1-162.9-51.4-87.7000111.7
78Y30.6Very low35.7Very low202 Ų202143.4 Ų143.479%0.79276%0.756SS**  trans-140.7105.6168.2-164.3-95.1000109.9R76 P80R76-Y78 PolarHBondContact O-N 2.96Å; Y78-P80 HydrophobicContact CE1-CB 4.49Å; Y78-P80 WeakPolarHBondContact O-CD 2.93Å
79T39.1Very low35.3Very low131 Ų131147.5 Ų147.580%0.80476%0.763SS**  trans-93.4101.3174.732.70000109.8S81T79-S81 PolarHBondContact O-N 3.37Å
80P35.4Very low34.6Very low109 Ų109146.1 Ų146.171%0.70877%0.766SS**  trans-67122.1169.228.5-33.3000109.2Y78Y78-P80 HydrophobicContact CE1-CB 4.49Å; Y78-P80 WeakPolarHBondContact O-CD 2.93Å
81S30.6Very low34.1Very low96 Ų96146.4 Ų146.467%0.67177%0.771SS**  trans-81.1144.6-171.8-174.60000113.3T79T79-S81 PolarHBondContact O-N 3.37Å
82T30.8Very low33.8Very low105 Ų105146.9 Ų146.964%0.64478%0.777SS**  trans60.9116.5145.1450000122.1
83N32.4Very low33.2Very low145 Ų145140.4 Ų140.478%0.77577%0.773SS**  96.8154.7120.4-65.3-8.4000122.3
84S27.9Very low32.3Very low111 Ų111140 Ų14078%0.77677%0.771SS**  trans71.4138.6-177.673.40000115.4
85L30.1Very low32.2Very low167 Ų167140.6 Ų140.687%0.87477%0.773SS**  cis-164.2164.5-6.3-110.8174.5000106.6
86A29Very low31.7Very low71 Ų71138.7 Ų138.759%0.58777%0.767SS**  cis-160.8177.85.300000113
87L30.7Very low31.3Very low159 Ų159131.5 Ų131.583%0.83276%0.764SS**  trans70.4123146.1-72.6166.3000123.7
88S27.5Very low30.8Very low95 Ų95128.4 Ų128.466%0.66476%0.755SS**  trans81.9112.8136.2-67.70000123.2
89R32.7Very low30.6Very low235 Ų235126.7 Ų126.789%0.88776%0.756SS**  trans44.8133.6130.8-64.5178.9172.5-176.7-3.5119.2
90S28.8Very low30Very low103 Ų103125.6 Ų125.672%0.7275%0.754SS**  cis174.81571.141.60000108.3
91S30.3Very low29.7Very low104 Ų104125.4 Ų125.473%0.72776%0.755SS**  cis-173-148.1-11.755.40000108.2
92I31.2Very low29.9Very low163 Ų163128 Ų12884%0.83676%0.76SS**  trans83.2137.1168.8-62.3170.6000118.1
93A28.2Very low29.8Very low93 Ų93132.1 Ų132.177%0.76977%0.769SS**  trans70.384.6164.500000120.7
94L28.7Very low29.6Very low147 Ų147129.9 Ų129.977%0.7776%0.764SS**  trans-74.6161140.2-95.3167.1000109.5Q96L94-Q96 HydrophobicContact CD2-CG 4.44Å
95P41.4Very low29.5Very low111 Ų111131.6 Ų131.672%0.72176%0.763SS**  -117.5159.859.75.819.1000113.4
96Q29.1Very low29.4Very low172 Ų172131 Ų13180%0.80476%0.756SS**  55.7139.965.4-53.2179.6-21.500113.2L94L94-Q96 HydrophobicContact CD2-CG 4.44Å
97G25.4Very low29.1Very low76 Ų76132.9 Ų132.978%0.78476%0.76SS**  cis-161.7-145.6-4.200000106.9
98S26.3Very low28.8Very low102 Ų102130.6 Ų130.671%0.71375%0.753SS**  cis167.9123.70.9163.80000105.6
99M27.1Very low28.8Very low165 Ų165134.5 Ų134.581%0.81376%0.761SS**  trans66.4138.9162.9-57.4-172.483.200117.1
100S26.5Very low28.4Very low108 Ų108131.6 Ų131.676%0.75576%0.757SS**  68.9153.897.8970000115
101S29Very low29.8Very low105 Ų105130.8 Ų130.873%0.73475%0.75SS**  cis-143.916110.8-176.90000112.1
102I35Very low30.3Very low152 Ų152131.3 Ų131.378%0.77975%0.751SS**  trans-73.2143.9162-61.2162.9000109.6
103K28.9Very low30.1Very low190 Ų190128.1 Ų128.183%0.82674%0.742SS**  trans143.6152.6155.4-84160.8-177.1179.30109.9
104C26.8Very low30.3Very low98 Ų98135 Ų13566%0.66275%0.748SS**  cis-178.3-173.2-24.9-104.90000105.9
105L27.1Very low30.3Very low147 Ų147133.5 Ų133.577%0.7775%0.746SS**  trans77.9148.4164.5-46.1179.8000114.7
106Q27.3Very low29.7Very low156 Ų156133 Ų13373%0.72975%0.751SS**  cis-155.5170.5-3.4-126.9163.7-30.700114.5
107T24Very low29.8Very low110 Ų110128.9 Ų128.968%0.67576%0.755SS**  trans-32.7168.9158.151.60000118.5
108T23.6Very low30Very low110 Ų110129.9 Ų129.968%0.67576%0.756SS**  cis-178.5-175.9-17.5-72.40000106.3
109E27.1Very low30.1Very low178 Ų178134 Ų13483%0.83277%0.766SS**  trans86.7156.7166.4-64.6-58.9109.200119
110E25.5Very low30.4Very low174 Ų174133.2 Ų133.281%0.81376%0.762SS**  trans-127.3-129.8-154.2-164.3-136.1164.100115
111P57Low30.6Very low86 Ų86137.3 Ų137.356%0.55877%0.769SS**  -101.7-173.1-129.342.5-31.3000114.6
112P41.2Very low30.7Very low115 Ų115140.7 Ų140.775%0.74777%0.771SS**  -149.5129.496.536.6-18.3000118
113S27.7Very low30.4Very low95 Ų95140.3 Ų140.366%0.66478%0.776SS**  trans54.1135.6131.775.90000124.8
114R31.3Very low30.5Very low237 Ų237135.2 Ų135.289%0.89477%0.769SS**  trans72154.2140.4-77.9-179.3176.7-173.9-0.9118.3
115T28.9Very low31.2Very low117 Ų117136.3 Ų136.372%0.71878%0.775SS**  cis-150.7152.92.2-120.30000112.9
116A28.5Very low31.4Very low101 Ų101137.5 Ų137.584%0.83578%0.78SS**  trans19.5139.7161.500000123.2
117G30.8Very low31.7Very low85 Ų85137.8 Ų137.888%0.87678%0.782SS**  trans-176.462.1167.500000112.9
118A31.2Very low32.2Very low97 Ų97138.9 Ų138.980%0.80279%0.791SS**  trans-101.7136.5-173.500000113.2
119M28.5Very low32.6Very low189 Ų189141.6 Ų141.693%0.93180%0.796SS**  trans-132.3125.2154.1-80-169.668.700109.5
120M31.6Very low33.1Very low147 Ų147140.6 Ų140.672%0.72480%0.795SS**  trans-88.8144.8174.2-61.8155.659.600109.8F122M120-F122 HydrophobicContact CE-CD2 4.35Å; M120-F122 HydrophobicContact CE-CE2 3.74Å
121Q32.3Very low33.9Very low194 Ų194141.4 Ų141.491%0.90780%0.799SS**  trans-139147134-75-150.714.800110
122F29.5Very low32.9Very low177 Ų177143.2 Ų143.278%0.77680%0.804SS**  trans-86.1145.4179.1-89.8-114.1000110.8M120M120-F122 HydrophobicContact CE-CD2 4.35Å; M120-F122 HydrophobicContact CE-CE2 3.74Å
123T29.7Very low32.8Very low143 Ų143144.5 Ų144.588%0.87780%0.804SS**  176.2150120.6-72.20000109.3
124A31.9Very low33.6Very low84 Ų84144.2 Ų144.269%0.69480%0.802SS**  trans-132.9-174.9-178.600000109.9
125P41.3Very low34.2Very low120 Ų120135.9 Ų135.978%0.77978%0.78SS**  -127.9152.5-64.336.1-23.7000112.5
126I29.8Very low35Very low172 Ų172134 Ų13488%0.88277%0.771SS**  trans-135.7144.3165.7-60.1-176.9000110
127Q33.7Very low35.7Very low163 Ų163135.4 Ų135.476%0.76276%0.764SS**  trans-84.1161.1-172.3-56.5165.4-77.200113.9
128P34.2Very low36.5Very low133 Ų133138.3 Ų138.386%0.86475%0.753SS**  trans-121.8105.5148.734.1-21.1000111.6
129E33.5Very low37.4Very low167 Ų167141.5 Ų141.578%0.7875%0.748SS**  trans-126.398.6172-177.3175.3-155.900110.3
130L36.8Very low38.4Very low156 Ų156136 Ų13682%0.81773%0.727SS**  trans-162.861.2173.9-127.2172.3000113.8
131Q41.9Very low39.2Very low192 Ų192134.6 Ų134.690%0.89772%0.722SS**  trans-131.2-13.6173-68.9-163.85.400116.6
132D36.9Very low40Very low124 Ų124129 Ų12966%0.66370%0.703SS**THydrogen-bonded Turntrans-104.633.9-168.9-155.36.4000116.5S135D132-S135 VanDerWaalsContact OD1-CB 3.31Å; D132-S135 WeakPolarHBondContact OD1-CB 3.32Å; D132-S135 PolarHBondContact OD1-OG 3.13Å
133L38.7Very low41.1Very low142 Ų142127.5 Ų127.574%0.74370%0.696SS**THydrogen-bonded Turntrans-88.9-15.8170.2-103.873.5000114.1
134S44.9Very low42.4Very low88 Ų88126.5 Ų126.562%0.61569%0.685SS**THydrogen-bonded Turntrans-75.9-23-175.7-171.70000113.9
135S43.3Very low43.9Very low63 Ų63129 Ų12944%0.44168%0.682SS.*THydrogen-bonded Turntrans-80.8-35.7-175.461.80000113.2D132D132-S135 VanDerWaalsContact OD1-CB 3.31Å; D132-S135 WeakPolarHBondContact OD1-CB 3.32Å; D132-S135 PolarHBondContact OD1-OG 3.13Å
136S45.7Very low44.7Very low76 Ų76128.6 Ų128.653%0.53167%0.673SS.*THydrogen-bonded Turntrans-76.6-44.8-168.7-167.20000113.7K138 K139S136-K138 VanDerWaalsContact C-N 3.28Å; S136-K138 PolarHBondContact O-N 3.32Å; S136-K138 VanDerWaalsContact O-N 3.16Å; S136-K139 PolarHBondContact O-N 3.07Å
137L44.3Very low46.3Very low131 Ų131126.2 Ų126.269%0.68666%0.662SS**THydrogen-bonded Turntrans-69.4-13.8-171-106.371000115.8K139 P140L137-K139 PolarHBondContact O-N 2.93Å; L137-P140 WeakPolarHBondContact O-CD 3.41Å; L137-P140 WeakPolarHBondContact O-CG 3.25Å
138K46.8Very low48Very low146 Ų146123 Ų12364%0.63565%0.649SS**Hα-helixtrans-72.3-27.2-180-71.6174.3-179.1165.80113.4S136S136-K138 VanDerWaalsContact C-N 3.28Å; S136-K138 PolarHBondContact O-N 3.32Å; S136-K138 VanDerWaalsContact O-N 3.16Å
139K49.8Very low49.5Very low164 Ų164124 Ų12471%0.71364%0.637SS**Hα-helixtrans-72.2-41.4-177.2-65175.3-175.8170.90114.7S136 L137S136-K139 PolarHBondContact O-N 3.07Å; L137-K139 PolarHBondContact O-N 2.93Å
140P50.3Low51Low73 Ų73120.9 Ų120.947%0.47463%0.626SS.*Hα-helixtrans-70.3-31.9173.824.9-34.4000113.4L137 C142 K143 L144L137-P140 WeakPolarHBondContact O-CD 3.41Å; L137-P140 WeakPolarHBondContact O-CG 3.25Å; P140-C142 PolarHBondContact O-N 3.37Å; P140-K143 PolarHBondContact O-N 3.32Å; P140-L144 PolarHBondContact O-N 3.38Å; P140-L144 VanDerWaalsContact O-N 3.15Å
141L47.4Very low52.5Low119 Ų119120.7 Ų120.762%0.62361%0.614SS**Hα-helixtrans-63.4-46.2-173.6-164.176.2000112.6K143 L144 Q145L141-K143 PolarHBondContact O-N 2.95Å; L141-L144 PolarHBondContact O-N 3.04Å; L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.13Å
142C50.2Low53.6Low75 Ų75115.1 Ų115.151%0.50759%0.59SS.*Hα-helixtrans-60.7-43.2177.7-56.60000112P140 L144 Q145 D146P140-C142 PolarHBondContact O-N 3.37Å; C142-L144 VanDerWaalsContact C-N 3.28Å; C142-L144 PolarHBondContact O-N 3.48Å; C142-Q145 PolarHBondContact O-N 2.94Å; C142-Q145 VanDerWaalsContact O-N 3.08Å; C142-D146 PolarHBondContact O-N 3.09Å
143K52.9Low54.8Low147 Ų147113.1 Ų113.164%0.63958%0.577SS**Hα-helixtrans-60.9-37178.2-69.7-174.4174.1-173.40112.6P140 L141 Q145 L147P140-K143 PolarHBondContact O-N 3.32Å; L141-K143 PolarHBondContact O-N 2.95Å; K143-Q145 VanDerWaalsContact C-N 3.34Å; K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 WeakPolarHBondContact O-CD1 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.23Å; K143-L147 WeakPolarHBondContact O-CG 3.35Å; K143-L147 PolarHBondContact O-N 3.21Å
144L56Low55.4Low122 Ų122109.5 Ų109.564%0.63956%0.562SS**Hα-helixtrans-67.7-36.7176.5-126.7152.5000111.4P140 L141 C142 L148P140-L144 PolarHBondContact O-N 3.38Å; P140-L144 VanDerWaalsContact O-N 3.15Å; L141-L144 PolarHBondContact O-N 3.04Å; C142-L144 VanDerWaalsContact C-N 3.28Å; C142-L144 PolarHBondContact O-N 3.48Å; L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.82Å
145Q63Low55.8Low137 Ų137110.2 Ų110.264%0.6456%0.556SS**Hα-helixtrans-72.6-40.1176.5-165.5162.312.600112.7L141 C142 K143 L148 Y149L141-Q145 PolarHBondContact O-N 3.37Å; L141-Q145 VanDerWaalsContact O-N 3.13Å; C142-Q145 PolarHBondContact O-N 2.94Å; C142-Q145 VanDerWaalsContact O-N 3.08Å; K143-Q145 VanDerWaalsContact C-N 3.34Å; Q145-L148 PolarHBondContact O-N 3.35Å; Q145-Y149 WeakPolarHBondContact O-CB 3.32Å; Q145-Y149 PolarHBondContact O-N 3.11Å
146D58.4Low56.2Low110 Ų110111.3 Ų111.359%0.58856%0.556SS**Hα-helixtrans-63.9-42.9173.4-68.6-35.2000111.6C142 Y149 N150C142-D146 PolarHBondContact O-N 3.09Å; D146-Y149 PolarHBondContact O-N 2.98Å; D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 3.32Å
147L64.4Low56.3Low122 Ų122110.4 Ų110.464%0.63955%0.553SS**Hα-helixtrans-63.2-43.4175.3-77.4168.5000111.9K143 N150 W151K143-L147 WeakPolarHBondContact O-CB 3.46Å; K143-L147 WeakPolarHBondContact O-CD1 3.33Å; K143-L147 VanDerWaalsContact O-CG 3.23Å; K143-L147 WeakPolarHBondContact O-CG 3.35Å; K143-L147 PolarHBondContact O-N 3.21Å; L147-N150 PolarHBondContact O-N 3.41Å; L147-W151 VanDerWaalsContact O-CB 3.29Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.31Å
148L68.8Low56.4Low95 Ų95107.3 Ų107.350%0.49754%0.542SS..Hα-helixtrans-64.6-42.4177.1-174.666.2000111.6L144 Q145 W151 I152L144-L148 WeakPolarHBondContact O-CB 3.27Å; L144-L148 PolarHBondContact O-N 2.82Å; Q145-L148 PolarHBondContact O-N 3.35Å; L148-W151 HydrophobicContact CD1-CE3 4.12Å; L148-W151 PolarHBondContact O-N 3.42Å; L148-I152 HydrophobicContact CD1-CD1 4.4Å; L148-I152 HydrophobicContact CG-CD1 4.11Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3Å
149Y65.4Low56.1Low155 Ų155104.6 Ų104.661%0.60854%0.542SS*.Hα-helixtrans-63.1-45176.2-175.5-103.5000111.7Q145 D146 I152 Q153Q145-Y149 WeakPolarHBondContact O-CB 3.32Å; Q145-Y149 PolarHBondContact O-N 3.11Å; D146-Y149 PolarHBondContact O-N 2.98Å; Y149-I152 PolarHBondContact O-N 3.48Å; Y149-Q153 HydrophobicContact CD1-CG 4.45Å; Y149-Q153 HydrophobicContact CE1-CG 4.15Å; Y149-Q153 VanDerWaalsContact O-CG 3.32Å; Y149-Q153 WeakPolarHBondContact O-CG 3.29Å; Y149-Q153 PolarHBondContact O-N 2.94Å; Y149-Q153 PolarHBondContact OH-NE2 2.99Å
150N65.6Low55.7Low101 Ų101103.8 Ų103.854%0.5454%0.54SS..Hα-helixtrans-65.9-42.2178.3-158-28.1000111.5D146 L147 I152 Q153 C154D146-N150 VanDerWaalsContact O-CB 3.3Å; D146-N150 WeakPolarHBondContact O-CB 3.4Å; D146-N150 PolarHBondContact O-N 3.32Å; L147-N150 PolarHBondContact O-N 3.41Å; N150-I152 PolarHBondContact O-N 3.42Å; N150-Q153 PolarHBondContact O-N 2.94Å; N150-C154 PolarHBondContact O-N 2.93Å; N150-C154 PolarHBondContact O-SG 3Å; N150-C154 VanDerWaalsContact O-SG 3.39Å
151W67.6Low55.2Low152 Ų152106.5 Ų106.558%0.57655%0.551SS**Hα-helixtrans-59.8-43.4174.6-179.373.1000112.8L147 L148 C154 Q155L147-W151 VanDerWaalsContact O-CB 3.29Å; L147-W151 WeakPolarHBondContact O-CB 3.39Å; L147-W151 PolarHBondContact O-N 3.31Å; L148-W151 HydrophobicContact CD1-CE3 4.12Å; L148-W151 PolarHBondContact O-N 3.42Å; W151-C154 PolarHBondContact O-N 2.97Å; W151-Q155 HydrophobicContact CZ2-CG 4.47Å; W151-Q155 WeakPolarHBondContact O-CG 3.39Å; W151-Q155 PolarHBondContact O-N 2.94Å
152I65.6Low54.4Low76 Ų76108.4 Ų108.439%0.3956%0.556SS.*Hα-helixtrans-62.3-43.4175.4-70.6166.4000111L148 Y149 N150 Q155 I156L148-I152 HydrophobicContact CD1-CD1 4.4Å; L148-I152 HydrophobicContact CG-CD1 4.11Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3Å; Y149-I152 PolarHBondContact O-N 3.48Å; N150-I152 PolarHBondContact O-N 3.42Å; I152-Q155 PolarHBondContact O-N 3.01Å; I152-I156 HydrophobicContact CG2-CD1 3.93Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 3.37Å; I152-I156 VanDerWaalsContact O-N 3.08Å
153Q61.4Low53.4Low82 Ų82111.3 Ų111.338%0.38357%0.572SS.*Hα-helixtrans-65.9-39.2177-65.8-69.75.600112.2Y149 N150 Q155 I156 A157Y149-Q153 HydrophobicContact CD1-CG 4.45Å; Y149-Q153 HydrophobicContact CE1-CG 4.15Å; Y149-Q153 VanDerWaalsContact O-CG 3.32Å; Y149-Q153 WeakPolarHBondContact O-CG 3.29Å; Y149-Q153 PolarHBondContact O-N 2.94Å; Y149-Q153 PolarHBondContact OH-NE2 2.99Å; N150-Q153 PolarHBondContact O-N 2.94Å; Q153-Q155 PolarHBondContact O-N 3.42Å; Q153-I156 PolarHBondContact O-N 3.3Å; Q153-A157 WeakPolarHBondContact O-CB 3.4Å; Q153-A157 PolarHBondContact O-N 2.94Å
154C52.3Low52.4Low65 Ų65110.4 Ų110.444%0.43958%0.578SS.*Hα-helixtrans-60.7-41.7173.2-74.80000112.4N150 W151 A157 S158N150-C154 PolarHBondContact O-N 2.93Å; N150-C154 PolarHBondContact O-SG 3Å; N150-C154 VanDerWaalsContact O-SG 3.39Å; W151-C154 PolarHBondContact O-N 2.97Å; C154-A157 PolarHBondContact O-N 3.35Å; C154-S158 PolarHBondContact O-N 3.47Å; C154-S158 PolarHBondContact O-OG 3.39Å
155Q51.9Low51Low103 Ų103112.7 Ų112.748%0.48159%0.585SS.*Hα-helixtrans-66-39.9176.6-68.3-74.141.800112.3W151 I152 Q153 A157 S158 S159W151-Q155 HydrophobicContact CZ2-CG 4.47Å; W151-Q155 WeakPolarHBondContact O-CG 3.39Å; W151-Q155 PolarHBondContact O-N 2.94Å; I152-Q155 PolarHBondContact O-N 3.01Å; Q153-Q155 PolarHBondContact O-N 3.42Å; Q155-A157 VanDerWaalsContact C-N 3.31Å; Q155-A157 PolarHBondContact O-N 3.46Å; Q155-S158 PolarHBondContact O-N 2.82Å; Q155-S159 WeakPolarHBondContact O-CB 3.3Å; Q155-S159 PolarHBondContact O-N 2.9Å
156I52.8Low49.7Very low87 Ų87112.5 Ų112.545%0.44659%0.588SS.*Hα-helixtrans-63.9-37.5174.8-66.6165.8000111I152 Q153 H160I152-I156 HydrophobicContact CG2-CD1 3.93Å; I152-I156 WeakPolarHBondContact O-CG1 3.37Å; I152-I156 PolarHBondContact O-N 3.37Å; I152-I156 VanDerWaalsContact O-N 3.08Å; Q153-I156 PolarHBondContact O-N 3.3Å; I156-H160 PolarHBondContact O-ND1 2.94Å
157A46.8Very low48.3Very low57 Ų57114.7 Ų114.747%0.47160%0.595SS.*Hα-helixtrans-70.1-42175.900000113.2Q153 C154 Q155 H160 N161Q153-A157 WeakPolarHBondContact O-CB 3.4Å; Q153-A157 PolarHBondContact O-N 2.94Å; C154-A157 PolarHBondContact O-N 3.35Å; Q155-A157 VanDerWaalsContact C-N 3.31Å; Q155-A157 PolarHBondContact O-N 3.46Å; A157-H160 PolarHBondContact O-N 3.32Å; A157-N161 PolarHBondContact O-ND2 3.2Å
158S47.1Very low46.7Very low65 Ų65116.6 Ų116.646%0.45560%0.6SS.*Hα-helixtrans-62.3-40.7175.4-67.90000112.1C154 Q155 H160 N161C154-S158 PolarHBondContact O-N 3.47Å; C154-S158 PolarHBondContact O-OG 3.39Å; Q155-S158 PolarHBondContact O-N 2.82Å; S158-H160 PolarHBondContact O-N 2.94Å; S158-N161 PolarHBondContact O-N 3.44Å
159S40.4Very low45.2Very low90 Ų90118.2 Ų118.263%0.62962%0.616SS**THydrogen-bonded Turntrans-61-9.7179.3-171.90000114.8Q155Q155-S159 WeakPolarHBondContact O-CB 3.3Å; Q155-S159 PolarHBondContact O-N 2.9Å
160H42Very low43.5Very low147 Ų147114 Ų11468%0.68162%0.62SS**THydrogen-bonded Turntrans-103.71.7177.9-71.885.5000114.1I156 A157 S158I156-H160 PolarHBondContact O-ND1 2.94Å; A157-H160 PolarHBondContact O-N 3.32Å; S158-H160 PolarHBondContact O-N 2.94Å
161N39.6Very low42.3Very low129 Ų129115.2 Ų115.269%0.6963%0.633SS**  trans-13773.3-174.7-69.7-80.9000113.3A157 S158A157-N161 PolarHBondContact O-ND2 3.2Å; S158-N161 PolarHBondContact O-N 3.44Å
162H29.8Very low40.9Very low160 Ų160114.1 Ų114.174%0.74165%0.646SS**  trans-117.373.1169-79.6-63.3000112.6
163T29.9Very low39.5Very low136 Ų136119.4 Ų119.483%0.83467%0.671SS**  trans-134.689.9154.3-560000108.2H165T163-H165 PolarHBondContact O-N 3.39Å
164V31.2Very low38.2Very low128 Ų128119.9 Ų119.978%0.77669%0.689SS**  trans-86.6108.1172178.90000108.3L166V164-L166 HydrophobicContact CG1-CD1 4.33Å
165H28.2Very low37.4Very low170 Ų170122.4 Ų122.479%0.78771%0.705SS**  trans-123.2126.5159.1-157.9-68.3000107.9T163T163-H165 PolarHBondContact O-N 3.39Å
166L34.8Very low36.7Very low133 Ų133124.7 Ų124.770%0.69672%0.719SS**  trans-74.5135.2174-67.583.5000108.5V164V164-L166 HydrophobicContact CG1-CD1 4.33Å
167Q29.9Very low35.9Very low156 Ų156128 Ų12873%0.72974%0.736SS**  169.6125.2113.3-92.4-176.3-70.400113.9
168H29.5Very low35.4Very low161 Ų161132.2 Ų132.275%0.74575%0.749SS**  trans63.6154.6153.8-56.5-56.4000120.5
169P37.8Very low34.5Very low129 Ų129133.7 Ų133.784%0.83876%0.759SS**  trans-102.4149.4-164.738.3-33.1000115
170G29.6Very low34.2Very low67 Ų67138.2 Ų138.269%0.69177%0.77SS**  trans-150.4156.4168.300000111.5
171P40.2Very low33.8Very low126 Ų126142.1 Ų142.182%0.81878%0.779SS**PPolyproline II helixtrans-73.3156.6-173.629.8-35.2000113.5
172P39.3Very low33.5Very low130 Ų130142.4 Ų142.484%0.84479%0.785SS**PPolyproline II helixtrans-81.5136.6-16431.3-36.1000114.6
173M34.3Very low33.5Very low187 Ų187139 Ų13992%0.92179%0.785SS**PPolyproline II helixtrans-95.8149.3155.7-86.8-174-83.800110.6
174A34.7Very low33.9Very low91 Ų91138 Ų13875%0.75278%0.784SS**PPolyproline II helixtrans-72.6143.2-175.400000112.7I176A174-I176 PolarHBondContact O-N 2.95Å
175P36.3Very low34.1Very low119 Ų119140.1 Ų140.177%0.77379%0.785SS**PPolyproline II helixtrans-74.3120-178.229.1-34.2000112.2I177P175-I177 PolarHBondContact O-N 3.32Å
176I36.2Very low34.4Very low151 Ų151139.5 Ų139.577%0.77479%0.787SS**  trans-76.7112.8168.4-61.1176.2000108.4A174 I178A174-I176 PolarHBondContact O-N 2.95Å; I176-I178 HydrophobicContact CG2-CG1 4.32Å; I176-I178 PolarHBondContact O-N 3Å
177I36.2Very low34.8Very low157 Ų157138.6 Ų138.681%0.80580%0.799SS**  trans-77.894179.7-56.2176.7000109.7P175 S179P175-I177 PolarHBondContact O-N 3.32Å; I177-S179 PolarHBondContact O-N 3.35Å
178I37.4Very low35.1Very low145 Ų145135 Ų13574%0.74480%0.796SS**  trans-78.4107.7168.3-58.3-179.9000108.4I176 Q180I176-I178 HydrophobicContact CG2-CG1 4.32Å; I176-I178 PolarHBondContact O-N 3Å; I178-Q180 PolarHBondContact O-N 3.4Å
179S28Very low35.4Very low96 Ų96133.3 Ų133.367%0.67180%0.799SS**  trans-71108.3179.6-174.70000111I177 R181I177-S179 PolarHBondContact O-N 3.35Å; S179-R181 PolarHBondContact O-N 2.92Å
180Q33.2Very low35.4Very low185 Ų185134.9 Ų134.986%0.86480%0.798SS**  trans-70109.7172.1-69.9-163.556.500110.4I178I178-Q180 PolarHBondContact O-N 3.4Å
181R33.3Very low35.8Very low228 Ų228143 Ų14386%0.8681%0.808SS**  trans-90.9105.4165.4-80.1-177.7170.3154-2.5109.6S179 A183S179-R181 PolarHBondContact O-N 2.92Å; R181-A183 PolarHBondContact O-N 3.41Å; R181-A183 VanDerWaalsContact O-N 3.07Å
182T33.9Very low36Very low135 Ų135143.6 Ų143.683%0.82880%0.803SS**  trans-64.5106168.1-48.50000109.5
183A30.3Very low35.9Very low88 Ų88142.6 Ų142.673%0.72780%0.797SS**  trans-121.897.7176.400000109.4R181 Q185R181-A183 PolarHBondContact O-N 3.41Å; R181-A183 VanDerWaalsContact O-N 3.07Å; A183-Q185 PolarHBondContact O-N 3.3Å; A183-Q185 VanDerWaalsContact O-N 3.11Å
184S38.2Very low36.1Very low116 Ų116140.3 Ų140.381%0.81178%0.784SS**  trans-72101.9179.7-56.60000111.2
185Q35.4Very low36.3Very low172 Ų172142 Ų14280%0.80479%0.785SS**  trans-135.5137159-70.6-159.330.100111.2A183A183-Q185 PolarHBondContact O-N 3.3Å; A183-Q185 VanDerWaalsContact O-N 3.11Å
186L34.9Very low36.6Very low158 Ų158142.5 Ų142.583%0.82778%0.776SS**  trans29121.9155-70.3144.5000118.7A188L186-A188 PolarHBondContact O-N 2.99Å
187A42.1Very low37Very low114 Ų114141.5 Ų141.594%0.94278%0.777SS**  trans-58.2105177.900000113
188A35.8Very low37.2Very low81 Ų81141.4 Ų141.467%0.66978%0.775SS**  trans-101.3141.2162.200000109.3L186 I190L186-A188 PolarHBondContact O-N 2.99Å; A188-I190 PolarHBondContact O-N 3.42Å
189P36.1Very low37.6Very low124 Ų124138 Ų13881%0.80576%0.758SS**  trans-65.3134.5177.826.9-33.9000110.9R191P189-R191 PolarHBondContact O-N 3.46Å
190I38.3Very low38.7Very low162 Ų162140 Ų14083%0.83177%0.773SS**  trans-65.8107.8-179.1-60.8174.7000109.3A188 I192A188-I190 PolarHBondContact O-N 3.42Å; I190-I192 PolarHBondContact O-N 2.92Å
191R37.1Very low40.1Very low238 Ų238134.8 Ų134.890%0.89876%0.756SS**  trans-86.592.8178.2-153.8-179.3-161.9-172.85.4109.5P189P189-R191 PolarHBondContact O-N 3.46Å
192I44.3Very low41Very low138 Ų138126.3 Ų126.371%0.70874%0.74SS**PPolyproline II helixtrans-59.2131.5171.9-55.9176.6000108.3I190I190-I192 PolarHBondContact O-N 2.92Å
193P37.3Very low41.5Very low110 Ų110127.3 Ų127.371%0.71473%0.733SS**PPolyproline II helixtrans-65136.7177.126.8-34.2000110.8V195P193-V195 PolarHBondContact O-N 2.87Å
194Q38.7Very low42.3Very low138 Ų138129.3 Ų129.365%0.64573%0.73SS**PPolyproline II helixtrans-71.5120.8178.5-68.4-177.9-83.100110.6H196Q194-H196 PolarHBondContact O-N 2.78Å
195V40.1Very low42.3Very low128 Ų128129.8 Ų129.878%0.77673%0.729SS**  trans-84105.8166.7-179.80000107.9P193 T197P193-V195 PolarHBondContact O-N 2.87Å; V195-T197 HydrophobicContact CG1-CG2 4.3Å; V195-T197 PolarHBondContact O-N 3.36Å
196H42.7Very low42.7Very low129 Ų129128.1 Ų128.160%0.59773%0.725SS**  trans-83.794.4174-64.2-77.4000110.1Q194 M198Q194-H196 PolarHBondContact O-N 2.78Å; H196-M198 PolarHBondContact O-N 2.6Å
197T44.2Very low42.9Very low129 Ų129126.3 Ų126.379%0.79172%0.72SS**  trans-76.398.5165.552.10000108.9V195V195-T197 HydrophobicContact CG1-CG2 4.3Å; V195-T197 PolarHBondContact O-N 3.36Å
198M38.8Very low42.9Very low156 Ų156126.3 Ų126.377%0.76871%0.711SS**  trans-79.3127.1175.2-170.6147.566.900110.2H196H196-M198 PolarHBondContact O-N 2.6Å
199D47.8Very low43Very low72 Ų72128.7 Ų128.739%0.38572%0.716SS.*  trans-81.9162.4171.883.3-46000110.8S201 G202 K203D199-S201 PolarHBondContact O-N 3.21Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 PolarHBondContact OD1-OG 3.18Å; D199-S201 WeakPolarHBondContact OD2-CB 3.23Å; D199-S201 PolarHBondContact OD2-N 3.06Å; D199-S201 PolarHBondContact OD2-OG 3.21Å; D199-G202 PolarHBondContact O-N 3.08Å; D199-G202 PolarHBondContact OD1-N 3.45Å; D199-K203 PolarHBondContact OD1-N 3.32Å
200S50.1Low43.4Very low140 Ų140128.1 Ų128.198%0.97971%0.711SS**THydrogen-bonded Turntrans-73.12.3179.548.90000114.4
201S62.1Low43.5Very low74 Ų74127.2 Ų127.252%0.51771%0.706SS.*THydrogen-bonded Turntrans-96.1-6.7169.486.90000114.3D199D199-S201 PolarHBondContact O-N 3.21Å; D199-S201 VanDerWaalsContact O-N 3.14Å; D199-S201 PolarHBondContact OD1-OG 3.18Å; D199-S201 WeakPolarHBondContact OD2-CB 3.23Å; D199-S201 PolarHBondContact OD2-N 3.06Å; D199-S201 PolarHBondContact OD2-OG 3.21Å
202G52.2Low43.4Very low51 Ų51123.2 Ų123.253%0.52670%0.702SS.*  trans73.225.4176.200000114.4D199D199-G202 PolarHBondContact O-N 3.08Å; D199-G202 PolarHBondContact OD1-N 3.45Å
203K45.9Very low43.4Very low156 Ų156122.8 Ų122.868%0.67871%0.705SS**  trans-105.4108.7-177.8-73.4-177.3179.4176.10111.2D199 T205D199-K203 PolarHBondContact OD1-N 3.32Å; K203-T205 PolarHBondContact O-N 3.01Å
204I46.9Very low43.3Very low129 Ų129121 Ų12166%0.66271%0.708SS**  trans-74.192177.4-51.5176.5000110L206I204-L206 PolarHBondContact O-N 3.33Å; I204-L206 VanDerWaalsContact O-N 3.1Å
205T38.4Very low43Very low127 Ų127123 Ų12378%0.77971%0.71SS**  trans-7296.1168.820.60000110.5K203 T207K203-T205 PolarHBondContact O-N 3.01Å; T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.1Å
206L42.3Very low42.7Very low137 Ų137125.7 Ų125.772%0.71772%0.717SS**  trans-66.8104.2168.4-80.9166.3000110.2I204I204-L206 PolarHBondContact O-N 3.33Å; I204-L206 VanDerWaalsContact O-N 3.1Å
207T38.9Very low42.3Very low119 Ų119125.4 Ų125.473%0.7372%0.719SS**  trans-66.6135.8165.842.80000109.9T205T205-T207 PolarHBondContact O-N 3.48Å; T205-T207 VanDerWaalsContact O-N 3.1Å
208P43Very low42.2Very low115 Ų115128.3 Ų128.375%0.74772%0.724SS**  trans-68.6142.1-179.527.9-34.3000111.2V210P208-V210 PolarHBondContact O-N 3.34Å; P208-V210 VanDerWaalsContact O-N 3.1Å
209V37.9Very low42.4Very low130 Ų130129.1 Ų129.179%0.78873%0.726SS**  trans-71.2104.9-179.61800000110.1I211V209-I211 HydrophobicContact CG1-CG1 4.09Å; V209-I211 PolarHBondContact O-N 3.16Å
210V43.8Very low42.1Very low113 Ų113133.4 Ų133.469%0.68575%0.748SS**  trans-81.3106169.1-176.20000108.8P208 L212P208-V210 PolarHBondContact O-N 3.34Å; P208-V210 VanDerWaalsContact O-N 3.1Å; V210-L212 HydrophobicContact CG1-CD2 3.88Å; V210-L212 HydrophobicContact CG1-CG 4.09Å; V210-L212 PolarHBondContact O-N 2.86Å
211I41.4Very low41.4Very low143 Ų143131.7 Ų131.773%0.73374%0.742SS**  trans-80.195.9172.2-56.9179.2000108.1V209 T213V209-I211 HydrophobicContact CG1-CG1 4.09Å; V209-I211 PolarHBondContact O-N 3.16Å; I211-T213 PolarHBondContact O-N 3.31Å; I211-T213 VanDerWaalsContact O-N 3.08Å
212L35.2Very low40.4Very low154 Ų154137.5 Ų137.581%0.80676%0.758SS**  trans-75.291.4170.8-66.6175.9000109.8V210 G214V210-L212 HydrophobicContact CG1-CD2 3.88Å; V210-L212 HydrophobicContact CG1-CG 4.09Å; V210-L212 PolarHBondContact O-N 2.86Å; L212-G214 PolarHBondContact O-N 3.43Å
213T44.1Very low39.5Very low128 Ų128144.9 Ų144.979%0.78578%0.776SS**  trans-61.9127.5158.347.60000108.5I211I211-T213 PolarHBondContact O-N 3.31Å; I211-T213 VanDerWaalsContact O-N 3.08Å
214G34.9Very low38.9Very low74 Ų74142.9 Ų142.976%0.76378%0.782SS**  trans-67140.5-160.900000115.9L212L212-G214 PolarHBondContact O-N 3.43Å
215Y31.4Very low38.1Very low180 Ų180143.2 Ų143.271%0.70679%0.794SS**  trans58.1105.8149.4-164.6-106.9000118.4
216M34.5Very low37.9Very low184 Ų184142.2 Ų142.291%0.90679%0.792SS**  trans-127.2152.7140.8-80.2-66.9142.500108
217D33.7Very low37.9Very low122 Ų122144.8 Ų144.865%0.65280%0.797SS**  trans-77164.5-169.7-143.7-12.4000113.2E219D217-E219 PolarHBondContact O-N 2.71Å
218E42Very low37.7Very low191 Ų191146.8 Ų146.889%0.89380%0.802SS**SBendtrans-81.569.7-168.5-164.9175.2-175.300114
219E43.5Very low37.3Very low172 Ų172148.9 Ų148.980%0.80480%0.802SS**  trans-155.1168.4158.2-122.4176.4-13800113.7D217D217-E219 PolarHBondContact O-N 2.71Å
220L41.6Very low37.3Very low163 Ų163150.3 Ų150.385%0.85380%0.803SS**  trans70.227.4177.2-51.9-175.3000119.1K222L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.17Å
221A35.1Very low36.7Very low104 Ų104152.3 Ų152.386%0.8681%0.81SS**  trans-73.572.7168.500000113.7
222K40.8Very low36.8Very low195 Ų195154.4 Ų154.485%0.84881%0.813SS**  trans-156.4129.6170-107.9151.5-169.7168.10113.6L220L220-K222 VanDerWaalsContact C-N 3.32Å; L220-K222 PolarHBondContact O-N 3.17Å
223K33.9Very low36.7Very low206 Ų206152.9 Ų152.990%0.89681%0.814SS**  trans72.797.8171.3-49.3172.5-174.2173.70117.4
224S33.1Very low35.9Very low115 Ų115150.4 Ų150.480%0.80481%0.814SS**  -174.7130.3116.1550000111.6
225C31.4Very low35.7Very low136 Ų136150.7 Ų150.792%0.91982%0.817SS**  trans-110.3115.2173.4-64.50000109.8
226S32.8Very low35.7Very low106 Ų106149.6 Ų149.674%0.74183%0.829SS**  trans-139.883177.1-78.50000113.3I228S226-I228 PolarHBondContact O-N 2.92Å; S226-I228 VanDerWaalsContact O-N 3.11Å
227K43.4Very low35.5Very low190 Ų190145.8 Ų145.883%0.82683%0.827SS**  trans29.269.8141.5-163.5174.4-178.5176.10117.3Q229K227-Q229 PolarHBondContact O-N 3.43Å
228I35Very low35.3Very low162 Ų162150.3 Ų150.383%0.83184%0.835SS**  trans-74.5123.2162-61177.8000108.2S226S226-I228 PolarHBondContact O-N 2.92Å; S226-I228 VanDerWaalsContact O-N 3.11Å
229Q34.4Very low35Very low159 Ų159146.2 Ų146.274%0.74383%0.828SS**  trans-80.6134.5176.5-62.4-17229.800110.7K227 L231K227-Q229 PolarHBondContact O-N 3.43Å; Q229-L231 PolarHBondContact O-N 3.4Å
230I37Very low34.3Very low159 Ų159144.3 Ų144.382%0.81582%0.819SS**  trans-7693.5176.5-57.5171.3000108.4K232I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 HydrophobicContact CG2-CB 4.4Å; I230-K232 PolarHBondContact O-N 3.43Å
231L32Very low33.7Very low156 Ų156143 Ų14382%0.81781%0.813SS**  trans-77.280.1178.4-152160.1000109.9Q229 C233Q229-L231 PolarHBondContact O-N 3.4Å; L231-C233 PolarHBondContact O-N 3.02Å
232K42.2Very low33.8Very low187 Ų187142.5 Ų142.581%0.81380%0.803SS**  trans-81.899.9-176.8-162.6177.3-173.1-179.30109.7I230 G234I230-K232 VanDerWaalsContact C-N 3.26Å; I230-K232 HydrophobicContact CG2-CB 4.4Å; I230-K232 PolarHBondContact O-N 3.43Å; K232-G234 PolarHBondContact O-N 2.94Å
233C33.3Very low33.4Very low121 Ų121142.7 Ų142.782%0.81880%0.798SS**  trans-60.2121.1179.6-63.50000112.2L231L231-C233 PolarHBondContact O-N 3.02Å
234G28Very low33.1Very low76 Ų76139.4 Ų139.478%0.78479%0.786SS**  trans168.6139170.400000113.2K232K232-G234 PolarHBondContact O-N 2.94Å
235G29.6Very low33Very low81 Ų81140.7 Ų140.784%0.83578%0.779SS**  trans105.3104.617000000115.3
236T31.6Very low33.1Very low156 Ų156138.5 Ų138.596%0.95776%0.759SS**  trans-83.2119.2171.1-500000110.3
237A32.1Very low33.5Very low105 Ų105142.3 Ų142.387%0.86876%0.762SS**  trans-153.7153.1170.200000113.8
238R29.5Very low33.2Very low216 Ų216142.7 Ų142.782%0.81577%0.766SS**  trans-107.7137.4-167.6153.7-164.5170.4-170.3-0.3112.5Q240R238-Q240 VanDerWaalsContact NH2-OE1 3.09Å
239S34.3Very low33.4Very low105 Ų105139.1 Ų139.173%0.73476%0.761SS**  trans-174.2134148.9-162.30000107.4
240Q29.3Very low33.5Very low133 Ų133139.6 Ų139.662%0.62177%0.768SS**  57.3132.157.5-58-174.2-109.400111.7R238R238-Q240 VanDerWaalsContact NH2-OE1 3.09Å
241N29.3Very low33.4Very low136 Ų136140.1 Ų140.173%0.72776%0.764SS**  cis-162152.927.6-173.330000113.7
242S37.4Very low33.8Very low92 Ų92140.6 Ų140.664%0.64377%0.768SS**  trans51.2163.3152.5690000120.4
243R31.4Very low33.3Very low200 Ų200138.1 Ų138.176%0.75576%0.763SS**  cis-156.5135.613.5-153.2151.5173.4-158.7-14.3107.9
244E29.1Very low33.8Very low136 Ų136139.8 Ų139.864%0.63676%0.763SS**  58.8133.7106.7-132.7157.6-10700113.9
245E29.9Very low34.3Very low142 Ų142142.8 Ų142.866%0.66476%0.759SS**  cis-165177.613.8-144-178.7-168.900112.8
246N34.4Very low34.7Very low91 Ų91147.2 Ų147.249%0.48776%0.756SS.*  trans59.6115.8152.9-64.5-36.4000120.6
247K39.7Very low34.8Very low186 Ų186145.3 Ų145.381%0.80974%0.744SS**  72.110776.8-70.6177.8-162.5131.30115.1
248E38.6Very low35Very low197 Ų197147.4 Ų147.492%0.92174%0.741SS**  -157.9164.6112.7-170.5147.6-138.700108.7
249A37.7Very low35.1Very low88 Ų88142.6 Ų142.673%0.72774%0.74SS**  trans-139137.9-177.600000111.3
250L36.7Very low35.2Very low168 Ų168143.6 Ų143.688%0.8874%0.741SS**  trans-142147161.1-137.6121.7000112.1
251K35.9Very low35.3Very low171 Ų171145.4 Ų145.474%0.74375%0.75SS**  trans-86.2150.4-176.4-52.4162.2-173.3171.60109.3
252N39.8Very low35.5Very low165 Ų165143.7 Ų143.788%0.88275%0.749SS**  trans-146.6111.2148.4-89.8-51.6000107.9
253D32Very low35.3Very low136 Ų136146.8 Ų146.873%0.72776%0.757SS**  trans-75148.3-178.4-70.5-65.6000111.6I255D253-I255 PolarHBondContact O-N 3.48Å; D253-I255 VanDerWaalsContact O-N 3.09Å
254I44.5Very low35.3Very low156 Ų156146.6 Ų146.680%0.876%0.762SS**  trans-7698.2177.2-57.7172.8000108.7F256I254-F256 HydrophobicContact CG2-CD2 4.27Å
255I37.3Very low35.5Very low138 Ų138145.9 Ų145.971%0.70877%0.772SS**  trans-97.8106.1170.6-55.3-176.4000109.6D253 T257D253-I255 PolarHBondContact O-N 3.48Å; D253-I255 VanDerWaalsContact O-N 3.09Å; I255-T257 HydrophobicContact CG2-CG2 3.97Å; I255-T257 PolarHBondContact O-N 3.44Å
256F37.9Very low35.8Very low174 Ų174143.9 Ų143.976%0.76378%0.779SS**  trans-73109.4166-109.4-97.5000109.5I254I254-F256 HydrophobicContact CG2-CD2 4.27Å
257T34Very low35.7Very low116 Ų116146.4 Ų146.471%0.71279%0.788SS**  trans-107.394.1165.953.60000110.7I255 S259I255-T257 HydrophobicContact CG2-CG2 3.97Å; I255-T257 PolarHBondContact O-N 3.44Å; T257-S259 PolarHBondContact O-N 2.88Å
258N37Very low35.6Very low150 Ų150145.6 Ų145.680%0.80279%0.791SS**  trans-67.5114.2158.3-68.1-43000107.6
259S31.5Very low35.6Very low115 Ų115144 Ų14480%0.80478%0.78SS**  trans-120.9135.6165.3-163.50000108.9T257T257-S259 PolarHBondContact O-N 2.88Å
260V36.6Very low35.2Very low125 Ų125148 Ų14876%0.75878%0.784SS**  trans-100.9163.9-172.8-159.70000109
261E30Very low35.5Very low172 Ų172145.8 Ų145.880%0.80478%0.78SS**  trans70.397.2148.6-164.3161.1-139.800118.1
262S33.6Very low35.4Very low100 Ų100146.5 Ų146.570%0.69979%0.786SS**  -177.3123.7115.1-83.80000114.1
263L33.8Very low35.7Very low157 Ų157150.3 Ų150.382%0.82279%0.788SS**  trans45127.4132.2-58.1174.5000119.1
264K30.4Very low35.9Very low196 Ų196150.9 Ų150.985%0.85279%0.786SS**  cis-148133.621.1-56.7169.1-173.3170.10110.3
265S35.2Very low35.7Very low121 Ų121147.2 Ų147.285%0.84679%0.787SS**PPolyproline II helixtrans-94.6132.1163.447.60000110.4
266A35.4Very low35.7Very low99 Ų99148.1 Ų148.182%0.81879%0.786SS**PPolyproline II helixtrans-76.5127.916800000108.8
267H31.3Very low35.6Very low145 Ų145143.6 Ų143.667%0.67179%0.788SS**PPolyproline II helixtrans-70.5145.2176.882.7-10.4000110.9K269H267-K269 VanDerWaalsContact NE2-CE 3.32Å; H267-K269 WeakPolarHBondContact NE2-CE 3.33Å
268I39.2Very low36Very low168 Ų168144.5 Ų144.586%0.86279%0.793SS**  trans-118.8122.4155.4-62.4178.3000104.6
269K37.6Very low36.1Very low163 Ų163144.4 Ų144.471%0.70979%0.793SS**  trans-73.7131.7-176.8-75.8177168.1178.50110.4H267H267-K269 VanDerWaalsContact NE2-CE 3.32Å; H267-K269 WeakPolarHBondContact NE2-CE 3.33Å
270E29.3Very low36.7Very low173 Ų173146.1 Ų146.181%0.80879%0.792SS**  trans-65.7143153.3-67.8-169.3109.300109.2E272E270-E272 PolarHBondContact O-N 3.39Å
271P43.2Very low36.6Very low122 Ų122147.9 Ų147.979%0.79279%0.792SS**  trans-73.8112.2170.129.2-31.9000110
272E33Very low37.4Very low185 Ų185149.5 Ų149.586%0.86480%0.797SS**  trans-63140.8176.3-65.9178117.600111.5E270 E274E270-E272 PolarHBondContact O-N 3.39Å; E272-E274 PolarHBondContact O-N 2.73Å
273R46.2Very low37.8Very low246 Ų246151.3 Ų151.393%0.92880%0.798SS**  trans-90.985.1176.9-57.1-175.8-165.71079.2109.1G275R273-G275 PolarHBondContact O-N 3.23Å
274E36.7Very low38.4Very low148 Ų148153.1 Ų153.169%0.69280%0.8SS**  trans-64.991.7174.3-82-150144.800111.7E272 K276E272-E274 PolarHBondContact O-N 2.73Å; E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.14Å; E274-K276 IonicContact OE1-NZ 2.6Å; E274-K276 PolarHBondContact OE1-NZ 3.12Å; E274-K276 IonicContact OE2-NZ 2.67Å; E274-K276 PolarHBondContact OE2-NZ 2.86Å
275G39.8Very low38.9Very low79 Ų79151.7 Ų151.781%0.81480%0.8SS**  trans-78.281.7163.300000111R273 G277R273-G275 PolarHBondContact O-N 3.23Å; G275-G277 PolarHBondContact O-N 3.02Å
276K39Very low39.2Very low157 Ų157149.5 Ų149.568%0.68380%0.796SS**  trans-81.7107.7164.7-73-163.4173.986.80109.4E274E274-K276 PolarHBondContact O-N 3.41Å; E274-K276 VanDerWaalsContact O-N 3.14Å; E274-K276 IonicContact OE1-NZ 2.6Å; E274-K276 PolarHBondContact OE1-NZ 3.12Å; E274-K276 IonicContact OE2-NZ 2.67Å; E274-K276 PolarHBondContact OE2-NZ 2.86Å
277G35.5Very low39.2Very low78 Ų78152.6 Ų152.680%0.80480%0.796SS**  trans-80.1132.8170.300000111.2G275G275-G277 PolarHBondContact O-N 3.02Å
278T41.3Very low39.4Very low135 Ų135153.5 Ų153.583%0.82880%0.8SS**  trans-109123.3161.749.50000108
279D38.7Very low39.4Very low148 Ų148151.1 Ų151.179%0.79179%0.793SS**  trans-88.7152.9173.1-172.521.8000110.1
280L44.2Very low39.8Very low151 Ų151151.1 Ų151.179%0.79179%0.793SS**  trans64.7146.2-170.1-44.9176.1000112.4
281E34.9Very low40.2Very low163 Ų163148.1 Ų148.176%0.76279%0.787SS**  cis-131.8151.719.9180159.9-154.400112.1D283E281-D283 PolarHBondContact O-N 2.99Å
282K47.3Very low40.2Very low205 Ų205149.7 Ų149.789%0.89179%0.788SS**  trans-95.469.2-179.1-75.7-173.2178.5176.20111.6
283D40.9Very low40.6Very low138 Ų138145.4 Ų145.474%0.73878%0.779SS**  trans-69.9137.2-175.4-121.3-24.2000113.2E281E281-D283 PolarHBondContact O-N 2.99Å
284K47.4Very low40.5Very low195 Ų195141.7 Ų141.785%0.84878%0.777SS**  trans-96.5102.4-173.7-63.3172.4-173.7167.90110.5
285I41.6Very low40.8Very low166 Ų166138.8 Ų138.885%0.85178%0.778SS**  trans-106.280.9161.8-54.7-176.7000108.7
286G40.6Very low40.6Very low75 Ų75138 Ų13877%0.77377%0.771SS**  trans-84.3116.1167.700000109.9
287M34.9Very low40.9Very low164 Ų164138.4 Ų138.481%0.80878%0.778SS**  trans-110.684.2169.3-173.1153.263.700109.5V289M287-V289 HydrophobicContact CG-CG2 4.34Å; M287-V289 PolarHBondContact O-N 2.97Å
288E36.3Very low41.2Very low164 Ų164140.4 Ų140.477%0.76678%0.777SS**  trans-6993.5170.8-73.4-167.7158.700110.3K290E288-K290 PolarHBondContact O-N 2.6Å
289V39.7Very low41.1Very low118 Ų118143 Ų14372%0.71578%0.777SS**  trans-73.495.3162.8179.30000107.7M287 V291M287-V289 HydrophobicContact CG-CG2 4.34Å; M287-V289 PolarHBondContact O-N 2.97Å; V289-V291 HydrophobicContact CG1-CG2 4.17Å; V289-V291 PolarHBondContact O-N 3.13Å
290K45.4Very low40.9Very low164 Ų164147.9 Ų147.971%0.71379%0.785SS**  trans-67.5117.2173.7-66.9-176.4178.6-178.10110E288E288-K290 PolarHBondContact O-N 2.6Å
291V37.9Very low40.4Very low110 Ų110149 Ų14967%0.66779%0.786SS**  trans-126.192165.3179.20000107.6V289 S293V289-V291 HydrophobicContact CG1-CG2 4.17Å; V289-V291 PolarHBondContact O-N 3.13Å; V291-S293 PolarHBondContact O-N 3.08Å
292D42Very low40.4Very low155 Ų155150 Ų15083%0.82979%0.791SS**  trans-71111.5165.7-65.5-61000108.2
293S42Very low39.8Very low94 Ų94146.3 Ų146.366%0.65779%0.785SS**  trans-154.284.9176.1-75.50000110.2V291 A295V291-S293 PolarHBondContact O-N 3.08Å; S293-A295 PolarHBondContact O-N 3.23Å
294D45.2Very low39.3Very low169 Ų169147.6 Ų147.690%0.90479%0.787SS**  trans-69106.7172-175.311.5000110.1
295A42Very low38.5Very low86 Ų86145.4 Ų145.471%0.71178%0.784SS**  trans-143.182.3179.800000109.8S293S293-A295 PolarHBondContact O-N 3.23Å
296G35.8Very low38Very low64 Ų64146.3 Ų146.366%0.6678%0.781SS**  trans-55.6139.2-176.400000114.4P298G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.4Å; G296-P298 VanDerWaalsContact O-N 3.17Å
297I45.2Very low37.6Very low164 Ų164149.4 Ų149.484%0.84178%0.778SS**  trans-57.2113.5-174.3-57.6166.4000111.4K299I297-K299 PolarHBondContact O-N 3.15Å
298P41.1Very low37.6Very low120 Ų120146.6 Ų146.678%0.77978%0.775SS**  trans-73.4113.517429.3-32.2000109.7G296 R300G296-P298 VanDerWaalsContact O-CD 3.26Å; G296-P298 WeakPolarHBondContact O-CD 3.4Å; G296-P298 VanDerWaalsContact O-N 3.17Å; P298-R300 PolarHBondContact O-N 3.32Å
299K39.2Very low37.2Very low190 Ų190145.6 Ų145.683%0.82678%0.775SS**PPolyproline II helixtrans-58.4132.2171.5-69.6176.7178.7174.30109.5I297 Q301I297-K299 PolarHBondContact O-N 3.15Å; K299-Q301 PolarHBondContact O-N 3.49Å; K299-Q301 VanDerWaalsContact O-N 3.08Å
300R35.1Very low36.7Very low251 Ų251148.9 Ų148.995%0.94778%0.783SS**PPolyproline II helixtrans-54.6116.6165.4-83.6-177.3169.8172.1-3.3109P298P298-R300 PolarHBondContact O-N 3.32Å
301Q34.9Very low36Very low175 Ų175150.9 Ų150.982%0.81879%0.787SS**PPolyproline II helixtrans-82.5134.8161.4-71.7-173.4-1000108.7K299 T303K299-Q301 PolarHBondContact O-N 3.49Å; K299-Q301 VanDerWaalsContact O-N 3.08Å; Q301-T303 PolarHBondContact O-N 3.33Å
302E35Very low35.6Very low184 Ų184151.2 Ų151.286%0.8679%0.789SS**  trans-95.188.1179.8-170.6167.8-129.500108.9Q304E302-Q304 PolarHBondContact O-N 3.43Å
303T33.1Very low34.9Very low126 Ų126150.9 Ų150.977%0.77379%0.794SS**  trans-68.5103.5-174.7-49.50000110.9Q301 L305Q301-T303 PolarHBondContact O-N 3.33Å; T303-L305 PolarHBondContact O-N 3.3Å; T303-L305 VanDerWaalsContact O-N 3.08Å
304Q30.5Very low34.1Very low166 Ų166156.9 Ų156.978%0.77680%0.802SS**  trans-68.4106.4176.6-68.3-167.525.700111.3E302 K306E302-Q304 PolarHBondContact O-N 3.43Å; Q304-K306 PolarHBondContact O-N 3.01Å
305L30.8Very low33.1Very low149 Ų149155.1 Ų155.178%0.7880%0.797SS**  trans-84.796.7179.1-150.6171.3000109.4T303 I307T303-L305 PolarHBondContact O-N 3.3Å; T303-L305 VanDerWaalsContact O-N 3.08Å; L305-I307 HydrophobicContact CD2-CG1 4.41Å; L305-I307 PolarHBondContact O-N 3.06Å
306K31.9Very low32.3Very low185 Ų185154.8 Ų154.880%0.80480%0.802SS**  trans-73.5117.6174.3-72.1178177.2176.10110.1Q304Q304-K306 PolarHBondContact O-N 3.01Å
307I31.2Very low32Very low139 Ų139157.3 Ų157.371%0.71381%0.81SS**  trans-89.8126.9164.1-58.1175.2000107L305L305-I307 HydrophobicContact CD2-CG1 4.41Å; L305-I307 PolarHBondContact O-N 3.06Å
308S35Very low31.8Very low106 Ų106154.9 Ų154.974%0.74180%0.804SS**  trans-119.497.6176.8550000109.7E310S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 VanDerWaalsContact O-N 3.12Å
309D27.6Very low31.1Very low143 Ų143156.3 Ų156.377%0.76581%0.806SS**  trans-79.187.1177-66.4-45.1000110.6Y311D309-Y311 PolarHBondContact O-N 3.5Å
310E30.6Very low30.7Very low187 Ų187156.8 Ų156.887%0.87481%0.808SS**  trans-88.9103.4171.8-170.6170.1176.800111.1S308S308-E310 PolarHBondContact O-N 3.31Å; S308-E310 VanDerWaalsContact O-N 3.12Å
311Y29.7Very low30.4Very low205 Ų205151.4 Ų151.480%0.80479%0.793SS**  trans-88.6111.3169.753.8-83.3000109.8D309D309-Y311 PolarHBondContact O-N 3.5Å
312T29.5Very low29.9Very low117 Ų117151.3 Ų151.372%0.71879%0.79SS**  trans-178.1117.6144.2-79.20000110.4
313T27.8Very low29.4Very low149 Ų149148.2 Ų148.291%0.91479%0.787SS**  trans-136.7129.9146.343.70000108.7
314R24.9Very low29.1Very low219 Ų219148.1 Ų148.183%0.82679%0.786SS**  trans-130.5109.9-176.1-171.8-165175.5-153.2-1.1109.8
315T24.5Very low28.9Very low132 Ų132151 Ų15181%0.8179%0.79SS**  trans45.4114.2159.558.70000119
316G24.4Very low28.5Very low79 Ų79149.4 Ų149.481%0.81479%0.79SS**  trans-166.787.1166.400000113.7
317S29Very low28.3Very low117 Ų117147.2 Ų147.282%0.81879%0.792SS**  trans-81.7160.1171.7-40.30000110.7
318P41.6Very low28.1Very low113 Ų113149.5 Ų149.573%0.73480%0.797SS**  -154.9161.780.340.1-20.6000119.1
319N27.4Very low27.6Very low151 Ų151155.5 Ų155.581%0.80780%0.804SS**  trans56.5116.4145.3-70.3-19.9000123.5
320K30.1Very low27.4Very low199 Ų199154.9 Ų154.987%0.86581%0.805SS**  167.1153.1119.4-89.9163.1-177.6-179.50109.7
321E28.7Very low27.3Very low138 Ų138149.2 Ų149.265%0.64580%0.797SS**  cis-162.6143.3-35.4-166.1-170136.900107.7
322K24.8Very low27.2Very low174 Ų174148.2 Ų148.276%0.75780%0.8SS**  trans54.4116.5173.8-72.8154.2-179.31490117.2
323C25Very low27.1Very low118 Ų118148.5 Ų148.580%0.79780%0.801SS**  76124.352.9-172.60000115.1
324V26.9Very low27.2Very low124 Ų124150.8 Ų150.875%0.75280%0.798SS**  trans-160.3135133.4135.80000111.7
325R25.1Very low27.3Very low227 Ų227148.9 Ų148.986%0.85780%0.796SS**  trans80.2133163.6-139.4164-64.9-169.32120.4
326C23.5Very low27.6Very low115 Ų115148.2 Ų148.278%0.77780%0.797SS**  trans-91.9179.3-180-440000111
327T26.9Very low27.6Very low139 Ų139152 Ų15285%0.85379%0.793SS**  -157176.756.447.60000115
328K26.8Very low27.4Very low187 Ų187152.3 Ų152.381%0.81380%0.796SS**  trans-86.8158.4-167.6-52.4169.5179.8175.20114.8
329R25.5Very low26.6Very low233 Ų233150.4 Ų150.488%0.87980%0.796SS**  -175.7110.4124.3-97.4164.5-176.9118.5-4.4109.5
330T23.8Very low26.8Very low129 Ų129150 Ų15079%0.79180%0.799SS**  59.4126.192.960.30000115.3
331G27.4Very low27.1Very low68 Ų68145.7 Ų145.770%0.70179%0.791SS**  cis164.8-176.4-2.900000113.3
332Q27.7Very low27Very low185 Ų185149 Ų14986%0.86480%0.804SS**  trans69.7134.8178.9-51-174.372.200115.3
333V26.6Very low26.9Very low123 Ų123143.8 Ų143.875%0.74580%0.799SS**  cis89.310115.7-171.50000116.9
334K30.8Very low26.9Very low196 Ų196147.2 Ų147.285%0.85280%0.803SS**  trans-176.5122.2142-96.5153.5-178.9177.90106.5
335K27.5Very low26.9Very low179 Ų179149.4 Ų149.478%0.77881%0.805SS**  cis81.789.339.2-86.5-140.4170.9-153.70116.7
336S29.6Very low27.2Very low119 Ų119143 Ų14383%0.83280%0.801SS**  trans179.4130.7140.643.80000107.4
337E24.3Very low27.5Very low157 Ų157146.3 Ų146.373%0.73481%0.805SS**  cis90.1120.611.1-159.2167.7-167.600116.8
338S25.1Very low27.5Very low125 Ų125145.9 Ų145.987%0.87480%0.802SS**  trans65.1147.7178.873.90000117.2
339G24.8Very low27.5Very low72 Ų72143.3 Ų143.374%0.74280%0.802SS**  cis-168.3167.7-4.300000113.2
340V31.9Very low27.9Very low143 Ų143141.9 Ų141.987%0.86780%0.802SS**  trans-111.3142.2-178.2-178.90000110.1
341P37.6Very low28.1Very low108 Ų108141.8 Ų141.870%0.70181%0.807SS**  trans-149.8128.9134.433.5-15.1000116.5
342K25.1Very low27.9Very low209 Ų209142.2 Ų142.291%0.90981%0.811SS**  trans64.4155150-56171.8-177.61780117.5
343G24.2Very low27.6Very low64 Ų64141.2 Ų141.266%0.6681%0.811SS**  cis162.1162.2-7.800000111.7
344Q24.7Very low27.5Very low190 Ų190141.2 Ų141.289%0.88881%0.811SS**  trans62.9169.6176.2-64.3177.6-53.100116.7
345E25.3Very low27.2Very low169 Ų169137.9 Ų137.979%0.7981%0.807SS**  -158.6165-51-169.3155.4-166.400107.5
346A32.9Very low27.1Very low93 Ų93135.9 Ų135.977%0.76980%0.804SS**  trans-72.5142.5-175.900000113.2
347Q28.7Very low26.8Very low185 Ų185139.6 Ų139.686%0.86481%0.805SS**  trans-133.5145.1159.7-69.6-161.431.800111.3
348V27Very low26.8Very low130 Ų130134.9 Ų134.979%0.78880%0.798SS**  trans-119.1128.7177.4172.10000108.1
349T26.3Very low26.7Very low133 Ų133137.2 Ų137.282%0.81680%0.795SS**  trans-127.9138.8168.540.20000110.7
350K34.8Very low26.6Very low202 Ų202141.6 Ų141.688%0.87880%0.797SS**  trans-113135.6171.5-67.4178.8-179.3176.10108.9
351S28.4Very low26.2Very low128 Ų128139.3 Ų139.390%0.89579%0.793SS**  trans-156.6159.8160.752.50000107.2
352G22.5Very low25.7Very low77 Ų77143.3 Ų143.379%0.79480%0.802SS**  cis164.4127.7-2.200000107.1
353L22.7Very low25.8Very low163 Ų163139.5 Ų139.585%0.85380%0.796SS**  trans-91.3160.2-168.2-163.371.3000112.5
354V23.6Very low25.9Very low124 Ų124145.2 Ų145.275%0.75281%0.806SS**  trans63.7154.1171.7-100.40000115.9
355V23.7Very low26Very low125 Ų125144.7 Ų144.776%0.75880%0.8SS**  cis-142.5-173.515.9-123.40000109.5
356L26.2Very low26.3Very low137 Ų137141.9 Ų141.972%0.71780%0.799SS**  cis-160.4154.48.6-131.3-156.9000110.2
357K23.8Very low26.3Very low198 Ų198145.6 Ų145.686%0.86180%0.801SS**  trans59.6145.3162.7-80.4176177.4-177.60118.9
358G23.2Very low26.1Very low57 Ų57145.4 Ų145.459%0.58880%0.802SS**  cis162.2158.7-7.200000112
359Q22.7Very low26Very low174 Ų174142.2 Ų142.281%0.81380%0.795SS**  trans67.3100.3-174.8-72.8170.5-24.200113
360E23Very low26.3Very low165 Ų165142.4 Ų142.477%0.77180%0.796SS**  58.2130.253.9-50.4100.355.900111.9
361A24.8Very low26.1Very low95 Ų95138.8 Ų138.879%0.78579%0.793SS**  cis-131.2-166.912.600000110.3
362Q26.5Very low26Very low192 Ų192143.8 Ų143.890%0.89779%0.792SS**  cis-145.7-171.920.9-61.2-177.2100.300111.6
363V26.8Very low26.3Very low129 Ų129149.3 Ų149.378%0.78279%0.789SS**  trans-126.5129.7169.1169.80000109K365V363-K365 HydrophobicContact CG1-CG 4.37Å
364E26.6Very low26.3Very low184 Ų184151.2 Ų151.286%0.8679%0.794SS**  trans-117.7118165.8-171.8168.8-153.300110.1
365K27.5Very low26.5Very low179 Ų179152 Ų15278%0.77879%0.789SS**  trans-97104170.4-73.3-175.5176.9-1750109.1V363 E367V363-K365 HydrophobicContact CG1-CG 4.37Å; K365-E367 VanDerWaalsContact C-N 3.27Å; K365-E367 PolarHBondContact O-N 3.44Å; K365-E367 VanDerWaalsContact O-N 3.11Å
366S30Very low26.6Very low110 Ų110151.3 Ų151.377%0.76979%0.79SS**  trans-85.163.7172.342.80000112.1M368S366-M368 PolarHBondContact O-N 3.3Å
367E32.7Very low26.6Very low170 Ų170154 Ų15479%0.79480%0.799SS**  trans-82.684.4168.6-172.9172.6-169.700109.7K365K365-E367 VanDerWaalsContact C-N 3.27Å; K365-E367 PolarHBondContact O-N 3.44Å; K365-E367 VanDerWaalsContact O-N 3.11Å
368M24.5Very low26.7Very low182 Ų182150.8 Ų150.890%0.89780%0.795SS**  trans-158.4133-178.9-142.474.162.300109.7S366S366-M368 PolarHBondContact O-N 3.3Å
369G25.8Very low26.9Very low62 Ų62158 Ų15864%0.63981%0.81SS**  cis-174.4157.1-8.300000110.2P371G369-P371 WeakPolarHBondContact O-CD 3.44Å
370V32Very low27.2Very low137 Ų137158.8 Ų158.883%0.8381%0.812SS**  trans-75.8127.4179.3177.20000110.6R372V370-R372 PolarHBondContact O-N 3.39Å
371P31.5Very low27.5Very low127 Ų127156.4 Ų156.483%0.82581%0.813SS**  trans-65.7101.6171.2-20.433.6000111G369G369-P371 WeakPolarHBondContact O-CD 3.44Å
372R26.6Very low27.5Very low233 Ų233160.7 Ų160.788%0.87982%0.817SS**  trans-81.8129.1179.9-176.7173.1175.7160.6-2.2110.9V370V370-R372 PolarHBondContact O-N 3.39Å
373R27.2Very low27.6Very low193 Ų193157.1 Ų157.173%0.72881%0.813SS**  trans-3.2134.4168.4-58-175-175.5167.31.3117.7E375R373-E375 WeakPolarHBondContact CD-OE1 3.48Å; R373-E375 IonicContact CZ-OE1 3.66Å; R373-E375 IonicContact NE-OE1 3.71Å; R373-E375 IonicContact NH1-OE1 3.51Å; R373-E375 PolarHBondContact NH1-OE1 3.28Å
374Q22.9Very low27.5Very low203 Ų203154.6 Ų154.695%0.94981%0.813SS**  trans-96.9137.8136.5-165.3165.89.700108.5
375E27.8Very low27.6Very low140 Ų140152.8 Ų152.865%0.65481%0.814SS**  trans-132.5121.7-163.5-169.5168.9-92.900110R373R373-E375 WeakPolarHBondContact CD-OE1 3.48Å; R373-E375 IonicContact CZ-OE1 3.66Å; R373-E375 IonicContact NE-OE1 3.71Å; R373-E375 IonicContact NH1-OE1 3.51Å; R373-E375 PolarHBondContact NH1-OE1 3.28Å
376S27.3Very low27.6Very low111 Ų111149.4 Ų149.478%0.77681%0.813SS**  trans-143.790.217948.90000113.8
377Q25.1Very low27.5Very low194 Ų194154.2 Ų154.291%0.90782%0.82SS**  trans68.9125.9152.3-53.6-16113.500120.3
378V25.1Very low27.2Very low129 Ų129149.9 Ų149.978%0.78282%0.821SS**  trans-87137.6174.9171.70000111.1
379K29.5Very low27.3Very low208 Ų208150.9 Ų150.990%0.90482%0.824SS**  trans-124.7143.6141.2-73-171178.6177.50109.8
380K28.8Very low27.3Very low192 Ų192157 Ų15784%0.83584%0.835SS**  trans-65.2160.4-164.5-55170.8-176.9177.80111.1
381S29Very low27.3Very low114 Ų114154.7 Ų154.780%0.79783%0.831SS**  cis-160.7172.443.7-62.10000115.6
382Q24.8Very low27.1Very low185 Ų185157.2 Ų157.286%0.86483%0.832SS**  trans-50.1162.3159.2-76.4158.4-76.800113.4
383S27.1Very low27.1Very low118 Ų118152.4 Ų152.483%0.82583%0.828SS**  cis-166.9157.1-1.540.70000110.7
384G25.5Very low27.2Very low76 Ų76152.2 Ų152.278%0.78483%0.832SS**  trans170.8129.1163.100000114.2
385V28.7Very low27.4Very low146 Ų146151.7 Ų151.789%0.88583%0.827SS**  trans-129.1116176.4174.20000109.9
386S26.8Very low27.6Very low107 Ų107156.6 Ų156.675%0.74884%0.84SS**  trans-175.2120.4141.655.60000114
387K27.8Very low27.5Very low212 Ų212160.2 Ų160.292%0.92284%0.844SS**  trans25.6132.1139.5-60.2179.1177.7179.70120.7
388G27.2Very low27.7Very low79 Ų79156.7 Ų156.781%0.81484%0.841SS**  trans113.9106.1135.700000116.5
389Q26.1Very low27.7Very low203 Ų203156.7 Ų156.795%0.94984%0.841SS**  trans-115.1117.6156.6-83.9-171.5-23.300109.2
390E27.1Very low27.6Very low189 Ų189152.7 Ų152.788%0.88383%0.834SS**  trans-89.5132175.1-173177.8168.300109.8Q392E390-Q392 PolarHBondContact O-N 3.16Å
391A30.9Very low27.5Very low90 Ų90151.7 Ų151.774%0.74484%0.837SS**  trans-83112.4-176.700000111.3V393A391-V393 PolarHBondContact O-N 3.21Å
392Q28.5Very low27.5Very low179 Ų179156 Ų15684%0.83684%0.841SS**  trans-69.3116179.2-69.8-169.62.800112.6E390 K394E390-Q392 PolarHBondContact O-N 3.16Å; Q392-K394 PolarHBondContact O-N 3.19Å
393V26.4Very low27.5Very low133 Ų133151 Ų15181%0.80684%0.839SS**  trans-78.5110.2174.61780000110.5A391 K395A391-V393 PolarHBondContact O-N 3.21Å; V393-K395 PolarHBondContact O-N 3.08Å
394K29.9Very low27.5Very low188 Ų188155 Ų15582%0.81785%0.845SS**  trans-85.199.4168.7-75.6-178176.8175.10110.9Q392Q392-K394 PolarHBondContact O-N 3.19Å
395K26.6Very low27.5Very low192 Ų192160.4 Ų160.484%0.83585%0.849SS**  trans-63.1145.2157.1-71.8-176.2178.4179.90109.3V393V393-K395 PolarHBondContact O-N 3.08Å
396R31.3Very low27.5Very low243 Ų243157.7 Ų157.792%0.91784%0.842SS**  trans-131.3123.5159-81.3-174.8166.8-179-5.1107.8
397E24.9Very low27.5Very low188 Ų188162 Ų16288%0.87985%0.85SS**  trans-80.4140.3169.1-71.3172119.100109.5V399E397-V399 PolarHBondContact O-N 3.43Å
398S28.9Very low27.4Very low119 Ų119157.8 Ų157.883%0.83284%0.842SS**  trans-90.698.4176.554.40000109.9
399V25.9Very low27.3Very low130 Ų130162.7 Ų162.779%0.78884%0.844SS**  trans-67139.3169.4177.50000109.5E397E397-V399 PolarHBondContact O-N 3.43Å
400V28.2Very low27.5Very low124 Ų124162.4 Ų162.475%0.75284%0.839SS**  trans-70.8128.7179176.90000110.1
401L27Very low27.5Very low171 Ų171158.5 Ų158.590%0.89583%0.833SS**  trans-105.5129.5162.5-70177.6000109.6
402K27.3Very low27.2Very low205 Ų205162.9 Ų162.989%0.89184%0.838SS**  trans-143.7128178.1-179.2-173.8178.8-172.80107
403G26.6Very low27.1Very low79 Ų79162 Ų16281%0.81484%0.839SS**  trans122.9108.2-173.400000110.4
404Q25.5Very low27Very low202 Ų202165.5 Ų165.594%0.94484%0.843SS**  trans-124.298.3171.9-175.817713.400105.4
405E27.1Very low27Very low190 Ų190162.9 Ų162.989%0.88884%0.842SS**  trans-111.2138.3-176.1-169.7161.6-157.700109.6
406A28.5Very low27.1Very low88 Ų88159.6 Ų159.673%0.72784%0.84SS**  trans-82138.3-170.300000111.6V408A406-V408 PolarHBondContact O-N 3.04Å
407Q24.9Very low26.8Very low198 Ų198157.8 Ų157.893%0.92584%0.839SS**  trans-76.1123.1170.9-62.9-170.830.400109.8
408V25.7Very low26.9Very low124 Ų124152.5 Ų152.575%0.75284%0.835SS**  trans-101.197.5168.6-179.60000108.2A406 K410A406-V408 PolarHBondContact O-N 3.04Å; V408-K410 HydrophobicContact CG1-CG 4.27Å
409E27.1Very low26.5Very low182 Ų182156.2 Ų156.285%0.8584%0.84SS**  trans-84.5110.8166.9-171.1171.9-150.700108.9
410K28.9Very low26.5Very low196 Ų196159.4 Ų159.485%0.85285%0.846SS**  trans-122.9104.7165.1-83.9-163.9172.5-169.60109.3V408V408-K410 HydrophobicContact CG1-CG 4.27Å
411S27.7Very low26.4Very low107 Ų107156.6 Ų156.675%0.74884%0.842SS**  trans-89.8131.5174.445.10000110.2
412E25Very low26.2Very low183 Ų183157.6 Ų157.686%0.85584%0.842SS**  trans-145.8105.4165.2-140.8159-13000112
413L25.6Very low26.1Very low161 Ų161153.7 Ų153.784%0.84384%0.835SS**  trans28.3116.2149.3-67.2158.8000119.7
414K25.4Very low26.3Very low205 Ų205157.6 Ų157.689%0.89183%0.832SS**  trans-108.6129.3147.6-72.8-171.5177.6-177.60110
415V28.1Very low26.4Very low133 Ų133157 Ų15781%0.80683%0.826SS**  trans-74130.4176.3177.90000109.7
416P29.1Very low26.4Very low123 Ų123153.8 Ų153.880%0.79982%0.82SS**  trans-77.4146.3174.132.5-34.5000111
417K26.1Very low26.2Very low206 Ų206158.8 Ų158.890%0.89683%0.828SS**  trans-142.5118.5178.2-163.7179.4-173.9-176.50111.4
418G25.5Very low26.2Very low77 Ų77153.3 Ų153.379%0.79482%0.817SS**  trans64.6116.2159.800000118.1
419Q21.9Very low26.1Very low197 Ų197154.6 Ų154.692%0.92182%0.82SS**  trans-84155.9150.9-68.6175.2-96.500109.9
420E24.5Very low26.2Very low196 Ų196151.4 Ų151.492%0.91681%0.813SS**  trans135.5143130.1-163.8152.8-11600115.1
421G26.9Very low26.7Very low66 Ų66147.1 Ų147.168%0.6881%0.805SS**  trans68.2102.9172.700000116.1
422Q23.6Very low26.7Very low192 Ų192150 Ų15090%0.89780%0.804SS**  70.8143.658.1-68.8-137.954.200117.4
423V25.2Very low26.6Very low122 Ų122148.4 Ų148.474%0.73980%0.796SS**  trans7686.5169.7-160.90000118.3
424E29.4Very low26.6Very low161 Ų161149 Ų14975%0.75280%0.795SS**  22.8113.2122.7-168.2-170.3-10600119.3
425K29.1Very low26.6Very low189 Ų189147.6 Ų147.682%0.82279%0.791SS**  -168.2170.6119.8-107.1163.9-168174.90115.5
426T27.1Very low26.6Very low124 Ų124146.2 Ų146.276%0.76178%0.783SS**  trans-86.6166-161.743.60000116.3
427E23Very low26.3Very low192 Ų192148.7 Ų148.790%0.89778%0.784SS**  trans92.9168.1146.7-145.8148.4-149.700119
428A24.5Very low26.3Very low83 Ų83145.5 Ų145.569%0.68677%0.772SS**  trans-90.2-176.1-162.900000112.5
429D23.5Very low26.4Very low151 Ų151150.2 Ų150.281%0.80777%0.771SS**  cis-158-179.120.1-144.6-32.6000113.5
430V31.1Very low26.7Very low116 Ų116149.7 Ų149.770%0.70377%0.765SS**  trans-69.6148.4177.3176.40000109.9
431P38.4Very low26.8Very low106 Ų106145.7 Ų145.769%0.68876%0.759SS**  -163.2162.568.545.2-22.7000122.7
432K26.9Very low26.7Very low166 Ų166151 Ų15172%0.72277%0.766SS**  trans60.8162139.1-79.9-179.7161-142.10120
433E24Very low26.9Very low150 Ų150146.8 Ų146.870%0.70176%0.764SS**  cis-153-171.2-2.5-140.6149.9-164.700112.3
434Q24.2Very low27Very low173 Ų173144.9 Ų144.981%0.80877%0.769SS**  trans87.880.3148.6-157.2166.5300122.2
435E25.5Very low26.9Very low176 Ų176143.5 Ų143.582%0.82277%0.771SS**  29.6150.1114.3-148.4-170.5170.800124.1
436V28.2Very low27Very low104 Ų104142.7 Ų142.763%0.6378%0.775SS**  trans118.6109.1145.4178.80000118.9
437Q23Very low27.3Very low175 Ų175146.6 Ų146.682%0.81878%0.782SS**  trans52.8166.1144.2-70.5-175.41.200122.3
438E27.3Very low27.6Very low140 Ų140140.8 Ų140.865%0.65477%0.773SS**  cis-172.1178.8-35.5-157.1-155.2-170.600108.1
439K27.8Very low28Very low175 Ų175143.2 Ų143.276%0.76178%0.782SS**  trans80.2131.7174.1-53.1160.5-171.3169.90114.4
440K27.6Very low28.3Very low186 Ų186145 Ų14581%0.80979%0.785SS**  cis91.9144.130.5-73.5-167.5173.6179.50115.2
441S26.3Very low28.3Very low112 Ų112144.4 Ų144.478%0.78379%0.787SS**  trans71.6137.3179.5-60.80000115.8
442E26Very low27.8Very low178 Ų178148.2 Ų148.283%0.83280%0.795SS**  cis114.9135.19.6-177.7177.7-172.900113.2
443A26.7Very low27.9Very low103 Ų103145.6 Ų145.685%0.85179%0.793SS**  trans63.9140.1173.100000118.5
444G26.3Very low28.1Very low82 Ų82148.3 Ų148.385%0.84580%0.802SS**  trans167.960.7179.800000114.8
445V28.7Very low28.3Very low132 Ų132146.2 Ų146.280%0.880%0.797SS**  trans-89.6131.8178.2175.10000111.3
446L30.5Very low28.5Very low173 Ų173144.3 Ų144.391%0.90680%0.797SS**  trans-135.9135.6161.1-73.5177.3000111.5
447K32.8Very low28.3Very low206 Ų206147.7 Ų147.790%0.89681%0.806SS**  trans-91.1160.5165.1-59.3176179.5179.90108.1
448G29.6Very low28.5Very low69 Ų69144.8 Ų144.871%0.71180%0.8SS**  cis-158.9-139.20.900000108.1
449P34Very low28.4Very low134 Ų134143.9 Ų143.987%0.8781%0.809SS**  cis-117.1-172.36.942.4-30.6000113.8
450E28.5Very low28.7Very low189 Ų189141.5 Ų141.588%0.88381%0.809SS**  trans-77.6156.2-179.6-58.7167.49100114.2
451S31.1Very low29.8Very low104 Ų104138 Ų13873%0.72781%0.806SS**  -169.8159113.362.50000113.3
452Q28.8Very low29.8Very low185 Ų185141.8 Ų141.886%0.86481%0.811SS**  trans65.1105.7167.5-53.8-64.6-13.600117.4
453V28Very low29.9Very low111 Ų111139.1 Ų139.167%0.67381%0.807SS**  trans-113.5142.4-179.8168.90000111.2
454K28.8Very low29.8Very low207 Ų207141.5 Ų141.590%0.981%0.805SS**  trans-157.798.4142-110.2155.7-170.11740111.6
455N29.8Very low29.9Very low130 Ų130146.3 Ų146.370%0.69581%0.805SS**  trans-78.2177.4175.4-57.3-16.1000109.3
456T27.8Very low30.1Very low136 Ų136145.3 Ų145.383%0.83480%0.804SS**  cis-157144.224.6-40.60000111.6
457E24.2Very low30.1Very low175 Ų175146 Ų14682%0.81880%0.802SS**  trans-105.4162.9165.2-176.9167.5-174.100111.1
458V28.9Very low29.8Very low113 Ų113142.1 Ų142.169%0.68580%0.796SS**  trans-43.1144.2177.7179.10000114.5V460V458-V460 HydrophobicContact CG1-CG2 3.77Å
459S25.2Very low29.8Very low122 Ų122147.1 Ų147.185%0.85380%0.798SS**  trans-146.5153.9149.9-77.40000109.8
460V33.3Very low29.8Very low124 Ų124148.5 Ų148.575%0.75279%0.79SS**  trans-124.8-169.4-166.5-150.10000109.9V458V458-V460 HydrophobicContact CG1-CG2 3.77Å
461P51.5Low29.8Very low114 Ų114144.6 Ų144.674%0.7478%0.784SS**  -95.3168.9-11240-28.2000114.8
462E26.3Very low29.6Very low190 Ų190145.6 Ų145.689%0.88878%0.777SS**  trans-152.2173.7141.8-131169-165.500113.8
463T26.1Very low29.6Very low123 Ų123142.9 Ų142.976%0.75578%0.779SS**  trans-76.7153.3-167.948.90000115.6
464L26.3Very low29.6Very low153 Ų153141.1 Ų141.180%0.80178%0.782SS**  trans-167121141.9-92.2150.5000105.1
465E27Very low29.7Very low182 Ų182137.6 Ų137.685%0.8578%0.778SS**  59136.677.4-64.8-155.513000115.4
466S34.5Very low29.9Very low111 Ų111139.8 Ų139.878%0.77679%0.789SS**  trans-85.4150.817755.80000111.6
467Q28.7Very low30.1Very low187 Ų187143.4 Ų143.487%0.87479%0.793SS**  trans-153159.4138.3-81.7-13938.300111.1
468V27.4Very low30.3Very low125 Ų125137.9 Ų137.976%0.75878%0.783SS**  trans-117134.5-175.7172.20000110
469K30.2Very low30.3Very low175 Ų175141.1 Ų141.176%0.76179%0.791SS**  trans178.4128.1139.8-95.9143.5-164.71680112.3
470K32.8Very low30.4Very low162 Ų162143 Ų14370%0.70479%0.786SS**  trans50.8151.3132.1-62.7-170.3169.7-123.10119.5E472K470-E472 WeakPolarHBondContact CB-OE2 3.33Å; K470-E472 WeakPolarHBondContact CD-OE2 3.19Å; K470-E472 VanDerWaalsContact CG-OE2 3.31Å; K470-E472 WeakPolarHBondContact CG-OE2 3.39Å; K470-E472 IonicContact NZ-OE1 3.3Å; K470-E472 PolarHBondContact NZ-OE1 3.08Å; K470-E472 IonicContact NZ-OE2 2.89Å
471S28.9Very low30.4Very low107 Ų107141.9 Ų141.975%0.74879%0.79SS**  cis-151.8167.120.9-95.50000110
472E26.2Very low29.4Very low126 Ų126145.7 Ų145.759%0.58980%0.798SS**  cis-169.6-166.8-30.4-136.3116.3152.600105.1K470K470-E472 WeakPolarHBondContact CB-OE2 3.33Å; K470-E472 WeakPolarHBondContact CD-OE2 3.19Å; K470-E472 VanDerWaalsContact CG-OE2 3.31Å; K470-E472 WeakPolarHBondContact CG-OE2 3.39Å; K470-E472 IonicContact NZ-OE1 3.3Å; K470-E472 PolarHBondContact NZ-OE1 3.08Å; K470-E472 IonicContact NZ-OE2 2.89Å
473S28.9Very low29.5Very low128 Ų128144 Ų14490%0.89579%0.79SS**  trans75.5123.3174.1-1620000118.4
474G27.8Very low29.8Very low73 Ų73145.7 Ų145.775%0.75379%0.787SS**  trans17062.9179.600000112.6
475V32.2Very low30.1Very low133 Ų133148.4 Ų148.481%0.80679%0.792SS**  trans-81.2119.5-173.2178.10000112.1
476L33.5Very low30.3Very low177 Ų177147.9 Ų147.993%0.92779%0.79SS**  trans-141167.6150.2-82.1-173.1000110.7
477K31.8Very low30.2Very low211 Ų211147.4 Ų147.492%0.91779%0.786SS**  trans-146.1137.5-151-176-174.7-179.2-173.70112.3
478G28.1Very low30.4Very low60 Ų60147.9 Ų147.962%0.61979%0.786SS**  trans148.4124.1176.500000109.1
479Q30Very low31Very low180 Ų180149 Ų14984%0.84178%0.783SS**  63.5130.171.6-79.4-174.8-87.200112.9
480E27.1Very low31.3Very low163 Ų163148 Ų14876%0.76279%0.785SS**  cis-165.6135.70.1180171.5136.800110.7
481A32.8Very low32Very low100 Ų100147.3 Ų147.383%0.82678%0.783SS**  trans-171.1110.516000000111.5
482Q31Very low32.1Very low193 Ų193145.3 Ų145.390%0.90278%0.779SS**  trans-124.8133.1155.8-78-171.3-49.300108.1
483E28.8Very low32.5Very low155 Ų155147.1 Ų147.172%0.72479%0.793SS**  -156.8123.5122.8-112.5-161.7141.500113.2
484K32.5Very low33.1Very low159 Ų159148.5 Ų148.569%0.69179%0.79SS**  trans30.7118.3142.2-58.3165.4-167157.30118.5
485K32.5Very low33.8Very low210 Ų210151.8 Ų151.891%0.91379%0.79SS**  -150.8122.798.3-112.8179.1-176.4-177.20113.9
486E30.7Very low34.2Very low171 Ų171153.1 Ų153.180%0.79979%0.785SS**  trans-66.4167.5155.1-66165.6124.700110.1
487S32.8Very low34.3Very low100 Ų100150.9 Ų150.970%0.69977%0.77SS**  cis-172.6159.3-27.158.40000106.3
488F33.2Very low34.8Very low197 Ų197148.5 Ų148.586%0.86476%0.76SS**  trans-169.1121.3149-126-87.1000109.4
489E39.5Very low35.1Very low149 Ų149150.4 Ų150.470%0.69675%0.753SS**  trans-100.5139.9152.8-75-170134.500107K491E489-K491 WeakPolarHBondContact OE1-CE 3.26Å; E489-K491 IonicContact OE1-NZ 2.73Å; E489-K491 PolarHBondContact OE1-NZ 3.26Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 2.62Å; E489-K491 PolarHBondContact OE2-NZ 3.41Å
490D35.4Very low35.6Very low153 Ų153151.7 Ų151.782%0.81875%0.75SS**  trans-127.2147.2158.2-16912.4000108.4
491K47.8Very low36.1Very low148 Ų148151 Ų15164%0.64375%0.751SS**  trans-142.9120.6-164.8-78.7175.8173.81540112.3E489E489-K491 WeakPolarHBondContact OE1-CE 3.26Å; E489-K491 IonicContact OE1-NZ 2.73Å; E489-K491 PolarHBondContact OE1-NZ 3.26Å; E489-K491 WeakPolarHBondContact OE2-CE 3.31Å; E489-K491 IonicContact OE2-NZ 2.62Å; E489-K491 PolarHBondContact OE2-NZ 3.41Å
492G30.9Very low36.3Very low65 Ų65150.2 Ų150.267%0.6775%0.745SS**  trans146.2151.1164.900000112.5
493N36Very low36.4Very low165 Ų165148.5 Ų148.588%0.88274%0.737SS**  cis-147.5167.5-7.8-87.5-44.5000109.8
494N40.7Very low36.7Very low157 Ų157149.3 Ų149.384%0.8474%0.738SS**  trans-86.3144.3172.3-58.8-77.7000111.1
495D41.8Very low37.3Very low141 Ų141148.5 Ų148.575%0.75474%0.741SS**  trans-159.1134.3140.1-94.1-39.5000106.4
496K41.1Very low38.2Very low161 Ų161144.1 Ų144.170%0.773%0.734SS**  58.2130.677.2-78.8162.8152.2-82.70111.9
497E36.5Very low38.7Very low131 Ų131142.4 Ų142.461%0.61273%0.731SS**  cis-163.6160.99.3-140.9169.4-116.100110.9
498K40.9Very low38.9Very low160 Ų160147.7 Ų147.770%0.69674%0.741SS**  trans50.1152.1141-91.8-179.6-179.4-130.50121.6
499E34.7Very low39Very low101 Ų101147.5 Ų147.547%0.47274%0.74SS.*  cis-169.6170.8-1-154.3172.8-119.800108.5
500R40.1Very low38.8Very low207 Ų207149.5 Ų149.578%0.78175%0.749SS**  trans74.9157.3159.2-60.7170.8-152.3-171.25.5120.3
501D37.8Very low39Very low147 Ų147150.6 Ų150.679%0.78675%0.747SS**  cis-171.9169.8-47.1-114.6-52.1000111.8
502A37.2Very low38.2Very low84 Ų84147.4 Ų147.469%0.69476%0.755SS**  trans62.791.1154.800000121.7
503E34.5Very low38.8Very low158 Ų158150 Ų15074%0.73875%0.754SS**  41.5113.6110.2-145.1-150.9160.700120.8
504K34.8Very low39.2Very low172 Ų172152.3 Ų152.375%0.74876%0.756SS**  162.4133.4111.4-87.2179.9-172.9173.30115.7
505D44Very low39.3Very low142 Ų142151.7 Ų151.776%0.75975%0.753SS**  trans-84153.9157.7-137.5-49.7000108.8N507D505-N507 PolarHBondContact OD1-N 2.6Å; D505-N507 VanDerWaalsContact OD1-N 3.07Å
506P51.4Low39.4Very low117 Ų117152.2 Ų152.276%0.7676%0.761SS**  -155.4127.884.836.8-15.2000118
507N42.3Very low39.5Very low136 Ų136155 Ų15573%0.72777%0.773SS**  trans20.9117.5130.3-178.96.3000120.4D505D505-N507 PolarHBondContact OD1-N 2.6Å; D505-N507 VanDerWaalsContact OD1-N 3.07Å
508K36.2Very low39.4Very low210 Ų210152.2 Ų152.291%0.91378%0.78SS**  trans-156.7117.3145.6-124.3173.6-173.1177.30118.1
509K36.2Very low39.3Very low193 Ų193152.3 Ų152.384%0.83979%0.788SS**  trans-32.3140.9154.7-177.6-167.3-164.1-179.50118.8
510E35.3Very low39.6Very low192 Ų192156.6 Ų156.690%0.89781%0.805SS**  trans-159.7174.8133.2-163.4128-140.500112.2
511K38.3Very low39.2Very low176 Ų176150.4 Ų150.477%0.76581%0.806SS**  trans-110.5168.7-174.3-77.8-176155.3-148.10112.7D513K511-D513 IonicContact NZ-OD2 3.56Å; K511-D513 PolarHBondContact NZ-OD2 3.12Å
512G32.1Very low39.2Very low80 Ų80152.7 Ų152.783%0.82581%0.809SS**  trans-156.888159.800000114
513D42.9Very low39.1Very low121 Ų121156.7 Ų156.765%0.64782%0.818SS**  trans-79.6126.8174.4-63.1-65.7000111.1K511K511-D513 IonicContact NZ-OD2 3.56Å; K511-D513 PolarHBondContact NZ-OD2 3.12Å
514K43.4Very low39.5Very low213 Ų213158.5 Ų158.593%0.92682%0.824SS**  trans-144.8145.8158.4-75.8-163178.6174.80112.2
515N44.2Very low39.5Very low144 Ų144157 Ų15777%0.7783%0.829SS**  trans-145.5130.6-166.638.6-100.2000111.4
516T43.4Very low38.9Very low152 Ų152159.5 Ų159.593%0.93383%0.833SS**  trans-124.8153.717746.50000111.2
517K44.2Very low38Very low219 Ų219157 Ų15795%0.95283%0.829SS**  trans-145.5132.8-161.6172.7-170.8175.8-172.90110.6
518G33.3Very low37.6Very low72 Ų72159.3 Ų159.374%0.74283%0.832SS**  trans160.4155.3170.600000111.6
519D38.8Very low37.4Very low162 Ų162158.9 Ų158.987%0.86683%0.825SS**  cis-152.4173.1-22.6-163.613.3000110G521D519-G521 PolarHBondContact O-N 3.48Å
520K40.1Very low37.3Very low191 Ų191157.6 Ų157.683%0.8382%0.822SS**  trans-88.6105-173.5-68.9176.8-179.6170.40113.4
521G33.7Very low37.5Very low78 Ų78153.8 Ų153.880%0.80482%0.816SS**  trans-85126.6156.600000111.8D519D519-G521 PolarHBondContact O-N 3.48Å
522K36.8Very low37.3Very low194 Ų194153.5 Ų153.584%0.84382%0.818SS**  trans-136.8123.4167.7-85.9-172.6177.2179.30109.3
523D35.5Very low37.5Very low168 Ų168155.8 Ų155.890%0.89881%0.809SS**  trans-119.5149.3165.1-97.6-55.6000112.3
524K41.7Very low37Very low197 Ų197157.3 Ų157.386%0.85782%0.818SS**  trans-14694.5-173.9-92.8-168.3168.7-169.90111.9
525V34.8Very low36.3Very low141 Ų141150.4 Ų150.486%0.85581%0.807SS**  trans-148.3145166.5-171.90000109.3
526K33.1Very low35.9Very low193 Ų193151 Ų15184%0.83981%0.805SS**  cis176108-42.6168.4-175.7178.4-176.70109.3
527G30.9Very low35.3Very low65 Ų65151.9 Ų151.967%0.6780%0.796SS**  trans-179.8135.7170.500000109.8
528K35.5Very low34.8Very low185 Ų185145.1 Ų145.180%0.80478%0.777SS**  cis63.5124.747.1-63.8-170.3176-172.70112.1
529R32Very low34.8Very low200 Ų200151 Ų15176%0.75578%0.782SS**  cis-144.2155.5-4.9-97.7176.2170.5149-8.7106.5
530E32.8Very low34.4Very low167 Ų167146.8 Ų146.878%0.7878%0.776SS**  57.5147.370.5-106.1174.4-168.300115.2
531S40.4Very low34.1Very low111 Ų111143.4 Ų143.478%0.77678%0.777SS**  trans70.9152175.771.50000118.3
532E32.7Very low34.1Very low171 Ų171149.1 Ų149.180%0.79978%0.78SS**  cis-167.4-177.2-38.4-133.7173-170.400111.7
533I36.2Very low33.8Very low127 Ų127149.2 Ų149.265%0.65177%0.774SS**  trans-20.3154.4170.150171.1000122.6
534N33.3Very low33.7Very low153 Ų153149.8 Ų149.882%0.81876%0.764SS**  trans74.6153.9159.1-55.1-33000118.3
535G29.7Very low33.4Very low68 Ų68147.8 Ų147.870%0.70176%0.758SS**  cis170.8165.9-9.900000115.1
536E35.2Very low33.4Very low157 Ų157148.4 Ų148.473%0.73476%0.755SS**  trans68.2130.4154.1-162.8156.5-164.400123.6
537K29.8Very low33.8Very low170 Ų170148.4 Ų148.474%0.73976%0.758SS**  trans7.8151.8150.8-49.2162-159.3151.50119.2
538S34.6Very low33.9Very low78 Ų78154.1 Ų154.155%0.54577%0.767SS.*  171.8157.764.857.60000115.1
539K34Very low33.9Very low196 Ų196148.9 Ų148.985%0.85277%0.765SS**  trans62.8144.6159.8-54.2137.3-166.9156.50116.7
540G29.6Very low34Very low73 Ų73144.5 Ų144.575%0.75377%0.766SS**  cis113.9129.5-7.800000115.1
541S34.1Very low34.1Very low120 Ų120142.2 Ų142.284%0.83976%0.763SS**  trans103.1146.7163.4-157.40000119.1
542K34.2Very low33.7Very low198 Ų198141.9 Ų141.986%0.86176%0.756SS**  trans82.9142.2174.3-61.2-175.1-179.4177.50118.8
543R30.8Very low33.8Very low195 Ų195142.2 Ų142.274%0.73676%0.755SS**  170124.7-55170.9-179.9-168.8-170.96.4110.2
544R31.7Very low33.5Very low180 Ų180143.6 Ų143.668%0.67976%0.757SS**  trans78.5126.2157.1-78.2174.3169.7-171.7-5.7121.5
545Q37.1Very low33.3Very low155 Ų155146.6 Ų146.672%0.72476%0.757SS**  57.5129.6126.1-60.9172.7-85.300120.2
546I33.1Very low33.5Very low155 Ų155152.3 Ų152.380%0.79576%0.762SS**  -148.6157.196.2-95.8154.9000108.6E548I546-E548 HydrophobicContact CG2-CG 3.94Å
547Q42.1Very low33.3Very low193 Ų193150 Ų15090%0.90276%0.763SS**  trans-127.5107.6175.4-176-178.129.400107.4
548E32.6Very low33.3Very low184 Ų184150.2 Ų150.286%0.8676%0.764SS**  trans-127141.1171.9-74.4-166.6152.400110.3I546I546-E548 HydrophobicContact CG2-CG 3.94Å
549G37.1Very low33.4Very low75 Ų75152.6 Ų152.677%0.77377%0.771SS**  trans-161.7120.1178.200000110.9
550S33.6Very low33.6Very low109 Ų109151.6 Ų151.676%0.76277%0.767SS**  trans-123.1105.1171.142.60000106.7
551T35.1Very low33.8Very low118 Ų118156.1 Ų156.172%0.72477%0.766SS**  47.2123.580.679.60000111.9
552T31.6Very low34Very low104 Ų104158.3 Ų158.364%0.63876%0.76SS**  -176.6163.48043.30000109.2
553K34.1Very low34.2Very low178 Ų178156.9 Ų156.977%0.77475%0.754SS**  cis-169.2144.1-9.1-112.2164.4-169.9160.80110.1
554K30Very low34.4Very low156 Ų156150.3 Ų150.368%0.67875%0.747SS**  trans69.5153.2142.4-138.1174.7166.8-161.40114.6
555W28.8Very low35.4Very low216 Ų216151.7 Ų151.782%0.81878%0.779SS**  cis-137.316929.1-86.575.9000115.6
556K33.6Very low35.3Very low188 Ų188151.5 Ų151.582%0.81778%0.782SS**  trans-91.3156.3171.2-63.4-178.8171.7-174.10111.4
557S30.8Very low35.4Very low108 Ų108151.3 Ų151.376%0.75578%0.781SS**  trans68149.1147-144.30000114.9
558K31.6Very low35.1Very low176 Ų176149 Ų14977%0.76578%0.775SS**  cis-158.5176.436.3-163.7162.2-175.6179.10112
559D36.8Very low35.2Very low128 Ų128146.9 Ų146.968%0.68477%0.77SS**  trans-55.5150.4172.4-26.5-93.8000112.3
560K37Very low35.1Very low175 Ų175151.4 Ų151.476%0.76177%0.77SS**  172.1144104.5-90.7-170.6-176.2-174.20112.7
561F34.4Very low35.2Very low167 Ų167154.3 Ų154.373%0.73277%0.77SS**  trans46.1128144.9-69-127.3000117.6
562F37.1Very low35.2Very low166 Ų166156.9 Ų156.973%0.72877%0.773SS**  -159.4133.978.4-117.7-115.5000112.6
563K38.8Very low35.5Very low168 Ų168160.9 Ų160.973%0.7378%0.784SS**  trans38.9133.8136.3-59.4-168.3-176.4-177.90121.9
564G36.4Very low35.6Very low57 Ų57159.5 Ų159.559%0.58879%0.785SS**  trans-77.2-146.3147.300000112.6
565P51.8Low36.1Very low209 Ų209159.8 Ų159.8100%1.35779%0.794SS**  cis-65015.228.3-37000114.7

Retrieved 565 of 565 residues in 55.7 ms (Link to these results)