A0A077Z6F5_TRITR Loading...

Cuticle collagen 34

AlphaFold DB , UniProt , Accession A0A077Z6F5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 304 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
1M67.3Low89.4Confident205 Ų205111.5 Ų111.5100%1.0158%0.584SS**  0122.80-76.6-169176.900108.3
2D84.3Confident89.8Confident126 Ų126115.1 Ų115.167%0.67459%0.591SS**  trans-74152.2-172.5-43.3-72.5000111.8A4 C5 R6D2-A4 PolarHBondContact O-N 3.3Å; D2-A4 VanDerWaalsContact O-N 3.14Å; D2-C5 WeakPolarHBondContact O-CB 3Å; D2-C5 PolarHBondContact O-N 3.46Å; D2-R6 PolarHBondContact O-N 3.23Å
3G90.3Very high90.3Very high49 Ų49113 Ų11351%0.50559%0.587SS.*Hα-helixtrans-55-35.2-179.300000113C5 R6 I7G3-C5 VanDerWaalsContact C-N 3.3Å; G3-C5 PolarHBondContact O-N 2.98Å; G3-R6 PolarHBondContact O-N 3.4Å; G3-I7 WeakPolarHBondContact O-CG1 3.35Å; G3-I7 PolarHBondContact O-N 3.46Å
4A90.2Very high90.7Very high63 Ų63109.8 Ų109.852%0.52158%0.579SS.*Hα-helixtrans-60.2-34.7174.800000113.4D2 K8D2-A4 PolarHBondContact O-N 3.3Å; D2-A4 VanDerWaalsContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-CG 3.32Å; A4-K8 WeakPolarHBondContact O-CG 3.48Å; A4-K8 PolarHBondContact O-N 3.38Å; A4-K8 VanDerWaalsContact O-N 3.08Å
5C91.2Very high91Very high66 Ų66112.7 Ų112.745%0.44658%0.58SS.*Hα-helixtrans-68.5-46.7175.6-174.50000110.8D2 G3 I7 K8 A9D2-C5 WeakPolarHBondContact O-CB 3Å; D2-C5 PolarHBondContact O-N 3.46Å; G3-C5 VanDerWaalsContact C-N 3.3Å; G3-C5 PolarHBondContact O-N 2.98Å; C5-I7 PolarHBondContact O-N 3.1Å; C5-K8 PolarHBondContact O-N 3.34Å; C5-A9 PolarHBondContact O-N 3.24Å
6R92.5Very high91.4Very high144 Ų144107.9 Ų107.954%0.54356%0.56SS.*Hα-helixtrans-59.9-43.7175.7-68.6-173.466.3-172-2.1112.1D2 G3 K8 A9 Y10D2-R6 PolarHBondContact O-N 3.23Å; G3-R6 PolarHBondContact O-N 3.4Å; R6-K8 PolarHBondContact O-N 2.99Å; R6-A9 PolarHBondContact O-N 3.02Å; R6-Y10 HydrophobicContact CB-CD2 4.46Å; R6-Y10 HydrophobicContact CB-CE2 4.28Å; R6-Y10 PolarHBondContact NH2-OH 3.11Å; R6-Y10 WeakPolarHBondContact O-CD2 3.1Å; R6-Y10 PolarHBondContact O-N 3.08Å
7I93.3Very high91.7Very high101 Ų101104.5 Ų104.552%0.51855%0.551SS.*Hα-helixtrans-63.5-41.1178.4-67.3164.6000111.2G3 C5 K11G3-I7 WeakPolarHBondContact O-CG1 3.35Å; G3-I7 PolarHBondContact O-N 3.46Å; C5-I7 PolarHBondContact O-N 3.1Å; I7-K11 HydrophobicContact CG2-CD 4.43Å; I7-K11 WeakPolarHBondContact O-CB 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.27Å; I7-K11 PolarHBondContact O-N 3.28Å
8K92.4Very high92Very high156 Ų156101.6 Ų101.668%0.67854%0.544SS*.Hα-helixtrans-61-43.5173.5-75.3175.3179.9-176.70111.8A4 C5 R6 K11 F12A4-K8 VanDerWaalsContact O-CG 3.32Å; A4-K8 WeakPolarHBondContact O-CG 3.48Å; A4-K8 PolarHBondContact O-N 3.38Å; A4-K8 VanDerWaalsContact O-N 3.08Å; C5-K8 PolarHBondContact O-N 3.34Å; R6-K8 PolarHBondContact O-N 2.99Å; K8-K11 PolarHBondContact O-N 3.11Å; K8-F12 WeakPolarHBondContact O-CB 3.34Å; K8-F12 PolarHBondContact O-N 3Å
9A93.3Very high92.2Very high54 Ų54100.6 Ų100.645%0.44654%0.543SS..Hα-helixtrans-63.7-48.2177.400000112.7C5 R6 K11 F12 V13C5-A9 PolarHBondContact O-N 3.24Å; R6-A9 PolarHBondContact O-N 3.02Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.78Å; A9-F12 PolarHBondContact O-N 3.22Å; A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.2Å
10Y94.2Very high92.4Very high148 Ų148103 Ų10358%0.5855%0.548SS*.Hα-helixtrans-61.1-40.9175.7-73.3-62.3000112.1R6 V13 S14R6-Y10 HydrophobicContact CB-CD2 4.46Å; R6-Y10 HydrophobicContact CB-CE2 4.28Å; R6-Y10 PolarHBondContact NH2-OH 3.11Å; R6-Y10 WeakPolarHBondContact O-CD2 3.1Å; R6-Y10 PolarHBondContact O-N 3.08Å; Y10-V13 PolarHBondContact O-N 3Å; Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.1Å; Y10-S14 PolarHBondContact O-OG 3.38Å
11K94.3Very high92.7Very high115 Ų115101.8 Ų101.850%0.555%0.548SS..Hα-helixtrans-60-49.8174-78.3-171.8177.2-167.90111.3I7 K8 A9 V13 S14 Y15I7-K11 HydrophobicContact CG2-CD 4.43Å; I7-K11 WeakPolarHBondContact O-CB 3.23Å; I7-K11 WeakPolarHBondContact O-CG 3.27Å; I7-K11 PolarHBondContact O-N 3.28Å; K8-K11 PolarHBondContact O-N 3.11Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.78Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.36Å; K11-S14 WeakPolarHBondContact CA-OG 3.47Å; K11-S14 PolarHBondContact O-N 3.22Å; K11-S14 VanDerWaalsContact O-N 3.13Å; K11-S14 PolarHBondContact O-OG 3.46Å; K11-Y15 HydrophobicContact CB-CD2 4.29Å; K11-Y15 HydrophobicContact CB-CE2 3.99Å; K11-Y15 WeakPolarHBondContact O-CD2 3.03Å; K11-Y15 PolarHBondContact O-N 3.01Å
12F94.6Very high94.1Very high154 Ų15496.2 Ų96.268%0.67553%0.525SS*.Hα-helixtrans-56-45177.5-178.5-100.1000112.6K8 A9 Y15 S16K8-F12 WeakPolarHBondContact O-CB 3.34Å; K8-F12 PolarHBondContact O-N 3Å; A9-F12 PolarHBondContact O-N 3.22Å; F12-Y15 PolarHBondContact O-N 3.11Å; F12-S16 PolarHBondContact O-N 3.47Å; F12-S16 PolarHBondContact O-OG 3.39Å
13V95.7Very high94.7Very high88 Ų8894.6 Ų94.653%0.53352%0.519SS..Hα-helixtrans-65.6-39.7176173.70000112.1A9 Y10 K11 S16 A17A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.2Å; Y10-V13 PolarHBondContact O-N 3Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.36Å; V13-S16 PolarHBondContact O-OG 3.4Å; V13-S16 VanDerWaalsContact O-OG 3.1Å; V13-A17 VanDerWaalsContact O-CB 3.27Å; V13-A17 WeakPolarHBondContact O-CB 3.23Å; V13-A17 PolarHBondContact O-N 3.46Å
14S96Very high95.1Very high68 Ų6895.1 Ų95.148%0.47652%0.519SS..Hα-helixtrans-67.6-37.9176.8690000112.7Y10 K11 A18Y10-S14 WeakPolarHBondContact O-CB 3.3Å; Y10-S14 PolarHBondContact O-N 3.1Å; Y10-S14 PolarHBondContact O-OG 3.38Å; K11-S14 WeakPolarHBondContact CA-OG 3.47Å; K11-S14 PolarHBondContact O-N 3.22Å; K11-S14 VanDerWaalsContact O-N 3.13Å; K11-S14 PolarHBondContact O-OG 3.46Å; S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.23Å; S14-A18 PolarHBondContact O-N 3.22Å
15Y96.2Very high95.4Very high153 Ų15396.4 Ų96.460%0.652%0.521SS*.Hα-helixtrans-69.7-44.1175.4-69.8-53.7000111.7K11 F12 A18 T19K11-Y15 HydrophobicContact CB-CD2 4.29Å; K11-Y15 HydrophobicContact CB-CE2 3.99Å; K11-Y15 WeakPolarHBondContact O-CD2 3.03Å; K11-Y15 PolarHBondContact O-N 3.01Å; F12-Y15 PolarHBondContact O-N 3.11Å; Y15-A18 PolarHBondContact O-N 2.99Å; Y15-T19 WeakPolarHBondContact O-CG2 3.46Å; Y15-T19 PolarHBondContact O-N 3.48Å; Y15-T19 PolarHBondContact O-OG1 3.12Å
16S96.2Very high95.7Very high37 Ų3798 Ų9826%0.25952%0.524SS..Hα-helixtrans-62.1-48.4177.465.20000111F12 V13 A18 T19 F20F12-S16 PolarHBondContact O-N 3.47Å; F12-S16 PolarHBondContact O-OG 3.39Å; V13-S16 PolarHBondContact O-OG 3.4Å; V13-S16 VanDerWaalsContact O-OG 3.1Å; S16-A18 PolarHBondContact O-N 3.46Å; S16-T19 WeakPolarHBondContact CA-OG1 3.32Å; S16-T19 PolarHBondContact O-N 3.36Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.86Å; S16-F20 WeakPolarHBondContact O-CD2 3.39Å; S16-F20 PolarHBondContact O-N 3.25Å
17A96.8Very high95.9Very high49 Ų4994.6 Ų94.641%0.40552%0.522SS..Hα-helixtrans-55.5-46.8174.700000112.6V13 T19 F20 S21V13-A17 VanDerWaalsContact O-CB 3.27Å; V13-A17 WeakPolarHBondContact O-CB 3.23Å; V13-A17 PolarHBondContact O-N 3.46Å; A17-T19 PolarHBondContact O-N 3.01Å; A17-F20 PolarHBondContact O-N 3.03Å; A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 2.96Å
18A96.7Very high96.1Very high52 Ų5291.7 Ų91.743%0.4351%0.514SS..Hα-helixtrans-62.5-42.6176.700000112.4S14 Y15 S16 S21 V22S14-A18 VanDerWaalsContact O-CB 3.29Å; S14-A18 WeakPolarHBondContact O-CB 3.23Å; S14-A18 PolarHBondContact O-N 3.22Å; Y15-A18 PolarHBondContact O-N 2.99Å; S16-A18 PolarHBondContact O-N 3.46Å; A18-S21 PolarHBondContact O-N 2.82Å; A18-V22 WeakPolarHBondContact O-CG2 3.35Å; A18-V22 PolarHBondContact O-N 2.85Å
19T96.6Very high96.3Very high83 Ų8388 Ų8851%0.50951%0.506SS..Hα-helixtrans-64.6-40176.354.70000112.4Y15 S16 A17 V22 V23Y15-T19 WeakPolarHBondContact O-CG2 3.46Å; Y15-T19 PolarHBondContact O-N 3.48Å; Y15-T19 PolarHBondContact O-OG1 3.12Å; S16-T19 WeakPolarHBondContact CA-OG1 3.32Å; S16-T19 PolarHBondContact O-N 3.36Å; S16-T19 VanDerWaalsContact O-N 3.17Å; S16-T19 PolarHBondContact O-OG1 2.86Å; A17-T19 PolarHBondContact O-N 3.01Å; T19-V22 PolarHBondContact O-N 3.37Å; T19-V23 WeakPolarHBondContact O-CB 3.46Å; T19-V23 VanDerWaalsContact O-CG2 3.27Å; T19-V23 WeakPolarHBondContact O-CG2 3.15Å; T19-V23 PolarHBondContact O-N 3.49Å
20F97Very high96.4Very high149 Ų14991.2 Ų91.265%0.65452%0.515SS*.Hα-helixtrans-63.2-41.9174.6-72.5-58.9000112S16 A17 V23 A24S16-F20 WeakPolarHBondContact O-CD2 3.39Å; S16-F20 PolarHBondContact O-N 3.25Å; A17-F20 PolarHBondContact O-N 3.03Å; F20-V23 PolarHBondContact O-N 2.87Å; F20-A24 VanDerWaalsContact O-CB 3.29Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.46Å
21S97.2Very high96.5Very high78 Ų7886.3 Ų86.355%0.54550%0.502SS..Hα-helixtrans-61.8-44.7174.6-63.70000112.4A17 A18 A24 V25A17-S21 PolarHBondContact O-N 3.19Å; A17-S21 PolarHBondContact O-OG 2.96Å; A18-S21 PolarHBondContact O-N 2.82Å; S21-A24 PolarHBondContact O-N 2.82Å; S21-V25 WeakPolarHBondContact O-CG2 3.2Å; S21-V25 PolarHBondContact O-N 3.19Å
22V97.4Very high96.6Very high87 Ų8786.2 Ų86.253%0.52751%0.507SS..Hα-helixtrans-64.7-44.6177.5171.10000111.3A18 T19 A24 V25 L26A18-V22 WeakPolarHBondContact O-CG2 3.35Å; A18-V22 PolarHBondContact O-N 2.85Å; T19-V22 PolarHBondContact O-N 3.37Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.4Å; V22-V25 PolarHBondContact O-N 2.86Å; V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.92Å
23V97.4Very high96.7Very high92 Ų9282.5 Ų82.556%0.55850%0.498SS*.Hα-helixtrans-63.5-39.2176.9169.60000111.5T19 F20 L26 S27T19-V23 WeakPolarHBondContact O-CB 3.46Å; T19-V23 VanDerWaalsContact O-CG2 3.27Å; T19-V23 WeakPolarHBondContact O-CG2 3.15Å; T19-V23 PolarHBondContact O-N 3.49Å; F20-V23 PolarHBondContact O-N 2.87Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.32Å
24A97.4Very high96.8Very high61 Ų6183 Ų8350%0.50450%0.501SS..Hα-helixtrans-64.3-43.6175.600000112.2F20 S21 V22 S27 A28F20-A24 VanDerWaalsContact O-CB 3.29Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.46Å; S21-A24 PolarHBondContact O-N 2.82Å; V22-A24 VanDerWaalsContact C-N 3.34Å; V22-A24 PolarHBondContact O-N 3.4Å; A24-S27 PolarHBondContact O-N 3.37Å; A24-A28 PolarHBondContact O-N 3.1Å
25V97.6Very high96.8Very high90 Ų9083.9 Ų83.955%0.54550%0.499SS..Hα-helixtrans-64.5-46.1176171.20000111.1S21 V22 S27 A28 C29S21-V25 WeakPolarHBondContact O-CG2 3.2Å; S21-V25 PolarHBondContact O-N 3.19Å; V22-V25 PolarHBondContact O-N 2.86Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.13Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.46Å; V25-C29 PolarHBondContact O-N 2.83Å; V25-C29 PolarHBondContact O-SG 3.3Å
26L96.7Very high96.8Very high99 Ų9983.9 Ų83.952%0.51850%0.499SS..Hα-helixtrans-61.6-40.4176.6-69.9172.2000111.9V22 V23 C29 I30V22-L26 HydrophobicContact CG1-CD1 3.86Å; V22-L26 HydrophobicContact CG1-CG 4.36Å; V22-L26 WeakPolarHBondContact O-CB 3.14Å; V22-L26 VanDerWaalsContact O-CG 3.31Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 2.92Å; V23-L26 PolarHBondContact O-N 2.86Å; L26-C29 PolarHBondContact O-N 3.13Å; L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.96Å
27S96.9Very high96.8Very high72 Ų7287.5 Ų87.550%0.50352%0.516SS..Hα-helixtrans-61.6-41.7174.2-173.80000112.2V23 A24 V25 I30 S31V23-S27 VanDerWaalsContact O-CB 3.25Å; V23-S27 WeakPolarHBondContact O-CB 3.46Å; V23-S27 PolarHBondContact O-N 3.32Å; A24-S27 PolarHBondContact O-N 3.37Å; V25-S27 VanDerWaalsContact C-N 3.32Å; V25-S27 PolarHBondContact O-N 3.13Å; S27-I30 PolarHBondContact O-N 3.09Å; S27-S31 WeakPolarHBondContact O-CB 3.05Å; S27-S31 PolarHBondContact O-N 2.04Å; S27-S31 PolarHBondContact O-OG 3.39Å
28A97Very high96.8Very high41 Ų4191.4 Ų91.434%0.33952%0.521SS..Hα-helixtrans-63.8-44.8172.900000111.9A24 V25 I30 S31 L32A24-A28 PolarHBondContact O-N 3.1Å; V25-A28 WeakPolarHBondContact O-CB 3.22Å; V25-A28 PolarHBondContact O-N 3.46Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 3.24Å; A28-S31 WeakPolarHBondContact CA-OG 3.14Å; A28-S31 PolarHBondContact O-N 3.24Å; A28-S31 PolarHBondContact O-OG 3.05Å; A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.28Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 3.12Å
29C96.9Very high96.8Very high78 Ų7892.7 Ų92.753%0.52752%0.52SS..Hα-helixtrans-63.3-27.8178.1-69.20000113.7V25 L26 P33V25-C29 PolarHBondContact O-N 2.83Å; V25-C29 PolarHBondContact O-SG 3.3Å; L26-C29 PolarHBondContact O-N 3.13Å; C29-P33 WeakPolarHBondContact O-CD 3.32Å; C29-P33 VanDerWaalsContact O-CG 3.31Å; C29-P33 WeakPolarHBondContact O-CG 3.11Å
30I96.3Very high96.7Very high121 Ų12192 Ų9262%0.62151%0.511SS*.Hα-helixtrans-86.6-40.3175.9-65.7164.9000111.3L26 S27 A28 V34L26-I30 WeakPolarHBondContact O-CG1 3.39Å; L26-I30 PolarHBondContact O-N 2.96Å; S27-I30 PolarHBondContact O-N 3.09Å; A28-I30 VanDerWaalsContact C-N 3.26Å; A28-I30 PolarHBondContact O-N 3.24Å; I30-V34 WeakPolarHBondContact O-CG2 3.44Å
31S96.5Very high96.6Very high45 Ų4589.4 Ų89.432%0.31550%0.501SS..Hα-helixtrans-73.8-37.6-177.654.50000113.5S27 A28 V34 I35S27-S31 WeakPolarHBondContact O-CB 3.05Å; S27-S31 PolarHBondContact O-N 2.04Å; S27-S31 PolarHBondContact O-OG 3.39Å; A28-S31 WeakPolarHBondContact CA-OG 3.14Å; A28-S31 PolarHBondContact O-N 3.24Å; A28-S31 PolarHBondContact O-OG 3.05Å; S31-V34 PolarHBondContact O-N 2.92Å; S31-I35 WeakPolarHBondContact O-CB 3.41Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.1Å; S31-I35 PolarHBondContact O-N 3.11Å
32L96.5Very high96.5Very high114 Ų11487.8 Ų87.860%0.59749%0.487SS*.Hα-helixtrans-60.2-46.2-178.6-73.1168.5000113.5A28 V34 I35 Y36A28-L32 WeakPolarHBondContact O-CB 3.3Å; A28-L32 VanDerWaalsContact O-CG 3.28Å; A28-L32 WeakPolarHBondContact O-CG 3.46Å; A28-L32 PolarHBondContact O-N 3.12Å; L32-V34 PolarHBondContact O-N 3.18Å; L32-I35 PolarHBondContact O-N 2.93Å; L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.14Å
33P96.3Very high96.4Very high76 Ų7688.7 Ų88.749%0.49448%0.484SS..Hα-helixtrans-62.9-37.3173.4-24.735.3000113.9C29 Y36 N37C29-P33 WeakPolarHBondContact O-CD 3.32Å; C29-P33 VanDerWaalsContact O-CG 3.31Å; C29-P33 WeakPolarHBondContact O-CG 3.11Å; P33-Y36 PolarHBondContact O-N 3.05Å; P33-N37 VanDerWaalsContact O-CB 3.32Å; P33-N37 WeakPolarHBondContact O-CB 3.06Å; P33-N37 PolarHBondContact O-N 3.44Å
34V96.5Very high96.2Very high98 Ų9889.5 Ų89.559%0.59449%0.485SS*.Hα-helixtrans-67.1-44178.1173.60000110.7I30 S31 L32 N37 Y38I30-V34 WeakPolarHBondContact O-CG2 3.44Å; S31-V34 PolarHBondContact O-N 2.92Å; L32-V34 PolarHBondContact O-N 3.18Å; V34-N37 PolarHBondContact O-N 3.41Å; V34-Y38 WeakPolarHBondContact O-CB 3.13Å; V34-Y38 PolarHBondContact O-N 3.43Å
35I96.6Very high96Very high87 Ų8790.6 Ų90.645%0.44648%0.479SS..Hα-helixtrans-63.3-43.2174.9-68.5164.3000110.5S31 L32 Y38 I39S31-I35 WeakPolarHBondContact O-CB 3.41Å; S31-I35 VanDerWaalsContact O-CG1 3.27Å; S31-I35 WeakPolarHBondContact O-CG1 3.1Å; S31-I35 PolarHBondContact O-N 3.11Å; L32-I35 PolarHBondContact O-N 2.93Å; I35-Y38 PolarHBondContact O-N 3.1Å; I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.33Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.33Å
36Y96.5Very high95.7Very high152 Ų15291.2 Ų91.260%0.59648%0.477SS*.Hα-helixtrans-61.9-46.6176.9-175.5-88.8000112L32 P33 I39 Q40L32-Y36 WeakPolarHBondContact O-CB 3.4Å; L32-Y36 PolarHBondContact O-N 3.14Å; P33-Y36 PolarHBondContact O-N 3.05Å; Y36-I39 PolarHBondContact O-N 3.06Å; Y36-Q40 HydrophobicContact CD1-CG 4.1Å; Y36-Q40 HydrophobicContact CE1-CG 3.7Å; Y36-Q40 WeakPolarHBondContact O-CG 3.49Å; Y36-Q40 PolarHBondContact O-N 3.42Å; Y36-Q40 PolarHBondContact OH-NE2 2.88Å
37N95.9Very high95.6Very high113 Ų11392.7 Ų92.760%0.60448%0.481SS*.Hα-helixtrans-60.9-47176.3-172.2-35.8000110.9P33 V34 I39 Q40 H41P33-N37 VanDerWaalsContact O-CB 3.32Å; P33-N37 WeakPolarHBondContact O-CB 3.06Å; P33-N37 PolarHBondContact O-N 3.44Å; V34-N37 PolarHBondContact O-N 3.41Å; N37-I39 PolarHBondContact O-N 3.39Å; N37-Q40 PolarHBondContact O-N 3.08Å; N37-Q40 VanDerWaalsContact O-N 3.12Å; N37-H41 PolarHBondContact O-N 3.43Å
38Y96.4Very high95.4Very high131 Ų13196 Ų9651%0.51448%0.483SS..Hα-helixtrans-57.1-45.5175.7-177.7-103.1000112.4V34 I35 Q40 H41 V42V34-Y38 WeakPolarHBondContact O-CB 3.13Å; V34-Y38 PolarHBondContact O-N 3.43Å; I35-Y38 PolarHBondContact O-N 3.1Å; Y38-Q40 VanDerWaalsContact C-N 3.34Å; Y38-Q40 PolarHBondContact O-N 3.01Å; Y38-H41 PolarHBondContact O-N 3.29Å; Y38-V42 HydrophobicContact CD1-CG2 4.28Å; Y38-V42 HydrophobicContact CD2-CG2 4.45Å; Y38-V42 HydrophobicContact CE1-CG2 3.92Å; Y38-V42 HydrophobicContact CE2-CG2 4.11Å; Y38-V42 WeakPolarHBondContact O-CB 3.3Å; Y38-V42 VanDerWaalsContact O-CG2 3.28Å; Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.37Å
39I96.5Very high95.1Very high79 Ų7997.8 Ų97.841%0.40549%0.487SS..Hα-helixtrans-62.4-40176.3-70.6166.9000111.4I35 Y36 N37 K43I35-I39 HydrophobicContact CG2-CD1 3.77Å; I35-I39 HydrophobicContact CG2-CG1 4.48Å; I35-I39 WeakPolarHBondContact O-CB 3.33Å; I35-I39 VanDerWaalsContact O-CG1 3.27Å; I35-I39 WeakPolarHBondContact O-CG1 3.32Å; I35-I39 PolarHBondContact O-N 3.33Å; Y36-I39 PolarHBondContact O-N 3.06Å; N37-I39 PolarHBondContact O-N 3.39Å; I39-K43 HydrophobicContact CG2-CD 4.26Å; I39-K43 WeakPolarHBondContact O-CB 3.02Å; I39-K43 VanDerWaalsContact O-CG 3.31Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 3.37Å
40Q95.5Very high94.8Very high69 Ų6999.6 Ų99.632%0.32249%0.491SS..Hα-helixtrans-68.4-42.9176.5-67.7-68.519.200112.2Y36 N37 Y38 V42 K43 L44Y36-Q40 HydrophobicContact CD1-CG 4.1Å; Y36-Q40 HydrophobicContact CE1-CG 3.7Å; Y36-Q40 WeakPolarHBondContact O-CG 3.49Å; Y36-Q40 PolarHBondContact O-N 3.42Å; Y36-Q40 PolarHBondContact OH-NE2 2.88Å; N37-Q40 PolarHBondContact O-N 3.08Å; N37-Q40 VanDerWaalsContact O-N 3.12Å; Y38-Q40 VanDerWaalsContact C-N 3.34Å; Y38-Q40 PolarHBondContact O-N 3.01Å; Q40-V42 VanDerWaalsContact C-N 3.34Å; Q40-V42 PolarHBondContact O-N 3.01Å; Q40-K43 PolarHBondContact O-N 2.99Å; Q40-L44 WeakPolarHBondContact O-CB 3.38Å; Q40-L44 WeakPolarHBondContact O-CG 3.33Å; Q40-L44 PolarHBondContact O-N 3.03Å
41H95.1Very high94.5Very high95 Ų95100.2 Ų100.244%0.4449%0.493SS..Hα-helixtrans-59.4-45.8174.2-174.3-78.1000111.3N37 Y38 K43 L44 Q45N37-H41 PolarHBondContact O-N 3.43Å; Y38-H41 PolarHBondContact O-N 3.29Å; H41-K43 PolarHBondContact O-N 3.29Å; H41-L44 PolarHBondContact O-N 3.44Å; H41-Q45 WeakPolarHBondContact O-CB 3.46Å; H41-Q45 PolarHBondContact O-N 3.04Å
42V95.2Very high94.1Very high43 Ų43103.9 Ų103.926%0.26151%0.508SS..Hα-helixtrans-63.2-38.8177.4165.40000111.9Y38 Q40 Q45 M46Y38-V42 HydrophobicContact CD1-CG2 4.28Å; Y38-V42 HydrophobicContact CD2-CG2 4.45Å; Y38-V42 HydrophobicContact CE1-CG2 3.92Å; Y38-V42 HydrophobicContact CE2-CG2 4.11Å; Y38-V42 WeakPolarHBondContact O-CB 3.3Å; Y38-V42 VanDerWaalsContact O-CG2 3.28Å; Y38-V42 WeakPolarHBondContact O-CG2 3.48Å; Y38-V42 PolarHBondContact O-N 3.37Å; Q40-V42 VanDerWaalsContact C-N 3.34Å; Q40-V42 PolarHBondContact O-N 3.01Å; V42-Q45 PolarHBondContact O-N 3.22Å; V42-M46 HydrophobicContact CG1-CE 3.7Å; V42-M46 PolarHBondContact O-N 2.89Å
43K94Very high93.8Very high107 Ų107101.9 Ų101.947%0.46550%0.503SS..Hα-helixtrans-64.1-42.6172.5-78.2176177.1-175.80112.8I39 Q40 H41 Q45 H47I39-K43 HydrophobicContact CG2-CD 4.26Å; I39-K43 WeakPolarHBondContact O-CB 3.02Å; I39-K43 VanDerWaalsContact O-CG 3.31Å; I39-K43 WeakPolarHBondContact O-CG 3.43Å; I39-K43 PolarHBondContact O-N 3.37Å; Q40-K43 PolarHBondContact O-N 2.99Å; H41-K43 PolarHBondContact O-N 3.29Å; K43-Q45 VanDerWaalsContact C-N 3.34Å; K43-H47 PolarHBondContact O-N 3.12Å; K43-H47 PolarHBondContact O-ND1 3.1Å
44L93.5Very high93.5Very high108 Ų108104.3 Ų104.357%0.56551%0.506SS*.Hα-helixtrans-72.8-25.9178.3-71.3170.3000113.1Q40 H41 R48Q40-L44 WeakPolarHBondContact O-CB 3.38Å; Q40-L44 WeakPolarHBondContact O-CG 3.33Å; Q40-L44 PolarHBondContact O-N 3.03Å; H41-L44 PolarHBondContact O-N 3.44Å; L44-R48 PolarHBondContact O-N 3.14Å; L44-R48 PolarHBondContact O-NE 3.21Å
45Q93.1Very high93Very high84 Ų84105.4 Ų105.439%0.39350%0.504SS..Hα-helixtrans-71.5-56.9169.6-179.1162.4-2.900109.7H41 V42 K43 H47 R48 D49H41-Q45 WeakPolarHBondContact O-CB 3.46Å; H41-Q45 PolarHBondContact O-N 3.04Å; V42-Q45 PolarHBondContact O-N 3.22Å; K43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-H47 PolarHBondContact O-N 3.42Å; Q45-H47 VanDerWaalsContact O-N 3.11Å; Q45-R48 WeakPolarHBondContact O-CA 3.18Å; Q45-R48 WeakPolarHBondContact O-CB 3.38Å; Q45-R48 PolarHBondContact O-N 2.85Å; Q45-D49 VanDerWaalsContact CG-OD2 3.3Å; Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 PolarHBondContact O-N 3.48Å
46M92.5Very high92.5Very high103 Ų103104 Ų10451%0.50750%0.502SS..Hα-helixtrans-54.9-35176.6-77.8-165.5-83.100113.6V42 L50V42-M46 HydrophobicContact CG1-CE 3.7Å; V42-M46 PolarHBondContact O-N 2.89Å; M46-L50 VanDerWaalsContact O-CB 3.24Å; M46-L50 WeakPolarHBondContact O-CB 3.4Å; M46-L50 WeakPolarHBondContact O-CD1 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.39Å; M46-L50 PolarHBondContact O-N 3.16Å
47H93.5Very high91.9Very high130 Ų130100.5 Ų100.560%0.60250%0.497SS*.Hα-helixtrans-66.3-38.8173.8-85.372.1000113.3K43 Q45 M51K43-H47 PolarHBondContact O-N 3.12Å; K43-H47 PolarHBondContact O-ND1 3.1Å; Q45-H47 PolarHBondContact O-N 3.42Å; Q45-H47 VanDerWaalsContact O-N 3.11Å; H47-M51 WeakPolarHBondContact O-CB 3.42Å; H47-M51 WeakPolarHBondContact O-CG 3.39Å; H47-M51 PolarHBondContact O-N 3.3Å; H47-M51 VanDerWaalsContact O-N 3.11Å
48R93.4Very high91.3Very high142 Ų142100.6 Ų100.654%0.53649%0.493SS..Hα-helixtrans-67.7-45.9174.5-77.9178.5-74.9165.6-3110.8L44 Q45 L50 M51 L52L44-R48 PolarHBondContact O-N 3.14Å; L44-R48 PolarHBondContact O-NE 3.21Å; Q45-R48 WeakPolarHBondContact O-CA 3.18Å; Q45-R48 WeakPolarHBondContact O-CB 3.38Å; Q45-R48 PolarHBondContact O-N 2.85Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.42Å; R48-M51 PolarHBondContact O-N 2.99Å; R48-M51 VanDerWaalsContact O-N 3.14Å; R48-L52 WeakPolarHBondContact O-CG 3.32Å; R48-L52 PolarHBondContact O-N 3.4Å
49D89.9Confident90.7Very high79 Ų7999.2 Ų99.242%0.42249%0.491SS..Hα-helixtrans-62.8-40.5-179.2-53.5-21.5000111.1Q45 C53Q45-D49 VanDerWaalsContact CG-OD2 3.3Å; Q45-D49 WeakPolarHBondContact CG-OD2 3.46Å; Q45-D49 PolarHBondContact O-N 3.48Å; D49-C53 WeakPolarHBondContact O-CB 3.33Å; D49-C53 PolarHBondContact O-N 2.9Å
50L91.7Very high90Very high116 Ų11699 Ų9961%0.60749%0.494SS*.Hα-helixtrans-66.6-36.7173.7-76.2169.2000113.3M46 R48 K54M46-L50 VanDerWaalsContact O-CB 3.24Å; M46-L50 WeakPolarHBondContact O-CB 3.4Å; M46-L50 WeakPolarHBondContact O-CD1 3.31Å; M46-L50 WeakPolarHBondContact O-CG 3.39Å; M46-L50 PolarHBondContact O-N 3.16Å; R48-L50 VanDerWaalsContact C-N 3.33Å; R48-L50 PolarHBondContact O-N 3.42Å; L50-K54 VanDerWaalsContact O-CB 3.32Å; L50-K54 WeakPolarHBondContact O-CB 3.04Å; L50-K54 PolarHBondContact O-N 3.43Å
51M88.9Confident89.3Confident134 Ų134101.1 Ų101.166%0.6651%0.507SS*.Hα-helixtrans-69.5-42.1176.8-73.4-70.3-70.600111.7H47 R48 K54 Q55H47-M51 WeakPolarHBondContact O-CB 3.42Å; H47-M51 WeakPolarHBondContact O-CG 3.39Å; H47-M51 PolarHBondContact O-N 3.3Å; H47-M51 VanDerWaalsContact O-N 3.11Å; R48-M51 PolarHBondContact O-N 2.99Å; R48-M51 VanDerWaalsContact O-N 3.14Å; M51-K54 PolarHBondContact O-N 2.9Å; M51-Q55 PolarHBondContact O-N 3.33Å; M51-Q55 VanDerWaalsContact O-N 3.08Å
52L89.2Confident88.6Confident121 Ų121103 Ų10363%0.63452%0.515SS*.Hα-helixtrans-63.7-46.2173.8-68.1170.8000111.3R48 K54 Q55 S56R48-L52 WeakPolarHBondContact O-CG 3.32Å; R48-L52 PolarHBondContact O-N 3.4Å; L52-K54 PolarHBondContact O-N 3.12Å; L52-Q55 PolarHBondContact O-N 2.84Å; L52-S56 PolarHBondContact O-N 3.39Å
53C90.7Very high87.8Confident73 Ų73106.4 Ų106.449%0.49353%0.529SS..Hα-helixtrans-59.2-43.2175.3-1800000112.2D49 Q55 S56 T57D49-C53 WeakPolarHBondContact O-CB 3.33Å; D49-C53 PolarHBondContact O-N 2.9Å; C53-Q55 VanDerWaalsContact C-N 3.33Å; C53-Q55 PolarHBondContact O-N 3.45Å; C53-S56 PolarHBondContact O-N 3.25Å; C53-T57 WeakPolarHBondContact O-CG2 3.35Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 2.9Å; C53-T57 VanDerWaalsContact O-OG1 3.05Å
54K88.2Confident87.3Confident127 Ų127105.3 Ų105.355%0.55253%0.531SS*.Hα-helixtrans-61-41.1175.2-177.5-178.4174.7-172.30112L50 M51 L52 T57 H58L50-K54 VanDerWaalsContact O-CB 3.32Å; L50-K54 WeakPolarHBondContact O-CB 3.04Å; L50-K54 PolarHBondContact O-N 3.43Å; M51-K54 PolarHBondContact O-N 2.9Å; L52-K54 PolarHBondContact O-N 3.12Å; K54-T57 PolarHBondContact O-OG1 3.46Å; K54-H58 PolarHBondContact O-CD2 2.92Å; K54-H58 PolarHBondContact O-N 3.36Å
55Q87.4Confident86.5Confident120 Ų120106.4 Ų106.456%0.56153%0.531SS*.Hα-helixtrans-69.4-45.1178.1-174.9168.8-35.100111.6M51 L52 C53 T57 H58 E59M51-Q55 PolarHBondContact O-N 3.33Å; M51-Q55 VanDerWaalsContact O-N 3.08Å; L52-Q55 PolarHBondContact O-N 2.84Å; C53-Q55 VanDerWaalsContact C-N 3.33Å; C53-Q55 PolarHBondContact O-N 3.45Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.45Å; Q55-H58 WeakPolarHBondContact O-CB 3.34Å; Q55-H58 PolarHBondContact O-N 2.82Å; Q55-E59 WeakPolarHBondContact CG-OE1 3.3Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 PolarHBondContact O-N 3.42Å; Q55-E59 VanDerWaalsContact O-N 3.1Å
56S85.7Confident85.6Confident59 Ų59111 Ų11141%0.41355%0.546SS..Hα-helixtrans-60.9-36.6177.7-176.70000112.8L52 C53 H58 E59 V60L52-S56 PolarHBondContact O-N 3.39Å; C53-S56 PolarHBondContact O-N 3.25Å; S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 3.48Å; S56-E59 PolarHBondContact O-N 2.91Å; S56-V60 WeakPolarHBondContact O-CG2 3.16Å; S56-V60 PolarHBondContact O-N 3.11Å
57T84.4Confident84.2Confident78 Ų78113.2 Ų113.248%0.47956%0.555SS.*Hα-helixtrans-68.7-26.417451.40000113.5C53 K54 Q55 L61C53-T57 WeakPolarHBondContact O-CG2 3.35Å; C53-T57 PolarHBondContact O-N 3.43Å; C53-T57 PolarHBondContact O-OG1 2.9Å; C53-T57 VanDerWaalsContact O-OG1 3.05Å; K54-T57 PolarHBondContact O-OG1 3.46Å; Q55-T57 VanDerWaalsContact C-N 3.31Å; Q55-T57 PolarHBondContact O-N 3.45Å; T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 PolarHBondContact O-N 2.89Å; T57-L61 VanDerWaalsContact O-N 3.08Å
58H83.7Confident83.3Confident115 Ų115116 Ų11653%0.53256%0.56SS.*Hα-helixtrans-71.6-39.5169.8-82-69000112.4K54 Q55 S56 H62K54-H58 PolarHBondContact O-CD2 2.92Å; K54-H58 PolarHBondContact O-N 3.36Å; Q55-H58 WeakPolarHBondContact O-CB 3.34Å; Q55-H58 PolarHBondContact O-N 2.82Å; S56-H58 VanDerWaalsContact C-N 3.32Å; S56-H58 PolarHBondContact O-N 3.48Å; H58-H62 WeakPolarHBondContact O-CB 3.41Å; H58-H62 PolarHBondContact O-N 2.89Å
59E81.9Confident81.4Confident101 Ų101111.6 Ų111.647%0.47256%0.558SS.*Hα-helixtrans-65.5-52.1177.6-70.5160.4-175.800110.6Q55 S56 L61 H62 E63Q55-E59 WeakPolarHBondContact CG-OE1 3.3Å; Q55-E59 PolarHBondContact NE2-OE1 2.94Å; Q55-E59 PolarHBondContact O-N 3.42Å; Q55-E59 VanDerWaalsContact O-N 3.1Å; S56-E59 PolarHBondContact O-N 2.91Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.25Å; E59-H62 WeakPolarHBondContact O-CB 3.39Å; E59-H62 PolarHBondContact O-N 2.93Å; E59-E63 PolarHBondContact O-N 3.44Å
60V82.2Confident79.4Confident74 Ų74112.2 Ų112.245%0.44856%0.561SS.*Hα-helixtrans-61.7-38.6176.4174.90000112.1S56 H62 E63 V64S56-V60 WeakPolarHBondContact O-CG2 3.16Å; S56-V60 PolarHBondContact O-N 3.11Å; V60-H62 VanDerWaalsContact C-N 3.3Å; V60-H62 PolarHBondContact O-N 3.42Å; V60-E63 PolarHBondContact O-N 2.88Å; V60-V64 HydrophobicContact CG1-CG2 4.27Å; V60-V64 WeakPolarHBondContact O-CB 3.34Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.14Å
61L82.1Confident77Confident115 Ų115112.1 Ų112.160%0.60257%0.566SS**Hα-helixtrans-65.6-33.6175.4-179.662.6000112.2T57 E59 K65T57-L61 WeakPolarHBondContact O-CB 3.28Å; T57-L61 PolarHBondContact O-N 2.89Å; T57-L61 VanDerWaalsContact O-N 3.08Å; E59-L61 VanDerWaalsContact C-N 3.34Å; E59-L61 PolarHBondContact O-N 3.25Å; L61-K65 WeakPolarHBondContact O-CB 3.37Å; L61-K65 PolarHBondContact O-N 3.27Å
62H79.6Confident74.9Confident134 Ų134113.4 Ų113.462%0.6257%0.572SS**Hα-helixtrans-69.4-45.4175.5-173.7-87.8000111.4H58 E59 V60 K65 Y66H58-H62 WeakPolarHBondContact O-CB 3.41Å; H58-H62 PolarHBondContact O-N 2.89Å; E59-H62 WeakPolarHBondContact O-CB 3.39Å; E59-H62 PolarHBondContact O-N 2.93Å; V60-H62 VanDerWaalsContact C-N 3.3Å; V60-H62 PolarHBondContact O-N 3.42Å; H62-K65 PolarHBondContact O-N 3.15Å; H62-Y66 WeakPolarHBondContact O-CB 3.28Å; H62-Y66 PolarHBondContact O-N 3.33Å
63E78.6Confident72.6Confident115 Ų115114.9 Ų114.954%0.53758%0.581SS.*Hα-helixtrans-60.7-48.2174.2-69-178.5158.600111.9E59 V60 K65 Y66 H67E59-E63 PolarHBondContact O-N 3.44Å; V60-E63 PolarHBondContact O-N 2.88Å; E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.86Å; E63-Y66 WeakPolarHBondContact O-CB 3.49Å; E63-Y66 PolarHBondContact O-N 2.97Å; E63-Y66 VanDerWaalsContact O-N 3.15Å; E63-H67 PolarHBondContact O-CD2 2.98Å; E63-H67 PolarHBondContact O-N 2.91Å
64V83.8Confident70.4Confident84 Ų84117.8 Ų117.851%0.50960%0.596SS.*Hα-helixtrans-60.1-38.3176.6169.30000111.3V60 R68V60-V64 HydrophobicContact CG1-CG2 4.27Å; V60-V64 WeakPolarHBondContact O-CB 3.34Å; V60-V64 VanDerWaalsContact O-CG2 3.28Å; V60-V64 WeakPolarHBondContact O-CG2 3.47Å; V60-V64 PolarHBondContact O-N 3.14Å; V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.93Å
65K75.6Confident67.7Low131 Ų131114.8 Ų114.857%0.5760%0.601SS**Hα-helixtrans-68.3-42.1175-171.6179.1177.9-172.90112.2L61 H62 E63 R68 G69 D70L61-K65 WeakPolarHBondContact O-CB 3.37Å; L61-K65 PolarHBondContact O-N 3.27Å; H62-K65 PolarHBondContact O-N 3.15Å; E63-K65 VanDerWaalsContact C-N 3.28Å; E63-K65 PolarHBondContact O-N 2.86Å; K65-R68 PolarHBondContact O-N 2.9Å; K65-G69 PolarHBondContact O-N 3.22Å; K65-D70 WeakPolarHBondContact CE-O 3.31Å
66Y75.3Confident65.3Low179 Ų179115.9 Ų115.970%0.70261%0.611SS**Hα-helixtrans-60.8-48.8177.2-178.4-102.3000111.4H62 E63 R68 G69H62-Y66 WeakPolarHBondContact O-CB 3.28Å; H62-Y66 PolarHBondContact O-N 3.33Å; E63-Y66 WeakPolarHBondContact O-CB 3.49Å; E63-Y66 PolarHBondContact O-N 2.97Å; E63-Y66 VanDerWaalsContact O-N 3.15Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.93Å; Y66-G69 PolarHBondContact O-N 2.89Å
67H61.9Low62.8Low151 Ų151123.8 Ų123.870%0.69963%0.631SS**Hα-helixtrans-71.1-22.9177.4-68.7-59000114.2E63 G69E63-H67 PolarHBondContact O-CD2 2.98Å; E63-H67 PolarHBondContact O-N 2.91Å; H67-G69 VanDerWaalsContact C-N 3.32Å
68R74.3Confident60.3Low189 Ų189131.5 Ų131.571%0.71365%0.652SS**Hα-helixtrans-75-19.1174.1-175.3173.7178127.78.5113.4V64 K65 Y66 D70V64-R68 WeakPolarHBondContact O-CB 3.39Å; V64-R68 PolarHBondContact O-N 2.93Å; K65-R68 PolarHBondContact O-N 2.9Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.93Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 WeakPolarHBondContact CD-OD2 3.47Å; R68-D70 WeakPolarHBondContact CG-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.12Å; R68-D70 PolarHBondContact NE-OD2 2.9Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 PolarHBondContact O-N 2.99Å
69G53.9Low57.9Low48 Ų48134.9 Ų134.950%0.49567%0.665SS.*THydrogen-bonded Turntrans76.59.9171.500000116.1K65 Y66 H67 T71K65-G69 PolarHBondContact O-N 3.22Å; Y66-G69 PolarHBondContact O-N 2.89Å; H67-G69 VanDerWaalsContact C-N 3.32Å; G69-T71 CarbonylContact O-C 3.26Å; G69-T71 WeakPolarHBondContact O-CA 3.19Å; G69-T71 PolarHBondContact O-N 3.36Å
70D48.5Very low55.5Low92 Ų92139.9 Ų139.949%0.49268%0.679SS.*  trans-77.490.6168.9-71.8-50.7000109.5K65 R68K65-D70 WeakPolarHBondContact CE-O 3.31Å; R68-D70 VanDerWaalsContact C-N 3.32Å; R68-D70 WeakPolarHBondContact CD-OD2 3.47Å; R68-D70 WeakPolarHBondContact CG-OD2 3.45Å; R68-D70 IonicContact NE-OD2 3.12Å; R68-D70 PolarHBondContact NE-OD2 2.9Å; R68-D70 VanDerWaalsContact NE-OD2 3.12Å; R68-D70 PolarHBondContact O-N 2.99Å
71T40.9Very low53.4Low115 Ų115143 Ų14371%0.70669%0.694SS**SBendcis-143.9153.314.853.50000112.5G69G69-T71 CarbonylContact O-C 3.26Å; G69-T71 WeakPolarHBondContact O-CA 3.19Å; G69-T71 PolarHBondContact O-N 3.36Å
72M45.9Very low51Low160 Ų160144.5 Ų144.579%0.78870%0.702SS**  17099128.4-89.9-62.8168.500110.8V74M72-V74 PolarHBondContact O-N 3.05Å
73D40.6Very low48.8Very low153 Ų153143 Ų14382%0.81871%0.713SS**  trans-73.6114.7171.5175.214.7000110.8G75D73-G75 PolarHBondContact OD1-N 2.93Å
74V43.5Very low46.8Very low134 Ų134144.9 Ų144.981%0.81273%0.727SS**  trans-129.538.6169.8-161.20000110.1M72 N76M72-V74 PolarHBondContact O-N 3.05Å; V74-N76 PolarHBondContact O-N 3.08Å
75G32.6Very low44.4Very low63 Ų63145.9 Ų145.965%0.64974%0.737SS**  trans-76.329.7-173.900000116.9D73D73-G75 PolarHBondContact OD1-N 2.93Å
76N36.8Very low42.5Very low143 Ų143145.1 Ų145.177%0.76574%0.744SS**  trans-136.476-168.7-132.5-18.2000117.5V74V74-N76 PolarHBondContact O-N 3.08Å
77R32.5Very low40.6Very low225 Ų225140.9 Ų140.985%0.84974%0.741SS**  trans22111.5138.1-57.8171.7179.7168.8-0.4118.2
78R32.7Very low39.4Very low241 Ų241141.1 Ų141.191%0.90975%0.746SS**  trans-179.7136.1130.4-104.4160.3-172.9-152.51.9113.4
79K31.9Very low37.3Very low186 Ų186139.9 Ų139.981%0.80975%0.748SS**  trans62.9119.3165.6-72.1-179.7176.8-178.10114.4
80R32.8Very low36.2Very low205 Ų205141.6 Ų141.677%0.77476%0.757SS**  69103.775.3-164.6-149.7-137.9167.56.8109.3
81D38.1Very low35.6Very low140 Ų140144.2 Ų144.275%0.74977%0.771SS**  -160.4143.4107.6-78.5-22.3000110.4
82D32Very low35.3Very low147 Ų147149.3 Ų149.379%0.78678%0.779SS**  trans-21.9151.4-175.4-54.4-42.1000124
83A32.5Very low35Very low102 Ų102147.7 Ų147.784%0.84378%0.781SS**  trans60.586.5142.600000121
84N36.5Very low35Very low154 Ų154145 Ų14582%0.82478%0.78SS**  -151.9145.6101-164.412000111.7
85S33.3Very low34.5Very low105 Ų105146.8 Ų146.873%0.73478%0.777SS**  trans-111.984.6-177.4173.60000112.2
86T36.4Very low35.1Very low116 Ų116151.1 Ų151.171%0.71278%0.78SS**  trans-134.782.1152.946.60000107.7
87S36.1Very low35Very low90 Ų90151.8 Ų151.863%0.62978%0.783SS**  74.8115.474.775.50000113.1
88I35.3Very low35.5Very low156 Ų156146.1 Ų146.180%0.877%0.77SS**  trans7199162.9-56.3-179.1000113.4
89Q30.2Very low36.6Very low162 Ų162139.7 Ų139.776%0.75776%0.762SS**  64.285.658.5-163.2174.2-4.400110.6
90A31.1Very low37.3Very low85 Ų85135 Ų13570%0.70275%0.751SS**  47.683.773.100000112.8
91D35.4Very low38.4Very low146 Ų146131.7 Ų131.778%0.78175%0.75SS**  -165.3127.9128-120.9-66.9000110.6
92Y35.4Very low39.3Very low222 Ų222134.2 Ų134.287%0.87176%0.756SS**  trans-111.4103.4172.9-87.2-86.9000108.2A94Y92-A94 PolarHBondContact O-N 3Å; Y92-A94 VanDerWaalsContact O-N 3.16Å
93P38.6Very low40.5Very low127 Ų127132 Ų13283%0.82575%0.751SS**  trans-71.6109.6172.628.8-32.4000109.5
94A40.8Very low41.8Very low97 Ų97130 Ų13080%0.80273%0.73SS**  trans-78.8135.9179.600000112.3Y92Y92-A94 PolarHBondContact O-N 3Å; Y92-A94 VanDerWaalsContact O-N 3.16Å
95K34.6Very low43Very low171 Ų171129.6 Ų129.674%0.74373%0.727SS**  trans-163.5144.2152-124.2-172.7171.8-128.90114.9
96E43.3Very low44.3Very low154 Ų154126.9 Ų126.972%0.7271%0.711SS**  trans70.7119.4158-75.6157.6179.400119
97D36.5Very low45.6Very low156 Ų156121.9 Ų121.983%0.83468%0.682SS**  trans-76.3140.4-171.7-49.2-117000114.7
98D42.7Very low47.1Very low106 Ų106121.9 Ų121.957%0.56768%0.68SS**  trans-109.493.7152-168.63.3000108C100D98-C100 PolarHBondContact O-N 2.97Å
99S55.4Low48.6Very low107 Ų107118.8 Ų118.875%0.74867%0.67SS**THydrogen-bonded Turntrans-75.422.8-160.657.30000116.1
100C46.9Very low50.3Low86 Ų86111.8 Ų111.858%0.58164%0.641SS**THydrogen-bonded Turntrans-104.3-15.4-174.5-690000115.5D98 H102 C103D98-C100 PolarHBondContact O-N 2.97Å; C100-H102 VanDerWaalsContact C-N 3.25Å; C100-H102 PolarHBondContact O-N 3.38Å; C100-C103 PolarHBondContact O-N 3.32Å
101D55.2Low52.1Low137 Ų137115 Ų11573%0.73365%0.646SS**G310 helixtrans-61.7-30.4-174.3-81.2-27.2000113.5C103 C104D101-C103 PolarHBondContact O-N 3.32Å; D101-C104 PolarHBondContact O-N 3.32Å
102H56.5Low53.6Low192 Ų192112.2 Ų112.289%0.88964%0.636SS**G310 helixtrans-65.3-8.3-176.9-83.7-63.1000116.2C100C100-H102 VanDerWaalsContact C-N 3.25Å; C100-H102 PolarHBondContact O-N 3.38Å
103C58.5Low55.1Low101 Ų101102 Ų10268%0.68260%0.598SS**G310 helixtrans-114.91.9-178.9-800000115.1C100 D101 I105C100-C103 PolarHBondContact O-N 3.32Å; D101-C103 PolarHBondContact O-N 3.32Å; C103-I105 PolarHBondContact O-N 3Å
104C58.5Low56.6Low60 Ų60100.9 Ų100.941%0.40559%0.589SS.*  trans-85.492.8178.5-74.30000112D101 A106D101-C104 PolarHBondContact O-N 3.32Å; C104-A106 PolarHBondContact O-N 3.22Å; C104-A106 VanDerWaalsContact O-N 3.12Å
105I63Low57.8Low145 Ų145100.3 Ų100.374%0.74458%0.577SS**  trans-70.3106.9165.3-57.4178.9000108.3C103C103-I105 PolarHBondContact O-N 3Å
106A60.5Low59.2Low49 Ų4992.5 Ų92.541%0.40555%0.545SS..PPolyproline II helixtrans-59.2150.7173.300000111C104C104-A106 PolarHBondContact O-N 3.22Å; C104-A106 VanDerWaalsContact O-N 3.12Å
107G62.9Low60.4Low11 Ų1195.6 Ų95.611%0.11355%0.55CS..PPolyproline II helixtrans-61.3165173.900000112.4G155G107-G155 WeakPolarHBondContact O-CA 3.45Å
108P67.4Low61.6Low90 Ų9092 Ų9258%0.58454%0.535SS*.PPolyproline II helixtrans-56.3146.5171.526.9-34.6000110G280P108-G280 WeakPolarHBondContact O-CA 3.29Å
109P66.1Low62.4Low91 Ų9187.2 Ų87.259%0.59151%0.511SS*.PPolyproline II helixtrans-53.8144.7176.6-22.931.6000111.3P156P109-P156 WeakPolarHBondContact CA-O 3.32Å; P109-P156 HydrophobicContact CB-CG 4.2Å; P109-P156 HydrophobicContact CG-CG 4.04Å
110G66.7Low62.9Low14 Ų1490.8 Ų90.814%0.14451%0.513CS..PPolyproline II helixtrans-63.2166.3178.700000113.2P156 G158 Q278G110-P156 PolarHBondContact N-O 3.4Å; G110-P156 VanDerWaalsContact N-O 3.13Å; G110-G158 WeakPolarHBondContact O-CA 3.32Å; G110-Q278 WeakPolarHBondContact CA-O 3.24Å
111L70Confident63.6Low152 Ų15290.5 Ų90.580%0.79651%0.51SS*.PPolyproline II helixtrans-56.9138.3169.1-66.6178.2000109.3G277L111-G277 WeakPolarHBondContact O-CA 3.46Å
112P66Low63.5Low88 Ų8884.3 Ų84.357%0.57148%0.478SS*.PPolyproline II helixtrans-51.4152.7179-28.735.6000113.2L159P112-L159 VanDerWaalsContact CA-O 3.32Å; P112-L159 WeakPolarHBondContact CA-O 3.28Å
113G67.6Low63.9Low8 Ų885.1 Ų85.18%0.08247%0.474CS..PPolyproline II helixtrans-55.5144.7177.700000112L159 G161 P275G113-L159 PolarHBondContact N-O 3.29Å; G113-G161 WeakPolarHBondContact O-CA 3.1Å; G113-P275 WeakPolarHBondContact CA-O 3.44Å
114V69.6Low63.8Low104 Ų10483.4 Ų83.463%0.6346%0.461SS*.PPolyproline II helixtrans-56.5146.5163.5-66.50000109G274 P275V114-G274 WeakPolarHBondContact O-CA 3.35Å; V114-P275 HydrophobicContact CG2-CG 4.16Å
115P65.4Low63.3Low84 Ų8481.7 Ų81.755%0.54545%0.454SS..PPolyproline II helixtrans-50.6151.7177.4-27.734.9000112.4P162P115-P162 WeakPolarHBondContact CA-O 3.11Å; P115-P162 HydrophobicContact CB-CG 4.14Å; P115-P162 HydrophobicContact CG-CG 4.06Å
116G64Low63Low7 Ų781.2 Ų81.27%0.07245%0.452CS..PPolyproline II helixtrans-50146.7172.900000111.8P162 G164 P272G116-P162 PolarHBondContact N-O 2.93Å; G116-G164 WeakPolarHBondContact O-CA 3.36Å; G116-P272 VanDerWaalsContact CA-O 3.3Å; G116-P272 WeakPolarHBondContact CA-O 3.05Å
117R68.6Low62.6Low220 Ų22082.6 Ų82.683%0.8346%0.457SS*.PPolyproline II helixtrans-55.8144.1163.3-67.9-173.3-179.3-169.50.6107.7
118P61.8Low61.4Low79 Ų7985.9 Ų85.951%0.51349%0.491SS..PPolyproline II helixtrans-47.4152.9173.8-27.734.5000111.8P165P118-P165 WeakPolarHBondContact CA-O 3.45Å; P118-P165 HydrophobicContact CB-CG 4.02Å; P118-P165 HydrophobicContact CG-CG 3.94Å
119G58.7Low60.2Low6 Ų688.4 Ų88.46%0.06250%0.498CS..PPolyproline II helixtrans-47.8145.2169.700000110.7P165 G167 P269G119-P165 PolarHBondContact N-O 2.72Å; G119-G167 WeakPolarHBondContact O-CA 3.39Å; G119-P269 WeakPolarHBondContact CA-O 3.41Å
120K66.6Low59.3Low182 Ų18289.5 Ų89.579%0.79151%0.505SS*.PPolyproline II helixtrans-56.7135.9163.4-67.7-175.5179.6-178.10106.7G268K120-G268 WeakPolarHBondContact O-CA 3.49Å
121P61.5Low57.8Low80 Ų8092.7 Ų92.752%0.51954%0.538SS..PPolyproline II helixtrans-49.4152.7176.1-29.936000111.9R123 D168P121-R123 PolarHBondContact O-N 2.89Å; P121-D168 CarbonylContact C-O 3.45Å; P121-D168 WeakPolarHBondContact CA-O 3.27Å; P121-D168 HydrophobicContact CB-CB 4.49Å
122G54.1Low56.6Low7 Ų791.7 Ų91.77%0.07254%0.538CS..PPolyproline II helixtrans-47.8140.917400000110.2P124 D168 G170 L266G122-P124 WeakPolarHBondContact O-CD 3.39Å; G122-D168 PolarHBondContact N-O 3.02Å; G122-G170 WeakPolarHBondContact O-CA 3.4Å; G122-L266 WeakPolarHBondContact CA-O 3.25Å
123R64.5Low55.3Low209 Ų20993.9 Ų93.979%0.78955%0.553SS**PPolyproline II helixtrans-63.9131.4171.8-70.7-169.4-178.1-151.63.5107.9P121 G125P121-R123 PolarHBondContact O-N 2.89Å; R123-G125 PolarHBondContact O-N 3.49Å
124P56.6Low53.6Low65 Ų6597 Ų9742%0.42258%0.584SS.*PPolyproline II helixtrans-49140.5165.2-30.538000111G122 L126 E171G122-P124 WeakPolarHBondContact O-CD 3.39Å; P124-L126 PolarHBondContact O-N 3.32Å; P124-L126 VanDerWaalsContact O-N 3.12Å; P124-E171 VanDerWaalsContact CA-O 3.23Å; P124-E171 WeakPolarHBondContact CA-O 3.5Å; P124-E171 VanDerWaalsContact CB-O 3.23Å; P124-E171 WeakPolarHBondContact CB-O 3.08Å; P124-E171 HydrophobicContact CG-CB 4.25Å
125G48.6Very low52.1Low25 Ų25100.7 Ų100.726%0.25860%0.595SS.*PPolyproline II helixtrans-56.2117.7-179.200000110.8R123 P127 G173R123-G125 PolarHBondContact O-N 3.49Å; G125-P127 VanDerWaalsContact O-CD 3.3Å; G125-P127 WeakPolarHBondContact O-CD 3.47Å; G125-G173 WeakPolarHBondContact O-CA 3.41Å
126L55.6Low51.1Low135 Ų135102.1 Ų102.171%0.70760%0.604SS**PPolyproline II helixtrans-62.6122.4-172.5-73.8173.1000111.8P124P124-L126 PolarHBondContact O-N 3.32Å; P124-L126 VanDerWaalsContact O-N 3.12Å
127P51.8Low49.5Very low78 Ų78105.1 Ų105.151%0.50663%0.628SS.*PPolyproline II helixtrans-63139.3160.3-18.232.9000109.7G125 I129G125-P127 VanDerWaalsContact O-CD 3.3Å; G125-P127 WeakPolarHBondContact O-CD 3.47Å; P127-I129 WeakPolarHBondContact O-CG1 3.31Å; P127-I129 PolarHBondContact O-N 2.91Å
128G37.2Very low47.9Very low80 Ų80103.3 Ų103.383%0.82563%0.629SS**PPolyproline II helixtrans-62.4131.8-178.700000112.9
129I43.9Very low47.3Very low142 Ų142104.9 Ų104.973%0.72864%0.639SS**  trans-107.6119.6-168.4-48.1178.7000111.3P127P127-I129 WeakPolarHBondContact O-CG1 3.31Å; P127-I129 PolarHBondContact O-N 2.91Å
130P46.6Very low46.6Very low115 Ų115109.7 Ų109.775%0.74767%0.669SS**  trans-73.4140.3165.8-16.231.9000112
131G35.4Very low44.8Very low80 Ų80106 Ų10683%0.82567%0.665SS**  trans-82.9163-174.900000116
132T43.5Very low43.8Very low131 Ų131110.6 Ų110.680%0.80468%0.68SS**  trans-134.2140.7-175.153.20000112.8
133P39.8Very low42.9Very low135 Ų135114.5 Ų114.588%0.87771%0.706SS**  trans-66174.1168.3-20.434.2000113.8
134G32.7Very low41.6Very low72 Ų72113.7 Ų113.774%0.74271%0.709SS**  trans-159.6-155.7-172.400000118.3
135E36.8Very low40.8Very low183 Ų183114.8 Ų114.886%0.85572%0.724SS**  trans69.4155-168.2-86.2-148.978.700116.7
136P44.8Very low41.4Very low113 Ų113119.1 Ų119.173%0.73475%0.747SS**  cis-137.8165.323.643-25.4000120.3
137A31.1Very low41.1Very low71 Ų71118.3 Ų118.359%0.58775%0.75SS**  trans52.7119.6139.500000126.5
138Q34.6Very low41Very low181 Ų181120.2 Ų120.285%0.84676%0.762SS**  71.4162.3126.8-71.8-17133.100122.8
139P47.7Very low41.2Very low112 Ų112121.8 Ų121.873%0.72776%0.76SS**  cis-124.9-121-18.627.8-2.1000115.2
140P45.5Very low41.5Very low107 Ų107123.6 Ų123.670%0.69576%0.762SS**  -135.1-163.7-123.544.4-23000118.2
141C29.4Very low41.8Very low105 Ų105123.3 Ų123.371%0.70976%0.76SS**  trans77.4148.8163.3-67.10000118.5
142E40Very low42.3Very low176 Ų176121.6 Ų121.682%0.82274%0.735SS**  cis-154-152.3-15.8-123.4168.7126.900111.9
143S35.6Very low42.7Very low90 Ų90118.9 Ų118.963%0.62972%0.719SS**  trans-138-173.4-155.5590000117.7
144F35.8Very low43.6Very low191 Ų191115 Ų11584%0.83869%0.694SS**  trans93.991.2165.4-74.2-81.6000123.8
145A40.4Very low44.8Very low89 Ų89111.5 Ų111.574%0.73666%0.659SS**  69.4-164.1108.400000122.1
146P61.7Low46.2Very low115 Ų115106 Ų10675%0.74764%0.639SS**  -112.2175.9-128.743.9-26.6000114
147P49Very low47.2Very low119 Ų119104.2 Ų104.277%0.77363%0.627SS**  -154.8-135.365.343.6-18.6000111.7
148P49.2Very low48.7Very low117 Ų117100.9 Ų100.976%0.7660%0.6SS**  cis-125.2-166.5-32.438.6-20.1000113.6
149C42.1Very low50.2Low114 Ų11499.2 Ų99.277%0.7760%0.596SS**  trans-98.9167.9-171-46.30000116.3
150K49.5Very low51Low180 Ų18099.4 Ų99.478%0.78359%0.587SS**  trans71.2127.4166.9-59.3178.8179.3-177.70114.1
151P52.2Low51.7Low109 Ų10994.4 Ų94.471%0.70856%0.555SS**SBend-120-175.155.315.47000114.2
152C46.9Very low53.2Low44 Ų4493 Ų9330%0.29754%0.544SS..  trans-45.4130.7172.7-59.40000111.1C285C152-C285 HydrophobicContact CB-CB 4.31Å; C152-C285 WeakPolarHBondContact CB-SG 3.47Å; C152-C285 WeakPolarHBondContact SG-CB 3.33Å; C152-C285 CovalentContact SG-SG 2.04Å; C152-C285 PolarHBondContact SG-SG 3.42Å
153P53Low54.1Low73 Ų7388.1 Ų88.147%0.47453%0.528SS..  trans-62.9138.1-17223.9-33.1000111.2
154P57.9Low55.3Low53 Ų5384 Ų8434%0.34450%0.499SS..BIsolated β-bridgetrans-42.1150.8151.6-30.939.4000111.6P279 G280P154-P279 HydrophobicContact CB-CB 3.39Å; P154-P279 HydrophobicContact CG-CB 3.99Å; P154-G280 WeakPolarHBondContact CB-O 3.27Å
155G58.7Low56.5Low0 Ų078.4 Ų78.40%048%0.482CS..SBendtrans-49.5147.2165.800000110.9G107 G280 E281G107-G155 WeakPolarHBondContact O-CA 3.45Å; G155-G280 PolarHBondContact O-N 3.21Å; G155-E281 PolarHBondContact N-O 3.14Å; G155-E281 VanDerWaalsContact N-O 3.13Å
156P65.8Low57.5Low68 Ų6877.8 Ų77.844%0.44247%0.471SS..PPolyproline II helixtrans-53.6141-173.522.3-33.3000110.2P109 G110 G158P109-P156 WeakPolarHBondContact CA-O 3.32Å; P109-P156 HydrophobicContact CB-CG 4.2Å; P109-P156 HydrophobicContact CG-CG 4.04Å; G110-P156 PolarHBondContact N-O 3.4Å; G110-P156 VanDerWaalsContact N-O 3.13Å; P156-G158 PolarHBondContact O-N 3.27Å
157P66.2Low57.3Low75 Ų7572.5 Ų72.549%0.48744%0.437SS..PPolyproline II helixtrans-47133.8179.1-30.336.3000111P276P157-P276 HydrophobicContact CB-CB 3.79Å
158G61.7Low57.9Low1 Ų172.2 Ų72.21%0.0143%0.429CS..PPolyproline II helixtrans-52.8149.7179.600000111.2G110 P156 Q160 G277G110-G158 WeakPolarHBondContact O-CA 3.32Å; P156-G158 PolarHBondContact O-N 3.27Å; G158-Q160 PolarHBondContact O-N 3.28Å; G158-G277 PolarHBondContact O-N 3.38Å
159L65.2Low58.5Low146 Ų14670.6 Ų70.676%0.76442%0.418SS*.PPolyproline II helixtrans-48140.2-177.7-69.4179.6000111P112 G113 G161P112-L159 VanDerWaalsContact CA-O 3.32Å; P112-L159 WeakPolarHBondContact CA-O 3.28Å; G113-L159 PolarHBondContact N-O 3.29Å; L159-G161 PolarHBondContact O-N 2.87Å
160Q64.9Low59.1Low116 Ų11665.4 Ų65.454%0.54238%0.384SS..PPolyproline II helixtrans-54.9132.8-173.2-165.9170.527.700110.8G158 P273 G274G158-Q160 PolarHBondContact O-N 3.28Å; Q160-P273 HydrophobicContact CG-CB 3.85Å; Q160-G274 WeakPolarHBondContact CG-O 3.45Å; Q160-G274 PolarHBondContact NE2-O 2.99Å
161G59.7Low59.6Low1 Ų164.5 Ų64.51%0.0138%0.383CS..PPolyproline II helixtrans-56.8145.1179.400000110.9G113 L159 G274 P275G113-G161 WeakPolarHBondContact O-CA 3.1Å; L159-G161 PolarHBondContact O-N 2.87Å; G161-G274 PolarHBondContact O-N 3.4Å; G161-P275 PolarHBondContact N-O 3Å
162P61.4Low60Low76 Ų7662 Ų6249%0.49437%0.371SS..PPolyproline II helixtrans-57.2153.5-178.124.8-34.3000111P115 G116 G164P115-P162 WeakPolarHBondContact CA-O 3.11Å; P115-P162 HydrophobicContact CB-CG 4.14Å; P115-P162 HydrophobicContact CG-CG 4.06Å; G116-P162 PolarHBondContact N-O 2.93Å; P162-G164 PolarHBondContact O-N 3.19Å
163P59.6Low60.4Low74 Ų7460.1 Ų60.148%0.48136%0.359SS..PPolyproline II helixtrans-47.9139.4174.3-26.233.7000112.1I270 P273P163-I270 HydrophobicContact CB-CG2 3.48Å; P163-I270 VanDerWaalsContact CB-CG2 3.48Å; P163-P273 HydrophobicContact CG-CG 4.38Å
164G60.4Low60.7Low2 Ų263.2 Ų63.22%0.02137%0.372CS..PPolyproline II helixtrans-62.8155.1173.600000110.7G116 P162 I270 G271G116-G164 WeakPolarHBondContact O-CA 3.36Å; P162-G164 PolarHBondContact O-N 3.19Å; G164-I270 WeakPolarHBondContact O-CG2 3.27Å; G164-G271 PolarHBondContact N-O 3.32Å; G164-G271 PolarHBondContact O-N 3.37Å
165P62.2Low60.6Low75 Ų7563.4 Ų63.449%0.48737%0.373SS..PPolyproline II helixtrans-56.4158.7175.125.8-34.3000111.1P118 G119 G271P118-P165 WeakPolarHBondContact CA-O 3.45Å; P118-P165 HydrophobicContact CB-CG 4.02Å; P118-P165 HydrophobicContact CG-CG 3.94Å; G119-P165 PolarHBondContact N-O 2.72Å; P165-G271 PolarHBondContact O-N 3.36Å
166P61.2Low60.1Low76 Ų7664.8 Ų64.849%0.49439%0.387SS..PPolyproline II helixtrans-47.6146.7168.9-25.533.9000111.6I270P166-I270 HydrophobicContact CG-CG1 4.13Å
167G55.7Low59.4Low3 Ų373.1 Ų73.13%0.03141%0.41CS..BIsolated β-bridgetrans-71152.4171.700000110.7G119 G268G119-G167 WeakPolarHBondContact O-CA 3.39Å; G167-G268 PolarHBondContact N-O 3.13Å; G167-G268 PolarHBondContact O-N 2.91Å
168D62.3Low58.6Low114 Ų11473.3 Ų73.361%0.6141%0.411SS*.PPolyproline II helixtrans-55.6154.2175.3-58.6-69.3000111.7P121 G122P121-D168 CarbonylContact C-O 3.45Å; P121-D168 WeakPolarHBondContact CA-O 3.27Å; P121-D168 HydrophobicContact CB-CB 4.49Å; G122-D168 PolarHBondContact N-O 3.02Å
169P62Low57.8Low83 Ų8374.6 Ų74.654%0.53942%0.424SS..PPolyproline II helixtrans-53.1146.9171.5-26.336000112.4G265P169-G265 WeakPolarHBondContact CA-O 3.27Å; P169-G265 WeakPolarHBondContact CB-O 3.48Å
170G55.5Low56.5Low5 Ų574.2 Ų74.25%0.05242%0.416CS..BIsolated β-bridgetrans-75.7140.7177.300000112.1G122 G265G122-G170 WeakPolarHBondContact O-CA 3.4Å; G170-G265 PolarHBondContact N-O 2.96Å; G170-G265 PolarHBondContact O-N 2.96Å
171E60Low55.2Low161 Ų16174.5 Ų74.575%0.75242%0.422SS*.PPolyproline II helixtrans-52.3144.3174.9-62.3-175.8145.800111.8P124P124-E171 VanDerWaalsContact CA-O 3.23Å; P124-E171 WeakPolarHBondContact CA-O 3.5Å; P124-E171 VanDerWaalsContact CB-O 3.23Å; P124-E171 WeakPolarHBondContact CB-O 3.08Å; P124-E171 HydrophobicContact CG-CB 4.25Å
172A60.2Low54.2Low55 Ų5577.4 Ų77.446%0.45545%0.446SS..PPolyproline II helixtrans-60.6139.2-177.800000112.1N174A172-N174 PolarHBondContact O-N 2.87Å
173G55.7Low53.4Low5 Ų578.4 Ų78.45%0.05246%0.461CS..PPolyproline II helixtrans-67.1126.3-176.800000112.4G125 G262G125-G173 WeakPolarHBondContact O-CA 3.41Å; G173-G262 PolarHBondContact O-N 3.1Å
174N58.9Low52.5Low139 Ų13982.7 Ų82.774%0.74348%0.476SS*.PPolyproline II helixtrans-51.6130.6179.5-85-58.5000112.3A172A172-N174 PolarHBondContact O-N 2.87Å
175P54.7Low51.8Low56 Ų5685.2 Ų85.236%0.36450%0.502SS..PPolyproline II helixtrans-57.8144.2-178.7-27.936.1000114.4Q258 P261P175-Q258 VanDerWaalsContact CB-CD 3.46Å; P175-Q258 HydrophobicContact CB-CG 3.63Å; P175-P261 HydrophobicContact CG-CG 4.33Å
176G49.5Very low51Low30 Ų3087.5 Ų87.531%0.30952%0.517SS..PPolyproline II helixtrans-63.1150.7-176.400000113.7Q258 G259G176-Q258 WeakPolarHBondContact O-CA 3.43Å; G176-Q258 WeakPolarHBondContact O-CB 3.45Å; G176-Q258 VanDerWaalsContact O-CG 3.27Å; G176-Q258 WeakPolarHBondContact O-CG 3.38Å; G176-Q258 PolarHBondContact O-NE2 3.29Å; G176-Q258 VanDerWaalsContact O-NE2 3.11Å; G176-G259 PolarHBondContact N-O 3.45Å
177R50.2Low50.3Low242 Ų24289.9 Ų89.991%0.91353%0.533SS*.PPolyproline II helixtrans-67.5136.7172.5-101-174.6174.4178.9-0.8110.7
178P49.1Very low50Low80 Ų8092.9 Ų92.952%0.51956%0.563SS.*PPolyproline II helixtrans-61.2144.1169.9-20.231.7000111.7Q258P178-Q258 HydrophobicContact CG-CB 4.48Å
179G46.5Very low49.3Very low27 Ų2793.9 Ų93.928%0.27858%0.576SS.*  trans-70.6174.1156.200000111.8K255 G256G179-K255 VanDerWaalsContact CA-O 3.23Å; G179-K255 WeakPolarHBondContact CA-O 3.39Å; G179-K255 PolarHBondContact N-O 3.42Å; G179-G256 WeakPolarHBondContact O-CA 3.29Å; G179-G256 PolarHBondContact O-N 3.12Å
180K37Very low49Very low138 Ų13899.1 Ų99.160%0.659%0.593SS**  trans-79.2-158.4175.8-58.7-177.4179.9-173.80112.4Q254 K255 G256K180-Q254 VanDerWaalsContact C-N 3.29Å; K180-Q254 HydrophobicContact CB-CB 4.26Å; K180-Q254 HydrophobicContact CB-CG 4.1Å; K180-Q254 VanDerWaalsContact N-OE1 3.11Å; K180-Q254 CarbonylContact O-C 3.53Å; K180-Q254 PolarHBondContact O-N 3.33Å; K180-K255 CarbonylContact O-C 3.12Å; K180-K255 WeakPolarHBondContact O-CA 3.36Å; K180-K255 PolarHBondContact O-N 3.17Å; K180-K255 VanDerWaalsContact O-N 3.1Å; K180-G256 PolarHBondContact O-N 2.88Å
181D38.1Very low49Very low122 Ų122101.6 Ų101.665%0.65262%0.619SS**  trans-72.8-135.9-155.9-42.3-89.3000115.1G253 Q254D181-G253 VanDerWaalsContact C-C 3.43Å; D181-G253 CarbonylContact O-C 3.49Å; D181-G253 VanDerWaalsContact O-C 3.26Å; D181-Q254 CarbonylContact O-C 3.31Å; D181-Q254 VanDerWaalsContact O-C 3.31Å; D181-Q254 PolarHBondContact O-N 3.25Å
182A39.2Very low48.7Very low63 Ų6399.8 Ų99.852%0.52162%0.621SS.*  cis-154.9-172.5-5.300000108.6L251A182-L251 WeakPolarHBondContact CB-O 3.32Å
183A43.6Very low48.8Very low97 Ų97103.3 Ų103.380%0.80264%0.639SS**  trans-143.8157.2161.400000111
184M40.4Very low48.9Very low164 Ų164106.3 Ų106.381%0.80867%0.67SS**PPolyproline II helixtrans-83.3141.8-177.3-172.8168.568.700111.9
185G45.4Very low48.8Very low55 Ų55105.5 Ų105.557%0.56767%0.673SS**PPolyproline II helixtrans-76155.6-179.300000114.1
186P45.5Very low49.1Very low122 Ų122109 Ų10979%0.79270%0.695SS**PPolyproline II helixtrans-74.7157176.632.2-35.6000112.5
187P46.8Very low49.4Very low127 Ų127111.1 Ų111.183%0.82572%0.717SS**PPolyproline II helixtrans-60.5154.1172.8-23.334.7000113.7
188G49.4Very low49.7Very low66 Ų66104.1 Ų104.168%0.6871%0.712SS**PPolyproline II helixtrans-75159.3176.200000113.8
189P48.1Very low50.5Low134 Ų134106.4 Ų106.487%0.8773%0.726SS**PPolyproline II helixtrans-74.6155.6177.832.1-35.7000112.7
190Q56.1Low51.1Low193 Ų193108.2 Ų108.290%0.90275%0.745SS**PPolyproline II helixtrans-67143.8174.8-169.9177.51500111.8
191G55.6Low52.1Low58 Ų58108.1 Ų108.160%0.59876%0.758SS**PPolyproline II helixtrans-70.8156.2175.500000113.8
192P53.6Low53.5Low122 Ų122110.2 Ų110.279%0.79277%0.769SS**PPolyproline II helixtrans-74.8157.6-179.831.9-36000112.9
193P61.8Low54.6Low129 Ų129110.8 Ų110.884%0.83878%0.781SS**PPolyproline II helixtrans-61.2151.6172.4-22.634.2000113.7
194G56.8Low55.1Low68 Ų68110.8 Ų110.870%0.70178%0.782SS**PPolyproline II helixtrans-72.2161174.600000113.9
195P56.4Low56.4Low122 Ų122109.1 Ų109.179%0.79278%0.783SS**PPolyproline II helixtrans-73.9155.9-179.831.6-35.9000112.8
196P62.6Low57.3Low129 Ų129110 Ų11084%0.83879%0.792SS**PPolyproline II helixtrans-60.5150.1170.6-22.434000113.2
197G56Low57.6Low75 Ų75112 Ų11277%0.77380%0.796SS**PPolyproline II helixtrans-68.6156.1172.400000113.1
198A55.7Low58.2Low96 Ų96111.7 Ų111.779%0.79379%0.794SS**PPolyproline II helixtrans-72.6150178.100000112.3
199P65.6Low58.6Low128 Ų128112.1 Ų112.183%0.83180%0.799SS**PPolyproline II helixtrans-58.4149.9168.4-2334.2000112.7
200G58.9Low58.9Low65 Ų65113.8 Ų113.867%0.6780%0.799SS**PPolyproline II helixtrans-74162.5169.100000112.5
201P59.2Low58.5Low135 Ų135110.9 Ų110.988%0.87780%0.796SS**PPolyproline II helixtrans-73.2152.8176.931.8-35.6000112.4
202D67Low58.1Low166 Ų166113.1 Ų113.189%0.88881%0.809SS**PPolyproline II helixtrans-65.7151.9175-62.1-53.2000112.7
203G62.8Low57.7Low75 Ų75116 Ų11677%0.77381%0.812SS**PPolyproline II helixtrans-73.2149.8175.400000113.2
204A53.9Low57.1Low98 Ų98115.1 Ų115.181%0.8181%0.809SS**PPolyproline II helixtrans-71.9141.5176.600000111.9
205P66.8Low56.5Low128 Ų128120.5 Ų120.583%0.83182%0.816SS**PPolyproline II helixtrans-62.2150172.8-22.433.9000113.2
206G64.6Low56.1Low74 Ų74120.8 Ų120.876%0.76382%0.818SS**PPolyproline II helixtrans-82.9151.1171.600000113.3
207D51.4Low55Low163 Ų163123 Ų12387%0.87282%0.819SS**PPolyproline II helixtrans-73.7144.5-176.8-73.6-56.4000113.8
208P60.5Low54.5Low121 Ų121126.8 Ų126.879%0.78682%0.82SS**PPolyproline II helixtrans-69.7142.7-179.8-20.633.5000115.2
209G58.2Low54.1Low75 Ų75128.2 Ų128.277%0.77382%0.821SS**PPolyproline II helixtrans-69.8141.817000000113.5
210I53Low53.6Low170 Ų170125.7 Ų125.787%0.87282%0.818SS**PPolyproline II helixtrans-85.2134.9-175.629.1172.2000113.3
211P47.7Very low53.2Low131 Ų131131.6 Ų131.685%0.85183%0.828SS**PPolyproline II helixtrans-82.1141.7179.3-7.925.5000113.3
212A47.2Very low53Low105 Ų105131 Ų13187%0.86883%0.825SS**  trans-120.2145.3168.300000110.8
213Q46.4Very low52.4Low184 Ų184126.7 Ų126.786%0.8682%0.819SS**  trans-103.5143.2-164.2-65.5174.4-40.300114.2
214S48.4Very low51.9Low109 Ų109131.9 Ų131.976%0.76282%0.823SS**  trans50.180.3145.463.20000119.3
215Q43.2Very low52.2Low181 Ų181133.2 Ų133.285%0.84682%0.824SS**SBendtrans-157.9156.8130.2-81.4-134.6-5.800108.6M217Q215-M217 PolarHBondContact O-N 3.35Å
216P48.2Very low51.6Low129 Ų129130.6 Ų130.684%0.83882%0.82SS**SBendtrans-78.789-164.830.6-36000114.2
217M40.3Very low51.2Low174 Ų174134.5 Ų134.586%0.85782%0.823SS**  trans-136.2132.1154.9-78.3-171.3-7800110.5Q215Q215-M217 PolarHBondContact O-N 3.35Å
218I45.3Very low51.7Low156 Ų156132.5 Ų132.580%0.882%0.819SS**  trans22.3115.3158.7-49.6173.3000117.1G220I218-G220 PolarHBondContact O-N 2.91Å
219P48.2Very low51.6Low125 Ų125129.9 Ų129.981%0.81281%0.814SS**PPolyproline II helixtrans-59.3129.5166.4-20.432.8000111.6
220G54.3Low51.3Low75 Ų75132.3 Ų132.377%0.77382%0.817SS**PPolyproline II helixtrans-73.5148.4172.200000112.1I218I218-G220 PolarHBondContact O-N 2.91Å
221E49.9Very low51.6Low190 Ų190133.4 Ų133.489%0.88882%0.818SS**PPolyproline II helixtrans-71.9148.5179.6-65.4-178.199.500111.9
222P55.6Low51.9Low123 Ų123129.8 Ų129.880%0.79980%0.804SS**PPolyproline II helixtrans-61.1137.6173.6-2133.3000111.5
223G55.5Low52.2Low75 Ų75130.5 Ų130.577%0.77380%0.8SS**PPolyproline II helixtrans-63.6136.5173.200000111.6
224E51.1Low52.8Low184 Ų184127.7 Ų127.786%0.8680%0.798SS**PPolyproline II helixtrans-66.1146.1-179-63.9-172.5102.500111.8G226E224-G226 PolarHBondContact O-N 2.78Å
225P59.8Low53.1Low125 Ų125125.4 Ų125.481%0.81279%0.791SS**PPolyproline II helixtrans-59.6134.8172.1-21.433.3000111.1
226G55.7Low53.5Low74 Ų74122.5 Ų122.576%0.76379%0.788SS**PPolyproline II helixtrans-61.9137.717600000112.1E224E224-G226 PolarHBondContact O-N 2.78Å
227D55.6Low54.2Low155 Ų155122.4 Ų122.483%0.82979%0.788SS**PPolyproline II helixtrans-54.3141.3-178.2-77-57.9000112.7G229D227-G229 PolarHBondContact O-N 3.5Å
228P61.8Low55Low121 Ų121117.5 Ų117.579%0.78678%0.782SS**PPolyproline II helixtrans-54.4129.5168.3-24.434.3000111
229G57.2Low55.4Low66 Ų66117.3 Ų117.368%0.6878%0.783SS**PPolyproline II helixtrans-53.8141.2177.700000111.6D227 Q231D227-G229 PolarHBondContact O-N 3.5Å; G229-Q231 PolarHBondContact O-N 3.44Å
230P52.5Low56Low127 Ų127117.1 Ų117.183%0.82578%0.781SS**PPolyproline II helixtrans-58.9140.2-173.224.5-34.6000110.9G232P230-G232 PolarHBondContact O-N 3.17Å; P230-G232 VanDerWaalsContact O-N 3.1Å
231Q60.3Low56.1Low193 Ų193117 Ų11790%0.90278%0.779SS**PPolyproline II helixtrans-52.3120.8176-175.4178.315.200109.5G229G229-Q231 PolarHBondContact O-N 3.44Å
232G53.5Low56.2Low54 Ų54116.6 Ų116.656%0.55778%0.78SS**PPolyproline II helixtrans-53.7139.5178.200000110.6P230P230-G232 PolarHBondContact O-N 3.17Å; P230-G232 VanDerWaalsContact O-N 3.1Å
233P52.8Low56.2Low120 Ų120118.5 Ų118.578%0.77978%0.783SS**PPolyproline II helixtrans-57.8142.7-176.224.8-34.3000110.1G235P233-G235 PolarHBondContact O-N 2.88Å
234P60.2Low56.2Low125 Ų125118.1 Ų118.181%0.81278%0.78SS**PPolyproline II helixtrans-50.9130.1172.3-26.334.8000110.1
235G54.8Low56.1Low61 Ų61118.2 Ų118.263%0.62978%0.78SS**PPolyproline II helixtrans-55.4146.217400000110.2P233P233-G235 PolarHBondContact O-N 2.88Å
236P51.7Low55.7Low120 Ų120118.3 Ų118.378%0.77978%0.781SS**PPolyproline II helixtrans-56.2146.917725.9-34.5000109.8G238P236-G238 PolarHBondContact O-N 2.88Å
237P62.5Low55.1Low127 Ų127117.7 Ų117.783%0.82577%0.774SS**PPolyproline II helixtrans-51.1130.1167.1-23.333.6000108.9
238G56.6Low54.3Low72 Ų72116 Ų11674%0.74277%0.772SS**PPolyproline II helixtrans-58141.3173.300000109.8P236P236-G238 PolarHBondContact O-N 2.88Å
239D53.1Low53.6Low152 Ų152116 Ų11681%0.81377%0.772SS**PPolyproline II helixtrans-51.6143.4179.1-67-65000110.8G241D239-G241 PolarHBondContact O-N 3.35Å; D239-G241 VanDerWaalsContact O-N 3.08Å
240P60.6Low52.8Low121 Ų121114.8 Ų114.879%0.78676%0.759SS**PPolyproline II helixtrans-51.5121.6168.4-24.234000109.3M242P240-M242 PolarHBondContact O-N 3.47Å
241G57.5Low52.1Low71 Ų71116.4 Ų116.473%0.73276%0.76SS**PPolyproline II helixtrans-54.2131.5174.100000109D239 D243D239-G241 PolarHBondContact O-N 3.35Å; D239-G241 VanDerWaalsContact O-N 3.08Å; G241-D243 PolarHBondContact O-N 3.39Å
242M51Low51.3Low183 Ų183116.2 Ų116.290%0.90176%0.756SS**PPolyproline II helixtrans-49.8136-177.6-67.1178.465.700110.5P240 G244P240-M242 PolarHBondContact O-N 3.47Å; M242-G244 PolarHBondContact O-N 2.96Å; M242-G244 VanDerWaalsContact O-N 3.11Å
243D57Low50.7Low162 Ų162114.2 Ų114.287%0.86674%0.736SS**PPolyproline II helixtrans-50.8122.1168.5-73.3-48.8000108.5G241 E245G241-D243 PolarHBondContact O-N 3.39Å; D243-E245 PolarHBondContact O-N 3.34Å
244G53.9Low49.9Very low68 Ų68114 Ų11470%0.70172%0.724SS**PPolyproline II helixtrans-58.5132.5175.900000109.2M242M242-G244 PolarHBondContact O-N 2.96Å; M242-G244 VanDerWaalsContact O-N 3.11Å
245E48.9Very low49.5Very low186 Ų186115.1 Ų115.187%0.86972%0.716SS**PPolyproline II helixtrans-48.8135-177.6-72.2-168.9101.900110.8D243 G247D243-E245 PolarHBondContact O-N 3.34Å; E245-G247 PolarHBondContact O-N 2.99Å
246P52.3Low49.3Very low126 Ų126114.4 Ų114.482%0.81871%0.709SS**PPolyproline II helixtrans-52.1116.9176.4-27.735.1000110.2
247G43.7Very low48.8Very low61 Ų61114.3 Ų114.363%0.62970%0.701SS**PPolyproline II helixtrans-50.7134.3-18000000110E245E245-G247 PolarHBondContact O-N 2.99Å
248P37.8Very low48.1Very low119 Ų119113.6 Ų113.677%0.77369%0.686SS**PPolyproline II helixtrans-56.3142.5-168.822-33.9000110.5G250P248-G250 PolarHBondContact O-N 3.26Å
249P48.2Very low47.9Very low122 Ų122111.5 Ų111.579%0.79267%0.665SS**PPolyproline II helixtrans-48.3116.7-173.3-30.735.3000112L251P249-L251 PolarHBondContact O-N 3.08Å; P249-L251 VanDerWaalsContact O-N 3.11Å
250G40.6Very low47.7Very low40 Ų40109.7 Ų109.741%0.41266%0.661SS.*PPolyproline II helixtrans-51.8121.6-179.600000109.6P248 K252P248-G250 PolarHBondContact O-N 3.26Å; G250-K252 PolarHBondContact O-N 3.49Å
251L36.1Very low47.4Very low161 Ų161108.1 Ų108.184%0.84365%0.651SS**PPolyproline II helixtrans-49.9125.8-167.1-75.8174.9000111A182 P249 G253A182-L251 WeakPolarHBondContact CB-O 3.32Å; P249-L251 PolarHBondContact O-N 3.08Å; P249-L251 VanDerWaalsContact O-N 3.11Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.92Å
252K44.8Very low47.3Very low190 Ų190105.9 Ų105.983%0.82663%0.628SS**  trans-66.788.7172.7-176-179.7176.7-178.70109.9G250G250-K252 PolarHBondContact O-N 3.49Å
253G40.8Very low47.4Very low12 Ų12102.5 Ų102.512%0.12462%0.62CS.*  trans-60.4158.8146.200000110.5D181 L251D181-G253 VanDerWaalsContact C-C 3.43Å; D181-G253 CarbonylContact O-C 3.49Å; D181-G253 VanDerWaalsContact O-C 3.26Å; L251-G253 VanDerWaalsContact C-N 3.26Å; L251-G253 PolarHBondContact O-N 2.92Å
254Q35.8Very low47.5Very low116 Ų116100.9 Ų100.954%0.54261%0.611SS.*  trans-98.8-102.6-161.9-58.7161.1-10.400109.3K180 D181K180-Q254 VanDerWaalsContact C-N 3.29Å; K180-Q254 HydrophobicContact CB-CB 4.26Å; K180-Q254 HydrophobicContact CB-CG 4.1Å; K180-Q254 VanDerWaalsContact N-OE1 3.11Å; K180-Q254 CarbonylContact O-C 3.53Å; K180-Q254 PolarHBondContact O-N 3.33Å; D181-Q254 CarbonylContact O-C 3.31Å; D181-Q254 VanDerWaalsContact O-C 3.31Å; D181-Q254 PolarHBondContact O-N 3.25Å
255K51.5Low47.6Very low148 Ų14897.9 Ų97.964%0.64358%0.581SS**  trans-162.6133.5140.1-170.6169.8174.5177.10110.1G179 K180 I257G179-K255 VanDerWaalsContact CA-O 3.23Å; G179-K255 WeakPolarHBondContact CA-O 3.39Å; G179-K255 PolarHBondContact N-O 3.42Å; K180-K255 CarbonylContact O-C 3.12Å; K180-K255 WeakPolarHBondContact O-CA 3.36Å; K180-K255 PolarHBondContact O-N 3.17Å; K180-K255 VanDerWaalsContact O-N 3.1Å; K255-I257 HydrophobicContact CD-CD1 4.04Å; K255-I257 HydrophobicContact CD-CG1 4.09Å; K255-I257 HydrophobicContact CG-CD1 4.48Å; K255-I257 HydrophobicContact CG-CG1 4.03Å; K255-I257 PolarHBondContact O-N 2.92Å
256G49.9Very low48.2Very low46 Ų4696.2 Ų96.247%0.47458%0.577SS.*  trans-70.589.417000000112.5G179 K180G179-G256 WeakPolarHBondContact O-CA 3.29Å; G179-G256 PolarHBondContact O-N 3.12Å; K180-G256 PolarHBondContact O-N 2.88Å
257I42.9Very low48.6Very low117 Ų11794.3 Ų94.360%0.656%0.564SS**  trans-125.9109.1162.4-48.3-176.4000108K255 G259K255-I257 HydrophobicContact CD-CD1 4.04Å; K255-I257 HydrophobicContact CD-CG1 4.09Å; K255-I257 HydrophobicContact CG-CD1 4.48Å; K255-I257 HydrophobicContact CG-CG1 4.03Å; K255-I257 PolarHBondContact O-N 2.92Å; I257-G259 PolarHBondContact O-N 3.42Å
258Q47.8Very low49.3Very low112 Ų11291.6 Ų91.652%0.52354%0.536SS..PPolyproline II helixtrans-66.3125.2165.8165.2153.888.600108.4P175 G176 P178P175-Q258 VanDerWaalsContact CB-CD 3.46Å; P175-Q258 HydrophobicContact CB-CG 3.63Å; G176-Q258 WeakPolarHBondContact O-CA 3.43Å; G176-Q258 WeakPolarHBondContact O-CB 3.45Å; G176-Q258 VanDerWaalsContact O-CG 3.27Å; G176-Q258 WeakPolarHBondContact O-CG 3.38Å; G176-Q258 PolarHBondContact O-NE2 3.29Å; G176-Q258 VanDerWaalsContact O-NE2 3.11Å; P178-Q258 HydrophobicContact CG-CB 4.48Å
259G51.5Low50.4Low29 Ų2990.8 Ų90.830%0.29953%0.531SS..PPolyproline II helixtrans-60.2145.217300000110.4G176 I257G176-G259 PolarHBondContact N-O 3.45Å; I257-G259 PolarHBondContact O-N 3.42Å
260P49.3Very low51.3Low113 Ų11390.5 Ų90.573%0.73452%0.521SS*.PPolyproline II helixtrans-57156.4176.727.3-35.5000110.5G262P260-G262 PolarHBondContact O-N 2.97Å
261P54.8Low52.3Low89 Ų8988.7 Ų88.758%0.57850%0.503SS*.PPolyproline II helixtrans-49.1137.5167-23.332.9000110P175P175-P261 HydrophobicContact CG-CG 4.33Å
262G54.2Low53.6Low23 Ų2385.4 Ų85.424%0.23749%0.491CS..PPolyproline II helixtrans-60.5145.6172.600000109.8G173 P260G173-G262 PolarHBondContact O-N 3.1Å; P260-G262 PolarHBondContact O-N 2.97Å
263P54.1Low54.4Low113 Ų11379.3 Ų79.373%0.73447%0.471SS*.PPolyproline II helixtrans-56.415017327.2-35.2000110G265P263-G265 PolarHBondContact O-N 3.32Å
264D59.6Low55.4Low127 Ų12778.8 Ų78.868%0.67947%0.466SS*.PPolyproline II helixtrans-50.1136.1178.8-61.7-43.8000110.6L266D264-L266 PolarHBondContact O-N 2.76Å
265G55.7Low56.7Low6 Ų677 Ų776%0.06246%0.464CS..BIsolated β-bridgetrans-62.8123.4-177.400000109.8P169 G170 P263P169-G265 WeakPolarHBondContact CA-O 3.27Å; P169-G265 WeakPolarHBondContact CB-O 3.48Å; G170-G265 PolarHBondContact N-O 2.96Å; G170-G265 PolarHBondContact O-N 2.96Å; P263-G265 PolarHBondContact O-N 3.32Å
266L60.2Low57.2Low151 Ų15173.7 Ų73.779%0.79146%0.458SS*.PPolyproline II helixtrans-46.1142.7176.1-68.6176.5000110.5G122 D264 G268G122-L266 WeakPolarHBondContact CA-O 3.25Å; D264-L266 PolarHBondContact O-N 2.76Å; L266-G268 PolarHBondContact O-N 2.88Å
267P61.5Low57.7Low86 Ų8671.7 Ų71.756%0.55844%0.437SS*.PPolyproline II helixtrans-46135.7178.6-29.735.2000111.9
268G58.9Low58.8Low3 Ų374.2 Ų74.23%0.03145%0.446CS..BIsolated β-bridgetrans-55.8142.8-179.900000110.8K120 G167 L266K120-G268 WeakPolarHBondContact O-CA 3.49Å; G167-G268 PolarHBondContact N-O 3.13Å; G167-G268 PolarHBondContact O-N 2.91Å; L266-G268 PolarHBondContact O-N 2.88Å
269P60.9Low59.3Low102 Ų10272.6 Ų72.666%0.66245%0.446SS*.PPolyproline II helixtrans-54.6146.2179.925.7-35000110.2G119 G271G119-P269 WeakPolarHBondContact CA-O 3.41Å; P269-G271 PolarHBondContact O-N 2.9Å
270I66.8Low59.6Low116 Ų11671.7 Ų71.760%0.59544%0.436SS*.  trans-43.3129.1174.6-69.8174.8000109.1P163 G164 P166P163-I270 HydrophobicContact CB-CG2 3.48Å; P163-I270 VanDerWaalsContact CB-CG2 3.48Å; G164-I270 WeakPolarHBondContact O-CG2 3.27Å; P166-I270 HydrophobicContact CG-CG1 4.13Å
271G61.7Low60.2Low2 Ų273.9 Ų73.92%0.02144%0.437CS..  trans-56.1144.8-177.900000110.7G164 P165 P269G164-G271 PolarHBondContact N-O 3.32Å; G164-G271 PolarHBondContact O-N 3.37Å; P165-G271 PolarHBondContact O-N 3.36Å; P269-G271 PolarHBondContact O-N 2.9Å
272P63.9Low60.3Low92 Ų9277.1 Ų77.160%0.59744%0.442SS*.  trans-53.2149.1177.225.7-34.6000109.6G116G116-P272 VanDerWaalsContact CA-O 3.3Å; G116-P272 WeakPolarHBondContact CA-O 3.05Å
273P60.7Low60.2Low63 Ų6376.6 Ų76.641%0.40944%0.436SS..  trans-43.5149.5167.9-29.936.6000111.8Q160 P163Q160-P273 HydrophobicContact CG-CB 3.85Å; P163-P273 HydrophobicContact CG-CG 4.38Å
274G62.2Low60.2Low1 Ų176.2 Ų76.21%0.0143%0.427CS..PPolyproline II helixtrans-53.5165.8178.400000112.4V114 Q160 G161V114-G274 WeakPolarHBondContact O-CA 3.35Å; Q160-G274 WeakPolarHBondContact CG-O 3.45Å; Q160-G274 PolarHBondContact NE2-O 2.99Å; G161-G274 PolarHBondContact O-N 3.4Å
275P63Low59.8Low79 Ų7973 Ų7351%0.51341%0.413SS..PPolyproline II helixtrans-52.9151.7156.729.1-34.5000108.5G113 V114 G161G113-P275 WeakPolarHBondContact CA-O 3.44Å; V114-P275 HydrophobicContact CG2-CG 4.16Å; G161-P275 PolarHBondContact N-O 3Å
276P61.4Low59.4Low77 Ų7774.5 Ų74.550%0.542%0.422SS..PPolyproline II helixtrans-48.6154.8162.4-26.335.8000110.9P157P157-P276 HydrophobicContact CB-CB 3.79Å
277G60.2Low58.8Low5 Ų575.5 Ų75.55%0.05242%0.42CS..PPolyproline II helixtrans-51.6155.817000000111.3L111 G158L111-G277 WeakPolarHBondContact O-CA 3.46Å; G158-G277 PolarHBondContact O-N 3.38Å
278Q66.6Low57.8Low169 Ų16979.2 Ų79.279%0.7942%0.424SS*.PPolyproline II helixtrans-53.2143.9167.3-72.5-17068.500108.5G110 G280G110-Q278 WeakPolarHBondContact CA-O 3.24Å; Q278-G280 PolarHBondContact O-N 3.01Å
279P58.4Low57Low79 Ų7983.8 Ų83.851%0.51346%0.455SS..PPolyproline II helixtrans-52.9142.8174.7-23.433.4000110.3P154P154-P279 HydrophobicContact CB-CB 3.39Å; P154-P279 HydrophobicContact CG-CB 3.99Å
280G57.3Low56.2Low9 Ų980.7 Ų80.79%0.09344%0.437CS..PPolyproline II helixtrans-60.8169.9179.100000112.2P108 P154 G155 Q278P108-G280 WeakPolarHBondContact O-CA 3.29Å; P154-G280 WeakPolarHBondContact CB-O 3.27Å; G155-G280 PolarHBondContact O-N 3.21Å; Q278-G280 PolarHBondContact O-N 3.01Å
281E61.8Low55.5Low160 Ų16083.9 Ų83.975%0.74846%0.455SS*.SBendtrans-56.8150.4174.8-64.1-167.4144.400110.7G155 G283G155-E281 PolarHBondContact N-O 3.14Å; G155-E281 VanDerWaalsContact N-O 3.13Å; E281-G283 PolarHBondContact O-N 2.93Å
282K57.4Low55.1Low157 Ų15791.3 Ų91.368%0.68349%0.494SS*.BIsolated β-bridgetrans-62.2132.3-176.1-69.8-179.1179177.60110.2
283G52.5Low54.5Low12 Ų1290.2 Ų90.212%0.12450%0.499CS..PPolyproline II helixtrans-55.1143174.200000111.9E281 C285E281-G283 PolarHBondContact O-N 2.93Å; G283-C285 PolarHBondContact O-N 3.24Å; G283-C285 VanDerWaalsContact O-N 3.1Å
284I52.4Low53.6Low104 Ų10487.8 Ų87.853%0.53349%0.486SS..  trans-79.196.7-177.8-60.8151000108.5P286 V295 F297I284-P286 VanDerWaalsContact O-CD 3.3Å; I284-P286 WeakPolarHBondContact O-CD 3.07Å; I284-V295 HydrophobicContact CG2-CG1 3.81Å; I284-F297 HydrophobicContact CD1-CE1 3.76Å; I284-F297 HydrophobicContact CD1-CZ 4.09Å; I284-F297 HydrophobicContact CG1-CE1 4.17Å; I284-F297 HydrophobicContact CG2-CD1 4.05Å; I284-F297 HydrophobicContact CG2-CE1 3.64Å; I284-F297 HydrophobicContact CG2-CZ 3.94Å
285C52.7Low53Low59 Ų5989.9 Ų89.940%0.39950%0.499SS..  trans-89.5107.7173.6-75.40000110.2C152 G283C152-C285 HydrophobicContact CB-CB 4.31Å; C152-C285 WeakPolarHBondContact CB-SG 3.47Å; C152-C285 WeakPolarHBondContact SG-CB 3.33Å; C152-C285 CovalentContact SG-SG 2.04Å; C152-C285 PolarHBondContact SG-SG 3.42Å; G283-C285 PolarHBondContact O-N 3.24Å; G283-C285 VanDerWaalsContact O-N 3.1Å
286P47.1Very low52Low38 Ų3890.4 Ų90.425%0.24749%0.493CS..  trans-66.9139.9-179.826.5-33.1000111.2I284 Y288 V295I284-P286 VanDerWaalsContact O-CD 3.3Å; I284-P286 WeakPolarHBondContact O-CD 3.07Å; P286-Y288 PolarHBondContact O-N 3.35Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; P286-V295 HydrophobicContact CB-CG1 4.01Å; P286-V295 HydrophobicContact CG-CG1 4.32Å
287K46.3Very low51.4Low173 Ų17388.9 Ų88.975%0.75248%0.479SS*.SBendtrans-63.8-21.8-177-170.4174.7178.1-179.30113.6
288Y41.1Very low50.9Low164 Ų16493.9 Ų93.964%0.64352%0.519SS*.SBendtrans-139.7125.7172.6-57.4-81.9000108.6P286 A290P286-Y288 PolarHBondContact O-N 3.35Å; P286-Y288 VanDerWaalsContact O-N 3.14Å; Y288-A290 PolarHBondContact O-N 3.38Å
289C43.3Very low50.5Low99 Ų9992.5 Ų92.567%0.66952%0.517SS*.  trans-71.1107.6160.2-64.50000107.7
290A42.5Very low50.1Low36 Ų3691.9 Ų91.930%0.29853%0.525SS..  trans-63.1138.3156.800000107.7Y288 D292 G293 F296Y288-A290 PolarHBondContact O-N 3.38Å; A290-D292 PolarHBondContact O-N 3.43Å; A290-G293 PolarHBondContact O-N 2.98Å; A290-F296 HydrophobicContact CB-CE2 4.28Å
291L53.7Low49.6Very low184 Ų18494.5 Ų94.596%0.96354%0.539SS*.THydrogen-bonded Turntrans-59.9-19.2-177.5-70.5165.1000112.9
292D53.1Low48.7Very low158 Ų15894.3 Ų94.385%0.84553%0.532SS*.THydrogen-bonded Turntrans-94.421.1174.7-44.9-59.4000114.1A290 G294A290-D292 PolarHBondContact O-N 3.43Å; D292-G294 PolarHBondContact O-N 2.9Å
293G50.6Low48.3Very low68 Ų6895.1 Ų95.170%0.70153%0.531SS*.  trans73.813.6169.100000117.3A290A290-G293 PolarHBondContact O-N 2.98Å
294G41.7Very low48.1Very low13 Ų13107.2 Ų107.213%0.13457%0.573CS.*  trans-80.5124.4-17800000114.7D292 F296D292-G294 PolarHBondContact O-N 2.9Å; G294-F296 WeakPolarHBondContact O-CD2 3.33Å
295V49.3Very low47.9Very low45 Ų45107.4 Ų107.427%0.27357%0.574SS.*EExtended strand (participates in β ladder)trans-80.2118.9177.3-174.60000111.5I284 P286 F297I284-V295 HydrophobicContact CG2-CG1 3.81Å; P286-V295 HydrophobicContact CB-CG1 4.01Å; P286-V295 HydrophobicContact CG-CG1 4.32Å; V295-F297 HydrophobicContact CB-CE2 4.1Å; V295-F297 HydrophobicContact CG1-CD2 4.05Å; V295-F297 HydrophobicContact CG1-CE2 3.54Å; V295-F297 HydrophobicContact CG1-CZ 3.98Å
296F42.7Very low47.6Very low89 Ų89109.9 Ų109.939%0.3958%0.584SS.*EExtended strand (participates in β ladder)trans-104.5126.4171.6-73-88.5000111.1A290 G294 R302A290-F296 HydrophobicContact CB-CE2 4.28Å; G294-F296 WeakPolarHBondContact O-CD2 3.33Å; F296-R302 HydrophobicContact CD1-CB 4.43Å; F296-R302 HydrophobicContact CE1-CB 4.31Å; F296-R302 HydrophobicContact CE1-CG 4.47Å
297F48.2Very low47.7Very low46 Ų46113.9 Ų113.920%0.20260%0.602CS.*  trans-93160.2-175.1-68.8-109.9000111.7I284 V295 D299 G300 T301 R303I284-F297 HydrophobicContact CD1-CE1 3.76Å; I284-F297 HydrophobicContact CD1-CZ 4.09Å; I284-F297 HydrophobicContact CG1-CE1 4.17Å; I284-F297 HydrophobicContact CG2-CD1 4.05Å; I284-F297 HydrophobicContact CG2-CE1 3.64Å; I284-F297 HydrophobicContact CG2-CZ 3.94Å; V295-F297 HydrophobicContact CB-CE2 4.1Å; V295-F297 HydrophobicContact CG1-CD2 4.05Å; V295-F297 HydrophobicContact CG1-CE2 3.54Å; V295-F297 HydrophobicContact CG1-CZ 3.98Å; F297-D299 PolarHBondContact O-N 2.97Å; F297-G300 PolarHBondContact O-N 2.91Å; F297-G300 VanDerWaalsContact O-N 3.1Å; F297-T301 WeakPolarHBondContact CB-O 3.43Å; F297-T301 WeakPolarHBondContact CD2-O 3.11Å; F297-T301 PolarHBondContact N-O 3.03Å; F297-R303 HydrophobicContact CD2-CG 4.46Å; F297-R303 HydrophobicContact CE2-CB 3.81Å; F297-R303 HydrophobicContact CE2-CG 3.86Å; F297-R303 HydrophobicContact CZ-CB 4.23Å; F297-R303 HydrophobicContact CZ-CG 4.15Å
298A50.7Low47.7Very low110 Ų110110.4 Ų110.491%0.90959%0.594SS**THydrogen-bonded Turntrans-58.5-32.517800000112.9G300A298-G300 PolarHBondContact O-N 3.42Å; A298-G300 VanDerWaalsContact O-N 3.12Å
299D58.1Low48.2Very low139 Ų139107.1 Ų107.174%0.74359%0.591SS**THydrogen-bonded Turntrans-77.813.1179.1-42.1-46.9000113.3F297 T301F297-D299 PolarHBondContact O-N 2.97Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.09Å
300G49.4Very low48.5Very low66 Ų66107.6 Ų107.668%0.6859%0.585SS**SBendtrans70.8-1.8-177.300000115.1F297 A298F297-G300 PolarHBondContact O-N 2.91Å; F297-G300 VanDerWaalsContact O-N 3.1Å; A298-G300 PolarHBondContact O-N 3.42Å; A298-G300 VanDerWaalsContact O-N 3.12Å
301T46.2Very low48.9Very low64 Ų64112.7 Ų112.739%0.39361%0.606SS.*  trans-79149.217964.90000112.1F297 D299F297-T301 WeakPolarHBondContact CB-O 3.43Å; F297-T301 WeakPolarHBondContact CD2-O 3.11Å; F297-T301 PolarHBondContact N-O 3.03Å; D299-T301 PolarHBondContact O-N 3.23Å; D299-T301 VanDerWaalsContact O-N 3.09Å
302R42.7Very low48.5Very low157 Ų157107.2 Ų107.259%0.59258%0.578SS**EExtended strand (participates in β ladder)trans-114.7120.6172.9178.8-175.2-179.7-1795.7107.9F296F296-R302 HydrophobicContact CD1-CB 4.43Å; F296-R302 HydrophobicContact CE1-CB 4.31Å; F296-R302 HydrophobicContact CE1-CG 4.47Å
303R50.8Low48.2Very low173 Ų173103 Ų10365%0.65356%0.556SS**EExtended strand (participates in β ladder)trans-102.4146.8167-58.7-172.7-177.5-165.71.3108.6F297F297-R303 HydrophobicContact CD2-CG 4.46Å; F297-R303 HydrophobicContact CE2-CB 3.81Å; F297-R303 HydrophobicContact CE2-CG 3.86Å; F297-R303 HydrophobicContact CZ-CB 4.23Å; F297-R303 HydrophobicContact CZ-CG 4.15Å
304R47.5Very low47.9Very low266 Ų266106.2 Ų106.2100%1.00454%0.543SS*.  trans-960166.9-71.9-169.5-176.8-160.54.1108.7

Retrieved 304 of 304 residues in 200.3 ms (Link to these results)