A0A077Z2M8_TRITR Loading...

Cuticle collagen lon 3

AlphaFold DB , UniProt , Accession A0A077Z2M8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 371 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
1M59.2Low84.5Confident203 Ų203115.9 Ų115.9100%162%0.617SS**  0112.50-74.6178.6178.200107.6
2E79.4Confident85Confident138 Ų138111.8 Ų111.865%0.64561%0.611SS**  trans-56.5145.1177.8-77.6-177.49400111.3S4 V5E2-S4 PolarHBondContact O-N 3.12Å; E2-S4 VanDerWaalsContact O-N 3.12Å; E2-V5 HydrophobicContact CB-CG2 4.31Å; E2-V5 PolarHBondContact O-N 2.77Å
3P83Confident85.4Confident104 Ų104107.8 Ų107.868%0.67560%0.597SS**Hα-helixtrans-54.6-30.7177.421.3-31.8000112.5V5 K6 L7P3-V5 VanDerWaalsContact C-N 3.32Å; P3-V5 PolarHBondContact O-N 3.02Å; P3-K6 PolarHBondContact O-N 2.97Å; P3-L7 PolarHBondContact O-N 2.97Å; P3-L7 VanDerWaalsContact O-N 3.1Å
4S86.2Confident85.9Confident76 Ų76102.5 Ų102.553%0.53158%0.579SS.*Hα-helixtrans-57.9-39.8174.8-38.90000113E2 L7 A8E2-S4 PolarHBondContact O-N 3.12Å; E2-S4 VanDerWaalsContact O-N 3.12Å; S4-L7 PolarHBondContact O-N 2.66Å; S4-A8 PolarHBondContact O-N 2.91Å; S4-A8 VanDerWaalsContact O-N 3.08Å
5V87.1Confident86.4Confident83 Ų83104 Ų10450%0.50358%0.584SS.*Hα-helixtrans-71.6-36.6-178.8-178.60000111E2 P3 S9E2-V5 HydrophobicContact CB-CG2 4.31Å; E2-V5 PolarHBondContact O-N 2.77Å; P3-V5 VanDerWaalsContact C-N 3.32Å; P3-V5 PolarHBondContact O-N 3.02Å; V5-S9 PolarHBondContact O-N 2.72Å; V5-S9 VanDerWaalsContact O-N 3.11Å
6K86.4Confident86.8Confident126 Ų12699.7 Ų99.755%0.54857%0.57SS.*Hα-helixtrans-65.2-47.8175.3-68.2-174.7178.6-178.60110.3P3 A8 S9 W10P3-K6 PolarHBondContact O-N 2.97Å; K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.72Å; K6-S9 WeakPolarHBondContact O-CB 3.3Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 VanDerWaalsContact O-N 3.11Å; K6-W10 PolarHBondContact O-N 2.79Å
7L88.6Confident87.1Confident110 Ų11099.3 Ų99.358%0.57657%0.57SS**Hα-helixtrans-58.2-44178.6-175.464.4000111.9P3 S4 S9 W10 L11P3-L7 PolarHBondContact O-N 2.97Å; P3-L7 VanDerWaalsContact O-N 3.1Å; S4-L7 PolarHBondContact O-N 2.66Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; L7-W10 PolarHBondContact O-N 3.31Å; L7-L11 HydrophobicContact CG-CD1 4.27Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 3.21Å
8A88.7Confident87.5Confident58 Ų58101.6 Ų101.648%0.47957%0.573SS.*Hα-helixtrans-60.3-39.9176.100000112.6S4 K6 L11 A12S4-A8 PolarHBondContact O-N 2.91Å; S4-A8 VanDerWaalsContact O-N 3.08Å; K6-A8 VanDerWaalsContact C-N 3.32Å; K6-A8 PolarHBondContact O-N 2.72Å; A8-L11 PolarHBondContact O-N 3Å; A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.26Å
9S88.6Confident87.8Confident78 Ų7898.9 Ų98.955%0.54556%0.564SS.*Hα-helixtrans-67.1-39.6176.9-179.30000112.9V5 K6 L7 A12 S13V5-S9 PolarHBondContact O-N 2.72Å; V5-S9 VanDerWaalsContact O-N 3.11Å; K6-S9 WeakPolarHBondContact O-CB 3.3Å; K6-S9 PolarHBondContact O-N 2.81Å; K6-S9 VanDerWaalsContact O-N 3.11Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; S9-A12 PolarHBondContact O-N 2.75Å; S9-S13 WeakPolarHBondContact O-CB 3.1Å; S9-S13 PolarHBondContact O-N 2.94Å; S9-S13 PolarHBondContact O-OG 3.41Å
10W90.4Very high88.2Confident192 Ų19299.9 Ų99.973%0.72757%0.567SS**Hα-helixtrans-65.1-40.9174.4-80.797.3000112.1K6 L7 S13 G14K6-W10 PolarHBondContact O-N 2.79Å; L7-W10 PolarHBondContact O-N 3.31Å; W10-S13 WeakPolarHBondContact CA-OG 3.38Å; W10-S13 PolarHBondContact O-OG 2.99Å; W10-G14 PolarHBondContact O-N 2.99Å
11L92.2Very high88.5Confident107 Ų10799.9 Ų99.956%0.5657%0.565SS**Hα-helixtrans-67.1-41.6176-68.4174.3000112L7 A8 G14 L15L7-L11 HydrophobicContact CG-CD1 4.27Å; L7-L11 WeakPolarHBondContact O-CG 3.07Å; L7-L11 PolarHBondContact O-N 3.21Å; A8-L11 PolarHBondContact O-N 3Å; L11-G14 PolarHBondContact O-N 2.06Å; L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.78Å
12A90.7Very high90.2Very high66 Ų6692 Ų9255%0.54553%0.532SS..Hα-helixtrans-65.1-42.3178.200000112.4A8 S9 G16A8-A12 WeakPolarHBondContact O-CB 3.15Å; A8-A12 PolarHBondContact O-N 3.26Å; S9-A12 PolarHBondContact O-N 2.75Å; A12-G16 PolarHBondContact O-N 2.84Å
13S90.3Very high90.9Very high60 Ų6089 Ų8942%0.4253%0.526SS..Hα-helixtrans-68.2-39.8175.351.10000112.2S9 W10 G16 T17S9-S13 WeakPolarHBondContact O-CB 3.1Å; S9-S13 PolarHBondContact O-N 2.94Å; S9-S13 PolarHBondContact O-OG 3.41Å; W10-S13 WeakPolarHBondContact CA-OG 3.38Å; W10-S13 PolarHBondContact O-OG 2.99Å; S13-G16 PolarHBondContact O-N 3.36Å; S13-T17 WeakPolarHBondContact O-CG2 3.47Å; S13-T17 PolarHBondContact O-N 3.32Å; S13-T17 PolarHBondContact O-OG1 3.13Å; S13-T17 VanDerWaalsContact O-OG1 3.11Å
14G92Very high91.4Very high34 Ų3490.4 Ų90.435%0.35153%0.527SS..Hα-helixtrans-59.7-48.4173.400000112.9W10 L11 G16 T17 F18W10-G14 PolarHBondContact O-N 2.99Å; L11-G14 PolarHBondContact O-N 2.06Å; G14-G16 PolarHBondContact O-N 2.63Å; G14-T17 PolarHBondContact O-N 3.32Å; G14-T17 PolarHBondContact O-OG1 3.46Å; G14-F18 WeakPolarHBondContact O-CB 2.98Å; G14-F18 PolarHBondContact O-N 2.92Å
15L92.9Very high91.7Very high125 Ų12591.2 Ų91.265%0.65452%0.524SS*.Hα-helixtrans-64.3-39.2176.9-72.7169.3000112.3L11 F18 A19L11-L15 WeakPolarHBondContact O-CB 3.36Å; L11-L15 WeakPolarHBondContact O-CG 3.26Å; L11-L15 PolarHBondContact O-N 2.78Å; L15-F18 PolarHBondContact O-N 3.33Å; L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å
16G92.5Very high92Very high35 Ų3592 Ų9236%0.36152%0.524SS..Hα-helixtrans-63.7-45.6176.600000112.9A12 S13 G14 A19 L20A12-G16 PolarHBondContact O-N 2.84Å; S13-G16 PolarHBondContact O-N 3.36Å; G14-G16 PolarHBondContact O-N 2.63Å; G16-A19 PolarHBondContact O-N 3.29Å; G16-L20 WeakPolarHBondContact O-CG 3.36Å; G16-L20 PolarHBondContact O-N 3.07Å
17T92.2Very high92.2Very high93 Ų9390.4 Ų90.457%0.57153%0.525SS*.Hα-helixtrans-65.5-39.6176.8550000112.2S13 G14 L20 L21S13-T17 WeakPolarHBondContact O-CG2 3.47Å; S13-T17 PolarHBondContact O-N 3.32Å; S13-T17 PolarHBondContact O-OG1 3.13Å; S13-T17 VanDerWaalsContact O-OG1 3.11Å; G14-T17 PolarHBondContact O-N 3.32Å; G14-T17 PolarHBondContact O-OG1 3.46Å; T17-L20 PolarHBondContact O-N 3.07Å; T17-L21 WeakPolarHBondContact O-CB 3.3Å; T17-L21 PolarHBondContact O-N 2.71Å
18F94.3Very high92.4Very high141 Ų14188.6 Ų88.662%0.61852%0.52SS*.Hα-helixtrans-63.9-42.7175.1-175.5-96.3000112.1G14 L15 L20 L21 A22G14-F18 WeakPolarHBondContact O-CB 2.98Å; G14-F18 PolarHBondContact O-N 2.92Å; L15-F18 PolarHBondContact O-N 3.33Å; F18-L20 PolarHBondContact O-N 3.24Å; F18-L21 PolarHBondContact O-N 3.11Å; F18-A22 WeakPolarHBondContact O-CB 3.36Å; F18-A22 PolarHBondContact O-N 3.35Å
19A94.2Very high92.5Very high50 Ų5090.5 Ų90.541%0.41352%0.521SS..Hα-helixtrans-62.2-42.2176.700000112L15 G16 A22 C23L15-A19 WeakPolarHBondContact O-CB 3.23Å; L15-A19 PolarHBondContact O-N 3.5Å; G16-A19 PolarHBondContact O-N 3.29Å; A19-A22 PolarHBondContact O-N 3.26Å; A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 PolarHBondContact O-SG 3.21Å; A19-C23 VanDerWaalsContact O-SG 3.36Å
20L94.5Very high92.6Very high119 Ų11991.5 Ų91.562%0.62352%0.519SS*.Hα-helixtrans-65.6-42.5176.1-70.7174.7000112.2G16 T17 F18 A22 C23 L24G16-L20 WeakPolarHBondContact O-CG 3.36Å; G16-L20 PolarHBondContact O-N 3.07Å; T17-L20 PolarHBondContact O-N 3.07Å; F18-L20 PolarHBondContact O-N 3.24Å; L20-A22 VanDerWaalsContact C-N 3.35Å; L20-C23 PolarHBondContact O-N 3.02Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.89Å
21L95.1Very high92.6Very high100 Ų10089.4 Ų89.452%0.52451%0.512SS..Hα-helixtrans-62.1-44.1175.5-168.684000111.1T17 F18 C23 L24 I25T17-L21 WeakPolarHBondContact O-CB 3.3Å; T17-L21 PolarHBondContact O-N 2.71Å; F18-L21 PolarHBondContact O-N 3.11Å; L21-C23 PolarHBondContact O-N 3.46Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.42Å
22A94.4Very high92.4Very high37 Ų3790.8 Ų90.831%0.30651%0.514SS..Hα-helixtrans-61.6-42.617600000111.4F18 A19 L20 I25 M26F18-A22 WeakPolarHBondContact O-CB 3.36Å; F18-A22 PolarHBondContact O-N 3.35Å; A19-A22 PolarHBondContact O-N 3.26Å; L20-A22 VanDerWaalsContact C-N 3.35Å; A22-I25 PolarHBondContact O-N 3.13Å; A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.01Å; A22-M26 WeakPolarHBondContact O-CG 3.47Å; A22-M26 PolarHBondContact O-N 3.49Å
23C94.2Very high92.3Very high76 Ų7693.1 Ų93.151%0.51451%0.514SS..Hα-helixtrans-60.5-45.6173.4-74.90000112.1A19 L20 L21 I25 M26 T27A19-C23 PolarHBondContact O-N 3.41Å; A19-C23 PolarHBondContact O-SG 3.21Å; A19-C23 VanDerWaalsContact O-SG 3.36Å; L20-C23 PolarHBondContact O-N 3.02Å; L21-C23 PolarHBondContact O-N 3.46Å; C23-I25 PolarHBondContact O-N 3.48Å; C23-M26 PolarHBondContact O-N 3.25Å; C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.42Å; C23-T27 PolarHBondContact O-OG1 3.49Å
24L93.5Very high92.2Very high132 Ų13294.2 Ų94.269%0.69152%0.518SS*.Hα-helixtrans-63.9-27.3179.5-71.9175.3000113.5L20 L21 P28L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.89Å; L21-L24 PolarHBondContact O-N 3.43Å; L24-P28 WeakPolarHBondContact O-CD 3.27Å; L24-P28 VanDerWaalsContact O-CG 3.27Å; L24-P28 WeakPolarHBondContact O-CG 3Å
25I93.2Very high91.7Very high94 Ų9496 Ų9648%0.48252%0.517SS..Hα-helixtrans-85.5-42.2175.6-64.3167.4000111L21 A22 C23 P28 L29L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CG-CD1 4.13Å; L21-I25 WeakPolarHBondContact O-CG1 3.18Å; L21-I25 PolarHBondContact O-N 3.42Å; A22-I25 PolarHBondContact O-N 3.13Å; C23-I25 PolarHBondContact O-N 3.48Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.33Å; I25-P28 WeakPolarHBondContact O-CG 3.31Å; I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å
26M92.6Very high91.5Very high99 Ų9994.1 Ų94.149%0.48851%0.507SS..Hα-helixtrans-73.8-34.8-175.9-68.5-59-6600112.8A22 C23 L29 I30A22-M26 VanDerWaalsContact O-CB 3.29Å; A22-M26 WeakPolarHBondContact O-CB 3.01Å; A22-M26 WeakPolarHBondContact O-CG 3.47Å; A22-M26 PolarHBondContact O-N 3.49Å; C23-M26 PolarHBondContact O-N 3.25Å; M26-L29 PolarHBondContact O-N 3.47Å; M26-L29 HydrophobicContact SD-CD1 4.23Å; M26-I30 HydrophobicContact CB-CD1 4.44Å; M26-I30 WeakPolarHBondContact O-CB 3.46Å; M26-I30 VanDerWaalsContact O-CG1 3.25Å; M26-I30 WeakPolarHBondContact O-CG1 3.35Å; M26-I30 PolarHBondContact O-N 3.38Å
27T91.9Very high91.1Very high93 Ų9396.6 Ų96.657%0.57152%0.515SS*.Hα-helixtrans-58.1-51.1178.5-610000113.4C23 L29 I30 Y31C23-T27 WeakPolarHBondContact O-CB 3.25Å; C23-T27 PolarHBondContact O-N 3.42Å; C23-T27 PolarHBondContact O-OG1 3.49Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.31Å; T27-I30 PolarHBondContact O-N 3.49Å; T27-Y31 VanDerWaalsContact O-CB 3.3Å; T27-Y31 WeakPolarHBondContact O-CB 3.43Å; T27-Y31 PolarHBondContact O-N 3.43Å
28P91.7Very high90.7Very high72 Ų7298.2 Ų98.247%0.46851%0.511SS..Hα-helixtrans-67.9-31.3177.525.3-33.7000113L24 I25 Y31 F32L24-P28 WeakPolarHBondContact O-CD 3.27Å; L24-P28 VanDerWaalsContact O-CG 3.27Å; L24-P28 WeakPolarHBondContact O-CG 3Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.33Å; I25-P28 WeakPolarHBondContact O-CG 3.31Å; P28-Y31 PolarHBondContact O-N 3.47Å; P28-F32 WeakPolarHBondContact O-CB 3.36Å; P28-F32 PolarHBondContact O-N 3.31Å
29L91.1Very high90Very high98 Ų9897 Ų9751%0.51351%0.51SS..Hα-helixtrans-65.2-46.7174.7-70.5174.1000111.6I25 M26 T27 Y31 F32 E33I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 WeakPolarHBondContact O-CG 3.38Å; M26-L29 PolarHBondContact O-N 3.47Å; M26-L29 HydrophobicContact SD-CD1 4.23Å; T27-L29 VanDerWaalsContact C-N 3.34Å; T27-L29 PolarHBondContact O-N 3.31Å; L29-Y31 VanDerWaalsContact C-N 3.32Å; L29-Y31 PolarHBondContact O-N 3.4Å; L29-F32 PolarHBondContact O-N 3.23Å; L29-E33 PolarHBondContact O-N 3.26Å; L29-E33 VanDerWaalsContact O-N 3.09Å
30I90Very high89.5Confident98 Ų98100.3 Ų100.350%0.50352%0.517SS..Hα-helixtrans-64.2-41.1175.4-65.1164.2000110.1M26 T27 F32 E33 V34M26-I30 HydrophobicContact CB-CD1 4.44Å; M26-I30 WeakPolarHBondContact O-CB 3.46Å; M26-I30 VanDerWaalsContact O-CG1 3.25Å; M26-I30 WeakPolarHBondContact O-CG1 3.35Å; M26-I30 PolarHBondContact O-N 3.38Å; T27-I30 PolarHBondContact O-N 3.49Å; I30-F32 VanDerWaalsContact C-N 3.34Å; I30-F32 PolarHBondContact O-N 3.41Å; I30-E33 PolarHBondContact O-N 3.18Å; I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.4Å
31Y90.2Very high88.7Confident149 Ų14999 Ų9958%0.58451%0.51SS*.Hα-helixtrans-61.1-43.6176.8-175.8-96.2000111.6T27 P28 L29 V34 Q35T27-Y31 VanDerWaalsContact O-CB 3.3Å; T27-Y31 WeakPolarHBondContact O-CB 3.43Å; T27-Y31 PolarHBondContact O-N 3.43Å; P28-Y31 PolarHBondContact O-N 3.47Å; L29-Y31 VanDerWaalsContact C-N 3.32Å; L29-Y31 PolarHBondContact O-N 3.4Å; Y31-V34 PolarHBondContact O-N 3.38Å; Y31-Q35 HydrophobicContact CD1-CG 3.92Å; Y31-Q35 HydrophobicContact CE1-CG 3.57Å; Y31-Q35 HydrophobicContact CE2-CG 4.35Å; Y31-Q35 HydrophobicContact CG-CG 4.45Å; Y31-Q35 WeakPolarHBondContact O-CB 3.12Å; Y31-Q35 VanDerWaalsContact O-CG 3.26Å; Y31-Q35 WeakPolarHBondContact O-CG 3.41Å; Y31-Q35 PolarHBondContact O-N 3.29Å; Y31-Q35 PolarHBondContact OH-NE2 3.25Å
32F88.9Confident87.7Confident136 Ų13696.8 Ų96.860%0.59650%0.499SS*.Hα-helixtrans-61.8-45.7177.7-174.7-95.9000112P28 L29 I30 Q35 N36P28-F32 WeakPolarHBondContact O-CB 3.36Å; P28-F32 PolarHBondContact O-N 3.31Å; L29-F32 PolarHBondContact O-N 3.23Å; I30-F32 VanDerWaalsContact C-N 3.34Å; I30-F32 PolarHBondContact O-N 3.41Å; F32-Q35 PolarHBondContact O-N 3.02Å; F32-N36 WeakPolarHBondContact O-CB 3.36Å; F32-N36 PolarHBondContact O-N 3.39Å
33E89.3Confident86.9Confident115 Ų11598.4 Ų98.454%0.53751%0.505SS..Hα-helixtrans-61.9-43.7175.4-71.2-64.3161.200112.1L29 I30 Q35 N36 V37L29-E33 PolarHBondContact O-N 3.26Å; L29-E33 VanDerWaalsContact O-N 3.09Å; I30-E33 PolarHBondContact O-N 3.18Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.26Å; E33-N36 PolarHBondContact O-N 2.93Å; E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.46Å
34V87.9Confident85.8Confident83 Ų8399.2 Ų99.250%0.50350%0.502SS..Hα-helixtrans-63.4-39.9176.7171.30000111.4I30 Y31 R38I30-V34 HydrophobicContact CG2-CG2 4.29Å; I30-V34 WeakPolarHBondContact O-CB 3.48Å; I30-V34 VanDerWaalsContact O-CG2 3.26Å; I30-V34 WeakPolarHBondContact O-CG2 3.39Å; I30-V34 PolarHBondContact O-N 3.4Å; Y31-V34 PolarHBondContact O-N 3.38Å; V34-R38 VanDerWaalsContact O-CB 3.32Å; V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 2.76Å
35Q82.1Confident84.4Confident71 Ų7195.2 Ų95.233%0.33248%0.48SS..Hα-helixtrans-67.4-37.7175.8-70.6-61.4-33.800111.8Y31 F32 E33 R38 L39Y31-Q35 HydrophobicContact CD1-CG 3.92Å; Y31-Q35 HydrophobicContact CE1-CG 3.57Å; Y31-Q35 HydrophobicContact CE2-CG 4.35Å; Y31-Q35 HydrophobicContact CG-CG 4.45Å; Y31-Q35 WeakPolarHBondContact O-CB 3.12Å; Y31-Q35 VanDerWaalsContact O-CG 3.26Å; Y31-Q35 WeakPolarHBondContact O-CG 3.41Å; Y31-Q35 PolarHBondContact O-N 3.29Å; Y31-Q35 PolarHBondContact OH-NE2 3.25Å; F32-Q35 PolarHBondContact O-N 3.02Å; E33-Q35 VanDerWaalsContact C-N 3.34Å; E33-Q35 PolarHBondContact O-N 3.26Å; Q35-R38 PolarHBondContact O-N 3.07Å; Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 2.82Å
36N87.2Confident82.9Confident85 Ų8594.7 Ų94.746%0.45548%0.478SS..Hα-helixtrans-65.3-43.5177.1-160.338.9000111.3F32 E33 L39 E40F32-N36 WeakPolarHBondContact O-CB 3.36Å; F32-N36 PolarHBondContact O-N 3.39Å; E33-N36 PolarHBondContact O-N 2.93Å; N36-L39 PolarHBondContact O-N 3.35Å; N36-E40 PolarHBondContact O-N 3.32Å
37V85.1Confident81.4Confident88 Ų8896.3 Ų96.353%0.53349%0.485SS..Hα-helixtrans-63.9-40.2172.7174.10000111.4E33 L39 E40 L41E33-V37 WeakPolarHBondContact O-CG2 3.43Å; E33-V37 PolarHBondContact O-N 3.46Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-E40 PolarHBondContact O-N 2.86Å; V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 PolarHBondContact O-N 3.41Å
38R83.2Confident79.7Confident126 Ų12698.5 Ų98.548%0.47549%0.486SS..Hα-helixtrans-62.7-42.4176.9-177.8170.4-175154.83.4111.6V34 Q35 L41 D42V34-R38 VanDerWaalsContact O-CB 3.32Å; V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 2.76Å; Q35-R38 PolarHBondContact O-N 3.07Å; R38-L41 PolarHBondContact O-N 3.34Å; R38-D42 IonicContact NE-OD2 3.91Å; R38-D42 WeakPolarHBondContact O-CB 3.45Å; R38-D42 PolarHBondContact O-N 3.42Å
39L80.8Confident77.9Confident116 Ų116101.3 Ų101.361%0.60749%0.491SS*.Hα-helixtrans-62.9-44.7177.4-156.396.3000111Q35 N36 V37 L41 D42 T43Q35-L39 WeakPolarHBondContact O-CB 3.41Å; Q35-L39 PolarHBondContact O-N 2.82Å; N36-L39 PolarHBondContact O-N 3.35Å; V37-L39 VanDerWaalsContact C-N 3.35Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.82Å; L39-D42 PolarHBondContact O-N 3.01Å; L39-T43 WeakPolarHBondContact O-CG2 3.28Å; L39-T43 PolarHBondContact O-N 2.66Å; L39-T43 PolarHBondContact O-OG1 3.38Å
40E82Confident76.2Confident119 Ų119102.2 Ų102.256%0.55650%0.5SS*.Hα-helixtrans-61.1-43.3176.2-166.373.8-17100111.3N36 V37 T43 E44N36-E40 PolarHBondContact O-N 3.32Å; V37-E40 PolarHBondContact O-N 2.86Å; E40-T43 WeakPolarHBondContact CA-OG1 3.31Å; E40-T43 PolarHBondContact O-N 2.79Å; E40-T43 PolarHBondContact O-OG1 2.84Å; E40-E44 WeakPolarHBondContact O-CG 3.22Å; E40-E44 PolarHBondContact O-N 3.44Å
41L77.4Confident74.3Confident91 Ų91103.1 Ų103.148%0.47651%0.506SS..Hα-helixtrans-66.5-40.8177.4-128.978.7000112.3V37 R38 L39 T43 E44 M45V37-L41 WeakPolarHBondContact O-CB 3.36Å; V37-L41 PolarHBondContact O-N 3.41Å; R38-L41 PolarHBondContact O-N 3.34Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 2.82Å; L41-T43 VanDerWaalsContact C-N 3.33Å; L41-E44 PolarHBondContact O-N 3.32Å; L41-M45 VanDerWaalsContact O-CB 3.28Å; L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.27Å
42D75.5Confident72.2Confident54 Ų54103 Ų10329%0.28951%0.51SS..Hα-helixtrans-66.3-36.7177.6-78.3-30.3000110.5R38 L39 M45 D46R38-D42 IonicContact NE-OD2 3.91Å; R38-D42 WeakPolarHBondContact O-CB 3.45Å; R38-D42 PolarHBondContact O-N 3.42Å; L39-D42 PolarHBondContact O-N 3.01Å; D42-M45 PolarHBondContact O-N 3.06Å; D42-D46 WeakPolarHBondContact O-CB 3.46Å; D42-D46 PolarHBondContact O-N 3.44Å
43T76.5Confident70.3Confident72 Ų72101.4 Ų101.444%0.44251%0.511SS..Hα-helixtrans-67-42.4174.249.10000113L39 E40 L41 D46 E47L39-T43 WeakPolarHBondContact O-CG2 3.28Å; L39-T43 PolarHBondContact O-N 2.66Å; L39-T43 PolarHBondContact O-OG1 3.38Å; E40-T43 WeakPolarHBondContact CA-OG1 3.31Å; E40-T43 PolarHBondContact O-N 2.79Å; E40-T43 PolarHBondContact O-OG1 2.84Å; L41-T43 VanDerWaalsContact C-N 3.33Å; T43-D46 PolarHBondContact O-N 2.89Å; T43-E47 PolarHBondContact O-N 3.08Å
44E71.1Confident68.1Low93 Ų93104.4 Ų104.444%0.43553%0.525SS..Hα-helixtrans-64.6-42.2174.5-74.3-79.7150.500110.7E40 L41 D46 E47 F48E40-E44 WeakPolarHBondContact O-CG 3.22Å; E40-E44 PolarHBondContact O-N 3.44Å; L41-E44 PolarHBondContact O-N 3.32Å; E44-D46 PolarHBondContact O-N 2.99Å; E44-E47 WeakPolarHBondContact O-CB 3.42Å; E44-E47 PolarHBondContact O-N 3.49Å; E44-F48 WeakPolarHBondContact O-CD2 2.98Å; E44-F48 PolarHBondContact O-N 2.93Å
45M64.6Low66.2Low47 Ų47104.2 Ų104.223%0.23254%0.541CS..Hα-helixtrans-65.4-36.2176.6-82.2-125.86400113.4L41 D42 F48 K49 W66L41-M45 VanDerWaalsContact O-CB 3.28Å; L41-M45 WeakPolarHBondContact O-CB 3.41Å; L41-M45 VanDerWaalsContact O-CG 3.31Å; L41-M45 WeakPolarHBondContact O-CG 3.36Å; L41-M45 PolarHBondContact O-N 3.27Å; D42-M45 PolarHBondContact O-N 3.06Å; M45-F48 PolarHBondContact O-N 2.93Å; M45-K49 WeakPolarHBondContact O-CG 3.35Å; M45-K49 PolarHBondContact O-N 3.3Å; M45-W66 HydrophobicContact CE-CZ3 4.45Å; M45-W66 HydrophobicContact CG-CH2 4.02Å; M45-W66 HydrophobicContact CG-CZ3 4.18Å; M45-W66 HydrophobicContact SD-CD2 4.31Å; M45-W66 HydrophobicContact SD-CE3 3.55Å; M45-W66 VanDerWaalsContact SD-CE3 3.55Å; M45-W66 HydrophobicContact SD-CH2 3.22Å; M45-W66 WeakPolarHBondContact SD-CH2 3.32Å; M45-W66 HydrophobicContact SD-CZ2 4Å; M45-W66 HydrophobicContact SD-CZ3 2.98Å; M45-W66 WeakPolarHBondContact SD-CZ3 3.38Å
46D62Low64.7Low84 Ų84107.2 Ų107.245%0.44956%0.558SS.*Hα-helixtrans-72.3-31.4174.7-78.2-12.6000111.5D42 T43 E44 K49 V50D42-D46 WeakPolarHBondContact O-CB 3.46Å; D42-D46 PolarHBondContact O-N 3.44Å; T43-D46 PolarHBondContact O-N 2.89Å; E44-D46 PolarHBondContact O-N 2.99Å; D46-K49 PolarHBondContact O-N 2.96Å; D46-K49 IonicContact OD1-NZ 2.82Å; D46-K49 PolarHBondContact OD1-NZ 3.4Å; D46-V50 WeakPolarHBondContact O-CB 3.26Å; D46-V50 WeakPolarHBondContact O-CG2 3.48Å; D46-V50 PolarHBondContact O-N 3.34Å; D46-V50 VanDerWaalsContact O-N 3.07Å
47E60.7Low62.6Low133 Ų133109.6 Ų109.662%0.62157%0.566SS**Hα-helixtrans-62.3-41.4165.4-80.9-158145.200111.9T43 E44 K49 V50 L51T43-E47 PolarHBondContact O-N 3.08Å; E44-E47 WeakPolarHBondContact O-CB 3.42Å; E44-E47 PolarHBondContact O-N 3.49Å; E47-K49 PolarHBondContact O-N 3.25Å; E47-V50 CarbonylContact O-C 3.59Å; E47-V50 PolarHBondContact O-N 3.4Å; E47-V50 VanDerWaalsContact O-N 3.11Å; E47-L51 PolarHBondContact O-N 2.9Å; E47-L51 VanDerWaalsContact O-N 3.1Å
48F56.3Low60.8Low138 Ų138111.2 Ų111.261%0.60558%0.575SS**Hα-helixtrans-64.8-35.8174.3-85.7-72.4000113.1E44 M45 V50 L51E44-F48 WeakPolarHBondContact O-CD2 2.98Å; E44-F48 PolarHBondContact O-N 2.93Å; M45-F48 PolarHBondContact O-N 2.93Å; F48-V50 PolarHBondContact O-N 3.48Å; F48-L51 HydrophobicContact CD1-CD1 4.39Å
49K53.7Low59.1Low132 Ų132112.5 Ų112.557%0.57459%0.585SS**Hα-helixtrans-69.4-23173.2-70.8175.1-158.2149.30112.6M45 D46 E47M45-K49 WeakPolarHBondContact O-CG 3.35Å; M45-K49 PolarHBondContact O-N 3.3Å; D46-K49 PolarHBondContact O-N 2.96Å; D46-K49 IonicContact OD1-NZ 2.82Å; D46-K49 PolarHBondContact OD1-NZ 3.4Å; E47-K49 PolarHBondContact O-N 3.25Å
50V55.1Low57.4Low116 Ų116114.2 Ų114.270%0.70359%0.593SS**Hα-helixtrans-94.9-6.6-177.7176.20000112.4D46 E47 F48 H52D46-V50 WeakPolarHBondContact O-CB 3.26Å; D46-V50 WeakPolarHBondContact O-CG2 3.48Å; D46-V50 PolarHBondContact O-N 3.34Å; D46-V50 VanDerWaalsContact O-N 3.07Å; E47-V50 CarbonylContact O-C 3.59Å; E47-V50 PolarHBondContact O-N 3.4Å; E47-V50 VanDerWaalsContact O-N 3.11Å; F48-V50 PolarHBondContact O-N 3.48Å; V50-H52 PolarHBondContact O-N 3.06Å
51L50.3Low55.9Low118 Ų118111.8 Ų111.862%0.61859%0.594SS**  trans-72.755.1163.5-86.9162.3000112.2E47 F48 V53E47-L51 PolarHBondContact O-N 2.9Å; E47-L51 VanDerWaalsContact O-N 3.1Å; F48-L51 HydrophobicContact CD1-CD1 4.39Å; L51-V53 HydrophobicContact CD2-CG2 4Å; L51-V53 PolarHBondContact O-N 3.11Å; L51-V53 VanDerWaalsContact O-N 3.11Å
52H46Very low54.9Low146 Ų146112 Ų11268%0.67660%0.599SS**  trans-8469.4165.7-137.5-82.6000108.8V50V50-H52 PolarHBondContact O-N 3.06Å
53V49.1Very low54Low102 Ų102115.6 Ų115.662%0.61862%0.618SS**  trans-89.9110.3172.1179.50000108.2L51L51-V53 HydrophobicContact CD2-CG2 4Å; L51-V53 PolarHBondContact O-N 3.11Å; L51-V53 VanDerWaalsContact O-N 3.11Å
54Q44.4Very low53.1Low178 Ų178120 Ų12083%0.83263%0.634SS**SBendtrans50.385.8155.9-62.6177.2-17.200117.1
55G48Very low52.6Low80 Ų80120.8 Ų120.883%0.82564%0.64SS**SBendtrans90.312.7139.200000119.6
56I49.6Very low52.3Low134 Ų134121.6 Ų121.669%0.68764%0.641SS**  trans-131107.3170.4-52.7-180000109.4V58I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 HydrophobicContact CG2-CG2 3.65Å; I56-V58 PolarHBondContact O-N 2.94Å
57E43.4Very low52.2Low135 Ų135124.2 Ų124.263%0.63165%0.651SS**  trans-67.387.8164.6-80.2-160127.100109K59E57-K59 PolarHBondContact O-N 3.43Å; E57-K59 IonicContact OE1-NZ 2.76Å; E57-K59 PolarHBondContact OE1-NZ 3.36Å
58V48.2Very low52.2Low121 Ų121123.6 Ų123.673%0.73365%0.648SS**  trans-86.274.4159.4-171.30000107.1I56I56-V58 VanDerWaalsContact C-N 3.29Å; I56-V58 HydrophobicContact CG2-CG2 3.65Å; I56-V58 PolarHBondContact O-N 2.94Å
59K47.4Very low52.2Low154 Ų154122.3 Ų122.367%0.6765%0.645SS**  trans-93.611178.9-113.2179.2-170158.60113.8E57E57-K59 PolarHBondContact O-N 3.43Å; E57-K59 IonicContact OE1-NZ 2.76Å; E57-K59 PolarHBondContact OE1-NZ 3.36Å
60L45.1Very low52.3Low151 Ų151119.4 Ų119.479%0.79163%0.634SS**SBendtrans-133.1102.7-172.8-72.296.1000110.7
61A50.4Low52.4Low68 Ų68117.3 Ų117.356%0.56263%0.625SS**SBendtrans156.7-24148.300000112.7L65A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.16Å
62T55.5Low52.1Low96 Ų96120.3 Ų120.359%0.58963%0.633SS**Hα-helixtrans-77.3-26.2-168.6460000114.2W66T62-W66 WeakPolarHBondContact O-CB 3.25Å; T62-W66 PolarHBondContact O-N 3.46Å
63N57.4Low52.3Low129 Ų129119.8 Ų119.869%0.6964%0.641SS**Hα-helixtrans-73.7-36.1175.9-71.1-25.9000112.7E67N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.13Å; N63-E67 PolarHBondContact O-N 2.83Å
64E57.7Low51.8Low164 Ų164117 Ų11777%0.76663%0.632SS**Hα-helixtrans-71.3-43174.8-70.4-171.7157.600111W66 E67 E68E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 2.99Å; E64-E67 PolarHBondContact O-N 3.09Å; E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.1Å
65L59Low51.6Low110 Ų110114.9 Ų114.958%0.57663%0.634SS**Hα-helixtrans-67.8-31.1177.1-158.382.3000112.4A61 M69A61-L65 WeakPolarHBondContact O-CB 3.29Å; A61-L65 PolarHBondContact O-N 3.02Å; A61-L65 VanDerWaalsContact O-N 3.16Å; L65-M69 WeakPolarHBondContact O-CB 3.33Å; L65-M69 PolarHBondContact O-N 2.84Å
66W58.6Low51.1Low65 Ų65122.8 Ų122.825%0.24664%0.639CS.*Hα-helixtrans-74.7-41.8176.4-172.5-102.8000111.9M45 T62 E64 E68 M69 M70M45-W66 HydrophobicContact CE-CZ3 4.45Å; M45-W66 HydrophobicContact CG-CH2 4.02Å; M45-W66 HydrophobicContact CG-CZ3 4.18Å; M45-W66 HydrophobicContact SD-CD2 4.31Å; M45-W66 HydrophobicContact SD-CE3 3.55Å; M45-W66 VanDerWaalsContact SD-CE3 3.55Å; M45-W66 HydrophobicContact SD-CH2 3.22Å; M45-W66 WeakPolarHBondContact SD-CH2 3.32Å; M45-W66 HydrophobicContact SD-CZ2 4Å; M45-W66 HydrophobicContact SD-CZ3 2.98Å; M45-W66 WeakPolarHBondContact SD-CZ3 3.38Å; T62-W66 WeakPolarHBondContact O-CB 3.25Å; T62-W66 PolarHBondContact O-N 3.46Å; E64-W66 VanDerWaalsContact C-N 3.31Å; E64-W66 PolarHBondContact O-N 2.99Å; W66-E68 VanDerWaalsContact C-N 3.29Å; W66-M69 HydrophobicContact CD2-CE 4.44Å; W66-M69 HydrophobicContact CE3-CE 3.36Å; W66-M69 HydrophobicContact CH2-CE 4.36Å; W66-M69 HydrophobicContact CZ3-CE 3.27Å; W66-M69 PolarHBondContact O-N 3.31Å; W66-M70 HydrophobicContact CD2-CE 4.36Å; W66-M70 HydrophobicContact CD2-CG 4.32Å; W66-M70 HydrophobicContact CG-CG 4.43Å; W66-M70 HydrophobicContact CH2-CE 3.55Å; W66-M70 HydrophobicContact CZ2-CE 3.15Å; W66-M70 HydrophobicContact CZ3-CE 4.27Å; W66-M70 WeakPolarHBondContact O-CB 3.39Å; W66-M70 VanDerWaalsContact O-CG 3.28Å; W66-M70 WeakPolarHBondContact O-CG 3.46Å; W66-M70 PolarHBondContact O-N 2.58Å
67E61.1Low50.6Low139 Ų139125.3 Ų125.365%0.6565%0.648SS**Hα-helixtrans-62.3-38169.5-73.8-74.7147.700110.6N63 E64 S71N63-E67 WeakPolarHBondContact O-CB 3.45Å; N63-E67 VanDerWaalsContact O-CG 3.23Å; N63-E67 WeakPolarHBondContact O-CG 3.13Å; N63-E67 PolarHBondContact O-N 2.83Å; E64-E67 PolarHBondContact O-N 3.09Å; E67-S71 WeakPolarHBondContact O-CA 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.77Å; E67-S71 PolarHBondContact O-OG 3.44Å
68E59.6Low50.2Low120 Ų120129.9 Ų129.956%0.56166%0.659SS**Hα-helixtrans-68.9-41175.3-156.4176.7-165.600112E64 W66 S71 F72E64-E68 VanDerWaalsContact O-CB 3.25Å; E64-E68 WeakPolarHBondContact O-CB 3.36Å; E64-E68 PolarHBondContact O-N 3.1Å; W66-E68 VanDerWaalsContact C-N 3.29Å; E68-S71 WeakPolarHBondContact CA-OG 3.19Å; E68-S71 PolarHBondContact O-OG 3.07Å; E68-S71 VanDerWaalsContact O-OG 3.08Å; E68-F72 WeakPolarHBondContact O-CD2 3.37Å; E68-F72 PolarHBondContact O-N 3.43Å
69M55.8Low49.5Very low110 Ų110134.6 Ų134.654%0.54266%0.664SS.*Hα-helixtrans-75-32.6178.7-169.4173.670.300113L65 W66 F72L65-M69 WeakPolarHBondContact O-CB 3.33Å; L65-M69 PolarHBondContact O-N 2.84Å; W66-M69 HydrophobicContact CD2-CE 4.44Å; W66-M69 HydrophobicContact CE3-CE 3.36Å; W66-M69 HydrophobicContact CH2-CE 4.36Å; W66-M69 HydrophobicContact CZ3-CE 3.27Å; W66-M69 PolarHBondContact O-N 3.31Å; M69-F72 WeakPolarHBondContact O-CB 3.43Å
70M56.2Low48.9Very low71 Ų71136.7 Ų136.735%0.3568%0.676SS.*Hα-helixtrans-83.6-25.5175-71.3-71.3-175.800112.5W66 F72 T73W66-M70 HydrophobicContact CD2-CE 4.36Å; W66-M70 HydrophobicContact CD2-CG 4.32Å; W66-M70 HydrophobicContact CG-CG 4.43Å; W66-M70 HydrophobicContact CH2-CE 3.55Å; W66-M70 HydrophobicContact CZ2-CE 3.15Å; W66-M70 HydrophobicContact CZ3-CE 4.27Å; W66-M70 WeakPolarHBondContact O-CB 3.39Å; W66-M70 VanDerWaalsContact O-CG 3.28Å; W66-M70 WeakPolarHBondContact O-CG 3.46Å; W66-M70 PolarHBondContact O-N 2.58Å; M70-F72 PolarHBondContact O-N 3.1Å; M70-T73 PolarHBondContact O-OG1 3.47Å
71S56.8Low48.5Very low73 Ų73133.2 Ų133.251%0.5167%0.669SS.*G310 helixtrans-77.2-3170.863.60000113.5E67 E68 T73 G74E67-S71 WeakPolarHBondContact O-CA 3.48Å; E67-S71 WeakPolarHBondContact O-CB 3.42Å; E67-S71 PolarHBondContact O-N 2.77Å; E67-S71 PolarHBondContact O-OG 3.44Å; E68-S71 WeakPolarHBondContact CA-OG 3.19Å; E68-S71 PolarHBondContact O-OG 3.07Å; E68-S71 VanDerWaalsContact O-OG 3.08Å; S71-T73 PolarHBondContact O-N 2.84Å; S71-G74 PolarHBondContact O-N 3.11Å
72F44.3Very low47.7Very low180 Ų180140.7 Ų140.779%0.78969%0.685SS**G310 helixtrans-67.76.6171.1-114-85.7000114.7E68 M69 M70E68-F72 WeakPolarHBondContact O-CD2 3.37Å; E68-F72 PolarHBondContact O-N 3.43Å; M69-F72 WeakPolarHBondContact O-CB 3.43Å; M70-F72 PolarHBondContact O-N 3.1Å
73T50.2Low46.6Very low136 Ų136140.2 Ų140.283%0.83470%0.698SS**G310 helixtrans-92.36.4162.1590000113.8M70 S71M70-T73 PolarHBondContact O-OG1 3.47Å; S71-T73 PolarHBondContact O-N 2.84Å
74G39.7Very low45.8Very low43 Ų43141.6 Ų141.644%0.44370%0.704SS.*SBendtrans-70156.6169.200000112.8S71 R76S71-G74 PolarHBondContact O-N 3.11Å; G74-R76 PolarHBondContact O-N 2.94Å
75P39.1Very low44.9Very low134 Ų134138.6 Ų138.687%0.8770%0.699SS**  trans-57.6111.6-169.122.2-30.4000110.8E77P75-E77 PolarHBondContact O-N 3.14Å
76R38.5Very low43.9Very low245 Ų245139.3 Ų139.393%0.92571%0.71SS**  trans-45.398.6174.5-133.5176.2179.9156.4-0.3109.5G74 R78G74-R76 PolarHBondContact O-N 2.94Å; R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 2.73Å
77E39.8Very low43.3Very low188 Ų188141.4 Ų141.488%0.87974%0.735SS**  trans-68.896.6174.4-154.6165.2-169.700107.4P75 R79P75-E77 PolarHBondContact O-N 3.14Å; E77-R79 PolarHBondContact O-N 2.98Å
78R33.6Very low42.4Very low231 Ų231140.6 Ų140.687%0.87274%0.741SS**  trans-58.198.9177.1-175.1-164.4-59.9-142.42.4108.7R76R76-R78 VanDerWaalsContact C-N 3.29Å; R76-R78 PolarHBondContact O-N 2.73Å
79R33.2Very low41.4Very low219 Ų219143.7 Ų143.783%0.82676%0.756SS**  trans-168.2139.7156.4-102.7161.6-141.6-118.910.3109.3E77E77-R79 PolarHBondContact O-N 2.98Å
80Q36.4Very low41.1Very low199 Ų199144.6 Ų144.693%0.9377%0.77SS**SBendtrans92.448172.4-47.3-177.515.700118.2
81A35.3Very low40.3Very low78 Ų78145.6 Ų145.665%0.64578%0.784SS**SBendtrans-159.9126.1141.900000106.8
82Y34.8Very low39.2Very low225 Ų225149.8 Ų149.888%0.88280%0.801SS**SBendtrans77.379.1-179.2-49.1-79.1000117.1I84Y82-I84 PolarHBondContact O-N 3.23Å
83G31.8Very low38.7Very low85 Ų85144.3 Ų144.388%0.87680%0.795SS**  51.855.8123.800000121.9
84I41Very low38.3Very low158 Ų158148.9 Ų148.981%0.8180%0.799SS**  trans-134.5123.4163.8-52.4178000109.9Y82Y82-I84 PolarHBondContact O-N 3.23Å
85P37.9Very low38Very low102 Ų102150.6 Ų150.666%0.66282%0.816SS**PPolyproline II helixtrans-75155.7-175.631.6-34.5000112.2S87P85-S87 PolarHBondContact O-N 3.39Å
86P39.2Very low38.2Very low124 Ų124153 Ų15381%0.80582%0.816SS**PPolyproline II helixtrans-74.8125-176.230.8-32.2000110.7
87S46.2Very low38.2Very low110 Ų110146.5 Ų146.577%0.76981%0.805SS**PPolyproline II helixtrans-95151168.3-68.10000111.2P85P85-S87 PolarHBondContact O-N 3.39Å
88P41.1Very low38.3Very low121 Ų121143.5 Ų143.579%0.78681%0.805SS**PPolyproline II helixtrans-84.4152.3-148.633.4-33.6000113.3
89Q39.7Very low38.8Very low185 Ų185138.3 Ų138.386%0.86480%0.798SS**PPolyproline II helixtrans-66.5137.2172.8-65.8-156.5-46.200110.8S91Q89-S91 PolarHBondContact O-N 3.47Å
90P49.1Very low39Very low129 Ų129135.2 Ų135.284%0.83879%0.793SS**  trans-78.6110.5166.830.9-27.6000108.8
91S38.8Very low39Very low92 Ų92133.8 Ų133.864%0.64379%0.786SS**  trans-63.8147.5159.650.40000111Q89Q89-S91 PolarHBondContact O-N 3.47Å
92D34.1Very low39.1Very low162 Ų162133.1 Ų133.187%0.86679%0.788SS**  trans63.6118.4151.8-50.7-34.4000119.4
93G34.2Very low39.4Very low65 Ų65134.6 Ų134.667%0.6779%0.791SS**  trans165.2121.9152.600000115.6
94Y40.6Very low39.6Very low232 Ų232134 Ų13491%0.9179%0.785SS**  trans97.467162.9-57.9-76.3000118.7
95G34.4Very low39.5Very low78 Ų78138.3 Ų138.380%0.80479%0.791SS**  trans-89.1134134.600000110.3
96Q43Very low39.9Very low185 Ų185142 Ų14286%0.86480%0.802SS**  trans-104.8155.5161.8-94.9-160.1-50.200110.1
97P38.2Very low40.3Very low109 Ų109141.6 Ų141.671%0.70880%0.799SS**  trans-93.7149.5-138.635.4-34000113.1
98S42.2Very low40.4Very low125 Ų125143.4 Ų143.487%0.87481%0.806SS**  trans-135.3111.8159.8-57.50000108.6
99V43.9Very low40.4Very low121 Ų121141 Ų14173%0.73380%0.804SS**  trans-65.3131.3-175.4162.60000110.8
100H37.2Very low40.5Very low155 Ų155138 Ų13872%0.71880%0.803SS**  trans51.6143.5147.1-74.8-108.2000118.4
101E37.5Very low40.4Very low168 Ų168138.2 Ų138.279%0.78580%0.801SS**  cis-168.8133.517.7-140155.8103.400103.3
102G36.7Very low40.9Very low65 Ų65139.7 Ų139.767%0.6781%0.809SS**  106.9118.193.400000113.5
103R41.1Very low41.1Very low255 Ų255135.3 Ų135.396%0.96280%0.802SS**  trans77.3127.8162.5-50.5-179.1-169.3-157.92.5116.1
104G35.8Very low41.3Very low72 Ų72138.2 Ų138.274%0.74281%0.806SS**  cis128.6111.910.600000110.1
105R39.6Very low41.2Very low249 Ų249135.2 Ų135.294%0.9481%0.805SS**  trans172.2110.9137-100.9-179.8-165-142.82.5113.7
106M45.3Very low41.1Very low181 Ų181134 Ų13489%0.89279%0.793SS**  44.1135.5129.9-62.4-69.9-175.900122.7
107P48.3Very low41Very low114 Ų114131.8 Ų131.874%0.7479%0.792SS**  trans-111.3164.8173.941.3-31.2000114
108T47.1Very low41.1Very low148 Ų148132.9 Ų132.991%0.90880%0.797SS**  trans-159.1123.1153.745.50000108.2
109G41.2Very low40.9Very low72 Ų72130.9 Ų130.974%0.74280%0.796SS**  103.8143.588.700000109.1
110S41.9Very low40.5Very low121 Ų121128.6 Ų128.685%0.84680%0.797SS**  cis-164.5148.23.1-73.20000109.2
111V48.1Very low40.5Very low134 Ų134130.6 Ų130.681%0.81280%0.803SS**  trans-50.1-172.2162.2-88.50000116.5
112P47.5Very low40.4Very low122 Ų122128.6 Ų128.679%0.79280%0.803SS**  -146-169.8-58.245-26.9000113.8
113G38.5Very low40.4Very low70 Ų70129.9 Ų129.972%0.72281%0.807SS**  trans109.7159.4147.400000117.4
114V40Very low40.7Very low127 Ų127124 Ų12477%0.7780%0.802SS**  cis176.9146.9-5.9114.30000106.9
115L37.5Very low40.8Very low168 Ų168123.7 Ų123.788%0.8880%0.799SS**  trans57.2150.6159.5-8177000119.2
116G33.5Very low40.6Very low53 Ų53117.5 Ų117.555%0.54679%0.793SS.*  cis147.4139.97.100000109.8
117T39.3Very low40.5Very low138 Ų138115 Ų11585%0.84779%0.788SS**  trans65.8154.5151.180.50000118.1
118T41.2Very low40Very low133 Ų133115.1 Ų115.182%0.81679%0.791SS**  cis-168160.526.334.10000110.4
119G37.9Very low39.5Very low83 Ų83112 Ų11286%0.85679%0.789SS**  trans82.4137.6144.600000118.1
120G34.9Very low39.3Very low72 Ų72111.8 Ų111.874%0.74279%0.786SS**  cis129.4121.911.200000111.5
121K37.4Very low39.5Very low197 Ų197114.3 Ų114.386%0.85779%0.787SS**  trans98.3125.8147.4-61.4-175174.4-178.40122.3
122T36.4Very low39.1Very low126 Ų126116.2 Ų116.277%0.77379%0.787SS**  trans80.9104.3130.147.10000123.1
123A36.1Very low38.5Very low92 Ų92115.9 Ų115.976%0.7679%0.787SS**  25.6173.7113.100000121.8
124P47.4Very low38.7Very low133 Ų133118 Ų11886%0.86479%0.789SS**  cis-136-177.6-44.736.1-17.2000113.4
125G37.4Very low38.5Very low65 Ų65116.2 Ų116.267%0.6779%0.787SS**  trans169.6113.9163.500000112.2
126S35.7Very low38.6Very low118 Ų118115.5 Ų115.583%0.82578%0.783SS**  52.1130.897.9-70.10000112.6
127V42.2Very low38.9Very low130 Ų130120.7 Ų120.779%0.78880%0.798SS**  -170.8132.960.8-132.50000109.1
128S38.2Very low38.8Very low115 Ų115119.6 Ų119.680%0.80479%0.793SS**  81.6134.4111.566.50000120.9
129G38.2Very low39Very low83 Ų83121.8 Ų121.886%0.85679%0.794SS**  trans120.6116.915200000112.7
130G36.8Very low39.1Very low67 Ų67123.5 Ų123.569%0.69179%0.788SS**  cis138.6139.211.600000107.8
131M44.5Very low39.3Very low174 Ų174127.6 Ų127.686%0.85779%0.79SS**  trans74.1139.3161.7-68.2152.9153.600117
132E39.9Very low39.4Very low175 Ų175127.6 Ų127.682%0.81879%0.79SS**  cis-167.6151.96.2-105.5163.2118.900108
133S35.1Very low39.3Very low114 Ų114125.2 Ų125.280%0.79779%0.79SS**  trans-109.4-173.5167.9-124.60000107
134P43.8Very low39.6Very low116 Ų116125.7 Ų125.775%0.75379%0.789SS**  cis-139.3-170-21.334.3-12.7000113.3
135A35.3Very low39.3Very low88 Ų88127.1 Ų127.173%0.72778%0.783SS**  trans78.5128.6147.800000120.3
136L39.5Very low39.5Very low154 Ų154133.2 Ų133.281%0.80679%0.792SS**  trans172.496.7131.6-86.4172.4000107.9
137L39.4Very low39.6Very low161 Ų161131.3 Ų131.384%0.84379%0.791SS**  83132.1109.2-71.3-178.8000116.3
138P38.6Very low39.7Very low115 Ų115133.8 Ų133.875%0.74779%0.794SS**  trans-105.6153-178.139.2-29.9000113.6
139E45.2Very low39.8Very low180 Ų180134 Ų13484%0.84180%0.796SS**  trans-131.5104.4164.9-71.3-154.7114.800108.5
140T38.5Very low39.7Very low119 Ų119136.6 Ų136.673%0.7379%0.789SS**  66.5126.410563.40000114.6
141M40.8Very low40Very low158 Ų158139.8 Ų139.878%0.77880%0.795SS**  trans170.5115.7132.6-83.3-79.1-162.800110.5
142F38.3Very low39.5Very low196 Ų196137.4 Ų137.486%0.8679%0.79SS**  trans62.1110.9150.1-74.5-99.8000119
143G34.4Very low39.8Very low76 Ų76135.3 Ų135.378%0.78479%0.789SS**  106.9125.266.900000106.5
144S41.4Very low40Very low103 Ų103134.1 Ų134.172%0.7279%0.786SS**  cis-167.7125.941.2470000107.2
145E41.6Very low39.8Very low162 Ų162135 Ų13576%0.75779%0.791SS**  87.3130104.9-71.1-167.6105.900117.4
146F42.1Very low39.9Very low193 Ų193134.1 Ų134.185%0.84679%0.792SS**  trans91.6108.3161.5-64.4-75.3000121.2
147G38.8Very low40.1Very low78 Ų78133.3 Ų133.380%0.80479%0.792SS**  trans133.674.1132.200000117
148E42.7Very low40.2Very low183 Ų183129.5 Ų129.586%0.85578%0.784SS**  trans-53141.3174.9-66.4161.798.900115.3
149S40.5Very low40.4Very low120 Ų120136.2 Ų136.284%0.83980%0.795SS**  -161.4112.6122.4-168.70000110.5
150L36.4Very low40.5Very low137 Ų137135.7 Ų135.772%0.71779%0.792SS**  trans-53.9134.5172.8-90.678.9000112.7
151V42.2Very low41Very low134 Ų134138.8 Ų138.881%0.81280%0.796SS**  trans-141.6111.1136.7-176.30000109.1V153V151-V153 HydrophobicContact CG1-CG2 4.2Å
152T34.7Very low41.2Very low124 Ų124137 Ų13776%0.76180%0.796SS**  trans-77.7118.7172.9-51.80000110.2
153V45.5Very low41.6Very low131 Ų131134.6 Ų134.679%0.79479%0.79SS**  trans-142.2138161-172.70000110.1V151V151-V153 HydrophobicContact CG1-CG2 4.2Å
154A40.4Very low41.9Very low88 Ų88135.8 Ų135.873%0.72779%0.785SS**  trans-52.9162.3-166.300000118.6
155P40Very low42.1Very low134 Ų134142.6 Ų142.687%0.8780%0.795SS**SBendtrans-84.1131.3-174.634.1-30.5000111.3
156G38Very low42.3Very low71 Ų71138.5 Ų138.573%0.73278%0.784SS**  trans140.556165.400000115.9
157V42.9Very low42.4Very low136 Ų136134.2 Ų134.282%0.82477%0.77SS**  trans-148.7136.3162.1-173.10000109.9
158A42.3Very low43Very low81 Ų81135.3 Ų135.367%0.66976%0.763SS**  trans-16.2136.3174.200000118.3Q160A158-Q160 PolarHBondContact O-N 2.87Å
159R42.2Very low43.4Very low256 Ų256130.2 Ų130.297%0.96675%0.752SS**  trans-49.8101.5166.8-68.9-175.4178.6-160-0.7110.3K161R159-K161 PolarHBondContact O-N 3.43Å
160Q46.6Very low43.8Very low169 Ų169131.3 Ų131.379%0.7974%0.744SS**  trans-77.4116168.1-71.3178.25.300107.7A158A158-Q160 PolarHBondContact O-N 2.87Å
161K48.5Very low44.2Very low185 Ų185128 Ų12880%0.80474%0.736SS**  trans-54.1142.4161.2-81.5179.2173.1-173.60108.2R159 I163R159-K161 PolarHBondContact O-N 3.43Å; K161-I163 PolarHBondContact O-N 3.03Å
162P46.1Very low44.2Very low120 Ų120131 Ų13178%0.77974%0.738SS**  trans-59.8108.9174.425.4-32.1000108.4C164P162-C164 PolarHBondContact O-N 3.34Å
163I47.2Very low44.6Very low145 Ų145134 Ų13474%0.74474%0.741SS**  trans-72.298.2173.8-60.2172.8000105.9K161 R165K161-I163 PolarHBondContact O-N 3.03Å; I163-R165 PolarHBondContact O-N 2.89Å
164C39.9Very low44.2Very low101 Ų101131.6 Ų131.668%0.68273%0.729SS**  trans-57.5111.5164-68.90000107.8P162 C166P162-C164 PolarHBondContact O-N 3.34Å; C164-C166 PolarHBondContact O-N 3.27Å
165R45.2Very low44.3Very low246 Ų246132.1 Ų132.193%0.92873%0.725SS**  trans-71.865.8170.3-82.9-176.6167.7167.1-2.5109.6I163I163-R165 PolarHBondContact O-N 2.89Å
166C45.5Very low44.3Very low77 Ų77130 Ų13052%0.5272%0.719SS.*  trans-105.4128.3172.2-66.80000108.9C164 P168C164-C166 PolarHBondContact O-N 3.27Å; C166-P168 WeakPolarHBondContact O-CD 3.44Å
167N45.9Very low44.5Very low102 Ų102127.7 Ų127.755%0.54570%0.695SS.*  trans-60.1120.1173.7-171.1-7.7000108.3A169 Q170N167-A169 PolarHBondContact O-N 2.92Å; N167-Q170 PolarHBondContact O-N 3.21Å
168P51.2Low44.2Very low102 Ų102126.9 Ų126.966%0.66269%0.692SS**THydrogen-bonded Turntrans-57.3-19.4-173.617.1-29.5000113.7C166 Q170C166-P168 WeakPolarHBondContact O-CD 3.44Å; P168-Q170 PolarHBondContact O-N 3.05Å
169A50Low44.1Very low75 Ų75128.5 Ų128.562%0.6270%0.696SS**THydrogen-bonded Turntrans-70.3-22.4175.200000114.9N167N167-A169 PolarHBondContact O-N 2.92Å
170Q48.7Very low43.9Very low144 Ų144117.8 Ų117.867%0.67367%0.665SS**THydrogen-bonded Turntrans-99.5-19.6-179-66.9-17614.900113.4N167 P168 K172 K173N167-Q170 PolarHBondContact O-N 3.21Å; P168-Q170 PolarHBondContact O-N 3.05Å; Q170-K172 PolarHBondContact O-N 3.37Å; Q170-K173 PolarHBondContact O-N 2.93Å
171A44.3Very low43.5Very low67 Ų67115.5 Ų115.555%0.55467%0.665SS**G310 helixtrans-63.1-22.7177.900000113.5K173A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.38Å
172K42.7Very low42.9Very low197 Ų197114.9 Ų114.986%0.85766%0.662SS**G310 helixtrans-74.4-4178.9-67.4-168.6176.6-165.70114.9Q170Q170-K172 PolarHBondContact O-N 3.37Å
173K44.2Very low42.5Very low187 Ų187110.9 Ų110.981%0.81364%0.643SS**G310 helixtrans-108.9-1.9-173.1-81.5-177.9179.8-176.80115.8Q170 A171Q170-K173 PolarHBondContact O-N 2.93Å; A171-K173 VanDerWaalsContact C-N 3.26Å; A171-K173 PolarHBondContact O-N 3.38Å
174C36.2Very low42.1Very low80 Ų80112.1 Ų112.154%0.54165%0.646SS.*SBendtrans-83.5123.8175.1-580000109.6A176C174-A176 PolarHBondContact O-N 3.48Å
175P43.1Very low42Very low99 Ų99117.3 Ų117.364%0.64365%0.651SS**PPolyproline II helixtrans-62.8132.2169.527.6-31.5000108.8G177P175-G177 PolarHBondContact O-N 3.33Å
176A40.6Very low41.5Very low91 Ų91107 Ų10775%0.75262%0.621SS**PPolyproline II helixtrans-58.9131176.500000110.2C174C174-A176 PolarHBondContact O-N 3.48Å
177G40.6Very low41.1Very low22 Ų22111.6 Ų111.623%0.22764%0.635CS.*PPolyproline II helixtrans-59162172.800000112.3P175P175-G177 PolarHBondContact O-N 3.33Å
178P36.7Very low40.8Very low119 Ų119110.6 Ų110.677%0.77363%0.634SS**PPolyproline II helixtrans-58.7143.7-18024.9-33.2000111G180P178-G180 PolarHBondContact O-N 2.92Å
179P40.1Very low40Very low115 Ų115107.1 Ų107.175%0.74762%0.616SS**PPolyproline II helixtrans-54.4134.9175.9-25.233.8000111.7
180G38.1Very low39.5Very low31 Ų31112.6 Ų112.632%0.3263%0.629SS.*PPolyproline II helixtrans-61.2163.217600000113P178P178-G180 PolarHBondContact O-N 2.92Å
181P38Very low39Very low120 Ų120111.3 Ų111.378%0.77963%0.627SS**PPolyproline II helixtrans-59142.8177.726.1-33.8000110.9G183P181-G183 PolarHBondContact O-N 3.37Å
182K37.1Very low38.6Very low173 Ų173109.4 Ų109.475%0.75261%0.613SS**PPolyproline II helixtrans-63129.2177.5-171175.9-178.7176.50109.6
183G37.4Very low38.4Very low36 Ų36104.9 Ų104.937%0.37160%0.604SS.*PPolyproline II helixtrans-57.2149.917700000112.6P181P181-G183 PolarHBondContact O-N 3.37Å
184Q39.2Very low38Very low171 Ų17199.6 Ų99.680%0.79959%0.591SS**PPolyproline II helixtrans-62.9151.2178.7-61.6-173.340.300110.9G186Q184-G186 PolarHBondContact O-N 3.33Å
185R37.9Very low37.8Very low210 Ų21097.1 Ų97.179%0.79258%0.579SS**PPolyproline II helixtrans-66.2129.1173.9-177.8-172.9-70.5-177.1-2108.3V240R185-V240 HydrophobicContact CG-CG1 4.05Å
186G33.4Very low37.7Very low29 Ų29101.2 Ų101.230%0.29959%0.59SS.*PPolyproline II helixtrans-60.4149.7174.400000111.9Q184Q184-G186 PolarHBondContact O-N 3.33Å
187E38.7Very low37.7Very low173 Ų173101 Ų10181%0.80858%0.581SS**PPolyproline II helixtrans-60.1144.6175.2-67-163.1115.200110.9
188P38.6Very low37.4Very low82 Ų82101.8 Ų101.853%0.53259%0.589SS.*PPolyproline II helixtrans-54.7141.1172.7-23.133.6000111.3Q237P188-Q237 VanDerWaalsContact CB-NE2 3.3Å
189G35Very low37.5Very low28 Ų28105.5 Ų105.529%0.28959%0.592SS.*PPolyproline II helixtrans-59.2147.3175.700000111.4Q237G189-Q237 PolarHBondContact O-NE2 2.87Å; G189-Q237 VanDerWaalsContact O-NE2 3.13Å
190Q38.6Very low37.4Very low190 Ų190103.5 Ų103.589%0.88859%0.586SS**PPolyproline II helixtrans-61.1141.3171.2-67179.3-8.400109.7G192Q190-G192 PolarHBondContact O-N 2.84Å
191D39.7Very low37.2Very low118 Ų118104.4 Ų104.463%0.63160%0.595SS**PPolyproline II helixtrans-58.2137.8175.6-64.5-37000110.2
192G34.7Very low37.2Very low26 Ų26108.3 Ų108.327%0.26859%0.594SS.*PPolyproline II helixtrans-62155.3177.500000111.7Q190Q190-G192 PolarHBondContact O-N 2.84Å
193P38.1Very low37.1Very low102 Ų102105 Ų10566%0.66258%0.584SS**PPolyproline II helixtrans-57.6142.8175.226-33.8000110.5G195 M335P193-G195 PolarHBondContact O-N 3.44Å; P193-M335 HydrophobicContact CG-SD 4.17Å
194S36.8Very low37.1Very low77 Ų77108.5 Ų108.554%0.53861%0.61SS.*PPolyproline II helixtrans-58.2136.5173.6-166.80000109.8
195G32.6Very low37.2Very low28 Ų28107.7 Ų107.729%0.28961%0.606SS.*PPolyproline II helixtrans-58.4145.9179.600000112.2P193P193-G195 PolarHBondContact O-N 3.44Å
196E39.4Very low37.4Very low185 Ų185104.3 Ų104.386%0.86460%0.604SS**PPolyproline II helixtrans-60.4143.3174.5-73-173.3117.700110.8G198E196-G198 PolarHBondContact O-N 2.87Å
197P41.7Very low37.9Very low87 Ų87108.6 Ų108.657%0.56562%0.624SS**PPolyproline II helixtrans-54.4137.1173.5-23.632.6000111.4
198G34.3Very low38Very low38 Ų38109.8 Ų109.839%0.39263%0.629SS.*PPolyproline II helixtrans-58.2140.9175.900000111.2E196 A200E196-G198 PolarHBondContact O-N 2.87Å; G198-A200 PolarHBondContact O-N 2.89Å
199K38.1Very low37.9Very low196 Ų196109.8 Ų109.885%0.85264%0.636SS**PPolyproline II helixtrans-55.7134.3174.4-62.5-170.2-178.9-163.70109G201K199-G201 PolarHBondContact O-N 2.94Å
200A37.5Very low38.3Very low74 Ų74117.4 Ų117.461%0.61266%0.664SS**PPolyproline II helixtrans-49.9132.9170.400000108.8G198 R202G198-A200 PolarHBondContact O-N 2.89Å; A200-R202 PolarHBondContact O-N 3.3Å
201G34.3Very low38.4Very low49 Ų49120.4 Ų120.451%0.50567%0.668SS.*PPolyproline II helixtrans-56.1127.9-178.800000108.8K199 D203K199-G201 PolarHBondContact O-N 2.94Å; G201-D203 PolarHBondContact O-N 3.24Å; G201-D203 VanDerWaalsContact O-N 3.07Å
202R37.9Very low38.8Very low203 Ų203122.3 Ų122.377%0.76667%0.673SS**PPolyproline II helixtrans-54.8121.3171-64.1-176.3-173.7-173.50.6107.5A200 R344A200-R202 PolarHBondContact O-N 3.3Å; R202-R344 PolarHBondContact O-NH2 3.31Å
203D35.7Very low39.4Very low102 Ų102127.5 Ų127.555%0.54570%0.702SS.*  trans-38.3151.9164.3-43.125.9000108.4G201 E205G201-D203 PolarHBondContact O-N 3.24Å; G201-D203 VanDerWaalsContact O-N 3.07Å; D203-E205 HydrophobicContact CB-CB 4.28Å; D203-E205 HydrophobicContact CB-CG 3.9Å; D203-E205 PolarHBondContact O-N 3.28Å
204A37.1Very low39.9Very low110 Ų110130.1 Ų130.191%0.90971%0.71SS**SBendtrans-68.137.5171.700000112.5D206A204-D206 VanDerWaalsContact C-N 3.27Å
205E41.6Very low40.6Very low155 Ų155129.7 Ų129.772%0.72472%0.717SS**  trans-89.715.7176.8-69.1-162.6130.300112.6D203 V207D203-E205 HydrophobicContact CB-CB 4.28Å; D203-E205 HydrophobicContact CB-CG 3.9Å; D203-E205 PolarHBondContact O-N 3.28Å; E205-V207 PolarHBondContact O-N 2.88Å
206D42Very low41.2Very low139 Ų139135.4 Ų135.474%0.74375%0.746SS**SBendtrans-75.175.6157.5-84.2-30.8000110.4A204 Q208A204-D206 VanDerWaalsContact C-N 3.27Å; D206-Q208 PolarHBondContact O-N 3.45Å
207V43.3Very low41.6Very low119 Ų119129.6 Ų129.672%0.72173%0.726SS**  54.465.7128.9-162.40000115.6E205E205-V207 PolarHBondContact O-N 2.88Å
208Q41.2Very low42.2Very low197 Ų197130.4 Ų130.492%0.92174%0.74SS**  trans-108.782.7137.8-133.4163.915.200108.9D206 Q210D206-Q208 PolarHBondContact O-N 3.45Å; Q208-Q210 PolarHBondContact O-N 2.88Å; Q208-Q210 VanDerWaalsContact O-N 3.11Å
209A36.8Very low43.2Very low82 Ų82134.8 Ų134.868%0.67876%0.759SS**  trans-43.3111.4165.500000110.5
210Q42.3Very low43.4Very low188 Ų188127.8 Ų127.888%0.87974%0.735SS**  trans175.55.1146.8-102.3171.226.600117.7Q208Q208-Q210 PolarHBondContact O-N 2.88Å; Q208-Q210 VanDerWaalsContact O-N 3.11Å
211R41.8Very low44Very low254 Ų254133.9 Ų133.996%0.95875%0.747SS**  trans-113.5124.4-179.4-68.8-167.5177.6-148.70.9114.1
212Q48Very low44.7Very low157 Ų157135.8 Ų135.873%0.73475%0.753SS**  trans-59.8153.6-172.4-63.5-174.2-10.300113.1L214Q212-L214 PolarHBondContact O-N 2.88Å
213P47.6Very low44.8Very low136 Ų136131.2 Ų131.288%0.88375%0.751SS**  trans-76.889.1-173.932.7-32.5000109.4
214L47.7Very low45.3Very low157 Ų157131.3 Ų131.382%0.82276%0.756SS**  trans-97.5100.2171.1-86.5126.2000109.5Q212Q212-L214 PolarHBondContact O-N 2.88Å
215G50.8Low45.5Very low68 Ų68129.9 Ų129.970%0.70174%0.744SS**  trans61.9105.7140.800000116.3C217G215-C217 PolarHBondContact O-N 3.43Å
216T46.6Very low45.6Very low147 Ų147125.4 Ų125.490%0.90274%0.739SS**  trans-49.695.7162.642.70000111.1A218T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.09Å
217C46.9Very low45.6Very low63 Ų63124.5 Ų124.543%0.42674%0.741SS.*  trans-72.390.2166.6178.40000108G215 T219 C220G215-C217 PolarHBondContact O-N 3.43Å; C217-T219 PolarHBondContact O-N 3.39Å; C217-T219 PolarHBondContact SG-OG1 3.33Å; C217-T219 VanDerWaalsContact SG-OG1 3.41Å; C217-C220 HydrophobicContact CB-CB 3.88Å; C217-C220 WeakPolarHBondContact CB-SG 3.43Å; C217-C220 PolarHBondContact O-N 3.48Å; C217-C220 WeakPolarHBondContact SG-CB 3.41Å; C217-C220 PolarHBondContact SG-N 3.49Å; C217-C220 CovalentContact SG-SG 2.06Å; C217-C220 PolarHBondContact SG-SG 3.16Å
218A55.3Low45.8Very low105 Ų105123.2 Ų123.287%0.86874%0.735SS**THydrogen-bonded Turntrans-64.40.117600000113.9T216T216-A218 VanDerWaalsContact C-N 3.32Å; T216-A218 PolarHBondContact O-N 3.09Å
219T55.7Low45.8Very low129 Ų129116.3 Ų116.379%0.79172%0.716SS**THydrogen-bonded Turntrans-119.5-0.2-175.5500000113.8C217 F221C217-T219 PolarHBondContact O-N 3.39Å; C217-T219 PolarHBondContact SG-OG1 3.33Å; C217-T219 VanDerWaalsContact SG-OG1 3.41Å; T219-F221 PolarHBondContact O-N 3.45Å
220C42.3Very low46Very low50 Ų50118.5 Ų118.534%0.33872%0.724SS.*  trans-90.889.7-179.9-63.80000109.8C217 S222 C223C217-C220 HydrophobicContact CB-CB 3.88Å; C217-C220 WeakPolarHBondContact CB-SG 3.43Å; C217-C220 PolarHBondContact O-N 3.48Å; C217-C220 WeakPolarHBondContact SG-CB 3.41Å; C217-C220 PolarHBondContact SG-N 3.49Å; C217-C220 CovalentContact SG-SG 2.06Å; C217-C220 PolarHBondContact SG-SG 3.16Å; C220-S222 PolarHBondContact O-N 2.89Å; C220-C223 PolarHBondContact O-N 2.91Å
221F49.6Very low46.1Very low201 Ų201114 Ų11488%0.88271%0.706SS**THydrogen-bonded Turntrans-62.6-6.1176.8-136.5-90.5000113.5T219T219-F221 PolarHBondContact O-N 3.45Å
222S48.1Very low45.9Very low90 Ų90103.4 Ų103.463%0.62968%0.676SS**THydrogen-bonded Turntrans-94.1-0.8179.660.70000114.4C220C220-S222 PolarHBondContact O-N 2.89Å
223C41Very low45.5Very low107 Ų107101.2 Ų101.272%0.72368%0.675SS**SBendtrans-104.87.3179.3-67.40000113.3C220C220-C223 PolarHBondContact O-N 2.91Å
224T45.5Very low45.2Very low104 Ų10499.3 Ų99.364%0.63866%0.663SS**SBendtrans-86127.1-178.9-28.80000109.2G226T224-G226 PolarHBondContact O-N 3.31Å
225A41.3Very low44.7Very low80 Ų8093 Ų9366%0.66164%0.636SS**PPolyproline II helixtrans-47.4132.616800000109.4
226G43Very low44.2Very low60 Ų6094.4 Ų94.462%0.61963%0.633SS**PPolyproline II helixtrans-56.9151.1177.900000110.8T224T224-G226 PolarHBondContact O-N 3.31Å
227P43.7Very low43.9Very low120 Ų12092.6 Ų92.678%0.77961%0.614SS**PPolyproline II helixtrans-55.1146.9177.125-33.8000110.1G229P227-G229 PolarHBondContact O-N 3.48Å
228P45.9Very low43.5Very low92 Ų9290.5 Ų90.560%0.59760%0.603SS**PPolyproline II helixtrans-48.3141.5170.7-26.534.4000111
229G41.5Very low42.6Very low52 Ų5292.9 Ų92.954%0.53660%0.6SS.*PPolyproline II helixtrans-58.2154.9175.100000111.3P227P227-G229 PolarHBondContact O-N 3.48Å
230P41.9Very low41.9Very low129 Ų12990.1 Ų90.184%0.83858%0.583SS**PPolyproline II helixtrans-58.5149.917726.8-34.4000110.7G232P230-G232 PolarHBondContact O-N 2.94Å
231N43.6Very low41.7Very low92 Ų9289 Ų8949%0.49258%0.58SS.*PPolyproline II helixtrans-54.9141.6171.3-72-10.6000109.8
232G37.9Very low41.3Very low32 Ų3284.8 Ų84.833%0.3357%0.573SS.*PPolyproline II helixtrans-59.7153170.900000110.9P230P230-G232 PolarHBondContact O-N 2.94Å
233P39.8Very low41Very low111 Ų11183.3 Ų83.372%0.72156%0.563SS**PPolyproline II helixtrans-58.9151.7175.226.8-34.3000110.7
234P41.4Very low40.8Very low96 Ų9679.6 Ų79.662%0.62354%0.542SS*.PPolyproline II helixtrans-51.8144.1170.2-25.134.2000111.3
235G37.5Very low40.6Very low26 Ų2685.3 Ų85.327%0.26855%0.552SS.*PPolyproline II helixtrans-60.4156173.300000111.3
236P40.1Very low40.8Very low96 Ų9685.5 Ų85.562%0.62355%0.547SS*.PPolyproline II helixtrans-61.1147176.427.2-34.4000111G238P236-G238 PolarHBondContact O-N 2.8Å
237Q40.9Very low40.5Very low110 Ų11084.1 Ų84.151%0.51453%0.533SS..PPolyproline II helixtrans-57.2137.1173.7-168.6173.717.300110.2P188 G189P188-Q237 VanDerWaalsContact CB-NE2 3.3Å; G189-Q237 PolarHBondContact O-NE2 2.87Å; G189-Q237 VanDerWaalsContact O-NE2 3.13Å
238G36.7Very low40.3Very low19 Ų1984 Ų8420%0.19653%0.53CS..PPolyproline II helixtrans-57.7143.8177.500000111.6P236 V240P236-G238 PolarHBondContact O-N 2.8Å; G238-V240 PolarHBondContact O-N 3.32Å
239L37.9Very low40.2Very low155 Ų15582.6 Ų82.681%0.81252%0.521SS*.PPolyproline II helixtrans-60.6137.2176-66.6172.8000110.1G241L239-G241 PolarHBondContact O-N 2.84Å
240V40.3Very low40Very low71 Ų7182.1 Ų82.143%0.4352%0.515SS..PPolyproline II helixtrans-59.3127172.3-178.80000108.4R185 G238R185-V240 HydrophobicContact CG-CG1 4.05Å; G238-V240 PolarHBondContact O-N 3.32Å
241G37.8Very low39.8Very low27 Ų2781.6 Ų81.628%0.27851%0.513SS..PPolyproline II helixtrans-57.6153178.200000111.9L239L239-G241 PolarHBondContact O-N 2.84Å
242P41.2Very low39.7Very low112 Ų11281.3 Ų81.373%0.72751%0.512SS*.PPolyproline II helixtrans-59.3148176.726.9-34.3000110.6G244P242-G244 PolarHBondContact O-N 2.92Å
243S42.3Very low39.6Very low59 Ų5982.6 Ų82.641%0.41353%0.525SS..PPolyproline II helixtrans-55.2140.4170.9-620000110.3
244G37Very low39.5Very low28 Ų2885.2 Ų85.229%0.28953%0.53SS..PPolyproline II helixtrans-53.8147.4172.600000111.4P242P242-G244 PolarHBondContact O-N 2.92Å
245R41.7Very low39.5Very low224 Ų22486.7 Ų86.785%0.84554%0.539SS*.PPolyproline II helixtrans-62.7143.8175.2-69.1-174.4176.9-150-0.7109.4
246P45Very low39.7Very low85 Ų8588.5 Ų88.555%0.55256%0.558SS**PPolyproline II helixtrans-54.8142170.4-22.833.2000110.7
247G36.6Very low40Very low31 Ų3189.7 Ų89.732%0.3257%0.566SS.*PPolyproline II helixtrans-58.3149.5171.900000111.1
248T38.7Very low40.3Very low118 Ų11890.4 Ų90.472%0.72458%0.58SS**PPolyproline II helixtrans-63.1137.9174.148.10000109.8G250T248-G250 PolarHBondContact O-N 3.4Å
249P45.2Very low40.5Very low62 Ų6293 Ų9340%0.40361%0.607SS.*PPolyproline II helixtrans-53.9139.3171.5-24.533.9000110.9
250G36.1Very low41.1Very low41 Ų4194.9 Ų94.942%0.42361%0.611SS.*PPolyproline II helixtrans-60.9149.4171.100000110.8T248T248-G250 PolarHBondContact O-N 3.4Å
251C37.6Very low41.5Very low118 Ų118100.3 Ų100.380%0.79763%0.634SS**PPolyproline II helixtrans-71.4136.9173.4-61.80000110
252D42Very low41.7Very low87 Ų87101.5 Ų101.547%0.46565%0.646SS.*PPolyproline II helixtrans-59.3141.3167.8-69.2-32.8000110.3
253G36.3Very low42.1Very low59 Ų59102 Ų10261%0.60865%0.649SS**PPolyproline II helixtrans-59.3144.3174.300000111.9
254M37.5Very low42.5Very low166 Ų166105.3 Ų105.382%0.81867%0.67SS**PPolyproline II helixtrans-61.8141.5177.2-66.918066.800110.9G256M254-G256 PolarHBondContact O-N 2.86Å
255P42Very low42.5Very low126 Ų126106.6 Ų106.682%0.81868%0.682SS**PPolyproline II helixtrans-54.6137.3168.8-23.933.4000110.8
256G40.7Very low42.7Very low64 Ų64104.7 Ų104.766%0.6668%0.683SS**PPolyproline II helixtrans-58.7155.8176.200000112.4M254M254-G256 PolarHBondContact O-N 2.86Å
257P45.8Very low42.9Very low121 Ų121106.7 Ų106.779%0.78670%0.696SS**PPolyproline II helixtrans-59.6149.917826.1-34.2000111.3G259P257-G259 PolarHBondContact O-N 3.4Å
258P47.2Very low42.9Very low126 Ų126107.2 Ų107.282%0.81870%0.702SS**PPolyproline II helixtrans-53.9140.4170.1-23.233.2000110.9
259G41.1Very low43.3Very low73 Ų73107.9 Ų107.975%0.75371%0.708SS**PPolyproline II helixtrans-58.9148.5175.300000111.9P257P257-G259 PolarHBondContact O-N 3.4Å
260E50.9Low43.2Very low195 Ų195116.5 Ų116.591%0.91173%0.732SS**PPolyproline II helixtrans-58.6141.9176.5-64.4-174.2153.100111.3G262E260-G262 PolarHBondContact O-N 2.9Å
261M49.3Very low43.2Very low185 Ų185116.8 Ų116.891%0.91174%0.735SS**PPolyproline II helixtrans-64.1128.9173.1-176.9169.961.800109.2
262G41.9Very low43.6Very low51 Ų51118.9 Ų118.953%0.52674%0.738SS.*PPolyproline II helixtrans-58.2154.7176.500000112.3E260E260-G262 PolarHBondContact O-N 2.9Å
263P49.9Very low43.9Very low123 Ų123119.4 Ų119.480%0.79976%0.755SS**PPolyproline II helixtrans-61.2152.1179.326.4-34.6000111.6
264P49.1Very low44.1Very low129 Ų129119 Ų11984%0.83875%0.75SS**PPolyproline II helixtrans-54.4143.3172.3-23.833.3000111.8
265G37.2Very low45Very low54 Ų54117.3 Ų117.356%0.55775%0.752SS**PPolyproline II helixtrans-59149.8173.500000111.9
266Q47.6Very low45.6Very low185 Ų185121 Ų12186%0.86476%0.755SS**PPolyproline II helixtrans-63.8145.6175.4-66.3-175.525.900110.7G268Q266-G268 PolarHBondContact O-N 2.95Å
267P47.5Very low45.9Very low127 Ų127120.5 Ų120.583%0.82575%0.75SS**PPolyproline II helixtrans-55.2137.6172.3-24.133.7000111.5
268G37.8Very low46.2Very low42 Ų42122.8 Ų122.843%0.43375%0.754SS.*PPolyproline II helixtrans-60.2157.7174.100000112.3Q266Q266-G268 PolarHBondContact O-N 2.95Å
269P46.8Very low46.4Very low131 Ų131122.7 Ų122.785%0.85175%0.751SS**PPolyproline II helixtrans-60.5145.6179.326.2-34.1000111.4G271P269-G271 PolarHBondContact O-N 2.94Å
270R43.8Very low46.7Very low243 Ų243122.6 Ų122.692%0.91775%0.75SS**PPolyproline II helixtrans-60.2127.3173.8-175.7177.2-178.1164.81.4109.2
271G35.7Very low46.8Very low47 Ų47122.2 Ų122.249%0.48575%0.745SS.*PPolyproline II helixtrans-54.6142.4174.900000111.9P269P269-G271 PolarHBondContact O-N 2.94Å
272N46.2Very low46.8Very low162 Ų162120.8 Ų120.887%0.86674%0.741SS**PPolyproline II helixtrans-57.8144.6178.1-71-30.8000110.8G274N272-G274 PolarHBondContact O-N 3.37Å
273A48.6Very low46.8Very low99 Ų99123.1 Ų123.182%0.81876%0.756SS**PPolyproline II helixtrans-59.2136.3172.400000109.8
274G39.4Very low46.8Very low49 Ų49124.7 Ų124.751%0.50575%0.753SS.*PPolyproline II helixtrans-57.9154.5173.800000111.4N272N272-G274 PolarHBondContact O-N 3.37Å
275P56.3Low46.7Very low132 Ų132128.6 Ų128.686%0.85775%0.75SS**PPolyproline II helixtrans-56.5142.9178.724.5-33.2000110.5G277P275-G277 PolarHBondContact O-N 3Å
276K55.5Low47Very low203 Ų203131.9 Ų131.988%0.88376%0.76SS**PPolyproline II helixtrans-57.5129.9171.1-92.4-178.8176.3177.10108.4I278K276-I278 PolarHBondContact O-N 3.47Å
277G46.3Very low47Very low53 Ų53130.2 Ų130.255%0.54676%0.755SS.*PPolyproline II helixtrans-51.8133.5171.200000110P275 V279P275-G277 PolarHBondContact O-N 3Å; G277-V279 PolarHBondContact O-N 2.84Å
278I53.1Low46.7Very low169 Ų169127.7 Ų127.787%0.86775%0.752SS**PPolyproline II helixtrans-63.8121.8-179.5-45.8170.7000106.7K276 G280K276-I278 PolarHBondContact O-N 3.47Å; I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.13Å
279V51.7Low47.2Very low124 Ų124132.4 Ų132.475%0.75277%0.772SS**  trans-68.9112.1171.6177.90000106.5G277 K281G277-V279 PolarHBondContact O-N 2.84Å; V279-K281 PolarHBondContact O-N 2.86Å
280G47.2Very low47.2Very low72 Ų72135.5 Ų135.574%0.74277%0.772SS**  trans-58.1106.4167.300000108.3I278I278-G280 PolarHBondContact O-N 3.36Å; I278-G280 VanDerWaalsContact O-N 3.13Å
281K52.8Low47Very low186 Ų186126.4 Ų126.481%0.80975%0.754SS**  trans-68.8141.5161.3-75.9179.2173.3178.70106.6V279V279-K281 PolarHBondContact O-N 2.86Å
282D49.1Very low47.4Very low155 Ų155133.2 Ų133.283%0.82977%0.773SS**SBendtrans88.379.4172-44.5-31.4000114.5E284D282-E284 PolarHBondContact O-N 3.47Å
283A41.8Very low47.2Very low100 Ų100134.9 Ų134.983%0.82677%0.772SS**  trans-0.5102.3140.400000116.4
284E49.4Very low46.5Very low157 Ų157132.5 Ų132.573%0.73476%0.758SS**  -165.8107.1115.3-154.4102.1-144.100107.5D282D282-E284 PolarHBondContact O-N 3.47Å
285R46.3Very low46.1Very low210 Ų210138 Ų13879%0.79277%0.774SS**  trans36.8104.8156.9-101.5177.9-74.8-103.6-6.5117.9
286V44.5Very low45.3Very low124 Ų124138 Ų13875%0.75277%0.772SS**SBend145.4110.1123.71730000111.1
287I46.8Very low44Very low149 Ų149130.3 Ų130.376%0.76475%0.75SS**  trans54.495.2161.3-53.1164.2000115.7V289I287-V289 PolarHBondContact O-N 2.93Å
288G41.5Very low43.4Very low74 Ų74132.4 Ų132.476%0.76376%0.762SS**PPolyproline II helixtrans-55.5124160.500000109.9K290G288-K290 PolarHBondContact O-N 3.4Å; G288-K290 VanDerWaalsContact O-N 3.15Å
289V47.6Very low42.6Very low141 Ų141133.3 Ų133.386%0.85576%0.763SS**PPolyproline II helixtrans-57.3119-179.9-143.40000108I287 G291I287-V289 PolarHBondContact O-N 2.93Å; V289-G291 PolarHBondContact O-N 2.99Å; V289-G291 VanDerWaalsContact O-N 3.07Å
290K48.4Very low41.5Very low197 Ų197129.2 Ų129.286%0.85775%0.746SS**PPolyproline II helixtrans-54.2119.1174-178.6175.7-178.31760107.1G288 E292G288-K290 PolarHBondContact O-N 3.4Å; G288-K290 VanDerWaalsContact O-N 3.15Å; K290-E292 PolarHBondContact O-N 2.92Å
291G39Very low40.8Very low51 Ų51133.5 Ų133.553%0.52675%0.752SS.*PPolyproline II helixtrans-49.2134176.200000109.7V289 K293V289-G291 PolarHBondContact O-N 2.99Å; V289-G291 VanDerWaalsContact O-N 3.07Å; G291-K293 PolarHBondContact O-N 2.95Å
292E45.1Very low39.9Very low191 Ų191133.5 Ų133.589%0.89376%0.757SS**PPolyproline II helixtrans-51.7137.2-179.1-67.2-175.7148.700109.8K290 G294K290-E292 PolarHBondContact O-N 2.92Å; E292-G294 PolarHBondContact O-N 3.44Å; E292-G294 VanDerWaalsContact O-N 3.07Å
293K41.7Very low38.9Very low196 Ų196128.3 Ų128.385%0.85274%0.74SS**PPolyproline II helixtrans-55.4121.1175.6-173.8179.7-179-177.10106.8G291 I295G291-K293 PolarHBondContact O-N 2.95Å; K293-I295 PolarHBondContact O-N 2.99Å
294G32.3Very low38.5Very low50 Ų50129 Ų12952%0.51574%0.739SS.*PPolyproline II helixtrans-47.6132.1178.100000110E292 T296E292-G294 PolarHBondContact O-N 3.44Å; E292-G294 VanDerWaalsContact O-N 3.07Å; G294-T296 PolarHBondContact O-N 3.28Å
295I32.8Very low37.8Very low163 Ų163131.2 Ų131.284%0.83675%0.746SS**PPolyproline II helixtrans-49.8128.2175.650.2171.7000108.8K293 G297K293-I295 PolarHBondContact O-N 2.99Å; I295-G297 PolarHBondContact O-N 3Å; I295-G297 VanDerWaalsContact O-N 3.1Å
296T38.4Very low37Very low133 Ų133123.9 Ų123.982%0.81674%0.735SS**PPolyproline II helixtrans-53.7122.4167.5-55.40000106.1G294 A298G294-T296 PolarHBondContact O-N 3.28Å; T296-A298 PolarHBondContact O-N 3.47Å
297G29.4Very low36.6Very low41 Ų41126.5 Ų126.542%0.42374%0.739SS.*PPolyproline II helixtrans-50.5141.4178.600000109.7I295 Q299I295-G297 PolarHBondContact O-N 3Å; I295-G297 VanDerWaalsContact O-N 3.1Å; G297-Q299 PolarHBondContact O-N 3.1Å
298A32.5Very low36.2Very low98 Ų98124.7 Ų124.781%0.8174%0.737SS**PPolyproline II helixtrans-48.4138.9175.600000109.4T296 G300T296-A298 PolarHBondContact O-N 3.47Å; A298-G300 PolarHBondContact O-N 3.11Å; A298-G300 VanDerWaalsContact O-N 3.1Å
299Q36.1Very low35.8Very low187 Ų187124.4 Ų124.487%0.87473%0.734SS**PPolyproline II helixtrans-50123.5170.5-178.1175.7-56.100107.1G297 D301G297-Q299 PolarHBondContact O-N 3.1Å; Q299-D301 PolarHBondContact O-N 3.38Å
300G28.2Very low35.5Very low39 Ų39127 Ų12740%0.40273%0.734SS.*PPolyproline II helixtrans-51.1140-179.400000109.6A298 M302A298-G300 PolarHBondContact O-N 3.11Å; A298-G300 VanDerWaalsContact O-N 3.1Å; G300-M302 PolarHBondContact O-N 3.11Å
301D32.9Very low34.9Very low162 Ų162124.5 Ų124.587%0.86673%0.73SS**PPolyproline II helixtrans-48.2135.2177.6-68.4-41.8000109.2Q299 G303Q299-D301 PolarHBondContact O-N 3.38Å; D301-G303 PolarHBondContact O-N 3.4Å
302M34.2Very low34.7Very low186 Ų186126.1 Ų126.192%0.91674%0.738SS**PPolyproline II helixtrans-50.2122173.3-176.7175.8179.200107.1G300 S304G300-M302 PolarHBondContact O-N 3.11Å; M302-S304 PolarHBondContact O-N 3.08Å
303G28.5Very low34.3Very low45 Ų45126.2 Ų126.246%0.46474%0.735SS.*PPolyproline II helixtrans-46.1132.3-177.300000109.6D301 K305D301-G303 PolarHBondContact O-N 3.4Å; G303-K305 PolarHBondContact O-N 3.39Å; G303-K305 VanDerWaalsContact O-N 3.16Å
304S34Very low34Very low115 Ų115123.9 Ų123.980%0.80473%0.732SS**  trans-43.8128.1178.251.20000108.7M302 G306M302-S304 PolarHBondContact O-N 3.08Å; S304-G306 PolarHBondContact O-N 3.28Å
305K34.5Very low34.1Very low204 Ų204123.8 Ų123.889%0.88773%0.731SS**  trans-44.2119.9173.2-172175.7-176.5178.20106.6G303 H307G303-K305 PolarHBondContact O-N 3.39Å; G303-K305 VanDerWaalsContact O-N 3.16Å; K305-H307 PolarHBondContact O-N 2.98Å
306G29Very low34.4Very low55 Ų55122 Ų12257%0.56773%0.73SS**  trans-46.7138.9-179.400000108.5S304S304-G306 PolarHBondContact O-N 3.28Å
307H35.8Very low34.4Very low179 Ų179121.9 Ų121.983%0.82973%0.729SS**  trans-42.3134.8175.3-71.4-56000108.4K305 G309K305-H307 PolarHBondContact O-N 2.98Å; H307-G309 PolarHBondContact O-N 3.12Å
308P39.4Very low34.6Very low111 Ų111122 Ų12272%0.72173%0.731SS**  trans-42.8121.8169.7-25.533000106.3K310P308-K310 PolarHBondContact O-N 2.94Å
309G32.9Very low34.9Very low68 Ų68125 Ų12570%0.70173%0.733SS**  trans-46122.1-179.700000105.7H307 D311H307-G309 PolarHBondContact O-N 3.12Å; G309-D311 PolarHBondContact O-N 3.42Å
310K39.4Very low35Very low197 Ų197124.8 Ų124.886%0.85773%0.734SS**  trans-30.5115.3-175.1-65.2174.2-179.1175.10105.8P308 A312P308-K310 PolarHBondContact O-N 2.94Å; K310-A312 VanDerWaalsContact C-N 3.33Å; K310-A312 WeakPolarHBondContact O-CA 3.21Å; K310-A312 PolarHBondContact O-N 2.73Å
311D37.7Very low35.2Very low144 Ų144124.6 Ų124.677%0.7773%0.732SS**  trans-34.5109.7-176.6-71.4-44.8000105G309 K313G309-D311 PolarHBondContact O-N 3.42Å; D311-K313 PolarHBondContact O-N 2.92Å
312A34.5Very low35.4Very low84 Ų84125.7 Ų125.769%0.69473%0.732SS**  trans-6885.6-179.600000101.6K310 N314 G315K310-A312 VanDerWaalsContact C-N 3.33Å; K310-A312 WeakPolarHBondContact O-CA 3.21Å; K310-A312 PolarHBondContact O-N 2.73Å; A312-N314 VanDerWaalsContact C-N 3.3Å; A312-N314 WeakPolarHBondContact O-CA 3.35Å; A312-N314 PolarHBondContact O-N 3.29Å; A312-G315 PolarHBondContact O-N 3.01Å
313K35.2Very low35.6Very low193 Ų193125.3 Ų125.384%0.83973%0.728SS**THydrogen-bonded Turntrans-41.6107.3178.8-93-173.4172.7-1750101.9D311 G315D311-K313 PolarHBondContact O-N 2.92Å; K313-G315 PolarHBondContact O-N 3.47Å; K313-G315 VanDerWaalsContact O-N 3.09Å
314N36Very low35.8Very low147 Ų147124.7 Ų124.779%0.78672%0.722SS**THydrogen-bonded Turntrans4.592.7-168.8-61.3-13000109.9A312A312-N314 VanDerWaalsContact C-N 3.3Å; A312-N314 WeakPolarHBondContact O-CA 3.35Å; A312-N314 PolarHBondContact O-N 3.29Å
315G34.3Very low35.9Very low48 Ų48128 Ų12850%0.49572%0.724SS.*  trans-37.5132.7177.400000108A312 K313 V317A312-G315 PolarHBondContact O-N 3.01Å; K313-G315 PolarHBondContact O-N 3.47Å; K313-G315 VanDerWaalsContact O-N 3.09Å; G315-V317 PolarHBondContact O-N 3.29Å; G315-V317 VanDerWaalsContact O-N 3.1Å
316P39.2Very low36Very low125 Ų125126 Ų12681%0.81272%0.719SS**SBendtrans-38.7123.4-157.218.3-33000108.6G318P316-G318 PolarHBondContact O-N 3.11Å
317V38.8Very low36.1Very low132 Ų132125.3 Ų125.380%0.871%0.711SS**  trans-38.2114.2177.2172.80000105.3G315 D319G315-V317 PolarHBondContact O-N 3.29Å; G315-V317 VanDerWaalsContact O-N 3.1Å; V317-D319 PolarHBondContact O-N 3.21Å
318G34.3Very low36.1Very low44 Ų44124.5 Ų124.545%0.45471%0.712SS.*  trans-48135.9-17300000107.5P316 M320P316-G318 PolarHBondContact O-N 3.11Å; G318-M320 PolarHBondContact O-N 3.43Å
319D37.5Very low35.9Very low161 Ų161126.9 Ų126.986%0.86171%0.713SS**  trans-43126-177.3-70.4-41.1000108.1V317 G321V317-D319 PolarHBondContact O-N 3.21Å; D319-G321 PolarHBondContact O-N 3Å
320M38.5Very low35.9Very low182 Ų182125.1 Ų125.190%0.89770%0.695SS**  trans-47.5117.5179.1177174.117700106.4G318 E322G318-M320 PolarHBondContact O-N 3.43Å; M320-E322 PolarHBondContact O-N 2.96Å
321G33.2Very low35.8Very low35 Ų35120.9 Ų120.936%0.36169%0.688SS.*  trans-48.6138.8-177.300000109.1D319 Q323D319-G321 PolarHBondContact O-N 3Å; G321-Q323 PolarHBondContact O-N 2.95Å
322E36.2Very low35.7Very low185 Ų185120 Ų12086%0.86469%0.689SS**  trans-45.9131.6-178.3-67-175.4140.700109.5M320 G324M320-E322 PolarHBondContact O-N 2.96Å; E322-G324 PolarHBondContact O-N 2.9Å
323Q38.1Very low35.6Very low178 Ų178117.9 Ų117.983%0.83268%0.676SS**PPolyproline II helixtrans-52.7119.9175.8178.5177.6-32.800107.3G321 E325G321-Q323 PolarHBondContact O-N 2.95Å; Q323-E325 PolarHBondContact O-N 3.49Å
324G32.5Very low35.6Very low32 Ų32113 Ų11333%0.3367%0.672SS.*PPolyproline II helixtrans-50.4138.9179.200000110.1E322 E326E322-G324 PolarHBondContact O-N 2.9Å; G324-E326 PolarHBondContact O-N 3.03Å
325E36.6Very low35.6Very low183 Ų183112.4 Ų112.486%0.85567%0.666SS**PPolyproline II helixtrans-50137.8-178.7-65.5-173.2147.100110.4Q323 G327Q323-E325 PolarHBondContact O-N 3.49Å; E325-G327 PolarHBondContact O-N 2.85Å
326E37.6Very low35.6Very low164 Ų164111.4 Ų111.477%0.76666%0.655SS**PPolyproline II helixtrans-55.8125.2174.2-172.3172.2-172.400108.5G324 L328G324-E326 PolarHBondContact O-N 3.03Å; E326-L328 PolarHBondContact O-N 3.48Å
327G31Very low35.5Very low39 Ų39110.7 Ų110.740%0.40265%0.651SS.*PPolyproline II helixtrans-55.1130.8-179.300000110E325 Q329E325-G327 PolarHBondContact O-N 2.85Å; G327-Q329 PolarHBondContact O-N 2.93Å
328L34.8Very low35.4Very low162 Ų162110.1 Ų110.185%0.84865%0.647SS**PPolyproline II helixtrans-52135.7179.1-65.8173.2000110.5E326 G330E326-L328 PolarHBondContact O-N 3.48Å; L328-G330 PolarHBondContact O-N 2.94Å
329Q36.3Very low35.3Very low162 Ų162110.4 Ų110.476%0.75765%0.65SS**PPolyproline II helixtrans-53.7128.1171.7-172178.552.400108.7G327G327-Q329 PolarHBondContact O-N 2.93Å
330G32.2Very low35.2Very low30 Ų30107.3 Ų107.331%0.30965%0.647SS.*PPolyproline II helixtrans-57.8150.2174.100000110.5L328L328-G330 PolarHBondContact O-N 2.94Å
331P36.3Very low35.2Very low109 Ų109106.2 Ų106.271%0.70864%0.642SS**PPolyproline II helixtrans-57148.6178.125.2-33.9000110.6G333P331-G333 PolarHBondContact O-N 3.38Å
332P37.2Very low35.1Very low124 Ų124106.9 Ų106.981%0.80565%0.648SS**PPolyproline II helixtrans-49.5139.3171.2-26.534.4000110.9
333G31.5Very low35.2Very low40 Ų40104.3 Ų104.341%0.41265%0.647SS.*PPolyproline II helixtrans-54.4143.5175.500000110.7P331 M335P331-G333 PolarHBondContact O-N 3.38Å; G333-M335 PolarHBondContact O-N 3.34Å
334A35.7Very low35.1Very low91 Ų91105.1 Ų105.175%0.75264%0.643SS**PPolyproline II helixtrans-55.8137175.700000110G336A334-G336 PolarHBondContact O-N 3.38Å
335M36.1Very low35Very low135 Ų135106.6 Ų106.667%0.66566%0.659SS**PPolyproline II helixtrans-54.7130.7173.1-173.5169.667.300108.8P193 G333P193-M335 HydrophobicContact CG-SD 4.17Å; G333-M335 PolarHBondContact O-N 3.34Å
336G33.1Very low34.9Very low26 Ų26100.8 Ų100.827%0.26865%0.648SS.*PPolyproline II helixtrans-56.2154.2176.600000111.2A334 V338A334-G336 PolarHBondContact O-N 3.38Å; G336-V338 PolarHBondContact O-N 2.98Å
337P37.5Very low34.8Very low110 Ų11099.1 Ų99.171%0.71465%0.651SS**PPolyproline II helixtrans-56.5141.9176.925.4-33.8000110.3G339P337-G339 PolarHBondContact O-N 3.24Å
338V37.7Very low34.9Very low121 Ų12199.8 Ų99.873%0.73366%0.658SS**PPolyproline II helixtrans-54.8128171.2179.70000107.8G336G336-V338 PolarHBondContact O-N 2.98Å
339G31.7Very low34.9Very low49 Ų4998.1 Ų98.151%0.50566%0.657SS.*PPolyproline II helixtrans-52.3141.6179.400000111.1P337 M341P337-G339 PolarHBondContact O-N 3.24Å; G339-M341 PolarHBondContact O-N 3.16Å
340A36.2Very low34.9Very low97 Ų9797 Ų9780%0.80266%0.656SS**PPolyproline II helixtrans-55.9137.7177.100000110.2G342A340-G342 PolarHBondContact O-N 3.46Å
341M36.6Very low35Very low159 Ų15999.7 Ų99.778%0.78368%0.675SS**PPolyproline II helixtrans-55.6128.7173.6-174165.563.200108.9G339G339-M341 PolarHBondContact O-N 3.16Å
342G33Very low34.8Very low49 Ų49102.7 Ų102.751%0.50568%0.68SS.*PPolyproline II helixtrans-55.5154.4179.200000111.8A340 R344A340-G342 PolarHBondContact O-N 3.46Å; G342-R344 PolarHBondContact O-N 3.05Å
343P36.4Very low34.6Very low130 Ų130106.9 Ų106.984%0.84468%0.681SS**PPolyproline II helixtrans-56.1142.5178.224.3-33.3000110.6G345P343-G345 PolarHBondContact O-N 3.41Å
344R36.2Very low34.7Very low195 Ų195110 Ų11074%0.73670%0.695SS**PPolyproline II helixtrans-53.4128.4172.7-175.5178.8-177.81674.1108R202 G342 G346R202-R344 PolarHBondContact O-NH2 3.31Å; G342-R344 PolarHBondContact O-N 3.05Å; R344-G346 PolarHBondContact O-N 3.1Å
345G31.1Very low35.1Very low64 Ų64110.8 Ų110.866%0.6669%0.693SS**PPolyproline II helixtrans-49.8133.4172.800000109.7P343P343-G345 PolarHBondContact O-N 3.41Å
346G33.9Very low35Very low61 Ų61109.3 Ų109.363%0.62970%0.695SS**PPolyproline II helixtrans-56.7158.4178.400000111.3R344 G348R344-G346 PolarHBondContact O-N 3.1Å; G346-G348 PolarHBondContact O-N 3.32Å
347P35.9Very low35.5Very low128 Ų128114 Ų11483%0.83172%0.721SS**PPolyproline II helixtrans-48.2134.6169.7-24.433.6000109.9
348G33.9Very low35.7Very low53 Ų53112.9 Ų112.955%0.54672%0.72SS.*PPolyproline II helixtrans-54.6156.7171.100000110.2G346 D350G346-G348 PolarHBondContact O-N 3.32Å; G348-D350 PolarHBondContact O-N 3.43Å; G348-D350 VanDerWaalsContact O-N 3.13Å
349P35.4Very low35.9Very low128 Ų128118.5 Ų118.583%0.83173%0.728SS**PPolyproline II helixtrans-50.8127.4178.822.8-32.6000108.6A351P349-A351 PolarHBondContact O-N 3.38Å
350D35.8Very low36.5Very low137 Ų137121.9 Ų121.973%0.73374%0.744SS**  trans-44.4123.5176.7-66.7-46000107.3G348 H352G348-D350 PolarHBondContact O-N 3.43Å; G348-D350 VanDerWaalsContact O-N 3.13Å; D350-H352 PolarHBondContact O-N 3.43Å
351A34Very low36.9Very low87 Ų87120.2 Ų120.272%0.71974%0.737SS**  trans-5992.2177.400000106.8P349 Y353P349-A351 PolarHBondContact O-N 3.38Å; A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.26Å
352H32.6Very low37.2Very low172 Ų172123.1 Ų123.180%0.79674%0.739SS**  trans-59.9101.8173.8-92.3-69.4000105.1D350 C354D350-H352 PolarHBondContact O-N 3.43Å; H352-C354 PolarHBondContact O-N 3.1Å
353Y33.1Very low37.6Very low212 Ų212125.2 Ų125.283%0.83175%0.751SS**  trans3.788.9159.6-154.2-92.9000111.5A351 P355A351-Y353 VanDerWaalsContact C-N 3.26Å; A351-Y353 PolarHBondContact O-N 3.26Å; Y353-P355 WeakPolarHBondContact O-CD 3.42Å; Y353-P355 VanDerWaalsContact O-N 3.15Å
354C32.9Very low38.1Very low105 Ų105127.5 Ų127.571%0.70975%0.748SS**  trans-65.2114.2165-90.80000105.6H352 C356H352-C354 PolarHBondContact O-N 3.1Å; C354-C356 PolarHBondContact O-N 3.27Å
355P43.3Very low38.5Very low108 Ų108122.6 Ų122.670%0.70175%0.749SS**  trans-69.488.316131.3-27000104.5Y353 P357Y353-P355 WeakPolarHBondContact O-CD 3.42Å; Y353-P355 VanDerWaalsContact O-N 3.15Å; P355-P357 VanDerWaalsContact O-CD 3.3Å; P355-P357 WeakPolarHBondContact O-CD 3.38Å; P355-P357 VanDerWaalsContact O-N 3.12Å
356C34.3Very low39.4Very low105 Ų105128.6 Ų128.671%0.70976%0.757SS**  trans-50.4124.8160.2-99.40000105.1C354 A358C354-C356 PolarHBondContact O-N 3.27Å; C356-A358 PolarHBondContact O-N 3.35Å
357P43.6Very low40.2Very low125 Ų125131 Ų13181%0.81276%0.759SS**  trans-64.686.6163.426.9-29.8000104.8P355 R359P355-P357 VanDerWaalsContact O-CD 3.3Å; P355-P357 WeakPolarHBondContact O-CD 3.38Å; P355-P357 VanDerWaalsContact O-N 3.12Å; P357-R359 PolarHBondContact O-N 3.29Å
358A41.5Very low40.7Very low85 Ų85133 Ų13370%0.70276%0.761SS**  trans-49.8114.816700000103.9C356 S360C356-A358 PolarHBondContact O-N 3.35Å; A358-S360 VanDerWaalsContact C-N 3.33Å; A358-S360 PolarHBondContact O-N 3.41Å
359R43.4Very low41.4Very low239 Ų239138.9 Ų138.990%0.90277%0.772SS**  trans-34.298.6179.3-71.4174.3177.6-167.2-1.2108.9P357 G361P357-R359 PolarHBondContact O-N 3.29Å; R359-G361 PolarHBondContact O-N 3.07Å
360S44.3Very low41.6Very low121 Ų121144.2 Ų144.285%0.84678%0.775SS**  trans-75.736.4157.671.50000108.7A358 R362A358-S360 VanDerWaalsContact C-N 3.33Å; A358-S360 PolarHBondContact O-N 3.41Å; S360-R362 PolarHBondContact O-N 3.24Å
361G42.8Very low42Very low62 Ų62150.8 Ų150.864%0.63980%0.802SS**  trans-73.175.9154.300000106R359 A363R359-G361 PolarHBondContact O-N 3.07Å; G361-A363 PolarHBondContact O-N 2.97Å
362R42.8Very low42.4Very low220 Ų220154 Ų15483%0.8381%0.806SS**  trans-55.492.9155-174.4-177.4-84.1-169.7-3.8103.9S360 K364S360-R362 PolarHBondContact O-N 3.24Å; R362-K364 PolarHBondContact O-N 3.07Å
363A43.3Very low42.9Very low93 Ų93153 Ų15377%0.76981%0.806SS**  trans-55.494.116500000104.6G361 A365G361-A363 PolarHBondContact O-N 2.97Å; A363-A365 PolarHBondContact O-N 3.13Å
364K45.4Very low43.4Very low178 Ų178149.7 Ų149.777%0.77481%0.805SS**  trans-63.690.6163.5-76.8-176.1177.3-179.70103.6R362 K366R362-K364 PolarHBondContact O-N 3.07Å; K364-K366 PolarHBondContact O-N 3.15Å
365A45.7Very low44.1Very low91 Ų91152.4 Ų152.475%0.75281%0.81SS**  trans-55.989.8156.800000105.7A363 T367A363-A365 PolarHBondContact O-N 3.13Å; A365-T367 PolarHBondContact O-N 3.32Å
366K49.9Very low44.1Very low190 Ų190155.1 Ų155.183%0.82682%0.817SS**  trans-67.795164-89.9-175.8173.7-177.90105K364 I368K364-K366 PolarHBondContact O-N 3.15Å; K366-I368 PolarHBondContact O-N 3.25Å
367T49.3Very low44.8Very low112 Ų112158.5 Ų158.569%0.68783%0.825SS**  trans-49.3108.8161.7-57.80000108A365 K369A365-T367 PolarHBondContact O-N 3.32Å; T367-K369 HydrophobicContact CG2-CB 4.18Å; T367-K369 HydrophobicContact CG2-CD 4.32Å; T367-K369 HydrophobicContact CG2-CG 4.16Å; T367-K369 PolarHBondContact O-N 3.33Å; T367-K369 VanDerWaalsContact O-N 3.12Å
368I48Very low44.8Very low170 Ų170160.9 Ų160.987%0.87283%0.825SS**  trans-66.7102.6162.3-65.6170.5000105.5K366K366-I368 PolarHBondContact O-N 3.25Å
369K48.4Very low45.1Very low177 Ų177166.7 Ų166.777%0.7784%0.835SS**  trans-134.3106.5166.5-109.8-176.1178.3178.50108.3T367T367-K369 HydrophobicContact CG2-CB 4.18Å; T367-K369 HydrophobicContact CG2-CD 4.32Å; T367-K369 HydrophobicContact CG2-CG 4.16Å; T367-K369 PolarHBondContact O-N 3.33Å; T367-K369 VanDerWaalsContact O-N 3.12Å
370R39.4Very low45.2Very low239 Ų239160.7 Ų160.790%0.90283%0.829SS**  trans48.5111.1147.5-69.5-179164.4-166.1-5.6118.8
371Q43.4Very low45.3Very low275 Ų275164.3 Ų164.3100%1.28583%0.828SS**  -138.10112.5-90.7-172-4.800108.8

Retrieved 371 of 371 residues in 201.4 ms (Link to these results)