A0A077ZGJ1_TRITR Loading...

Cpn60 TCP1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZGJ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 97 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
1M60.1Low83.7Confident125 Ų12599.5 Ų99.562%0.61658%0.579SS**  0118.40-164167.816800104.5I15 L22M1-I15 HydrophobicContact CE-CG1 4.39Å; M1-I15 HydrophobicContact CE-CG2 4.42Å; M1-L22 HydrophobicContact SD-CD1 4.42Å
2P64.3Low84.4Confident101 Ų101101.4 Ų101.466%0.65658%0.575SS**  trans-53.4149.118022.1-30.4000109.2I4P2-I4 HydrophobicContact CG-CD1 4.21Å; P2-I4 HydrophobicContact CG-CG1 4.08Å; P2-I4 PolarHBondContact O-N 3.03Å
3D75Confident85Confident140 Ų14098.2 Ų98.275%0.74956%0.563SS**  trans-70.585175.5-74.7-40.8000108.9R19D3-R19 IonicContact OD1-NH2 3.48Å; D3-R19 PolarHBondContact OD1-NH2 3.44Å
4I82.9Confident85.3Confident94 Ų9495.9 Ų95.948%0.48255%0.551SS.*  trans-80.1119175.3-61166.3000107.1P2 V6P2-I4 HydrophobicContact CG-CD1 4.21Å; P2-I4 HydrophobicContact CG-CG1 4.08Å; P2-I4 PolarHBondContact O-N 3.03Å; I4-V6 HydrophobicContact CG2-CG1 3.97Å
5E85.4Confident85.6Confident191 Ų19191 Ų9189%0.89352%0.522SS*.  trans-82.3123170.2-65.7-168.8166.800110.1
6V90.6Very high85.7Confident40 Ų4091.1 Ų91.124%0.24252%0.516CS..  trans-119.2136.3174-63.20000109.7I4 A11 K12 I15I4-V6 HydrophobicContact CG2-CG1 3.97Å; V6-A11 HydrophobicContact CB-CB 4.05Å; V6-A11 HydrophobicContact CG2-CB 3.74Å; V6-K12 HydrophobicContact CG2-CB 4.31Å; V6-K12 HydrophobicContact CG2-CG 3.55Å; V6-K12 WeakPolarHBondContact O-CE 3.33Å; V6-I15 HydrophobicContact CB-CD1 4.4Å; V6-I15 HydrophobicContact CG1-CD1 3.78Å; V6-I15 HydrophobicContact CG2-CD1 3.66Å
7A92.7Very high85.9Confident102 Ų10290.1 Ų90.184%0.84351%0.508SS*.SBendtrans-73.7-36.4-178.700000112.5
8H93.3Very high86.1Confident120 Ų12085.7 Ų85.756%0.55649%0.485SS*.SBendtrans-76.3128.2-171.7-167.1-85.2000111.9A10 A11 K12H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 WeakPolarHBondContact CE1-CB 3.43Å; H8-A10 VanDerWaalsContact ND1-CB 3.33Å; H8-A10 WeakPolarHBondContact ND1-CB 3.26Å; H8-A10 PolarHBondContact ND1-N 3.37Å; H8-A10 VanDerWaalsContact ND1-N 3.12Å; H8-A10 PolarHBondContact O-N 2.85Å; H8-A11 HydrophobicContact CB-CB 4.04Å; H8-A11 WeakPolarHBondContact O-CB 3.44Å; H8-A11 PolarHBondContact O-N 3.25Å; H8-K12 PolarHBondContact O-N 2.94Å; H8-K12 VanDerWaalsContact O-N 3.07Å
9P94Very high86.1Confident94 Ų9486.7 Ų86.761%0.6148%0.48SS*.Hα-helixtrans-60.3-40.3-177.122.3-32.6000112.7A11 K12 S13P9-A11 VanDerWaalsContact C-N 3.28Å; P9-A11 PolarHBondContact O-N 3.36Å; P9-K12 WeakPolarHBondContact O-CB 3.31Å; P9-K12 PolarHBondContact O-N 3.02Å; P9-K12 VanDerWaalsContact O-N 3.14Å; P9-S13 PolarHBondContact O-N 3.45Å; P9-S13 PolarHBondContact O-OG 3.15Å
10A91.4Very high86.1Confident52 Ų5288.7 Ų88.743%0.4348%0.481SS..Hα-helixtrans-64.8-32.5176.400000112.7H8 K12 S13 V14H8-A10 VanDerWaalsContact C-N 3.34Å; H8-A10 WeakPolarHBondContact CE1-CB 3.43Å; H8-A10 VanDerWaalsContact ND1-CB 3.33Å; H8-A10 WeakPolarHBondContact ND1-CB 3.26Å; H8-A10 PolarHBondContact ND1-N 3.37Å; H8-A10 VanDerWaalsContact ND1-N 3.12Å; H8-A10 PolarHBondContact O-N 2.85Å; A10-K12 VanDerWaalsContact C-N 3.35Å; A10-S13 PolarHBondContact O-N 3.41Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.32Å
11A90.7Very high86.2Confident35 Ų3587.8 Ų87.829%0.28947%0.472SS..Hα-helixtrans-69.8-36.3175.700000110.8V6 H8 P9 S13 V14 I15V6-A11 HydrophobicContact CB-CB 4.05Å; V6-A11 HydrophobicContact CG2-CB 3.74Å; H8-A11 HydrophobicContact CB-CB 4.04Å; H8-A11 WeakPolarHBondContact O-CB 3.44Å; H8-A11 PolarHBondContact O-N 3.25Å; P9-A11 VanDerWaalsContact C-N 3.28Å; P9-A11 PolarHBondContact O-N 3.36Å; A11-S13 VanDerWaalsContact C-N 3.35Å; A11-V14 PolarHBondContact O-N 3.32Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 2.99Å
12K92.3Very high87.3Confident123 Ų12384.7 Ų84.754%0.53546%0.458SS..Hα-helixtrans-60.1-45.4171.8-64.7-173.4-179.3-177.10111.1V6 H8 P9 A10 V14 I15 E16V6-K12 HydrophobicContact CG2-CB 4.31Å; V6-K12 HydrophobicContact CG2-CG 3.55Å; V6-K12 WeakPolarHBondContact O-CE 3.33Å; H8-K12 PolarHBondContact O-N 2.94Å; H8-K12 VanDerWaalsContact O-N 3.07Å; P9-K12 WeakPolarHBondContact O-CB 3.31Å; P9-K12 PolarHBondContact O-N 3.02Å; P9-K12 VanDerWaalsContact O-N 3.14Å; A10-K12 VanDerWaalsContact C-N 3.35Å; K12-V14 PolarHBondContact O-N 3.3Å; K12-I15 PolarHBondContact O-N 3.45Å; K12-E16 PolarHBondContact O-N 3.24Å
13S91.7Very high88.3Confident60 Ų6089.4 Ų89.442%0.4246%0.463SS..Hα-helixtrans-60.2-42.4176.2-57.40000112.4P9 A10 A11 I15 E16 I17P9-S13 PolarHBondContact O-N 3.45Å; P9-S13 PolarHBondContact O-OG 3.15Å; A10-S13 PolarHBondContact O-N 3.41Å; A11-S13 VanDerWaalsContact C-N 3.35Å; S13-I15 PolarHBondContact O-N 2.93Å; S13-E16 WeakPolarHBondContact O-CB 3.38Å; S13-E16 PolarHBondContact O-N 2.96Å; S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.43Å; S13-I17 PolarHBondContact O-N 3.03Å
14V90Very high88.8Confident65 Ų6587.6 Ų87.639%0.39446%0.461SS..Hα-helixtrans-61.4-42.81761700000111.6A10 A11 K12 E16 I17 S18 F35A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.32Å; A11-V14 PolarHBondContact O-N 3.32Å; K12-V14 PolarHBondContact O-N 3.3Å; V14-E16 VanDerWaalsContact C-N 3.33Å; V14-E16 PolarHBondContact O-N 3.38Å; V14-I17 PolarHBondContact O-N 3.42Å; V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.3Å; V14-F35 HydrophobicContact CG1-CD1 3.86Å; V14-F35 HydrophobicContact CG1-CE1 3.82Å; V14-F35 HydrophobicContact CG1-CG 4.44Å; V14-F35 HydrophobicContact CG1-CZ 4.35Å
15I89.1Confident88.5Confident23 Ų2385.5 Ų85.512%0.11845%0.45CS..Hα-helixtrans-63-41.5175.3-67.2171.4000110.7M1 V6 A11 K12 S13 S18 R19M1-I15 HydrophobicContact CE-CG1 4.39Å; M1-I15 HydrophobicContact CE-CG2 4.42Å; V6-I15 HydrophobicContact CB-CD1 4.4Å; V6-I15 HydrophobicContact CG1-CD1 3.78Å; V6-I15 HydrophobicContact CG2-CD1 3.66Å; A11-I15 WeakPolarHBondContact O-CG1 3.45Å; A11-I15 PolarHBondContact O-N 2.99Å; K12-I15 PolarHBondContact O-N 3.45Å; S13-I15 PolarHBondContact O-N 2.93Å; I15-S18 WeakPolarHBondContact O-CB 3.36Å; I15-S18 PolarHBondContact O-N 3.4Å; I15-R19 WeakPolarHBondContact O-CG 3.43Å; I15-R19 PolarHBondContact O-N 2.89Å; I15-R19 VanDerWaalsContact O-N 3.09Å
16E87.8Confident87.9Confident92 Ų9288 Ų8843%0.4345%0.452SS..Hα-helixtrans-62.9-48.5177.8-155.7-170.3156.300111.7K12 S13 V14 S18 R19 Y20K12-E16 PolarHBondContact O-N 3.24Å; S13-E16 WeakPolarHBondContact O-CB 3.38Å; S13-E16 PolarHBondContact O-N 2.96Å; V14-E16 VanDerWaalsContact C-N 3.33Å; V14-E16 PolarHBondContact O-N 3.38Å; E16-S18 VanDerWaalsContact C-N 3.28Å; E16-S18 PolarHBondContact O-N 2.96Å; E16-R19 WeakPolarHBondContact O-CB 3.47Å; E16-R19 PolarHBondContact O-N 3.34Å; E16-R19 VanDerWaalsContact O-N 3.12Å; E16-Y20 HydrophobicContact CG-CE2 3.82Å; E16-Y20 WeakPolarHBondContact O-CD2 3.49Å; E16-Y20 PolarHBondContact O-N 3.46Å; E16-Y20 PolarHBondContact OE1-OH 3.44Å
17I89.4Confident87.6Confident74 Ų7490.2 Ų90.238%0.37946%0.461SS..Hα-helixtrans-57.3-43.3174.2-65.2163.1000110.5S13 V14 R19 Y20 F21 F35S13-I17 VanDerWaalsContact O-CG1 3.25Å; S13-I17 WeakPolarHBondContact O-CG1 3.43Å; S13-I17 PolarHBondContact O-N 3.03Å; V14-I17 PolarHBondContact O-N 3.42Å; I17-R19 VanDerWaalsContact C-N 3.26Å; I17-R19 PolarHBondContact O-N 3.42Å; I17-Y20 PolarHBondContact O-N 3.17Å; I17-F21 HydrophobicContact CG2-CD1 4.33Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.06Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 HydrophobicContact CG2-CG 4.32Å; I17-F21 HydrophobicContact CG2-CZ 3.73Å; I17-F21 PolarHBondContact O-N 3.19Å; I17-F35 HydrophobicContact CB-CE1 4.38Å; I17-F35 HydrophobicContact CB-CZ 4.32Å; I17-F35 HydrophobicContact CG2-CE1 4Å; I17-F35 HydrophobicContact CG2-CZ 3.93Å
18S88.5Confident87Confident12 Ų1294.2 Ų94.28%0.08445%0.454CS..Hα-helixtrans-58-39.1178.3-58.30000112V14 I15 E16 F21 L22 F35V14-S18 WeakPolarHBondContact O-CB 3.49Å; V14-S18 PolarHBondContact O-N 3.31Å; V14-S18 PolarHBondContact O-OG 3.3Å; I15-S18 WeakPolarHBondContact O-CB 3.36Å; I15-S18 PolarHBondContact O-N 3.4Å; E16-S18 VanDerWaalsContact C-N 3.28Å; E16-S18 PolarHBondContact O-N 2.96Å; S18-F21 PolarHBondContact O-N 3.05Å; S18-L22 WeakPolarHBondContact O-CB 3.22Å; S18-L22 WeakPolarHBondContact O-CD1 3.24Å; S18-L22 VanDerWaalsContact O-CG 3.22Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.87Å; S18-F35 WeakPolarHBondContact OG-CE2 3.42Å; S18-F35 WeakPolarHBondContact OG-CZ 3.25Å
19R86.4Confident86.7Confident105 Ų10594.8 Ų94.840%0.39646%0.46SS..Hα-helixtrans-66-37.9177.2-69.5172.7180141.4-6.6111.9D3 I15 E16 I17D3-R19 IonicContact OD1-NH2 3.48Å; D3-R19 PolarHBondContact OD1-NH2 3.44Å; I15-R19 WeakPolarHBondContact O-CG 3.43Å; I15-R19 PolarHBondContact O-N 2.89Å; I15-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 WeakPolarHBondContact O-CB 3.47Å; E16-R19 PolarHBondContact O-N 3.34Å; E16-R19 VanDerWaalsContact O-N 3.12Å; I17-R19 VanDerWaalsContact C-N 3.26Å; I17-R19 PolarHBondContact O-N 3.42Å
20Y87.4Confident86.3Confident125 Ų12595.2 Ų95.249%0.4945%0.454SS..Hα-helixtrans-67.8-45.3173.6-66.5-71.9000111.4E16 I17 L22 R23E16-Y20 HydrophobicContact CG-CE2 3.82Å; E16-Y20 WeakPolarHBondContact O-CD2 3.49Å; E16-Y20 PolarHBondContact O-N 3.46Å; E16-Y20 PolarHBondContact OE1-OH 3.44Å; I17-Y20 PolarHBondContact O-N 3.17Å; Y20-L22 VanDerWaalsContact C-N 3.35Å; Y20-L22 PolarHBondContact O-N 3.16Å; Y20-R23 WeakPolarHBondContact O-CB 3.32Å; Y20-R23 PolarHBondContact O-N 2.96Å
21F86.5Confident86.1Confident70 Ų7093.2 Ų93.231%0.30744%0.436SS..Hα-helixtrans-62.2-39.2177.9-74.1-4.3000112.9I17 S18 R23 S24 I25 I31 F35I17-F21 HydrophobicContact CG2-CD1 4.33Å; I17-F21 HydrophobicContact CG2-CD2 4Å; I17-F21 HydrophobicContact CG2-CE1 4.06Å; I17-F21 HydrophobicContact CG2-CE2 3.69Å; I17-F21 HydrophobicContact CG2-CG 4.32Å; I17-F21 HydrophobicContact CG2-CZ 3.73Å; I17-F21 PolarHBondContact O-N 3.19Å; S18-F21 PolarHBondContact O-N 3.05Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-R23 VanDerWaalsContact O-N 3.1Å; F21-S24 PolarHBondContact O-N 3.02Å; F21-I25 HydrophobicContact CB-CD1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.47Å; F21-I25 PolarHBondContact O-N 3.14Å; F21-I31 HydrophobicContact CB-CD1 4.3Å; F21-I31 HydrophobicContact CB-CG1 4.3Å; F21-I31 HydrophobicContact CB-CG2 4.24Å; F21-F35 HydrophobicContact CD2-CE2 4.28Å; F21-F35 AromaticContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CE2-CZ 4.27Å
22L84.7Confident86Confident60 Ų6096.8 Ų96.831%0.31445%0.45SS..Hα-helixtrans-60.4-19.8174.8-77.3166.3000113.9M1 S18 Y20 R28 I31M1-L22 HydrophobicContact SD-CD1 4.42Å; S18-L22 WeakPolarHBondContact O-CB 3.22Å; S18-L22 WeakPolarHBondContact O-CD1 3.24Å; S18-L22 VanDerWaalsContact O-CG 3.22Å; S18-L22 WeakPolarHBondContact O-CG 3.42Å; S18-L22 PolarHBondContact O-N 2.87Å; Y20-L22 VanDerWaalsContact C-N 3.35Å; Y20-L22 PolarHBondContact O-N 3.16Å; L22-R28 HydrophobicContact CD2-CG 4.39Å; L22-I31 HydrophobicContact CB-CD1 4.4Å; L22-I31 HydrophobicContact CD2-CD1 3.56Å; L22-I31 HydrophobicContact CG-CD1 3.85Å
23R85.5Confident86Confident200 Ų20092.7 Ų92.776%0.75544%0.439SS*.Hα-helixtrans-81.7-29.3174.9-65.5173.9179.2173.30.3112.4Y20 F21Y20-R23 WeakPolarHBondContact O-CB 3.32Å; Y20-R23 PolarHBondContact O-N 2.96Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-R23 VanDerWaalsContact O-N 3.1Å
24S83.9Confident85.9Confident102 Ų10292.1 Ų92.171%0.71344%0.435SS*.Hα-helixtrans-103.4-43.8-174.3-56.50000112.9F21F21-S24 PolarHBondContact O-N 3.02Å
25I77.5Confident86Confident50 Ų5091 Ų9126%0.25642%0.424SS..  trans-93.3121.2179-59.4174.2000108.1F21 E30 I31F21-I25 HydrophobicContact CB-CD1 4.44Å; F21-I25 HydrophobicContact CG-CD1 4.47Å; F21-I25 PolarHBondContact O-N 3.14Å; I25-E30 HydrophobicContact CG2-CB 4.02Å; I25-E30 VanDerWaalsContact CG2-OE2 3.31Å; I25-E30 WeakPolarHBondContact CG2-OE2 3.31Å; I25-I31 HydrophobicContact CB-CD1 4.01Å; I25-I31 HydrophobicContact CB-CG1 3.78Å; I25-I31 HydrophobicContact CD1-CG1 4.22Å; I25-I31 HydrophobicContact CG2-CD1 4.15Å; I25-I31 HydrophobicContact CG2-CG1 3.61Å
26R73.5Confident86.3Confident244 Ų24494 Ų9492%0.92144%0.44SS*.  trans-82.1-26.5-176.3-67.2-177.5175.4-173.7-0.5112.9
27I83Confident86.6Confident87 Ų8794.9 Ų94.945%0.44644%0.444SS..  trans-96.3112.8-173.1-60.2166.7000108.9I29 E30 I31I27-I29 HydrophobicContact CG2-CB 4.11Å; I27-I29 PolarHBondContact O-N 2.97Å; I27-E30 HydrophobicContact CB-CG 4.01Å; I27-E30 WeakPolarHBondContact CD1-OE1 3.42Å; I27-E30 HydrophobicContact CG2-CG 3.96Å; I27-E30 PolarHBondContact O-N 3.36Å; I27-I31 PolarHBondContact O-N 2.71Å
28R80.2Confident86.7Confident185 Ų18593.9 Ų93.970%0.69845%0.446SS*.Hα-helixtrans-61.5-29-176.9-60.6-175.9-165.3-81.8-1.9113.3L22 I31 L32L22-R28 HydrophobicContact CD2-CG 4.39Å; R28-I31 PolarHBondContact O-N 3.05Å; R28-L32 PolarHBondContact O-N 3.3Å; R28-L32 VanDerWaalsContact O-N 3.11Å
29I86.8Confident87Confident133 Ų13396 Ų9668%0.68247%0.465SS*.Hα-helixtrans-65-44.6179.9-63.3171.3000110.3I27 I31 L32 A33I27-I29 HydrophobicContact CG2-CB 4.11Å; I27-I29 PolarHBondContact O-N 2.97Å; I29-I31 VanDerWaalsContact C-N 3.3Å; I29-I31 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-L32 VanDerWaalsContact O-N 3.15Å; I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 2.92Å
30E86Confident87.5Confident102 Ų10296.9 Ų96.948%0.47747%0.474SS..Hα-helixtrans-61.3-40.3178.1-65.2172.8174.200111.6I25 I27 A33 C34I25-E30 HydrophobicContact CG2-CB 4.02Å; I25-E30 VanDerWaalsContact CG2-OE2 3.31Å; I25-E30 WeakPolarHBondContact CG2-OE2 3.31Å; I27-E30 HydrophobicContact CB-CG 4.01Å; I27-E30 WeakPolarHBondContact CD1-OE1 3.42Å; I27-E30 HydrophobicContact CG2-CG 3.96Å; I27-E30 PolarHBondContact O-N 3.36Å; E30-A33 PolarHBondContact O-N 2.85Å; E30-C34 WeakPolarHBondContact O-CB 3.19Å; E30-C34 PolarHBondContact O-N 3.23Å
31I87.4Confident87.8Confident10 Ų1095.4 Ų95.45%0.05147%0.473CS..Hα-helixtrans-61.8-46.6175.8-60.6174.6000110.4F21 L22 I25 I27 R28 I29 C34 F35F21-I31 HydrophobicContact CB-CD1 4.3Å; F21-I31 HydrophobicContact CB-CG1 4.3Å; F21-I31 HydrophobicContact CB-CG2 4.24Å; L22-I31 HydrophobicContact CB-CD1 4.4Å; L22-I31 HydrophobicContact CD2-CD1 3.56Å; L22-I31 HydrophobicContact CG-CD1 3.85Å; I25-I31 HydrophobicContact CB-CD1 4.01Å; I25-I31 HydrophobicContact CB-CG1 3.78Å; I25-I31 HydrophobicContact CD1-CG1 4.22Å; I25-I31 HydrophobicContact CG2-CD1 4.15Å; I25-I31 HydrophobicContact CG2-CG1 3.61Å; I27-I31 PolarHBondContact O-N 2.71Å; R28-I31 PolarHBondContact O-N 3.05Å; I29-I31 VanDerWaalsContact C-N 3.3Å; I29-I31 PolarHBondContact O-N 3.43Å; I31-C34 PolarHBondContact O-N 2.84Å; I31-F35 HydrophobicContact CG2-CD2 3.95Å; I31-F35 HydrophobicContact CG2-CE2 3.52Å; I31-F35 WeakPolarHBondContact O-CD2 3.49Å; I31-F35 PolarHBondContact O-N 3.42Å
32L89.2Confident88.1Confident110 Ų11097.6 Ų97.658%0.57649%0.488SS*.Hα-helixtrans-62.6-45.1178.1177.762.5000111.5R28 I29 C34 F35 I36R28-L32 PolarHBondContact O-N 3.3Å; R28-L32 VanDerWaalsContact O-N 3.11Å; I29-L32 PolarHBondContact O-N 3.35Å; I29-L32 VanDerWaalsContact O-N 3.15Å; L32-C34 PolarHBondContact O-N 3.03Å; L32-F35 PolarHBondContact O-N 3.02Å; L32-I36 HydrophobicContact CD1-CD1 4.24Å; L32-I36 HydrophobicContact CG-CD1 4.01Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.1Å
33A91.8Very high88.6Confident38 Ų3899.1 Ų99.131%0.31450%0.496SS..Hα-helixtrans-58.1-48.2178.100000111.4I29 E30 F35 I36 E37I29-A33 WeakPolarHBondContact O-CB 3.21Å; I29-A33 PolarHBondContact O-N 2.92Å; E30-A33 PolarHBondContact O-N 2.85Å; A33-F35 VanDerWaalsContact C-N 3.28Å; A33-F35 PolarHBondContact O-N 3.14Å; A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 3.12Å; A33-E37 WeakPolarHBondContact O-CG 3.36Å; A33-E37 PolarHBondContact O-N 3.02Å
34C90.4Very high89.1Confident48 Ų4892.6 Ų92.632%0.32449%0.485SS..Hα-helixtrans-56.6-39177.5-179.20000112.8E30 I31 L32 A38E30-C34 WeakPolarHBondContact O-CB 3.19Å; E30-C34 PolarHBondContact O-N 3.23Å; I31-C34 PolarHBondContact O-N 2.84Å; L32-C34 PolarHBondContact O-N 3.03Å; C34-A38 WeakPolarHBondContact O-CB 2.98Å; C34-A38 PolarHBondContact O-N 3.45Å
35F92.2Very high89.6Confident41 Ų4188.6 Ų88.618%0.1846%0.456CS..Hα-helixtrans-70.8-34.8176.4-75.1-59.5000113.5V14 I17 S18 F21 I31 L32 A33 A39V14-F35 HydrophobicContact CG1-CD1 3.86Å; V14-F35 HydrophobicContact CG1-CE1 3.82Å; V14-F35 HydrophobicContact CG1-CG 4.44Å; V14-F35 HydrophobicContact CG1-CZ 4.35Å; I17-F35 HydrophobicContact CB-CE1 4.38Å; I17-F35 HydrophobicContact CB-CZ 4.32Å; I17-F35 HydrophobicContact CG2-CE1 4Å; I17-F35 HydrophobicContact CG2-CZ 3.93Å; S18-F35 WeakPolarHBondContact OG-CE2 3.42Å; S18-F35 WeakPolarHBondContact OG-CZ 3.25Å; F21-F35 HydrophobicContact CD2-CE2 4.28Å; F21-F35 AromaticContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CD2-CZ 3.96Å; F21-F35 HydrophobicContact CE2-CZ 4.27Å; I31-F35 HydrophobicContact CG2-CD2 3.95Å; I31-F35 HydrophobicContact CG2-CE2 3.52Å; I31-F35 WeakPolarHBondContact O-CD2 3.49Å; I31-F35 PolarHBondContact O-N 3.42Å; L32-F35 PolarHBondContact O-N 3.02Å; A33-F35 VanDerWaalsContact C-N 3.28Å; A33-F35 PolarHBondContact O-N 3.14Å; F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.48Å; F35-A39 VanDerWaalsContact O-N 3.07Å
36I93.7Very high90.3Very high86 Ų8692 Ų9244%0.44147%0.469SS..Hα-helixtrans-65.1-49.3174.6-67.2166.7000109.3L32 A33 A38 A39 E40L32-I36 HydrophobicContact CD1-CD1 4.24Å; L32-I36 HydrophobicContact CG-CD1 4.01Å; L32-I36 WeakPolarHBondContact O-CG1 3.44Å; L32-I36 PolarHBondContact O-N 3.35Å; L32-I36 VanDerWaalsContact O-N 3.1Å; A33-I36 WeakPolarHBondContact O-CB 3.37Å; A33-I36 PolarHBondContact O-N 3.12Å; I36-A38 PolarHBondContact O-N 3.32Å; I36-A39 WeakPolarHBondContact O-CB 3.33Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A39 VanDerWaalsContact O-N 3.09Å; I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.39Å; I36-E40 PolarHBondContact O-N 3.33Å
37E94Very high91.2Very high111 Ų11183.4 Ų83.452%0.51945%0.445SS..Hα-helixtrans-58.6-44.5177.7-69.1168.6177.900111.8A33 A39 E40 I41A33-E37 WeakPolarHBondContact O-CG 3.36Å; A33-E37 PolarHBondContact O-N 3.02Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 3.38Å; E37-E40 WeakPolarHBondContact O-CB 3.35Å; E37-E40 PolarHBondContact O-N 3.1Å; E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 3.49Å
38A92.9Very high91.7Very high52 Ų5283.5 Ų83.543%0.4344%0.443SS..Hα-helixtrans-61.8-38.8175.900000112.4C34 I36 L42C34-A38 WeakPolarHBondContact O-CB 2.98Å; C34-A38 PolarHBondContact O-N 3.45Å; I36-A38 PolarHBondContact O-N 3.32Å; A38-L42 WeakPolarHBondContact O-CB 3.47Å; A38-L42 PolarHBondContact O-N 2.98Å
39A93.9Very high91.9Very high58 Ų5878.3 Ų78.348%0.47943%0.434SS..Hα-helixtrans-68.6-36.6176.300000112.1F35 I36 E37 L42 N43F35-A39 WeakPolarHBondContact O-CB 3.42Å; F35-A39 PolarHBondContact O-N 3.48Å; F35-A39 VanDerWaalsContact O-N 3.07Å; I36-A39 WeakPolarHBondContact O-CB 3.33Å; I36-A39 PolarHBondContact O-N 3.32Å; I36-A39 VanDerWaalsContact O-N 3.09Å; E37-A39 VanDerWaalsContact C-N 3.31Å; E37-A39 PolarHBondContact O-N 3.38Å; A39-L42 PolarHBondContact O-N 3.29Å; A39-N43 VanDerWaalsContact O-CB 3.31Å; A39-N43 WeakPolarHBondContact O-CB 3.28Å; A39-N43 PolarHBondContact O-N 3.23Å
40E96.5Very high92.1Very high122 Ų12280.4 Ų80.457%0.5744%0.438SS*.Hα-helixtrans-64.7-47174.8-73.5178.917400111.7I36 E37 L42 N43 A44I36-E40 HydrophobicContact CG2-CG 4.5Å; I36-E40 WeakPolarHBondContact O-CG 3.39Å; I36-E40 PolarHBondContact O-N 3.33Å; E37-E40 WeakPolarHBondContact O-CB 3.35Å; E37-E40 PolarHBondContact O-N 3.1Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 2.84Å; E40-N43 WeakPolarHBondContact O-CB 3.35Å; E40-N43 PolarHBondContact O-N 3.31Å; E40-N43 VanDerWaalsContact O-N 3.14Å; E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.11Å
41I94.8Very high92.4Very high94 Ų9481.4 Ų81.448%0.48244%0.443SS..Hα-helixtrans-58.2-46.7174.5-66.6167000110E37 N43 A44 T45 L62E37-I41 WeakPolarHBondContact O-CG1 3.47Å; E37-I41 PolarHBondContact O-N 3.49Å; I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 PolarHBondContact O-N 3.18Å; I41-A44 WeakPolarHBondContact O-CB 3.37Å; I41-A44 PolarHBondContact O-N 3.23Å; I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 2.83Å; I41-T45 VanDerWaalsContact O-N 3.11Å; I41-L62 HydrophobicContact CG2-CD1 4.39Å; I41-L62 HydrophobicContact CG2-CD2 3.93Å
42L93Very high92.4Very high117 Ų11788.2 Ų88.261%0.61348%0.48SS*.Hα-helixtrans-61.8-41.5177.1-17761.6000111.7A38 A39 E40 A44 T45A38-L42 WeakPolarHBondContact O-CB 3.47Å; A38-L42 PolarHBondContact O-N 2.98Å; A39-L42 PolarHBondContact O-N 3.29Å; E40-L42 VanDerWaalsContact C-N 3.32Å; E40-L42 PolarHBondContact O-N 2.84Å; L42-A44 VanDerWaalsContact C-N 3.34Å; L42-T45 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 3.42Å
43N95.1Very high92.6Very high92 Ų9286 Ų8649%0.49247%0.468SS..Hα-helixtrans-64-39.8176.8-171.762.1000112A39 E40 I41 T45 K46A39-N43 VanDerWaalsContact O-CB 3.31Å; A39-N43 WeakPolarHBondContact O-CB 3.28Å; A39-N43 PolarHBondContact O-N 3.23Å; E40-N43 WeakPolarHBondContact O-CB 3.35Å; E40-N43 PolarHBondContact O-N 3.31Å; E40-N43 VanDerWaalsContact O-N 3.14Å; I41-N43 VanDerWaalsContact C-N 3.33Å; I41-N43 PolarHBondContact O-N 3.18Å; N43-T45 PolarHBondContact O-N 3.14Å; N43-K46 WeakPolarHBondContact O-CB 3.34Å; N43-K46 WeakPolarHBondContact O-CG 3.38Å; N43-K46 PolarHBondContact O-N 3.44Å; N43-K46 WeakPolarHBondContact OD1-CD 3.49Å; N43-K46 VanDerWaalsContact OD1-CE 3.28Å; N43-K46 WeakPolarHBondContact OD1-CE 3.44Å; N43-K46 PolarHBondContact OD1-NZ 3.29Å
44A95.1Very high92.8Very high63 Ų6389.7 Ų89.752%0.52148%0.478SS..Hα-helixtrans-63.5-25.5175.200000112.6E40 I41 L42 P47E40-A44 WeakPolarHBondContact O-CB 3.42Å; E40-A44 PolarHBondContact O-N 3.11Å; I41-A44 WeakPolarHBondContact O-CB 3.37Å; I41-A44 PolarHBondContact O-N 3.23Å; L42-A44 VanDerWaalsContact C-N 3.34Å; A44-P47 WeakPolarHBondContact O-CD 3.39Å
45T94.1Very high93Very high18 Ų1890.9 Ų90.911%0.1149%0.485CS..Hα-helixtrans-81.8-1517870.50000114.6I41 L42 N43 F48 S49 I58 L62I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 2.83Å; I41-T45 VanDerWaalsContact O-N 3.11Å; L42-T45 PolarHBondContact O-N 3.41Å; L42-T45 PolarHBondContact O-OG1 3.42Å; N43-T45 PolarHBondContact O-N 3.14Å; T45-F48 WeakPolarHBondContact O-CB 3.1Å; T45-F48 PolarHBondContact O-N 2.85Å; T45-S49 PolarHBondContact O-N 3.02Å; T45-I58 HydrophobicContact CG2-CG2 3.89Å; T45-L62 HydrophobicContact CG2-CD1 3.89Å; T45-L62 HydrophobicContact CG2-CD2 4.26Å; T45-L62 HydrophobicContact CG2-CG 4.49Å
46K92Very high93.2Very high120 Ų12091.9 Ų91.952%0.52250%0.495SS..Hα-helixtrans-53.7-39.2-177.7-69.8177.5-179.6168.80114.5N43 F48 S49 K50N43-K46 WeakPolarHBondContact O-CB 3.34Å; N43-K46 WeakPolarHBondContact O-CG 3.38Å; N43-K46 PolarHBondContact O-N 3.44Å; N43-K46 WeakPolarHBondContact OD1-CD 3.49Å; N43-K46 VanDerWaalsContact OD1-CE 3.28Å; N43-K46 WeakPolarHBondContact OD1-CE 3.44Å; N43-K46 PolarHBondContact OD1-NZ 3.29Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 2.75Å; K46-S49 WeakPolarHBondContact O-CB 2.86Å; K46-S49 PolarHBondContact O-N 3.38Å; K46-K50 PolarHBondContact O-N 3.06Å
47P93.7Very high93.3Very high65 Ų6593 Ų9342%0.42250%0.498SS..Hα-helixtrans-61.6-36.9176.8-22.935.6000113A44 S49 K50 Q51A44-P47 WeakPolarHBondContact O-CD 3.39Å; P47-S49 VanDerWaalsContact C-N 3.3Å; P47-S49 PolarHBondContact O-N 3.08Å; P47-K50 WeakPolarHBondContact O-CB 3.38Å; P47-K50 PolarHBondContact O-N 3.42Å; P47-Q51 WeakPolarHBondContact O-CG 3.09Å; P47-Q51 PolarHBondContact O-N 3.27Å; P47-Q51 VanDerWaalsContact O-N 3.16Å
48F93.6Very high93.4Very high89 Ų8988.8 Ų88.839%0.3948%0.479SS..Hα-helixtrans-66-34.7179-53.6-52.5000111.8T45 K46 K50 Q51 I53 I58T45-F48 WeakPolarHBondContact O-CB 3.1Å; T45-F48 PolarHBondContact O-N 2.85Å; K46-F48 VanDerWaalsContact C-N 3.32Å; K46-F48 PolarHBondContact O-N 2.75Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.06Å; F48-Q51 PolarHBondContact O-N 3.12Å; F48-I53 HydrophobicContact CB-CD1 4.03Å; F48-I53 HydrophobicContact CD1-CD1 4.2Å; F48-I53 HydrophobicContact CG-CD1 4.49Å; F48-I53 WeakPolarHBondContact O-CB 3.4Å; F48-I53 PolarHBondContact O-N 3.48Å; F48-I58 HydrophobicContact CB-CD1 3.74Å; F48-I58 HydrophobicContact CB-CG1 4.12Å
49S84.2Confident93.5Very high75 Ų7590.7 Ų90.752%0.52448%0.481SS..Hα-helixtrans-64.3-32.7171.7-174.60000112.5T45 K46 P47 Q51T45-S49 PolarHBondContact O-N 3.02Å; K46-S49 WeakPolarHBondContact O-CB 2.86Å; K46-S49 PolarHBondContact O-N 3.38Å; P47-S49 VanDerWaalsContact C-N 3.3Å; P47-S49 PolarHBondContact O-N 3.08Å; S49-Q51 VanDerWaalsContact C-N 3.3Å
50K90.6Very high93.7Very high177 Ų17795.2 Ų95.277%0.7749%0.485SS*.Hα-helixtrans-75-20175.5-64.9-178.2179.5-178.50113K46 P47 F48 N52K46-K50 PolarHBondContact O-N 3.06Å; P47-K50 WeakPolarHBondContact O-CB 3.38Å; P47-K50 PolarHBondContact O-N 3.42Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.06Å; K50-N52 VanDerWaalsContact C-N 3.26Å; K50-N52 PolarHBondContact O-N 3.36Å
51Q92.5Very high93.7Very high123 Ų12392.2 Ų92.258%0.57548%0.482SS*.THydrogen-bonded Turntrans-86.711.9177.4-66.5174.420.700113P47 F48 S49 I53P47-Q51 WeakPolarHBondContact O-CG 3.09Å; P47-Q51 PolarHBondContact O-N 3.27Å; P47-Q51 VanDerWaalsContact O-N 3.16Å; F48-Q51 PolarHBondContact O-N 3.12Å; S49-Q51 VanDerWaalsContact C-N 3.3Å; Q51-I53 HydrophobicContact CB-CD1 4.44Å; Q51-I53 HydrophobicContact CB-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.2Å
52N87.4Confident93.8Very high154 Ų15491.2 Ų91.282%0.82448%0.477SS*.THydrogen-bonded Turntrans59.224-175.8-59.3-57.4000114.4K50 H54K50-N52 VanDerWaalsContact C-N 3.26Å; K50-N52 PolarHBondContact O-N 3.36Å; N52-H54 PolarHBondContact O-N 2.96Å
53I93.8Very high94Very high62 Ų6291.2 Ų91.232%0.31847%0.474SS..  trans-73121.2170.2-59.7175.9000107.8F48 Q51 H57 I58F48-I53 HydrophobicContact CB-CD1 4.03Å; F48-I53 HydrophobicContact CD1-CD1 4.2Å; F48-I53 HydrophobicContact CG-CD1 4.49Å; F48-I53 WeakPolarHBondContact O-CB 3.4Å; F48-I53 PolarHBondContact O-N 3.48Å; Q51-I53 HydrophobicContact CB-CD1 4.44Å; Q51-I53 HydrophobicContact CB-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.2Å; I53-H57 HydrophobicContact CG2-CB 3.92Å; I53-I58 HydrophobicContact CB-CD1 4.5Å; I53-I58 HydrophobicContact CB-CG1 4.35Å; I53-I58 HydrophobicContact CG2-CD1 4.41Å; I53-I58 HydrophobicContact CG2-CG1 3.77Å
54H94.9Very high94.1Very high116 Ų11689.4 Ų89.454%0.53747%0.471SS..  trans-60134.4180-173-91.1000110.5N52 V56 H57N52-H54 PolarHBondContact O-N 2.96Å; H54-V56 VanDerWaalsContact CE1-CG2 3.43Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.41Å; H54-V56 WeakPolarHBondContact ND1-CB 3.42Å; H54-V56 PolarHBondContact ND1-N 3.46Å; H54-V56 PolarHBondContact O-N 3.25Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-N 3.4Å
55P94Very high94.1Very high73 Ų7392 Ų9247%0.47447%0.473SS..Hα-helixtrans-53.4-33.1-173.4-30.135.4000114.9H57 I58 I59P55-H57 VanDerWaalsContact C-N 3.26Å; P55-H57 PolarHBondContact O-N 3.09Å; P55-I58 WeakPolarHBondContact O-CB 3.41Å; P55-I58 PolarHBondContact O-N 3.32Å; P55-I58 VanDerWaalsContact O-N 3.15Å; P55-I59 WeakPolarHBondContact O-CG1 3.3Å; P55-I59 PolarHBondContact O-N 3.44Å
56V96.6Very high94.2Very high62 Ų6296.5 Ų96.538%0.37650%0.495SS..Hα-helixtrans-60.1-34.8176.1174.70000112.3H54 R60H54-V56 VanDerWaalsContact CE1-CG2 3.43Å; H54-V56 WeakPolarHBondContact CE1-CG2 3.41Å; H54-V56 WeakPolarHBondContact ND1-CB 3.42Å; H54-V56 PolarHBondContact ND1-N 3.46Å; H54-V56 PolarHBondContact O-N 3.25Å; V56-R60 WeakPolarHBondContact O-CB 3.36Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 2.89Å
57H96.1Very high94.5Very high111 Ų11195.1 Ų95.151%0.51450%0.497SS..Hα-helixtrans-70.8-39.3175.7-70.4-67.9000111.7I53 H54 P55 R60 A61I53-H57 HydrophobicContact CG2-CB 3.92Å; H54-H57 WeakPolarHBondContact O-CB 3.43Å; H54-H57 PolarHBondContact O-N 3.4Å; P55-H57 VanDerWaalsContact C-N 3.26Å; P55-H57 PolarHBondContact O-N 3.09Å; H57-R60 PolarHBondContact O-N 3.05Å; H57-A61 WeakPolarHBondContact O-CB 3.49Å; H57-A61 PolarHBondContact O-N 3.02Å
58I96Very high94.6Very high22 Ų2297 Ų9711%0.11350%0.504CS..Hα-helixtrans-61.3-48.4175.7-56.6174.3000109.7T45 F48 I53 P55 R60 A61 L62T45-I58 HydrophobicContact CG2-CG2 3.89Å; F48-I58 HydrophobicContact CB-CD1 3.74Å; F48-I58 HydrophobicContact CB-CG1 4.12Å; I53-I58 HydrophobicContact CB-CD1 4.5Å; I53-I58 HydrophobicContact CB-CG1 4.35Å; I53-I58 HydrophobicContact CG2-CD1 4.41Å; I53-I58 HydrophobicContact CG2-CG1 3.77Å; P55-I58 WeakPolarHBondContact O-CB 3.41Å; P55-I58 PolarHBondContact O-N 3.32Å; P55-I58 VanDerWaalsContact O-N 3.15Å; I58-R60 PolarHBondContact O-N 3.32Å; I58-A61 PolarHBondContact O-N 3.09Å; I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.88Å
59I95.8Very high94.7Very high92 Ų9296 Ų9647%0.47251%0.505SS..Hα-helixtrans-61-45.1179.5-66.4164.3000111P55 A61 L62 Q63P55-I59 WeakPolarHBondContact O-CG1 3.3Å; P55-I59 PolarHBondContact O-N 3.44Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.89Å; I59-L62 PolarHBondContact O-N 2.71Å; I59-Q63 HydrophobicContact CG2-CG 4.46Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.47Å
60R97.4Very high95.3Very high152 Ų15295.9 Ų95.957%0.57450%0.501SS*.Hα-helixtrans-62-40.1177.3-76.8174.4175.8168.4-0.9112.4V56 H57 I58 Q63 A64V56-R60 WeakPolarHBondContact O-CB 3.36Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.49Å; V56-R60 PolarHBondContact O-N 2.89Å; H57-R60 PolarHBondContact O-N 3.05Å; I58-R60 PolarHBondContact O-N 3.32Å; R60-Q63 PolarHBondContact O-N 3.07Å; R60-A64 PolarHBondContact O-N 3.39Å
61A96.4Very high95.6Very high60 Ų6090.1 Ų90.150%0.49649%0.486SS..Hα-helixtrans-64.2-45.1176.100000111.4H57 I58 I59 Q63 A64 E65H57-A61 WeakPolarHBondContact O-CB 3.49Å; H57-A61 PolarHBondContact O-N 3.02Å; I58-A61 PolarHBondContact O-N 3.09Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.89Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 3.07Å; A61-A64 PolarHBondContact O-N 2.97Å; A61-E65 WeakPolarHBondContact O-CB 3.31Å; A61-E65 PolarHBondContact O-N 3.39Å
62L96.9Very high95.7Very high73 Ų7389.7 Ų89.738%0.38248%0.484SS..Hα-helixtrans-61.6-37.5175.4-68.1173.4000112.5I41 T45 I58 I59 L66I41-L62 HydrophobicContact CG2-CD1 4.39Å; I41-L62 HydrophobicContact CG2-CD2 3.93Å; T45-L62 HydrophobicContact CG2-CD1 3.89Å; T45-L62 HydrophobicContact CG2-CD2 4.26Å; T45-L62 HydrophobicContact CG2-CG 4.49Å; I58-L62 HydrophobicContact CG2-CD1 4.24Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.88Å; I59-L62 PolarHBondContact O-N 2.71Å; L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 PolarHBondContact O-N 2.94Å
63Q97.2Very high96.1Very high117 Ų11785.4 Ų85.455%0.54747%0.466SS..Hα-helixtrans-68.1-41.6176.7-74.1174.9-35.300112.5I59 R60 A61 T67I59-Q63 HydrophobicContact CG2-CG 4.46Å; I59-Q63 VanDerWaalsContact O-CG 3.31Å; I59-Q63 WeakPolarHBondContact O-CG 3.43Å; I59-Q63 PolarHBondContact O-N 3.47Å; R60-Q63 PolarHBondContact O-N 3.07Å; A61-Q63 VanDerWaalsContact C-N 3.31Å; A61-Q63 PolarHBondContact O-N 3.07Å; Q63-T67 PolarHBondContact O-N 3.13Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.28Å
64A97.2Very high96Very high53 Ų5387 Ų8744%0.43848%0.475SS..Hα-helixtrans-63.7-49.9175.100000110.6R60 A61 L66 T67 D68R60-A64 PolarHBondContact O-N 3.39Å; A61-A64 PolarHBondContact O-N 2.97Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.21Å; A64-T67 WeakPolarHBondContact O-CA 3.4Å; A64-T67 WeakPolarHBondContact O-CB 3.08Å; A64-T67 PolarHBondContact O-N 3.12Å; A64-D68 PolarHBondContact O-N 2.78Å
65E96.5Very high95.9Very high119 Ų11987.1 Ų87.156%0.55648%0.479SS*.Hα-helixtrans-58.5-43.6177.8-172.565-15900111.8A61 T67 D68 V69A61-E65 WeakPolarHBondContact O-CB 3.31Å; A61-E65 PolarHBondContact O-N 3.39Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.48Å; E65-D68 PolarHBondContact O-N 2.76Å; E65-V69 HydrophobicContact CG-CG2 4.41Å; E65-V69 VanDerWaalsContact O-CG2 3.31Å; E65-V69 WeakPolarHBondContact O-CG2 3.22Å; E65-V69 PolarHBondContact O-N 2.9Å
66L96.2Very high95.8Very high111 Ų11190.1 Ų90.158%0.58149%0.485SS*.Hα-helixtrans-60.2-38.2176.3179.462000111.8L62 A64 V70L62-L66 VanDerWaalsContact O-CB 3.24Å; L62-L66 WeakPolarHBondContact O-CB 3.4Å; L62-L66 PolarHBondContact O-N 2.94Å; A64-L66 VanDerWaalsContact C-N 3.33Å; A64-L66 PolarHBondContact O-N 3.21Å; L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CB 3.02Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.91Å
67T97.2Very high95.3Very high92 Ų9293.2 Ų93.256%0.56450%0.497SS*.Hα-helixtrans-64.9-43177.4-55.60000110.8Q63 A64 E65 V70 A71Q63-T67 PolarHBondContact O-N 3.13Å; Q63-T67 VanDerWaalsContact O-N 3.14Å; Q63-T67 PolarHBondContact O-OG1 3.28Å; A64-T67 WeakPolarHBondContact O-CA 3.4Å; A64-T67 WeakPolarHBondContact O-CB 3.08Å; A64-T67 PolarHBondContact O-N 3.12Å; E65-T67 VanDerWaalsContact C-N 3.26Å; E65-T67 PolarHBondContact O-N 3.48Å; T67-V70 PolarHBondContact O-N 3.01Å; T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.1Å
68D97Very high94.6Very high103 Ų10391.2 Ų91.255%0.55151%0.506SS*.Hα-helixtrans-67.4-42.5178.8-68.7-16.8000111.7A64 E65 A71 H72A64-D68 PolarHBondContact O-N 2.78Å; E65-D68 PolarHBondContact O-N 2.76Å; D68-A71 PolarHBondContact O-N 2.96Å; D68-H72 WeakPolarHBondContact O-CB 3.41Å; D68-H72 PolarHBondContact O-N 2.91Å
69V95.6Very high94.1Very high68 Ų6895.8 Ų95.841%0.41254%0.54SS..Hα-helixtrans-61.6-45.4175170.70000110.9E65 A71 H72 C73E65-V69 HydrophobicContact CG-CG2 4.41Å; E65-V69 VanDerWaalsContact O-CG2 3.31Å; E65-V69 WeakPolarHBondContact O-CG2 3.22Å; E65-V69 PolarHBondContact O-N 2.9Å; V69-A71 PolarHBondContact O-N 3.39Å; V69-H72 WeakPolarHBondContact O-CB 3.47Å; V69-H72 PolarHBondContact O-N 3.48Å; V69-C73 PolarHBondContact O-N 3.27Å; V69-C73 PolarHBondContact O-SG 3.39Å
70V96Very high93.6Very high73 Ų7395.3 Ų95.344%0.44254%0.537SS..Hα-helixtrans-63.4-42.4177.6169.10000111.1L66 T67 H72 C73 N74L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CB 3.02Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 2.91Å; T67-V70 PolarHBondContact O-N 3.01Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 3.44Å; V70-C73 PolarHBondContact O-N 3.5Å; V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 2.91Å; V70-N74 PolarHBondContact O-ND2 3.24Å; V70-N74 VanDerWaalsContact O-ND2 3.1Å
71A96.1Very high93.1Very high57 Ų5791.8 Ų91.847%0.47153%0.53SS..Hα-helixtrans-61.6-42.5174.900000111.6T67 D68 V69 N74 D75T67-A71 WeakPolarHBondContact O-CB 3.39Å; T67-A71 PolarHBondContact O-N 3.1Å; D68-A71 PolarHBondContact O-N 2.96Å; V69-A71 PolarHBondContact O-N 3.39Å; A71-N74 PolarHBondContact O-N 3.03Å; A71-D75 PolarHBondContact O-N 3.23Å
72H95.9Very high92.8Very high113 Ų11395.2 Ų95.252%0.52354%0.539SS..Hα-helixtrans-62.7-45.3176.1-17279.5000112.1D68 V69 V70 N74 D75 K76D68-H72 WeakPolarHBondContact O-CB 3.41Å; D68-H72 PolarHBondContact O-N 2.91Å; V69-H72 WeakPolarHBondContact O-CB 3.47Å; V69-H72 PolarHBondContact O-N 3.48Å; V70-H72 VanDerWaalsContact C-N 3.33Å; V70-H72 PolarHBondContact O-N 3.44Å; H72-N74 VanDerWaalsContact C-N 3.34Å; H72-N74 PolarHBondContact O-N 3.1Å; H72-D75 PolarHBondContact O-N 3.42Å; H72-K76 WeakPolarHBondContact O-CG 3.5Å; H72-K76 PolarHBondContact O-N 3.5Å; H72-K76 VanDerWaalsContact O-N 3.08Å
73C94.9Very high92.6Very high65 Ų6598.3 Ų98.344%0.43956%0.556SS.*Hα-helixtrans-58.5-46.6174.9-69.90000110.9V69 V70 D75 K76 M77V69-C73 PolarHBondContact O-N 3.27Å; V69-C73 PolarHBondContact O-SG 3.39Å; V70-C73 PolarHBondContact O-N 3.5Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.25Å; C73-K76 PolarHBondContact O-N 3.21Å; C73-K76 VanDerWaalsContact O-N 3.12Å; C73-M77 VanDerWaalsContact O-CG 3.3Å; C73-M77 WeakPolarHBondContact O-CG 3.48Å; C73-M77 PolarHBondContact O-N 3.11Å
74N93.1Very high92.4Very high95 Ų9595.2 Ų95.251%0.50854%0.543SS..Hα-helixtrans-61-37.2178.3-72-36.5000113.4V70 A71 H72 K76 M77V70-N74 VanDerWaalsContact O-CG 3.29Å; V70-N74 PolarHBondContact O-N 2.91Å; V70-N74 PolarHBondContact O-ND2 3.24Å; V70-N74 VanDerWaalsContact O-ND2 3.1Å; A71-N74 PolarHBondContact O-N 3.03Å; H72-N74 VanDerWaalsContact C-N 3.34Å; H72-N74 PolarHBondContact O-N 3.1Å; N74-K76 VanDerWaalsContact C-N 3.35Å; N74-M77 HydrophobicContact CB-CE 4.36Å; N74-M77 WeakPolarHBondContact OD1-CE 3.32Å
75D92.8Very high92.2Very high119 Ų11999.7 Ų99.764%0.63656%0.555SS**Hα-helixtrans-67.8-34.4174.918067.5000112.5A71 H72 C73A71-D75 PolarHBondContact O-N 3.23Å; H72-D75 PolarHBondContact O-N 3.42Å; C73-D75 VanDerWaalsContact C-N 3.33Å; C73-D75 PolarHBondContact O-N 3.25Å
76K90.8Very high91.9Very high136 Ų136101 Ų10159%0.59156%0.561SS**Hα-helixtrans-86.2-17.1-179.1-62.7-56.9177.3-150.70114.3H72 C73 N74 G78H72-K76 WeakPolarHBondContact O-CG 3.5Å; H72-K76 PolarHBondContact O-N 3.5Å; H72-K76 VanDerWaalsContact O-N 3.08Å; C73-K76 PolarHBondContact O-N 3.21Å; C73-K76 VanDerWaalsContact O-N 3.12Å; N74-K76 VanDerWaalsContact C-N 3.35Å; K76-G78 PolarHBondContact O-N 3.15Å; K76-G78 VanDerWaalsContact O-N 3.13Å
77M87Confident91.6Very high127 Ų127100.8 Ų100.863%0.62656%0.555SS**  trans-66.8111.5176.9-78.5-165-63.800110.3C73 N74C73-M77 VanDerWaalsContact O-CG 3.3Å; C73-M77 WeakPolarHBondContact O-CG 3.48Å; C73-M77 PolarHBondContact O-N 3.11Å; N74-M77 HydrophobicContact CB-CE 4.36Å; N74-M77 WeakPolarHBondContact OD1-CE 3.32Å
78G81.3Confident91.3Very high68 Ų6899.5 Ų99.570%0.70155%0.545SS*.PPolyproline II helixtrans-69.6140.5172.500000111.5K76K76-G78 PolarHBondContact O-N 3.15Å; K76-G78 VanDerWaalsContact O-N 3.13Å
79S84.4Confident91.1Very high118 Ų11898.6 Ų98.683%0.82554%0.539SS*.PPolyproline II helixtrans-75.8135.1167.2-174.60000109.9
80I85.4Confident90.9Very high82 Ų82100.2 Ų100.242%0.42155%0.546SS..PPolyproline II helixtrans-102.7125174.5-53.6-176.9000107.8I82 L88 V91I80-I82 PolarHBondContact O-N 2.87Å; I80-L88 HydrophobicContact CG2-CD2 4.08Å; I80-V91 HydrophobicContact CD1-CG2 3.56Å
81D87.7Confident90.6Very high78 Ų7899.5 Ų99.542%0.41754%0.541SS..  trans-78.6114.9173.5179.59.3000109.3N83 N84D81-N83 PolarHBondContact O-N 3.03Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.08Å; D81-N83 PolarHBondContact OD1-ND2 2.97Å; D81-N84 HydrophobicContact CB-CB 4.16Å; D81-N84 PolarHBondContact O-N 3.19Å; D81-N84 VanDerWaalsContact O-N 3.08Å
82I90.4Very high90.3Very high132 Ų132100.1 Ų100.168%0.67754%0.539SS*.THydrogen-bonded Turntrans-68.4-10.2-179.762.8171.5000113.6I80 L88I80-I82 PolarHBondContact O-N 2.87Å; I82-L88 WeakPolarHBondContact O-CD1 3.32Å
83N92.7Very high90.2Very high139 Ų139100 Ų10074%0.74354%0.538SS*.THydrogen-bonded Turntrans-93.6-5.2174.9-52.6-73.7000112.3D81D81-N83 PolarHBondContact O-N 3.03Å; D81-N83 WeakPolarHBondContact OD1-CB 3.48Å; D81-N83 PolarHBondContact OD1-N 3.08Å; D81-N83 PolarHBondContact OD1-ND2 2.97Å
84N92.1Very high90Very high51 Ų51100.6 Ų100.627%0.27354%0.544SS..  trans-95.893.9176.8-172.1-37.4000109.7D81 E86 K87 L88D81-N84 HydrophobicContact CB-CB 4.16Å; D81-N84 PolarHBondContact O-N 3.19Å; D81-N84 VanDerWaalsContact O-N 3.08Å; N84-E86 VanDerWaalsContact C-N 3.3Å; N84-E86 PolarHBondContact O-N 3.33Å; N84-E86 PolarHBondContact OD1-N 3.23Å; N84-K87 HydrophobicContact CB-CB 4.19Å; N84-K87 HydrophobicContact CB-CD 4.41Å; N84-K87 HydrophobicContact CB-CG 4.4Å; N84-K87 PolarHBondContact O-N 2.88Å; N84-K87 PolarHBondContact OD1-N 3.18Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3.29Å
85E92.2Very high89.7Confident148 Ų148100.9 Ų100.969%0.69255%0.552SS**Hα-helixtrans-57.3-40.8-178.9-174.3176.6175.700112.6K87 L88 L89E85-K87 PolarHBondContact O-N 3.05Å; E85-L88 PolarHBondContact O-N 3.37Å; E85-L89 HydrophobicContact CG-CD1 4.35Å; E85-L89 WeakPolarHBondContact O-CG 3.38Å; E85-L89 PolarHBondContact O-N 3.11Å
86E91.9Very high89.3Confident146 Ų146101.8 Ų101.868%0.68255%0.554SS**Hα-helixtrans-59.5-48.4178.7-173179.3-167.600111.1N84 L88 L89 D90N84-E86 VanDerWaalsContact C-N 3.3Å; N84-E86 PolarHBondContact O-N 3.33Å; N84-E86 PolarHBondContact OD1-N 3.23Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.02Å; E86-L89 WeakPolarHBondContact O-CB 3.5Å; E86-L89 PolarHBondContact O-N 3.29Å; E86-D90 PolarHBondContact O-N 3.42Å; E86-D90 VanDerWaalsContact O-N 3.08Å
87K88.9Confident87.9Confident106 Ų106105 Ų10546%0.46158%0.578SS.*Hα-helixtrans-65.3-34.5176-74.2-171.6175.9-1740113.2N84 E85 D90 V91N84-K87 HydrophobicContact CB-CB 4.19Å; N84-K87 HydrophobicContact CB-CD 4.41Å; N84-K87 HydrophobicContact CB-CG 4.4Å; N84-K87 PolarHBondContact O-N 2.88Å; N84-K87 PolarHBondContact OD1-N 3.18Å; E85-K87 PolarHBondContact O-N 3.05Å; K87-D90 PolarHBondContact O-N 3.48Å; K87-V91 WeakPolarHBondContact O-CG2 3.48Å; K87-V91 PolarHBondContact O-N 3.48Å
88L92Very high88Confident66 Ų66104 Ų10435%0.34658%0.575SS.*Hα-helixtrans-68.5-37.2175.6-72.5177.6000111.5I80 I82 N84 E85 E86 V91 V92I80-L88 HydrophobicContact CG2-CD2 4.08Å; I82-L88 WeakPolarHBondContact O-CD1 3.32Å; N84-L88 WeakPolarHBondContact O-CG 3.38Å; N84-L88 PolarHBondContact O-N 3.29Å; E85-L88 PolarHBondContact O-N 3.37Å; E86-L88 VanDerWaalsContact C-N 3.33Å; E86-L88 PolarHBondContact O-N 3.02Å; L88-V91 PolarHBondContact O-N 3.36Å; L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.11Å
89L92.3Very high88.3Confident84 Ų84105.8 Ų105.844%0.4457%0.569SS.*Hα-helixtrans-62.8-42.3173.6-73.6170.9000111.4E85 E86 V91 V92 H93E85-L89 HydrophobicContact CG-CD1 4.35Å; E85-L89 WeakPolarHBondContact O-CG 3.38Å; E85-L89 PolarHBondContact O-N 3.11Å; E86-L89 WeakPolarHBondContact O-CB 3.5Å; E86-L89 PolarHBondContact O-N 3.29Å; L89-V91 VanDerWaalsContact C-N 3.28Å; L89-V91 PolarHBondContact O-N 3.1Å; L89-V92 PolarHBondContact O-N 2.64Å; L89-V92 VanDerWaalsContact O-N 3.11Å; L89-H93 WeakPolarHBondContact O-CB 3.4Å; L89-H93 PolarHBondContact O-CD2 3.34Å; L89-H93 PolarHBondContact O-N 3.26Å
90D90.7Very high88.5Confident102 Ų102105.2 Ų105.255%0.54555%0.554SS.*Hα-helixtrans-56.5-42.8174.7-71-20.5000111.9E86 K87 H93 S94E86-D90 PolarHBondContact O-N 3.42Å; E86-D90 VanDerWaalsContact O-N 3.08Å; K87-D90 PolarHBondContact O-N 3.48Å; D90-H93 PolarHBondContact O-N 3.43Å; D90-S94 PolarHBondContact O-N 3.01Å
91V90.1Very high88.7Confident57 Ų57106.5 Ų106.535%0.34556%0.562SS.*Hα-helixtrans-63.9-44176176.60000111.1I80 K87 L88 L89 S94 C95I80-V91 HydrophobicContact CD1-CG2 3.56Å; K87-V91 WeakPolarHBondContact O-CG2 3.48Å; K87-V91 PolarHBondContact O-N 3.48Å; L88-V91 PolarHBondContact O-N 3.36Å; L89-V91 VanDerWaalsContact C-N 3.28Å; L89-V91 PolarHBondContact O-N 3.1Å; V91-S94 PolarHBondContact O-N 3.29Å; V91-S94 PolarHBondContact O-OG 3.09Å; V91-C95 PolarHBondContact O-N 2.83Å; V91-C95 PolarHBondContact O-SG 3.43Å; V91-C95 VanDerWaalsContact O-SG 3.33Å
92V90.7Very high88.8Confident70 Ų70108.3 Ų108.342%0.42457%0.571SS.*Hα-helixtrans-63.3-44178172.90000110.9L88 L89 S94 C95 M96L88-V92 WeakPolarHBondContact O-CG2 3.49Å; L88-V92 PolarHBondContact O-N 3.11Å; L89-V92 PolarHBondContact O-N 2.64Å; L89-V92 VanDerWaalsContact O-N 3.11Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.08Å; V92-C95 PolarHBondContact O-N 3.04Å; V92-C95 VanDerWaalsContact O-N 3.11Å; V92-M96 HydrophobicContact CG1-CE 3.53Å; V92-M96 HydrophobicContact CG1-SD 4.21Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.28Å
93H92.9Very high88.7Confident110 Ų110106.7 Ų106.751%0.50956%0.564SS.*Hα-helixtrans-59.7-41.7175.4-76.8-59.4000111.7L89 D90 C95 M96L89-H93 WeakPolarHBondContact O-CB 3.4Å; L89-H93 PolarHBondContact O-CD2 3.34Å; L89-H93 PolarHBondContact O-N 3.26Å; D90-H93 PolarHBondContact O-N 3.43Å; H93-C95 PolarHBondContact O-N 3.42Å; H93-C95 VanDerWaalsContact O-N 3.1Å; H93-M96 PolarHBondContact O-N 2.96Å
94S90.6Very high88.4Confident79 Ų79104.4 Ų104.455%0.55255%0.551SS**Hα-helixtrans-62.3-19.1176.977.40000114.6D90 V91 V92D90-S94 PolarHBondContact O-N 3.01Å; V91-S94 PolarHBondContact O-N 3.29Å; V91-S94 PolarHBondContact O-OG 3.09Å; V92-S94 VanDerWaalsContact C-N 3.32Å; V92-S94 PolarHBondContact O-N 3.08Å
95C87Confident88.1Confident100 Ų100108.5 Ų108.568%0.67657%0.573SS**THydrogen-bonded Turntrans-95.8-6178.5-63.60000113.3V91 V92 H93V91-C95 PolarHBondContact O-N 2.83Å; V91-C95 PolarHBondContact O-SG 3.43Å; V91-C95 VanDerWaalsContact O-SG 3.33Å; V92-C95 PolarHBondContact O-N 3.04Å; V92-C95 VanDerWaalsContact O-N 3.11Å; H93-C95 PolarHBondContact O-N 3.42Å; H93-C95 VanDerWaalsContact O-N 3.1Å
96M84.8Confident87.8Confident139 Ų139105.3 Ų105.369%0.68556%0.563SS**THydrogen-bonded Turntrans-103-14.2-177.4-71-176.2177.200113.6V92 H93V92-M96 HydrophobicContact CG1-CE 3.53Å; V92-M96 HydrophobicContact CG1-SD 4.21Å; V92-M96 WeakPolarHBondContact O-CG 3.47Å; V92-M96 PolarHBondContact O-N 3.28Å; H93-M96 PolarHBondContact O-N 2.96Å
97D61.5Low87.4Confident204 Ų204101.5 Ų101.5100%1.09155%0.552SS**  trans-86.10171.4-65.6-31.6000111.6

Retrieved 97 of 97 residues in 95.7 ms (Link to these results)