A0A087X725_POEFO Loading...

FERM domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X725, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 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
1R36.3Very low38.5Very low289 Ų289155 Ų155100%1.09185%0.849SS**  093.60-77.3177.1174.7162.8-3107.2
2T41Very low38.9Very low135 Ų135151.5 Ų151.583%0.82884%0.84SS**  75.595.4100.852.40000113.5
3R34.1Very low39.3Very low249 Ų249158.8 Ų158.894%0.9485%0.847SS**  trans-134.2111.1158.4-152.4173.7-168.8175.73.4107.7L5R3-L5 PolarHBondContact O-N 3.26Å
4T41Very low39.6Very low139 Ų139156.7 Ų156.785%0.85384%0.842SS**  trans-75.2120.8-167.1-46.10000111G6T4-G6 PolarHBondContact O-N 3.44Å
5L40.1Very low40.6Very low172 Ų172152.5 Ų152.590%0.90183%0.829SS**  trans-75.7106.6168.7-85.2164.4000109.2R3 G7R3-L5 PolarHBondContact O-N 3.26Å; L5-G7 PolarHBondContact O-N 3.25Å
6G33.6Very low41.5Very low70 Ų70155.1 Ų155.172%0.72283%0.83SS**  trans-65.911517400000110.8T4 L8T4-G6 PolarHBondContact O-N 3.44Å; G6-L8 PolarHBondContact O-N 3.09Å; G6-L8 VanDerWaalsContact O-N 3.09Å
7G35Very low42.6Very low76 Ų76153.5 Ų153.578%0.78482%0.817SS**  trans-67.4105.6179.200000111.9L5 A9L5-G7 PolarHBondContact O-N 3.25Å; G7-A9 PolarHBondContact O-N 2.85Å
8L38.4Very low44.8Very low166 Ų166149.2 Ų149.287%0.86980%0.797SS**  trans-6982166.4-103.2156.5000109.3G6 T10G6-L8 PolarHBondContact O-N 3.09Å; G6-L8 VanDerWaalsContact O-N 3.09Å; L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.87Å
9A40.7Very low47Very low88 Ų88147.9 Ų147.973%0.72778%0.784SS**  trans-64.493.6173.300000109.6G7 K11G7-A9 PolarHBondContact O-N 2.85Å; A9-K11 VanDerWaalsContact C-N 3.25Å; A9-K11 PolarHBondContact O-N 2.8Å
10T41.5Very low49.1Very low130 Ų130141.1 Ų141.180%0.79875%0.748SS**  trans-63.586.5170.5460000109.4L8 P12L8-T10 VanDerWaalsContact C-N 3.34Å; L8-T10 PolarHBondContact O-N 2.87Å; T10-P12 WeakPolarHBondContact O-CD 3.48Å; T10-P12 VanDerWaalsContact O-N 3.14Å
11K42Very low51.2Low191 Ų191142.2 Ų142.283%0.8374%0.742SS**  trans-50.8121168.7-70.7-175.2177.4-177.30107.5A9 R13A9-K11 VanDerWaalsContact C-N 3.25Å; A9-K11 PolarHBondContact O-N 2.8Å; K11-R13 PolarHBondContact O-N 3.19Å
12P43.3Very low54Low113 Ų113128.4 Ų128.473%0.73469%0.69SS**  trans-58.7128.5173.124.7-32.4000107.5T10 V14T10-P12 WeakPolarHBondContact O-CD 3.48Å; T10-P12 VanDerWaalsContact O-N 3.14Å; P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.86Å
13R43.5Very low56.7Low247 Ų247125.9 Ų125.993%0.93267%0.665SS**  trans-64.597.7166.5-94.6-178166.6168.5-3.9106.5K11 S15K11-R13 PolarHBondContact O-N 3.19Å; R13-S15 PolarHBondContact O-N 2.84Å
14V43.5Very low59.7Low129 Ų129114 Ų11478%0.78262%0.62SS**  trans-60.596.4164.2-179.50000106P12 K16P12-V14 VanDerWaalsContact C-N 3.27Å; P12-V14 PolarHBondContact O-N 2.86Å; V14-K16 PolarHBondContact O-N 3.17Å; V14-K16 VanDerWaalsContact O-N 3.17Å
15S55Low62.4Low93 Ų93109 Ų10965%0.6559%0.588SS**  trans-58.5118170.343.90000107R13 E17R13-S15 PolarHBondContact O-N 2.84Å; S15-E17 PolarHBondContact O-N 2.99Å
16K55.8Low65.2Low194 Ų194101 Ų10184%0.84355%0.546SS*.  trans-55.2108.8174.8-77.3-170.8174.4-1740108.1V14 T18V14-K16 PolarHBondContact O-N 3.17Å; V14-K16 VanDerWaalsContact O-N 3.17Å; K16-T18 PolarHBondContact O-N 2.99Å; K16-T18 PolarHBondContact O-OG1 2.88Å
17E60.1Low68.2Low128 Ų12897.8 Ų97.860%0.59851%0.512SS*.  trans-69.297.7-167.3-169.1146.3-105.600109.3S15 K19 E37S15-E17 PolarHBondContact O-N 2.99Å; E17-K19 PolarHBondContact O-N 2.88Å; E17-E37 HydrophobicContact CG-CG 3.96Å
18T80.8Confident71Confident77 Ų7794.8 Ų94.847%0.47248%0.478SS..  trans-81.294.7-168.1-60.50000108.1K16 Q38K16-T18 PolarHBondContact O-N 2.99Å; K16-T18 PolarHBondContact O-OG1 2.88Å; T18-Q38 WeakPolarHBondContact O-CB 3.43Å; T18-Q38 WeakPolarHBondContact O-CG 3Å; T18-Q38 PolarHBondContact O-N 2.92Å
19K87.4Confident73.7Confident124 Ų12491.7 Ų91.754%0.53946%0.462SS..EExtended strand (participates in β ladder)trans-70.9141.7178-54.3-168.3-169-176.10111E17 E35 V36E17-K19 PolarHBondContact O-N 2.88Å; K19-E35 HydrophobicContact CB-CG 4.04Å; K19-E35 HydrophobicContact CD-CG 3.72Å; K19-E35 WeakPolarHBondContact CD-OE1 3.43Å; K19-E35 WeakPolarHBondContact CE-OE1 3.46Å; K19-E35 IonicContact NZ-OE1 2.71Å; K19-E35 PolarHBondContact NZ-OE1 3.42Å; K19-V36 CarbonylContact C-O 3.48Å; K19-V36 VanDerWaalsContact CA-O 3.23Å; K19-V36 WeakPolarHBondContact CA-O 3.18Å
20L89.7Confident76.3Confident12 Ų1288 Ų886%0.06343%0.431CS..EExtended strand (participates in β ladder)trans-101.4141.3173-57.2178.1000109.2L22 E35 V36 Q38 I85 Y87L20-L22 HydrophobicContact CB-CD2 4.05Å; L20-L22 HydrophobicContact CB-CG 4.11Å; L20-L22 HydrophobicContact CD1-CD2 4.49Å; L20-E35 WeakPolarHBondContact O-CA 3.39Å; L20-V36 HydrophobicContact CB-CG2 4.31Å; L20-V36 PolarHBondContact N-O 3.15Å; L20-V36 PolarHBondContact O-N 2.97Å; L20-Q38 HydrophobicContact CD1-CG 4.04Å; L20-Q38 HydrophobicContact CD2-CG 3.83Å; L20-Q38 HydrophobicContact CG-CG 3.88Å; L20-I85 HydrophobicContact CD1-CD1 4.23Å; L20-Y87 HydrophobicContact CB-CE2 4.28Å; L20-Y87 HydrophobicContact CD2-CD2 3.94Å; L20-Y87 HydrophobicContact CD2-CE2 4.18Å; L20-Y87 HydrophobicContact CD2-CG 4.29Å
21R92.6Very high78.8Confident164 Ų16486.3 Ų86.362%0.61941%0.414SS*.EExtended strand (participates in β ladder)trans-103.2109.2168.4-68-178.769.5-161.40.6107.8T33 F34 Y87R21-T33 HydrophobicContact CB-CG2 3.84Å; R21-F34 WeakPolarHBondContact CA-O 3.22Å; R21-Y87 PolarHBondContact O-OH 2.9Å
22L95.1Very high81.4Confident0 Ų081.7 Ų81.70%039%0.392CS..EExtended strand (participates in β ladder)trans-111.4123.1-173.1-58.4178.4000110L20 T33 F34 V36 F45 L81 I85 Y87 L91 F93L20-L22 HydrophobicContact CB-CD2 4.05Å; L20-L22 HydrophobicContact CB-CG 4.11Å; L20-L22 HydrophobicContact CD1-CD2 4.49Å; L22-T33 WeakPolarHBondContact O-CA 3.31Å; L22-F34 PolarHBondContact N-O 2.99Å; L22-F34 PolarHBondContact O-N 2.93Å; L22-V36 HydrophobicContact CD1-CG2 3.58Å; L22-V36 HydrophobicContact CG-CG2 4.18Å; L22-F45 HydrophobicContact CB-CE2 4.2Å; L22-F45 HydrophobicContact CB-CZ 3.91Å; L22-F45 HydrophobicContact CD1-CD1 4.31Å; L22-F45 HydrophobicContact CD1-CD2 4.38Å; L22-F45 HydrophobicContact CD1-CE1 4.02Å; L22-F45 HydrophobicContact CD1-CE2 4.1Å; L22-F45 HydrophobicContact CD1-CG 4.5Å; L22-F45 HydrophobicContact CD1-CZ 3.91Å; L22-L81 HydrophobicContact CD1-CD1 3.42Å; L22-L81 VanDerWaalsContact CD1-CD1 3.42Å; L22-I85 HydrophobicContact CD2-CD1 3.87Å; L22-Y87 HydrophobicContact CD2-CD2 4.09Å; L22-Y87 HydrophobicContact CD2-CE2 3.97Å; L22-L91 HydrophobicContact CD2-CD2 4.34Å; L22-F93 HydrophobicContact CB-CE2 4.18Å; L22-F93 HydrophobicContact CD1-CE2 4.11Å; L22-F93 HydrophobicContact CD2-CE2 4.29Å; L22-F93 HydrophobicContact CG-CE2 4.43Å
23R96.9Very high84Confident82 Ų8279.6 Ų79.631%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-85.6135.3177.7-171.1169.665.31511.9111E31 F92 F93R23-E31 WeakPolarHBondContact CD-OE2 3.29Å; R23-E31 IonicContact CZ-OE1 2.68Å; R23-E31 VanDerWaalsContact CZ-OE1 3.26Å; R23-E31 IonicContact CZ-OE2 3.57Å; R23-E31 IonicContact NE-OE1 3.45Å; R23-E31 IonicContact NE-OE2 3.9Å; R23-E31 IonicContact NH1-OE1 3.02Å; R23-E31 PolarHBondContact NH1-OE1 2.88Å; R23-E31 IonicContact NH1-OE2 3.82Å; R23-E31 PolarHBondContact NH1-OE2 3.34Å; R23-E31 IonicContact NH2-OE1 2.76Å; R23-F92 HydrophobicContact CB-CB 4.26Å; R23-F92 HydrophobicContact CG-CB 4.49Å; R23-F92 CarbonylContact O-C 3.54Å; R23-F92 WeakPolarHBondContact O-CA 3.23Å; R23-F93 PolarHBondContact O-N 2.69Å
24V98.3Very high86.4Confident0 Ų068.1 Ų68.10%033%0.333CS..EExtended strand (participates in β ladder)trans-121.8133.5174.3-177.40000108.1F26 E31 R32 F34 F45 V49 L63 F93 F95V24-F26 HydrophobicContact CB-CE2 4.49Å; V24-F26 HydrophobicContact CB-CZ 4.34Å; V24-F26 HydrophobicContact CG1-CD1 4.37Å; V24-F26 HydrophobicContact CG1-CE1 3.95Å; V24-F26 HydrophobicContact CG1-CE2 4.28Å; V24-F26 HydrophobicContact CG1-CZ 3.89Å; V24-E31 WeakPolarHBondContact O-CA 3.46Å; V24-R32 PolarHBondContact N-O 2.85Å; V24-R32 PolarHBondContact O-N 2.98Å; V24-F34 HydrophobicContact CB-CD2 4.27Å; V24-F34 HydrophobicContact CB-CE2 4.04Å; V24-F34 HydrophobicContact CG2-CD2 3.73Å; V24-F34 HydrophobicContact CG2-CE2 3.88Å; V24-F45 HydrophobicContact CG2-CE2 4.37Å; V24-F45 HydrophobicContact CG2-CZ 3.82Å; V24-V49 HydrophobicContact CG1-CG1 4.17Å; V24-V49 HydrophobicContact CG2-CG2 3.93Å; V24-L63 HydrophobicContact CG1-CD2 3.78Å; V24-L63 HydrophobicContact CG2-CD2 4.44Å; V24-F93 CarbonylContact C-O 3.44Å; V24-F93 WeakPolarHBondContact CA-O 3.37Å; V24-F93 HydrophobicContact CG2-CB 4.39Å; V24-F95 HydrophobicContact CG1-CB 4.04Å
25I98Very high88.9Confident34 Ų3466.4 Ų66.417%0.17432%0.317CS..EExtended strand (participates in β ladder)trans-104.2133.1170.9-45.1-175.3000107.8S30 E31 F92 F93 F95I25-S30 CarbonylContact C-O 3.58Å; I25-S30 WeakPolarHBondContact CA-O 3.42Å; I25-E31 WeakPolarHBondContact CD1-OE1 3.18Å; I25-E31 HydrophobicContact CG1-CG 4.1Å; I25-E31 HydrophobicContact CG2-CG 4.39Å; I25-F92 HydrophobicContact CD1-CD2 3.45Å; I25-F92 VanDerWaalsContact CD1-CD2 3.45Å; I25-F92 HydrophobicContact CD1-CE2 3.77Å; I25-F92 HydrophobicContact CD1-CG 4.06Å; I25-F92 HydrophobicContact CG1-CD2 3.91Å; I25-F92 HydrophobicContact CG1-CG 4.48Å; I25-F93 PolarHBondContact N-O 3.23Å; I25-F95 PolarHBondContact O-N 2.76Å
26F98.1Very high90.7Very high4 Ų462.3 Ų62.32%0.01829%0.288CS..  trans-100.7178.9-178.8-64.1-77.7000113.1V24 D28 D29 S30 R32 F34 V49 H52 L53 F95 L366V24-F26 HydrophobicContact CB-CE2 4.49Å; V24-F26 HydrophobicContact CB-CZ 4.34Å; V24-F26 HydrophobicContact CG1-CD1 4.37Å; V24-F26 HydrophobicContact CG1-CE1 3.95Å; V24-F26 HydrophobicContact CG1-CE2 4.28Å; V24-F26 HydrophobicContact CG1-CZ 3.89Å; F26-D28 VanDerWaalsContact C-N 3.28Å; F26-D28 WeakPolarHBondContact CB-OD1 3.47Å; F26-D28 PolarHBondContact O-N 3.31Å; F26-D29 PolarHBondContact O-N 3.34Å; F26-D29 VanDerWaalsContact O-N 3.15Å; F26-S30 WeakPolarHBondContact CD2-OG 3.35Å; F26-S30 PolarHBondContact N-O 3.46Å; F26-R32 HydrophobicContact CE2-CB 3.84Å; F26-F34 HydrophobicContact CE2-CE2 4.5Å; F26-F34 HydrophobicContact CZ-CE2 4.07Å; F26-F34 HydrophobicContact CZ-CZ 4.15Å; F26-V49 HydrophobicContact CE1-CG1 3.61Å; F26-V49 HydrophobicContact CZ-CG1 3.92Å; F26-H52 AromaticContact CZ-CD2 3.83Å; F26-L53 HydrophobicContact CD1-CD1 3.94Å; F26-L53 HydrophobicContact CD1-CD2 4.15Å; F26-L53 HydrophobicContact CD1-CG 4.44Å; F26-L53 HydrophobicContact CE1-CD1 3.79Å; F26-L53 HydrophobicContact CE1-CD2 3.95Å; F26-L53 HydrophobicContact CE1-CG 3.99Å; F26-L53 HydrophobicContact CZ-CD2 4.33Å; F26-F95 HydrophobicContact CD1-CB 3.67Å; F26-F95 AromaticContact CD1-CD1 3.95Å; F26-F95 HydrophobicContact CD1-CD1 3.95Å; F26-F95 AromaticContact CD1-CG 3.82Å; F26-F95 HydrophobicContact CD1-CG 3.82Å; F26-F95 HydrophobicContact CE1-CB 4.06Å; F26-F95 HydrophobicContact CE1-CD2 4.48Å; F26-F95 HydrophobicContact CE1-CG 4.13Å; F26-L366 HydrophobicContact CB-CD1 3.92Å; F26-L366 HydrophobicContact CG-CD1 4.29Å
27L97.1Very high92.5Very high1 Ų157.8 Ų57.81%0.00527%0.27CS..THydrogen-bonded Turntrans-76-12.6-175.2-69.5168.3000113.8D29 F61 F95 V97 L115 L118 Q119 Q122L27-D29 VanDerWaalsContact C-N 3.32Å; L27-F61 HydrophobicContact CD1-CD1 4.4Å; L27-F61 HydrophobicContact CD1-CE1 4.08Å; L27-F95 HydrophobicContact CD1-CD1 4.27Å; L27-F95 HydrophobicContact CD1-CE1 4.32Å; L27-F95 HydrophobicContact CG-CD1 4.41Å; L27-V97 HydrophobicContact CD1-CG2 4.35Å; L27-L115 HydrophobicContact CB-CD2 4.44Å; L27-L115 HydrophobicContact CD1-CB 4.19Å; L27-L115 HydrophobicContact CD1-CD2 4.3Å; L27-L115 WeakPolarHBondContact CD1-O 3.23Å; L27-L118 HydrophobicContact CB-CB 3.85Å; L27-L118 HydrophobicContact CB-CD1 4.1Å; L27-Q119 HydrophobicContact CD2-CB 4.4Å; L27-Q122 PolarHBondContact O-NE2 3.14Å
28D93.5Very high93.7Very high13 Ų1355.4 Ų55.47%0.0726%0.259CS..THydrogen-bonded Turntrans-94.410.5169.667.1-19.3000112.4F26 S30 L118 L366F26-D28 VanDerWaalsContact C-N 3.28Å; F26-D28 WeakPolarHBondContact CB-OD1 3.47Å; F26-D28 PolarHBondContact O-N 3.31Å; D28-S30 PolarHBondContact O-N 3.01Å; D28-S30 VanDerWaalsContact OD1-CB 3.28Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 2.85Å; D28-S30 VanDerWaalsContact OD1-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 2.89Å; D28-S30 PolarHBondContact OD2-OG 3.28Å; D28-L118 HydrophobicContact CB-CD1 3.97Å; D28-L366 HydrophobicContact CB-CD1 4.46Å; D28-L366 WeakPolarHBondContact OD1-CD1 3.37Å; D28-L366 WeakPolarHBondContact OD2-CG 3.28Å
29D94.2Very high94.2Very high102 Ų10257.3 Ų57.355%0.54527%0.266SS..SBendtrans63.613.1-174.7-49.6-49.5000114.8F26 L27 Q122F26-D29 PolarHBondContact O-N 3.34Å; F26-D29 VanDerWaalsContact O-N 3.15Å; L27-D29 VanDerWaalsContact C-N 3.32Å; D29-Q122 PolarHBondContact OD1-NE2 2.75Å
30S95.2Very high94.6Very high10 Ų1052.3 Ų52.37%0.0725%0.246CC..  trans-68.6147.9169.966.10000111.9I25 F26 D28I25-S30 CarbonylContact C-O 3.58Å; I25-S30 WeakPolarHBondContact CA-O 3.42Å; F26-S30 WeakPolarHBondContact CD2-OG 3.35Å; F26-S30 PolarHBondContact N-O 3.46Å; D28-S30 PolarHBondContact O-N 3.01Å; D28-S30 VanDerWaalsContact OD1-CB 3.28Å; D28-S30 WeakPolarHBondContact OD1-CB 3.49Å; D28-S30 PolarHBondContact OD1-N 2.85Å; D28-S30 VanDerWaalsContact OD1-N 3.14Å; D28-S30 PolarHBondContact OD1-OG 2.89Å; D28-S30 PolarHBondContact OD2-OG 3.28Å
31E95.8Very high94.9Very high94 Ų9455 Ų5544%0.43926%0.26SS..EExtended strand (participates in β ladder)trans-118.6126.1177.1-62.6-158.5142.500111.8R23 V24 I25R23-E31 WeakPolarHBondContact CD-OE2 3.29Å; R23-E31 IonicContact CZ-OE1 2.68Å; R23-E31 VanDerWaalsContact CZ-OE1 3.26Å; R23-E31 IonicContact CZ-OE2 3.57Å; R23-E31 IonicContact NE-OE1 3.45Å; R23-E31 IonicContact NE-OE2 3.9Å; R23-E31 IonicContact NH1-OE1 3.02Å; R23-E31 PolarHBondContact NH1-OE1 2.88Å; R23-E31 IonicContact NH1-OE2 3.82Å; R23-E31 PolarHBondContact NH1-OE2 3.34Å; R23-E31 IonicContact NH2-OE1 2.76Å; V24-E31 WeakPolarHBondContact O-CA 3.46Å; I25-E31 WeakPolarHBondContact CD1-OE1 3.18Å; I25-E31 HydrophobicContact CG1-CG 4.1Å; I25-E31 HydrophobicContact CG2-CG 4.39Å
32R96.2Very high95.1Very high95 Ų9547.1 Ų47.136%0.35823%0.23SC..EExtended strand (participates in β ladder)trans-126.8138.6173.8-161.2170.6-173.6-11414.1112.4V24 F26 F34 H52V24-R32 PolarHBondContact N-O 2.85Å; V24-R32 PolarHBondContact O-N 2.98Å; F26-R32 HydrophobicContact CE2-CB 3.84Å; R32-F34 HydrophobicContact CB-CE2 3.95Å; R32-F34 HydrophobicContact CG-CE2 4.15Å; R32-H52 VanDerWaalsContact CD-CD2 3.41Å; R32-H52 WeakPolarHBondContact CD-CD2 3.05Å; R32-H52 WeakPolarHBondContact CD-NE2 3.08Å; R32-H52 VanDerWaalsContact NH1-CG 3.3Å
33T96.6Very high95.2Very high68 Ų6847.7 Ų47.742%0.41724%0.236SC..EExtended strand (participates in β ladder)trans-98.7124.8175.4-61.50000110.6R21 L22R21-T33 HydrophobicContact CB-CG2 3.84Å; L22-T33 WeakPolarHBondContact O-CA 3.31Å
34F95.8Very high95.2Very high6 Ų647.6 Ų47.63%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-105.4133.4178.2-69.5-100.5000110.6R21 L22 V24 F26 R32 F45 K48 V49 H52R21-F34 WeakPolarHBondContact CA-O 3.22Å; L22-F34 PolarHBondContact N-O 2.99Å; L22-F34 PolarHBondContact O-N 2.93Å; V24-F34 HydrophobicContact CB-CD2 4.27Å; V24-F34 HydrophobicContact CB-CE2 4.04Å; V24-F34 HydrophobicContact CG2-CD2 3.73Å; V24-F34 HydrophobicContact CG2-CE2 3.88Å; F26-F34 HydrophobicContact CE2-CE2 4.5Å; F26-F34 HydrophobicContact CZ-CE2 4.07Å; F26-F34 HydrophobicContact CZ-CZ 4.15Å; R32-F34 HydrophobicContact CB-CE2 3.95Å; R32-F34 HydrophobicContact CG-CE2 4.15Å; F34-F45 HydrophobicContact CB-CE2 3.97Å; F34-F45 HydrophobicContact CG-CE2 4.31Å; F34-K48 HydrophobicContact CD1-CD 4.49Å; F34-K48 HydrophobicContact CD1-CG 4.15Å; F34-K48 WeakPolarHBondContact CE1-O 3.46Å; F34-V49 HydrophobicContact CD1-CG2 4.31Å; F34-V49 HydrophobicContact CD2-CG2 4.17Å; F34-V49 HydrophobicContact CE1-CB 4.5Å; F34-V49 HydrophobicContact CE1-CG2 4.06Å; F34-V49 HydrophobicContact CE2-CG2 3.93Å; F34-V49 HydrophobicContact CG-CG2 4.36Å; F34-V49 HydrophobicContact CZ-CB 4.22Å; F34-V49 HydrophobicContact CZ-CG1 4.33Å; F34-V49 HydrophobicContact CZ-CG2 3.86Å; F34-H52 HydrophobicContact CE1-CB 4.05Å; F34-H52 HydrophobicContact CZ-CB 4.07Å; F34-H52 AromaticContact CZ-CD2 3.78Å
35E94.9Very high95.2Very high93 Ų9347.6 Ų47.644%0.43524%0.242SC..EExtended strand (participates in β ladder)trans-93.3125.9171-171.3175.3111.800110.2K19 L20 K48K19-E35 HydrophobicContact CB-CG 4.04Å; K19-E35 HydrophobicContact CD-CG 3.72Å; K19-E35 WeakPolarHBondContact CD-OE1 3.43Å; K19-E35 WeakPolarHBondContact CE-OE1 3.46Å; K19-E35 IonicContact NZ-OE1 2.71Å; K19-E35 PolarHBondContact NZ-OE1 3.42Å; L20-E35 WeakPolarHBondContact O-CA 3.39Å; E35-K48 PolarHBondContact O-NZ 2.85Å
36V94Very high95.2Very high8 Ų846.5 Ų46.55%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-143.3158.9-179.4-63.30000111.7K19 L20 L22 V40 F45 K48 L81K19-V36 CarbonylContact C-O 3.48Å; K19-V36 VanDerWaalsContact CA-O 3.23Å; K19-V36 WeakPolarHBondContact CA-O 3.18Å; L20-V36 HydrophobicContact CB-CG2 4.31Å; L20-V36 PolarHBondContact N-O 3.15Å; L20-V36 PolarHBondContact O-N 2.97Å; L22-V36 HydrophobicContact CD1-CG2 3.58Å; L22-V36 HydrophobicContact CG-CG2 4.18Å; V36-V40 HydrophobicContact CB-CG1 4.09Å; V36-V40 HydrophobicContact CG2-CG1 4.01Å; V36-F45 HydrophobicContact CG1-CD2 3.94Å; V36-K48 HydrophobicContact CG1-CD 3.97Å; V36-L81 HydrophobicContact CG2-CD1 4.22Å
37E92.1Very high95.2Very high99 Ų9949.5 Ų49.546%0.46325%0.252SS..EExtended strand (participates in β ladder)trans-66.6151.7171.7-68.4147.1-132.800112.2E17 N39 V40E17-E37 HydrophobicContact CG-CG 3.96Å; E37-N39 VanDerWaalsContact C-N 3.29Å; E37-N39 PolarHBondContact O-N 3.35Å; E37-V40 WeakPolarHBondContact O-CB 3.47Å; E37-V40 WeakPolarHBondContact O-CG1 3.44Å; E37-V40 PolarHBondContact O-N 2.95Å
38Q86.3Confident95.2Very high78 Ų7854.7 Ų54.736%0.36427%0.274SS..THydrogen-bonded Turntrans-56-41174.9-114.3-169.2-15.500113.7T18 L20 V82T18-Q38 WeakPolarHBondContact O-CB 3.43Å; T18-Q38 WeakPolarHBondContact O-CG 3Å; T18-Q38 PolarHBondContact O-N 2.92Å; L20-Q38 HydrophobicContact CD1-CG 4.04Å; L20-Q38 HydrophobicContact CD2-CG 3.83Å; L20-Q38 HydrophobicContact CG-CG 3.88Å; Q38-V82 HydrophobicContact CB-CG1 3.9Å; Q38-V82 HydrophobicContact CG-CG1 3.62Å; Q38-V82 VanDerWaalsContact O-CG1 3.23Å; Q38-V82 WeakPolarHBondContact O-CG1 3.47Å; Q38-V82 WeakPolarHBondContact O-CG2 3.21Å
39N90.5Very high95.4Very high116 Ų11654 Ų5462%0.6227%0.271SS*.THydrogen-bonded Turntrans-88.2-3.7-170-68-48.2000114.4E37E37-N39 VanDerWaalsContact C-N 3.29Å; E37-N39 PolarHBondContact O-N 3.35Å
40V95.3Very high95.6Very high20 Ų2049.3 Ų49.312%0.12125%0.246CC..  trans-51.6144.2-179.175.30000112V36 E37 D44 F45 P80 L81V36-V40 HydrophobicContact CB-CG1 4.09Å; V36-V40 HydrophobicContact CG2-CG1 4.01Å; E37-V40 WeakPolarHBondContact O-CB 3.47Å; E37-V40 WeakPolarHBondContact O-CG1 3.44Å; E37-V40 PolarHBondContact O-N 2.95Å; V40-D44 HydrophobicContact CG2-CB 3.75Å; V40-F45 HydrophobicContact CG1-CB 4.48Å; V40-P80 CarbonylContact O-C 3.47Å; V40-P80 VanDerWaalsContact O-CA 3.29Å; V40-P80 WeakPolarHBondContact O-CA 3.34Å; V40-L81 HydrophobicContact CG1-CB 4.38Å; V40-L81 HydrophobicContact CG1-CD1 3.44Å; V40-L81 VanDerWaalsContact CG1-CD1 3.44Å; V40-L81 HydrophobicContact CG1-CG 3.69Å; V40-L81 PolarHBondContact O-N 3.29Å
41L96.6Very high95.7Very high67 Ų6751.2 Ų51.235%0.35127%0.267SS..BIsolated β-bridgetrans-75.2155.1175-52.7176.5000110.6G43 D44 F45 P80L41-G43 PolarHBondContact O-N 3.11Å; L41-D44 WeakPolarHBondContact CB-OD2 3.39Å; L41-D44 WeakPolarHBondContact CG-OD2 3.31Å; L41-D44 PolarHBondContact N-OD2 2.93Å; L41-D44 VanDerWaalsContact N-OD2 3.11Å; L41-D44 PolarHBondContact O-N 3.12Å; L41-F45 PolarHBondContact O-N 2.88Å; L41-F45 VanDerWaalsContact O-N 3.12Å; L41-P80 HydrophobicContact CD2-CG 3.85Å
42G96.9Very high95.7Very high0 Ų047.6 Ų47.60%025%0.25CS..Hα-helixtrans-56.9-33170.900000112.5F46 L75 L77 K79G42-F46 WeakPolarHBondContact O-CB 3.02Å; G42-F46 PolarHBondContact O-N 3.44Å; G42-L75 WeakPolarHBondContact O-CD2 3.34Å; G42-L77 PolarHBondContact N-O 3.44Å; G42-K79 PolarHBondContact N-O 2.92Å
43G96.9Very high95.6Very high12 Ų1243.3 Ų43.312%0.12423%0.234CC..Hα-helixtrans-61.9-48.5174.500000112.9L41 F46 N47 L77L41-G43 PolarHBondContact O-N 3.11Å; G43-F46 PolarHBondContact O-N 2.83Å; G43-N47 WeakPolarHBondContact O-CB 3.34Å; G43-N47 PolarHBondContact O-N 3Å; G43-N47 PolarHBondContact O-ND2 3.26Å; G43-N47 VanDerWaalsContact O-ND2 3.13Å; G43-L77 PolarHBondContact N-O 3.21Å
44D97.4Very high95.5Very high79 Ų7943.1 Ų43.142%0.42223%0.227SC..Hα-helixtrans-72.2-37-176.1-34.1-46.9000111V40 L41 N47 K48V40-D44 HydrophobicContact CG2-CB 3.75Å; L41-D44 WeakPolarHBondContact CB-OD2 3.39Å; L41-D44 WeakPolarHBondContact CG-OD2 3.31Å; L41-D44 PolarHBondContact N-OD2 2.93Å; L41-D44 VanDerWaalsContact N-OD2 3.11Å; L41-D44 PolarHBondContact O-N 3.12Å; D44-N47 PolarHBondContact O-N 3.25Å; D44-K48 WeakPolarHBondContact O-CB 3.35Å; D44-K48 PolarHBondContact O-N 2.89Å
45F97.7Very high95.5Very high0 Ų043.3 Ų43.30%023%0.229CC..Hα-helixtrans-62.9-46.1170.8174.3-131.3000111.8L22 V24 F34 V36 V40 L41 N47 K48 V49 L63 L75 L81 F93L22-F45 HydrophobicContact CB-CE2 4.2Å; L22-F45 HydrophobicContact CB-CZ 3.91Å; L22-F45 HydrophobicContact CD1-CD1 4.31Å; L22-F45 HydrophobicContact CD1-CD2 4.38Å; L22-F45 HydrophobicContact CD1-CE1 4.02Å; L22-F45 HydrophobicContact CD1-CE2 4.1Å; L22-F45 HydrophobicContact CD1-CG 4.5Å; L22-F45 HydrophobicContact CD1-CZ 3.91Å; V24-F45 HydrophobicContact CG2-CE2 4.37Å; V24-F45 HydrophobicContact CG2-CZ 3.82Å; F34-F45 HydrophobicContact CB-CE2 3.97Å; F34-F45 HydrophobicContact CG-CE2 4.31Å; V36-F45 HydrophobicContact CG1-CD2 3.94Å; V40-F45 HydrophobicContact CG1-CB 4.48Å; L41-F45 PolarHBondContact O-N 2.88Å; L41-F45 VanDerWaalsContact O-N 3.12Å; F45-N47 PolarHBondContact O-N 3.03Å; F45-K48 WeakPolarHBondContact O-CB 3.39Å; F45-K48 PolarHBondContact O-N 2.86Å; F45-V49 HydrophobicContact CD2-CG2 4.21Å; F45-V49 HydrophobicContact CE2-CG2 3.78Å; F45-V49 HydrophobicContact CZ-CG2 4.15Å; F45-V49 WeakPolarHBondContact O-CG2 3.47Å; F45-V49 PolarHBondContact O-N 3.43Å; F45-L63 HydrophobicContact CD1-CD1 4.06Å; F45-L63 HydrophobicContact CE1-CD1 3.81Å; F45-L63 HydrophobicContact CZ-CD1 4.33Å; F45-L75 HydrophobicContact CD1-CD2 3.9Å; F45-L75 HydrophobicContact CE1-CD2 4.49Å; F45-L81 HydrophobicContact CB-CD1 4.04Å; F45-L81 HydrophobicContact CD1-CD1 3.91Å; F45-L81 HydrophobicContact CD1-CD2 4.16Å; F45-L81 HydrophobicContact CG-CD1 4.01Å; F45-F93 HydrophobicContact CD1-CZ 4.4Å; F45-F93 HydrophobicContact CE1-CD1 4.19Å; F45-F93 AromaticContact CE1-CD2 3.75Å; F45-F93 HydrophobicContact CE1-CD2 3.75Å; F45-F93 HydrophobicContact CE1-CE1 4.02Å; F45-F93 AromaticContact CE1-CE2 3.57Å; F45-F93 HydrophobicContact CE1-CE2 3.57Å; F45-F93 HydrophobicContact CE1-CG 4.06Å; F45-F93 AromaticContact CE1-CZ 3.7Å; F45-F93 HydrophobicContact CE1-CZ 3.7Å; F45-F93 AromaticContact CZ-CD2 3.95Å; F45-F93 HydrophobicContact CZ-CD2 3.95Å; F45-F93 HydrophobicContact CZ-CE2 4.01Å; F45-F93 HydrophobicContact CZ-CG 4.49Å
46F98.3Very high95.5Very high11 Ų1143.4 Ų43.45%0.04823%0.232CC..Hα-helixtrans-60.7-44.4175178.7-117.9000112G42 G43 K48 V49 C50 K58 F61 L63 L77 F95G42-F46 WeakPolarHBondContact O-CB 3.02Å; G42-F46 PolarHBondContact O-N 3.44Å; G43-F46 PolarHBondContact O-N 2.83Å; F46-K48 VanDerWaalsContact C-N 3.3Å; F46-K48 PolarHBondContact O-N 2.87Å; F46-V49 PolarHBondContact O-N 2.95Å; F46-V49 VanDerWaalsContact O-N 3.12Å; F46-C50 WeakPolarHBondContact CE2-SG 3.37Å; F46-C50 VanDerWaalsContact CZ-SG 3.54Å; F46-C50 PolarHBondContact O-N 2.7Å; F46-C50 PolarHBondContact O-SG 3.31Å; F46-C50 VanDerWaalsContact O-SG 3.38Å; F46-K58 WeakPolarHBondContact CZ-O 3.46Å; F46-F61 HydrophobicContact CZ-CB 4.36Å; F46-F61 WeakPolarHBondContact CZ-O 3.38Å; F46-L63 HydrophobicContact CB-CD1 4.27Å; F46-L63 HydrophobicContact CD2-CD1 3.91Å; F46-L63 HydrophobicContact CD2-CG 3.93Å; F46-L77 HydrophobicContact CB-CD2 3.94Å; F46-L77 HydrophobicContact CD1-CD1 4.42Å; F46-L77 HydrophobicContact CD1-CD2 4.13Å; F46-L77 HydrophobicContact CG-CD2 4.15Å; F46-F95 HydrophobicContact CE2-CD2 4.48Å; F46-F95 HydrophobicContact CE2-CE2 4.09Å
47N97.6Very high95.6Very high68 Ų6843.1 Ų43.136%0.36423%0.23SC..Hα-helixtrans-58.7-39.9174-74.6-36.5000111.8G43 D44 F45 V49 C50 G51 K58G43-N47 WeakPolarHBondContact O-CB 3.34Å; G43-N47 PolarHBondContact O-N 3Å; G43-N47 PolarHBondContact O-ND2 3.26Å; G43-N47 VanDerWaalsContact O-ND2 3.13Å; D44-N47 PolarHBondContact O-N 3.25Å; F45-N47 PolarHBondContact O-N 3.03Å; N47-V49 VanDerWaalsContact C-N 3.33Å; N47-V49 PolarHBondContact O-N 3.37Å; N47-C50 PolarHBondContact O-N 2.83Å; N47-G51 PolarHBondContact O-N 3.32Å; N47-K58 PolarHBondContact OD1-NZ 3.04Å
48K97.6Very high95.8Very high109 Ų10941.1 Ų41.147%0.47422%0.22SC..Hα-helixtrans-65.6-33.8175.9-166173.6-171.1168.90112.8F34 E35 V36 D44 F45 F46 H52F34-K48 HydrophobicContact CD1-CD 4.49Å; F34-K48 HydrophobicContact CD1-CG 4.15Å; F34-K48 WeakPolarHBondContact CE1-O 3.46Å; E35-K48 PolarHBondContact O-NZ 2.85Å; V36-K48 HydrophobicContact CG1-CD 3.97Å; D44-K48 WeakPolarHBondContact O-CB 3.35Å; D44-K48 PolarHBondContact O-N 2.89Å; F45-K48 WeakPolarHBondContact O-CB 3.39Å; F45-K48 PolarHBondContact O-N 2.86Å; F46-K48 VanDerWaalsContact C-N 3.3Å; F46-K48 PolarHBondContact O-N 2.87Å; K48-H52 PolarHBondContact O-N 3.35Å
49V98.2Very high96.3Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-71.5-48.9174.1174.70000111.1V24 F26 F34 F45 F46 N47 G51 H52 L53 L63 F95V24-V49 HydrophobicContact CG1-CG1 4.17Å; V24-V49 HydrophobicContact CG2-CG2 3.93Å; F26-V49 HydrophobicContact CE1-CG1 3.61Å; F26-V49 HydrophobicContact CZ-CG1 3.92Å; F34-V49 HydrophobicContact CD1-CG2 4.31Å; F34-V49 HydrophobicContact CD2-CG2 4.17Å; F34-V49 HydrophobicContact CE1-CB 4.5Å; F34-V49 HydrophobicContact CE1-CG2 4.06Å; F34-V49 HydrophobicContact CE2-CG2 3.93Å; F34-V49 HydrophobicContact CG-CG2 4.36Å; F34-V49 HydrophobicContact CZ-CB 4.22Å; F34-V49 HydrophobicContact CZ-CG1 4.33Å; F34-V49 HydrophobicContact CZ-CG2 3.86Å; F45-V49 HydrophobicContact CD2-CG2 4.21Å; F45-V49 HydrophobicContact CE2-CG2 3.78Å; F45-V49 HydrophobicContact CZ-CG2 4.15Å; F45-V49 WeakPolarHBondContact O-CG2 3.47Å; F45-V49 PolarHBondContact O-N 3.43Å; F46-V49 PolarHBondContact O-N 2.95Å; F46-V49 VanDerWaalsContact O-N 3.12Å; N47-V49 VanDerWaalsContact C-N 3.33Å; N47-V49 PolarHBondContact O-N 3.37Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 3.39Å; V49-H52 WeakPolarHBondContact O-CB 3.49Å; V49-H52 PolarHBondContact O-N 2.68Å; V49-L53 PolarHBondContact O-N 2.96Å; V49-L63 HydrophobicContact CB-CD1 4.41Å; V49-L63 HydrophobicContact CG1-CD2 4.41Å; V49-L63 HydrophobicContact CG2-CD1 4.08Å; V49-F95 HydrophobicContact CG1-CD2 4.01Å
50C97.8Very high96.6Very high2 Ų232.6 Ų32.61%0.01418%0.176CC..Hα-helixtrans-65.9-33.4178.1-63.70000112.9F46 N47 L53 K54 L55 K58F46-C50 WeakPolarHBondContact CE2-SG 3.37Å; F46-C50 VanDerWaalsContact CZ-SG 3.54Å; F46-C50 PolarHBondContact O-N 2.7Å; F46-C50 PolarHBondContact O-SG 3.31Å; F46-C50 VanDerWaalsContact O-SG 3.38Å; N47-C50 PolarHBondContact O-N 2.83Å; C50-L53 CarbonylContact O-C 3.55Å; C50-L53 PolarHBondContact O-N 2.9Å; C50-K54 PolarHBondContact O-N 3.48Å; C50-L55 HydrophobicContact CB-CB 4.43Å; C50-L55 PolarHBondContact O-N 3.44Å; C50-K58 HydrophobicContact CB-CB 3.87Å; C50-K58 HydrophobicContact CB-CD 4.4Å
51G97Very high96.8Very high50 Ų5031.8 Ų31.852%0.51517%0.171SC..Hα-helixtrans-66.3-34.1175.400000113.2N47 V49 L53 K54N47-G51 PolarHBondContact O-N 3.32Å; V49-G51 VanDerWaalsContact C-N 3.32Å; V49-G51 PolarHBondContact O-N 3.39Å; G51-L53 VanDerWaalsContact C-N 3.35Å; G51-K54 PolarHBondContact O-N 2.89Å; G51-K54 VanDerWaalsContact O-N 3.14Å
52H95.6Very high96.9Very high19 Ų1928.9 Ų28.99%0.08816%0.157CC..Hα-helixtrans-61.4-43.8169.8159.541.4000111.6F26 R32 F34 K48 V49 K54 T367 S370F26-H52 AromaticContact CZ-CD2 3.83Å; R32-H52 VanDerWaalsContact CD-CD2 3.41Å; R32-H52 WeakPolarHBondContact CD-CD2 3.05Å; R32-H52 WeakPolarHBondContact CD-NE2 3.08Å; R32-H52 VanDerWaalsContact NH1-CG 3.3Å; F34-H52 HydrophobicContact CE1-CB 4.05Å; F34-H52 HydrophobicContact CZ-CB 4.07Å; F34-H52 AromaticContact CZ-CD2 3.78Å; K48-H52 PolarHBondContact O-N 3.35Å; V49-H52 WeakPolarHBondContact O-CB 3.49Å; V49-H52 PolarHBondContact O-N 2.68Å; H52-K54 PolarHBondContact O-N 2.71Å; H52-T367 PolarHBondContact CE1-OG1 3.23Å; H52-S370 PolarHBondContact CE1-OG 2.8Å; H52-S370 VanDerWaalsContact CE1-OG 3.27Å; H52-S370 PolarHBondContact ND1-OG 2.95Å; H52-S370 PolarHBondContact O-OG 3.44Å; H52-S370 VanDerWaalsContact O-OG 3.08Å
53L94.9Very high96.9Very high4 Ų429.1 Ų29.12%0.02116%0.158CC..THydrogen-bonded Turntrans-72.9-0.5176.2-59.2-177.5000113.6F26 V49 C50 G51 L55 F95 L111 L366F26-L53 HydrophobicContact CD1-CD1 3.94Å; F26-L53 HydrophobicContact CD1-CD2 4.15Å; F26-L53 HydrophobicContact CD1-CG 4.44Å; F26-L53 HydrophobicContact CE1-CD1 3.79Å; F26-L53 HydrophobicContact CE1-CD2 3.95Å; F26-L53 HydrophobicContact CE1-CG 3.99Å; F26-L53 HydrophobicContact CZ-CD2 4.33Å; V49-L53 PolarHBondContact O-N 2.96Å; C50-L53 CarbonylContact O-C 3.55Å; C50-L53 PolarHBondContact O-N 2.9Å; G51-L53 VanDerWaalsContact C-N 3.35Å; L53-L55 HydrophobicContact CB-CB 3.97Å; L53-L55 HydrophobicContact CD1-CD2 4.5Å; L53-L55 PolarHBondContact O-N 3Å; L53-L55 VanDerWaalsContact O-N 3.11Å; L53-F95 HydrophobicContact CD1-CD1 4.28Å; L53-F95 HydrophobicContact CD1-CE1 3.84Å; L53-F95 HydrophobicContact CD1-CE2 4.23Å; L53-F95 HydrophobicContact CD1-CZ 3.82Å; L53-L111 WeakPolarHBondContact O-CD2 3.41Å; L53-L366 HydrophobicContact CD2-CB 3.85Å; L53-L366 HydrophobicContact CD2-CD1 3.9Å; L53-L366 HydrophobicContact CD2-CD2 4.4Å; L53-L366 HydrophobicContact CD2-CG 4.26Å
54K94.9Very high96.9Very high64 Ų6429.5 Ų29.528%0.27816%0.157SC..THydrogen-bonded Turntrans50.332.5-170.5-63.8179.9171.8175.60112.7C50 G51 H52 L56 S370 Q373 D374C50-K54 PolarHBondContact O-N 3.48Å; G51-K54 PolarHBondContact O-N 2.89Å; G51-K54 VanDerWaalsContact O-N 3.14Å; H52-K54 PolarHBondContact O-N 2.71Å; K54-L56 PolarHBondContact O-N 2.94Å; K54-S370 WeakPolarHBondContact CE-O 3.2Å; K54-S370 PolarHBondContact NZ-O 2.96Å; K54-Q373 HydrophobicContact CD-CB 3.84Å; K54-Q373 PolarHBondContact NZ-O 3.4Å; K54-D374 IonicContact NZ-OD1 3.83Å; K54-D374 PolarHBondContact NZ-OD1 3.33Å
55L95.5Very high96.8Very high11 Ų1126 Ų266%0.05814%0.138CC..  trans-85.8111.4-167.3-179.363.1000113.1C50 L53 K58 F61 F95 L111 L115C50-L55 HydrophobicContact CB-CB 4.43Å; C50-L55 PolarHBondContact O-N 3.44Å; L53-L55 HydrophobicContact CB-CB 3.97Å; L53-L55 HydrophobicContact CD1-CD2 4.5Å; L53-L55 PolarHBondContact O-N 3Å; L53-L55 VanDerWaalsContact O-N 3.11Å; L55-K58 HydrophobicContact CD2-CB 4.39Å; L55-K58 HydrophobicContact CG-CB 4.36Å; L55-F61 HydrophobicContact CD1-CE2 4.26Å; L55-F61 HydrophobicContact CD2-CD2 3.72Å; L55-F61 HydrophobicContact CD2-CE2 3.88Å; L55-F61 HydrophobicContact CD2-CG 4.29Å; L55-F95 HydrophobicContact CD2-CE2 4.44Å; L55-F95 HydrophobicContact CD2-CZ 3.66Å; L55-L111 HydrophobicContact CD1-CD2 4.3Å; L55-L111 HydrophobicContact CD1-CG 4.48Å; L55-L115 HydrophobicContact CD1-CD1 3.99Å; L55-L115 HydrophobicContact CD2-CD1 4.18Å
56L93.9Very high96.6Very high95 Ų9532.7 Ų32.750%0.49716%0.163SC..THydrogen-bonded Turntrans-83.9-28.8-176.4-60.3175.9000114.6K54 K58 R323K54-L56 PolarHBondContact O-N 2.94Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.12Å; L56-R323 PolarHBondContact O-NH2 3.16Å
57E96.3Very high96.1Very high1 Ų134.8 Ų34.81%0.00517%0.173CC..THydrogen-bonded Turntrans-99.340.4178.2-65.3171.4108.700110.6E59 Y60 K108 R109 T112 L328 M332E57-E59 PolarHBondContact O-N 3.47Å; E57-E59 VanDerWaalsContact O-N 3.15Å; E57-Y60 HydrophobicContact CB-CD2 3.97Å; E57-Y60 HydrophobicContact CB-CE2 4.16Å; E57-Y60 PolarHBondContact O-N 3.23Å; E57-K108 PolarHBondContact OE1-N 3.34Å; E57-K108 PolarHBondContact OE2-N 3.28Å; E57-R109 HydrophobicContact CG-CG 4.32Å; E57-R109 WeakPolarHBondContact OE2-CB 3.23Å; E57-R109 VanDerWaalsContact OE2-CG 3.24Å; E57-R109 WeakPolarHBondContact OE2-CG 3.39Å; E57-R109 PolarHBondContact OE2-N 3.21Å; E57-T112 HydrophobicContact CB-CG2 3.91Å; E57-T112 WeakPolarHBondContact OE2-CB 3.44Å; E57-T112 PolarHBondContact OE2-OG1 3.38Å; E57-L328 HydrophobicContact CG-CD1 4.36Å; E57-M332 HydrophobicContact CG-CE 3.68Å; E57-M332 HydrophobicContact CG-SD 3.67Å
58K96.6Very high95.4Very high57 Ų5738.8 Ų38.825%0.24819%0.19CC..G310 helixtrans-58.2-26.8-173.963-179.7-178.3-178.40113.9F46 N47 C50 L55 L56 Y60 F61F46-K58 WeakPolarHBondContact CZ-O 3.46Å; N47-K58 PolarHBondContact OD1-NZ 3.04Å; C50-K58 HydrophobicContact CB-CB 3.87Å; C50-K58 HydrophobicContact CB-CD 4.4Å; L55-K58 HydrophobicContact CD2-CB 4.39Å; L55-K58 HydrophobicContact CG-CB 4.36Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.12Å; K58-Y60 PolarHBondContact O-N 2.7Å; K58-F61 PolarHBondContact O-N 3.42Å
59E96.8Very high94.6Very high15 Ų1536.8 Ų36.87%0.0719%0.189CC..G310 helixtrans-61.9-28.5-174.1-72.975.1-173.300113E57 F61 F99 F296 R323E57-E59 PolarHBondContact O-N 3.47Å; E57-E59 VanDerWaalsContact O-N 3.15Å; E59-F61 PolarHBondContact O-N 3.2Å; E59-F99 WeakPolarHBondContact O-CD2 3.39Å; E59-F99 WeakPolarHBondContact O-CE2 3.37Å; E59-F296 HydrophobicContact CB-CE2 3.8Å; E59-F296 HydrophobicContact CB-CZ 4.44Å; E59-R323 VanDerWaalsContact CD-NH2 3.25Å; E59-R323 HydrophobicContact CG-CB 4.17Å; E59-R323 IonicContact OE1-CZ 3.71Å; E59-R323 IonicContact OE1-NE 2.68Å; E59-R323 PolarHBondContact OE1-NE 3.3Å; E59-R323 IonicContact OE1-NH2 3.34Å; E59-R323 PolarHBondContact OE1-NH2 3.18Å; E59-R323 IonicContact OE2-CZ 2.83Å; E59-R323 IonicContact OE2-NE 3.16Å; E59-R323 IonicContact OE2-NH2 2.7Å; E59-R323 PolarHBondContact OE2-NH2 3.01Å
60Y97.9Very high93.9Very high0 Ų037.8 Ų37.80%020%0.199CC..G310 helixtrans-67.1-13.6174.9-67.1-67.6000114E57 K58 K98 F99 P101 L107 T112 F116 F296 Q325 L328E57-Y60 HydrophobicContact CB-CD2 3.97Å; E57-Y60 HydrophobicContact CB-CE2 4.16Å; E57-Y60 PolarHBondContact O-N 3.23Å; K58-Y60 PolarHBondContact O-N 2.7Å; Y60-K98 WeakPolarHBondContact O-CA 3.25Å; Y60-K98 PolarHBondContact O-N 2.91Å; Y60-F99 HydrophobicContact CD1-CB 4.45Å; Y60-F99 PolarHBondContact O-N 3.48Å; Y60-P101 HydrophobicContact CE1-CB 4.24Å; Y60-P101 HydrophobicContact CE1-CG 4.1Å; Y60-L107 HydrophobicContact CD1-CD2 4.38Å; Y60-L107 HydrophobicContact CD2-CD2 3.7Å; Y60-L107 HydrophobicContact CE1-CD2 4.15Å; Y60-L107 HydrophobicContact CE2-CD2 3.42Å; Y60-L107 VanDerWaalsContact CE2-CD2 3.42Å; Y60-L107 HydrophobicContact CG-CD2 4.19Å; Y60-T112 HydrophobicContact CD2-CG2 4.35Å; Y60-F116 HydrophobicContact CD1-CZ 4.39Å; Y60-F116 HydrophobicContact CG-CE2 4.24Å; Y60-F116 HydrophobicContact CG-CZ 4.22Å; Y60-F296 AromaticContact CD1-CE1 3.78Å; Y60-F296 HydrophobicContact CD1-CE1 3.78Å; Y60-F296 AromaticContact CD1-CZ 3.72Å; Y60-F296 HydrophobicContact CD1-CZ 3.72Å; Y60-F296 AromaticContact CE1-CE1 3.73Å; Y60-F296 HydrophobicContact CE1-CE1 3.73Å; Y60-F296 AromaticContact CE1-CZ 3.61Å; Y60-F296 HydrophobicContact CE1-CZ 3.61Å; Y60-F296 HydrophobicContact CG-CZ 4.43Å; Y60-Q325 PolarHBondContact OH-NE2 3.27Å; Y60-L328 HydrophobicContact CD2-CD2 4.1Å; Y60-L328 HydrophobicContact CE2-CD2 3.51Å
61F98.4Very high93.4Very high4 Ų441.6 Ų41.62%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-111.7170.6-171.6-59.2-93.6000112.3L27 F46 L55 K58 E59 F95 I96 V97 T112 L115 F116L27-F61 HydrophobicContact CD1-CD1 4.4Å; L27-F61 HydrophobicContact CD1-CE1 4.08Å; F46-F61 HydrophobicContact CZ-CB 4.36Å; F46-F61 WeakPolarHBondContact CZ-O 3.38Å; L55-F61 HydrophobicContact CD1-CE2 4.26Å; L55-F61 HydrophobicContact CD2-CD2 3.72Å; L55-F61 HydrophobicContact CD2-CE2 3.88Å; L55-F61 HydrophobicContact CD2-CG 4.29Å; K58-F61 PolarHBondContact O-N 3.42Å; E59-F61 PolarHBondContact O-N 3.2Å; F61-F95 HydrophobicContact CB-CE1 4.21Å; F61-F95 HydrophobicContact CB-CE2 3.79Å; F61-F95 HydrophobicContact CB-CZ 3.49Å; F61-F95 VanDerWaalsContact CB-CZ 3.49Å; F61-F95 HydrophobicContact CD1-CD1 4.41Å; F61-F95 AromaticContact CD1-CE1 3.44Å; F61-F95 HydrophobicContact CD1-CE1 3.44Å; F61-F95 VanDerWaalsContact CD1-CE1 3.44Å; F61-F95 AromaticContact CD1-CZ 3.53Å; F61-F95 HydrophobicContact CD1-CZ 3.53Å; F61-F95 HydrophobicContact CD2-CZ 4.21Å; F61-F95 AromaticContact CE1-CE1 3.99Å; F61-F95 HydrophobicContact CE1-CE1 3.99Å; F61-F95 HydrophobicContact CE1-CZ 4.31Å; F61-F95 AromaticContact CG-CE1 3.92Å; F61-F95 HydrophobicContact CG-CE1 3.92Å; F61-F95 HydrophobicContact CG-CE2 4.28Å; F61-F95 AromaticContact CG-CZ 3.47Å; F61-F95 HydrophobicContact CG-CZ 3.47Å; F61-F95 VanDerWaalsContact CG-CZ 3.47Å; F61-I96 WeakPolarHBondContact CA-O 3.45Å; F61-V97 HydrophobicContact CD1-CG2 3.95Å; F61-V97 HydrophobicContact CE1-CG2 3.62Å; F61-V97 HydrophobicContact CZ-CG2 4.47Å; F61-T112 HydrophobicContact CE2-CG2 4.07Å; F61-T112 HydrophobicContact CZ-CG2 4.27Å; F61-L115 HydrophobicContact CE1-CB 3.73Å; F61-L115 HydrophobicContact CE1-CD1 4.2Å; F61-L115 HydrophobicContact CZ-CB 3.72Å; F61-L115 HydrophobicContact CZ-CD1 3.94Å; F61-F116 HydrophobicContact CE1-CD2 4.36Å; F61-F116 HydrophobicContact CE1-CE2 4.38Å; F61-F116 HydrophobicContact CE2-CE2 4.23Å; F61-F116 AromaticContact CZ-CD2 3.85Å; F61-F116 HydrophobicContact CZ-CD2 3.85Å; F61-F116 AromaticContact CZ-CE2 3.84Å; F61-F116 HydrophobicContact CZ-CE2 3.84Å
62G98Very high93.1Very high6 Ų643.3 Ų43.36%0.06221%0.208CC..EExtended strand (participates in β ladder)trans-155.3171.5171.400000112.5I96G62-I96 PolarHBondContact N-O 2.98Å; G62-I96 PolarHBondContact O-N 3.05Å
63L98.3Very high92.9Very high4 Ų444.3 Ų44.32%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-105.8129.9166.3-70164.5000108.8V24 F45 F46 V49 L75 F93 R94 F95V24-L63 HydrophobicContact CG1-CD2 3.78Å; V24-L63 HydrophobicContact CG2-CD2 4.44Å; F45-L63 HydrophobicContact CD1-CD1 4.06Å; F45-L63 HydrophobicContact CE1-CD1 3.81Å; F45-L63 HydrophobicContact CZ-CD1 4.33Å; F46-L63 HydrophobicContact CB-CD1 4.27Å; F46-L63 HydrophobicContact CD2-CD1 3.91Å; F46-L63 HydrophobicContact CD2-CG 3.93Å; V49-L63 HydrophobicContact CB-CD1 4.41Å; V49-L63 HydrophobicContact CG1-CD2 4.41Å; V49-L63 HydrophobicContact CG2-CD1 4.08Å; L63-L75 HydrophobicContact CB-CB 4.17Å; L63-L75 HydrophobicContact CB-CD2 4.05Å; L63-L75 HydrophobicContact CD1-CD2 3.94Å; L63-L75 VanDerWaalsContact O-CB 3.3Å; L63-L75 WeakPolarHBondContact O-CB 3.37Å; L63-L75 PolarHBondContact O-N 3.27Å; L63-F93 HydrophobicContact CB-CB 4.42Å; L63-F93 HydrophobicContact CB-CD1 4.08Å; L63-F93 HydrophobicContact CD2-CB 3.9Å; L63-R94 WeakPolarHBondContact CA-O 3.43Å; L63-F95 HydrophobicContact CD2-CB 4.01Å; L63-F95 HydrophobicContact CD2-CD2 4.29Å
64E96.8Very high93Very high20 Ų2046.6 Ų46.69%0.09322%0.224CC..EExtended strand (participates in β ladder)trans-115156165.562.2167.3-176.400110.6Y72 V73 W74 F93 R94 I96E64-Y72 HydrophobicContact CG-CD1 4.33Å; E64-Y72 VanDerWaalsContact OE2-CB 3.32Å; E64-Y72 WeakPolarHBondContact OE2-CB 3.24Å; E64-V73 CarbonylContact C-O 3.59Å; E64-V73 VanDerWaalsContact CA-O 3.24Å; E64-V73 WeakPolarHBondContact CA-O 3.41Å; E64-V73 WeakPolarHBondContact CB-O 3.4Å; E64-W74 HydrophobicContact CB-CE3 4.22Å; E64-F93 CarbonylContact O-C 3.59Å; E64-F93 WeakPolarHBondContact O-CA 3.36Å; E64-R94 HydrophobicContact CG-CB 4.02Å; E64-R94 PolarHBondContact N-O 3.28Å; E64-R94 PolarHBondContact O-N 3.43Å; E64-R94 IonicContact OE1-CZ 2.7Å; E64-R94 IonicContact OE1-NE 3.81Å; E64-R94 PolarHBondContact OE1-NE 2.8Å; E64-R94 IonicContact OE1-NH2 3.92Å; E64-R94 PolarHBondContact OE1-NH2 2.83Å; E64-R94 IonicContact OE2-NH2 3.26Å; E64-I96 HydrophobicContact CG-CG2 4.02Å
65F95.8Very high93.1Very high7 Ų743.7 Ų43.73%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-141.1157.2174.664.5-81.4000110.5H67 Y72 V73 Q84 I85 L91 F93F65-H67 PolarHBondContact O-N 3.41Å; F65-Y72 WeakPolarHBondContact O-CA 3.3Å; F65-V73 HydrophobicContact CD1-CG2 4.23Å; F65-V73 HydrophobicContact CD2-CG2 4.4Å; F65-V73 HydrophobicContact CE1-CG2 3.74Å; F65-V73 HydrophobicContact CE2-CG2 3.92Å; F65-V73 HydrophobicContact CZ-CG2 3.57Å; F65-V73 PolarHBondContact N-O 3.35Å; F65-V73 PolarHBondContact O-N 3.42Å; F65-Q84 HydrophobicContact CZ-CB 4.35Å; F65-I85 HydrophobicContact CD1-CG2 4.42Å; F65-I85 HydrophobicContact CD2-CG2 3.97Å; F65-I85 HydrophobicContact CE1-CG2 4.24Å; F65-I85 HydrophobicContact CE2-CG2 3.77Å; F65-I85 HydrophobicContact CG-CG2 4.29Å; F65-I85 HydrophobicContact CZ-CG2 3.91Å; F65-L91 HydrophobicContact CB-CD1 4.3Å; F65-L91 HydrophobicContact CD2-CD1 4.21Å; F65-F93 HydrophobicContact CB-CD1 3.73Å; F65-F93 HydrophobicContact CB-CE1 3.96Å; F65-F93 HydrophobicContact CB-CG 4.26Å; F65-F93 AromaticContact CD1-CD1 3.97Å; F65-F93 HydrophobicContact CD1-CD1 3.97Å; F65-F93 AromaticContact CD1-CE1 3.61Å; F65-F93 HydrophobicContact CD1-CE1 3.61Å; F65-F93 HydrophobicContact CE1-CE1 4.39Å; F65-F93 HydrophobicContact CG-CD1 4.21Å; F65-F93 AromaticContact CG-CE1 3.98Å; F65-F93 HydrophobicContact CG-CE1 3.98Å
66R92.6Very high93.1Very high139 Ų13944.8 Ų44.853%0.52522%0.216SC..EExtended strand (participates in β ladder)trans-74.3111.5176.2-163.8177.8-174.3-164.40.6109.6G70 Y72R66-G70 WeakPolarHBondContact CG-O 3.17Å; R66-G70 PolarHBondContact NE-O 3.38Å; R66-Y72 HydrophobicContact CB-CD1 4.26Å; R66-Y72 HydrophobicContact CB-CE1 3.98Å
67H87.5Confident93.2Very high55 Ų5542.5 Ų42.526%0.25520%0.204SC..  trans-67.6158.6176.7-169.7-112.1000111F65 S69 G70 H71 V73F65-H67 PolarHBondContact O-N 3.41Å; H67-S69 PolarHBondContact ND1-N 3.48Å; H67-S69 PolarHBondContact ND1-OG 3.12Å; H67-S69 PolarHBondContact O-N 3.46Å; H67-G70 PolarHBondContact O-N 2.9Å; H67-H71 WeakPolarHBondContact CB-O 3.45Å; H67-H71 PolarHBondContact N-O 2.82Å; H67-V73 HydrophobicContact CB-CG1 4.02Å; H67-V73 HydrophobicContact CB-CG2 3.93Å
68H82.8Confident93.1Very high153 Ų15346.4 Ų46.471%0.70823%0.225SC*.THydrogen-bonded Turntrans-63.8-7.5179.87973.5000114.1
69S81.8Confident93Very high66 Ų6647.4 Ų47.446%0.46223%0.229SC..THydrogen-bonded Turntrans-95.715.9171.763.20000113.1H67 H71H67-S69 PolarHBondContact ND1-N 3.48Å; H67-S69 PolarHBondContact ND1-OG 3.12Å; H67-S69 PolarHBondContact O-N 3.46Å; S69-H71 VanDerWaalsContact C-N 3.28Å; S69-H71 PolarHBondContact O-CD2 3.05Å; S69-H71 PolarHBondContact O-N 3.18Å; S69-H71 VanDerWaalsContact O-N 3.16Å
70G83.4Confident92.9Very high21 Ų2148 Ų4822%0.21623%0.234CC..SBendtrans84.7-26172.700000116.3R66 H67R66-G70 WeakPolarHBondContact CG-O 3.17Å; R66-G70 PolarHBondContact NE-O 3.38Å; H67-G70 PolarHBondContact O-N 2.9Å
71H86.1Confident92.7Very high83 Ų8348 Ų4838%0.38423%0.234SC..SBendtrans-80.3153.6176.6-54.8-68.3000112.7H67 S69H67-H71 WeakPolarHBondContact CB-O 3.45Å; H67-H71 PolarHBondContact N-O 2.82Å; S69-H71 VanDerWaalsContact C-N 3.28Å; S69-H71 PolarHBondContact O-CD2 3.05Å; S69-H71 PolarHBondContact O-N 3.18Å; S69-H71 VanDerWaalsContact O-N 3.16Å
72Y90.7Very high92.4Very high86 Ų8650.5 Ų50.534%0.33725%0.25SC..EExtended strand (participates in β ladder)trans-76.9146.7168.3-72.1-88.6000111.7E64 F65 R66E64-Y72 HydrophobicContact CG-CD1 4.33Å; E64-Y72 VanDerWaalsContact OE2-CB 3.32Å; E64-Y72 WeakPolarHBondContact OE2-CB 3.24Å; F65-Y72 WeakPolarHBondContact O-CA 3.3Å; R66-Y72 HydrophobicContact CB-CD1 4.26Å; R66-Y72 HydrophobicContact CB-CE1 3.98Å
73V93Very high92.1Very high39 Ų3957.9 Ų57.924%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-140.7144.7175.2-61.20000110.8E64 F65 H67E64-V73 CarbonylContact C-O 3.59Å; E64-V73 VanDerWaalsContact CA-O 3.24Å; E64-V73 WeakPolarHBondContact CA-O 3.41Å; E64-V73 WeakPolarHBondContact CB-O 3.4Å; F65-V73 HydrophobicContact CD1-CG2 4.23Å; F65-V73 HydrophobicContact CD2-CG2 4.4Å; F65-V73 HydrophobicContact CE1-CG2 3.74Å; F65-V73 HydrophobicContact CE2-CG2 3.92Å; F65-V73 HydrophobicContact CZ-CG2 3.57Å; F65-V73 PolarHBondContact N-O 3.35Å; F65-V73 PolarHBondContact O-N 3.42Å; H67-V73 HydrophobicContact CB-CG1 4.02Å; H67-V73 HydrophobicContact CB-CG2 3.93Å
74W96Very high91.9Very high52 Ų5258.9 Ų58.920%0.19729%0.285CS..EExtended strand (participates in β ladder)trans-66.5142.1172-63.3107.9000112.1E64 E76 I96 K98E64-W74 HydrophobicContact CB-CE3 4.22Å; W74-E76 PolarHBondContact O-N 2.81Å; W74-I96 HydrophobicContact CH2-CG2 3.55Å; W74-I96 HydrophobicContact CZ3-CG2 3.45Å; W74-I96 VanDerWaalsContact CZ3-CG2 3.45Å; W74-K98 HydrophobicContact CD2-CD 4.18Å; W74-K98 HydrophobicContact CD2-CG 4.45Å; W74-K98 HydrophobicContact CE3-CD 3.98Å; W74-K98 HydrophobicContact CE3-CG 4.32Å; W74-K98 HydrophobicContact CH2-CB 3.58Å; W74-K98 HydrophobicContact CH2-CD 4.27Å; W74-K98 HydrophobicContact CH2-CG 3.7Å; W74-K98 HydrophobicContact CZ2-CB 4.2Å; W74-K98 HydrophobicContact CZ2-CD 4.46Å; W74-K98 HydrophobicContact CZ2-CG 3.85Å; W74-K98 HydrophobicContact CZ3-CB 3.82Å; W74-K98 HydrophobicContact CZ3-CD 4.03Å; W74-K98 HydrophobicContact CZ3-CG 3.95Å
75L96.7Very high91.6Very high4 Ų458.8 Ų58.82%0.02129%0.285CS..  trans-65121.1167.4177.962.7000110.5G42 F45 L63 L77 L81 F93G42-L75 WeakPolarHBondContact O-CD2 3.34Å; F45-L75 HydrophobicContact CD1-CD2 3.9Å; F45-L75 HydrophobicContact CE1-CD2 4.49Å; L63-L75 HydrophobicContact CB-CB 4.17Å; L63-L75 HydrophobicContact CB-CD2 4.05Å; L63-L75 HydrophobicContact CD1-CD2 3.94Å; L63-L75 VanDerWaalsContact O-CB 3.3Å; L63-L75 WeakPolarHBondContact O-CB 3.37Å; L63-L75 PolarHBondContact O-N 3.27Å; L75-L77 PolarHBondContact O-N 3.49Å; L75-L81 HydrophobicContact CD1-CD2 3.48Å; L75-L81 VanDerWaalsContact CD1-CD2 3.48Å; L75-L81 HydrophobicContact CD2-CD2 4.48Å; L75-F93 HydrophobicContact CD1-CE1 4.34Å; L75-F93 HydrophobicContact CD2-CE1 4.5Å
76E95.8Very high91.2Very high34 Ų3465.8 Ų65.816%0.15932%0.315CS..  trans-79.6114173.1-60-179.9-126.800109.4W74 L78 K79 Q84 K288 F318W74-E76 PolarHBondContact O-N 2.81Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 2.75Å; E76-K79 HydrophobicContact CB-CB 4.33Å; E76-K79 HydrophobicContact CB-CD 4.03Å; E76-K79 HydrophobicContact CB-CG 4.26Å; E76-K79 VanDerWaalsContact CD-CE 3.48Å; E76-K79 HydrophobicContact CG-CD 4.42Å; E76-K79 PolarHBondContact O-N 3.16Å; E76-K79 IonicContact OE1-NZ 2.8Å; E76-K79 PolarHBondContact OE1-NZ 2.79Å; E76-K79 WeakPolarHBondContact OE2-CE 3.32Å; E76-K79 IonicContact OE2-NZ 2.75Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; E76-Q84 VanDerWaalsContact CB-OE1 3.28Å; E76-Q84 PolarHBondContact O-NE2 3.36Å; E76-K288 IonicContact OE1-NZ 2.6Å; E76-K288 PolarHBondContact OE1-NZ 3.13Å; E76-K288 IonicContact OE2-NZ 3.52Å; E76-K288 PolarHBondContact OE2-NZ 3.28Å; E76-F318 HydrophobicContact CG-CE2 4.29Å
77L95.8Very high90.6Very high46 Ų4664.7 Ų64.724%0.24131%0.312CS..THydrogen-bonded Turntrans-61.8-41.3-173.3-54-174.5000112.5G42 G43 F46 L75 K79G42-L77 PolarHBondContact N-O 3.44Å; G43-L77 PolarHBondContact N-O 3.21Å; F46-L77 HydrophobicContact CB-CD2 3.94Å; F46-L77 HydrophobicContact CD1-CD1 4.42Å; F46-L77 HydrophobicContact CD1-CD2 4.13Å; F46-L77 HydrophobicContact CG-CD2 4.15Å; L75-L77 PolarHBondContact O-N 3.49Å; L77-K79 PolarHBondContact O-N 2.68Å
78L94.3Very high90.2Very high84 Ų8464.9 Ų64.944%0.4432%0.317SS..THydrogen-bonded Turntrans-77.123.3-179.1-62178.3000114.8E76 R319E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 2.75Å; L78-R319 HydrophobicContact CD1-CG 3.65Å
79K94.4Very high89.9Confident78 Ų7865 Ų6534%0.33932%0.323SS..SBendtrans-134.4138.6-179.9-77-173.7-179173.30112.8G42 E76 L77 Q84G42-K79 PolarHBondContact N-O 2.92Å; E76-K79 HydrophobicContact CB-CB 4.33Å; E76-K79 HydrophobicContact CB-CD 4.03Å; E76-K79 HydrophobicContact CB-CG 4.26Å; E76-K79 VanDerWaalsContact CD-CE 3.48Å; E76-K79 HydrophobicContact CG-CD 4.42Å; E76-K79 PolarHBondContact O-N 3.16Å; E76-K79 IonicContact OE1-NZ 2.8Å; E76-K79 PolarHBondContact OE1-NZ 2.79Å; E76-K79 WeakPolarHBondContact OE2-CE 3.32Å; E76-K79 IonicContact OE2-NZ 2.75Å; E76-K79 PolarHBondContact OE2-NZ 3.32Å; L77-K79 PolarHBondContact O-N 2.68Å; K79-Q84 HydrophobicContact CB-CG 3.97Å; K79-Q84 HydrophobicContact CD-CG 4.17Å; K79-Q84 PolarHBondContact O-NE2 2.71Å
80P94.9Very high90Very high27 Ų2768.2 Ų68.218%0.17534%0.335CS..BIsolated β-bridgetrans-54.5138.5167.6-27.335.2000112.7V40 L41 V82 K83V40-P80 CarbonylContact O-C 3.47Å; V40-P80 VanDerWaalsContact O-CA 3.29Å; V40-P80 WeakPolarHBondContact O-CA 3.34Å; L41-P80 HydrophobicContact CD2-CG 3.85Å; P80-V82 VanDerWaalsContact C-N 3.33Å; P80-V82 HydrophobicContact CB-CG2 4.01Å; P80-V82 PolarHBondContact O-N 2.78Å; P80-K83 HydrophobicContact CB-CD 4.31Å; P80-K83 HydrophobicContact CB-CG 4.45Å; P80-K83 HydrophobicContact CG-CD 4.17Å; P80-K83 PolarHBondContact O-N 3.38Å
81L93.6Very high90.4Very high0 Ų068.1 Ų68.10%033%0.329CS..G310 helixtrans-57.7-42.4-178.7-67.7-171.6000112.9L22 V36 V40 F45 L75 K83 Q84 I85L22-L81 HydrophobicContact CD1-CD1 3.42Å; L22-L81 VanDerWaalsContact CD1-CD1 3.42Å; V36-L81 HydrophobicContact CG2-CD1 4.22Å; V40-L81 HydrophobicContact CG1-CB 4.38Å; V40-L81 HydrophobicContact CG1-CD1 3.44Å; V40-L81 VanDerWaalsContact CG1-CD1 3.44Å; V40-L81 HydrophobicContact CG1-CG 3.69Å; V40-L81 PolarHBondContact O-N 3.29Å; F45-L81 HydrophobicContact CB-CD1 4.04Å; F45-L81 HydrophobicContact CD1-CD1 3.91Å; F45-L81 HydrophobicContact CD1-CD2 4.16Å; F45-L81 HydrophobicContact CG-CD1 4.01Å; L75-L81 HydrophobicContact CD1-CD2 3.48Å; L75-L81 VanDerWaalsContact CD1-CD2 3.48Å; L75-L81 HydrophobicContact CD2-CD2 4.48Å; L81-K83 PolarHBondContact O-N 3.15Å; L81-Q84 PolarHBondContact O-N 3.16Å; L81-I85 HydrophobicContact CB-CD1 4.34Å; L81-I85 HydrophobicContact CB-CG1 4.33Å; L81-I85 VanDerWaalsContact O-CG1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.38Å; L81-I85 PolarHBondContact O-N 2.99Å
82V91.9Very high90.8Very high57 Ų5766.2 Ų66.235%0.34532%0.32SS..G310 helixtrans-55.8-11.8173.9-78.80000115.3Q38 P80Q38-V82 HydrophobicContact CB-CG1 3.9Å; Q38-V82 HydrophobicContact CG-CG1 3.62Å; Q38-V82 VanDerWaalsContact O-CG1 3.23Å; Q38-V82 WeakPolarHBondContact O-CG1 3.47Å; Q38-V82 WeakPolarHBondContact O-CG2 3.21Å; P80-V82 VanDerWaalsContact C-N 3.33Å; P80-V82 HydrophobicContact CB-CG2 4.01Å; P80-V82 PolarHBondContact O-N 2.78Å
83K92.7Very high91.2Very high160 Ų16062.1 Ų62.170%0.69630%0.304SS*.G310 helixtrans-104.18.6175.2-63175.6-176.5169.30113.1P80 L81P80-K83 HydrophobicContact CB-CD 4.31Å; P80-K83 HydrophobicContact CB-CG 4.45Å; P80-K83 HydrophobicContact CG-CD 4.17Å; P80-K83 PolarHBondContact O-N 3.38Å; L81-K83 PolarHBondContact O-N 3.15Å
84Q92.5Very high91.4Very high25 Ų2564.6 Ų64.612%0.11731%0.309CS..THydrogen-bonded Turntrans-131.9-46.7-175.1-56-165.17300112.7F65 E76 K79 L81F65-Q84 HydrophobicContact CZ-CB 4.35Å; E76-Q84 VanDerWaalsContact CB-OE1 3.28Å; E76-Q84 PolarHBondContact O-NE2 3.36Å; K79-Q84 HydrophobicContact CB-CG 3.97Å; K79-Q84 HydrophobicContact CD-CG 4.17Å; K79-Q84 PolarHBondContact O-NE2 2.71Å; L81-Q84 PolarHBondContact O-N 3.16Å
85I91.6Very high91.5Very high18 Ų1862.3 Ų62.39%0.09230%0.3CS..  trans-98.2144.1-179.457.4166.8000111.7L20 L22 F65 L81 L91 F93L20-I85 HydrophobicContact CD1-CD1 4.23Å; L22-I85 HydrophobicContact CD2-CD1 3.87Å; F65-I85 HydrophobicContact CD1-CG2 4.42Å; F65-I85 HydrophobicContact CD2-CG2 3.97Å; F65-I85 HydrophobicContact CE1-CG2 4.24Å; F65-I85 HydrophobicContact CE2-CG2 3.77Å; F65-I85 HydrophobicContact CG-CG2 4.29Å; F65-I85 HydrophobicContact CZ-CG2 3.91Å; L81-I85 HydrophobicContact CB-CD1 4.34Å; L81-I85 HydrophobicContact CB-CG1 4.33Å; L81-I85 VanDerWaalsContact O-CG1 3.31Å; L81-I85 WeakPolarHBondContact O-CG1 3.38Å; L81-I85 PolarHBondContact O-N 2.99Å; I85-L91 HydrophobicContact CB-CD2 3.84Å; I85-L91 HydrophobicContact CD1-CD2 3.64Å; I85-L91 HydrophobicContact CG1-CD2 4.29Å; I85-L91 HydrophobicContact CG2-CD1 4.36Å; I85-L91 HydrophobicContact CG2-CD2 4.08Å; I85-F93 HydrophobicContact CG2-CE1 4.3Å; I85-F93 HydrophobicContact CG2-CZ 3.8Å
86K87.9Confident91.6Very high155 Ų15562.9 Ų62.967%0.67430%0.303SS*.  trans-95.6115.1156.5-176.7-179.2178.7-176.30106.4T88K86-T88 HydrophobicContact CG-CG2 4.43Å; K86-T88 PolarHBondContact O-N 2.91Å
87Y78.7Confident91.7Very high116 Ų11661.4 Ų61.446%0.45530%0.297SS..  trans-68.4124.3-179.7-169-95.8000110.4L20 R21 L22 L91L20-Y87 HydrophobicContact CB-CE2 4.28Å; L20-Y87 HydrophobicContact CD2-CD2 3.94Å; L20-Y87 HydrophobicContact CD2-CE2 4.18Å; L20-Y87 HydrophobicContact CD2-CG 4.29Å; R21-Y87 PolarHBondContact O-OH 2.9Å; L22-Y87 HydrophobicContact CD2-CD2 4.09Å; L22-Y87 HydrophobicContact CD2-CE2 3.97Å; Y87-L91 HydrophobicContact CD2-CD2 4.4Å
88T79.5Confident91.8Very high59 Ų5960 Ų6036%0.36229%0.289SS..  trans-147.2154.5179.951.30000108.1K86 D90 L91K86-T88 HydrophobicContact CG-CG2 4.43Å; K86-T88 PolarHBondContact O-N 2.91Å; T88-D90 PolarHBondContact O-N 2.85Å; T88-D90 VanDerWaalsContact O-N 3.15Å; T88-L91 VanDerWaalsContact O-CB 3.22Å; T88-L91 WeakPolarHBondContact O-CB 3.28Å; T88-L91 PolarHBondContact O-N 3.4Å
89N76.3Confident91.9Very high156 Ų15656.1 Ų56.183%0.83427%0.268SS*.THydrogen-bonded Turntrans-59.1-30.4-178.7-63.4-4000112.7L91N89-L91 VanDerWaalsContact C-N 3.28Å; N89-L91 PolarHBondContact O-N 2.87Å
90D83.7Confident92Very high132 Ų13252.9 Ų52.971%0.70625%0.254SS*.THydrogen-bonded Turntrans-83.65.2178.6-40.8-69.7000114T88 F92T88-D90 PolarHBondContact O-N 2.85Å; T88-D90 VanDerWaalsContact O-N 3.15Å; D90-F92 WeakPolarHBondContact O-CD1 3.36Å; D90-F92 PolarHBondContact O-N 2.85Å
91L92.1Very high92Very high19 Ų1951.6 Ų51.610%0.09925%0.246CC..  trans-77.1115.7-179.4179.464.7000110.9L22 F65 I85 Y87 T88 N89L22-L91 HydrophobicContact CD2-CD2 4.34Å; F65-L91 HydrophobicContact CB-CD1 4.3Å; F65-L91 HydrophobicContact CD2-CD1 4.21Å; I85-L91 HydrophobicContact CB-CD2 3.84Å; I85-L91 HydrophobicContact CD1-CD2 3.64Å; I85-L91 HydrophobicContact CG1-CD2 4.29Å; I85-L91 HydrophobicContact CG2-CD1 4.36Å; I85-L91 HydrophobicContact CG2-CD2 4.08Å; Y87-L91 HydrophobicContact CD2-CD2 4.4Å; T88-L91 VanDerWaalsContact O-CB 3.22Å; T88-L91 WeakPolarHBondContact O-CB 3.28Å; T88-L91 PolarHBondContact O-N 3.4Å; N89-L91 VanDerWaalsContact C-N 3.28Å; N89-L91 PolarHBondContact O-N 2.87Å
92F95.4Very high91.9Very high43 Ų4354 Ų5419%0.18926%0.261CS..EExtended strand (participates in β ladder)trans-131.8157.4167.165.2-85000110.5R23 I25 D90 R94R23-F92 HydrophobicContact CB-CB 4.26Å; R23-F92 HydrophobicContact CG-CB 4.49Å; R23-F92 CarbonylContact O-C 3.54Å; R23-F92 WeakPolarHBondContact O-CA 3.23Å; I25-F92 HydrophobicContact CD1-CD2 3.45Å; I25-F92 VanDerWaalsContact CD1-CD2 3.45Å; I25-F92 HydrophobicContact CD1-CE2 3.77Å; I25-F92 HydrophobicContact CD1-CG 4.06Å; I25-F92 HydrophobicContact CG1-CD2 3.91Å; I25-F92 HydrophobicContact CG1-CG 4.48Å; D90-F92 WeakPolarHBondContact O-CD1 3.36Å; D90-F92 PolarHBondContact O-N 2.85Å; F92-R94 HydrophobicContact CD2-CG 4.17Å; F92-R94 HydrophobicContact CE2-CG 3.84Å
93F98Very high91.8Very high0 Ų053.9 Ų53.90%026%0.259CS..EExtended strand (participates in β ladder)trans-104150.2167.5-61.5-99.7000109.7L22 R23 V24 I25 F45 L63 E64 F65 L75 I85L22-F93 HydrophobicContact CB-CE2 4.18Å; L22-F93 HydrophobicContact CD1-CE2 4.11Å; L22-F93 HydrophobicContact CD2-CE2 4.29Å; L22-F93 HydrophobicContact CG-CE2 4.43Å; R23-F93 PolarHBondContact O-N 2.69Å; V24-F93 CarbonylContact C-O 3.44Å; V24-F93 WeakPolarHBondContact CA-O 3.37Å; V24-F93 HydrophobicContact CG2-CB 4.39Å; I25-F93 PolarHBondContact N-O 3.23Å; F45-F93 HydrophobicContact CD1-CZ 4.4Å; F45-F93 HydrophobicContact CE1-CD1 4.19Å; F45-F93 AromaticContact CE1-CD2 3.75Å; F45-F93 HydrophobicContact CE1-CD2 3.75Å; F45-F93 HydrophobicContact CE1-CE1 4.02Å; F45-F93 AromaticContact CE1-CE2 3.57Å; F45-F93 HydrophobicContact CE1-CE2 3.57Å; F45-F93 HydrophobicContact CE1-CG 4.06Å; F45-F93 AromaticContact CE1-CZ 3.7Å; F45-F93 HydrophobicContact CE1-CZ 3.7Å; F45-F93 AromaticContact CZ-CD2 3.95Å; F45-F93 HydrophobicContact CZ-CD2 3.95Å; F45-F93 HydrophobicContact CZ-CE2 4.01Å; F45-F93 HydrophobicContact CZ-CG 4.49Å; L63-F93 HydrophobicContact CB-CB 4.42Å; L63-F93 HydrophobicContact CB-CD1 4.08Å; L63-F93 HydrophobicContact CD2-CB 3.9Å; E64-F93 CarbonylContact O-C 3.59Å; E64-F93 WeakPolarHBondContact O-CA 3.36Å; F65-F93 HydrophobicContact CB-CD1 3.73Å; F65-F93 HydrophobicContact CB-CE1 3.96Å; F65-F93 HydrophobicContact CB-CG 4.26Å; F65-F93 AromaticContact CD1-CD1 3.97Å; F65-F93 HydrophobicContact CD1-CD1 3.97Å; F65-F93 AromaticContact CD1-CE1 3.61Å; F65-F93 HydrophobicContact CD1-CE1 3.61Å; F65-F93 HydrophobicContact CE1-CE1 4.39Å; F65-F93 HydrophobicContact CG-CD1 4.21Å; F65-F93 AromaticContact CG-CE1 3.98Å; F65-F93 HydrophobicContact CG-CE1 3.98Å; L75-F93 HydrophobicContact CD1-CE1 4.34Å; L75-F93 HydrophobicContact CD2-CE1 4.5Å; I85-F93 HydrophobicContact CG2-CE1 4.3Å; I85-F93 HydrophobicContact CG2-CZ 3.8Å
94R98.1Very high91.4Very high92 Ų9246.6 Ų46.635%0.34723%0.228SC..EExtended strand (participates in β ladder)trans-104127.8164.3-57.7-165.6-66.7-163.23.4108.6L63 E64 F92L63-R94 WeakPolarHBondContact CA-O 3.43Å; E64-R94 HydrophobicContact CG-CB 4.02Å; E64-R94 PolarHBondContact N-O 3.28Å; E64-R94 PolarHBondContact O-N 3.43Å; E64-R94 IonicContact OE1-CZ 2.7Å; E64-R94 IonicContact OE1-NE 3.81Å; E64-R94 PolarHBondContact OE1-NE 2.8Å; E64-R94 IonicContact OE1-NH2 3.92Å; E64-R94 PolarHBondContact OE1-NH2 2.83Å; E64-R94 IonicContact OE2-NH2 3.26Å; F92-R94 HydrophobicContact CD2-CG 4.17Å; F92-R94 HydrophobicContact CE2-CG 3.84Å
95F98.6Very high91.1Very high3 Ų347.2 Ų47.21%0.01324%0.241CC..EExtended strand (participates in β ladder)trans-83.6121.8166.6179.8-89.8000108.1V24 I25 F26 L27 F46 V49 L53 L55 F61 L63 L115V24-F95 HydrophobicContact CG1-CB 4.04Å; I25-F95 PolarHBondContact O-N 2.76Å; F26-F95 HydrophobicContact CD1-CB 3.67Å; F26-F95 AromaticContact CD1-CD1 3.95Å; F26-F95 HydrophobicContact CD1-CD1 3.95Å; F26-F95 AromaticContact CD1-CG 3.82Å; F26-F95 HydrophobicContact CD1-CG 3.82Å; F26-F95 HydrophobicContact CE1-CB 4.06Å; F26-F95 HydrophobicContact CE1-CD2 4.48Å; F26-F95 HydrophobicContact CE1-CG 4.13Å; L27-F95 HydrophobicContact CD1-CD1 4.27Å; L27-F95 HydrophobicContact CD1-CE1 4.32Å; L27-F95 HydrophobicContact CG-CD1 4.41Å; F46-F95 HydrophobicContact CE2-CD2 4.48Å; F46-F95 HydrophobicContact CE2-CE2 4.09Å; V49-F95 HydrophobicContact CG1-CD2 4.01Å; L53-F95 HydrophobicContact CD1-CD1 4.28Å; L53-F95 HydrophobicContact CD1-CE1 3.84Å; L53-F95 HydrophobicContact CD1-CE2 4.23Å; L53-F95 HydrophobicContact CD1-CZ 3.82Å; L55-F95 HydrophobicContact CD2-CE2 4.44Å; L55-F95 HydrophobicContact CD2-CZ 3.66Å; F61-F95 HydrophobicContact CB-CE1 4.21Å; F61-F95 HydrophobicContact CB-CE2 3.79Å; F61-F95 HydrophobicContact CB-CZ 3.49Å; F61-F95 VanDerWaalsContact CB-CZ 3.49Å; F61-F95 HydrophobicContact CD1-CD1 4.41Å; F61-F95 AromaticContact CD1-CE1 3.44Å; F61-F95 HydrophobicContact CD1-CE1 3.44Å; F61-F95 VanDerWaalsContact CD1-CE1 3.44Å; F61-F95 AromaticContact CD1-CZ 3.53Å; F61-F95 HydrophobicContact CD1-CZ 3.53Å; F61-F95 HydrophobicContact CD2-CZ 4.21Å; F61-F95 AromaticContact CE1-CE1 3.99Å; F61-F95 HydrophobicContact CE1-CE1 3.99Å; F61-F95 HydrophobicContact CE1-CZ 4.31Å; F61-F95 AromaticContact CG-CE1 3.92Å; F61-F95 HydrophobicContact CG-CE1 3.92Å; F61-F95 HydrophobicContact CG-CE2 4.28Å; F61-F95 AromaticContact CG-CZ 3.47Å; F61-F95 HydrophobicContact CG-CZ 3.47Å; F61-F95 VanDerWaalsContact CG-CZ 3.47Å; L63-F95 HydrophobicContact CD2-CB 4.01Å; L63-F95 HydrophobicContact CD2-CD2 4.29Å; F95-L115 HydrophobicContact CE1-CD1 4.44Å
96I97.8Very high90.9Very high17 Ų1748.5 Ų48.59%0.08725%0.247CC..EExtended strand (participates in β ladder)trans-148.9152.2-165.5-167.2176.6000110.2F61 G62 E64 W74 K98F61-I96 WeakPolarHBondContact CA-O 3.45Å; G62-I96 PolarHBondContact N-O 2.98Å; G62-I96 PolarHBondContact O-N 3.05Å; E64-I96 HydrophobicContact CG-CG2 4.02Å; W74-I96 HydrophobicContact CH2-CG2 3.55Å; W74-I96 HydrophobicContact CZ3-CG2 3.45Å; W74-I96 VanDerWaalsContact CZ3-CG2 3.45Å; I96-K98 PolarHBondContact O-N 3.2Å
97V98.1Very high91.2Very high3 Ų341.2 Ų41.22%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-65.6130172.7178.90000109.3L27 F61 F100 F116 Q119L27-V97 HydrophobicContact CD1-CG2 4.35Å; F61-V97 HydrophobicContact CD1-CG2 3.95Å; F61-V97 HydrophobicContact CE1-CG2 3.62Å; F61-V97 HydrophobicContact CZ-CG2 4.47Å; V97-F100 HydrophobicContact CB-CE1 4.29Å; V97-F100 HydrophobicContact CB-CE2 4.01Å; V97-F100 HydrophobicContact CB-CZ 3.77Å; V97-F100 HydrophobicContact CG1-CD1 4.12Å; V97-F100 HydrophobicContact CG1-CD2 3.84Å; V97-F100 HydrophobicContact CG1-CE1 3.87Å; V97-F100 HydrophobicContact CG1-CE2 3.57Å; V97-F100 HydrophobicContact CG1-CG 4.11Å; V97-F100 HydrophobicContact CG1-CZ 3.59Å; V97-F116 HydrophobicContact CG1-CD1 4.3Å; V97-F116 HydrophobicContact CG1-CE1 3.59Å; V97-F116 HydrophobicContact CG1-CE2 4.06Å; V97-F116 HydrophobicContact CG1-CZ 3.46Å; V97-F116 VanDerWaalsContact CG1-CZ 3.46Å; V97-F116 HydrophobicContact CG2-CD1 4.37Å; V97-F116 HydrophobicContact CG2-CD2 4.08Å; V97-F116 HydrophobicContact CG2-CE1 4.39Å; V97-F116 HydrophobicContact CG2-CE2 4.12Å; V97-F116 HydrophobicContact CG2-CG 4.24Å; V97-F116 HydrophobicContact CG2-CZ 4.28Å; V97-Q119 HydrophobicContact CB-CB 4.43Å; V97-Q119 HydrophobicContact CB-CG 3.84Å; V97-Q119 HydrophobicContact CG2-CB 3.67Å; V97-Q119 HydrophobicContact CG2-CG 3.65Å
98K97.4Very high91.8Very high16 Ų1640.9 Ų40.97%0.0722%0.216CC..  trans-105.4-38.2-177.8-176.9170.5-178.21770113.1Y60 W74 I96 E292 Y293Y60-K98 WeakPolarHBondContact O-CA 3.25Å; Y60-K98 PolarHBondContact O-N 2.91Å; W74-K98 HydrophobicContact CD2-CD 4.18Å; W74-K98 HydrophobicContact CD2-CG 4.45Å; W74-K98 HydrophobicContact CE3-CD 3.98Å; W74-K98 HydrophobicContact CE3-CG 4.32Å; W74-K98 HydrophobicContact CH2-CB 3.58Å; W74-K98 HydrophobicContact CH2-CD 4.27Å; W74-K98 HydrophobicContact CH2-CG 3.7Å; W74-K98 HydrophobicContact CZ2-CB 4.2Å; W74-K98 HydrophobicContact CZ2-CD 4.46Å; W74-K98 HydrophobicContact CZ2-CG 3.85Å; W74-K98 HydrophobicContact CZ3-CB 3.82Å; W74-K98 HydrophobicContact CZ3-CD 4.03Å; W74-K98 HydrophobicContact CZ3-CG 3.95Å; I96-K98 PolarHBondContact O-N 3.2Å; K98-E292 VanDerWaalsContact CE-OE2 3.31Å; K98-E292 WeakPolarHBondContact CE-OE2 3.35Å; K98-E292 IonicContact NZ-OE1 3.31Å; K98-E292 PolarHBondContact NZ-OE1 3Å; K98-E292 IonicContact NZ-OE2 2.78Å; K98-E292 PolarHBondContact NZ-OE2 2.97Å; K98-Y293 WeakPolarHBondContact O-CE2 3.29Å; K98-Y293 VanDerWaalsContact O-CZ 3.31Å; K98-Y293 PolarHBondContact O-OH 3.07Å
99F97.6Very high92.5Very high3 Ų341.5 Ų41.51%0.01321%0.212CC..  trans-125.8123.5179.7-54-76.2000110.2E59 Y60 E292 Y293 F296 F297 Y320E59-F99 WeakPolarHBondContact O-CD2 3.39Å; E59-F99 WeakPolarHBondContact O-CE2 3.37Å; Y60-F99 HydrophobicContact CD1-CB 4.45Å; Y60-F99 PolarHBondContact O-N 3.48Å; F99-E292 HydrophobicContact CE1-CB 4.08Å; F99-E292 HydrophobicContact CZ-CB 4.01Å; F99-Y293 HydrophobicContact CD1-CD1 4.12Å; F99-Y293 AromaticContact CD1-CD2 3.6Å; F99-Y293 HydrophobicContact CD1-CD2 3.6Å; F99-Y293 HydrophobicContact CD1-CE1 4.11Å; F99-Y293 AromaticContact CD1-CE2 3.55Å; F99-Y293 HydrophobicContact CD1-CE2 3.55Å; F99-Y293 AromaticContact CD1-CG 3.89Å; F99-Y293 HydrophobicContact CD1-CG 3.89Å; F99-Y293 AromaticContact CD1-CZ 3.83Å; F99-Y293 AromaticContact CE1-CD2 3.57Å; F99-Y293 HydrophobicContact CE1-CD2 3.57Å; F99-Y293 AromaticContact CE1-CE2 3.86Å; F99-Y293 HydrophobicContact CE1-CE2 3.86Å; F99-Y293 HydrophobicContact CE1-CG 4.05Å; F99-F296 HydrophobicContact CB-CD1 3.76Å; F99-F296 HydrophobicContact CB-CE1 3.75Å; F99-F296 HydrophobicContact CD1-CB 4.37Å; F99-F296 HydrophobicContact CD1-CD1 4.01Å; F99-F296 HydrophobicContact CD1-CG 4.44Å; F99-F296 AromaticContact CD2-CD1 3.92Å; F99-F296 HydrophobicContact CD2-CD1 3.92Å; F99-F296 HydrophobicContact CD2-CE1 4.21Å; F99-F296 HydrophobicContact CD2-CG 4.16Å; F99-F296 HydrophobicContact CE1-CB 4.14Å; F99-F296 HydrophobicContact CE2-CB 4.44Å; F99-F296 HydrophobicContact CE2-CD1 4.49Å; F99-F296 HydrophobicContact CE2-CG 4.3Å; F99-F296 AromaticContact CG-CD1 3.64Å; F99-F296 HydrophobicContact CG-CD1 3.64Å; F99-F296 HydrophobicContact CG-CE1 4.05Å; F99-F296 HydrophobicContact CG-CG 4.22Å; F99-F296 HydrophobicContact CZ-CB 4.17Å; F99-F296 HydrophobicContact CZ-CG 4.5Å; F99-F297 HydrophobicContact CB-CE2 3.81Å; F99-F297 HydrophobicContact CB-CZ 3.81Å; F99-F297 HydrophobicContact CD1-CE2 4.03Å; F99-F297 HydrophobicContact CG-CE2 4.31Å; F99-Y320 HydrophobicContact CE2-CE2 4.2Å; F99-Y320 AromaticContact CZ-CE2 3.94Å; F99-Y320 HydrophobicContact CZ-CE2 3.94Å
100F96.7Very high93.3Very high9 Ų935.1 Ų35.14%0.03918%0.183CC..  trans-100.9112.8178.8-69.3-102.5000110V97 F116 Q119 Y205 G206 H226 F297V97-F100 HydrophobicContact CB-CE1 4.29Å; V97-F100 HydrophobicContact CB-CE2 4.01Å; V97-F100 HydrophobicContact CB-CZ 3.77Å; V97-F100 HydrophobicContact CG1-CD1 4.12Å; V97-F100 HydrophobicContact CG1-CD2 3.84Å; V97-F100 HydrophobicContact CG1-CE1 3.87Å; V97-F100 HydrophobicContact CG1-CE2 3.57Å; V97-F100 HydrophobicContact CG1-CG 4.11Å; V97-F100 HydrophobicContact CG1-CZ 3.59Å; F100-F116 HydrophobicContact CD1-CD1 4.31Å; F100-F116 AromaticContact CD1-CE1 3.91Å; F100-F116 HydrophobicContact CD1-CE1 3.91Å; F100-F116 HydrophobicContact CE1-CE1 4.38Å; F100-F116 HydrophobicContact CG-CE1 4.4Å; F100-Q119 HydrophobicContact CE1-CG 4.01Å; F100-Q119 HydrophobicContact CZ-CG 3.74Å; F100-Y205 HydrophobicContact CB-CE1 4.05Å; F100-Y205 HydrophobicContact CD1-CE1 4.43Å; F100-Y205 HydrophobicContact CD1-CE2 4.05Å; F100-Y205 AromaticContact CD1-CZ 3.96Å; F100-G206 VanDerWaalsContact CD2-CA 3.41Å; F100-G206 VanDerWaalsContact CG-CA 3.45Å; F100-H226 PolarHBondContact O-ND1 3.08Å; F100-F297 WeakPolarHBondContact O-CZ 3.41Å
101P94Very high93.9Very high0 Ų029.7 Ų29.70%015%0.154CC..  trans-67.3153.4174.928.9-33.6000111Y60 D103 Q106 L107 Y205Y60-P101 HydrophobicContact CE1-CB 4.24Å; Y60-P101 HydrophobicContact CE1-CG 4.1Å; P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 3.45Å; P101-Q106 HydrophobicContact CB-CB 4.44Å; P101-Q106 VanDerWaalsContact CB-OE1 3.28Å; P101-L107 HydrophobicContact CG-CD2 3.87Å; P101-L107 HydrophobicContact CG-CG 4.2Å; P101-Y205 WeakPolarHBondContact O-CE1 3.47Å; P101-Y205 PolarHBondContact O-OH 3.45Å
102P91.1Very high94.1Very high51 Ų5128.8 Ų28.833%0.33115%0.149SC..SBendtrans-64.3-30.9176.625.5-33.2000112.9
103D89.8Confident94.2Very high55 Ų5529.6 Ų29.629%0.29415%0.151SC..  trans-122.9120.6179.816642.2000110P101 G105 Q106P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 3.45Å; D103-G105 VanDerWaalsContact CG-N 3.28Å; D103-G105 PolarHBondContact O-N 2.83Å; D103-G105 WeakPolarHBondContact OD1-CA 3.5Å; D103-G105 PolarHBondContact OD1-N 3.15Å; D103-G105 VanDerWaalsContact OD2-CA 3.28Å; D103-G105 WeakPolarHBondContact OD2-CA 3.43Å; D103-G105 PolarHBondContact OD2-N 2.99Å; D103-Q106 HydrophobicContact CB-CG 4.04Å; D103-Q106 VanDerWaalsContact O-CB 3.26Å; D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 WeakPolarHBondContact O-CG 3.32Å; D103-Q106 PolarHBondContact O-N 3.47Å; D103-Q106 VanDerWaalsContact O-N 3.11Å; D103-Q106 PolarHBondContact OD2-N 3.24Å; D103-Q106 VanDerWaalsContact OD2-N 3.17Å
104P84.6Confident94.2Very high6 Ų630 Ų304%0.03915%0.152CC..G310 helixtrans-69.5-15.5173.731.2-35.8000112.5Q106 L107 L196P104-Q106 PolarHBondContact O-N 2.99Å; P104-L107 HydrophobicContact CB-CD1 4.48Å; P104-L107 VanDerWaalsContact O-CB 3.29Å; P104-L107 WeakPolarHBondContact O-CB 3.4Å; P104-L107 PolarHBondContact O-N 2.85Å; P104-L196 HydrophobicContact CB-CB 3.77Å; P104-L196 HydrophobicContact CB-CD1 4.02Å; P104-L196 HydrophobicContact CB-CG 4.49Å; P104-L196 HydrophobicContact CG-CB 3.92Å
105G85.6Confident94.2Very high39 Ų3925.7 Ų25.740%0.40214%0.136SC..G310 helixtrans-61.4-16.7166.600000113.7D103 L107 K108D103-G105 VanDerWaalsContact CG-N 3.28Å; D103-G105 PolarHBondContact O-N 2.83Å; D103-G105 WeakPolarHBondContact OD1-CA 3.5Å; D103-G105 PolarHBondContact OD1-N 3.15Å; D103-G105 VanDerWaalsContact OD2-CA 3.28Å; D103-G105 WeakPolarHBondContact OD2-CA 3.43Å; D103-G105 PolarHBondContact OD2-N 2.99Å; G105-L107 VanDerWaalsContact C-N 3.32Å; G105-K108 PolarHBondContact O-NZ 3.39Å
106Q88.6Confident94.2Very high45 Ų4525.5 Ų25.521%0.2114%0.135CC..G310 helixtrans-71.4-24.5169.6-61.2176-600112.5P101 D103 P104 K108P101-Q106 HydrophobicContact CB-CB 4.44Å; P101-Q106 VanDerWaalsContact CB-OE1 3.28Å; D103-Q106 HydrophobicContact CB-CG 4.04Å; D103-Q106 VanDerWaalsContact O-CB 3.26Å; D103-Q106 WeakPolarHBondContact O-CB 3.43Å; D103-Q106 WeakPolarHBondContact O-CG 3.32Å; D103-Q106 PolarHBondContact O-N 3.47Å; D103-Q106 VanDerWaalsContact O-N 3.11Å; D103-Q106 PolarHBondContact OD2-N 3.24Å; D103-Q106 VanDerWaalsContact OD2-N 3.17Å; P104-Q106 PolarHBondContact O-N 2.99Å; Q106-K108 WeakPolarHBondContact O-CD 3.35Å; Q106-K108 WeakPolarHBondContact O-CE 3.09Å; Q106-K108 PolarHBondContact O-N 3.44Å
107L93.5Very high94.2Very high1 Ų124.9 Ų24.91%0.00513%0.132CC..  trans-79.4105.3177.1-52.9177.9000110Y60 P101 P104 G105 T112 R113 F116 L196Y60-L107 HydrophobicContact CD1-CD2 4.38Å; Y60-L107 HydrophobicContact CD2-CD2 3.7Å; Y60-L107 HydrophobicContact CE1-CD2 4.15Å; Y60-L107 HydrophobicContact CE2-CD2 3.42Å; Y60-L107 VanDerWaalsContact CE2-CD2 3.42Å; Y60-L107 HydrophobicContact CG-CD2 4.19Å; P101-L107 HydrophobicContact CG-CD2 3.87Å; P101-L107 HydrophobicContact CG-CG 4.2Å; P104-L107 HydrophobicContact CB-CD1 4.48Å; P104-L107 VanDerWaalsContact O-CB 3.29Å; P104-L107 WeakPolarHBondContact O-CB 3.4Å; P104-L107 PolarHBondContact O-N 2.85Å; G105-L107 VanDerWaalsContact C-N 3.32Å; L107-T112 HydrophobicContact CB-CG2 4.21Å; L107-T112 HydrophobicContact CD1-CG2 4.45Å; L107-T112 HydrophobicContact CD2-CG2 3.9Å; L107-T112 HydrophobicContact CG-CG2 4.42Å; L107-R113 HydrophobicContact CB-CG 3.74Å; L107-R113 HydrophobicContact CD1-CG 4.28Å; L107-R113 PolarHBondContact O-NH1 2.9Å; L107-F116 HydrophobicContact CD1-CB 4.05Å; L107-F116 HydrophobicContact CD1-CD1 3.9Å; L107-F116 HydrophobicContact CD1-CD2 3.6Å; L107-F116 HydrophobicContact CD1-CE1 4.19Å; L107-F116 HydrophobicContact CD1-CE2 3.91Å; L107-F116 HydrophobicContact CD1-CG 3.58Å; L107-F116 HydrophobicContact CD1-CZ 4.18Å; L107-F116 HydrophobicContact CD2-CD2 4.41Å; L107-F116 HydrophobicContact CD2-CE2 3.92Å; L107-F116 HydrophobicContact CD2-CZ 4.09Å; L107-L196 HydrophobicContact CD1-CD1 4.48Å
108K91.5Very high94.2Very high109 Ų10924.9 Ų24.947%0.47413%0.132SC..  trans-87.5-32.6-168.1-48.7-56.8179.5-177.10113.8E57 G105 Q106 R113 M332E57-K108 PolarHBondContact OE1-N 3.34Å; E57-K108 PolarHBondContact OE2-N 3.28Å; G105-K108 PolarHBondContact O-NZ 3.39Å; Q106-K108 WeakPolarHBondContact O-CD 3.35Å; Q106-K108 WeakPolarHBondContact O-CE 3.09Å; Q106-K108 PolarHBondContact O-N 3.44Å; K108-R113 PolarHBondContact O-NH1 3.32Å; K108-M332 HydrophobicContact CB-CE 3.61Å; K108-M332 HydrophobicContact CG-CE 3.95Å
109R93.3Very high94.3Very high72 Ų7224.1 Ų24.127%0.27213%0.129SC..SBendtrans-86.2143.1-179.3-50.5-65.6176.4169.1-5.7111.5E57 L111 T112 R113 M332E57-R109 HydrophobicContact CG-CG 4.32Å; E57-R109 WeakPolarHBondContact OE2-CB 3.23Å; E57-R109 VanDerWaalsContact OE2-CG 3.24Å; E57-R109 WeakPolarHBondContact OE2-CG 3.39Å; E57-R109 PolarHBondContact OE2-N 3.21Å; R109-L111 PolarHBondContact O-N 3.41Å; R109-T112 WeakPolarHBondContact O-CB 3.42Å; R109-T112 PolarHBondContact O-N 3.2Å; R109-R113 PolarHBondContact O-N 3.23Å; R109-M332 HydrophobicContact CG-CE 4.15Å
110G94.2Very high94.3Very high22 Ų2224.1 Ų24.123%0.22713%0.129CC..Hα-helixtrans-61.6-43179.500000113.1T112 R113 Y114G110-T112 VanDerWaalsContact C-N 3.29Å; G110-T112 PolarHBondContact O-N 3Å; G110-R113 PolarHBondContact O-N 2.66Å; G110-Y114 PolarHBondContact O-N 3.24Å
111L95.8Very high94.3Very high18 Ų1825 Ų259%0.09413%0.133CC..Hα-helixtrans-56.3-41.5174.3176.362.7000112.4L53 L55 R109 Y114 L115 F342 L366L53-L111 WeakPolarHBondContact O-CD2 3.41Å; L55-L111 HydrophobicContact CD1-CD2 4.3Å; L55-L111 HydrophobicContact CD1-CG 4.48Å; R109-L111 PolarHBondContact O-N 3.41Å; L111-Y114 HydrophobicContact CD1-CD1 4.23Å; L111-Y114 PolarHBondContact O-N 3.38Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.19Å; L111-F342 HydrophobicContact CB-CD2 4.25Å; L111-F342 HydrophobicContact CB-CE2 4.4Å; L111-F342 HydrophobicContact CB-CG 4.47Å; L111-F342 HydrophobicContact CD1-CE2 4.11Å; L111-F342 HydrophobicContact CD1-CZ 4.21Å; L111-L366 HydrophobicContact CD1-CD2 3.92Å
112T97.3Very high94.4Very high0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-62.1-46.6177.6-48.20000111E57 Y60 F61 L107 R109 G110 Y114 L115 F116E57-T112 HydrophobicContact CB-CG2 3.91Å; E57-T112 WeakPolarHBondContact OE2-CB 3.44Å; E57-T112 PolarHBondContact OE2-OG1 3.38Å; Y60-T112 HydrophobicContact CD2-CG2 4.35Å; F61-T112 HydrophobicContact CE2-CG2 4.07Å; F61-T112 HydrophobicContact CZ-CG2 4.27Å; L107-T112 HydrophobicContact CB-CG2 4.21Å; L107-T112 HydrophobicContact CD1-CG2 4.45Å; L107-T112 HydrophobicContact CD2-CG2 3.9Å; L107-T112 HydrophobicContact CG-CG2 4.42Å; R109-T112 WeakPolarHBondContact O-CB 3.42Å; R109-T112 PolarHBondContact O-N 3.2Å; G110-T112 VanDerWaalsContact C-N 3.29Å; G110-T112 PolarHBondContact O-N 3Å; T112-Y114 PolarHBondContact O-N 2.86Å; T112-L115 PolarHBondContact O-N 2.99Å; T112-F116 HydrophobicContact CG2-CD2 4.23Å; T112-F116 HydrophobicContact CG2-CE2 4.25Å; T112-F116 WeakPolarHBondContact O-CD2 3.47Å; T112-F116 PolarHBondContact O-N 3.47Å
113R97.4Very high94.7Very high60 Ų6025 Ų2523%0.22613%0.129CC..Hα-helixtrans-63.7-39.9176.6-66.3-169.2-61.7-88.12.2112.1L107 K108 R109 G110 F116 A117 L196L107-R113 HydrophobicContact CB-CG 3.74Å; L107-R113 HydrophobicContact CD1-CG 4.28Å; L107-R113 PolarHBondContact O-NH1 2.9Å; K108-R113 PolarHBondContact O-NH1 3.32Å; R109-R113 PolarHBondContact O-N 3.23Å; G110-R113 PolarHBondContact O-N 2.66Å; R113-F116 PolarHBondContact O-N 2.98Å; R113-A117 WeakPolarHBondContact O-CB 3.29Å; R113-A117 PolarHBondContact O-N 3.21Å; R113-L196 HydrophobicContact CB-CD1 4.21Å; R113-L196 HydrophobicContact CG-CD1 4.48Å
114Y97.5Very high95Very high10 Ų1022.7 Ų22.74%0.03912%0.116CC..Hα-helixtrans-61.9-46.5174.1170.9-128000112.4G110 L111 T112 F116 A117 L118 F342 R344 L366G110-Y114 PolarHBondContact O-N 3.24Å; L111-Y114 HydrophobicContact CD1-CD1 4.23Å; L111-Y114 PolarHBondContact O-N 3.38Å; T112-Y114 PolarHBondContact O-N 2.86Å; Y114-F116 VanDerWaalsContact C-N 3.3Å; Y114-F116 PolarHBondContact O-N 2.78Å; Y114-A117 WeakPolarHBondContact O-CB 3.28Å; Y114-A117 PolarHBondContact O-N 3.15Å; Y114-A117 VanDerWaalsContact O-N 3.09Å; Y114-L118 HydrophobicContact CD1-CD1 4.41Å; Y114-L118 HydrophobicContact CD2-CD1 4.38Å; Y114-L118 HydrophobicContact CD2-CG 4.15Å; Y114-L118 HydrophobicContact CE1-CD1 3.9Å; Y114-L118 HydrophobicContact CE2-CD1 3.87Å; Y114-L118 HydrophobicContact CE2-CD2 3.86Å; Y114-L118 HydrophobicContact CE2-CG 3.74Å; Y114-L118 WeakPolarHBondContact O-CG 3.43Å; Y114-L118 PolarHBondContact O-N 2.99Å; Y114-F342 AromaticContact CD1-CE1 3.92Å; Y114-F342 HydrophobicContact CD1-CE1 3.92Å; Y114-F342 AromaticContact CD1-CZ 3.74Å; Y114-F342 HydrophobicContact CD1-CZ 3.74Å; Y114-F342 HydrophobicContact CE1-CZ 4.3Å; Y114-F342 HydrophobicContact CG-CE1 4.08Å; Y114-F342 HydrophobicContact CG-CZ 4.36Å; Y114-R344 VanDerWaalsContact CD2-NH1 3.3Å; Y114-R344 VanDerWaalsContact CE2-NH1 3.32Å; Y114-L366 HydrophobicContact CE1-CD2 4.28Å
115L98.3Very high95.4Very high0 Ų025.3 Ų25.30%014%0.135CC..Hα-helixtrans-61.8-37.7175.5-69.8168.2000111.8L27 L55 F61 F95 L111 T112 L118 Q119 L366L27-L115 HydrophobicContact CB-CD2 4.44Å; L27-L115 HydrophobicContact CD1-CB 4.19Å; L27-L115 HydrophobicContact CD1-CD2 4.3Å; L27-L115 WeakPolarHBondContact CD1-O 3.23Å; L55-L115 HydrophobicContact CD1-CD1 3.99Å; L55-L115 HydrophobicContact CD2-CD1 4.18Å; F61-L115 HydrophobicContact CE1-CB 3.73Å; F61-L115 HydrophobicContact CE1-CD1 4.2Å; F61-L115 HydrophobicContact CZ-CB 3.72Å; F61-L115 HydrophobicContact CZ-CD1 3.94Å; F95-L115 HydrophobicContact CE1-CD1 4.44Å; L111-L115 HydrophobicContact CD1-CD1 4.11Å; L111-L115 HydrophobicContact CD1-CG 4.11Å; L111-L115 HydrophobicContact CG-CD1 4Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.31Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 3.19Å; T112-L115 PolarHBondContact O-N 2.99Å; L115-L118 HydrophobicContact CD2-CD1 4.4Å; L115-L118 PolarHBondContact O-N 3.14Å; L115-Q119 PolarHBondContact O-N 3.34Å; L115-L366 HydrophobicContact CD2-CD1 4.17Å; L115-L366 HydrophobicContact CD2-CD2 4.25Å
116F98.4Very high95.8Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-66.3-38.9171.2-93-104.1000112.7Y60 F61 V97 F100 L107 T112 R113 Y114 L118 Q119 I120 L196Y60-F116 HydrophobicContact CD1-CZ 4.39Å; Y60-F116 HydrophobicContact CG-CE2 4.24Å; Y60-F116 HydrophobicContact CG-CZ 4.22Å; F61-F116 HydrophobicContact CE1-CD2 4.36Å; F61-F116 HydrophobicContact CE1-CE2 4.38Å; F61-F116 HydrophobicContact CE2-CE2 4.23Å; F61-F116 AromaticContact CZ-CD2 3.85Å; F61-F116 HydrophobicContact CZ-CD2 3.85Å; F61-F116 AromaticContact CZ-CE2 3.84Å; F61-F116 HydrophobicContact CZ-CE2 3.84Å; V97-F116 HydrophobicContact CG1-CD1 4.3Å; V97-F116 HydrophobicContact CG1-CE1 3.59Å; V97-F116 HydrophobicContact CG1-CE2 4.06Å; V97-F116 HydrophobicContact CG1-CZ 3.46Å; V97-F116 VanDerWaalsContact CG1-CZ 3.46Å; V97-F116 HydrophobicContact CG2-CD1 4.37Å; V97-F116 HydrophobicContact CG2-CD2 4.08Å; V97-F116 HydrophobicContact CG2-CE1 4.39Å; V97-F116 HydrophobicContact CG2-CE2 4.12Å; V97-F116 HydrophobicContact CG2-CG 4.24Å; V97-F116 HydrophobicContact CG2-CZ 4.28Å; F100-F116 HydrophobicContact CD1-CD1 4.31Å; F100-F116 AromaticContact CD1-CE1 3.91Å; F100-F116 HydrophobicContact CD1-CE1 3.91Å; F100-F116 HydrophobicContact CE1-CE1 4.38Å; F100-F116 HydrophobicContact CG-CE1 4.4Å; L107-F116 HydrophobicContact CD1-CB 4.05Å; L107-F116 HydrophobicContact CD1-CD1 3.9Å; L107-F116 HydrophobicContact CD1-CD2 3.6Å; L107-F116 HydrophobicContact CD1-CE1 4.19Å; L107-F116 HydrophobicContact CD1-CE2 3.91Å; L107-F116 HydrophobicContact CD1-CG 3.58Å; L107-F116 HydrophobicContact CD1-CZ 4.18Å; L107-F116 HydrophobicContact CD2-CD2 4.41Å; L107-F116 HydrophobicContact CD2-CE2 3.92Å; L107-F116 HydrophobicContact CD2-CZ 4.09Å; T112-F116 HydrophobicContact CG2-CD2 4.23Å; T112-F116 HydrophobicContact CG2-CE2 4.25Å; T112-F116 WeakPolarHBondContact O-CD2 3.47Å; T112-F116 PolarHBondContact O-N 3.47Å; R113-F116 PolarHBondContact O-N 2.98Å; Y114-F116 VanDerWaalsContact C-N 3.3Å; Y114-F116 PolarHBondContact O-N 2.78Å; F116-L118 VanDerWaalsContact C-N 3.35Å; F116-Q119 WeakPolarHBondContact O-CB 3.46Å; F116-Q119 PolarHBondContact O-N 2.81Å; F116-I120 WeakPolarHBondContact O-CG1 3.4Å; F116-I120 PolarHBondContact O-N 3.08Å; F116-L196 HydrophobicContact CB-CD1 4Å; F116-L196 HydrophobicContact CB-CD2 3.89Å
117A98.3Very high95.9Very high3 Ų327 Ų273%0.02514%0.143CC..Hα-helixtrans-63.3-40.4174.900000111.9R113 Y114 I120 K121 D192 L195R113-A117 WeakPolarHBondContact O-CB 3.29Å; R113-A117 PolarHBondContact O-N 3.21Å; Y114-A117 WeakPolarHBondContact O-CB 3.28Å; Y114-A117 PolarHBondContact O-N 3.15Å; Y114-A117 VanDerWaalsContact O-N 3.09Å; A117-I120 PolarHBondContact O-N 3.11Å; A117-K121 WeakPolarHBondContact O-CB 3.42Å; A117-K121 PolarHBondContact O-N 2.94Å; A117-D192 HydrophobicContact CB-CB 3.84Å; A117-D192 WeakPolarHBondContact CB-OD1 3.42Å; A117-L195 HydrophobicContact CB-CD2 3.92Å
118L98.1Very high95.9Very high3 Ų329 Ų292%0.01616%0.157CC..Hα-helixtrans-61.7-41.8171.3-69175.8000112.4L27 D28 Y114 L115 F116 K121 Q122L27-L118 HydrophobicContact CB-CB 3.85Å; L27-L118 HydrophobicContact CB-CD1 4.1Å; D28-L118 HydrophobicContact CB-CD1 3.97Å; Y114-L118 HydrophobicContact CD1-CD1 4.41Å; Y114-L118 HydrophobicContact CD2-CD1 4.38Å; Y114-L118 HydrophobicContact CD2-CG 4.15Å; Y114-L118 HydrophobicContact CE1-CD1 3.9Å; Y114-L118 HydrophobicContact CE2-CD1 3.87Å; Y114-L118 HydrophobicContact CE2-CD2 3.86Å; Y114-L118 HydrophobicContact CE2-CG 3.74Å; Y114-L118 WeakPolarHBondContact O-CG 3.43Å; Y114-L118 PolarHBondContact O-N 2.99Å; L115-L118 HydrophobicContact CD2-CD1 4.4Å; L115-L118 PolarHBondContact O-N 3.14Å; F116-L118 VanDerWaalsContact C-N 3.35Å; L118-K121 WeakPolarHBondContact O-CB 3.36Å; L118-K121 PolarHBondContact O-N 3.08Å; L118-Q122 PolarHBondContact O-N 3.19Å
119Q98.3Very high96.1Very high1 Ų124.1 Ų24.11%0.00514%0.136CC..Hα-helixtrans-59.2-46.9174.3-178.569.175.500111.9L27 V97 F100 L115 F116 K121 Q122 D123 R208L27-Q119 HydrophobicContact CD2-CB 4.4Å; V97-Q119 HydrophobicContact CB-CB 4.43Å; V97-Q119 HydrophobicContact CB-CG 3.84Å; V97-Q119 HydrophobicContact CG2-CB 3.67Å; V97-Q119 HydrophobicContact CG2-CG 3.65Å; F100-Q119 HydrophobicContact CE1-CG 4.01Å; F100-Q119 HydrophobicContact CZ-CG 3.74Å; L115-Q119 PolarHBondContact O-N 3.34Å; F116-Q119 WeakPolarHBondContact O-CB 3.46Å; F116-Q119 PolarHBondContact O-N 2.81Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-K121 PolarHBondContact O-N 3.3Å; Q119-Q122 PolarHBondContact O-N 3.23Å; Q119-D123 PolarHBondContact NE2-OD2 2.93Å; Q119-D123 WeakPolarHBondContact O-CB 3.31Å; Q119-D123 PolarHBondContact O-N 2.81Å; Q119-R208 VanDerWaalsContact NE2-NH2 3.2Å
120I98Very high96Very high2 Ų222.3 Ų22.31%0.0113%0.133CC..Hα-helixtrans-63.2-39.9177.1-67.6-52.4000111.4F116 A117 D123 L124 L129 L195 L196 A199 Y205F116-I120 WeakPolarHBondContact O-CG1 3.4Å; F116-I120 PolarHBondContact O-N 3.08Å; A117-I120 PolarHBondContact O-N 3.11Å; I120-D123 PolarHBondContact O-N 3.45Å; I120-L124 WeakPolarHBondContact O-CB 3.4Å; I120-L124 PolarHBondContact O-N 3.05Å; I120-L129 HydrophobicContact CD1-CD2 4.17Å; I120-L129 HydrophobicContact CG2-CD2 3.83Å; I120-L195 HydrophobicContact CG2-CD1 4.37Å; I120-L195 HydrophobicContact CG2-CD2 4.28Å; I120-L195 HydrophobicContact CG2-CG 4.11Å; I120-L196 HydrophobicContact CG1-CD2 3.8Å; I120-A199 HydrophobicContact CD1-CB 3.98Å; I120-A199 HydrophobicContact CG1-CB 4.01Å; I120-A199 HydrophobicContact CG2-CB 3.83Å; I120-Y205 HydrophobicContact CD1-CD2 3.92Å; I120-Y205 HydrophobicContact CD1-CE2 3.98Å
121K97Very high96Very high29 Ų2922.5 Ų22.513%0.12613%0.13CC..Hα-helixtrans-59-48.2173.3-175.518076.6-173.40111.9A117 L118 Q119 S125 I143 E147 Y165A117-K121 WeakPolarHBondContact O-CB 3.42Å; A117-K121 PolarHBondContact O-N 2.94Å; L118-K121 WeakPolarHBondContact O-CB 3.36Å; L118-K121 PolarHBondContact O-N 3.08Å; Q119-K121 VanDerWaalsContact C-N 3.34Å; Q119-K121 PolarHBondContact O-N 3.3Å; K121-S125 PolarHBondContact O-N 2.72Å; K121-S125 VanDerWaalsContact O-N 3.12Å; K121-S125 PolarHBondContact O-OG 2.94Å; K121-I143 HydrophobicContact CB-CD1 4.22Å; K121-I143 HydrophobicContact CD-CG2 3.89Å; K121-I143 HydrophobicContact CG-CD1 4.14Å; K121-I143 HydrophobicContact CG-CG2 4.26Å; K121-E147 VanDerWaalsContact CD-OE1 3.27Å; K121-E147 WeakPolarHBondContact CD-OE1 3.35Å; K121-E147 IonicContact NZ-OE1 3.45Å; K121-E147 PolarHBondContact NZ-OE1 3.05Å; K121-Y165 HydrophobicContact CD-CE1 4.21Å; K121-Y165 HydrophobicContact CG-CD1 4.21Å; K121-Y165 HydrophobicContact CG-CE1 4.16Å
122Q96.4Very high95.9Very high43 Ų4325 Ų2520%0.20114%0.144CC..Hα-helixtrans-63.5-41.3176.5-75.9-172.6-14.200112.2L27 D29 L118 Q119 S125 N126L27-Q122 PolarHBondContact O-NE2 3.14Å; D29-Q122 PolarHBondContact OD1-NE2 2.75Å; L118-Q122 PolarHBondContact O-N 3.19Å; Q119-Q122 PolarHBondContact O-N 3.23Å; Q122-S125 PolarHBondContact O-N 2.89Å; Q122-S125 PolarHBondContact O-OG 3.15Å; Q122-N126 VanDerWaalsContact O-CB 3.31Å; Q122-N126 WeakPolarHBondContact O-CB 3.44Å; Q122-N126 PolarHBondContact O-N 3.29Å; Q122-N126 PolarHBondContact O-ND2 3.07Å
123D96.6Very high95.8Very high8 Ų828.1 Ų28.14%0.04316%0.161CC..Hα-helixtrans-74.6-25.9-178.1-73.4-39.2000113.9Q119 I120 N126 G127 S128 L129 R208Q119-D123 PolarHBondContact NE2-OD2 2.93Å; Q119-D123 WeakPolarHBondContact O-CB 3.31Å; Q119-D123 PolarHBondContact O-N 2.81Å; I120-D123 PolarHBondContact O-N 3.45Å; D123-N126 PolarHBondContact O-OD1 3.31Å; D123-N126 PolarHBondContact OD1-ND2 3.02Å; D123-N126 VanDerWaalsContact OD1-ND2 3.17Å; D123-G127 PolarHBondContact O-N 3.06Å; D123-S128 PolarHBondContact O-N 3.1Å; D123-L129 HydrophobicContact CB-CB 4.09Å; D123-L129 PolarHBondContact O-N 2.61Å; D123-R208 VanDerWaalsContact CG-NH2 3.26Å; D123-R208 IonicContact OD1-CZ 3.93Å; D123-R208 VanDerWaalsContact OD1-CZ 3.32Å; D123-R208 IonicContact OD1-NH1 3.18Å; D123-R208 PolarHBondContact OD1-NH1 2.9Å; D123-R208 IonicContact OD1-NH2 3Å; D123-R208 PolarHBondContact OD1-NH2 3.42Å; D123-R208 IonicContact OD2-CZ 3.81Å; D123-R208 IonicContact OD2-NH1 2.81Å; D123-R208 IonicContact OD2-NH2 2.66Å; D123-R208 PolarHBondContact OD2-NH2 2.72Å
124L96.1Very high95.8Very high5 Ų530.5 Ų30.53%0.02618%0.178CC..Hα-helixtrans-69.8-50.1168.5-168.865.2000110.5I120 N126 G127 L139 V140 I143 Y165 V166I120-L124 WeakPolarHBondContact O-CB 3.4Å; I120-L124 PolarHBondContact O-N 3.05Å; L124-N126 PolarHBondContact O-N 3.05Å; L124-G127 PolarHBondContact O-N 2.81Å; L124-G127 VanDerWaalsContact O-N 3.16Å; L124-L139 HydrophobicContact CD1-CD1 3.9Å; L124-L139 HydrophobicContact CD2-CB 3.86Å; L124-L139 HydrophobicContact CD2-CD1 4.14Å; L124-V140 HydrophobicContact CD2-CG2 3.91Å; L124-I143 HydrophobicContact CD2-CD1 4.25Å; L124-Y165 CarbonylContact C-O 3.55Å; L124-Y165 VanDerWaalsContact C-O 3.26Å; L124-V166 HydrophobicContact CD1-CG1 3.82Å; L124-V166 HydrophobicContact CD2-CG1 4.09Å; L124-V166 HydrophobicContact CG-CG1 3.68Å
125S94.4Very high95.8Very high61 Ų6131.1 Ų31.143%0.42718%0.184SC..Hα-helixtrans-69.7-29.2-177.770.20000114K121 Q122 Y165K121-S125 PolarHBondContact O-N 2.72Å; K121-S125 VanDerWaalsContact O-N 3.12Å; K121-S125 PolarHBondContact O-OG 2.94Å; Q122-S125 PolarHBondContact O-N 2.89Å; Q122-S125 PolarHBondContact O-OG 3.15Å; S125-Y165 WeakPolarHBondContact CA-O 3.36Å; S125-Y165 PolarHBondContact N-O 2.85Å
126N92.4Very high95.8Very high91 Ų9131.4 Ų31.449%0.48719%0.186SC..THydrogen-bonded Turntrans-86.5-4.8174.678.939.7000113.9Q122 D123 L124 S128Q122-N126 VanDerWaalsContact O-CB 3.31Å; Q122-N126 WeakPolarHBondContact O-CB 3.44Å; Q122-N126 PolarHBondContact O-N 3.29Å; Q122-N126 PolarHBondContact O-ND2 3.07Å; D123-N126 PolarHBondContact O-OD1 3.31Å; D123-N126 PolarHBondContact OD1-ND2 3.02Å; D123-N126 VanDerWaalsContact OD1-ND2 3.17Å; L124-N126 PolarHBondContact O-N 3.05Å; N126-S128 WeakPolarHBondContact OD1-CB 3.37Å; N126-S128 PolarHBondContact OD1-N 3.3Å; N126-S128 PolarHBondContact OD1-OG 3.18Å
127G91.9Very high95.8Very high29 Ų2931.4 Ų31.430%0.29919%0.186SC..THydrogen-bonded Turntrans797.5178.400000116D123 L124 T130D123-G127 PolarHBondContact O-N 3.06Å; L124-G127 PolarHBondContact O-N 2.81Å; L124-G127 VanDerWaalsContact O-N 3.16Å; G127-T130 WeakPolarHBondContact O-CG2 3.16Å
128S92.6Very high95.8Very high44 Ų4433.6 Ų33.631%0.30820%0.197SC..  trans-66.4-39.8172.7-64.70000112.1D123 N126 T130 R208D123-S128 PolarHBondContact O-N 3.1Å; N126-S128 WeakPolarHBondContact OD1-CB 3.37Å; N126-S128 PolarHBondContact OD1-N 3.3Å; N126-S128 PolarHBondContact OD1-OG 3.18Å; S128-T130 VanDerWaalsContact C-N 3.34Å; S128-T130 PolarHBondContact O-N 3.42Å; S128-T130 VanDerWaalsContact O-N 3.15Å; S128-R208 PolarHBondContact OG-NH1 2.94Å
129L95Very high95.8Very high6 Ų633.5 Ų33.53%0.03120%0.197CC..SBendtrans-87.970.7179.5-172.661.1000110.6I120 D123 C131 L139 A199 L202 M204I120-L129 HydrophobicContact CD1-CD2 4.17Å; I120-L129 HydrophobicContact CG2-CD2 3.83Å; D123-L129 HydrophobicContact CB-CB 4.09Å; D123-L129 PolarHBondContact O-N 2.61Å; L129-C131 PolarHBondContact O-N 2.95Å; L129-L139 HydrophobicContact CD2-CD1 4.18Å; L129-A199 HydrophobicContact CD2-CB 4.47Å; L129-L202 HydrophobicContact CD1-CB 4.17Å; L129-L202 HydrophobicContact CD1-CD1 3.84Å; L129-L202 HydrophobicContact CD2-CD1 4.13Å; L129-L202 HydrophobicContact CG-CD1 3.9Å; L129-M204 HydrophobicContact CD1-CB 4.4Å
130T92.2Very high95.8Very high34 Ų3433.4 Ų33.421%0.20920%0.196CC..  trans-65.5126.2179.670.50000110.8G127 S128 M204 L483G127-T130 WeakPolarHBondContact O-CG2 3.16Å; S128-T130 VanDerWaalsContact C-N 3.34Å; S128-T130 PolarHBondContact O-N 3.42Å; S128-T130 VanDerWaalsContact O-N 3.15Å; T130-M204 VanDerWaalsContact OG1-CG 3.25Å; T130-M204 WeakPolarHBondContact OG1-CG 3.48Å; T130-L483 HydrophobicContact CG2-CD1 3.94Å
131C93.7Very high95.8Very high25 Ų2533.3 Ų33.317%0.16920%0.196CC..  trans-147.4172.817760.80000111.4L129 L202L129-C131 PolarHBondContact O-N 2.95Å; C131-L202 HydrophobicContact CB-CD1 3.72Å; C131-L202 HydrophobicContact CB-CD2 3.65Å; C131-L202 HydrophobicContact CB-CG 4.29Å
132N94.5Very high95.9Very high72 Ų7232.6 Ų32.639%0.38519%0.193SC..  trans-83.316317767.762.3000112.1N134 S135 A136N132-N134 PolarHBondContact O-N 2.8Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 2.77Å; N132-S135 PolarHBondContact O-N 3.47Å; N132-S135 PolarHBondContact OD1-N 2.96Å; N132-S135 PolarHBondContact OD1-OG 3.35Å; N132-A136 WeakPolarHBondContact O-CB 3.25Å; N132-A136 PolarHBondContact O-N 3.4Å
133D95.8Very high96Very high64 Ų6430.7 Ų30.734%0.34218%0.184SC..Hα-helixtrans-56.8-20.1-178.5-65.87.8000115.5A137 L172 K175D133-A137 WeakPolarHBondContact O-CB 3.27Å; D133-A137 PolarHBondContact O-N 2.91Å; D133-L172 HydrophobicContact CB-CD2 3.79Å; D133-K175 WeakPolarHBondContact O-CE 3.17Å; D133-K175 PolarHBondContact O-NZ 3.32Å
134N96.6Very high96.1Very high110 Ų11030.3 Ų30.359%0.58818%0.182SC*.Hα-helixtrans-78.5-49.4173.8-60.5-22.3000109.9N132 L138 K175N132-N134 PolarHBondContact O-N 2.8Å; N132-N134 WeakPolarHBondContact OD1-CA 3.46Å; N132-N134 VanDerWaalsContact OD1-CB 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 2.77Å; N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.34Å; N134-L138 VanDerWaalsContact O-N 3.11Å; N134-K175 WeakPolarHBondContact OD1-CE 3.44Å; N134-K175 PolarHBondContact OD1-NZ 2.66Å
135S97.7Very high96.2Very high24 Ų2430.1 Ų30.117%0.16818%0.181CC..Hα-helixtrans-63.6-43.9176.7-58.40000111.9N132 L138 L139N132-S135 PolarHBondContact O-N 3.47Å; N132-S135 PolarHBondContact OD1-N 2.96Å; N132-S135 PolarHBondContact OD1-OG 3.35Å; S135-L138 PolarHBondContact O-N 2.83Å; S135-L139 VanDerWaalsContact O-CG 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.2Å; S135-L139 PolarHBondContact O-N 3.37Å
136A97.5Very high96.4Very high6 Ų627.4 Ų27.45%0.0516%0.162CC..Hα-helixtrans-56.6-53.9177.300000111.6N132 L138 L139 V140 V166 L172N132-A136 WeakPolarHBondContact O-CB 3.25Å; N132-A136 PolarHBondContact O-N 3.4Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 2.96Å; A136-L139 PolarHBondContact O-N 2.81Å; A136-V140 WeakPolarHBondContact O-CG2 3.43Å; A136-V140 PolarHBondContact O-N 2.83Å; A136-V166 HydrophobicContact CB-CG1 4.22Å; A136-L172 HydrophobicContact CB-CD1 4.11Å
137A98.2Very high96.5Very high0 Ų024.8 Ų24.80%015%0.147CC..Hα-helixtrans-62.8-34.6179.500000112.8D133 S141 K175 I176 L179D133-A137 WeakPolarHBondContact O-CB 3.27Å; D133-A137 PolarHBondContact O-N 2.91Å; A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 3.05Å; A137-S141 PolarHBondContact O-OG 2.57Å; A137-K175 HydrophobicContact CB-CB 4.22Å; A137-K175 HydrophobicContact CB-CD 3.8Å; A137-K175 HydrophobicContact CB-CG 3.85Å; A137-I176 HydrophobicContact CB-CG1 3.87Å; A137-L179 HydrophobicContact CB-CD1 4.05Å
138L98.5Very high96.7Very high49 Ų4925.5 Ų25.526%0.25714%0.143SC..Hα-helixtrans-69-47.1176.2-175.660.9000112.1N134 S135 A136 V140 S141 H142 L179 V198N134-L138 WeakPolarHBondContact O-CB 3.34Å; N134-L138 PolarHBondContact O-N 3.34Å; N134-L138 VanDerWaalsContact O-N 3.11Å; S135-L138 PolarHBondContact O-N 2.83Å; A136-L138 VanDerWaalsContact C-N 3.28Å; A136-L138 PolarHBondContact O-N 2.96Å; L138-V140 PolarHBondContact O-N 2.69Å; L138-S141 PolarHBondContact O-N 3.46Å; L138-S141 PolarHBondContact O-OG 3.5Å; L138-H142 PolarHBondContact O-CD2 3.06Å; L138-H142 VanDerWaalsContact O-CD2 3.25Å; L138-H142 PolarHBondContact O-N 2.87Å; L138-H142 VanDerWaalsContact O-N 3.17Å; L138-L179 HydrophobicContact CB-CD1 4.13Å; L138-L179 HydrophobicContact CD1-CD1 4.31Å; L138-L179 HydrophobicContact CD1-CD2 4.43Å; L138-V198 HydrophobicContact CD2-CG1 3.99Å; L138-V198 HydrophobicContact CD2-CG2 3.65Å; L138-V198 HydrophobicContact CG-CG1 4.34Å; L138-V198 HydrophobicContact CG-CG2 4.06Å
139L98.6Very high97Very high0 Ų024.1 Ų24.10%014%0.136CC..Hα-helixtrans-56.8-49.2174.8-70.4173.2000111.1L124 L129 S135 A136 S141 H142 I143 L195 V198 A199 L202L124-L139 HydrophobicContact CD1-CD1 3.9Å; L124-L139 HydrophobicContact CD2-CB 3.86Å; L124-L139 HydrophobicContact CD2-CD1 4.14Å; L129-L139 HydrophobicContact CD2-CD1 4.18Å; S135-L139 VanDerWaalsContact O-CG 3.32Å; S135-L139 WeakPolarHBondContact O-CG 3.2Å; S135-L139 PolarHBondContact O-N 3.37Å; A136-L139 PolarHBondContact O-N 2.81Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.87Å; L139-H142 PolarHBondContact O-N 2.81Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.02Å; L139-I143 VanDerWaalsContact O-N 3.07Å; L139-L195 HydrophobicContact CB-CD1 3.95Å; L139-L195 HydrophobicContact CD2-CD1 3.58Å; L139-L195 HydrophobicContact CD2-CG 4.42Å; L139-L195 HydrophobicContact CG-CD1 4.38Å; L139-L195 VanDerWaalsContact O-CD1 3.26Å; L139-L195 WeakPolarHBondContact O-CD1 3.36Å; L139-V198 HydrophobicContact CD2-CB 3.86Å; L139-V198 HydrophobicContact CD2-CG1 3.62Å; L139-V198 HydrophobicContact CG-CG1 3.97Å; L139-A199 HydrophobicContact CD2-CB 4.08Å; L139-L202 HydrophobicContact CD1-CD1 3.94Å
140V98.4Very high97.1Very high0 Ų027.1 Ų27.10%015%0.152CC..Hα-helixtrans-62.1-40.7178.9-179.20000111.4L124 A136 L138 H142 I143 L144 L160 Y165 I176L124-V140 HydrophobicContact CD2-CG2 3.91Å; A136-V140 WeakPolarHBondContact O-CG2 3.43Å; A136-V140 PolarHBondContact O-N 2.83Å; L138-V140 PolarHBondContact O-N 2.69Å; V140-H142 VanDerWaalsContact C-N 3.27Å; V140-H142 PolarHBondContact O-N 2.75Å; V140-I143 WeakPolarHBondContact O-CA 3.45Å; V140-I143 WeakPolarHBondContact O-CB 3.3Å; V140-I143 PolarHBondContact O-N 3.46Å; V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.15Å; V140-L160 HydrophobicContact CG1-CD2 4.19Å; V140-Y165 HydrophobicContact CG1-CD2 3.57Å; V140-Y165 HydrophobicContact CG1-CE2 4.12Å; V140-Y165 HydrophobicContact CG1-CG 4Å; V140-Y165 HydrophobicContact CG2-CD2 4.39Å; V140-Y165 HydrophobicContact CG2-CG 4.06Å; V140-I176 HydrophobicContact CB-CD1 4.13Å; V140-I176 HydrophobicContact CB-CG1 4.16Å; V140-I176 HydrophobicContact CB-CG2 4.27Å; V140-I176 HydrophobicContact CG1-CD1 3.94Å; V140-I176 HydrophobicContact CG1-CG1 4.26Å; V140-I176 HydrophobicContact CG1-CG2 3.8Å
141S98.5Very high97.4Very high0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-62-30.8177.371.60000114.1A137 L138 L139 Q145 L179 H180 H183A137-S141 WeakPolarHBondContact O-CB 3.32Å; A137-S141 PolarHBondContact O-N 3.05Å; A137-S141 PolarHBondContact O-OG 2.57Å; L138-S141 PolarHBondContact O-N 3.46Å; L138-S141 PolarHBondContact O-OG 3.5Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 2.87Å; S141-Q145 PolarHBondContact O-N 3.23Å; S141-L179 WeakPolarHBondContact OG-CB 3.24Å; S141-H180 PolarHBondContact O-CD2 3.26Å; S141-H183 PolarHBondContact O-CD2 3.46Å; S141-H183 PolarHBondContact OG-NE2 2.98Å
142H98.6Very high97.6Very high14 Ų1430.4 Ų30.47%0.06516%0.163CC..Hα-helixtrans-76.9-30.8171.9-69.9-58.9000112.6L138 L139 V140 S146 H183 L195L138-H142 PolarHBondContact O-CD2 3.06Å; L138-H142 VanDerWaalsContact O-CD2 3.25Å; L138-H142 PolarHBondContact O-N 2.87Å; L138-H142 VanDerWaalsContact O-N 3.17Å; L139-H142 PolarHBondContact O-N 2.81Å; V140-H142 VanDerWaalsContact C-N 3.27Å; V140-H142 PolarHBondContact O-N 2.75Å; H142-S146 PolarHBondContact O-N 3.47Å; H142-S146 VanDerWaalsContact O-N 3.1Å; H142-H183 AromaticContact CE1-CE1 3.17Å; H142-H183 PolarHBondContact CE1-CE1 3.18Å; H142-H183 AromaticContact CE1-ND1 3.62Å; H142-H183 AromaticContact CE1-NE2 3.42Å; H142-H183 PolarHBondContact CE1-NE2 3.31Å; H142-H183 AromaticContact CG-NE2 4Å; H142-H183 AromaticContact ND1-CD2 3.72Å; H142-H183 AromaticContact ND1-CE1 3.66Å; H142-H183 AromaticContact ND1-NE2 3.47Å; H142-H183 PolarHBondContact ND1-NE2 2.82Å; H142-H183 AromaticContact NE2-CE1 3.74Å; H142-H183 AromaticContact NE2-NE2 3.91Å; H142-L195 HydrophobicContact CB-CB 4.13Å; H142-L195 HydrophobicContact CB-CD1 4.15Å
143I98.3Very high97.6Very high2 Ų232.1 Ų32.11%0.0117%0.169CC..Hα-helixtrans-67.3-38.5172.6-64.6158.9000110.8K121 L124 L139 V140 S146 E147 Y165 L195K121-I143 HydrophobicContact CB-CD1 4.22Å; K121-I143 HydrophobicContact CD-CG2 3.89Å; K121-I143 HydrophobicContact CG-CD1 4.14Å; K121-I143 HydrophobicContact CG-CG2 4.26Å; L124-I143 HydrophobicContact CD2-CD1 4.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.02Å; L139-I143 VanDerWaalsContact O-N 3.07Å; V140-I143 WeakPolarHBondContact O-CA 3.45Å; V140-I143 WeakPolarHBondContact O-CB 3.3Å; V140-I143 PolarHBondContact O-N 3.46Å; I143-S146 PolarHBondContact O-N 2.89Å; I143-E147 HydrophobicContact CG2-CG 4.25Å; I143-E147 WeakPolarHBondContact O-CB 3.16Å; I143-E147 WeakPolarHBondContact O-CG 3.38Å; I143-E147 PolarHBondContact O-N 2.78Å; I143-Y165 HydrophobicContact CB-CE1 4.43Å; I143-Y165 HydrophobicContact CD1-CD1 4.21Å; I143-Y165 HydrophobicContact CG2-CD1 4.17Å; I143-Y165 HydrophobicContact CG2-CE1 3.47Å; I143-Y165 VanDerWaalsContact CG2-CE1 3.47Å; I143-L195 HydrophobicContact CD1-CD1 4.1Å; I143-L195 HydrophobicContact CD1-CD2 4.43Å; I143-L195 HydrophobicContact CG1-CD1 3.79Å; I143-L195 HydrophobicContact CG1-CD2 3.78Å; I143-L195 HydrophobicContact CG1-CG 4.46Å
144L98.2Very high97.6Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-59-54.2172-63.2-173.9000110.9V140 S146 E147 I148 H159 L160 Y165 I176 H180V140-L144 WeakPolarHBondContact O-CG 3.39Å; V140-L144 PolarHBondContact O-N 3.15Å; L144-S146 PolarHBondContact O-N 3.43Å; L144-S146 VanDerWaalsContact O-N 3.09Å; L144-E147 PolarHBondContact O-N 3.39Å; L144-I148 HydrophobicContact CB-CD1 4.37Å; L144-I148 HydrophobicContact CB-CG1 4.29Å; L144-I148 HydrophobicContact CD2-CD1 4.35Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 2.82Å; L144-H159 VanDerWaalsContact CD2-CD2 3.45Å; L144-H159 WeakPolarHBondContact CD2-CD2 3.44Å; L144-L160 HydrophobicContact CD1-CD1 4.37Å; L144-L160 HydrophobicContact CD1-CD2 4.46Å; L144-L160 HydrophobicContact CD1-CG 4.49Å; L144-L160 HydrophobicContact CD2-CD2 4.32Å; L144-Y165 HydrophobicContact CD2-CE2 4.46Å; L144-I176 HydrophobicContact CD1-CG2 3.6Å; L144-I176 HydrophobicContact CG-CG2 4.42Å; L144-H180 HydrophobicContact CD1-CB 4.27Å
145Q98.5Very high97.6Very high2 Ų235.5 Ų35.51%0.00918%0.181CC..Hα-helixtrans-57.7-30.3179.9-171.674.139.600112.7S141 G149 D150 H180 H183 A186 A191S141-Q145 PolarHBondContact O-N 3.23Å; Q145-G149 WeakPolarHBondContact CA-O 3.2Å; Q145-D150 PolarHBondContact NE2-OD1 3.03Å; Q145-H180 WeakPolarHBondContact CA-NE2 3.31Å; Q145-H180 PolarHBondContact N-NE2 3.25Å; Q145-H183 HydrophobicContact CB-CB 4.17Å; Q145-H183 HydrophobicContact CG-CB 3.87Å; Q145-H183 PolarHBondContact NE2-O 3.24Å; Q145-H183 PolarHBondContact OE1-O 3.4Å; Q145-A186 HydrophobicContact CG-CB 4.21Å; Q145-A186 PolarHBondContact NE2-O 3.26Å; Q145-A191 HydrophobicContact CB-CB 3.95Å; Q145-A191 HydrophobicContact CG-CB 3.9Å
146S97.8Very high97.5Very high4 Ų434.3 Ų34.33%0.02817%0.173CC..Hα-helixtrans-86.6-21.3176.589.70000115.1H142 I143 L144 D192 R344H142-S146 PolarHBondContact O-N 3.47Å; H142-S146 VanDerWaalsContact O-N 3.1Å; I143-S146 PolarHBondContact O-N 2.89Å; L144-S146 PolarHBondContact O-N 3.43Å; L144-S146 VanDerWaalsContact O-N 3.09Å; S146-D192 VanDerWaalsContact CB-OD1 3.27Å; S146-D192 WeakPolarHBondContact CB-OD1 3.5Å; S146-D192 PolarHBondContact OG-OD1 2.97Å; S146-R344 PolarHBondContact O-NE 3.43Å; S146-R344 PolarHBondContact O-NH2 2.98Å; S146-R344 PolarHBondContact OG-NH1 2.71Å; S146-R344 VanDerWaalsContact OG-NH1 3.12Å; S146-R344 PolarHBondContact OG-NH2 2.99Å
147E95.8Very high97.4Very high36 Ų3638.3 Ų38.317%0.16819%0.188CC..Hα-helixtrans-100.3-35.2-179.8-71.8-170.416300115.1K121 I143 L144 H159 K163 Y165K121-E147 VanDerWaalsContact CD-OE1 3.27Å; K121-E147 WeakPolarHBondContact CD-OE1 3.35Å; K121-E147 IonicContact NZ-OE1 3.45Å; K121-E147 PolarHBondContact NZ-OE1 3.05Å; I143-E147 HydrophobicContact CG2-CG 4.25Å; I143-E147 WeakPolarHBondContact O-CB 3.16Å; I143-E147 WeakPolarHBondContact O-CG 3.38Å; I143-E147 PolarHBondContact O-N 2.78Å; L144-E147 PolarHBondContact O-N 3.39Å; E147-H159 IonicContact OE2-CE1 3.56Å; E147-H159 PolarHBondContact OE2-CE1 3.41Å; E147-H159 IonicContact OE2-NE2 2.66Å; E147-H159 PolarHBondContact OE2-NE2 3.38Å; E147-K163 IonicContact OE1-NZ 3.53Å; E147-K163 PolarHBondContact OE1-NZ 2.92Å; E147-K163 IonicContact OE2-NZ 2.69Å; E147-K163 PolarHBondContact OE2-NZ 3.38Å; E147-Y165 PolarHBondContact OE2-OH 3Å
148I96.4Very high97.3Very high43 Ų4341.8 Ų41.822%0.22120%0.204CC..THydrogen-bonded Turntrans-117.4-17.8-17858.3170.5000114.1L144 H159L144-I148 HydrophobicContact CB-CD1 4.37Å; L144-I148 HydrophobicContact CB-CG1 4.29Å; L144-I148 HydrophobicContact CD2-CD1 4.35Å; L144-I148 VanDerWaalsContact O-CG1 3.24Å; L144-I148 WeakPolarHBondContact O-CG1 3.35Å; L144-I148 PolarHBondContact O-N 2.82Å; I148-H159 HydrophobicContact CD1-CB 4.46Å
149G97.3Very high97.2Very high15 Ų1541.4 Ų41.416%0.15520%0.201CC..  trans95.8-150.8179.700000112.5Q145 H180Q145-G149 WeakPolarHBondContact CA-O 3.2Å; G149-H180 PolarHBondContact O-CE1 3.25Å; G149-H180 PolarHBondContact O-NE2 2.89Å
150D98.1Very high97.1Very high70 Ų7041.6 Ų41.637%0.37420%0.202SC..SBendtrans-60.9144176.7-80.44.3000111.7Q145 D152 R184 G185Q145-D150 PolarHBondContact NE2-OD1 3.03Å; D150-D152 PolarHBondContact O-N 3.13Å; D150-R184 HydrophobicContact CB-CG 4.32Å; D150-R184 WeakPolarHBondContact OD1-CA 3.49Å; D150-R184 WeakPolarHBondContact OD2-CG 3.42Å; D150-R184 IonicContact OD2-NE 2.82Å; D150-G185 PolarHBondContact OD1-N 3.31Å; D150-G185 PolarHBondContact OD2-N 3.45Å
151Y98.1Very high96.9Very high53 Ų5348.9 Ų48.921%0.20824%0.236CC..  trans-44.6126.6176.2172.5-90.5000113.7E153 D156 I177 K181Y151-E153 HydrophobicContact CE1-CB 4.14Å; Y151-E153 WeakPolarHBondContact OH-CA 3.47Å; Y151-E153 VanDerWaalsContact OH-CB 3.23Å; Y151-E153 WeakPolarHBondContact OH-CB 3.48Å; Y151-E153 VanDerWaalsContact OH-CG 3.27Å; Y151-E153 WeakPolarHBondContact OH-CG 3.44Å; Y151-E153 PolarHBondContact OH-OE1 3.06Å; Y151-D156 HydrophobicContact CD2-CB 4.08Å; Y151-D156 VanDerWaalsContact CD2-OD1 3.28Å; Y151-D156 WeakPolarHBondContact CD2-OD1 3.46Å; Y151-D156 WeakPolarHBondContact CD2-OD2 3.36Å; Y151-D156 HydrophobicContact CE2-CB 3.79Å; Y151-I177 HydrophobicContact CD2-CG2 4.21Å; Y151-I177 HydrophobicContact CE2-CG2 3.59Å; Y151-K181 HydrophobicContact CD1-CD 4.34Å; Y151-K181 VanDerWaalsContact CD1-CE 3.45Å; Y151-K181 HydrophobicContact CD1-CG 3.85Å; Y151-K181 HydrophobicContact CD2-CD 4.47Å; Y151-K181 HydrophobicContact CD2-CG 3.85Å; Y151-K181 HydrophobicContact CE1-CD 4.32Å; Y151-K181 HydrophobicContact CE1-CG 4.32Å; Y151-K181 HydrophobicContact CE2-CD 4.48Å; Y151-K181 HydrophobicContact CE2-CG 4.34Å; Y151-K181 HydrophobicContact CG-CD 4.42Å; Y151-K181 HydrophobicContact CG-CG 3.6Å; Y151-K181 VanDerWaalsContact CZ-NZ 3.28Å; Y151-K181 VanDerWaalsContact OH-CE 3.26Å; Y151-K181 WeakPolarHBondContact OH-CE 3.43Å; Y151-K181 PolarHBondContact OH-NZ 2.84Å
152D97.7Very high96.6Very high74 Ų7455.6 Ų55.640%0.39627%0.269SS..  trans-128.6143.6162.2172.8-93.7000108.8D150 E154 L155 D156D150-D152 PolarHBondContact O-N 3.13Å; D152-E154 PolarHBondContact OD1-N 2.65Å; D152-L155 HydrophobicContact CB-CB 4.15Å; D152-L155 HydrophobicContact CB-CD1 4.11Å; D152-L155 HydrophobicContact CB-CG 4.27Å; D152-L155 WeakPolarHBondContact OD1-CG 3.41Å; D152-L155 PolarHBondContact OD1-N 3.5Å; D152-D156 VanDerWaalsContact O-CB 3.24Å; D152-D156 WeakPolarHBondContact O-CB 3.47Å; D152-D156 PolarHBondContact O-N 2.82Å
153E95.4Very high96.4Very high109 Ų10958.1 Ų58.151%0.50928%0.28SS..Hα-helixtrans-71.6-39-171.6-170.8147.9-123.300113.7Y151 Y157Y151-E153 HydrophobicContact CE1-CB 4.14Å; Y151-E153 WeakPolarHBondContact OH-CA 3.47Å; Y151-E153 VanDerWaalsContact OH-CB 3.23Å; Y151-E153 WeakPolarHBondContact OH-CB 3.48Å; Y151-E153 VanDerWaalsContact OH-CG 3.27Å; Y151-E153 WeakPolarHBondContact OH-CG 3.44Å; Y151-E153 PolarHBondContact OH-OE1 3.06Å; E153-Y157 HydrophobicContact CG-CD2 4.02Å; E153-Y157 HydrophobicContact CG-CE2 3.82Å; E153-Y157 WeakPolarHBondContact O-CD2 3.29Å
154E95.6Very high96.1Very high153 Ų15364 Ų6472%0.71531%0.307SS*.Hα-helixtrans-76.1-41.3-179.3-169.6167.5-175.700110.7D152 Q158D152-E154 PolarHBondContact OD1-N 2.65Å; E154-Q158 VanDerWaalsContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CB 3.15Å; E154-Q158 PolarHBondContact O-N 2.92Å; E154-Q158 VanDerWaalsContact O-N 3.07Å
155L95.7Very high95.9Very high91 Ų9164.2 Ų64.248%0.47631%0.308SS..Hα-helixtrans-69.2-41.6179.2-61.6177.1000113.3D152 H159D152-L155 HydrophobicContact CB-CB 4.15Å; D152-L155 HydrophobicContact CB-CD1 4.11Å; D152-L155 HydrophobicContact CB-CG 4.27Å; D152-L155 WeakPolarHBondContact OD1-CG 3.41Å; D152-L155 PolarHBondContact OD1-N 3.5Å; L155-H159 VanDerWaalsContact O-CB 3.24Å; L155-H159 WeakPolarHBondContact O-CB 3.31Å; L155-H159 PolarHBondContact O-N 3.01Å
156D96.6Very high95.7Very high0 Ų064.8 Ų64.80%031%0.312CS..Hα-helixtrans-60.4-50.4178-97.6-125.6000111.5Y151 D152 H159 L160 I177 H180Y151-D156 HydrophobicContact CD2-CB 4.08Å; Y151-D156 VanDerWaalsContact CD2-OD1 3.28Å; Y151-D156 WeakPolarHBondContact CD2-OD1 3.46Å; Y151-D156 WeakPolarHBondContact CD2-OD2 3.36Å; Y151-D156 HydrophobicContact CE2-CB 3.79Å; D152-D156 VanDerWaalsContact O-CB 3.24Å; D152-D156 WeakPolarHBondContact O-CB 3.47Å; D152-D156 PolarHBondContact O-N 2.82Å; D156-H159 PolarHBondContact O-N 2.71Å; D156-L160 WeakPolarHBondContact O-CB 3.41Å; D156-L160 WeakPolarHBondContact O-CG 3.36Å; D156-L160 PolarHBondContact O-N 2.99Å; D156-I177 HydrophobicContact CB-CG1 4.4Å; D156-H180 VanDerWaalsContact CG-ND1 3.27Å; D156-H180 IonicContact OD1-CE1 2.75Å; D156-H180 IonicContact OD1-CG 3.7Å; D156-H180 IonicContact OD1-ND1 3.06Å; D156-H180 PolarHBondContact OD1-ND1 3.48Å; D156-H180 IonicContact OD2-CE1 3.74Å; D156-H180 PolarHBondContact OD2-CE1 3.15Å; D156-H180 IonicContact OD2-ND1 3.37Å; D156-H180 PolarHBondContact OD2-ND1 3.32Å
157Y95.6Very high95.3Very high89 Ų8969.1 Ų69.135%0.34934%0.339SS..Hα-helixtrans-65.7-44-179.4-76.3-59.7000111.1E153 H159 L160 E161 I177E153-Y157 HydrophobicContact CG-CD2 4.02Å; E153-Y157 HydrophobicContact CG-CE2 3.82Å; E153-Y157 WeakPolarHBondContact O-CD2 3.29Å; Y157-H159 VanDerWaalsContact C-N 3.35Å; Y157-H159 PolarHBondContact O-N 3.44Å; Y157-L160 PolarHBondContact O-N 2.88Å; Y157-E161 WeakPolarHBondContact O-CG 3.31Å; Y157-E161 PolarHBondContact O-N 3.42Å; Y157-I177 HydrophobicContact CD1-CD1 3.77Å; Y157-I177 HydrophobicContact CE1-CD1 3.29Å; Y157-I177 HydrophobicContact CE2-CD1 4.37Å; Y157-I177 HydrophobicContact CG-CD1 4.47Å
158Q96.1Very high94.8Very high74 Ų7470.9 Ų70.935%0.34635%0.35SS..Hα-helixtrans-60.5-42.5177.2-175.2177.770.800112.1E154 E161 M162E154-Q158 VanDerWaalsContact O-CB 3.26Å; E154-Q158 WeakPolarHBondContact O-CB 3.15Å; E154-Q158 PolarHBondContact O-N 2.92Å; E154-Q158 VanDerWaalsContact O-N 3.07Å; Q158-E161 PolarHBondContact O-N 3.17Å; Q158-M162 HydrophobicContact CG-CE 3.66Å; Q158-M162 HydrophobicContact CG-SD 4.19Å; Q158-M162 WeakPolarHBondContact O-CB 3.28Å; Q158-M162 VanDerWaalsContact O-CG 3.31Å; Q158-M162 WeakPolarHBondContact O-CG 3.48Å; Q158-M162 PolarHBondContact O-N 2.91Å
159H95.9Very high94.7Very high40 Ų4069.1 Ų69.119%0.18534%0.341CS..Hα-helixtrans-69.9-35.7-179.5-164.686.7000112.3L144 E147 I148 L155 D156 Y157 K163 Y165L144-H159 VanDerWaalsContact CD2-CD2 3.45Å; L144-H159 WeakPolarHBondContact CD2-CD2 3.44Å; E147-H159 IonicContact OE2-CE1 3.56Å; E147-H159 PolarHBondContact OE2-CE1 3.41Å; E147-H159 IonicContact OE2-NE2 2.66Å; E147-H159 PolarHBondContact OE2-NE2 3.38Å; I148-H159 HydrophobicContact CD1-CB 4.46Å; L155-H159 VanDerWaalsContact O-CB 3.24Å; L155-H159 WeakPolarHBondContact O-CB 3.31Å; L155-H159 PolarHBondContact O-N 3.01Å; D156-H159 PolarHBondContact O-N 2.71Å; Y157-H159 VanDerWaalsContact C-N 3.35Å; Y157-H159 PolarHBondContact O-N 3.44Å; H159-K163 WeakPolarHBondContact O-CB 3.14Å; H159-K163 PolarHBondContact O-N 2.91Å; H159-K163 VanDerWaalsContact O-N 3.14Å; H159-Y165 PolarHBondContact CD2-OH 2.75Å; H159-Y165 PolarHBondContact NE2-OH 2.82Å
160L95.9Very high94.5Very high4 Ų475.7 Ų75.72%0.02137%0.367CS..Hα-helixtrans-73-34.1174.8-71.1169.8000112.9V140 L144 D156 Y157 Y165 Q169 D173 I176 I177V140-L160 HydrophobicContact CG1-CD2 4.19Å; L144-L160 HydrophobicContact CD1-CD1 4.37Å; L144-L160 HydrophobicContact CD1-CD2 4.46Å; L144-L160 HydrophobicContact CD1-CG 4.49Å; L144-L160 HydrophobicContact CD2-CD2 4.32Å; D156-L160 WeakPolarHBondContact O-CB 3.41Å; D156-L160 WeakPolarHBondContact O-CG 3.36Å; D156-L160 PolarHBondContact O-N 2.99Å; Y157-L160 PolarHBondContact O-N 2.88Å; L160-Y165 HydrophobicContact CD2-CD2 4.49Å; L160-Y165 HydrophobicContact CD2-CE2 4.44Å; L160-Q169 HydrophobicContact CD2-CG 4.49Å; L160-Q169 PolarHBondContact O-NE2 2.83Å; L160-D173 HydrophobicContact CD1-CB 4.33Å; L160-I176 HydrophobicContact CD1-CG2 4.22Å; L160-I176 HydrophobicContact CD2-CD1 4.39Å; L160-I176 HydrophobicContact CD2-CG2 4.27Å; L160-I177 HydrophobicContact CD1-CD1 4.18Å; L160-I177 HydrophobicContact CD1-CG1 4.06Å
161E93.9Very high94.3Very high154 Ų15481.7 Ų81.772%0.7239%0.386SS*.Hα-helixtrans-66.6-39.5170.9-76.6-170.1170.200112.1Y157 Q158Y157-E161 WeakPolarHBondContact O-CG 3.31Å; Y157-E161 PolarHBondContact O-N 3.42Å; Q158-E161 PolarHBondContact O-N 3.17Å
162M93.6Very high94.3Very high140 Ų14079.5 Ų79.569%0.6938%0.378SS*.Hα-helixtrans-79.2-19.9-177.2-71.9-173.3-175.400114.5Q158Q158-M162 HydrophobicContact CG-CE 3.66Å; Q158-M162 HydrophobicContact CG-SD 4.19Å; Q158-M162 WeakPolarHBondContact O-CB 3.28Å; Q158-M162 VanDerWaalsContact O-CG 3.31Å; Q158-M162 WeakPolarHBondContact O-CG 3.48Å; Q158-M162 PolarHBondContact O-N 2.91Å
163K93.2Very high94.2Very high68 Ų6877.5 Ų77.530%0.29637%0.367SS..  trans-144.9110.3-166.6-171.6167167.2-166.90113.7E147 H159 Y165 Q169E147-K163 IonicContact OE1-NZ 3.53Å; E147-K163 PolarHBondContact OE1-NZ 2.92Å; E147-K163 IonicContact OE2-NZ 2.69Å; E147-K163 PolarHBondContact OE2-NZ 3.38Å; H159-K163 WeakPolarHBondContact O-CB 3.14Å; H159-K163 PolarHBondContact O-N 2.91Å; H159-K163 VanDerWaalsContact O-N 3.14Å; K163-Y165 HydrophobicContact CB-CE2 4.38Å; K163-Y165 HydrophobicContact CD-CE1 4.19Å; K163-Y165 HydrophobicContact CD-CE2 4.49Å; K163-Y165 VanDerWaalsContact CD-OH 3.27Å; K163-Y165 WeakPolarHBondContact CD-OH 3.37Å; K163-Y165 VanDerWaalsContact CE-OH 3.23Å; K163-Y165 WeakPolarHBondContact CE-OH 3.34Å; K163-Y165 HydrophobicContact CG-CE1 4.23Å; K163-Y165 HydrophobicContact CG-CE2 4.12Å; K163-Y165 PolarHBondContact NZ-OH 2.64Å; K163-Y165 WeakPolarHBondContact O-CD2 3.43Å; K163-Y165 WeakPolarHBondContact O-CE2 3.32Å; K163-Q169 PolarHBondContact O-NE2 3.02Å
164H93.1Very high94.3Very high126 Ų12679.8 Ų79.858%0.58338%0.378SS*.  trans-86.5120.2176.8-56.3-46.6000112.4
165Y94.8Very high94.4Very high3 Ų375.7 Ų75.71%0.01236%0.358CS..SBendtrans-97.2-21.7174.2-59.9-81.7000113.2K121 L124 S125 V140 I143 L144 E147 H159 L160 K163K121-Y165 HydrophobicContact CD-CE1 4.21Å; K121-Y165 HydrophobicContact CG-CD1 4.21Å; K121-Y165 HydrophobicContact CG-CE1 4.16Å; L124-Y165 CarbonylContact C-O 3.55Å; L124-Y165 VanDerWaalsContact C-O 3.26Å; S125-Y165 WeakPolarHBondContact CA-O 3.36Å; S125-Y165 PolarHBondContact N-O 2.85Å; V140-Y165 HydrophobicContact CG1-CD2 3.57Å; V140-Y165 HydrophobicContact CG1-CE2 4.12Å; V140-Y165 HydrophobicContact CG1-CG 4Å; V140-Y165 HydrophobicContact CG2-CD2 4.39Å; V140-Y165 HydrophobicContact CG2-CG 4.06Å; I143-Y165 HydrophobicContact CB-CE1 4.43Å; I143-Y165 HydrophobicContact CD1-CD1 4.21Å; I143-Y165 HydrophobicContact CG2-CD1 4.17Å; I143-Y165 HydrophobicContact CG2-CE1 3.47Å; I143-Y165 VanDerWaalsContact CG2-CE1 3.47Å; L144-Y165 HydrophobicContact CD2-CE2 4.46Å; E147-Y165 PolarHBondContact OE2-OH 3Å; H159-Y165 PolarHBondContact CD2-OH 2.75Å; H159-Y165 PolarHBondContact NE2-OH 2.82Å; L160-Y165 HydrophobicContact CD2-CD2 4.49Å; L160-Y165 HydrophobicContact CD2-CE2 4.44Å; K163-Y165 HydrophobicContact CB-CE2 4.38Å; K163-Y165 HydrophobicContact CD-CE1 4.19Å; K163-Y165 HydrophobicContact CD-CE2 4.49Å; K163-Y165 VanDerWaalsContact CD-OH 3.27Å; K163-Y165 WeakPolarHBondContact CD-OH 3.37Å; K163-Y165 VanDerWaalsContact CE-OH 3.23Å; K163-Y165 WeakPolarHBondContact CE-OH 3.34Å; K163-Y165 HydrophobicContact CG-CE1 4.23Å; K163-Y165 HydrophobicContact CG-CE2 4.12Å; K163-Y165 PolarHBondContact NZ-OH 2.64Å; K163-Y165 WeakPolarHBondContact O-CD2 3.43Å; K163-Y165 WeakPolarHBondContact O-CE2 3.32Å
166V94.3Very high94.5Very high15 Ų1571.4 Ų71.49%0.09134%0.335CS..SBendtrans-146.3151.8-179.5-71.50000111L124 A136 N168 Q169 L172L124-V166 HydrophobicContact CD1-CG1 3.82Å; L124-V166 HydrophobicContact CD2-CG1 4.09Å; L124-V166 HydrophobicContact CG-CG1 3.68Å; A136-V166 HydrophobicContact CB-CG1 4.22Å; V166-N168 PolarHBondContact O-N 2.78Å; V166-N168 VanDerWaalsContact O-N 3.17Å; V166-Q169 HydrophobicContact CG2-CB 4.04Å; V166-Q169 PolarHBondContact O-N 2.85Å; V166-L172 HydrophobicContact CG2-CD1 4.12Å
167P87.4Confident94.6Very high94 Ų9471.7 Ų71.761%0.6134%0.336SS*.THydrogen-bonded Turntrans-60.7-27-175.9-26.635.7000115.6
168N87.1Confident94.7Very high73 Ų7374.1 Ų74.139%0.3935%0.349SS..THydrogen-bonded Turntrans-108.426.5-174.3-62.8-4.8000112.5V166 E170 Y171V166-N168 PolarHBondContact O-N 2.78Å; V166-N168 VanDerWaalsContact O-N 3.17Å; N168-E170 PolarHBondContact O-N 3.47Å; N168-Y171 HydrophobicContact CB-CD2 4.3Å; N168-Y171 PolarHBondContact O-N 2.97Å; N168-Y171 VanDerWaalsContact O-N 3.09Å
169Q93.1Very high94.8Very high6 Ų671.9 Ų71.93%0.02834%0.339CS..G310 helixtrans-53.4-45.1-166.8-176.6158.7-60.500114.5L160 K163 V166 Y171 L172 D173 I176L160-Q169 HydrophobicContact CD2-CG 4.49Å; L160-Q169 PolarHBondContact O-NE2 2.83Å; K163-Q169 PolarHBondContact O-NE2 3.02Å; V166-Q169 HydrophobicContact CG2-CB 4.04Å; V166-Q169 PolarHBondContact O-N 2.85Å; Q169-Y171 PolarHBondContact O-N 3.26Å; Q169-L172 CarbonylContact O-C 3.53Å; Q169-L172 WeakPolarHBondContact O-CA 3.32Å; Q169-L172 WeakPolarHBondContact O-CB 3.25Å; Q169-L172 PolarHBondContact O-N 3.46Å; Q169-D173 VanDerWaalsContact CG-OD1 3.23Å; Q169-D173 WeakPolarHBondContact CG-OD1 3.27Å; Q169-D173 PolarHBondContact O-N 3.37Å; Q169-I176 HydrophobicContact CG-CD1 4.37Å
170E93.4Very high95Very high153 Ų15370 Ų7072%0.71533%0.33SS*.G310 helixtrans-53.1-32.7179.4-62.2175.5-162.800113.5N168 L172 D173N168-E170 PolarHBondContact O-N 3.47Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.93Å; E170-D173 WeakPolarHBondContact CA-OD2 3.49Å
171Y94.8Very high95.1Very high197 Ų19774.5 Ų74.577%0.77335%0.35SS*.G310 helixtrans-79.6-12.1177.8-61.2-78.9000113.3N168 Q169N168-Y171 HydrophobicContact CB-CD2 4.3Å; N168-Y171 PolarHBondContact O-N 2.97Å; N168-Y171 VanDerWaalsContact O-N 3.09Å; Q169-Y171 PolarHBondContact O-N 3.26Å
172L96.6Very high95.3Very high7 Ų775.1 Ų75.14%0.03735%0.346CS..THydrogen-bonded Turntrans-111.8-13.6-175.5-58.1-179.1000113.3D133 A136 V166 Q169 E170 H174 K175 I176D133-L172 HydrophobicContact CB-CD2 3.79Å; A136-L172 HydrophobicContact CB-CD1 4.11Å; V166-L172 HydrophobicContact CG2-CD1 4.12Å; Q169-L172 CarbonylContact O-C 3.53Å; Q169-L172 WeakPolarHBondContact O-CA 3.32Å; Q169-L172 WeakPolarHBondContact O-CB 3.25Å; Q169-L172 PolarHBondContact O-N 3.46Å; E170-L172 VanDerWaalsContact C-N 3.29Å; E170-L172 PolarHBondContact O-N 2.93Å; L172-H174 PolarHBondContact O-N 3.06Å; L172-K175 HydrophobicContact CD2-CD 4.34Å; L172-K175 CarbonylContact O-C 3.59Å; L172-K175 VanDerWaalsContact O-CA 3.32Å; L172-K175 WeakPolarHBondContact O-CA 3.24Å; L172-K175 WeakPolarHBondContact O-CB 3.2Å; L172-K175 PolarHBondContact O-N 3.43Å; L172-I176 HydrophobicContact CB-CD1 3.9Å; L172-I176 HydrophobicContact CB-CG1 4.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 2.95Å
173D96.3Very high95.5Very high32 Ų3269.9 Ų69.917%0.17132%0.319CS..Hα-helixtrans-54.6-48.4-173.1-68.3-30.6000113.7L160 Q169 E170 K175 I176 I177L160-D173 HydrophobicContact CD1-CB 4.33Å; Q169-D173 VanDerWaalsContact CG-OD1 3.23Å; Q169-D173 WeakPolarHBondContact CG-OD1 3.27Å; Q169-D173 PolarHBondContact O-N 3.37Å; E170-D173 WeakPolarHBondContact CA-OD2 3.49Å; D173-K175 PolarHBondContact O-N 3.44Å; D173-I176 PolarHBondContact O-N 2.92Å; D173-I177 WeakPolarHBondContact O-CB 3.43Å; D173-I177 WeakPolarHBondContact O-CG1 3.21Å; D173-I177 PolarHBondContact O-N 2.72Å
174H96.7Very high95.7Very high157 Ų15776.5 Ų76.573%0.72734%0.342SS*.Hα-helixtrans-56.3-27.7173.9-82.6-49000113.9L172 K178L172-H174 PolarHBondContact O-N 3.06Å; H174-K178 WeakPolarHBondContact O-CB 3.24Å; H174-K178 PolarHBondContact O-N 3.47Å
175K98.3Very high95.9Very high67 Ų6773.6 Ų73.629%0.29135%0.346SS..Hα-helixtrans-87.1-39.3180-169.3-175.8-173.9-178.10111.3D133 N134 A137 L172 D173 K178 L179D133-K175 WeakPolarHBondContact O-CE 3.17Å; D133-K175 PolarHBondContact O-NZ 3.32Å; N134-K175 WeakPolarHBondContact OD1-CE 3.44Å; N134-K175 PolarHBondContact OD1-NZ 2.66Å; A137-K175 HydrophobicContact CB-CB 4.22Å; A137-K175 HydrophobicContact CB-CD 3.8Å; A137-K175 HydrophobicContact CB-CG 3.85Å; L172-K175 HydrophobicContact CD2-CD 4.34Å; L172-K175 CarbonylContact O-C 3.59Å; L172-K175 VanDerWaalsContact O-CA 3.32Å; L172-K175 WeakPolarHBondContact O-CA 3.24Å; L172-K175 WeakPolarHBondContact O-CB 3.2Å; L172-K175 PolarHBondContact O-N 3.43Å; D173-K175 PolarHBondContact O-N 3.44Å; K175-K178 PolarHBondContact O-N 3.05Å; K175-L179 VanDerWaalsContact O-CG 3.29Å; K175-L179 WeakPolarHBondContact O-CG 3.33Å; K175-L179 PolarHBondContact O-N 3.06Å
176I98.5Very high96Very high0 Ų075.1 Ų75.10%036%0.36CS..Hα-helixtrans-57.9-54.2171.2-67.9162.7000108.9A137 V140 L144 L160 Q169 L172 D173 K178 L179 H180A137-I176 HydrophobicContact CB-CG1 3.87Å; V140-I176 HydrophobicContact CB-CD1 4.13Å; V140-I176 HydrophobicContact CB-CG1 4.16Å; V140-I176 HydrophobicContact CB-CG2 4.27Å; V140-I176 HydrophobicContact CG1-CD1 3.94Å; V140-I176 HydrophobicContact CG1-CG1 4.26Å; V140-I176 HydrophobicContact CG1-CG2 3.8Å; L144-I176 HydrophobicContact CD1-CG2 3.6Å; L144-I176 HydrophobicContact CG-CG2 4.42Å; L160-I176 HydrophobicContact CD1-CG2 4.22Å; L160-I176 HydrophobicContact CD2-CD1 4.39Å; L160-I176 HydrophobicContact CD2-CG2 4.27Å; Q169-I176 HydrophobicContact CG-CD1 4.37Å; L172-I176 HydrophobicContact CB-CD1 3.9Å; L172-I176 HydrophobicContact CB-CG1 4.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 2.95Å; D173-I176 PolarHBondContact O-N 2.92Å; I176-K178 PolarHBondContact O-N 3.48Å; I176-L179 CarbonylContact O-C 3.55Å; I176-L179 PolarHBondContact O-N 2.76Å; I176-H180 WeakPolarHBondContact O-CB 3.2Å; I176-H180 PolarHBondContact O-N 3.4Å
177I98.2Very high96.2Very high6 Ų675.9 Ų75.93%0.03137%0.366CS..Hα-helixtrans-59.6-42.9177.9-70.1166.1000111.6Y151 D156 Y157 L160 D173 L179 H180 K181Y151-I177 HydrophobicContact CD2-CG2 4.21Å; Y151-I177 HydrophobicContact CE2-CG2 3.59Å; D156-I177 HydrophobicContact CB-CG1 4.4Å; Y157-I177 HydrophobicContact CD1-CD1 3.77Å; Y157-I177 HydrophobicContact CE1-CD1 3.29Å; Y157-I177 HydrophobicContact CE2-CD1 4.37Å; Y157-I177 HydrophobicContact CG-CD1 4.47Å; L160-I177 HydrophobicContact CD1-CD1 4.18Å; L160-I177 HydrophobicContact CD1-CG1 4.06Å; D173-I177 WeakPolarHBondContact O-CB 3.43Å; D173-I177 WeakPolarHBondContact O-CG1 3.21Å; D173-I177 PolarHBondContact O-N 2.72Å; I177-L179 PolarHBondContact O-N 3.14Å; I177-H180 PolarHBondContact O-N 3.24Å; I177-K181 HydrophobicContact CG2-CD 4.1Å; I177-K181 WeakPolarHBondContact O-CB 3.35Å; I177-K181 WeakPolarHBondContact O-CG 3.37Å; I177-K181 PolarHBondContact O-N 3.22Å
178K98.4Very high96.6Very high141 Ų14172.6 Ų72.661%0.61334%0.344SS*.Hα-helixtrans-65.3-20.6176.6-179.7172.3-175.51760113.8H174 K175 I176 R182H174-K178 WeakPolarHBondContact O-CB 3.24Å; H174-K178 PolarHBondContact O-N 3.47Å; K175-K178 PolarHBondContact O-N 3.05Å; I176-K178 PolarHBondContact O-N 3.48Å; K178-R182 PolarHBondContact O-NE 3.08Å
179L98.6Very high97Very high27 Ų2771 Ų7114%0.14134%0.341CS..Hα-helixtrans-90.9-41.7172.2-68.4169.1000111A137 L138 S141 K175 I176 I177 K181 R182A137-L179 HydrophobicContact CB-CD1 4.05Å; L138-L179 HydrophobicContact CB-CD1 4.13Å; L138-L179 HydrophobicContact CD1-CD1 4.31Å; L138-L179 HydrophobicContact CD1-CD2 4.43Å; S141-L179 WeakPolarHBondContact OG-CB 3.24Å; K175-L179 VanDerWaalsContact O-CG 3.29Å; K175-L179 WeakPolarHBondContact O-CG 3.33Å; K175-L179 PolarHBondContact O-N 3.06Å; I176-L179 CarbonylContact O-C 3.55Å; I176-L179 PolarHBondContact O-N 2.76Å; I177-L179 PolarHBondContact O-N 3.14Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.59Å; L179-R182 VanDerWaalsContact O-CB 3.23Å; L179-R182 WeakPolarHBondContact O-CB 3.2Å; L179-R182 WeakPolarHBondContact O-CG 3.42Å; L179-R182 PolarHBondContact O-N 3.46Å
180H98.6Very high97.2Very high0 Ų074.5 Ų74.50%036%0.36CS..Hα-helixtrans-58.1-43.2178.8-170.6-150.1000111.9S141 L144 Q145 G149 D156 I176 I177 R182 H183S141-H180 PolarHBondContact O-CD2 3.26Å; L144-H180 HydrophobicContact CD1-CB 4.27Å; Q145-H180 WeakPolarHBondContact CA-NE2 3.31Å; Q145-H180 PolarHBondContact N-NE2 3.25Å; G149-H180 PolarHBondContact O-CE1 3.25Å; G149-H180 PolarHBondContact O-NE2 2.89Å; D156-H180 VanDerWaalsContact CG-ND1 3.27Å; D156-H180 IonicContact OD1-CE1 2.75Å; D156-H180 IonicContact OD1-CG 3.7Å; D156-H180 IonicContact OD1-ND1 3.06Å; D156-H180 PolarHBondContact OD1-ND1 3.48Å; D156-H180 IonicContact OD2-CE1 3.74Å; D156-H180 PolarHBondContact OD2-CE1 3.15Å; D156-H180 IonicContact OD2-ND1 3.37Å; D156-H180 PolarHBondContact OD2-ND1 3.32Å; I176-H180 WeakPolarHBondContact O-CB 3.2Å; I176-H180 PolarHBondContact O-N 3.4Å; I177-H180 PolarHBondContact O-N 3.24Å; H180-R182 PolarHBondContact O-N 2.81Å; H180-H183 PolarHBondContact O-N 2.95Å
181K98.4Very high97.4Very high99 Ų9967.2 Ų67.243%0.4333%0.327SS..THydrogen-bonded Turntrans-53.7-12.7172.1-75.1175.3177-179.40115.5Y151 I177 L179Y151-K181 HydrophobicContact CD1-CD 4.34Å; Y151-K181 VanDerWaalsContact CD1-CE 3.45Å; Y151-K181 HydrophobicContact CD1-CG 3.85Å; Y151-K181 HydrophobicContact CD2-CD 4.47Å; Y151-K181 HydrophobicContact CD2-CG 3.85Å; Y151-K181 HydrophobicContact CE1-CD 4.32Å; Y151-K181 HydrophobicContact CE1-CG 4.32Å; Y151-K181 HydrophobicContact CE2-CD 4.48Å; Y151-K181 HydrophobicContact CE2-CG 4.34Å; Y151-K181 HydrophobicContact CG-CD 4.42Å; Y151-K181 HydrophobicContact CG-CG 3.6Å; Y151-K181 VanDerWaalsContact CZ-NZ 3.28Å; Y151-K181 VanDerWaalsContact OH-CE 3.26Å; Y151-K181 WeakPolarHBondContact OH-CE 3.43Å; Y151-K181 PolarHBondContact OH-NZ 2.84Å; I177-K181 HydrophobicContact CG2-CD 4.1Å; I177-K181 WeakPolarHBondContact O-CB 3.35Å; I177-K181 WeakPolarHBondContact O-CG 3.37Å; I177-K181 PolarHBondContact O-N 3.22Å; L179-K181 VanDerWaalsContact C-N 3.32Å; L179-K181 PolarHBondContact O-N 2.59Å
182R98.2Very high97.6Very high167 Ų16758.1 Ų58.163%0.6329%0.291SS*.THydrogen-bonded Turntrans-97.6-17.7179.2-51.1173.7-178.2-149.9-14.8113.6K178 L179 H180 R184K178-R182 PolarHBondContact O-NE 3.08Å; L179-R182 VanDerWaalsContact O-CB 3.23Å; L179-R182 WeakPolarHBondContact O-CB 3.2Å; L179-R182 WeakPolarHBondContact O-CG 3.42Å; L179-R182 PolarHBondContact O-N 3.46Å; H180-R182 PolarHBondContact O-N 2.81Å; R182-R184 VanDerWaalsContact C-N 3.28Å
183H97.9Very high97.5Very high29 Ų2960.4 Ų60.413%0.13430%0.303CS..SBendtrans-88.31.1-175.5-54.6-33000112.8S141 H142 Q145 H180 G185 A186S141-H183 PolarHBondContact O-CD2 3.46Å; S141-H183 PolarHBondContact OG-NE2 2.98Å; H142-H183 AromaticContact CE1-CE1 3.17Å; H142-H183 PolarHBondContact CE1-CE1 3.18Å; H142-H183 AromaticContact CE1-ND1 3.62Å; H142-H183 AromaticContact CE1-NE2 3.42Å; H142-H183 PolarHBondContact CE1-NE2 3.31Å; H142-H183 AromaticContact CG-NE2 4Å; H142-H183 AromaticContact ND1-CD2 3.72Å; H142-H183 AromaticContact ND1-CE1 3.66Å; H142-H183 AromaticContact ND1-NE2 3.47Å; H142-H183 PolarHBondContact ND1-NE2 2.82Å; H142-H183 AromaticContact NE2-CE1 3.74Å; H142-H183 AromaticContact NE2-NE2 3.91Å; Q145-H183 HydrophobicContact CB-CB 4.17Å; Q145-H183 HydrophobicContact CG-CB 3.87Å; Q145-H183 PolarHBondContact NE2-O 3.24Å; Q145-H183 PolarHBondContact OE1-O 3.4Å; H180-H183 PolarHBondContact O-N 2.95Å; H183-G185 PolarHBondContact O-N 2.89Å; H183-A186 WeakPolarHBondContact O-CB 3.49Å; H183-A186 PolarHBondContact O-N 3.28Å
184R97.3Very high97.6Very high207 Ų20763.4 Ų63.478%0.78132%0.316SS*.THydrogen-bonded Turntrans-45.4125.1-178.1-165.6-169.8179.7-171.41.1112.5D150 R182D150-R184 HydrophobicContact CB-CG 4.32Å; D150-R184 WeakPolarHBondContact OD1-CA 3.49Å; D150-R184 WeakPolarHBondContact OD2-CG 3.42Å; D150-R184 IonicContact OD2-NE 2.82Å; R182-R184 VanDerWaalsContact C-N 3.28Å
185G96.7Very high97.7Very high65 Ų6556 Ų5667%0.6728%0.281SS*.THydrogen-bonded Turntrans87.1-5.5-177.600000115.1D150 H183D150-G185 PolarHBondContact OD1-N 3.31Å; D150-G185 PolarHBondContact OD2-N 3.45Å; H183-G185 PolarHBondContact O-N 2.89Å
186A97.4Very high97.7Very high35 Ų3552.8 Ų52.829%0.28927%0.267SS..  trans-74.5132.117200000110.6Q145 H183Q145-A186 HydrophobicContact CG-CB 4.21Å; Q145-A186 PolarHBondContact NE2-O 3.26Å; H183-A186 WeakPolarHBondContact O-CB 3.49Å; H183-A186 PolarHBondContact O-N 3.28Å
187S97.6Very high97.6Very high31 Ų3154.6 Ų54.622%0.21728%0.276CS..  trans-72.4159.4176.982.80000111.2A189 D190 A191S187-A189 PolarHBondContact O-N 3.11Å; S187-A189 VanDerWaalsContact O-N 3.11Å; S187-A189 PolarHBondContact OG-N 3.2Å; S187-D190 VanDerWaalsContact CB-OD2 3.25Å; S187-D190 WeakPolarHBondContact CB-OD2 3.41Å; S187-D190 PolarHBondContact N-OD2 3.35Å; S187-D190 PolarHBondContact O-N 3.35Å; S187-D190 VanDerWaalsContact OG-CG 3.31Å; S187-D190 PolarHBondContact OG-N 3.26Å; S187-D190 PolarHBondContact OG-OD2 2.89Å; S187-A191 PolarHBondContact O-N 3.06Å
188P97.4Very high97.6Very high25 Ų2555.4 Ų55.416%0.16228%0.281CS..Hα-helixtrans-54.8-31.4175.4-29.637000114.1D192 R344P188-D192 WeakPolarHBondContact O-CB 3.44Å; P188-D192 PolarHBondContact O-N 3.4Å; P188-R344 HydrophobicContact CB-CB 4.33Å; P188-R344 HydrophobicContact CB-CG 4.28Å
189A95.8Very high97.5Very high39 Ų3948.7 Ų48.732%0.32225%0.252SS..Hα-helixtrans-73.2-33.8176.800000112.8S187 I193S187-A189 PolarHBondContact O-N 3.11Å; S187-A189 VanDerWaalsContact O-N 3.11Å; S187-A189 PolarHBondContact OG-N 3.2Å; A189-I193 WeakPolarHBondContact O-CD1 3.49Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.36Å; A189-I193 PolarHBondContact O-N 3.03Å; A189-I193 VanDerWaalsContact O-N 3.14Å
190D96.8Very high97.4Very high80 Ų8051.7 Ų51.743%0.42826%0.261SS..Hα-helixtrans-74.4-39.5174.9-54.7-56.5000110.6S187 I193 Q194S187-D190 VanDerWaalsContact CB-OD2 3.25Å; S187-D190 WeakPolarHBondContact CB-OD2 3.41Å; S187-D190 PolarHBondContact N-OD2 3.35Å; S187-D190 PolarHBondContact O-N 3.35Å; S187-D190 VanDerWaalsContact OG-CG 3.31Å; S187-D190 PolarHBondContact OG-N 3.26Å; S187-D190 PolarHBondContact OG-OD2 2.89Å; D190-I193 WeakPolarHBondContact O-CB 3.44Å; D190-I193 PolarHBondContact O-N 3.33Å; D190-Q194 WeakPolarHBondContact O-CG 3.4Å; D190-Q194 PolarHBondContact O-N 3.17Å
191A98Very high97.3Very high1 Ų158.2 Ų58.21%0.00829%0.29CS..Hα-helixtrans-62.3-42.5173.400000112.1Q145 S187 I193 Q194 L195Q145-A191 HydrophobicContact CB-CB 3.95Å; Q145-A191 HydrophobicContact CG-CB 3.9Å; S187-A191 PolarHBondContact O-N 3.06Å; A191-I193 VanDerWaalsContact C-N 3.32Å; A191-I193 PolarHBondContact O-N 2.91Å; A191-Q194 PolarHBondContact O-N 2.98Å; A191-L195 WeakPolarHBondContact O-CB 3.45Å; A191-L195 PolarHBondContact O-N 3.34Å
192D97.1Very high97.1Very high5 Ų554.7 Ų54.73%0.02728%0.276CS..Hα-helixtrans-62.1-36.8171.9-75.1-18000112A117 S146 P188 L196 R344A117-D192 HydrophobicContact CB-CB 3.84Å; A117-D192 WeakPolarHBondContact CB-OD1 3.42Å; S146-D192 VanDerWaalsContact CB-OD1 3.27Å; S146-D192 WeakPolarHBondContact CB-OD1 3.5Å; S146-D192 PolarHBondContact OG-OD1 2.97Å; P188-D192 WeakPolarHBondContact O-CB 3.44Å; P188-D192 PolarHBondContact O-N 3.4Å; D192-L196 WeakPolarHBondContact O-CG 3.39Å; D192-L196 PolarHBondContact O-N 3.49Å; D192-R344 IonicContact OD1-CZ 3.11Å; D192-R344 IonicContact OD1-NH1 3.95Å; D192-R344 PolarHBondContact OD1-NH1 3.08Å; D192-R344 IonicContact OD2-CZ 2.72Å; D192-R344 IonicContact OD2-NH1 2.77Å; D192-R344 PolarHBondContact OD2-NH1 3.21Å
193I96.3Very high96.7Very high56 Ų5651.5 Ų51.529%0.28727%0.271SS..Hα-helixtrans-65.7-46.9173.9-72.2163.1000111A189 D190 A191 L195 L196 E197A189-I193 WeakPolarHBondContact O-CD1 3.49Å; A189-I193 VanDerWaalsContact O-CG1 3.27Å; A189-I193 WeakPolarHBondContact O-CG1 3.36Å; A189-I193 PolarHBondContact O-N 3.03Å; A189-I193 VanDerWaalsContact O-N 3.14Å; D190-I193 WeakPolarHBondContact O-CB 3.44Å; D190-I193 PolarHBondContact O-N 3.33Å; A191-I193 VanDerWaalsContact C-N 3.32Å; A191-I193 PolarHBondContact O-N 2.91Å; I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.04Å; I193-L196 PolarHBondContact O-N 2.83Å; I193-E197 PolarHBondContact O-N 3.48Å
194Q97.7Very high96.6Very high94 Ų9450.5 Ų50.544%0.43927%0.267SS..Hα-helixtrans-64.7-35.4178.4-65.3-54.4-4000112.2D190 A191 L196 E197 V198D190-Q194 WeakPolarHBondContact O-CG 3.4Å; D190-Q194 PolarHBondContact O-N 3.17Å; A191-Q194 PolarHBondContact O-N 2.98Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; Q194-L196 PolarHBondContact O-N 2.88Å; Q194-E197 PolarHBondContact O-N 2.99Å; Q194-V198 WeakPolarHBondContact O-CG2 3.43Å; Q194-V198 PolarHBondContact O-N 2.72Å
195L98.3Very high96.5Very high1 Ų141.7 Ų41.71%0.00523%0.233CC..Hα-helixtrans-57-46.1172.3-175.169.4000111.6A117 I120 L139 H142 I143 A191 I193 V198 A199A117-L195 HydrophobicContact CB-CD2 3.92Å; I120-L195 HydrophobicContact CG2-CD1 4.37Å; I120-L195 HydrophobicContact CG2-CD2 4.28Å; I120-L195 HydrophobicContact CG2-CG 4.11Å; L139-L195 HydrophobicContact CB-CD1 3.95Å; L139-L195 HydrophobicContact CD2-CD1 3.58Å; L139-L195 HydrophobicContact CD2-CG 4.42Å; L139-L195 HydrophobicContact CG-CD1 4.38Å; L139-L195 VanDerWaalsContact O-CD1 3.26Å; L139-L195 WeakPolarHBondContact O-CD1 3.36Å; H142-L195 HydrophobicContact CB-CB 4.13Å; H142-L195 HydrophobicContact CB-CD1 4.15Å; I143-L195 HydrophobicContact CD1-CD1 4.1Å; I143-L195 HydrophobicContact CD1-CD2 4.43Å; I143-L195 HydrophobicContact CG1-CD1 3.79Å; I143-L195 HydrophobicContact CG1-CD2 3.78Å; I143-L195 HydrophobicContact CG1-CG 4.46Å; A191-L195 WeakPolarHBondContact O-CB 3.45Å; A191-L195 PolarHBondContact O-N 3.34Å; I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.04Å; L195-V198 PolarHBondContact O-N 3.12Å; L195-A199 VanDerWaalsContact O-CB 3.22Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.76Å
196L98.1Very high96.4Very high0 Ų039 Ų390%021%0.206CC..Hα-helixtrans-69.8-37.4177.4-62.9176.5000112.4P104 L107 R113 F116 I120 D192 I193 Q194 V198 A199 R200P104-L196 HydrophobicContact CB-CB 3.77Å; P104-L196 HydrophobicContact CB-CD1 4.02Å; P104-L196 HydrophobicContact CB-CG 4.49Å; P104-L196 HydrophobicContact CG-CB 3.92Å; L107-L196 HydrophobicContact CD1-CD1 4.48Å; R113-L196 HydrophobicContact CB-CD1 4.21Å; R113-L196 HydrophobicContact CG-CD1 4.48Å; F116-L196 HydrophobicContact CB-CD1 4Å; F116-L196 HydrophobicContact CB-CD2 3.89Å; I120-L196 HydrophobicContact CG1-CD2 3.8Å; D192-L196 WeakPolarHBondContact O-CG 3.39Å; D192-L196 PolarHBondContact O-N 3.49Å; I193-L196 PolarHBondContact O-N 2.83Å; Q194-L196 VanDerWaalsContact C-N 3.33Å; Q194-L196 PolarHBondContact O-N 2.88Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 2.68Å; L196-A199 PolarHBondContact O-N 3.21Å; L196-R200 WeakPolarHBondContact O-CB 3.43Å; L196-R200 PolarHBondContact O-N 2.9Å
197E96.9Very high96.3Very high39 Ų3937.6 Ų37.618%0.18219%0.194CC..Hα-helixtrans-62.6-34.6173.9-89.2-57.2115.900113.2I193 Q194 R200 K201I193-E197 PolarHBondContact O-N 3.48Å; Q194-E197 PolarHBondContact O-N 2.99Å; E197-R200 IonicContact OE1-CZ 3.74Å; E197-R200 IonicContact OE1-NE 2.57Å; E197-R200 PolarHBondContact OE1-NE 3.09Å; E197-R200 IonicContact OE1-NH2 2.63Å; E197-R200 PolarHBondContact OE1-NH2 2.97Å; E197-R200 IonicContact OE2-CZ 3.32Å; E197-R200 IonicContact OE2-NE 3.93Å; E197-R200 PolarHBondContact OE2-NE 3.39Å; E197-R200 VanDerWaalsContact OE2-NE 3.08Å; E197-R200 IonicContact OE2-NH2 3.01Å; E197-R200 PolarHBondContact OE2-NH2 2.84Å; E197-K201 VanDerWaalsContact O-CD 3.27Å; E197-K201 WeakPolarHBondContact O-CD 3.27Å; E197-K201 VanDerWaalsContact O-CE 3.26Å; E197-K201 WeakPolarHBondContact O-CE 3.48Å; E197-K201 PolarHBondContact O-NZ 3.03Å; E197-K201 IonicContact OE2-NZ 2.89Å; E197-K201 PolarHBondContact OE2-NZ 2.98Å
198V97.4Very high96.1Very high23 Ų2339.3 Ų39.314%0.13920%0.195CC..Hα-helixtrans-77.2-44.9172.8175.60000110.2L138 L139 Q194 L195 L196 R200 K201L138-V198 HydrophobicContact CD2-CG1 3.99Å; L138-V198 HydrophobicContact CD2-CG2 3.65Å; L138-V198 HydrophobicContact CG-CG1 4.34Å; L138-V198 HydrophobicContact CG-CG2 4.06Å; L139-V198 HydrophobicContact CD2-CB 3.86Å; L139-V198 HydrophobicContact CD2-CG1 3.62Å; L139-V198 HydrophobicContact CG-CG1 3.97Å; Q194-V198 WeakPolarHBondContact O-CG2 3.43Å; Q194-V198 PolarHBondContact O-N 2.72Å; L195-V198 PolarHBondContact O-N 3.12Å; L196-V198 VanDerWaalsContact C-N 3.31Å; L196-V198 PolarHBondContact O-N 2.68Å; V198-R200 PolarHBondContact O-N 3.47Å; V198-K201 PolarHBondContact O-N 2.98Å
199A97.8Very high96Very high0 Ų040.8 Ų40.80%021%0.205CC..Hα-helixtrans-62.1-43.1-175.400000113.2I120 L129 L139 L195 L196 K201 L202 Y205I120-A199 HydrophobicContact CD1-CB 3.98Å; I120-A199 HydrophobicContact CG1-CB 4.01Å; I120-A199 HydrophobicContact CG2-CB 3.83Å; L129-A199 HydrophobicContact CD2-CB 4.47Å; L139-A199 HydrophobicContact CD2-CB 4.08Å; L195-A199 VanDerWaalsContact O-CB 3.22Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 2.76Å; L196-A199 PolarHBondContact O-N 3.21Å; A199-K201 PolarHBondContact O-N 3.22Å; A199-L202 WeakPolarHBondContact O-CB 3.4Å; A199-L202 PolarHBondContact O-N 3.3Å; A199-Y205 HydrophobicContact CB-CD2 4.14Å; A199-Y205 HydrophobicContact CB-CE2 4.45Å; A199-Y205 WeakPolarHBondContact O-CB 3.25Å
200R95.9Very high95.9Very high89 Ų8941.3 Ų41.334%0.33620%0.201SC..THydrogen-bonded Turntrans-61.7-16.2-17877.6-173.8-179.296.6-7.1114.9L196 E197 V198 L202 Y205L196-R200 WeakPolarHBondContact O-CB 3.43Å; L196-R200 PolarHBondContact O-N 2.9Å; E197-R200 IonicContact OE1-CZ 3.74Å; E197-R200 IonicContact OE1-NE 2.57Å; E197-R200 PolarHBondContact OE1-NE 3.09Å; E197-R200 IonicContact OE1-NH2 2.63Å; E197-R200 PolarHBondContact OE1-NH2 2.97Å; E197-R200 IonicContact OE2-CZ 3.32Å; E197-R200 IonicContact OE2-NE 3.93Å; E197-R200 PolarHBondContact OE2-NE 3.39Å; E197-R200 VanDerWaalsContact OE2-NE 3.08Å; E197-R200 IonicContact OE2-NH2 3.01Å; E197-R200 PolarHBondContact OE2-NH2 2.84Å; V198-R200 PolarHBondContact O-N 3.47Å; R200-L202 VanDerWaalsContact C-N 3.32Å; R200-Y205 HydrophobicContact CB-CD1 4.26Å; R200-Y205 HydrophobicContact CB-CD2 4.45Å; R200-Y205 HydrophobicContact CB-CE1 4.08Å; R200-Y205 HydrophobicContact CB-CE2 4.29Å; R200-Y205 HydrophobicContact CB-CG 4.44Å
201K95.4Very high95.8Very high138 Ų13840.7 Ų40.760%0.621%0.207SC*.THydrogen-bonded Turntrans-88.2-0.3-179.2-62.6170-178.7125.20112.3E197 V198 A199E197-K201 VanDerWaalsContact O-CD 3.27Å; E197-K201 WeakPolarHBondContact O-CD 3.27Å; E197-K201 VanDerWaalsContact O-CE 3.26Å; E197-K201 WeakPolarHBondContact O-CE 3.48Å; E197-K201 PolarHBondContact O-NZ 3.03Å; E197-K201 IonicContact OE2-NZ 2.89Å; E197-K201 PolarHBondContact OE2-NZ 2.98Å; V198-K201 PolarHBondContact O-N 2.98Å; A199-K201 PolarHBondContact O-N 3.22Å
202L94.2Very high95.7Very high25 Ų2541 Ų4113%0.13121%0.208CC..SBendtrans-95.1137.1179.2-59.7174.8000111.7L129 C131 L139 A199 R200 M204 Y205L129-L202 HydrophobicContact CD1-CB 4.17Å; L129-L202 HydrophobicContact CD1-CD1 3.84Å; L129-L202 HydrophobicContact CD2-CD1 4.13Å; L129-L202 HydrophobicContact CG-CD1 3.9Å; C131-L202 HydrophobicContact CB-CD1 3.72Å; C131-L202 HydrophobicContact CB-CD2 3.65Å; C131-L202 HydrophobicContact CB-CG 4.29Å; L139-L202 HydrophobicContact CD1-CD1 3.94Å; A199-L202 WeakPolarHBondContact O-CB 3.4Å; A199-L202 PolarHBondContact O-N 3.3Å; R200-L202 VanDerWaalsContact C-N 3.32Å; L202-M204 PolarHBondContact O-N 3.01Å; L202-Y205 VanDerWaalsContact O-CB 3.26Å; L202-Y205 WeakPolarHBondContact O-CB 3.36Å; L202-Y205 PolarHBondContact O-N 3.02Å
203D91.4Very high95.6Very high100 Ų10043.7 Ų43.754%0.53522%0.223SC..THydrogen-bonded Turntrans-56.4-25.5179.6-91.1-57.9000114.8I207 K238D203-I207 VanDerWaalsContact O-CG1 3.28Å; D203-I207 WeakPolarHBondContact O-CG1 3.32Å; D203-K238 WeakPolarHBondContact OD1-CE 3.44Å; D203-K238 IonicContact OD1-NZ 2.79Å; D203-K238 PolarHBondContact OD1-NZ 3.47Å
204M94.6Very high95.3Very high8 Ų843.3 Ų43.34%0.03922%0.222CC..THydrogen-bonded Turntrans-97.66.9179.7-64.9-57.5-69.500114.2L129 T130 L202 G206 I207 P209 F232 N236L129-M204 HydrophobicContact CD1-CB 4.4Å; T130-M204 VanDerWaalsContact OG1-CG 3.25Å; T130-M204 WeakPolarHBondContact OG1-CG 3.48Å; L202-M204 PolarHBondContact O-N 3.01Å; M204-G206 PolarHBondContact O-N 2.6Å; M204-I207 HydrophobicContact CE-CB 3.91Å; M204-I207 HydrophobicContact CE-CG2 3.64Å; M204-I207 PolarHBondContact O-N 2.87Å; M204-I207 VanDerWaalsContact O-N 3.09Å; M204-I207 HydrophobicContact SD-CB 4.15Å; M204-I207 HydrophobicContact SD-CG1 4.4Å; M204-I207 HydrophobicContact SD-CG2 4Å; M204-P209 HydrophobicContact CE-CG 3.96Å; M204-F232 HydrophobicContact SD-CE1 3.97Å; M204-F232 HydrophobicContact SD-CZ 4.39Å; M204-N236 HydrophobicContact CE-CB 4.37Å; M204-N236 HydrophobicContact SD-CB 4.01Å
205Y95.6Very high94.4Very high21 Ų2141.5 Ų41.58%0.08223%0.228CC..THydrogen-bonded Turntrans-58.9118.2175.9173.2-105.3000111.8F100 P101 I120 A199 R200 L202 I207F100-Y205 HydrophobicContact CB-CE1 4.05Å; F100-Y205 HydrophobicContact CD1-CE1 4.43Å; F100-Y205 HydrophobicContact CD1-CE2 4.05Å; F100-Y205 AromaticContact CD1-CZ 3.96Å; P101-Y205 WeakPolarHBondContact O-CE1 3.47Å; P101-Y205 PolarHBondContact O-OH 3.45Å; I120-Y205 HydrophobicContact CD1-CD2 3.92Å; I120-Y205 HydrophobicContact CD1-CE2 3.98Å; A199-Y205 HydrophobicContact CB-CD2 4.14Å; A199-Y205 HydrophobicContact CB-CE2 4.45Å; A199-Y205 WeakPolarHBondContact O-CB 3.25Å; R200-Y205 HydrophobicContact CB-CD1 4.26Å; R200-Y205 HydrophobicContact CB-CD2 4.45Å; R200-Y205 HydrophobicContact CB-CE1 4.08Å; R200-Y205 HydrophobicContact CB-CE2 4.29Å; R200-Y205 HydrophobicContact CB-CG 4.44Å; L202-Y205 VanDerWaalsContact O-CB 3.26Å; L202-Y205 WeakPolarHBondContact O-CB 3.36Å; L202-Y205 PolarHBondContact O-N 3.02Å; Y205-I207 PolarHBondContact O-N 2.8Å; Y205-I207 VanDerWaalsContact O-N 3.12Å
206G94.4Very high93.7Very high9 Ų949.3 Ų49.39%0.09327%0.265CS..THydrogen-bonded Turntrans67.12.8-17700000115.5F100 M204 R208F100-G206 VanDerWaalsContact CD2-CA 3.41Å; F100-G206 VanDerWaalsContact CG-CA 3.45Å; M204-G206 PolarHBondContact O-N 2.6Å; G206-R208 PolarHBondContact O-N 3.3Å
207I95.3Very high93Very high6 Ų651.6 Ų51.63%0.03129%0.289CS..  trans-76.8121.4-174.8-59.1-53.9000110.6D203 M204 Y205 P209 A223 T225 L230 F232D203-I207 VanDerWaalsContact O-CG1 3.28Å; D203-I207 WeakPolarHBondContact O-CG1 3.32Å; M204-I207 HydrophobicContact CE-CB 3.91Å; M204-I207 HydrophobicContact CE-CG2 3.64Å; M204-I207 PolarHBondContact O-N 2.87Å; M204-I207 VanDerWaalsContact O-N 3.09Å; M204-I207 HydrophobicContact SD-CB 4.15Å; M204-I207 HydrophobicContact SD-CG1 4.4Å; M204-I207 HydrophobicContact SD-CG2 4Å; Y205-I207 PolarHBondContact O-N 2.8Å; Y205-I207 VanDerWaalsContact O-N 3.12Å; I207-P209 HydrophobicContact CG2-CG 4.06Å; I207-A223 HydrophobicContact CG2-CB 3.85Å; I207-T225 HydrophobicContact CD1-CG2 3.42Å; I207-T225 VanDerWaalsContact CD1-CG2 3.42Å; I207-L230 HydrophobicContact CD1-CD2 3.95Å; I207-F232 HydrophobicContact CD1-CZ 4.23Å; I207-F232 HydrophobicContact CG1-CZ 4.13Å; I207-F232 HydrophobicContact CG2-CE2 3.83Å; I207-F232 HydrophobicContact CG2-CZ 3.82Å
208R93.8Very high92.7Very high67 Ų6753.3 Ų53.325%0.25330%0.297SS..  trans-113.398.1169.9-58.6-57.7-173.7-165.7-4.2109.4Q119 D123 S128 G206 H210Q119-R208 VanDerWaalsContact NE2-NH2 3.2Å; D123-R208 VanDerWaalsContact CG-NH2 3.26Å; D123-R208 IonicContact OD1-CZ 3.93Å; D123-R208 VanDerWaalsContact OD1-CZ 3.32Å; D123-R208 IonicContact OD1-NH1 3.18Å; D123-R208 PolarHBondContact OD1-NH1 2.9Å; D123-R208 IonicContact OD1-NH2 3Å; D123-R208 PolarHBondContact OD1-NH2 3.42Å; D123-R208 IonicContact OD2-CZ 3.81Å; D123-R208 IonicContact OD2-NH1 2.81Å; D123-R208 IonicContact OD2-NH2 2.66Å; D123-R208 PolarHBondContact OD2-NH2 2.72Å; S128-R208 PolarHBondContact OG-NH1 2.94Å; G206-R208 PolarHBondContact O-N 3.3Å; R208-H210 PolarHBondContact O-CD2 2.93Å
209P94.3Very high92.5Very high56 Ų5660.1 Ų60.136%0.36432%0.321SS..  trans-74.5139-175.3-14.428.8000113.1M204 I207 N221M204-P209 HydrophobicContact CE-CG 3.96Å; I207-P209 HydrophobicContact CG2-CG 4.06Å; P209-N221 HydrophobicContact CB-CB 3.67Å
210H94.4Very high92.4Very high50 Ų5060.5 Ų60.523%0.23132%0.323CS..EExtended strand (participates in β ladder)trans-118.5116.8172.3-71.8-94.2000110.9R208 A212 N221 L222 M277 F286 M289R208-H210 PolarHBondContact O-CD2 2.93Å; H210-A212 PolarHBondContact O-N 3.28Å; H210-N221 CarbonylContact O-C 3.6Å; H210-N221 WeakPolarHBondContact O-CA 3.17Å; H210-L222 PolarHBondContact N-O 2.92Å; H210-L222 PolarHBondContact O-N 3.43Å; H210-M277 HydrophobicContact CB-CE 3.7Å; H210-F286 HydrophobicContact CB-CD2 3.92Å; H210-F286 HydrophobicContact CB-CE2 4.24Å; H210-F286 AromaticContact CD2-CD2 3.66Å; H210-F286 AromaticContact CD2-CE2 3.92Å; H210-F286 AromaticContact CG-CD2 3.74Å; H210-M289 WeakPolarHBondContact NE2-CE 3.24Å
211A94.7Very high92.4Very high67 Ų6758 Ų5855%0.55432%0.316SS*.EExtended strand (participates in β ladder)trans-60.2132.9-178.900000113N221A211-N221 WeakPolarHBondContact CA-OD1 3.45Å; A211-N221 PolarHBondContact N-OD1 3.29Å
212A95.8Very high92.5Very high6 Ų651.4 Ų51.45%0.0529%0.287CS..EExtended strand (participates in β ladder)trans-150.717617900000111.4H210 I220 L222 A276 M277H210-A212 PolarHBondContact O-N 3.28Å; A212-I220 HydrophobicContact CB-CD1 4.36Å; A212-I220 HydrophobicContact CB-CG1 4.12Å; A212-I220 PolarHBondContact N-O 3.42Å; A212-I220 VanDerWaalsContact O-CG1 3.32Å; A212-I220 WeakPolarHBondContact O-CG1 3.39Å; A212-I220 PolarHBondContact O-N 3.49Å; A212-L222 HydrophobicContact CB-CD1 4.23Å; A212-L222 HydrophobicContact CB-CG 4.1Å; A212-A276 CarbonylContact C-O 3.6Å; A212-A276 VanDerWaalsContact CA-O 3.32Å; A212-A276 WeakPolarHBondContact CA-O 3.49Å; A212-M277 HydrophobicContact CB-CG 4.1Å
213N94.6Very high92.7Very high62 Ų6250.2 Ų50.233%0.33228%0.281SS..EExtended strand (participates in β ladder)trans-123148.5166.8-61.285.3000109.8G215 G217 M218 F275 A276N213-G215 PolarHBondContact O-N 2.93Å; N213-G217 PolarHBondContact ND2-O 3.35Å; N213-M218 VanDerWaalsContact CA-O 3.24Å; N213-M218 WeakPolarHBondContact CA-O 3.27Å; N213-M218 PolarHBondContact ND2-O 3Å; N213-F275 CarbonylContact O-C 3.59Å; N213-F275 VanDerWaalsContact O-CA 3.25Å; N213-F275 WeakPolarHBondContact O-CA 3.43Å; N213-A276 PolarHBondContact N-O 2.98Å; N213-A276 PolarHBondContact O-N 2.94Å
214D90.2Very high93Very high48 Ų4845.7 Ų45.726%0.25726%0.257SS..  trans-70-3.3176.964.5-11.7000115.7E216 G217 M218 I220 E274D214-E216 VanDerWaalsContact C-N 3.3Å; D214-E216 PolarHBondContact O-N 3.31Å; D214-E216 PolarHBondContact OD1-N 3.47Å; D214-G217 PolarHBondContact OD1-N 2.89Å; D214-M218 HydrophobicContact CB-CB 4.49Å; D214-M218 PolarHBondContact N-O 3.44Å; D214-M218 PolarHBondContact OD1-N 3.15Å; D214-M218 WeakPolarHBondContact OD2-CB 3.26Å; D214-I220 HydrophobicContact CB-CD1 4.44Å; D214-E274 CarbonylContact C-O 3.58Å
215G79.1Confident93.1Very high56 Ų5646 Ų4658%0.57726%0.26SS*.SBendtrans89.9-21.4-174.200000114.4N213N213-G215 PolarHBondContact O-N 2.93Å
216E84.4Confident93.1Very high165 Ų16547.8 Ų47.877%0.77127%0.268SS*.SBendtrans-92.8-20.6175.4-55.1-166.8171.200111.5D214D214-E216 VanDerWaalsContact C-N 3.3Å; D214-E216 PolarHBondContact O-N 3.31Å; D214-E216 PolarHBondContact OD1-N 3.47Å
217G82.6Confident93.1Very high49 Ų4949.6 Ų49.651%0.50528%0.28SS..SBendtrans133.3-14.8167.600000114N213 D214 R219N213-G217 PolarHBondContact ND2-O 3.35Å; D214-G217 PolarHBondContact OD1-N 2.89Å; G217-R219 PolarHBondContact O-N 3.14Å
218M90.8Very high93.2Very high74 Ų7449.3 Ų49.337%0.36528%0.278SS..  trans-59.4133.3-178.2-169177.9169.700110.7N213 D214 I220 Q233 I239N213-M218 VanDerWaalsContact CA-O 3.24Å; N213-M218 WeakPolarHBondContact CA-O 3.27Å; N213-M218 PolarHBondContact ND2-O 3Å; D214-M218 HydrophobicContact CB-CB 4.49Å; D214-M218 PolarHBondContact N-O 3.44Å; D214-M218 PolarHBondContact OD1-N 3.15Å; D214-M218 WeakPolarHBondContact OD2-CB 3.26Å; M218-I220 HydrophobicContact CE-CG2 4.42Å; M218-I220 HydrophobicContact CG-CG2 4.2Å; M218-I220 HydrophobicContact SD-CG2 4.35Å; M218-Q233 HydrophobicContact CE-CB 4.38Å; M218-Q233 VanDerWaalsContact CE-CD 3.49Å; M218-Q233 HydrophobicContact CE-CG 3.6Å; M218-I239 HydrophobicContact CE-CD1 3.9Å
219R93.9Very high93.4Very high167 Ų16746.1 Ų46.163%0.6327%0.266SS*.EExtended strand (participates in β ladder)trans-78.8124171.5-66.4-172.8-60.3-100.5-3.6109.3G217G217-R219 PolarHBondContact O-N 3.14Å
220I95.9Very high93.5Very high8 Ų844 Ų444%0.04125%0.252CS..EExtended strand (participates in β ladder)trans-132.7168.5179.756.9166.1000109.6A212 D214 M218 L222 V231 F232 I239 F275A212-I220 HydrophobicContact CB-CD1 4.36Å; A212-I220 HydrophobicContact CB-CG1 4.12Å; A212-I220 PolarHBondContact N-O 3.42Å; A212-I220 VanDerWaalsContact O-CG1 3.32Å; A212-I220 WeakPolarHBondContact O-CG1 3.39Å; A212-I220 PolarHBondContact O-N 3.49Å; D214-I220 HydrophobicContact CB-CD1 4.44Å; M218-I220 HydrophobicContact CE-CG2 4.42Å; M218-I220 HydrophobicContact CG-CG2 4.2Å; M218-I220 HydrophobicContact SD-CG2 4.35Å; I220-L222 HydrophobicContact CD1-CD2 4.05Å; I220-V231 HydrophobicContact CB-CG1 4.25Å; I220-V231 HydrophobicContact CD1-CG1 4.05Å; I220-V231 HydrophobicContact CG2-CG1 4.3Å; I220-F232 CarbonylContact C-O 3.55Å; I220-F232 VanDerWaalsContact CA-O 3.26Å; I220-F232 WeakPolarHBondContact CA-O 3.14Å; I220-F232 WeakPolarHBondContact CB-O 3.25Å; I220-I239 HydrophobicContact CG2-CD1 4.31Å; I220-F275 HydrophobicContact CD1-CD1 3.48Å; I220-F275 VanDerWaalsContact CD1-CD1 3.48Å; I220-F275 HydrophobicContact CD1-CE1 3.78Å; I220-F275 HydrophobicContact CD1-CG 4.5Å
221N95.9Very high93.6Very high35 Ų3542 Ų4219%0.18724%0.243CC..EExtended strand (participates in β ladder)trans-119.3140.6161.7-58.4-73.7000110P209 H210 A211 F232P209-N221 HydrophobicContact CB-CB 3.67Å; H210-N221 CarbonylContact O-C 3.6Å; H210-N221 WeakPolarHBondContact O-CA 3.17Å; A211-N221 WeakPolarHBondContact CA-OD1 3.45Å; A211-N221 PolarHBondContact N-OD1 3.29Å; N221-F232 HydrophobicContact CB-CB 4.34Å; N221-F232 PolarHBondContact N-O 2.84Å; N221-F232 PolarHBondContact O-N 2.83Å
222L97.2Very high93.6Very high0 Ų038.9 Ų38.90%022%0.217CC..EExtended strand (participates in β ladder)trans-98.7141.8168.5-57179.8000109.6H210 A212 I220 L230 V231 F257 F275 M277 F286H210-L222 PolarHBondContact N-O 2.92Å; H210-L222 PolarHBondContact O-N 3.43Å; A212-L222 HydrophobicContact CB-CD1 4.23Å; A212-L222 HydrophobicContact CB-CG 4.1Å; I220-L222 HydrophobicContact CD1-CD2 4.05Å; L222-L230 WeakPolarHBondContact CA-O 3.23Å; L222-V231 HydrophobicContact CD2-CG1 4.47Å; L222-V231 HydrophobicContact CD2-CG2 3.93Å; L222-F257 HydrophobicContact CD1-CD1 3.99Å; L222-F275 HydrophobicContact CD1-CB 3.84Å; L222-F275 HydrophobicContact CD1-CD2 4.2Å; L222-F275 HydrophobicContact CD1-CG 4.03Å; L222-F275 HydrophobicContact CD2-CD1 4.2Å; L222-F275 HydrophobicContact CD2-CD2 4.34Å; L222-F275 HydrophobicContact CD2-CE1 4.38Å; L222-F275 HydrophobicContact CD2-CG 4.17Å; L222-M277 HydrophobicContact CD1-CE 4.43Å; L222-F286 HydrophobicContact CB-CE1 3.91Å; L222-F286 HydrophobicContact CB-CE2 3.87Å; L222-F286 HydrophobicContact CB-CZ 3.44Å; L222-F286 VanDerWaalsContact CB-CZ 3.44Å; L222-F286 HydrophobicContact CD1-CD1 4.35Å; L222-F286 HydrophobicContact CD1-CE1 3.92Å; L222-F286 HydrophobicContact CD1-CZ 4.34Å
223A97.3Very high93.4Very high0 Ų042.8 Ų42.80%023%0.234CC..EExtended strand (participates in β ladder)trans-134171.9167.600000110.3I207 V229 L230 F232I207-A223 HydrophobicContact CG2-CB 3.85Å; A223-V229 WeakPolarHBondContact O-CA 3.45Å; A223-L230 HydrophobicContact CB-CB 4.42Å; A223-L230 PolarHBondContact N-O 3.42Å; A223-L230 PolarHBondContact O-N 3.39Å; A223-F232 HydrophobicContact CB-CD2 4.38Å; A223-F232 HydrophobicContact CB-CE2 3.87Å
224V97.6Very high92.8Very high6 Ų644.5 Ų44.54%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-134.2141.5175.1640000109.7G228 W244 M289 Y293V224-G228 WeakPolarHBondContact CA-O 3.44Å; V224-W244 HydrophobicContact CG2-CH2 3.54Å; V224-W244 HydrophobicContact CG2-CZ2 3.61Å; V224-M289 HydrophobicContact CG1-CB 4.11Å; V224-M289 HydrophobicContact CG1-CE 4.05Å; V224-Y293 HydrophobicContact CB-CG 4.49Å; V224-Y293 HydrophobicContact CG1-CD1 4.41Å; V224-Y293 HydrophobicContact CG1-CD2 3.75Å; V224-Y293 HydrophobicContact CG1-CE2 3.98Å; V224-Y293 HydrophobicContact CG1-CG 3.99Å; V224-Y293 HydrophobicContact CG2-CD1 4.06Å; V224-Y293 HydrophobicContact CG2-CD2 4.36Å; V224-Y293 HydrophobicContact CG2-CG 3.77Å
225T96.8Very high92.3Very high15 Ų1543.1 Ų43.19%0.09224%0.238CC..  trans-138.5179.3-178.762.20000110.3I207 S227 G228 L230 W244 Y293I207-T225 HydrophobicContact CD1-CG2 3.42Å; I207-T225 VanDerWaalsContact CD1-CG2 3.42Å; T225-S227 PolarHBondContact O-N 3.46Å; T225-S227 VanDerWaalsContact O-N 3.15Å; T225-S227 PolarHBondContact OG1-N 3.14Å; T225-S227 PolarHBondContact OG1-OG 3.35Å; T225-G228 PolarHBondContact N-O 3.02Å; T225-G228 PolarHBondContact O-N 3.33Å; T225-G228 PolarHBondContact OG1-N 3.12Å; T225-L230 HydrophobicContact CG2-CD1 3.83Å; T225-L230 HydrophobicContact CG2-CD2 4.07Å; T225-L230 VanDerWaalsContact OG1-CD1 3.29Å; T225-L230 WeakPolarHBondContact OG1-CD1 3.34Å; T225-W244 WeakPolarHBondContact O-CZ2 3.44Å; T225-Y293 WeakPolarHBondContact O-CD1 3.37Å
226H95.4Very high92.4Very high57 Ų5743 Ų4326%0.26422%0.224SC..SBendtrans-53.5-27.6169.260.4-97.3000113.3F100 W244 F297F100-H226 PolarHBondContact O-ND1 3.08Å; H226-W244 PolarHBondContact O-NE1 3.22Å; H226-F297 HydrophobicContact CB-CB 4.43Å; H226-F297 HydrophobicContact CB-CD1 3.59Å; H226-F297 HydrophobicContact CB-CD2 3.83Å; H226-F297 HydrophobicContact CB-CE1 3.65Å; H226-F297 HydrophobicContact CB-CE2 3.85Å; H226-F297 HydrophobicContact CB-CG 3.7Å; H226-F297 HydrophobicContact CB-CZ 3.77Å
227S95.1Very high92.6Very high48 Ų4839.3 Ų39.334%0.33621%0.212SC..SBendtrans-93.7-25.1-173.853.80000114.4T225 S243 W244T225-S227 PolarHBondContact O-N 3.46Å; T225-S227 VanDerWaalsContact O-N 3.15Å; T225-S227 PolarHBondContact OG1-N 3.14Å; T225-S227 PolarHBondContact OG1-OG 3.35Å; S227-S243 WeakPolarHBondContact O-CA 3.28Å; S227-W244 PolarHBondContact O-N 2.92Å; S227-W244 VanDerWaalsContact O-N 3.15Å
228G96.6Very high93.1Very high0 Ų041.6 Ų41.60%021%0.208CC..EExtended strand (participates in β ladder)trans162.2-156.6-179.400000115.4V224 T225 F242V224-G228 WeakPolarHBondContact CA-O 3.44Å; T225-G228 PolarHBondContact N-O 3.02Å; T225-G228 PolarHBondContact O-N 3.33Å; T225-G228 PolarHBondContact OG1-N 3.12Å; G228-F242 CarbonylContact C-O 3.26Å; G228-F242 VanDerWaalsContact CA-O 3.25Å; G228-F242 WeakPolarHBondContact CA-O 3.44Å
229V97.9Very high93.1Very high0 Ų042.1 Ų42.10%021%0.212CC..EExtended strand (participates in β ladder)trans-98.2122.3171.3-179.50000109.4A223 F242 W244 I247 L250 I259 F286A223-V229 WeakPolarHBondContact O-CA 3.45Å; V229-F242 PolarHBondContact N-O 3.17Å; V229-F242 PolarHBondContact O-N 3.09Å; V229-W244 HydrophobicContact CG2-CH2 4.29Å; V229-W244 HydrophobicContact CG2-CZ3 4.26Å; V229-I247 HydrophobicContact CB-CD1 4.48Å; V229-I247 HydrophobicContact CG2-CD1 4.15Å; V229-L250 HydrophobicContact CG2-CD1 4.43Å; V229-I259 HydrophobicContact CB-CD1 4.17Å; V229-I259 HydrophobicContact CG1-CD1 3.93Å; V229-F286 HydrophobicContact CG1-CE1 4.19Å; V229-F286 HydrophobicContact CG1-CZ 4.16Å
230L97.1Very high93.1Very high11 Ų1137.8 Ų37.86%0.05820%0.201CC..EExtended strand (participates in β ladder)trans-100.1146.8-177.7-77.666.6000110.6I207 L222 A223 T225 F232 K238 T241I207-L230 HydrophobicContact CD1-CD2 3.95Å; L222-L230 WeakPolarHBondContact CA-O 3.23Å; A223-L230 HydrophobicContact CB-CB 4.42Å; A223-L230 PolarHBondContact N-O 3.42Å; A223-L230 PolarHBondContact O-N 3.39Å; T225-L230 HydrophobicContact CG2-CD1 3.83Å; T225-L230 HydrophobicContact CG2-CD2 4.07Å; T225-L230 VanDerWaalsContact OG1-CD1 3.29Å; T225-L230 WeakPolarHBondContact OG1-CD1 3.34Å; L230-F232 HydrophobicContact CB-CD2 4.23Å; L230-F232 HydrophobicContact CB-CE2 3.59Å; L230-F232 HydrophobicContact CB-CZ 4.31Å; L230-F232 HydrophobicContact CD2-CE2 3.89Å; L230-F232 HydrophobicContact CD2-CZ 3.79Å; L230-F232 HydrophobicContact CG-CE2 4.4Å; L230-K238 HydrophobicContact CD2-CD 4.12Å; L230-T241 HydrophobicContact CD1-CG2 3.93Å; L230-T241 HydrophobicContact CG-CG2 4.21Å
231V95.8Very high93.1Very high9 Ų939.5 Ų39.56%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-117.7129172.3-172.50000109.3I220 L222 I239 N240 F242 F275I220-V231 HydrophobicContact CB-CG1 4.25Å; I220-V231 HydrophobicContact CD1-CG1 4.05Å; I220-V231 HydrophobicContact CG2-CG1 4.3Å; L222-V231 HydrophobicContact CD2-CG1 4.47Å; L222-V231 HydrophobicContact CD2-CG2 3.93Å; V231-I239 HydrophobicContact CG1-CD1 4.19Å; V231-I239 PolarHBondContact O-N 2.88Å; V231-N240 HydrophobicContact CB-CB 4.31Å; V231-N240 HydrophobicContact CG2-CB 4.46Å; V231-N240 PolarHBondContact N-O 3.12Å; V231-N240 PolarHBondContact O-N 2.97Å; V231-F242 HydrophobicContact CG2-CD2 4.19Å; V231-F242 HydrophobicContact CG2-CE2 3.44Å; V231-F242 VanDerWaalsContact CG2-CE2 3.44Å; V231-F242 HydrophobicContact CG2-CZ 4.18Å; V231-F275 HydrophobicContact CG2-CZ 4.32Å
232F95.1Very high93Very high0 Ų038.8 Ų38.80%021%0.207CC..EExtended strand (participates in β ladder)trans-120.1144.2178-65.8-95.1000111.1M204 I207 I220 N221 A223 L230 N236 T237 K238M204-F232 HydrophobicContact SD-CE1 3.97Å; M204-F232 HydrophobicContact SD-CZ 4.39Å; I207-F232 HydrophobicContact CD1-CZ 4.23Å; I207-F232 HydrophobicContact CG1-CZ 4.13Å; I207-F232 HydrophobicContact CG2-CE2 3.83Å; I207-F232 HydrophobicContact CG2-CZ 3.82Å; I220-F232 CarbonylContact C-O 3.55Å; I220-F232 VanDerWaalsContact CA-O 3.26Å; I220-F232 WeakPolarHBondContact CA-O 3.14Å; I220-F232 WeakPolarHBondContact CB-O 3.25Å; N221-F232 HydrophobicContact CB-CB 4.34Å; N221-F232 PolarHBondContact N-O 2.84Å; N221-F232 PolarHBondContact O-N 2.83Å; A223-F232 HydrophobicContact CB-CD2 4.38Å; A223-F232 HydrophobicContact CB-CE2 3.87Å; L230-F232 HydrophobicContact CB-CD2 4.23Å; L230-F232 HydrophobicContact CB-CE2 3.59Å; L230-F232 HydrophobicContact CB-CZ 4.31Å; L230-F232 HydrophobicContact CD2-CE2 3.89Å; L230-F232 HydrophobicContact CD2-CZ 3.79Å; L230-F232 HydrophobicContact CG-CE2 4.4Å; F232-N236 VanDerWaalsContact CD1-O 3.29Å; F232-N236 WeakPolarHBondContact CD1-O 3.47Å; F232-T237 CarbonylContact C-O 3.57Å; F232-T237 VanDerWaalsContact CA-O 3.3Å; F232-T237 WeakPolarHBondContact CA-O 3.32Å; F232-K238 HydrophobicContact CD1-CB 3.93Å; F232-K238 HydrophobicContact CE1-CB 3.75Å; F232-K238 HydrophobicContact CE1-CG 4.16Å; F232-K238 HydrophobicContact CZ-CB 4.5Å; F232-K238 HydrophobicContact CZ-CG 4.44Å
233Q91.8Very high93Very high89 Ų8940.2 Ų40.242%0.41622%0.217SC..EExtended strand (participates in β ladder)trans-77.2168.1169.5-165.9156.5-2.600110.4M218 G235 N236 T237 I239M218-Q233 HydrophobicContact CE-CB 4.38Å; M218-Q233 VanDerWaalsContact CE-CD 3.49Å; M218-Q233 HydrophobicContact CE-CG 3.6Å; Q233-G235 PolarHBondContact O-N 2.88Å; Q233-N236 PolarHBondContact O-N 2.91Å; Q233-T237 PolarHBondContact N-O 2.94Å; Q233-I239 HydrophobicContact CB-CD1 3.82Å; Q233-I239 HydrophobicContact CB-CG1 3.9Å; Q233-I239 HydrophobicContact CG-CD1 4.5Å
234Q82.3Confident92.9Very high97 Ų9740.5 Ų40.545%0.45322%0.219SC..THydrogen-bonded Turntrans-55.3132160.9-175168.1-15.900109.8Y484Q234-Y484 WeakPolarHBondContact CG-OH 3.47Å
235G78.9Confident92.7Very high20 Ų2043.9 Ų43.921%0.20625%0.247CC..THydrogen-bonded Turntrans94.810.5-171.500000115.4Q233 T237Q233-G235 PolarHBondContact O-N 2.88Å; G235-T237 PolarHBondContact O-N 2.87Å
236N82.5Confident92.5Very high53 Ų5348 Ų4828%0.28326%0.263SS..SBendtrans6314.5177.8-61.8-9.3000115.6M204 F232 Q233 K238M204-N236 HydrophobicContact CE-CB 4.37Å; M204-N236 HydrophobicContact SD-CB 4.01Å; F232-N236 VanDerWaalsContact CD1-O 3.29Å; F232-N236 WeakPolarHBondContact CD1-O 3.47Å; Q233-N236 PolarHBondContact O-N 2.91Å; N236-K238 PolarHBondContact O-N 2.85Å
237T88.4Confident92.4Very high87 Ų8745.2 Ų45.253%0.53425%0.251SS..  trans-70.8122.6170.6-48.20000110.7F232 Q233 G235 I239F232-T237 CarbonylContact C-O 3.57Å; F232-T237 VanDerWaalsContact CA-O 3.3Å; F232-T237 WeakPolarHBondContact CA-O 3.32Å; Q233-T237 PolarHBondContact N-O 2.94Å; G235-T237 PolarHBondContact O-N 2.87Å; T237-I239 PolarHBondContact O-N 3.16Å
238K92.6Very high92.2Very high97 Ų9747.2 Ų47.242%0.42225%0.251SS..EExtended strand (participates in β ladder)trans-70.9117.1177.6-173173.567.1-158.30110.6D203 L230 F232 N236D203-K238 WeakPolarHBondContact OD1-CE 3.44Å; D203-K238 IonicContact OD1-NZ 2.79Å; D203-K238 PolarHBondContact OD1-NZ 3.47Å; L230-K238 HydrophobicContact CD2-CD 4.12Å; F232-K238 HydrophobicContact CD1-CB 3.93Å; F232-K238 HydrophobicContact CE1-CB 3.75Å; F232-K238 HydrophobicContact CE1-CG 4.16Å; F232-K238 HydrophobicContact CZ-CB 4.5Å; F232-K238 HydrophobicContact CZ-CG 4.44Å; N236-K238 PolarHBondContact O-N 2.85Å
239I91.6Very high92.1Very high85 Ų8549.8 Ų49.844%0.43626%0.262SS..EExtended strand (participates in β ladder)trans-87.3-47.9178.4-48.5179000110.9M218 I220 V231 Q233 T237M218-I239 HydrophobicContact CE-CD1 3.9Å; I220-I239 HydrophobicContact CG2-CD1 4.31Å; V231-I239 HydrophobicContact CG1-CD1 4.19Å; V231-I239 PolarHBondContact O-N 2.88Å; Q233-I239 HydrophobicContact CB-CD1 3.82Å; Q233-I239 HydrophobicContact CB-CG1 3.9Å; Q233-I239 HydrophobicContact CG-CD1 4.5Å; T237-I239 PolarHBondContact O-N 3.16Å
240N93Very high91.9Very high76 Ų7649.8 Ų49.841%0.40626%0.262SS..EExtended strand (participates in β ladder)trans-153.3162.5-168.1-157.8-10.4000112V231 F242V231-N240 HydrophobicContact CB-CB 4.31Å; V231-N240 HydrophobicContact CG2-CB 4.46Å; V231-N240 PolarHBondContact N-O 3.12Å; V231-N240 PolarHBondContact O-N 2.97Å; N240-F242 WeakPolarHBondContact ND2-CE1 3.17Å
241T95.2Very high91.8Very high45 Ų4550.3 Ų50.328%0.27627%0.266SS..EExtended strand (participates in β ladder)trans-141.9109.3175.3-59.30000109.7L230 S243L230-T241 HydrophobicContact CD1-CG2 3.93Å; L230-T241 HydrophobicContact CG-CG2 4.21Å; T241-S243 PolarHBondContact O-N 3.35Å
242F95.7Very high91.7Very high19 Ų1949.9 Ų49.98%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-82.292.6170.5-51.9-62.6000107.8G228 V229 V231 N240 I247 I259 L261 L273 F275G228-F242 CarbonylContact C-O 3.26Å; G228-F242 VanDerWaalsContact CA-O 3.25Å; G228-F242 WeakPolarHBondContact CA-O 3.44Å; V229-F242 PolarHBondContact N-O 3.17Å; V229-F242 PolarHBondContact O-N 3.09Å; V231-F242 HydrophobicContact CG2-CD2 4.19Å; V231-F242 HydrophobicContact CG2-CE2 3.44Å; V231-F242 VanDerWaalsContact CG2-CE2 3.44Å; V231-F242 HydrophobicContact CG2-CZ 4.18Å; N240-F242 WeakPolarHBondContact ND2-CE1 3.17Å; F242-I247 HydrophobicContact CB-CD1 3.86Å; F242-I247 HydrophobicContact CB-CG1 4.01Å; F242-I247 WeakPolarHBondContact O-CD1 3.38Å; F242-I259 HydrophobicContact CD2-CD1 3.53Å; F242-I259 HydrophobicContact CE2-CD1 4.03Å; F242-I259 HydrophobicContact CG-CD1 4.21Å; F242-L261 HydrophobicContact CD1-CD2 4.11Å; F242-L273 HydrophobicContact CD1-CD1 4Å; F242-L273 HydrophobicContact CE1-CD1 3.33Å; F242-L273 HydrophobicContact CE2-CD1 3.98Å; F242-L273 HydrophobicContact CZ-CD1 3.32Å; F242-F275 HydrophobicContact CE2-CE2 4.17Å; F242-F275 AromaticContact CE2-CZ 3.89Å; F242-F275 HydrophobicContact CE2-CZ 3.89Å; F242-F275 HydrophobicContact CZ-CZ 4.3Å
243S96.1Very high91.5Very high30 Ų3056.8 Ų56.821%0.2129%0.294CS..EExtended strand (participates in β ladder)trans-64.5149.8178.454.40000111.5S227 T241 A245 K246S227-S243 WeakPolarHBondContact O-CA 3.28Å; T241-S243 PolarHBondContact O-N 3.35Å; S243-A245 PolarHBondContact O-N 2.96Å; S243-K246 WeakPolarHBondContact O-CA 3.43Å; S243-K246 WeakPolarHBondContact O-CB 3.43Å; S243-K246 PolarHBondContact O-N 2.88Å; S243-K246 VanDerWaalsContact OG-CD 3.26Å; S243-K246 WeakPolarHBondContact OG-CD 3.26Å; S243-K246 WeakPolarHBondContact OG-CE 3.3Å; S243-K246 WeakPolarHBondContact OG-CG 3.38Å; S243-K246 PolarHBondContact OG-NZ 3.15Å
244W96.4Very high91.5Very high7 Ų760 Ų603%0.02730%0.302CS..G310 helixtrans-51.2-49.8-174.4-62.7123.2000113.6V224 T225 H226 S227 V229 K246 I247 L250 C290 H294 K298 L674V224-W244 HydrophobicContact CG2-CH2 3.54Å; V224-W244 HydrophobicContact CG2-CZ2 3.61Å; T225-W244 WeakPolarHBondContact O-CZ2 3.44Å; H226-W244 PolarHBondContact O-NE1 3.22Å; S227-W244 PolarHBondContact O-N 2.92Å; S227-W244 VanDerWaalsContact O-N 3.15Å; V229-W244 HydrophobicContact CG2-CH2 4.29Å; V229-W244 HydrophobicContact CG2-CZ3 4.26Å; W244-K246 PolarHBondContact O-N 2.98Å; W244-I247 HydrophobicContact CE3-CD1 4.11Å; W244-I247 HydrophobicContact CZ3-CD1 4.34Å; W244-I247 PolarHBondContact O-N 2.84Å; W244-L250 HydrophobicContact CZ3-CD1 4.01Å; W244-C290 HydrophobicContact CH2-CB 4.24Å; W244-H294 HydrophobicContact CD2-CB 4.42Å; W244-H294 AromaticContact CD2-CD2 3.76Å; W244-H294 HydrophobicContact CE3-CB 4.2Å; W244-H294 AromaticContact CE3-CD2 3.69Å; W244-H294 AromaticContact CG-CD2 3.92Å; W244-H294 HydrophobicContact CH2-CB 4.29Å; W244-H294 HydrophobicContact CZ3-CB 4.13Å; W244-K298 HydrophobicContact CB-CG 4.31Å; W244-K298 HydrophobicContact CG-CG 4.21Å; W244-L674 HydrophobicContact CE3-CD1 4.18Å
245A92.4Very high92.1Very high76 Ų7660 Ų6063%0.62830%0.301SS*.G310 helixtrans-61.2-10176.400000115.6S243S243-A245 PolarHBondContact O-N 2.96Å
246K92.3Very high92.9Very high101 Ų10161.3 Ų61.344%0.43930%0.302SS..G310 helixtrans-95.7-11.6172.8-65.7175.5-170127.20112.7S243 W244 L261 H262S243-K246 WeakPolarHBondContact O-CA 3.43Å; S243-K246 WeakPolarHBondContact O-CB 3.43Å; S243-K246 PolarHBondContact O-N 2.88Å; S243-K246 VanDerWaalsContact OG-CD 3.26Å; S243-K246 WeakPolarHBondContact OG-CD 3.26Å; S243-K246 WeakPolarHBondContact OG-CE 3.3Å; S243-K246 WeakPolarHBondContact OG-CG 3.38Å; S243-K246 PolarHBondContact OG-NZ 3.15Å; W244-K246 PolarHBondContact O-N 2.98Å; K246-L261 CarbonylContact O-C 3.58Å; K246-L261 WeakPolarHBondContact O-CA 3.26Å; K246-L261 WeakPolarHBondContact O-CB 3.26Å; K246-L261 WeakPolarHBondContact O-CD2 3.35Å; K246-H262 PolarHBondContact O-N 2.84Å
247I94.1Very high93.6Very high0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-100107.9-173.8-63.4172000109.6V229 F242 W244 L250 I259 K260 L261 L674V229-I247 HydrophobicContact CB-CD1 4.48Å; V229-I247 HydrophobicContact CG2-CD1 4.15Å; F242-I247 HydrophobicContact CB-CD1 3.86Å; F242-I247 HydrophobicContact CB-CG1 4.01Å; F242-I247 WeakPolarHBondContact O-CD1 3.38Å; W244-I247 HydrophobicContact CE3-CD1 4.11Å; W244-I247 HydrophobicContact CZ3-CD1 4.34Å; W244-I247 PolarHBondContact O-N 2.84Å; I247-L250 HydrophobicContact CD1-CD2 4.41Å; I247-L250 HydrophobicContact CG2-CD2 3.6Å; I247-L250 HydrophobicContact CG2-CG 3.74Å; I247-I259 HydrophobicContact CB-CG2 4.47Å; I247-I259 HydrophobicContact CD1-CG2 4.27Å; I247-I259 HydrophobicContact CG1-CG2 3.86Å; I247-I259 HydrophobicContact CG2-CG2 4Å; I247-K260 CarbonylContact C-O 3.54Å; I247-L261 HydrophobicContact CG1-CD2 4.49Å; I247-L674 HydrophobicContact CB-CD1 4.18Å; I247-L674 HydrophobicContact CG2-CD1 4.15Å; I247-L674 WeakPolarHBondContact O-CB 3.42Å; I247-L674 WeakPolarHBondContact O-CD1 3.15Å
248R91.5Very high93.9Very high90 Ų9055.9 Ų55.934%0.3427%0.269SS..EExtended strand (participates in β ladder)trans-73.2-31.5173.3-172.3167.8-175.175.1-7.3113K260 L261 H262 Q673 L674 E676R248-K260 HydrophobicContact CB-CB 4.49Å; R248-K260 PolarHBondContact N-O 2.95Å; R248-L261 VanDerWaalsContact CB-C 3.5Å; R248-L261 WeakPolarHBondContact CB-O 3.11Å; R248-H262 VanDerWaalsContact CA-NE2 3.32Å; R248-H262 WeakPolarHBondContact CA-NE2 3.27Å; R248-H262 PolarHBondContact N-CD2 3.4Å; R248-H262 PolarHBondContact N-NE2 2.78Å; R248-H262 PolarHBondContact NH1-ND1 3.36Å; R248-Q673 VanDerWaalsContact O-CD 3.26Å; R248-Q673 PolarHBondContact O-NE2 2.88Å; R248-L674 PolarHBondContact O-N 3.42Å; R248-L674 VanDerWaalsContact O-N 3.13Å; R248-E676 IonicContact NH1-OE1 2.81Å; R248-E676 PolarHBondContact NH1-OE1 3.17Å
249K92.9Very high94Very high54 Ų5451.2 Ų51.224%0.23525%0.249CC..EExtended strand (participates in β ladder)trans-158.6135.6-173.2-155-178.5-163.871.80113K260 S671 L672K249-K260 HydrophobicContact CB-CB 3.78Å; K249-K260 HydrophobicContact CB-CD 4.38Å; K249-K260 HydrophobicContact CB-CG 4.08Å; K249-K260 HydrophobicContact CD-CD 4.28Å; K249-K260 PolarHBondContact N-O 3.17Å; K249-K260 VanDerWaalsContact N-O 3.14Å; K249-K260 PolarHBondContact O-N 3.2Å; K249-S671 WeakPolarHBondContact CE-OG 3.26Å; K249-S671 PolarHBondContact NZ-OG 3.02Å; K249-L672 WeakPolarHBondContact CA-O 3.33Å; K249-L672 WeakPolarHBondContact CG-O 3.29Å
250L95Very high94.1Very high0 Ų051.5 Ų51.50%025%0.247CC..EExtended strand (participates in β ladder)trans-112.5127165.2-64.6-175.4000111V229 W244 I247 F257 I259 W287 C290 S671 L672V229-L250 HydrophobicContact CG2-CD1 4.43Å; W244-L250 HydrophobicContact CZ3-CD1 4.01Å; I247-L250 HydrophobicContact CD1-CD2 4.41Å; I247-L250 HydrophobicContact CG2-CD2 3.6Å; I247-L250 HydrophobicContact CG2-CG 3.74Å; L250-F257 HydrophobicContact CD1-CZ 4.26Å; L250-F257 HydrophobicContact CD2-CE1 4.32Å; L250-F257 HydrophobicContact CD2-CZ 3.84Å; L250-F257 HydrophobicContact CG-CZ 4.45Å; L250-I259 HydrophobicContact CD2-CB 4.08Å; L250-I259 HydrophobicContact CD2-CD1 4.47Å; L250-I259 HydrophobicContact CD2-CG1 3.77Å; L250-I259 HydrophobicContact CD2-CG2 3.9Å; L250-W287 PolarHBondContact O-NE1 3.18Å; L250-C290 HydrophobicContact CD1-CB 3.37Å; L250-S671 WeakPolarHBondContact O-CA 3.23Å; L250-L672 HydrophobicContact CB-CB 4.33Å; L250-L672 PolarHBondContact N-O 2.96Å; L250-L672 PolarHBondContact O-N 3.36Å
251S93.8Very high94.1Very high21 Ų2149.2 Ų49.215%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-145.9169.6179.361.30000112.1L258 G670S251-L258 PolarHBondContact N-O 3.25Å; S251-L258 PolarHBondContact O-N 3.4Å; S251-G670 VanDerWaalsContact CA-O 3.25Å; S251-G670 WeakPolarHBondContact CA-O 3.47Å; S251-G670 WeakPolarHBondContact CB-O 3.44Å
252F93.4Very high93.7Very high1 Ų148.9 Ų48.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-141.8148.5171.572.8-88000112.6H256 C283 K284 W287 S668 S669 G670F252-H256 CarbonylContact C-O 3.52Å; F252-H256 VanDerWaalsContact CA-O 3.27Å; F252-H256 WeakPolarHBondContact CA-O 3.37Å; F252-H256 WeakPolarHBondContact CB-O 3.46Å; F252-C283 VanDerWaalsContact CB-SG 3.55Å; F252-K284 HydrophobicContact CD2-CB 4.45Å; F252-K284 HydrophobicContact CE1-CB 4.06Å; F252-K284 HydrophobicContact CE1-CG 3.87Å; F252-K284 HydrophobicContact CE2-CB 3.86Å; F252-K284 HydrophobicContact CE2-CD 4.39Å; F252-K284 HydrophobicContact CE2-CG 4.22Å; F252-K284 HydrophobicContact CZ-CB 3.65Å; F252-K284 HydrophobicContact CZ-CD 3.77Å; F252-K284 HydrophobicContact CZ-CG 3.52Å; F252-W287 HydrophobicContact CD1-CB 3.74Å; F252-W287 AromaticContact CD1-CD2 3.85Å; F252-W287 HydrophobicContact CD1-CD2 3.85Å; F252-W287 HydrophobicContact CD1-CE3 4.26Å; F252-W287 AromaticContact CD1-CG 3.59Å; F252-W287 HydrophobicContact CD1-CG 3.59Å; F252-W287 HydrophobicContact CE1-CB 4.36Å; F252-W287 AromaticContact CE1-CD2 3.9Å; F252-W287 HydrophobicContact CE1-CD2 3.9Å; F252-W287 AromaticContact CE1-CE3 3.85Å; F252-W287 HydrophobicContact CE1-CE3 3.85Å; F252-W287 HydrophobicContact CE1-CG 4.12Å; F252-S668 WeakPolarHBondContact CE2-O 3.42Å; F252-S669 WeakPolarHBondContact O-CA 3.43Å; F252-S669 WeakPolarHBondContact O-CB 3.38Å; F252-G670 VanDerWaalsContact CE1-CA 3.46Å; F252-G670 PolarHBondContact N-O 2.95Å
253K91.3Very high92.8Very high144 Ų14453.5 Ų53.563%0.62626%0.255SS*.EExtended strand (participates in β ladder)trans-138.7113.3-179-174.5-178.2178.7-173.60109.3K255 H256 L258K253-K255 PolarHBondContact O-N 2.86Å; K253-H256 PolarHBondContact N-O 2.82Å; K253-H256 WeakPolarHBondContact O-CB 3.33Å; K253-H256 PolarHBondContact O-N 3.3Å; K253-L258 HydrophobicContact CB-CD1 3.99Å
254R92.3Very high91.2Very high156 Ų15660.4 Ų60.459%0.58928%0.277SS*.THydrogen-bonded Turntrans52.7-122.8-169.6-58.8175.6176.8163.1-3.8109.4R280R254-R280 VanDerWaalsContact O-CA 3.29Å; R254-R280 WeakPolarHBondContact O-CA 3.48Å
255K94.3Very high89Confident97 Ų9767.9 Ų67.942%0.42232%0.323SS..THydrogen-bonded Turntrans-86.60177.870.9170.9-175.1165.50114.8K253 M277K253-K255 PolarHBondContact O-N 2.86Å; K255-M277 WeakPolarHBondContact CB-O 3.24Å; K255-M277 PolarHBondContact O-N 3.23Å
256H95.4Very high87.2Confident49 Ų4966.3 Ų66.323%0.22731%0.314CS..EExtended strand (participates in β ladder)trans-100.4123.8-170.6-56.2-116.3000109.2F252 K253 L258 E274 F275F252-H256 CarbonylContact C-O 3.52Å; F252-H256 VanDerWaalsContact CA-O 3.27Å; F252-H256 WeakPolarHBondContact CA-O 3.37Å; F252-H256 WeakPolarHBondContact CB-O 3.46Å; K253-H256 PolarHBondContact N-O 2.82Å; K253-H256 WeakPolarHBondContact O-CB 3.33Å; K253-H256 PolarHBondContact O-N 3.3Å; H256-L258 HydrophobicContact CB-CD1 4.48Å; H256-L258 WeakPolarHBondContact O-CD1 3.32Å; H256-E274 HydrophobicContact CB-CG 3.94Å; H256-E274 IonicContact CE1-OE1 2.63Å; H256-E274 IonicContact CG-OE1 2.72Å; H256-E274 IonicContact ND1-OE1 2.72Å; H256-E274 PolarHBondContact ND1-OE1 3.11Å; H256-F275 CarbonylContact C-O 3.52Å; H256-F275 WeakPolarHBondContact CA-O 2.98Å
257F97Very high85.3Confident0 Ų067.3 Ų67.30%034%0.341CS..EExtended strand (participates in β ladder)trans-90.1136.6171.6-176.3-115.1000108.3L222 L250 I259 E274 F275 M277 C283 F286 W287L222-F257 HydrophobicContact CD1-CD1 3.99Å; L250-F257 HydrophobicContact CD1-CZ 4.26Å; L250-F257 HydrophobicContact CD2-CE1 4.32Å; L250-F257 HydrophobicContact CD2-CZ 3.84Å; L250-F257 HydrophobicContact CG-CZ 4.45Å; F257-I259 HydrophobicContact CD1-CG1 4.09Å; F257-I259 HydrophobicContact CE1-CD1 3.95Å; F257-I259 HydrophobicContact CE1-CG1 3.6Å; F257-I259 HydrophobicContact CZ-CG1 4.4Å; F257-E274 CarbonylContact O-C 3.46Å; F257-E274 WeakPolarHBondContact O-CA 3.49Å; F257-F275 HydrophobicContact CB-CB 4.43Å; F257-F275 HydrophobicContact CD1-CD2 4.21Å; F257-F275 PolarHBondContact N-O 2.95Å; F257-F275 PolarHBondContact O-N 2.78Å; F257-M277 HydrophobicContact CB-SD 4.28Å; F257-C283 PolarHBondContact N-SG 2.96Å; F257-C283 VanDerWaalsContact N-SG 3.37Å; F257-F286 HydrophobicContact CD1-CD1 4.13Å; F257-F286 HydrophobicContact CD1-CE1 4.12Å; F257-F286 HydrophobicContact CD2-CD1 4.18Å; F257-F286 AromaticContact CE1-CD1 3.92Å; F257-F286 HydrophobicContact CE1-CD1 3.92Å; F257-F286 AromaticContact CE1-CE1 3.65Å; F257-F286 HydrophobicContact CE1-CE1 3.65Å; F257-F286 AromaticContact CE2-CD1 3.98Å; F257-F286 HydrophobicContact CE2-CD1 3.98Å; F257-F286 HydrophobicContact CE2-CE1 4.43Å; F257-F286 HydrophobicContact CG-CD1 4.25Å; F257-F286 AromaticContact CZ-CD1 3.84Å; F257-F286 HydrophobicContact CZ-CD1 3.84Å; F257-F286 AromaticContact CZ-CE1 3.82Å; F257-F286 HydrophobicContact CZ-CE1 3.82Å; F257-W287 HydrophobicContact CD2-CB 4.21Å; F257-W287 HydrophobicContact CE2-CB 3.92Å; F257-W287 HydrophobicContact CE2-CG 4.46Å
258L95.4Very high83.4Confident25 Ų2573 Ų7313%0.13138%0.381CS..EExtended strand (participates in β ladder)trans-127.5120.9-176.2-59.292.7000110.2S251 K253 H256 T272 L273 E274S251-L258 PolarHBondContact N-O 3.25Å; S251-L258 PolarHBondContact O-N 3.4Å; K253-L258 HydrophobicContact CB-CD1 3.99Å; H256-L258 HydrophobicContact CB-CD1 4.48Å; H256-L258 WeakPolarHBondContact O-CD1 3.32Å; L258-T272 HydrophobicContact CB-CG2 4.32Å; L258-T272 HydrophobicContact CD2-CG2 4.04Å; L258-L273 WeakPolarHBondContact CA-O 3.36Å; L258-E274 HydrophobicContact CG-CG 4.3Å
259I95.1Very high81.7Confident0 Ų072.3 Ų72.30%039%0.389CS..EExtended strand (participates in β ladder)trans-101.1117.3170.6-50.2-174.3000106.8V229 F242 I247 L250 F257 L261 T272 L273 F275V229-I259 HydrophobicContact CB-CD1 4.17Å; V229-I259 HydrophobicContact CG1-CD1 3.93Å; F242-I259 HydrophobicContact CD2-CD1 3.53Å; F242-I259 HydrophobicContact CE2-CD1 4.03Å; F242-I259 HydrophobicContact CG-CD1 4.21Å; I247-I259 HydrophobicContact CB-CG2 4.47Å; I247-I259 HydrophobicContact CD1-CG2 4.27Å; I247-I259 HydrophobicContact CG1-CG2 3.86Å; I247-I259 HydrophobicContact CG2-CG2 4Å; L250-I259 HydrophobicContact CD2-CB 4.08Å; L250-I259 HydrophobicContact CD2-CD1 4.47Å; L250-I259 HydrophobicContact CD2-CG1 3.77Å; L250-I259 HydrophobicContact CD2-CG2 3.9Å; F257-I259 HydrophobicContact CD1-CG1 4.09Å; F257-I259 HydrophobicContact CE1-CD1 3.95Å; F257-I259 HydrophobicContact CE1-CG1 3.6Å; F257-I259 HydrophobicContact CZ-CG1 4.4Å; I259-L261 HydrophobicContact CG2-CD2 4.04Å; I259-T272 WeakPolarHBondContact O-CA 3.33Å; I259-L273 HydrophobicContact CB-CB 4.4Å; I259-L273 PolarHBondContact N-O 3.44Å; I259-L273 PolarHBondContact O-N 3.35Å; I259-F275 HydrophobicContact CD1-CD2 4.37Å; I259-F275 HydrophobicContact CD1-CE2 3.79Å; I259-F275 HydrophobicContact CG1-CD2 4.4Å; I259-F275 HydrophobicContact CG1-CE2 4.11Å
260K93.5Very high80.5Confident90 Ų9077.1 Ų77.139%0.39141%0.41SS..EExtended strand (participates in β ladder)trans-91.4132.1160.7-59.1-160.4163.4-113.80109.1I247 R248 K249 D271 T272I247-K260 CarbonylContact C-O 3.54Å; R248-K260 HydrophobicContact CB-CB 4.49Å; R248-K260 PolarHBondContact N-O 2.95Å; K249-K260 HydrophobicContact CB-CB 3.78Å; K249-K260 HydrophobicContact CB-CD 4.38Å; K249-K260 HydrophobicContact CB-CG 4.08Å; K249-K260 HydrophobicContact CD-CD 4.28Å; K249-K260 PolarHBondContact N-O 3.17Å; K249-K260 VanDerWaalsContact N-O 3.14Å; K249-K260 PolarHBondContact O-N 3.2Å; K260-D271 CarbonylContact C-O 3.53Å; K260-D271 VanDerWaalsContact CA-O 3.25Å; K260-D271 WeakPolarHBondContact CA-O 3.4Å; K260-T272 VanDerWaalsContact CE-OG1 3.28Å; K260-T272 WeakPolarHBondContact CE-OG1 3.4Å; K260-T272 HydrophobicContact CG-CG2 4.02Å; K260-T272 WeakPolarHBondContact CG-OG1 3.29Å; K260-T272 PolarHBondContact NZ-OG1 3.24Å
261L92.1Very high80Confident29 Ų2979.8 Ų79.815%0.15242%0.424CS..EExtended strand (participates in β ladder)trans-84.9168.2169.5-56.2179.8000109.9F242 K246 I247 R248 I259 D271 L273F242-L261 HydrophobicContact CD1-CD2 4.11Å; K246-L261 CarbonylContact O-C 3.58Å; K246-L261 WeakPolarHBondContact O-CA 3.26Å; K246-L261 WeakPolarHBondContact O-CB 3.26Å; K246-L261 WeakPolarHBondContact O-CD2 3.35Å; I247-L261 HydrophobicContact CG1-CD2 4.49Å; R248-L261 VanDerWaalsContact CB-C 3.5Å; R248-L261 WeakPolarHBondContact CB-O 3.11Å; I259-L261 HydrophobicContact CG2-CD2 4.04Å; L261-D271 PolarHBondContact N-O 3.28Å; L261-L273 HydrophobicContact CD1-CD1 4.27Å; L261-L273 HydrophobicContact CG-CD1 4.46Å
262H88.5Confident79.9Confident38 Ų3880.9 Ų80.918%0.17643%0.43CS..PPolyproline II helixtrans-73.6138.6161.9-67.7-94.3000109.5K246 R248 R264 E676K246-H262 PolarHBondContact O-N 2.84Å; R248-H262 VanDerWaalsContact CA-NE2 3.32Å; R248-H262 WeakPolarHBondContact CA-NE2 3.27Å; R248-H262 PolarHBondContact N-CD2 3.4Å; R248-H262 PolarHBondContact N-NE2 2.78Å; R248-H262 PolarHBondContact NH1-ND1 3.36Å; H262-R264 PolarHBondContact O-N 2.87Å; H262-E676 IonicContact CE1-OE1 3.79Å; H262-E676 PolarHBondContact CE1-OE1 2.93Å; H262-E676 IonicContact CG-OE1 2.93Å; H262-E676 IonicContact ND1-OE1 3.15Å; H262-E676 PolarHBondContact ND1-OE1 3.19Å
263D75.8Confident79.8Confident116 Ų11683.1 Ų83.162%0.6244%0.442SS*.PPolyproline II helixtrans-56.7121.9-173.7-54.98000110.1
264R63.2Low80Confident175 Ų17580.3 Ų80.366%0.6643%0.431SS*.PPolyproline II helixtrans-83.7142.7172.7-71.5-173.3174.7-127.9-2.2109.7H262 G266H262-R264 PolarHBondContact O-N 2.87Å; R264-G266 PolarHBondContact O-N 2.92Å
265V50Low80.2Confident163 Ų16373.6 Ų73.699%0.98841%0.406SS*.SBendtrans-69.680.6175.6-173.20000109.9
266G54.5Low80.3Confident44 Ų4469.5 Ų69.545%0.45439%0.39SS..SBendtrans170.5113.1-177.900000112R264 S268R264-G266 PolarHBondContact O-N 2.92Å; G266-S268 PolarHBondContact O-N 3.31Å
267A52.7Low80.3Confident121 Ų12167.4 Ų67.4100%138%0.381SS*.THydrogen-bonded Turntrans-77.441.1-164.800000116
268S54.1Low80.1Confident120 Ų12071.7 Ų71.784%0.83942%0.416SS*.THydrogen-bonded Turntrans-138.2-2.5-173.861.50000116.3G266G266-S268 PolarHBondContact O-N 3.31Å
269C56Low80Confident75 Ų7572.6 Ų72.651%0.50743%0.425SS..SBendtrans-89152.5176.9-151.40000112.2D271C269-D271 PolarHBondContact O-N 2.87Å
270K67.1Low79.8Confident155 Ų15578.9 Ų78.967%0.67445%0.448SS*.  trans-84.794.9162-71.2176.6-175.5165.80107.8T272K270-T272 PolarHBondContact O-N 2.78Å
271D84.8Confident79.7Confident56 Ų5678.5 Ų78.530%0.29945%0.451SS..SBendtrans-65.3-6.1-179.2-45.8-70.7000113.7K260 L261 C269K260-D271 CarbonylContact C-O 3.53Å; K260-D271 VanDerWaalsContact CA-O 3.25Å; K260-D271 WeakPolarHBondContact CA-O 3.4Å; L261-D271 PolarHBondContact N-O 3.28Å; C269-D271 PolarHBondContact O-N 2.87Å
272T91.1Very high79.8Confident44 Ų4478.9 Ų78.927%0.2745%0.454SS..EExtended strand (participates in β ladder)trans-117.6113.1171.4-51.40000110.2L258 I259 K260 K270L258-T272 HydrophobicContact CB-CG2 4.32Å; L258-T272 HydrophobicContact CD2-CG2 4.04Å; I259-T272 WeakPolarHBondContact O-CA 3.33Å; K260-T272 VanDerWaalsContact CE-OG1 3.28Å; K260-T272 WeakPolarHBondContact CE-OG1 3.4Å; K260-T272 HydrophobicContact CG-CG2 4.02Å; K260-T272 WeakPolarHBondContact CG-OG1 3.29Å; K260-T272 PolarHBondContact NZ-OG1 3.24Å; K270-T272 PolarHBondContact O-N 2.78Å
273L92.4Very high80Confident48 Ų4877.1 Ų77.125%0.25145%0.446SS..EExtended strand (participates in β ladder)trans-89.8142171.6-59166.8000109.2F242 L258 I259 L261 F275F242-L273 HydrophobicContact CD1-CD1 4Å; F242-L273 HydrophobicContact CE1-CD1 3.33Å; F242-L273 HydrophobicContact CE2-CD1 3.98Å; F242-L273 HydrophobicContact CZ-CD1 3.32Å; L258-L273 WeakPolarHBondContact CA-O 3.36Å; I259-L273 HydrophobicContact CB-CB 4.4Å; I259-L273 PolarHBondContact N-O 3.44Å; I259-L273 PolarHBondContact O-N 3.35Å; L261-L273 HydrophobicContact CD1-CD1 4.27Å; L261-L273 HydrophobicContact CG-CD1 4.46Å; L273-F275 HydrophobicContact CB-CE2 3.97Å; L273-F275 HydrophobicContact CB-CZ 4.22Å
274E94.7Very high80.9Confident86 Ų8674.2 Ų74.240%0.40243%0.428SS..EExtended strand (participates in β ladder)trans-126.6131.9-179.1-172.217511900110.8D214 H256 F257 L258D214-E274 CarbonylContact C-O 3.58Å; H256-E274 HydrophobicContact CB-CG 3.94Å; H256-E274 IonicContact CE1-OE1 2.63Å; H256-E274 IonicContact CG-OE1 2.72Å; H256-E274 IonicContact ND1-OE1 2.72Å; H256-E274 PolarHBondContact ND1-OE1 3.11Å; F257-E274 CarbonylContact O-C 3.46Å; F257-E274 WeakPolarHBondContact O-CA 3.49Å; L258-E274 HydrophobicContact CG-CG 4.3Å
275F95.8Very high82.3Confident14 Ų1467.3 Ų67.36%0.06141%0.406CS..EExtended strand (participates in β ladder)trans-127.3118.4-180-58.7-72.7000110.6N213 I220 L222 V231 F242 H256 F257 I259 L273N213-F275 CarbonylContact O-C 3.59Å; N213-F275 VanDerWaalsContact O-CA 3.25Å; N213-F275 WeakPolarHBondContact O-CA 3.43Å; I220-F275 HydrophobicContact CD1-CD1 3.48Å; I220-F275 VanDerWaalsContact CD1-CD1 3.48Å; I220-F275 HydrophobicContact CD1-CE1 3.78Å; I220-F275 HydrophobicContact CD1-CG 4.5Å; L222-F275 HydrophobicContact CD1-CB 3.84Å; L222-F275 HydrophobicContact CD1-CD2 4.2Å; L222-F275 HydrophobicContact CD1-CG 4.03Å; L222-F275 HydrophobicContact CD2-CD1 4.2Å; L222-F275 HydrophobicContact CD2-CD2 4.34Å; L222-F275 HydrophobicContact CD2-CE1 4.38Å; L222-F275 HydrophobicContact CD2-CG 4.17Å; V231-F275 HydrophobicContact CG2-CZ 4.32Å; F242-F275 HydrophobicContact CE2-CE2 4.17Å; F242-F275 AromaticContact CE2-CZ 3.89Å; F242-F275 HydrophobicContact CE2-CZ 3.89Å; F242-F275 HydrophobicContact CZ-CZ 4.3Å; H256-F275 CarbonylContact C-O 3.52Å; H256-F275 WeakPolarHBondContact CA-O 2.98Å; F257-F275 HydrophobicContact CB-CB 4.43Å; F257-F275 HydrophobicContact CD1-CD2 4.21Å; F257-F275 PolarHBondContact N-O 2.95Å; F257-F275 PolarHBondContact O-N 2.78Å; I259-F275 HydrophobicContact CD1-CD2 4.37Å; I259-F275 HydrophobicContact CD1-CE2 3.79Å; I259-F275 HydrophobicContact CG1-CD2 4.4Å; I259-F275 HydrophobicContact CG1-CE2 4.11Å; L273-F275 HydrophobicContact CB-CE2 3.97Å; L273-F275 HydrophobicContact CB-CZ 4.22Å
276A96.4Very high84.5Confident11 Ų1159.5 Ų59.59%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-85119179.500000110.7A212 N213A212-A276 CarbonylContact C-O 3.6Å; A212-A276 VanDerWaalsContact CA-O 3.32Å; A212-A276 WeakPolarHBondContact CA-O 3.49Å; N213-A276 PolarHBondContact N-O 2.98Å; N213-A276 PolarHBondContact O-N 2.94Å
277M95.2Very high86.5Confident5 Ų557.6 Ų57.63%0.02534%0.338CS..EExtended strand (participates in β ladder)trans-102.4171178.1-51.2-169.484.300111.3H210 A212 L222 K255 F257 S279 V282 C283 F286H210-M277 HydrophobicContact CB-CE 3.7Å; A212-M277 HydrophobicContact CB-CG 4.1Å; L222-M277 HydrophobicContact CD1-CE 4.43Å; K255-M277 WeakPolarHBondContact CB-O 3.24Å; K255-M277 PolarHBondContact O-N 3.23Å; F257-M277 HydrophobicContact CB-SD 4.28Å; M277-S279 VanDerWaalsContact C-N 3.3Å; M277-S279 PolarHBondContact O-N 3.11Å; M277-V282 HydrophobicContact CB-CG1 4.33Å; M277-V282 HydrophobicContact CE-CG1 4.24Å; M277-C283 HydrophobicContact CB-CB 4.19Å; M277-C283 HydrophobicContact CG-CB 4.35Å; M277-C283 HydrophobicContact SD-CB 4.05Å; M277-F286 HydrophobicContact CE-CB 3.91Å; M277-F286 HydrophobicContact CE-CD1 4.42Å; M277-F286 HydrophobicContact CE-CD2 4.25Å; M277-F286 HydrophobicContact CE-CG 3.93Å; M277-F286 HydrophobicContact SD-CB 3.89Å; M277-F286 HydrophobicContact SD-CD1 4.37Å; M277-F286 HydrophobicContact SD-CG 4.21Å
278A93.3Very high88.5Confident90 Ų9053.2 Ų53.274%0.74430%0.296SS*.SBendtrans-57.6-35.6-175.600000114.6
279S92.8Very high90.5Very high45 Ų4548.1 Ų48.132%0.31526%0.259SS..  trans-153.7168.7178.384.60000113M277 D281 V282 C283M277-S279 VanDerWaalsContact C-N 3.3Å; M277-S279 PolarHBondContact O-N 3.11Å; S279-D281 PolarHBondContact O-N 3.35Å; S279-D281 PolarHBondContact OG-N 2.63Å; S279-V282 PolarHBondContact OG-N 2.9Å; S279-V282 VanDerWaalsContact OG-N 3.15Å; S279-C283 VanDerWaalsContact O-CB 3.25Å; S279-C283 WeakPolarHBondContact O-CB 3.49Å; S279-C283 PolarHBondContact O-N 3.16Å
280R92.8Very high92.5Very high131 Ų13144.5 Ų44.549%0.49424%0.235SC..Hα-helixtrans-55.3-40.2171.6-178.2-161.269.1-156.4-7112.2R254 C283 K284R254-R280 VanDerWaalsContact O-CA 3.29Å; R254-R280 WeakPolarHBondContact O-CA 3.48Å; R280-C283 PolarHBondContact O-N 2.85Å; R280-K284 VanDerWaalsContact O-CB 3.28Å; R280-K284 WeakPolarHBondContact O-CB 3.44Å; R280-K284 PolarHBondContact O-N 3.01Å
281D90.9Very high93.9Very high82 Ų8237.7 Ų37.744%0.43921%0.206SC..Hα-helixtrans-85.5-29.8-170.5-61-39.5000111.9S279 S285S279-D281 PolarHBondContact O-N 3.35Å; S279-D281 PolarHBondContact OG-N 2.63Å; D281-S285 WeakPolarHBondContact O-CB 3.22Å; D281-S285 PolarHBondContact O-N 3.35Å
282V92.9Very high94.4Very high38 Ų3835.8 Ų35.823%0.2320%0.196CC..Hα-helixtrans-60.3-49.3162.8171.50000110.2M277 S279 K284 S285 F286M277-V282 HydrophobicContact CB-CG1 4.33Å; M277-V282 HydrophobicContact CE-CG1 4.24Å; S279-V282 PolarHBondContact OG-N 2.9Å; S279-V282 VanDerWaalsContact OG-N 3.15Å; V282-K284 PolarHBondContact O-N 2.87Å; V282-S285 WeakPolarHBondContact O-CB 3.29Å; V282-S285 PolarHBondContact O-N 3.1Å; V282-S285 VanDerWaalsContact O-N 3.08Å; V282-F286 PolarHBondContact O-N 3.23Å
283C94.5Very high94.7Very high0 Ų034.4 Ų34.40%019%0.186CC..Hα-helixtrans-62.3-41.9179.7-172.40000112.9F252 F257 M277 S279 R280 S285 F286 W287F252-C283 VanDerWaalsContact CB-SG 3.55Å; F257-C283 PolarHBondContact N-SG 2.96Å; F257-C283 VanDerWaalsContact N-SG 3.37Å; M277-C283 HydrophobicContact CB-CB 4.19Å; M277-C283 HydrophobicContact CG-CB 4.35Å; M277-C283 HydrophobicContact SD-CB 4.05Å; S279-C283 VanDerWaalsContact O-CB 3.25Å; S279-C283 WeakPolarHBondContact O-CB 3.49Å; S279-C283 PolarHBondContact O-N 3.16Å; R280-C283 PolarHBondContact O-N 2.85Å; C283-S285 VanDerWaalsContact C-N 3.32Å; C283-S285 PolarHBondContact O-N 3.09Å; C283-F286 PolarHBondContact O-N 3.31Å; C283-W287 WeakPolarHBondContact O-CB 3.26Å; C283-W287 PolarHBondContact O-N 2.9Å
284K93.6Very high95Very high56 Ų5633.3 Ų33.324%0.24318%0.179CC..Hα-helixtrans-63.6-36.4172.1-178.1172.5-176.9176.40112.2F252 R280 V282 K288F252-K284 HydrophobicContact CD2-CB 4.45Å; F252-K284 HydrophobicContact CE1-CB 4.06Å; F252-K284 HydrophobicContact CE1-CG 3.87Å; F252-K284 HydrophobicContact CE2-CB 3.86Å; F252-K284 HydrophobicContact CE2-CD 4.39Å; F252-K284 HydrophobicContact CE2-CG 4.22Å; F252-K284 HydrophobicContact CZ-CB 3.65Å; F252-K284 HydrophobicContact CZ-CD 3.77Å; F252-K284 HydrophobicContact CZ-CG 3.52Å; R280-K284 VanDerWaalsContact O-CB 3.28Å; R280-K284 WeakPolarHBondContact O-CB 3.44Å; R280-K284 PolarHBondContact O-N 3.01Å; V282-K284 PolarHBondContact O-N 2.87Å; K284-K288 WeakPolarHBondContact O-CG 3.26Å; K284-K288 PolarHBondContact O-N 2.91Å
285S93.5Very high95Very high29 Ų2929.3 Ų29.320%0.20316%0.161CC..Hα-helixtrans-66.3-47.3175.7-1590000111.1D281 V282 C283 W287 K288 M289D281-S285 WeakPolarHBondContact O-CB 3.22Å; D281-S285 PolarHBondContact O-N 3.35Å; V282-S285 WeakPolarHBondContact O-CB 3.29Å; V282-S285 PolarHBondContact O-N 3.1Å; V282-S285 VanDerWaalsContact O-N 3.08Å; C283-S285 VanDerWaalsContact C-N 3.32Å; C283-S285 PolarHBondContact O-N 3.09Å; S285-W287 PolarHBondContact O-N 2.72Å; S285-K288 WeakPolarHBondContact O-CB 3.36Å; S285-K288 PolarHBondContact O-N 3.02Å; S285-M289 WeakPolarHBondContact O-CG 3.4Å; S285-M289 PolarHBondContact O-N 2.94Å
286F96Very high95.1Very high0 Ų028.7 Ų28.70%016%0.158CC..Hα-helixtrans-59.4-47.3176.1-168.6-100.6000111.8H210 L222 V229 F257 M277 V282 C283 K288 M289 C290H210-F286 HydrophobicContact CB-CD2 3.92Å; H210-F286 HydrophobicContact CB-CE2 4.24Å; H210-F286 AromaticContact CD2-CD2 3.66Å; H210-F286 AromaticContact CD2-CE2 3.92Å; H210-F286 AromaticContact CG-CD2 3.74Å; L222-F286 HydrophobicContact CB-CE1 3.91Å; L222-F286 HydrophobicContact CB-CE2 3.87Å; L222-F286 HydrophobicContact CB-CZ 3.44Å; L222-F286 VanDerWaalsContact CB-CZ 3.44Å; L222-F286 HydrophobicContact CD1-CD1 4.35Å; L222-F286 HydrophobicContact CD1-CE1 3.92Å; L222-F286 HydrophobicContact CD1-CZ 4.34Å; V229-F286 HydrophobicContact CG1-CE1 4.19Å; V229-F286 HydrophobicContact CG1-CZ 4.16Å; F257-F286 HydrophobicContact CD1-CD1 4.13Å; F257-F286 HydrophobicContact CD1-CE1 4.12Å; F257-F286 HydrophobicContact CD2-CD1 4.18Å; F257-F286 AromaticContact CE1-CD1 3.92Å; F257-F286 HydrophobicContact CE1-CD1 3.92Å; F257-F286 AromaticContact CE1-CE1 3.65Å; F257-F286 HydrophobicContact CE1-CE1 3.65Å; F257-F286 AromaticContact CE2-CD1 3.98Å; F257-F286 HydrophobicContact CE2-CD1 3.98Å; F257-F286 HydrophobicContact CE2-CE1 4.43Å; F257-F286 HydrophobicContact CG-CD1 4.25Å; F257-F286 AromaticContact CZ-CD1 3.84Å; F257-F286 HydrophobicContact CZ-CD1 3.84Å; F257-F286 AromaticContact CZ-CE1 3.82Å; F257-F286 HydrophobicContact CZ-CE1 3.82Å; M277-F286 HydrophobicContact CE-CB 3.91Å; M277-F286 HydrophobicContact CE-CD1 4.42Å; M277-F286 HydrophobicContact CE-CD2 4.25Å; M277-F286 HydrophobicContact CE-CG 3.93Å; M277-F286 HydrophobicContact SD-CB 3.89Å; M277-F286 HydrophobicContact SD-CD1 4.37Å; M277-F286 HydrophobicContact SD-CG 4.21Å; V282-F286 PolarHBondContact O-N 3.23Å; C283-F286 PolarHBondContact O-N 3.31Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.07Å; F286-M289 HydrophobicContact CD2-CE 3.99Å; F286-M289 HydrophobicContact CE2-CE 4.31Å; F286-M289 PolarHBondContact O-N 3.47Å; F286-C290 PolarHBondContact O-N 3.24Å; F286-C290 PolarHBondContact O-SG 3.41Å; F286-C290 VanDerWaalsContact O-SG 3.35Å
287W96.4Very high95.1Very high4 Ų429.3 Ų29.32%0.01516%0.159CC..Hα-helixtrans-57-39.5175174.186.2000113.2L250 F252 F257 C283 S285 C290 V291 F318 L672L250-W287 PolarHBondContact O-NE1 3.18Å; F252-W287 HydrophobicContact CD1-CB 3.74Å; F252-W287 AromaticContact CD1-CD2 3.85Å; F252-W287 HydrophobicContact CD1-CD2 3.85Å; F252-W287 HydrophobicContact CD1-CE3 4.26Å; F252-W287 AromaticContact CD1-CG 3.59Å; F252-W287 HydrophobicContact CD1-CG 3.59Å; F252-W287 HydrophobicContact CE1-CB 4.36Å; F252-W287 AromaticContact CE1-CD2 3.9Å; F252-W287 HydrophobicContact CE1-CD2 3.9Å; F252-W287 AromaticContact CE1-CE3 3.85Å; F252-W287 HydrophobicContact CE1-CE3 3.85Å; F252-W287 HydrophobicContact CE1-CG 4.12Å; F257-W287 HydrophobicContact CD2-CB 4.21Å; F257-W287 HydrophobicContact CE2-CB 3.92Å; F257-W287 HydrophobicContact CE2-CG 4.46Å; C283-W287 WeakPolarHBondContact O-CB 3.26Å; C283-W287 PolarHBondContact O-N 2.9Å; S285-W287 PolarHBondContact O-N 2.72Å; W287-C290 PolarHBondContact O-N 2.72Å; W287-V291 HydrophobicContact CD2-CG2 4.17Å; W287-V291 HydrophobicContact CE3-CG2 4.38Å; W287-V291 HydrophobicContact CH2-CG2 3.89Å; W287-V291 HydrophobicContact CZ2-CG2 3.66Å; W287-V291 HydrophobicContact CZ3-CG2 4.24Å; W287-V291 WeakPolarHBondContact O-CG2 3.2Å; W287-V291 PolarHBondContact O-N 3Å; W287-V291 VanDerWaalsContact O-N 3.1Å; W287-F318 HydrophobicContact CZ3-CB 4.18Å; W287-F318 HydrophobicContact CZ3-CD1 4.26Å; W287-L672 HydrophobicContact CZ2-CB 4.44Å
288K95.2Very high95.1Very high28 Ų2831.8 Ų31.812%0.12217%0.17CC..Hα-helixtrans-61.7-46.9173-73.8172.3171.21750111.5E76 K284 S285 F286 C290 V291 E292 F318E76-K288 IonicContact OE1-NZ 2.6Å; E76-K288 PolarHBondContact OE1-NZ 3.13Å; E76-K288 IonicContact OE2-NZ 3.52Å; E76-K288 PolarHBondContact OE2-NZ 3.28Å; K284-K288 WeakPolarHBondContact O-CG 3.26Å; K284-K288 PolarHBondContact O-N 2.91Å; S285-K288 WeakPolarHBondContact O-CB 3.36Å; S285-K288 PolarHBondContact O-N 3.02Å; F286-K288 VanDerWaalsContact C-N 3.31Å; F286-K288 PolarHBondContact O-N 3.07Å; K288-C290 PolarHBondContact O-N 3.19Å; K288-V291 WeakPolarHBondContact O-CA 3.43Å; K288-V291 WeakPolarHBondContact O-CB 3.49Å; K288-V291 PolarHBondContact O-N 3.41Å; K288-E292 WeakPolarHBondContact O-CG 3.45Å; K288-E292 PolarHBondContact O-N 3.27Å; K288-F318 HydrophobicContact CB-CD1 4.06Å; K288-F318 HydrophobicContact CB-CE1 3.64Å; K288-F318 HydrophobicContact CB-CE2 4.43Å; K288-F318 HydrophobicContact CB-CZ 3.85Å; K288-F318 HydrophobicContact CD-CD2 4.03Å; K288-F318 HydrophobicContact CD-CE1 4.45Å; K288-F318 HydrophobicContact CD-CE2 3.88Å; K288-F318 HydrophobicContact CD-CG 4.38Å; K288-F318 HydrophobicContact CD-CZ 4.1Å; K288-F318 HydrophobicContact CG-CD1 3.71Å; K288-F318 HydrophobicContact CG-CD2 3.99Å; K288-F318 HydrophobicContact CG-CE1 3.75Å; K288-F318 HydrophobicContact CG-CE2 4.03Å; K288-F318 HydrophobicContact CG-CG 3.83Å; K288-F318 HydrophobicContact CG-CZ 3.91Å
289M96.1Very high95.1Very high13 Ų1329.7 Ų29.76%0.06415%0.146CC..Hα-helixtrans-59.5-39.1-179.3-59.6-163.3-38.200110.8H210 V224 S285 F286 V291 E292 Y293H210-M289 WeakPolarHBondContact NE2-CE 3.24Å; V224-M289 HydrophobicContact CG1-CB 4.11Å; V224-M289 HydrophobicContact CG1-CE 4.05Å; S285-M289 WeakPolarHBondContact O-CG 3.4Å; S285-M289 PolarHBondContact O-N 2.94Å; F286-M289 HydrophobicContact CD2-CE 3.99Å; F286-M289 HydrophobicContact CE2-CE 4.31Å; F286-M289 PolarHBondContact O-N 3.47Å; M289-V291 PolarHBondContact O-N 3.15Å; M289-E292 PolarHBondContact O-N 2.89Å; M289-Y293 WeakPolarHBondContact O-CB 3.5Å; M289-Y293 WeakPolarHBondContact O-CD2 3.42Å; M289-Y293 PolarHBondContact O-N 2.86Å
290C97.5Very high95Very high0 Ų029.4 Ų29.40%015%0.146CC..Hα-helixtrans-64.2-38173.7-54.70000113.4W244 L250 F286 W287 K288 H294W244-C290 HydrophobicContact CH2-CB 4.24Å; L250-C290 HydrophobicContact CD1-CB 3.37Å; F286-C290 PolarHBondContact O-N 3.24Å; F286-C290 PolarHBondContact O-SG 3.41Å; F286-C290 VanDerWaalsContact O-SG 3.35Å; W287-C290 PolarHBondContact O-N 2.72Å; K288-C290 PolarHBondContact O-N 3.19Å; C290-H294 VanDerWaalsContact O-CB 3.29Å; C290-H294 WeakPolarHBondContact O-CB 3.26Å; C290-H294 PolarHBondContact O-N 3.03Å
291V95.6Very high94.9Very high11 Ų1128 Ų287%0.06715%0.145CC..Hα-helixtrans-61.9-42.9172172.20000111.2W287 K288 M289 A295 F318 L672W287-V291 HydrophobicContact CD2-CG2 4.17Å; W287-V291 HydrophobicContact CE3-CG2 4.38Å; W287-V291 HydrophobicContact CH2-CG2 3.89Å; W287-V291 HydrophobicContact CZ2-CG2 3.66Å; W287-V291 HydrophobicContact CZ3-CG2 4.24Å; W287-V291 WeakPolarHBondContact O-CG2 3.2Å; W287-V291 PolarHBondContact O-N 3Å; W287-V291 VanDerWaalsContact O-N 3.1Å; K288-V291 WeakPolarHBondContact O-CA 3.43Å; K288-V291 WeakPolarHBondContact O-CB 3.49Å; K288-V291 PolarHBondContact O-N 3.41Å; M289-V291 PolarHBondContact O-N 3.15Å; V291-A295 WeakPolarHBondContact O-CB 3.23Å; V291-A295 PolarHBondContact O-N 3.34Å; V291-F318 HydrophobicContact CB-CD1 4.46Å; V291-F318 HydrophobicContact CB-CE1 4.32Å; V291-F318 HydrophobicContact CG1-CD1 4.21Å; V291-F318 HydrophobicContact CG1-CE1 4.21Å; V291-L672 HydrophobicContact CB-CD2 4.47Å; V291-L672 HydrophobicContact CG2-CB 4.05Å; V291-L672 HydrophobicContact CG2-CD1 4.34Å; V291-L672 HydrophobicContact CG2-CD2 3.92Å; V291-L672 HydrophobicContact CG2-CG 4.34Å
292E96.5Very high94.9Very high16 Ų1626.6 Ų26.68%0.07514%0.136CC..Hα-helixtrans-70.3-44.9-179.9-66-176.4118.500112.5K98 F99 K288 M289 A295 F296 F318 Y320K98-E292 VanDerWaalsContact CE-OE2 3.31Å; K98-E292 WeakPolarHBondContact CE-OE2 3.35Å; K98-E292 IonicContact NZ-OE1 3.31Å; K98-E292 PolarHBondContact NZ-OE1 3Å; K98-E292 IonicContact NZ-OE2 2.78Å; K98-E292 PolarHBondContact NZ-OE2 2.97Å; F99-E292 HydrophobicContact CE1-CB 4.08Å; F99-E292 HydrophobicContact CZ-CB 4.01Å; K288-E292 WeakPolarHBondContact O-CG 3.45Å; K288-E292 PolarHBondContact O-N 3.27Å; M289-E292 PolarHBondContact O-N 2.89Å; E292-A295 PolarHBondContact O-N 3.46Å; E292-F296 WeakPolarHBondContact O-CB 3.25Å; E292-F296 PolarHBondContact O-N 3.01Å; E292-F318 HydrophobicContact CG-CE1 3.75Å; E292-F318 HydrophobicContact CG-CZ 3.66Å; E292-Y320 HydrophobicContact CB-CD2 4.05Å; E292-Y320 HydrophobicContact CG-CD2 4.17Å
293Y97.6Very high94.6Very high16 Ų1626.5 Ų26.56%0.06314%0.136CC..Hα-helixtrans-63.5-46.4177.8-96.4-103.9000111.6K98 F99 V224 T225 M289 F296 F297K98-Y293 WeakPolarHBondContact O-CE2 3.29Å; K98-Y293 VanDerWaalsContact O-CZ 3.31Å; K98-Y293 PolarHBondContact O-OH 3.07Å; F99-Y293 HydrophobicContact CD1-CD1 4.12Å; F99-Y293 AromaticContact CD1-CD2 3.6Å; F99-Y293 HydrophobicContact CD1-CD2 3.6Å; F99-Y293 HydrophobicContact CD1-CE1 4.11Å; F99-Y293 AromaticContact CD1-CE2 3.55Å; F99-Y293 HydrophobicContact CD1-CE2 3.55Å; F99-Y293 AromaticContact CD1-CG 3.89Å; F99-Y293 HydrophobicContact CD1-CG 3.89Å; F99-Y293 AromaticContact CD1-CZ 3.83Å; F99-Y293 AromaticContact CE1-CD2 3.57Å; F99-Y293 HydrophobicContact CE1-CD2 3.57Å; F99-Y293 AromaticContact CE1-CE2 3.86Å; F99-Y293 HydrophobicContact CE1-CE2 3.86Å; F99-Y293 HydrophobicContact CE1-CG 4.05Å; V224-Y293 HydrophobicContact CB-CG 4.49Å; V224-Y293 HydrophobicContact CG1-CD1 4.41Å; V224-Y293 HydrophobicContact CG1-CD2 3.75Å; V224-Y293 HydrophobicContact CG1-CE2 3.98Å; V224-Y293 HydrophobicContact CG1-CG 3.99Å; V224-Y293 HydrophobicContact CG2-CD1 4.06Å; V224-Y293 HydrophobicContact CG2-CD2 4.36Å; V224-Y293 HydrophobicContact CG2-CG 3.77Å; T225-Y293 WeakPolarHBondContact O-CD1 3.37Å; M289-Y293 WeakPolarHBondContact O-CB 3.5Å; M289-Y293 WeakPolarHBondContact O-CD2 3.42Å; M289-Y293 PolarHBondContact O-N 2.86Å; Y293-F296 PolarHBondContact O-N 2.99Å; Y293-F297 AromaticContact CD1-CD2 3.85Å; Y293-F297 HydrophobicContact CD1-CD2 3.85Å; Y293-F297 AromaticContact CD1-CE2 3.65Å; Y293-F297 HydrophobicContact CD1-CE2 3.65Å; Y293-F297 HydrophobicContact CE1-CD2 4.47Å; Y293-F297 AromaticContact CE1-CE2 3.82Å; Y293-F297 HydrophobicContact CE1-CE2 3.82Å; Y293-F297 WeakPolarHBondContact O-CB 3.29Å; Y293-F297 WeakPolarHBondContact O-CD2 3.39Å; Y293-F297 PolarHBondContact O-N 3.2Å
294H96.9Very high94.1Very high24 Ų2433.6 Ų33.611%0.11117%0.167CC..Hα-helixtrans-59.5-49.3174.5-176.2-77.9000111.3W244 C290 F296 F297 K298 L674W244-H294 HydrophobicContact CD2-CB 4.42Å; W244-H294 AromaticContact CD2-CD2 3.76Å; W244-H294 HydrophobicContact CE3-CB 4.2Å; W244-H294 AromaticContact CE3-CD2 3.69Å; W244-H294 AromaticContact CG-CD2 3.92Å; W244-H294 HydrophobicContact CH2-CB 4.29Å; W244-H294 HydrophobicContact CZ3-CB 4.13Å; C290-H294 VanDerWaalsContact O-CB 3.29Å; C290-H294 WeakPolarHBondContact O-CB 3.26Å; C290-H294 PolarHBondContact O-N 3.03Å; H294-F296 VanDerWaalsContact C-N 3.34Å; H294-F296 PolarHBondContact O-N 3.05Å; H294-F297 PolarHBondContact O-N 3.06Å; H294-K298 WeakPolarHBondContact O-CB 3.39Å; H294-K298 PolarHBondContact O-N 3.27Å; H294-L674 VanDerWaalsContact CD2-CD1 3.44Å; H294-L674 WeakPolarHBondContact CD2-CD1 3.46Å; H294-L674 WeakPolarHBondContact NE2-CD2 3.35Å
295A96.3Very high93.4Very high3 Ų334.7 Ų34.73%0.02518%0.18CC..Hα-helixtrans-64.3-36.9-177.600000113.2V291 E292 L299 P303 Y320 T324V291-A295 WeakPolarHBondContact O-CB 3.23Å; V291-A295 PolarHBondContact O-N 3.34Å; E292-A295 PolarHBondContact O-N 3.46Å; A295-L299 HydrophobicContact CB-CD1 3.94Å; A295-P303 HydrophobicContact CB-CG 4.05Å; A295-Y320 HydrophobicContact CB-CD1 3.82Å; A295-Y320 HydrophobicContact CB-CG 3.65Å; A295-T324 WeakPolarHBondContact O-CG2 3.44Å
296F97.3Very high92.3Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-72.3-45.4177.5-179.6-112.8000112.5E59 Y60 F99 E292 Y293 H294 Y320 Q325E59-F296 HydrophobicContact CB-CE2 3.8Å; E59-F296 HydrophobicContact CB-CZ 4.44Å; Y60-F296 AromaticContact CD1-CE1 3.78Å; Y60-F296 HydrophobicContact CD1-CE1 3.78Å; Y60-F296 AromaticContact CD1-CZ 3.72Å; Y60-F296 HydrophobicContact CD1-CZ 3.72Å; Y60-F296 AromaticContact CE1-CE1 3.73Å; Y60-F296 HydrophobicContact CE1-CE1 3.73Å; Y60-F296 AromaticContact CE1-CZ 3.61Å; Y60-F296 HydrophobicContact CE1-CZ 3.61Å; Y60-F296 HydrophobicContact CG-CZ 4.43Å; F99-F296 HydrophobicContact CB-CD1 3.76Å; F99-F296 HydrophobicContact CB-CE1 3.75Å; F99-F296 HydrophobicContact CD1-CB 4.37Å; F99-F296 HydrophobicContact CD1-CD1 4.01Å; F99-F296 HydrophobicContact CD1-CG 4.44Å; F99-F296 AromaticContact CD2-CD1 3.92Å; F99-F296 HydrophobicContact CD2-CD1 3.92Å; F99-F296 HydrophobicContact CD2-CE1 4.21Å; F99-F296 HydrophobicContact CD2-CG 4.16Å; F99-F296 HydrophobicContact CE1-CB 4.14Å; F99-F296 HydrophobicContact CE2-CB 4.44Å; F99-F296 HydrophobicContact CE2-CD1 4.49Å; F99-F296 HydrophobicContact CE2-CG 4.3Å; F99-F296 AromaticContact CG-CD1 3.64Å; F99-F296 HydrophobicContact CG-CD1 3.64Å; F99-F296 HydrophobicContact CG-CE1 4.05Å; F99-F296 HydrophobicContact CG-CG 4.22Å; F99-F296 HydrophobicContact CZ-CB 4.17Å; F99-F296 HydrophobicContact CZ-CG 4.5Å; E292-F296 WeakPolarHBondContact O-CB 3.25Å; E292-F296 PolarHBondContact O-N 3.01Å; Y293-F296 PolarHBondContact O-N 2.99Å; H294-F296 VanDerWaalsContact C-N 3.34Å; H294-F296 PolarHBondContact O-N 3.05Å; F296-Y320 HydrophobicContact CB-CE2 4.24Å; F296-Y320 WeakPolarHBondContact CD2-OH 3.43Å; F296-Q325 HydrophobicContact CD1-CB 4.46Å; F296-Q325 HydrophobicContact CD2-CB 4.45Å; F296-Q325 HydrophobicContact CE1-CB 4.05Å; F296-Q325 HydrophobicContact CE1-CG 4.29Å; F296-Q325 HydrophobicContact CE2-CB 4.04Å; F296-Q325 HydrophobicContact CZ-CB 3.83Å; F296-Q325 HydrophobicContact CZ-CG 4.03Å; F296-Q325 WeakPolarHBondContact O-CB 3.45Å; F296-Q325 PolarHBondContact O-N 2.55Å
297F96.5Very high90.5Very high24 Ų2448.2 Ų48.211%0.10524%0.242CC..Hα-helixtrans-90.2-21.8-172.1-75.3-68.4000115.5F99 F100 H226 Y293 H294 Q325F99-F297 HydrophobicContact CB-CE2 3.81Å; F99-F297 HydrophobicContact CB-CZ 3.81Å; F99-F297 HydrophobicContact CD1-CE2 4.03Å; F99-F297 HydrophobicContact CG-CE2 4.31Å; F100-F297 WeakPolarHBondContact O-CZ 3.41Å; H226-F297 HydrophobicContact CB-CB 4.43Å; H226-F297 HydrophobicContact CB-CD1 3.59Å; H226-F297 HydrophobicContact CB-CD2 3.83Å; H226-F297 HydrophobicContact CB-CE1 3.65Å; H226-F297 HydrophobicContact CB-CE2 3.85Å; H226-F297 HydrophobicContact CB-CG 3.7Å; H226-F297 HydrophobicContact CB-CZ 3.77Å; Y293-F297 AromaticContact CD1-CD2 3.85Å; Y293-F297 HydrophobicContact CD1-CD2 3.85Å; Y293-F297 AromaticContact CD1-CE2 3.65Å; Y293-F297 HydrophobicContact CD1-CE2 3.65Å; Y293-F297 HydrophobicContact CE1-CD2 4.47Å; Y293-F297 AromaticContact CE1-CE2 3.82Å; Y293-F297 HydrophobicContact CE1-CE2 3.82Å; Y293-F297 WeakPolarHBondContact O-CB 3.29Å; Y293-F297 WeakPolarHBondContact O-CD2 3.39Å; Y293-F297 PolarHBondContact O-N 3.2Å; H294-F297 PolarHBondContact O-N 3.06Å; F297-Q325 VanDerWaalsContact CD1-OE1 3.24Å
298K95.3Very high88.6Confident58 Ų5854.5 Ų54.525%0.25227%0.27SS..Hα-helixtrans-122.7-21.3-172.6-75.5-55.2-155.8169.80116.5W244 H294 E679W244-K298 HydrophobicContact CB-CG 4.31Å; W244-K298 HydrophobicContact CG-CG 4.21Å; H294-K298 WeakPolarHBondContact O-CB 3.39Å; H294-K298 PolarHBondContact O-N 3.27Å; K298-E679 WeakPolarHBondContact CD-OE1 3.45Å; K298-E679 VanDerWaalsContact CE-OE1 3.26Å; K298-E679 WeakPolarHBondContact CE-OE1 3.33Å; K298-E679 IonicContact NZ-OE1 3.33Å; K298-E679 PolarHBondContact NZ-OE1 3.28Å; K298-E679 IonicContact NZ-OE2 3.21Å; K298-E679 PolarHBondContact NZ-OE2 3.26Å
299L92.6Very high86.5Confident45 Ų4559.2 Ų59.224%0.23630%0.301CS..  trans-86.4143.6178.2-62179.1000112A295 P303 T324A295-L299 HydrophobicContact CB-CD1 3.94Å; L299-P303 HydrophobicContact CD1-CG 3.66Å; L299-T324 HydrophobicContact CB-CG2 4.38Å; L299-T324 WeakPolarHBondContact O-CB 3.47Å; L299-T324 VanDerWaalsContact O-CG2 3.3Å; L299-T324 WeakPolarHBondContact O-CG2 3.28Å; L299-T324 PolarHBondContact O-OG1 2.9Å
300A91.1Very high84.5Confident40 Ų4066.2 Ų66.233%0.33134%0.338SS..SBendtrans-67.7-34.7174.900000112.9T324 K326 Q327A300-T324 PolarHBondContact O-OG1 2.77Å; A300-T324 VanDerWaalsContact O-OG1 3.06Å; A300-K326 HydrophobicContact CB-CD 4.17Å; A300-Q327 WeakPolarHBondContact O-CG 3.42Å
301E91.2Very high82.4Confident101 Ų10174.4 Ų74.447%0.47238%0.381SS..SBendtrans-134.9162.4-176.6-63.6-173.416500113.7K304 T324E301-K304 IonicContact OE1-NZ 2.71Å; E301-K304 VanDerWaalsContact OE2-CE 3.32Å; E301-K304 WeakPolarHBondContact OE2-CE 3.37Å; E301-K304 IonicContact OE2-NZ 2.68Å; E301-K304 PolarHBondContact OE2-NZ 3.41Å; E301-T324 WeakPolarHBondContact O-CG2 3.49Å
302E89.9Confident80.1Confident53 Ų5378.2 Ų78.225%0.24841%0.408CS..  trans-55.7128.4170.4-175.4-178.9141.200111.3K304 R319 S321 G322E302-K304 PolarHBondContact O-N 3.13Å; E302-R319 IonicContact OE1-CZ 3.43Å; E302-R319 IonicContact OE1-NH1 3.56Å; E302-R319 PolarHBondContact OE1-NH1 3.09Å; E302-R319 IonicContact OE1-NH2 2.95Å; E302-R319 PolarHBondContact OE1-NH2 2.77Å; E302-R319 VanDerWaalsContact OE1-NH2 3.16Å; E302-S321 VanDerWaalsContact CD-CA 3.48Å; E302-S321 VanDerWaalsContact CD-OG 3.3Å; E302-S321 WeakPolarHBondContact OE1-CB 3.38Å; E302-S321 PolarHBondContact OE1-OG 3.02Å; E302-S321 PolarHBondContact OE2-OG 3.19Å; E302-G322 PolarHBondContact OE2-N 3.41Å
303P87.3Confident77.8Confident36 Ų3681.4 Ų81.423%0.23443%0.431CS..  trans-57.8103.1178.8-28.436.3000113.9A295 L299 R319A295-P303 HydrophobicContact CB-CG 4.05Å; L299-P303 HydrophobicContact CD1-CG 3.66Å; P303-R319 WeakPolarHBondContact O-CD 3.49Å; P303-R319 PolarHBondContact O-NH1 3.25Å
304K83.1Confident75.7Confident148 Ų14889.5 Ų89.564%0.64347%0.467SS*.  trans-57.3143.4-177.9-72.8158.1179.2158.60112.4E301 E302 I306E301-K304 IonicContact OE1-NZ 2.71Å; E301-K304 VanDerWaalsContact OE2-CE 3.32Å; E301-K304 WeakPolarHBondContact OE2-CE 3.37Å; E301-K304 IonicContact OE2-NZ 2.68Å; E301-K304 PolarHBondContact OE2-NZ 3.41Å; E302-K304 PolarHBondContact O-N 3.13Å; K304-I306 PolarHBondContact O-N 3.36Å; K304-I306 VanDerWaalsContact O-N 3.16Å
305P79.4Confident74.1Confident80 Ų8090.2 Ų90.252%0.51948%0.48SS..  trans-71.1110.3-173.427.9-34.6000112.2H307P305-H307 PolarHBondContact O-CD2 3.34Å; P305-H307 VanDerWaalsContact O-CD2 3.29Å; P305-H307 PolarHBondContact O-N 3.14Å; P305-H307 VanDerWaalsContact O-N 3.15Å
306I71.2Confident72.9Confident129 Ų12991.4 Ų91.466%0.66249%0.489SS*.  trans-67.7113.5-179-50.5175000111.3K304 K308K304-I306 PolarHBondContact O-N 3.36Å; K304-I306 VanDerWaalsContact O-N 3.16Å; I306-K308 HydrophobicContact CB-CG 4.37Å; I306-K308 HydrophobicContact CG2-CD 4.41Å; I306-K308 HydrophobicContact CG2-CG 3.68Å; I306-K308 PolarHBondContact O-N 3.27Å
307H58.5Low72Confident183 Ų183102.7 Ų102.785%0.84753%0.531SS*.  trans-72.789.3170.9-75.3-109.8000110.6P305P305-H307 PolarHBondContact O-CD2 3.34Å; P305-H307 VanDerWaalsContact O-CD2 3.29Å; P305-H307 PolarHBondContact O-N 3.14Å; P305-H307 VanDerWaalsContact O-N 3.15Å
308K55.6Low71.6Confident137 Ų137103.2 Ų103.260%0.59653%0.534SS*.  trans-88.9132177.7-62.8-164.3177.5-169.40112.2I306I306-K308 HydrophobicContact CB-CG 4.37Å; I306-K308 HydrophobicContact CG2-CD 4.41Å; I306-K308 HydrophobicContact CG2-CG 3.68Å; I306-K308 PolarHBondContact O-N 3.27Å
309T50.4Low71.4Confident126 Ų126103.3 Ų103.377%0.77353%0.532SS*.  trans-58.4146.4174.2-23.20000111.5L311 S312T309-L311 PolarHBondContact O-N 3.14Å; T309-S312 PolarHBondContact O-N 2.78Å
310L54.6Low71.5Confident161 Ų161101.6 Ų101.684%0.84352%0.523SS*.G310 helixtrans-51.2-26.1-162.9-76.6160.9000116.6
311L52.7Low71.5Confident172 Ų172100.9 Ų100.990%0.90152%0.515SS*.G310 helixtrans-81.4-17.6-172.3-62.3173.7000115.1T309T309-L311 PolarHBondContact O-N 3.14Å
312S48.2Very low71.6Confident90 Ų9097.1 Ų97.163%0.62950%0.504SS*.G310 helixtrans-106.521.1-170.1-148.70000115T309 K314T309-S312 PolarHBondContact O-N 2.78Å; S312-K314 PolarHBondContact O-N 3.15Å
313C48.6Very low71.8Confident84 Ų8497.8 Ų97.857%0.56850%0.504SS*.  trans-77.829-172.9-63.20000115.8G315C313-G315 PolarHBondContact O-N 3.15Å
314K53.2Low72.2Confident186 Ų18696 Ų9681%0.80949%0.493SS*.  trans-95.377.8179.2-74.1173.4-175.6158.80111.8S312S312-K314 PolarHBondContact O-N 3.15Å
315G63.3Low72.8Confident38 Ų3889.9 Ų89.939%0.39247%0.466SS..SBendtrans-179.9175.5171.800000113.8C313 R317 S669C313-G315 PolarHBondContact O-N 3.15Å; G315-R317 PolarHBondContact O-N 3.34Å; G315-S669 VanDerWaalsContact CA-O 3.31Å; G315-S669 WeakPolarHBondContact CA-O 3.25Å
316S71.9Confident73.4Confident29 Ų2991.4 Ų91.420%0.20347%0.465CS..  trans-68.9119.1170.1-164.20000110.3F318 S669S316-F318 PolarHBondContact O-N 3.07Å; S316-S669 PolarHBondContact N-O 2.87Å
317R78.1Confident74.5Confident236 Ų23687.5 Ų87.589%0.89144%0.443SS*.  trans-80.515.4172.9-70.3-17663.8-177.5-0.4113.7G315G315-R317 PolarHBondContact O-N 3.34Å
318F88.3Confident76.2Confident36 Ų3678.8 Ų78.816%0.15840%0.403CS..  trans-73.4136.2-179.8-179.7-89.4000110.4E76 W287 K288 V291 E292 S316E76-F318 HydrophobicContact CG-CE2 4.29Å; W287-F318 HydrophobicContact CZ3-CB 4.18Å; W287-F318 HydrophobicContact CZ3-CD1 4.26Å; K288-F318 HydrophobicContact CB-CD1 4.06Å; K288-F318 HydrophobicContact CB-CE1 3.64Å; K288-F318 HydrophobicContact CB-CE2 4.43Å; K288-F318 HydrophobicContact CB-CZ 3.85Å; K288-F318 HydrophobicContact CD-CD2 4.03Å; K288-F318 HydrophobicContact CD-CE1 4.45Å; K288-F318 HydrophobicContact CD-CE2 3.88Å; K288-F318 HydrophobicContact CD-CG 4.38Å; K288-F318 HydrophobicContact CD-CZ 4.1Å; K288-F318 HydrophobicContact CG-CD1 3.71Å; K288-F318 HydrophobicContact CG-CD2 3.99Å; K288-F318 HydrophobicContact CG-CE1 3.75Å; K288-F318 HydrophobicContact CG-CE2 4.03Å; K288-F318 HydrophobicContact CG-CG 3.83Å; K288-F318 HydrophobicContact CG-CZ 3.91Å; V291-F318 HydrophobicContact CB-CD1 4.46Å; V291-F318 HydrophobicContact CB-CE1 4.32Å; V291-F318 HydrophobicContact CG1-CD1 4.21Å; V291-F318 HydrophobicContact CG1-CE1 4.21Å; E292-F318 HydrophobicContact CG-CE1 3.75Å; E292-F318 HydrophobicContact CG-CZ 3.66Å; S316-F318 PolarHBondContact O-N 3.07Å
319R91Very high77.9Confident60 Ų6075 Ų7523%0.22639%0.389CS..  trans-140.6158.517462.3175-169106.216.4108.5L78 E302 P303L78-R319 HydrophobicContact CD1-CG 3.65Å; E302-R319 IonicContact OE1-CZ 3.43Å; E302-R319 IonicContact OE1-NH1 3.56Å; E302-R319 PolarHBondContact OE1-NH1 3.09Å; E302-R319 IonicContact OE1-NH2 2.95Å; E302-R319 PolarHBondContact OE1-NH2 2.77Å; E302-R319 VanDerWaalsContact OE1-NH2 3.16Å; P303-R319 WeakPolarHBondContact O-CD 3.49Å; P303-R319 PolarHBondContact O-NH1 3.25Å
320Y93.4Very high79.8Confident9 Ų974 Ų744%0.03538%0.375CS..  trans-63.7156.9164.2-178.9-107.7000111F99 E292 A295 F296 G322 R323F99-Y320 HydrophobicContact CE2-CE2 4.2Å; F99-Y320 AromaticContact CZ-CE2 3.94Å; F99-Y320 HydrophobicContact CZ-CE2 3.94Å; E292-Y320 HydrophobicContact CB-CD2 4.05Å; E292-Y320 HydrophobicContact CG-CD2 4.17Å; A295-Y320 HydrophobicContact CB-CD1 3.82Å; A295-Y320 HydrophobicContact CB-CG 3.65Å; F296-Y320 HydrophobicContact CB-CE2 4.24Å; F296-Y320 WeakPolarHBondContact CD2-OH 3.43Å; Y320-G322 VanDerWaalsContact CE1-O 3.23Å; Y320-G322 WeakPolarHBondContact CE1-O 3.27Å; Y320-R323 PolarHBondContact OH-O 3.39Å
321S92.4Very high81.2Confident25 Ų2569.7 Ų69.718%0.17536%0.358CS..  trans-157.7142.7172.6-166.50000109.8E302E302-S321 VanDerWaalsContact CD-CA 3.48Å; E302-S321 VanDerWaalsContact CD-OG 3.3Å; E302-S321 WeakPolarHBondContact OE1-CB 3.38Å; E302-S321 PolarHBondContact OE1-OG 3.02Å; E302-S321 PolarHBondContact OE2-OG 3.19Å
322G91.6Very high82.5Confident22 Ų2263 Ų6323%0.22732%0.323CS..SBendtrans114.7165.3-157.300000111.3E302 Y320E302-G322 PolarHBondContact OE2-N 3.41Å; Y320-G322 VanDerWaalsContact CE1-O 3.23Å; Y320-G322 WeakPolarHBondContact CE1-O 3.27Å
323R94.6Very high83.3Confident66 Ų6661.7 Ų61.725%0.24932%0.324CS..  trans-67138.8176.3-66.5175.7-68.7172.12.6110.5L56 E59 Y320 Q327L56-R323 PolarHBondContact O-NH2 3.16Å; E59-R323 VanDerWaalsContact CD-NH2 3.25Å; E59-R323 HydrophobicContact CG-CB 4.17Å; E59-R323 IonicContact OE1-CZ 3.71Å; E59-R323 IonicContact OE1-NE 2.68Å; E59-R323 PolarHBondContact OE1-NE 3.3Å; E59-R323 IonicContact OE1-NH2 3.34Å; E59-R323 PolarHBondContact OE1-NH2 3.18Å; E59-R323 IonicContact OE2-CZ 2.83Å; E59-R323 IonicContact OE2-NE 3.16Å; E59-R323 IonicContact OE2-NH2 2.7Å; E59-R323 PolarHBondContact OE2-NH2 3.01Å; Y320-R323 PolarHBondContact OH-O 3.39Å; R323-Q327 HydrophobicContact CB-CB 4.02Å; R323-Q327 HydrophobicContact CG-CB 4.44Å
324T96.2Very high83.7Confident0 Ų062.6 Ų62.60%033%0.331CS..  trans-66.9165.8167.667.30000110.4A295 L299 A300 E301 K326 Q327 L328A295-T324 WeakPolarHBondContact O-CG2 3.44Å; L299-T324 HydrophobicContact CB-CG2 4.38Å; L299-T324 WeakPolarHBondContact O-CB 3.47Å; L299-T324 VanDerWaalsContact O-CG2 3.3Å; L299-T324 WeakPolarHBondContact O-CG2 3.28Å; L299-T324 PolarHBondContact O-OG1 2.9Å; A300-T324 PolarHBondContact O-OG1 2.77Å; A300-T324 VanDerWaalsContact O-OG1 3.06Å; E301-T324 WeakPolarHBondContact O-CG2 3.49Å; T324-K326 PolarHBondContact O-N 3.27Å; T324-Q327 VanDerWaalsContact N-OE1 3.15Å; T324-Q327 PolarHBondContact O-N 3.37Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.39Å; T324-Q327 PolarHBondContact OG1-N 2.9Å; T324-L328 WeakPolarHBondContact O-CB 3.24Å; T324-L328 PolarHBondContact O-N 2.98Å
325Q94.9Very high83.7Confident19 Ų1955.9 Ų55.99%0.08932%0.315CS..Hα-helixtrans-61.9-36.2177.2-162.9-175.619.200111.3Y60 F296 F297 L328 L329Y60-Q325 PolarHBondContact OH-NE2 3.27Å; F296-Q325 HydrophobicContact CD1-CB 4.46Å; F296-Q325 HydrophobicContact CD2-CB 4.45Å; F296-Q325 HydrophobicContact CE1-CB 4.05Å; F296-Q325 HydrophobicContact CE1-CG 4.29Å; F296-Q325 HydrophobicContact CE2-CB 4.04Å; F296-Q325 HydrophobicContact CZ-CB 3.83Å; F296-Q325 HydrophobicContact CZ-CG 4.03Å; F296-Q325 WeakPolarHBondContact O-CB 3.45Å; F296-Q325 PolarHBondContact O-N 2.55Å; F297-Q325 VanDerWaalsContact CD1-OE1 3.24Å; Q325-L328 PolarHBondContact O-N 2.92Å; Q325-L329 HydrophobicContact CG-CD1 4.23Å; Q325-L329 WeakPolarHBondContact O-CG 3.4Å; Q325-L329 PolarHBondContact O-N 2.84Å
326K93.4Very high82.7Confident112 Ų11263.5 Ų63.549%0.48734%0.34SS..Hα-helixtrans-58.3-54.6173.7-175.1171.9-178.4173.50111.2A300 T324 L328 L329 E330A300-K326 HydrophobicContact CB-CD 4.17Å; T324-K326 PolarHBondContact O-N 3.27Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 3.14Å; K326-L329 PolarHBondContact O-N 3.38Å; K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 HydrophobicContact CG-CG 4.45Å; K326-E330 WeakPolarHBondContact CG-OE1 3.48Å; K326-E330 WeakPolarHBondContact O-CB 3.49Å; K326-E330 WeakPolarHBondContact O-CG 3.39Å; K326-E330 PolarHBondContact O-N 3.17Å
327Q94.3Very high81.6Confident46 Ų4670.6 Ų70.622%0.21537%0.367CS..Hα-helixtrans-59-38.3176.5-70.6178-3900112.8A300 R323 T324 C331A300-Q327 WeakPolarHBondContact O-CG 3.42Å; R323-Q327 HydrophobicContact CB-CB 4.02Å; R323-Q327 HydrophobicContact CG-CB 4.44Å; T324-Q327 VanDerWaalsContact N-OE1 3.15Å; T324-Q327 PolarHBondContact O-N 3.37Å; T324-Q327 WeakPolarHBondContact OG1-CG 3.39Å; T324-Q327 PolarHBondContact OG1-N 2.9Å; Q327-C331 VanDerWaalsContact O-CB 3.27Å; Q327-C331 WeakPolarHBondContact O-CB 3.27Å; Q327-C331 PolarHBondContact O-N 3.32Å; Q327-C331 PolarHBondContact O-SG 2.89Å
328L93.2Very high79.8Confident0 Ų069.5 Ų69.50%037%0.369CS..Hα-helixtrans-62.7-45.5177.3178.161.9000111.4E57 Y60 T324 Q325 K326 M332E57-L328 HydrophobicContact CG-CD1 4.36Å; Y60-L328 HydrophobicContact CD2-CD2 4.1Å; Y60-L328 HydrophobicContact CE2-CD2 3.51Å; T324-L328 WeakPolarHBondContact O-CB 3.24Å; T324-L328 PolarHBondContact O-N 2.98Å; Q325-L328 PolarHBondContact O-N 2.92Å; K326-L328 VanDerWaalsContact C-N 3.29Å; K326-L328 PolarHBondContact O-N 3.14Å; L328-M332 HydrophobicContact CD1-SD 3.71Å; L328-M332 HydrophobicContact CG-SD 4.17Å; L328-M332 WeakPolarHBondContact O-CG 3.27Å; L328-M332 PolarHBondContact O-N 3.31Å
329L91Very high77.9Confident58 Ų5871.8 Ų71.830%0.30439%0.387SS..Hα-helixtrans-68.3-42.4178.1-67.9170.2000111.7Q325 K326 M332 G333Q325-L329 HydrophobicContact CG-CD1 4.23Å; Q325-L329 WeakPolarHBondContact O-CG 3.4Å; Q325-L329 PolarHBondContact O-N 2.84Å; K326-L329 PolarHBondContact O-N 3.38Å; L329-M332 CarbonylContact O-C 3.51Å; L329-M332 PolarHBondContact O-N 3.01Å; L329-G333 PolarHBondContact O-N 3.39Å
330E90.4Very high75.7Confident104 Ų10473 Ų7349%0.48641%0.405SS..Hα-helixtrans-62.3-43.1176.6-72168.2169.300112.5K326 M332 S334K326-E330 WeakPolarHBondContact CE-OE1 3.26Å; K326-E330 HydrophobicContact CG-CG 4.45Å; K326-E330 WeakPolarHBondContact CG-OE1 3.48Å; K326-E330 WeakPolarHBondContact O-CB 3.49Å; K326-E330 WeakPolarHBondContact O-CG 3.39Å; K326-E330 PolarHBondContact O-N 3.17Å; E330-M332 PolarHBondContact O-N 3.45Å; E330-M332 VanDerWaalsContact O-N 3.08Å; E330-S334 WeakPolarHBondContact O-CB 3.15Å; E330-S334 PolarHBondContact O-N 2.85Å; E330-S334 PolarHBondContact O-OG 3.45Å
331C85.3Confident73.3Confident72 Ų7281.1 Ų81.149%0.48644%0.436SS..Hα-helixtrans-62.3-12.2173-720000113.8Q327Q327-C331 VanDerWaalsContact O-CB 3.27Å; Q327-C331 WeakPolarHBondContact O-CB 3.27Å; Q327-C331 PolarHBondContact O-N 3.32Å; Q327-C331 PolarHBondContact O-SG 2.89Å
332M79.1Confident71.6Confident32 Ų3281.8 Ų81.816%0.15844%0.435CS..Hα-helixtrans-115.5-26.7-173.9-68.5179.65800113.1E57 K108 R109 L328 L329 E330E57-M332 HydrophobicContact CG-CE 3.68Å; E57-M332 HydrophobicContact CG-SD 3.67Å; K108-M332 HydrophobicContact CB-CE 3.61Å; K108-M332 HydrophobicContact CG-CE 3.95Å; R109-M332 HydrophobicContact CG-CE 4.15Å; L328-M332 HydrophobicContact CD1-SD 3.71Å; L328-M332 HydrophobicContact CG-SD 4.17Å; L328-M332 WeakPolarHBondContact O-CG 3.27Å; L328-M332 PolarHBondContact O-N 3.31Å; L329-M332 CarbonylContact O-C 3.51Å; L329-M332 PolarHBondContact O-N 3.01Å; E330-M332 PolarHBondContact O-N 3.45Å; E330-M332 VanDerWaalsContact O-N 3.08Å
333G64.3Low69.6Low62 Ų6286.8 Ų86.864%0.63945%0.453SS*.Hα-helixtrans-75.1-29.2168.700000113.6L329 G335L329-G333 PolarHBondContact O-N 3.39Å; G333-G335 PolarHBondContact O-N 2.87Å
334S58.2Low67.5Low102 Ų10285.2 Ų85.271%0.71345%0.447SS*.THydrogen-bonded Turntrans-74.3-2179490000114.8E330E330-S334 WeakPolarHBondContact O-CB 3.15Å; E330-S334 PolarHBondContact O-N 2.85Å; E330-S334 PolarHBondContact O-OG 3.45Å
335G52.6Low65.1Low46 Ų4691.3 Ų91.347%0.47448%0.477SS..  trans-12366.6-17100000114.3G333 K337G333-G335 PolarHBondContact O-N 2.87Å; G335-K337 PolarHBondContact O-N 3.43Å
336E43.1Very low62.6Low197 Ų19792.3 Ų92.392%0.92149%0.486SS*.  trans-69.867.8172.4-71.4-152.6119.200113.1
337K47.7Very low60.1Low179 Ų17993.8 Ų93.878%0.77849%0.489SS*.SBendtrans-115116.2155.1-69.7-174.7-179.3179.10107.5G335 P339G335-K337 PolarHBondContact O-N 3.43Å; K337-P339 WeakPolarHBondContact O-CD 3.23Å; K337-P339 VanDerWaalsContact O-N 3.09Å
338K41.5Very low57.4Low212 Ų21297.8 Ų97.892%0.92252%0.516SS*.  trans-43.8112.5-174.1-149.9174.7-168.6176.60110.1S340K338-S340 PolarHBondContact O-N 2.88Å
339P47.7Very low55Low85 Ų85105 Ų10555%0.55255%0.55SS*.PPolyproline II helixtrans-58136.1-176-2835.9000111.5K337 R341K337-P339 WeakPolarHBondContact O-CD 3.23Å; K337-P339 VanDerWaalsContact O-N 3.09Å; P339-R341 PolarHBondContact O-N 3.31Å
340S45.4Very low52.2Low85 Ų85105.5 Ų105.559%0.59457%0.569SS**PPolyproline II helixtrans-54.3123.5168.155.70000109.1K338 F342 Q373K338-S340 PolarHBondContact O-N 2.88Å; S340-F342 PolarHBondContact O-N 2.92Å; S340-F342 VanDerWaalsContact O-N 3.14Å; S340-Q373 PolarHBondContact OG-NE2 2.7Å
341R43.1Very low49.8Very low180 Ų180110.2 Ų110.268%0.67959%0.59SS**PPolyproline II helixtrans-59.3117.4175.9-177.5176.8174.4126.62108.2P339 E343P339-R341 PolarHBondContact O-N 3.31Å; R341-E343 IonicContact CZ-OE1 3.37Å; R341-E343 IonicContact NE-OE1 3.6Å; R341-E343 PolarHBondContact NE-OE1 3.18Å; R341-E343 IonicContact NE-OE2 2.71Å; R341-E343 IonicContact NH2-OE1 3.08Å; R341-E343 PolarHBondContact NH2-OE1 3.19Å; R341-E343 PolarHBondContact O-N 3.45Å
342F55.5Low47.3Very low38 Ų38112.2 Ų112.217%0.16761%0.605CS.*  trans-74.5106.3167.4173.5-100.6000107L111 Y114 S340 R344 V369L111-F342 HydrophobicContact CB-CD2 4.25Å; L111-F342 HydrophobicContact CB-CE2 4.4Å; L111-F342 HydrophobicContact CB-CG 4.47Å; L111-F342 HydrophobicContact CD1-CE2 4.11Å; L111-F342 HydrophobicContact CD1-CZ 4.21Å; Y114-F342 AromaticContact CD1-CE1 3.92Å; Y114-F342 HydrophobicContact CD1-CE1 3.92Å; Y114-F342 AromaticContact CD1-CZ 3.74Å; Y114-F342 HydrophobicContact CD1-CZ 3.74Å; Y114-F342 HydrophobicContact CE1-CZ 4.3Å; Y114-F342 HydrophobicContact CG-CE1 4.08Å; Y114-F342 HydrophobicContact CG-CZ 4.36Å; S340-F342 PolarHBondContact O-N 2.92Å; S340-F342 VanDerWaalsContact O-N 3.14Å; F342-R344 HydrophobicContact CE1-CB 4.17Å; F342-V369 HydrophobicContact CE2-CG1 3.99Å; F342-V369 HydrophobicContact CE2-CG2 3.84Å; F342-V369 HydrophobicContact CZ-CG2 4.49Å
343E51.1Low45.1Very low127 Ų127118.8 Ų118.859%0.59364%0.641SS**  trans-93.2114.6177.8-154.5100.5-102.400108.1R341 M345R341-E343 IonicContact CZ-OE1 3.37Å; R341-E343 IonicContact NE-OE1 3.6Å; R341-E343 PolarHBondContact NE-OE1 3.18Å; R341-E343 IonicContact NE-OE2 2.71Å; R341-E343 IonicContact NH2-OE1 3.08Å; R341-E343 PolarHBondContact NH2-OE1 3.19Å; R341-E343 PolarHBondContact O-N 3.45Å; E343-M345 PolarHBondContact O-N 3.26Å
344R50.2Low43.5Very low34 Ų34124.6 Ų124.613%0.12865%0.645CS.*  trans-81.2103.3176.9175.4171.1163.1179.9-7.8108.5Y114 S146 P188 D192 F342 S346Y114-R344 VanDerWaalsContact CD2-NH1 3.3Å; Y114-R344 VanDerWaalsContact CE2-NH1 3.32Å; S146-R344 PolarHBondContact O-NE 3.43Å; S146-R344 PolarHBondContact O-NH2 2.98Å; S146-R344 PolarHBondContact OG-NH1 2.71Å; S146-R344 VanDerWaalsContact OG-NH1 3.12Å; S146-R344 PolarHBondContact OG-NH2 2.99Å; P188-R344 HydrophobicContact CB-CB 4.33Å; P188-R344 HydrophobicContact CB-CG 4.28Å; D192-R344 IonicContact OD1-CZ 3.11Å; D192-R344 IonicContact OD1-NH1 3.95Å; D192-R344 PolarHBondContact OD1-NH1 3.08Å; D192-R344 IonicContact OD2-CZ 2.72Å; D192-R344 IonicContact OD2-NH1 2.77Å; D192-R344 PolarHBondContact OD2-NH1 3.21Å; F342-R344 HydrophobicContact CE1-CB 4.17Å; R344-S346 PolarHBondContact O-N 3.15Å
345M45.7Very low42.1Very low128 Ų128124.7 Ų124.763%0.63164%0.637SS**  trans-57.5106.4179-151.192.277.100110.4E343E343-M345 PolarHBondContact O-N 3.26Å
346S42.1Very low41.2Very low40 Ų40127.2 Ų127.228%0.2865%0.646SS.*  trans-84147.2176.1-169.50000110.9R344 T348R344-S346 PolarHBondContact O-N 3.15Å; S346-T348 PolarHBondContact O-N 2.93Å
347R41.3Very low40.6Very low143 Ų143127.8 Ų127.854%0.5464%0.64SS.*  trans-91.566.5-175.2-72-175165.1-120-18.1112.6H349 P363R347-H349 PolarHBondContact O-N 3Å; R347-H349 PolarHBondContact O-ND1 3.23Å; R347-P363 VanDerWaalsContact NH2-CG 3.35Å
348T37.8Very low39.7Very low129 Ų129127.1 Ų127.179%0.79164%0.639SS**  trans-66.2100163.336.40000109.7S346 G350S346-T348 PolarHBondContact O-N 2.93Å; T348-G350 PolarHBondContact O-N 2.81Å; T348-G350 VanDerWaalsContact O-N 3.11Å
349H42.7Very low39.1Very low153 Ų153122.9 Ų122.971%0.70864%0.635SS**  trans-74.6101.2-179-75.376.3000110.9R347R347-H349 PolarHBondContact O-N 3Å; R347-H349 PolarHBondContact O-ND1 3.23Å
350G31.2Very low38.3Very low68 Ų68130.6 Ų130.670%0.70165%0.653SS**  trans-66.3147.2157.200000110.7T348 S352T348-G350 PolarHBondContact O-N 2.81Å; T348-G350 VanDerWaalsContact O-N 3.11Å; G350-S352 PolarHBondContact O-N 3.49Å
351Q39.6Very low37.5Very low202 Ų202131 Ų13194%0.94466%0.656SS**SBendtrans-60.9125.5-172.4-64.9176.9-39.900114
352S32.6Very low37Very low114 Ų114126.7 Ų126.780%0.79765%0.653SS**  trans-166.1164141.549.20000110.6G350G350-S352 PolarHBondContact O-N 3.49Å
353D33.8Very low36.2Very low171 Ų171127.9 Ų127.991%0.91467%0.665SS**  trans-43.6145-162-73-56.7000119.4
354Y31.1Very low36Very low184 Ų184124.2 Ų124.272%0.72265%0.649SS**  trans-97.1114.1175.3-118.9-93.9000111.4
355D28.8Very low36.3Very low103 Ų103125.4 Ų125.455%0.55166%0.658SS**  trans-103.2110.9160.3-179.29.9000109.9R357D355-R357 PolarHBondContact O-N 3.28Å; D355-R357 IonicContact OD1-NH1 2.72Å
356P32.5Very low36.9Very low100 Ų100119.4 Ų119.465%0.64963%0.628SS**THydrogen-bonded Turntrans-76.533.4-171.933-38.1000114.5
357R31.3Very low37.5Very low209 Ų209119 Ų11979%0.78962%0.624SS**THydrogen-bonded Turntrans-115.43.2-175-70.4-162.2176.689-3.1116.9D355D355-R357 PolarHBondContact O-N 3.28Å; D355-R357 IonicContact OD1-NH1 2.72Å
358Q29.2Very low37.8Very low165 Ų165117.3 Ų117.377%0.77162%0.622SS**  trans-117.930.4179.8-61.5-16122.400115.6R360Q358-R360 PolarHBondContact O-N 3.28Å
359C29.6Very low38.3Very low123 Ų123112.7 Ų112.783%0.83159%0.594SS**  trans-73.754.3176.3-59.10000114
360R30Very low38.3Very low247 Ų247106.3 Ų106.393%0.93257%0.566SS**SBendtrans-146.834.5173.7-97-153.3179.6-83.7-5.7116.1Q358Q358-R360 PolarHBondContact O-N 3.28Å
361S28.6Very low38.7Very low93 Ų93108.9 Ų108.965%0.6556%0.558SS**  trans-159.2119.4158.752.20000111.9P363S361-P363 VanDerWaalsContact O-CD 3.29Å; S361-P363 WeakPolarHBondContact O-CD 3.33Å
362S33.5Very low38.6Very low90 Ų90105.9 Ų105.963%0.62954%0.544SS*.  trans-62.1122.5152.6-59.90000107.3
363P37.1Very low38.9Very low62 Ų62104.9 Ų104.940%0.40353%0.527SS..  trans-67146.2-179.6-27.841.2000112R347 S361 L365R347-P363 VanDerWaalsContact NH2-CG 3.35Å; S361-P363 VanDerWaalsContact O-CD 3.29Å; S361-P363 WeakPolarHBondContact O-CD 3.33Å; P363-L365 PolarHBondContact O-N 3.17Å
364D48.5Very low38.7Very low50 Ų50102.5 Ų102.527%0.26751%0.514SS..  trans-76.876.9-160.8-166.7-27.6000112.4L366 T367 E368D364-L366 VanDerWaalsContact C-N 3.26Å; D364-L366 PolarHBondContact O-N 3.37Å; D364-T367 PolarHBondContact O-N 3.47Å; D364-T367 VanDerWaalsContact O-N 3.08Å; D364-T367 WeakPolarHBondContact OD1-CB 3.39Å; D364-T367 PolarHBondContact OD1-N 3.25Å; D364-T367 PolarHBondContact OD1-OG1 2.89Å; D364-T367 WeakPolarHBondContact OD2-CB 3.46Å; D364-T367 PolarHBondContact OD2-OG1 3.32Å; D364-E368 WeakPolarHBondContact O-CG 3.32Å; D364-E368 PolarHBondContact O-N 3.44Å
365L55.7Low39Very low59 Ų59102 Ų10231%0.30952%0.522SS..Hα-helixtrans-57-39-176.2-67.6177.3000112P363 E368 V369P363-L365 PolarHBondContact O-N 3.17Å; L365-E368 PolarHBondContact O-N 2.92Å; L365-V369 WeakPolarHBondContact O-CB 3.36Å; L365-V369 VanDerWaalsContact O-CG2 3.24Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.44Å
366L58.6Low39.1Very low3 Ų3100.5 Ų100.52%0.01653%0.531CS..Hα-helixtrans-68.9-32.2178.2-64.5176000112.4F26 D28 L53 L111 Y114 L115 D364 S370F26-L366 HydrophobicContact CB-CD1 3.92Å; F26-L366 HydrophobicContact CG-CD1 4.29Å; D28-L366 HydrophobicContact CB-CD1 4.46Å; D28-L366 WeakPolarHBondContact OD1-CD1 3.37Å; D28-L366 WeakPolarHBondContact OD2-CG 3.28Å; L53-L366 HydrophobicContact CD2-CB 3.85Å; L53-L366 HydrophobicContact CD2-CD1 3.9Å; L53-L366 HydrophobicContact CD2-CD2 4.4Å; L53-L366 HydrophobicContact CD2-CG 4.26Å; L111-L366 HydrophobicContact CD1-CD2 3.92Å; Y114-L366 HydrophobicContact CE1-CD2 4.28Å; L115-L366 HydrophobicContact CD2-CD1 4.17Å; L115-L366 HydrophobicContact CD2-CD2 4.25Å; D364-L366 VanDerWaalsContact C-N 3.26Å; D364-L366 PolarHBondContact O-N 3.37Å; L366-S370 PolarHBondContact O-N 3.03Å; L366-S370 PolarHBondContact O-OG 2.73Å
367T53.7Low38.9Very low31 Ų31100.7 Ų100.719%0.1954%0.541CS..Hα-helixtrans-78.3-25.4172.5-63.60000113.6H52 D364 S370 K371H52-T367 PolarHBondContact CE1-OG1 3.23Å; D364-T367 PolarHBondContact O-N 3.47Å; D364-T367 VanDerWaalsContact O-N 3.08Å; D364-T367 WeakPolarHBondContact OD1-CB 3.39Å; D364-T367 PolarHBondContact OD1-N 3.25Å; D364-T367 PolarHBondContact OD1-OG1 2.89Å; D364-T367 WeakPolarHBondContact OD2-CB 3.46Å; D364-T367 PolarHBondContact OD2-OG1 3.32Å; T367-S370 WeakPolarHBondContact O-CB 3.39Å; T367-K371 WeakPolarHBondContact O-CG 3.45Å
368E47.4Very low38.9Very low108 Ų10895.8 Ų95.851%0.50554%0.537SS..Hα-helixtrans-73.8-46.3172.2-61.8-101.79300110.8D364 L365 S370 K371 E372D364-E368 WeakPolarHBondContact O-CG 3.32Å; D364-E368 PolarHBondContact O-N 3.44Å; L365-E368 PolarHBondContact O-N 2.92Å; E368-S370 PolarHBondContact O-N 3.31Å; E368-S370 VanDerWaalsContact O-N 3.15Å; E368-K371 WeakPolarHBondContact O-CB 3.32Å; E368-K371 PolarHBondContact O-N 2.8Å; E368-K371 IonicContact OE1-NZ 2.69Å; E368-K371 PolarHBondContact OE1-NZ 3.04Å; E368-E372 PolarHBondContact O-N 3.4Å
369V48.4Very low39Very low31 Ų3197.4 Ų97.419%0.18854%0.542CS..Hα-helixtrans-54.8-32.4171.4167.30000112F342 L365 K371F342-V369 HydrophobicContact CE2-CG1 3.99Å; F342-V369 HydrophobicContact CE2-CG2 3.84Å; F342-V369 HydrophobicContact CZ-CG2 4.49Å; L365-V369 WeakPolarHBondContact O-CB 3.36Å; L365-V369 VanDerWaalsContact O-CG2 3.24Å; L365-V369 WeakPolarHBondContact O-CG2 3.41Å; L365-V369 PolarHBondContact O-N 3.44Å; V369-K371 VanDerWaalsContact C-N 3.27Å; V369-K371 PolarHBondContact O-N 2.86Å
370S44.3Very low38.9Very low19 Ų1997 Ų9713%0.13354%0.541CS..Hα-helixtrans-59.9-36173.7-60.20000112.6H52 K54 L366 T367 E368H52-S370 PolarHBondContact CE1-OG 2.8Å; H52-S370 VanDerWaalsContact CE1-OG 3.27Å; H52-S370 PolarHBondContact ND1-OG 2.95Å; H52-S370 PolarHBondContact O-OG 3.44Å; H52-S370 VanDerWaalsContact O-OG 3.08Å; K54-S370 WeakPolarHBondContact CE-O 3.2Å; K54-S370 PolarHBondContact NZ-O 2.96Å; L366-S370 PolarHBondContact O-N 3.03Å; L366-S370 PolarHBondContact O-OG 2.73Å; T367-S370 WeakPolarHBondContact O-CB 3.39Å; E368-S370 PolarHBondContact O-N 3.31Å; E368-S370 VanDerWaalsContact O-N 3.15Å
371K39.7Very low38.8Very low122 Ų12293.1 Ų93.153%0.5354%0.539SS..Hα-helixtrans-83.1-41.9-173.9-58.3167.7-164.2165.60113T367 E368 V369 Q373 D374T367-K371 WeakPolarHBondContact O-CG 3.45Å; E368-K371 WeakPolarHBondContact O-CB 3.32Å; E368-K371 PolarHBondContact O-N 2.8Å; E368-K371 IonicContact OE1-NZ 2.69Å; E368-K371 PolarHBondContact OE1-NZ 3.04Å; V369-K371 VanDerWaalsContact C-N 3.27Å; V369-K371 PolarHBondContact O-N 2.86Å; K371-Q373 PolarHBondContact O-N 2.8Å; K371-D374 PolarHBondContact O-N 3.01Å
372E36.8Very low38.8Very low140 Ų14096.6 Ų96.665%0.65455%0.55SS**Hα-helixtrans-67.9-21.7-175-64.4-170.6138.300113E368 D374E368-E372 PolarHBondContact O-N 3.4Å; E372-D374 PolarHBondContact O-N 3.25Å
373Q38Very low38.5Very low93 Ų93100.3 Ų100.344%0.43556%0.558SS.*THydrogen-bonded Turntrans-91.226.7177.4-93.4-169.3-6.100115.1K54 S340 K371K54-Q373 HydrophobicContact CD-CB 3.84Å; K54-Q373 PolarHBondContact NZ-O 3.4Å; S340-Q373 PolarHBondContact OG-NE2 2.7Å; K371-Q373 PolarHBondContact O-N 2.8Å
374D30.7Very low38.1Very low121 Ų121104.4 Ų104.465%0.64757%0.573SS**  trans-95.97-179.8-94.216.8000115.3K54 K371 E372 G376K54-D374 IonicContact NZ-OD1 3.83Å; K54-D374 PolarHBondContact NZ-OD1 3.33Å; K371-D374 PolarHBondContact O-N 3.01Å; E372-D374 PolarHBondContact O-N 3.25Å; D374-G376 PolarHBondContact O-N 2.87Å
375I36.3Very low37Very low174 Ų174109.5 Ų109.589%0.89260%0.6SS**SBendtrans-94.881.9170-52.7-179.7000109.7
376G31.7Very low35.8Very low71 Ų71111.8 Ų111.873%0.73262%0.617SS**  trans172.624.4-179.800000117.7D374 C378D374-G376 PolarHBondContact O-N 2.87Å; G376-C378 PolarHBondContact O-N 3.33Å
377A28.2Very low34.5Very low104 Ų104122.7 Ų122.786%0.8666%0.657SS**  trans-78.285.5-172.600000113.7
378C31.6Very low33.2Very low105 Ų105132.2 Ų132.271%0.70969%0.69SS**  trans-146.1163.8159.2-91.50000110.2G376G376-C378 PolarHBondContact O-N 3.33Å
379F30.4Very low32.3Very low199 Ų199139.1 Ų139.187%0.87371%0.711SS**  trans68.965.7-173.9-47.1-70.7000115.2
380S26.8Very low31.2Very low116 Ų116140.6 Ų140.681%0.81173%0.732SS**  trans-153.584.4154.3-76.30000109.4
381N29.6Very low30.5Very low164 Ų164147.1 Ų147.188%0.87777%0.765SS**  trans-17999161.6-96.1-16.1000108
382D27.1Very low30Very low167 Ų167147.5 Ų147.589%0.89377%0.773SS**  trans-159.5150.6155.4-121.5-34.2000110
383E27.6Very low29.7Very low168 Ų168147.6 Ų147.679%0.78578%0.778SS**  trans57.8135.7-168.9-79.5-163.593.300116.8
384M28.9Very low29.3Very low148 Ų148147.2 Ų147.273%0.72979%0.791SS**  cis-154.9135.8-2.6-179.5-165.5-108.800109.7
385D25.9Very low29.3Very low157 Ų157148 Ų14884%0.8480%0.795SS**  trans-150.2136.9148.3-154.8-10.9000111.4
386V30.8Very low29.2Very low107 Ų107147 Ų14765%0.64879%0.791SS**  trans-147.7108.9-175177.70000110.6
387R29.9Very low29.1Very low231 Ų231147.6 Ų147.687%0.87278%0.784SS**  trans-173124.1145-100.7140.2-165.9-172.84.3116.2
388R27.4Very low29.1Very low232 Ų232151.1 Ų151.188%0.87578%0.782SS**  trans66.985.5141.4-63.4-178.4170.5-171.8-1.5121.1
389R27.9Very low29Very low253 Ų253150.2 Ų150.296%0.95579%0.79SS**  -168.1143.2119-128.5167.9-74.7-152.5-0.3107.9
390G24.9Very low28.9Very low61 Ų61144.5 Ų144.563%0.62979%0.787SS**  cis138.3132.5-2.600000110.6
391L30.6Very low29.2Very low157 Ų157143.3 Ų143.382%0.82279%0.785SS**  trans100.5122.6-178.3-60.1161.8000116.4
392N29Very low29.3Very low130 Ų130145.6 Ų145.670%0.69579%0.787SS**  trans60.5149.9135.5-52.36.5000119.8
393N30.5Very low29.5Very low141 Ų141147.5 Ų147.575%0.75478%0.782SS**  cis-164.9154.4-11.3-118.220.3000109
394A29.8Very low29.7Very low85 Ų85144.4 Ų144.470%0.70278%0.779SS**  trans61159.5155.700000117.8
395D30.6Very low29.9Very low137 Ų137145.2 Ų145.273%0.73378%0.781SS**  cis-159.1162.6-18.6-113.3-31.5000109
396L34.1Very low30.1Very low155 Ų155142.9 Ų142.981%0.81278%0.777SS**  trans46.2149146.5-61.7168.9000121.3
397S29.8Very low30Very low83 Ų83142.8 Ų142.858%0.5878%0.781SS**  cis-158.4-174.3-14.5-1630000108.9
398E28.5Very low30Very low178 Ų178138.8 Ų138.883%0.83278%0.782SS**  trans9.3132.9158.9-67.6145.5112.300119.9
399G28.7Very low30.2Very low85 Ų85136.4 Ų136.488%0.87678%0.781SS**  107.1158.270.300000109.1
400G28.3Very low30.2Very low79 Ų79131.2 Ų131.281%0.81478%0.776SS**  cis-175.9139.50.200000107.9
401A33.5Very low30.3Very low92 Ų92134.6 Ų134.676%0.7678%0.78SS**  trans-53.6154.4-164.500000119
402K32Very low30.1Very low211 Ų211135.3 Ų135.392%0.91778%0.779SS**  178.7135117.9-94.7158.8-171.4176.70117.8
403R30.3Very low30.1Very low207 Ų207140.3 Ų140.378%0.78179%0.788SS**  trans-46.3142.9164.7165-168.8-179.9169.82.6118.7
404S32.8Very low31.3Very low104 Ų104138.3 Ų138.373%0.72778%0.783SS**  trans162.4146.3131.4-84.50000110.2
405Q32.3Very low31.2Very low164 Ų164143.1 Ų143.177%0.76679%0.791SS**  cis121.8105.214.7-109-166.8-36.400111.8
406S29.8Very low30.9Very low108 Ų108141.5 Ų141.576%0.75579%0.79SS**  trans174.6141.4153.9179.50000109.6
407S29.8Very low30.6Very low105 Ų105141.6 Ų141.673%0.73479%0.791SS**  cis101.394.2-6.885.20000121.4
408V29.8Very low30.5Very low148 Ų148142.4 Ų142.490%0.89780%0.803SS**  trans-151.9145.1151.5149.20000110.5
409E30.8Very low30.5Very low182 Ų182142.6 Ų142.685%0.8580%0.803SS**  trans-124.8170.8171.1-76.1-172.6105.300111.1
410V27.7Very low30.5Very low143 Ų143145.4 Ų145.487%0.86780%0.803SS**  trans148.8150.5141.8156.30000112.3
411N26.9Very low30.5Very low132 Ų132147.8 Ų147.871%0.70680%0.802SS**  cis-171.4170.5-41.8-163.3-5.7000109.3
412Q28Very low31.3Very low172 Ų172148.5 Ų148.580%0.80480%0.799SS**  trans88.8163.1158.3-53.6-171.115.300121.6
413R27.5Very low31.1Very low235 Ų235146.8 Ų146.889%0.88780%0.799SS**  trans-143.6-163.2-174.3-51.9171.6165.2169.4-6.4107.9
414P56Low31.1Very low100 Ų100142 Ų14265%0.64980%0.797SS**  cis-126.7-165.8-28.337.4-18.7000112
415H27.3Very low31.6Very low186 Ų186143.3 Ų143.386%0.86180%0.803SS**  178.7-174.5129.6-93.7-61.8000112.6
416S24.2Very low31.5Very low103 Ų103140.4 Ų140.472%0.7280%0.801SS**  trans-154.5154.9-151.1-1760000116.5
417L28.1Very low31.6Very low157 Ų157142 Ų14282%0.82280%0.8SS**  trans61.7128.8155.2-83.8166.4000122.5
418A28.5Very low31.7Very low100 Ų100145.3 Ų145.383%0.82680%0.804SS**  trans-159.7160.2145.300000111.3
419Q28.5Very low31.7Very low181 Ų181146.4 Ų146.485%0.84680%0.799SS**  trans-126.7164.2175.3-65.1175.7-28.200110.3
420V28.4Very low31.6Very low144 Ų144143.7 Ų143.787%0.87380%0.8SS**  trans175.5159.7136.9146.10000110.5
421T28.9Very low31.8Very low129 Ų129143.3 Ų143.379%0.79180%0.798SS**  trans-116.6-156.9-163.4-24.50000112.5
422P50.8Low32.5Very low107 Ų107143 Ų14370%0.69580%0.803SS**  trans-119.9-174.2-131.443.5-25.6000115.6
423L26.6Very low32.6Very low175 Ų175139.3 Ų139.392%0.91680%0.797SS**  trans-137.8148.7160.9-77.7177.8000112.4
424S30Very low33.3Very low107 Ų107134.2 Ų134.275%0.74879%0.794SS**  trans-114172.5172.7-48.50000110.5
425P44.5Very low32.1Very low132 Ų132137.8 Ų137.886%0.85780%0.799SS**  -127.7-176.6129.736.7-29.2000112.3
426S29.8Very low32.3Very low102 Ų102137.4 Ų137.471%0.71380%0.795SS**  trans-142.5169.9-158.357.40000115.3
427L31.7Very low32.5Very low141 Ų141144.5 Ų144.574%0.73881%0.806SS**  trans65.8121.5159.8-76.7154.2000119.4
428H31.8Very low32.6Very low176 Ų176142.4 Ų142.482%0.81581%0.805SS**  -167.1178.9101.2-100.5-70.8000111.5
429Q30.1Very low32.6Very low171 Ų171143.4 Ų143.480%0.79981%0.806SS**  trans-101.5152.9-165.6-58.8159.7-47.500113.4
430S28.9Very low32.8Very low125 Ų125140.3 Ų140.387%0.87481%0.805SS**  179.6149.2124.837.40000113.9
431T31Very low32.9Very low134 Ų134140.3 Ų140.382%0.82281%0.805SS**  trans-96.3159.5168.4-0.40000109.4
432P41.4Very low33Very low125 Ų125138.8 Ų138.881%0.81280%0.799SS**  -149.7-176.373.540.3-20.2000116.4
433S31Very low32.1Very low95 Ų95141.4 Ų141.466%0.66481%0.806SS**  trans-98.4175.817058.90000111.5
434P41.6Very low32.7Very low128 Ų128139.7 Ų139.783%0.83180%0.803SS**  -133.5176.1125.837.6-29.1000113.8
435K31.8Very low32.9Very low175 Ų175143.2 Ų143.276%0.76181%0.808SS**  trans-132.1154.8-178.7-75.9-177.8174.2178.40112.3
436F30.1Very low32.3Very low178 Ų178146 Ų14678%0.78181%0.81SS**  trans55.4129.8155.3-68.9-59.4000121
437R28.9Very low32.6Very low252 Ų252147.1 Ų147.195%0.95181%0.812SS**  -153.4160.1112.7-107.1174-169.2-157.21.9110.7
438S30.4Very low32.9Very low113 Ų113151 Ų15179%0.7982%0.817SS**  trans-119.6157.2-173.4-47.50000111.5
439S29.2Very low33.2Very low122 Ų122146.4 Ų146.485%0.85381%0.81SS**  trans-145.1145.7162.454.90000109.9
440S31Very low33.5Very low116 Ų116145.7 Ų145.781%0.81181%0.806SS**  trans-142.3135.6-165.854.40000112.2
441V31.8Very low34Very low144 Ų144149.4 Ų149.487%0.87380%0.801SS**  trans-145.5155.2165.3-145.40000110.8
442S30.9Very low34.4Very low97 Ų97150 Ų15068%0.67879%0.794SS**  trans-29.7142.8176.849.80000117.5
443L32.4Very low34.2Very low161 Ų161147.3 Ų147.384%0.84378%0.783SS**  cis57.883.838.8-81.8173.9000116.6
444T37.7Very low34.6Very low139 Ų139149.9 Ų149.985%0.85378%0.784SS**  trans-168.189.1138.1440000112.3
445E34Very low34.4Very low182 Ų182153.9 Ų153.985%0.8578%0.783SS**  trans-164.6-12.7146.4-121.3-171.9156.900116.7T447E445-T447 VanDerWaalsContact C-N 3.27Å; E445-T447 PolarHBondContact O-N 3.27Å
446E33.6Very low34.8Very low190 Ų190151.5 Ų151.589%0.88878%0.778SS**THydrogen-bonded Turntrans-75.256.2-175.4-68-162.7109.800116.1
447T36.2Very low35.1Very low125 Ų125146.2 Ų146.277%0.76777%0.767SS**THydrogen-bonded Turntrans-132.6-1.4169.641.60000115.5E445E445-T447 VanDerWaalsContact C-N 3.27Å; E445-T447 PolarHBondContact O-N 3.27Å
448R36.9Very low35.4Very low222 Ų222136.2 Ų136.284%0.83874%0.742SS**SBendtrans-96.9-40177.5-121.8172.6-177.9148.70.7114.7H450R448-H450 PolarHBondContact O-N 3.11Å
449A39Very low35.9Very low81 Ų81135.6 Ų135.667%0.66973%0.734SS**THydrogen-bonded Turntrans-61-42.6-177.500000113.5R451 Q452A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.07Å; A449-R451 VanDerWaalsContact O-N 3.15Å; A449-Q452 PolarHBondContact O-N 2.77Å; A449-Q452 VanDerWaalsContact O-N 3.13Å
450H36.4Very low36.3Very low156 Ų156138.8 Ų138.872%0.72273%0.728SS**Hα-helixtrans-69.5-15.4-170-125.177.5000115.1R448R448-H450 PolarHBondContact O-N 3.11Å
451R38.1Very low36.6Very low203 Ų203136.8 Ų136.877%0.76672%0.718SS**Hα-helixtrans-89.2-8.6175.5-74.1-175.2177.3168.71.7114.2A449A449-R451 VanDerWaalsContact C-N 3.26Å; A449-R451 PolarHBondContact O-N 3.07Å; A449-R451 VanDerWaalsContact O-N 3.15Å
452Q39.8Very low36.7Very low146 Ų146136.6 Ų136.668%0.68271%0.713SS**Hα-helixtrans-95.2-37.3-178-154.9153.2-16.100111.7A449 Q454 R455A449-Q452 PolarHBondContact O-N 2.77Å; A449-Q452 VanDerWaalsContact O-N 3.13Å; Q452-Q454 VanDerWaalsContact C-N 3.34Å; Q452-Q454 PolarHBondContact O-N 3.15Å; Q452-R455 PolarHBondContact O-N 3.31Å; Q452-R455 VanDerWaalsContact O-N 3.14Å
453A38Very low36.9Very low68 Ų68143.5 Ų143.556%0.56272%0.724SS**Hα-helixtrans-56-42.7173.900000113.2R455 L456A453-R455 PolarHBondContact O-N 3.07Å; A453-R455 VanDerWaalsContact O-N 3.14Å; A453-L456 PolarHBondContact O-N 3.17Å
454Q37.8Very low36.9Very low150 Ų150140.9 Ų140.970%0.70172%0.719SS**Hα-helixtrans-68.2-10.2-179.9-71.3-173.9-21.400114.7Q452Q452-Q454 VanDerWaalsContact C-N 3.34Å; Q452-Q454 PolarHBondContact O-N 3.15Å
455R39.1Very low37Very low211 Ų211145.7 Ų145.780%0.79672%0.721SS**Hα-helixtrans-90.5-24.4176.7-75.7-176.2169.8176.1-3.2114.2Q452 A453Q452-R455 PolarHBondContact O-N 3.31Å; Q452-R455 VanDerWaalsContact O-N 3.14Å; A453-R455 PolarHBondContact O-N 3.07Å; A453-R455 VanDerWaalsContact O-N 3.14Å
456L39Very low37.1Very low125 Ų125148.7 Ų148.765%0.65473%0.725SS**Hα-helixtrans-80.4-39.4176.1-83.2155.3000112A453 G458 V459A453-L456 PolarHBondContact O-N 3.17Å; L456-G458 PolarHBondContact O-N 3.05Å; L456-G458 VanDerWaalsContact O-N 3.15Å; L456-V459 PolarHBondContact O-N 2.82Å; L456-V459 VanDerWaalsContact O-N 3.15Å
457A37.6Very low37.1Very low68 Ų68150.9 Ų150.956%0.56273%0.725SS**Hα-helixtrans-57-30.2175.300000113.6V459A457-V459 VanDerWaalsContact C-N 3.26Å; A457-V459 PolarHBondContact O-N 2.83Å
458G35.3Very low36.9Very low41 Ų41151.1 Ų151.142%0.42373%0.729SS.*Hα-helixtrans-69.2-15.2179.900000115.6L456L456-G458 PolarHBondContact O-N 3.05Å; L456-G458 VanDerWaalsContact O-N 3.15Å
459V40.5Very low36.6Very low101 Ų101148 Ų14861%0.61273%0.729SS**Hα-helixtrans-84.3-43.1-178.6-176.80000111.3L456 A457L456-V459 PolarHBondContact O-N 2.82Å; L456-V459 VanDerWaalsContact O-N 3.15Å; A457-V459 VanDerWaalsContact C-N 3.26Å; A457-V459 PolarHBondContact O-N 2.83Å
460Y37.7Very low36.5Very low189 Ų189149.4 Ų149.474%0.74173%0.731SS**Hα-helixtrans-74.5-27.6-177.3-74.4-94.2000113.3N462Y460-N462 PolarHBondContact O-N 3.5Å
461A36.4Very low36.4Very low73 Ų73151 Ų15160%0.60374%0.739SS**THydrogen-bonded Turntrans-65.4-17.6179.900000115
462N34.2Very low36.2Very low141 Ų141147.1 Ų147.175%0.75474%0.74SS**THydrogen-bonded Turntrans-102.96.7-164.6-96.4-47.7000116.7Y460Y460-N462 PolarHBondContact O-N 3.5Å
463R34.1Very low36Very low241 Ų241147.4 Ų147.491%0.90974%0.741SS**SBendtrans-97.5-18168.4-82.9-172.4172.8-176.80.3114.5R465R463-R465 PolarHBondContact O-N 2.84Å
464S33.3Very low35.8Very low107 Ų107149.9 Ų149.975%0.74875%0.752SS**  trans-80.854.4-177.2-590000114
465R39.6Very low35.6Very low239 Ų239149.4 Ų149.490%0.90275%0.754SS**  trans-135.572.8166.2-75-164.6177-159.20.1111.9R463R463-R465 PolarHBondContact O-N 2.84Å
466R35.8Very low35.2Very low245 Ų245143.8 Ų143.893%0.92575%0.752SS**SBendtrans-113.2158.7152.9-71.8-170.2174.4-165.8-0.6109.2
467R35.3Very low34.9Very low236 Ų236142.3 Ų142.389%0.89176%0.758SS**  trans-62.4149.1-163.9-63.1177.6-179.7171.6-1.5112.6
468P31.2Very low34.8Very low130 Ų130148.6 Ų148.684%0.84478%0.776SS**  trans-61.6139.9160.529.6-34.2000109.6
469N30.6Very low34.6Very low156 Ų156155.2 Ų155.283%0.83480%0.796SS**  trans-111.7153.1171.1-143.536.4000107.7
470P35.9Very low34Very low111 Ų111157.7 Ų157.772%0.72181%0.805SS**PPolyproline II helixtrans-71.4161.5-16628.9-34.8000113.7
471Q34.8Very low33.9Very low190 Ų190151.3 Ų151.389%0.88879%0.785SS**PPolyproline II helixtrans-61.6147.8177.3-74.5-176.3-30.800112.4
472P35Very low33.6Very low121 Ų121153.6 Ų153.679%0.78679%0.787SS**PPolyproline II helixtrans-73.7142.6174.631.1-34.6000112.1
473H34Very low33.6Very low153 Ų153150 Ų15071%0.70877%0.767SS**PPolyproline II helixtrans-73.5141.5171.4-152.9-87.9000110.1D475H473-D475 PolarHBondContact O-N 2.82Å
474P34.1Very low33.3Very low120 Ų120145 Ų14578%0.77975%0.749SS**THydrogen-bonded Turntrans-75.123.8-169.530.5-38.1000116.6
475D33.1Very low33.3Very low140 Ų140144.8 Ų144.875%0.74975%0.746SS**THydrogen-bonded Turntrans-130.630-175.8-83-60.1000113.6H473 A477H473-D475 PolarHBondContact O-N 2.82Å; D475-A477 PolarHBondContact O-N 3.47Å
476A32.5Very low32.9Very low93 Ų93141 Ų14177%0.76974%0.743SS**  trans-82.1107.7175.800000111.7
477A32.2Very low32.5Very low93 Ų93133.8 Ų133.877%0.76973%0.73SS**  trans-62.2153.5175.900000112.9D475 Q479D475-A477 PolarHBondContact O-N 3.47Å; A477-Q479 PolarHBondContact O-N 3.03Å
478Q36Very low32.3Very low200 Ų200129 Ų12994%0.93573%0.73SS**  trans-58.7105.7-177.5-65.9178-2.600111.8L480Q478-L480 PolarHBondContact O-N 3.06Å
479Q30Very low32.2Very low181 Ų181126.2 Ų126.285%0.84672%0.718SS**  trans-80.4109.8-175.5-1671689.200111.2A477 V481A477-Q479 PolarHBondContact O-N 3.03Å; Q479-V481 PolarHBondContact O-N 3.03Å
480L28.8Very low32.3Very low153 Ų153129.4 Ų129.480%0.80172%0.72SS**  trans-64.2123.6169.1-74.1170.2000109.8Q478 L482Q478-L480 PolarHBondContact O-N 3.06Å; L480-L482 PolarHBondContact O-N 2.86Å
481V35.9Very low31.9Very low54 Ų54130.5 Ų130.533%0.32772%0.715SS.*  trans-7594.1-178.2-175.60000110Q479 L483Q479-V481 PolarHBondContact O-N 3.03Å; V481-L483 HydrophobicContact CG1-CD2 3.88Å; V481-L483 HydrophobicContact CG1-CG 4.11Å; V481-L483 PolarHBondContact O-N 2.63Å
482L29.2Very low31.6Very low121 Ų121132.4 Ų132.463%0.63472%0.716SS**  trans-7191.8170-79.3169.9000110.2L480 Y484L480-L482 PolarHBondContact O-N 2.86Å; L482-Y484 PolarHBondContact O-N 3.5Å
483L33.5Very low31.4Very low67 Ų67132.6 Ų132.635%0.35171%0.706SS.*  trans-68.991174.6-69.1174.2000111.3T130 V481T130-L483 HydrophobicContact CG2-CD1 3.94Å; V481-L483 HydrophobicContact CG1-CD2 3.88Å; V481-L483 HydrophobicContact CG1-CG 4.11Å; V481-L483 PolarHBondContact O-N 2.63Å
484Y28.2Very low31.3Very low134 Ų134128.1 Ų128.153%0.52569%0.691SS.*  trans-124.1117.1165.9-87.5-71.8000110.6Q234 L482 N486Q234-Y484 WeakPolarHBondContact CG-OH 3.47Å; L482-Y484 PolarHBondContact O-N 3.5Å; Y484-N486 PolarHBondContact O-N 3.35Å
485P34.4Very low31Very low104 Ų104129 Ų12968%0.67569%0.693SS**  trans-81.6106.3179.331.2-32.9000111.5
486N30.1Very low31Very low160 Ų160128.4 Ų128.486%0.85669%0.69SS**  trans-10968.7167.4-88.5-23.6000110.7Y484Y484-N486 PolarHBondContact O-N 3.35Å
487S28.5Very low30.8Very low93 Ų93128.2 Ų128.265%0.6568%0.68SS**SBendtrans-147.9129.5165.2-81.70000109.5A489S487-A489 PolarHBondContact O-N 3.29Å
488P30.3Very low30.8Very low135 Ų135129.6 Ų129.688%0.87768%0.684SS**  trans-86.231.9-162.935.4-38.4000114.7
489A29.8Very low30.7Very low72 Ų72128.2 Ų128.260%0.59568%0.676SS**SBendtrans-108.7129.3173.800000109.9S487S487-A489 PolarHBondContact O-N 3.29Å
490Y32.1Very low30.8Very low222 Ų222125 Ų12587%0.87167%0.67SS**  trans63.351.8177.4-53.4-72.4000117.3Y492Y490-Y492 PolarHBondContact O-N 2.93Å
491Q27.4Very low31Very low134 Ų134127.8 Ų127.863%0.62668%0.676SS**  trans-80.1106.1162.5-76.1-171.2-800112.3H493Q491-H493 PolarHBondContact O-N 3.08Å
492Y29.5Very low30.7Very low230 Ų230131.7 Ų131.790%0.90270%0.7SS**  trans-92.672.6160.6-92.5-76000110.9Y490Y490-Y492 PolarHBondContact O-N 2.93Å
493H30.6Very low31Very low126 Ų126129.7 Ų129.758%0.58370%0.7SS**  trans-102.5141.1171.3-68.9-41.7000111.9Q491 V495Q491-H493 PolarHBondContact O-N 3.08Å; H493-V495 PolarHBondContact O-N 3.19Å
494P30.7Very low30.8Very low59 Ų59132.5 Ų132.538%0.38372%0.723SS.*  trans-69.9115.7164.629.6-31.3000108.9L496P494-L496 PolarHBondContact O-N 3.33Å
495V29.2Very low31Very low138 Ų138131.5 Ų131.584%0.83674%0.736SS**  trans-58.3119.5-179.4177.70000110.7H493H493-V495 PolarHBondContact O-N 3.19Å
496L31.6Very low31Very low128 Ų128132.5 Ų132.567%0.6774%0.742SS**  trans-80135.4163.3-67.8175.8000109P494 S498P494-L496 PolarHBondContact O-N 3.33Å; L496-S498 PolarHBondContact O-N 3.38Å
497P29.8Very low31Very low88 Ų88132.6 Ų132.657%0.57174%0.742SS**  trans-72.1111.4175.128.4-33.3000110.8F499P497-F499 HydrophobicContact CB-CD2 4.41Å; P497-F499 HydrophobicContact CB-CE2 3.9Å; P497-F499 HydrophobicContact CB-CZ 4.16Å; P497-F499 HydrophobicContact CG-CD2 4.42Å; P497-F499 HydrophobicContact CG-CE2 3.67Å; P497-F499 HydrophobicContact CG-CZ 4.17Å; P497-F499 WeakPolarHBondContact O-CD2 3.44Å; P497-F499 PolarHBondContact O-N 2.78Å; P497-F499 VanDerWaalsContact O-N 3.12Å
498S30.6Very low31.1Very low122 Ų122133.5 Ų133.585%0.85374%0.743SS**  trans-70.598.6168-60.90000110L496L496-S498 PolarHBondContact O-N 3.38Å
499F34.7Very low31.1Very low172 Ų172134.9 Ų134.975%0.75474%0.738SS**PPolyproline II helixtrans-79.4131.9170.8-67.5-79.6000110.4P497P497-F499 HydrophobicContact CB-CD2 4.41Å; P497-F499 HydrophobicContact CB-CE2 3.9Å; P497-F499 HydrophobicContact CB-CZ 4.16Å; P497-F499 HydrophobicContact CG-CD2 4.42Å; P497-F499 HydrophobicContact CG-CE2 3.67Å; P497-F499 HydrophobicContact CG-CZ 4.17Å; P497-F499 WeakPolarHBondContact O-CD2 3.44Å; P497-F499 PolarHBondContact O-N 2.78Å; P497-F499 VanDerWaalsContact O-N 3.12Å
500P32.9Very low31Very low112 Ų112137.9 Ų137.973%0.72774%0.744SS**PPolyproline II helixtrans-68.9137.5172.628.8-33.3000110.5V502P500-V502 PolarHBondContact O-N 3.33Å
501F31.4Very low30.9Very low213 Ų213132.5 Ų132.593%0.93474%0.739SS**PPolyproline II helixtrans-69.9119.3168-97.3-97000109.5A503F501-A503 PolarHBondContact O-N 2.79Å
502V30.3Very low31.8Very low136 Ų136131.2 Ų131.282%0.82474%0.742SS**  trans-83.8107.2166.7179.20000108P500P500-V502 PolarHBondContact O-N 3.33Å
503A34.6Very low31.8Very low78 Ų78125.5 Ų125.565%0.64574%0.736SS**PPolyproline II helixtrans-83.5146162.800000109.5F501F501-A503 PolarHBondContact O-N 2.79Å
504P31.1Very low31.8Very low127 Ų127125.8 Ų125.883%0.82575%0.746SS**PPolyproline II helixtrans-77.6127.9176.630.9-32.9000111.1
505S32.3Very low31.5Very low113 Ų113128 Ų12879%0.7976%0.763SS**PPolyproline II helixtrans-100.1138.7166.6-58.60000110.1
506P33.8Very low32.3Very low125 Ų125126.6 Ų126.681%0.81276%0.757SS**PPolyproline II helixtrans-74.6169.9170.632.5-34.6000112.2
507L30.4Very low32.2Very low162 Ų162127.2 Ų127.285%0.84876%0.76SS**PPolyproline II helixtrans-60.3159170.7-56.9153.4000109.8
508T29.6Very low32.1Very low111 Ų111134 Ų13468%0.68177%0.774SS**  cis-161.8153.543.144.40000112.7
509Q30.1Very low32.1Very low165 Ų165139.5 Ų139.577%0.77178%0.776SS**  trans61.9148152.8-71.1176.1-91.900118.5
510D28.5Very low31.8Very low134 Ų134138.1 Ų138.172%0.71778%0.776SS**  cis-143.4179.4-1-115.8-36.5000112.1
511S29.5Very low31.6Very low109 Ų109142.5 Ų142.576%0.76278%0.784SS**  trans-99.6-175-177.3-500000112.3
512P46.7Very low31.6Very low108 Ų108143.2 Ų143.270%0.70178%0.781SS**  cis-137.3175.8-841.5-24.6000116.4
513S28.7Very low32.8Very low110 Ų110141.4 Ų141.477%0.76977%0.772SS**  trans67.8165151.475.40000118.1
514V31Very low32.5Very low131 Ų131149.3 Ų149.379%0.79479%0.787SS**  cis-135.7143.28171.40000110.4
515S24.9Very low32.4Very low106 Ų106146.4 Ų146.474%0.74178%0.78SS**  trans-86.8153.3167.7-47.40000110.4
516P46Very low32.4Very low108 Ų108147.5 Ų147.570%0.70179%0.787SS**  -165.1-172.163.644.3-21000119.1
517I29.9Very low32.2Very low142 Ų142145.3 Ų145.373%0.72879%0.787SS**  trans58.3109.4143.2-75.2158.6000118.9
518R27.8Very low32.2Very low230 Ų230141.4 Ų141.487%0.86879%0.786SS**  57.1113.183.3-96-169.1173.4-160.80.6116.2
519R29.9Very low32.7Very low238 Ų238145.1 Ų145.190%0.89880%0.801SS**  -169.8156.9113.7-105.6163.7179.1147.5-1.2112.4
520N29.1Very low32.6Very low143 Ų143141 Ų14177%0.76580%0.803SS**  trans-81.9162.6172-53.4-29.2000109.9
521F28.7Very low32.8Very low204 Ų204143.1 Ų143.190%0.89581%0.813SS**  -171159.9109.8-98.3-67.4000112.1
522R30.6Very low32.8Very low228 Ų228142.6 Ų142.686%0.8682%0.815SS**  trans-117.9-173.6171.5-74.7-177160.5-161.7-0.5107.7
523P55.8Low32.1Very low98 Ų98148.1 Ų148.164%0.63682%0.822SS**  -136.5150.4-64.139.1-23.4000113.6
524Y29Very low32.1Very low244 Ų244147.8 Ų147.896%0.95782%0.815SS**  trans-155.9158156.7-79.2-77.1000108
525G28.6Very low32Very low66 Ų66152 Ų15268%0.6882%0.818SS**  cis155.5126.2-900000112.7
526S32.8Very low32.3Very low136 Ų136155.7 Ų155.795%0.95182%0.824SS**  trans71145.7168.4-1580000120
527G28.8Very low31.6Very low78 Ų78157.5 Ų157.580%0.80483%0.833SS**  trans107.4138.8141.300000118.9
528G30.3Very low31.5Very low81 Ų81154.3 Ų154.384%0.83584%0.835SS**  trans123.899.1156.300000117
529L39.8Very low31.8Very low189 Ų189148.2 Ų148.299%0.9983%0.828SS**  trans-91.8143.1156.5-76.5166.6000109
530G28.8Very low31.9Very low78 Ų78144.3 Ų144.380%0.80483%0.825SS**  trans-148.9140.2-178.300000113.1
531L32.3Very low31.9Very low179 Ų179141.3 Ų141.394%0.93783%0.828SS**  trans-90.7175.5-172.9-80.1158.5000113.9
532A30.2Very low32Very low97 Ų97134.9 Ų134.980%0.80282%0.819SS**  trans93.1158147.500000120.1
533R30.1Very low32Very low224 Ų224136.1 Ų136.185%0.84582%0.824SS**  cis-177.3145.6-37.3-157.9-166.8178.2174.1-1.4109.2
534V28.9Very low30.8Very low103 Ų103138.9 Ų138.962%0.62483%0.832SS**  trans66.7143.8168.2-144.10000113.1
535Y29.3Very low30.8Very low219 Ų219135.2 Ų135.286%0.85983%0.828SS**  -151.9168.654.1-96.8-89000115.5
536Q31.7Very low30.8Very low185 Ų185135.5 Ų135.586%0.86483%0.832SS**  trans-123.1148.4179.1-86-175.5-3400113
537T30.2Very low30.8Very low145 Ų145136.1 Ų136.189%0.8983%0.83SS**  trans-145.1148.5143.147.30000105.8
538G29.4Very low30.7Very low75 Ų75136 Ų13677%0.77383%0.828SS**  cis109.2127.914.400000110
539S32.8Very low30.6Very low102 Ų102140.1 Ų140.171%0.71383%0.825SS**  cis-164.3171.9-8.2-171.70000110.2
540N32.1Very low30.2Very low156 Ų156136.9 Ų136.983%0.83481%0.814SS**  trans73.8148.3167.9-45-16.9000115.9
541G30Very low30.3Very low81 Ų81141.1 Ų141.184%0.83581%0.813SS**  cis123.8130.3-300000112.6
542G29.9Very low30.3Very low69 Ų69137.1 Ų137.171%0.71181%0.805SS**  cis178.7-157.91.700000112.2
543R31.1Very low30.2Very low253 Ų253136.1 Ų136.196%0.95581%0.805SS**  trans80.5140.3-172.7-49.8175.6-173.2-158.50.4114.1
544L29.9Very low30.2Very low156 Ų156133.4 Ų133.482%0.81780%0.801SS**  cis117133.60.3-163.584.6000114
545L30.3Very low30.2Very low167 Ų167138.4 Ų138.487%0.87481%0.81SS**  trans76.4147.8-179.8-51.5179.4000115.5
546G28.1Very low30.3Very low73 Ų73133.5 Ų133.575%0.75381%0.808SS**  cis-151.3-168.85.800000114.7
547V31.7Very low30.4Very low149 Ų149131.2 Ų131.290%0.90380%0.802SS**  trans-101.5150.3-169.4175.50000112.3
548G28.1Very low30.4Very low75 Ų75132 Ų13277%0.77380%0.8SS**  trans-151.6144.5166.900000111.1
549H28.6Very low30.6Very low167 Ų167132.7 Ų132.777%0.77379%0.793SS**  trans-155.6118.4-163-169.9-65.9000112.8
550T30.5Very low30.5Very low122 Ų122134.7 Ų134.775%0.74880%0.796SS**  trans-171.1130.5161.324.60000106.2
551E30.4Very low30.3Very low167 Ų167135.8 Ų135.878%0.7879%0.794SS**  57.6143.971.8-63.9-17115000114.2
552A33.3Very low30.4Very low95 Ų95139.4 Ų139.479%0.78579%0.793SS**  cis175.3142.8-22.500000104.8
553G27.6Very low30.9Very low76 Ų76142 Ų14278%0.78480%0.797SS**  trans-156.1146.3-177.200000111.8
554H30.5Very low30.8Very low166 Ų166133.4 Ų133.477%0.76979%0.788SS**  trans-140.7141.9-155.7-110.4-67000113.2
555Y28.1Very low31Very low209 Ų209134.1 Ų134.182%0.8279%0.791SS**  trans63.3160.3168.8-75.5-90.5000115.7
556S31.8Very low31.2Very low115 Ų115132.2 Ų132.280%0.80479%0.789SS**  cis-128.4169.912.6-61.20000114.2
557D33.8Very low31.4Very low138 Ų138140.2 Ų140.274%0.73880%0.796SS**  trans-99.8146.6168.7-178.523.3000109.9
558D30.9Very low31.3Very low162 Ų162144.9 Ų144.987%0.86680%0.798SS**  trans-168.4161.2159.9-127.1-33.8000113
559S32.1Very low31.4Very low88 Ų88148.4 Ų148.462%0.61580%0.804SS**  trans-120154.6-151.5-71.20000119.7
560N31Very low31.5Very low145 Ų145145 Ų14578%0.77581%0.805SS**  trans88.5151.1143.9-75-38.9000124.4
561F28.7Very low31.6Very low179 Ų179144.9 Ų144.979%0.78581%0.809SS**  trans68.395.3160.9-80.7-71.6000122.9
562L32.2Very low31.8Very low156 Ų156145.4 Ų145.482%0.81781%0.811SS**  45.5155.1125.9-69.6176.7000122.9
563P40.2Very low32.3Very low123 Ų123146.5 Ų146.580%0.79981%0.811SS**  trans-100.7157.3-145.938.6-37.7000116.9
564G29.1Very low32.5Very low74 Ų74149.3 Ų149.376%0.76381%0.808SS**  trans-123.1139.9166.700000112.7
565L33.9Very low32.4Very low171 Ų171147.2 Ų147.290%0.89581%0.806SS**PPolyproline II helixtrans-88.6137.8178.3-68.9167.3000111.9
566P35Very low32.5Very low127 Ų127146.9 Ų146.983%0.82581%0.809SS**PPolyproline II helixtrans-77.2134169.529.3-30.3000111.8
567R31.1Very low32.6Very low240 Ų240150.3 Ų150.391%0.90681%0.81SS**PPolyproline II helixtrans-79.1153.4-179.9-70.7178.8171.3174.9-3.6112.6
568R30.5Very low32.3Very low248 Ų248153 Ų15394%0.93682%0.818SS**PPolyproline II helixtrans-75.9146.8158.5-69.7-179.4178.7160.40.3110.2
569V30.3Very low32.3Very low148 Ų148152.6 Ų152.690%0.89781%0.814SS**PPolyproline II helixtrans-87145167.8179.70000109.1
570A30.9Very low32.1Very low97 Ų97153.9 Ų153.980%0.80282%0.824SS**  trans-124.3154.517700000110.8
571S31.8Very low32Very low118 Ų118158.4 Ų158.483%0.82583%0.83SS**  trans-136.8129.4165.648.10000110.1
572Q35.2Very low32Very low178 Ų178155.5 Ų155.583%0.83283%0.832SS**  trans-115.3171.6159.4-72.8-163.4-21.200108.2
573P43.8Very low31.9Very low119 Ų119152.5 Ų152.577%0.77383%0.829SS**  -133.6147.69613.58.1000114.8
574D30.7Very low31.5Very low135 Ų135154.1 Ų154.172%0.72283%0.831SS**  29.2139.7112-99.9-39.9000118.9
575V30.2Very low32.4Very low122 Ų122155.8 Ų155.874%0.73983%0.829SS**  cis-152.8131.734.7175.90000113.1
576K29.3Very low32.1Very low201 Ų201151.7 Ų151.787%0.87482%0.819SS**  trans45.9154.7140.7-134.2164.9-171.51710123.8
577F33.4Very low31.8Very low187 Ų187155.1 Ų155.182%0.8282%0.822SS**  trans-95.5158.9-173-65.3-100.1000115.7
578H28.3Very low32.2Very low195 Ų195150.9 Ų150.990%0.90382%0.817SS**  trans-145.3149.1145.6-99.4-86.4000111.7
579L30.6Very low32.8Very low153 Ų153144.7 Ų144.780%0.80181%0.809SS**  trans-95.7146172.7-73.874.1000110.7
580S28.7Very low32.8Very low116 Ų116141.9 Ų141.981%0.81180%0.801SS**  174.9116.2122.4-80.30000115.8
581R28.5Very low32.8Very low240 Ų240142.2 Ų142.291%0.90680%0.798SS**  38.9125.5128.7-148.5-174.2-173.3177.72.3121.6
582S28.4Very low32.8Very low117 Ų117144.3 Ų144.382%0.81880%0.795SS**  trans100.2158.6140.8-142.40000120.9
583A30.5Very low32.5Very low93 Ų93145.2 Ų145.277%0.76980%0.796SS**  trans75.797.2163.300000120.8
584N30.6Very low32.3Very low157 Ų157150.7 Ų150.784%0.8480%0.801SS**  trans-60.3173144-98.3-10.8000112.2
585P48.2Very low32.9Very low110 Ų110149.5 Ų149.571%0.71480%0.801SS**  cis-141.4179.2-13.837.8-18.5000116.8
586A29Very low32.9Very low84 Ų84151.7 Ų151.769%0.69481%0.808SS**  trans82.8159.3141.100000123.2
587F27.9Very low32.8Very low200 Ų200145.6 Ų145.688%0.87780%0.801SS**  trans76.2109.1168.8-79.9-82.5000122.2
588N38.9Very low32.6Very low150 Ų150145.5 Ų145.580%0.80280%0.797SS**  trans-74.3150.3146.5-88.8-27.4000109.7
589P43.9Very low32.8Very low119 Ų119143.5 Ų143.577%0.77378%0.783SS**  -132.5144.792.416.74.2000112.2
590A29.6Very low33.9Very low88 Ų88141.6 Ų141.673%0.72778%0.78SS**  89.8133.452.800000114.1
591S31.6Very low34.5Very low105 Ų105142.2 Ų142.273%0.73477%0.769SS**  trans64.4152.7178.8-84.60000116.8
592E32.1Very low35.1Very low162 Ų162138 Ų13876%0.75776%0.764SS**  cis-153.8147.9-2.5-137.2145.7-106.400111.4
593F28Very low35.4Very low197 Ų197138.6 Ų138.686%0.86476%0.763SS**  173144.2127.4-112.8-92.8000112.6
594R40.3Very low35.9Very low233 Ų233144.4 Ų144.488%0.87977%0.765SS**  trans-153.3148.8171.1-90.3-166.7177.2-156.40.2106.8
595P43.6Very low36.9Very low110 Ų110142.6 Ų142.671%0.71476%0.762SS**  -153.3152.884.837-16.5000118.8
596L29.6Very low36.4Very low169 Ų169142.4 Ų142.489%0.88576%0.763SS**  trans54.6124.7141.1-60.7170.3000122.8
597G26.6Very low37Very low72 Ų72149.2 Ų149.274%0.74277%0.771SS**  trans-171144.8160.700000109.9
598Y28.6Very low38.1Very low185 Ų185145 Ų14573%0.72576%0.763SS**  trans-160.5159.8-162.4-123.9-75.3000115.1
599Y33Very low38.1Very low153 Ų153143.5 Ų143.560%0.676%0.76SS**  trans73.6166.6158.8-69.6-48.3000119.9H601Y599-H601 AromaticContact CD1-CD2 3.71Å; Y599-H601 AromaticContact CD1-CE1 3.31Å; Y599-H601 WeakPolarHBondContact CD1-CE1 3.39Å; Y599-H601 AromaticContact CD1-CG 3.92Å; Y599-H601 AromaticContact CD1-ND1 3.68Å; Y599-H601 AromaticContact CD1-NE2 3.33Å; Y599-H601 VanDerWaalsContact CD1-NE2 3.33Å; Y599-H601 WeakPolarHBondContact CD1-NE2 3.13Å; Y599-H601 AromaticContact CD2-NE2 3.9Å; Y599-H601 AromaticContact CE1-CE1 3.06Å; Y599-H601 WeakPolarHBondContact CE1-CE1 3.48Å; Y599-H601 AromaticContact CE1-ND1 3.71Å; Y599-H601 AromaticContact CE1-NE2 3.43Å; Y599-H601 WeakPolarHBondContact CE1-NE2 3.04Å; Y599-H601 AromaticContact CE2-NE2 3.95Å; Y599-H601 AromaticContact CG-CD2 3.91Å; Y599-H601 AromaticContact CG-NE2 3.59Å; Y599-H601 AromaticContact CZ-CE1 3.58Å; Y599-H601 AromaticContact CZ-NE2 3.72Å
600P53.8Low37.5Very low114 Ų114147.4 Ų147.474%0.7476%0.761SS**  cis-110.2152.72.411.113.9000115
601H41.8Very low37.8Very low129 Ų129150.3 Ų150.360%0.59776%0.763SS**  69.3151.772-58.2-49.9000115.1Y599Y599-H601 AromaticContact CD1-CD2 3.71Å; Y599-H601 AromaticContact CD1-CE1 3.31Å; Y599-H601 WeakPolarHBondContact CD1-CE1 3.39Å; Y599-H601 AromaticContact CD1-CG 3.92Å; Y599-H601 AromaticContact CD1-ND1 3.68Å; Y599-H601 AromaticContact CD1-NE2 3.33Å; Y599-H601 VanDerWaalsContact CD1-NE2 3.33Å; Y599-H601 WeakPolarHBondContact CD1-NE2 3.13Å; Y599-H601 AromaticContact CD2-NE2 3.9Å; Y599-H601 AromaticContact CE1-CE1 3.06Å; Y599-H601 WeakPolarHBondContact CE1-CE1 3.48Å; Y599-H601 AromaticContact CE1-ND1 3.71Å; Y599-H601 AromaticContact CE1-NE2 3.43Å; Y599-H601 WeakPolarHBondContact CE1-NE2 3.04Å; Y599-H601 AromaticContact CE2-NE2 3.95Å; Y599-H601 AromaticContact CG-CD2 3.91Å; Y599-H601 AromaticContact CG-NE2 3.59Å; Y599-H601 AromaticContact CZ-CE1 3.58Å; Y599-H601 AromaticContact CZ-NE2 3.72Å
602L40.1Very low39.3Very low152 Ų152150.5 Ų150.580%0.79676%0.762SS**  cis-126-172.714.3-63.7154.5000110.1
603T35.9Very low39.1Very low129 Ų129151.2 Ų151.279%0.79177%0.77SS**  cis-148.7-1654.1-24.50000109.9
604R39.8Very low39Very low215 Ų215148.7 Ų148.781%0.81177%0.765SS**  trans-153.8174.9172.9-139.6-168.2-177.4170.34.9109.6
605P53Low38.4Very low118 Ų118142.2 Ų142.277%0.76676%0.756SS**  -141.5-148.692.133.6-13.6000115.5
606S37.2Very low37.5Very low106 Ų106142 Ų14274%0.74176%0.757SS**  -148.9-167.3-121.865.40000115.2
607R42.5Very low37.3Very low228 Ų228143.1 Ų143.186%0.8676%0.758SS**  trans-154.1149.7-177.6-176.9-164.7-170.2-168.27.7108.9
608P50.6Low37.7Very low111 Ų111146.8 Ų146.872%0.72176%0.759SS**  trans-127.6171.7161.535.6-21.3000114.1
609T37.6Very low38.4Very low119 Ų119143.5 Ų143.573%0.7376%0.761SS**  cis-169.4134.9-33.7-88.80000110.3
610Y32.6Very low38.2Very low201 Ų201143.3 Ų143.379%0.78877%0.77SS**  trans35.8123.6155-77.2-116.6000124.7
611L36.3Very low37.3Very low149 Ų149148.3 Ų148.378%0.7877%0.774SS**  25.8164.3111.4-62.7175.7000122
612P61.7Low37.3Very low109 Ų109148.2 Ų148.271%0.70879%0.785SS**  cis-137.2177.5-30.639.3-22.7000114.4
613L28.1Very low36.9Very low176 Ų176145.3 Ų145.392%0.92178%0.783SS**  trans177.4-159.7137.9-98.5167.8000113.6
614N26.8Very low36.7Very low144 Ų144144.9 Ų144.977%0.7779%0.785SS**  trans-117.6163.9-141.2-157.87.4000116.7
615S27.1Very low36.1Very low97 Ų97143.2 Ų143.268%0.67879%0.789SS**  trans77.6133.515271.80000123.8
616S25.5Very low35Very low107 Ų107143.4 Ų143.475%0.74879%0.791SS**  trans113.8124.4137.278.10000121.4
617Q25.5Very low34.8Very low192 Ų192146.7 Ų146.790%0.89780%0.797SS**  trans68.7137.5142.8-66.9-179.16.200124.6
618L34.3Very low34.4Very low148 Ų148143.6 Ų143.678%0.77580%0.796SS**  trans-65.4159.5160-106.3158.4000110.7
619P43.9Very low33.3Very low116 Ų116141.6 Ų141.675%0.75380%0.796SS**  -145157.791.738-21.8000117.7
620D28.6Very low32.8Very low149 Ų149139.7 Ų139.780%0.79780%0.8SS**  trans0.2161.4158.4-68.6-71.6000126.6
621R33.7Very low32.7Very low219 Ų219135.1 Ų135.183%0.82680%0.804SS**  trans-72.5163.5165.9-142.2178.2-169.7163.71.2110.5
622P42.8Very low32.6Very low128 Ų128133.1 Ų133.183%0.83181%0.809SS**  -139.6179.498.536.5-23.7000113.6
623A31.8Very low31.1Very low90 Ų90139.1 Ų139.174%0.74482%0.817SS**  trans-106.3162.8178.500000111.6
624S31.1Very low31.2Very low121 Ų121135.6 Ų135.685%0.84681%0.808SS**  trans-137.6148.8162.258.10000110.6
625M27.5Very low31.5Very low180 Ų180138.7 Ų138.789%0.88781%0.81SS**  trans-96.2158.4178.6-59169.9-73.700110.2
626C30Very low31.7Very low121 Ų121139.4 Ų139.482%0.81882%0.815SS**  trans-141.4135.4150.8-161.80000109.6
627M32.9Very low32Very low176 Ų176141.7 Ų141.787%0.86782%0.819SS**  trans-137.298.9-172.8-89.7-81.7-73.700109.6
628I34.1Very low32.4Very low162 Ų162138 Ų13883%0.83182%0.815SS**  trans-148.7137.9167.9-51.6-179.7000106.8
629G27.2Very low32.2Very low70 Ų70138.1 Ų138.172%0.72282%0.816SS**  cis153.6100.2-7.100000112.8
630G28.1Very low32.5Very low79 Ų79137.7 Ų137.781%0.81481%0.813SS**  trans74.5169.1171.400000116.6
631A30.3Very low32.5Very low105 Ų105139 Ų13987%0.86881%0.814SS**  cis-162.2136.8-17.500000111.3
632A33.8Very low32.4Very low107 Ų107134.5 Ų134.588%0.88481%0.811SS**  trans-158.8145.2159.300000109.7
633R30Very low31.6Very low234 Ų234137.7 Ų137.788%0.88381%0.812SS**  trans-105.2153.5-178.6-67171.1167.4163.2-6.9110.7
634S31.1Very low31.5Very low103 Ų103143.4 Ų143.472%0.7282%0.816SS**  163.2105.1104.2-1710000115.6
635Y32.8Very low32.1Very low208 Ų208142 Ų14282%0.81680%0.804SS**  trans54154135.6-72.3-80.1000125.6
636S30.9Very low32.2Very low113 Ų113144.3 Ų144.379%0.7981%0.805SS**  trans70.9109.8171-70.80000117.2
637D31.4Very low32.1Very low154 Ų154147.9 Ų147.982%0.82480%0.802SS**  cis94.3147.823.9-161.723.5000114.9
638S33.9Very low31.8Very low116 Ų116144.3 Ų144.381%0.81179%0.794SS**  trans103.182.7-173.5-43.50000116.4
639D31.2Very low32.3Very low150 Ų150142.1 Ų142.180%0.80279%0.79SS**  trans-86.6166.3145.8-130.4-32.3000107.9
640P48.8Very low33.3Very low107 Ų107143.6 Ų143.670%0.69579%0.786SS**  -152.1158.464.939.8-18.9000119
641E30.1Very low33.4Very low175 Ų175149.1 Ų149.182%0.81879%0.791SS**  trans45.1134.9138.4-61.2-171.4152.100122.6
642V30.8Very low33.3Very low126 Ų126152.5 Ų152.576%0.76479%0.789SS**  -171.6122.3112.9143.20000112.2
643F26.8Very low33.1Very low195 Ų195155.7 Ų155.786%0.85579%0.79SS**  trans50.1118154.8-78-100.1000124.3
644Y28.3Very low33Very low209 Ų209148.1 Ų148.182%0.8279%0.785SS**  trans-66.3178.2145.7-84.1-90.5000111.9
645P43.2Very low33.1Very low93 Ų93153 Ų15360%0.60479%0.793SS**  cis-136.8176.312.343.7-27.1000116.8
646Y29.8Very low32.9Very low227 Ų227151 Ų15189%0.8979%0.793SS**  -161.8149.1117.4-98.5-67000109.7
647Y28.5Very low32.7Very low197 Ų197152.2 Ų152.277%0.77380%0.795SS**  trans-132.4126.3-164.6-129.8-114.8000112
648C27.7Very low32.5Very low101 Ų101148.4 Ų148.468%0.68279%0.793SS**  trans63.9168.7133.7-80.10000121.9
649P43.3Very low32.2Very low116 Ų116149.1 Ų149.175%0.75380%0.797SS**  cis-127.2-125-39.132.2-10.6000113.3
650P49Very low32Very low100 Ų100146.7 Ų146.765%0.64980%0.799SS**  -132179.7-121.943.1-23.6000116.1
651H28.7Very low30.9Very low196 Ų196145 Ų14591%0.90780%0.801SS**  trans-145.7167.5147.3-99.5-73.9000111.6
652Q28.2Very low30.9Very low176 Ų176145.4 Ų145.482%0.82281%0.807SS**  trans-109.8163.6-157.6-57.7173.72.600114.3
653L30.7Very low30.7Very low174 Ų174144.5 Ų144.591%0.91181%0.813SS**  128.7128.4128.3-160.873.3000114.2
654G28.1Very low30.7Very low75 Ų75146.4 Ų146.477%0.77381%0.814SS**  trans150.892170.200000115.9
655K32.3Very low30.4Very low206 Ų206142.7 Ų142.790%0.89681%0.806SS**  trans-58.5147.7176.6-54.8162.8179.9172.50112.7
656M28.5Very low30Very low166 Ų166147.6 Ų147.682%0.81881%0.813SS**  152.6126.896.5-163.7146.5172.500115.3
657V27.9Very low30.1Very low137 Ų137143.9 Ų143.983%0.8380%0.802SS**  trans32.3130.6148.8179.10000121.1
658G27.3Very low30.6Very low75 Ų75137.3 Ų137.377%0.77378%0.784SS**  trans159.481.1149.800000118
659S27Very low31.6Very low130 Ų130135.2 Ų135.291%0.90977%0.771SS**  trans-95.1122.4167.1-179.20000111.2
660A26.5Very low32.3Very low100 Ų100129.7 Ų129.783%0.82674%0.735SS**  trans-157.4109.2170.500000114.2
661G26.6Very low33Very low72 Ų72128.3 Ų128.374%0.74273%0.727SS**  trans36.6113.5147.100000121.8A663G661-A663 PolarHBondContact O-N 2.89Å
662L30.8Very low35Very low182 Ų182120.6 Ų120.695%0.95369%0.693SS**  trans-62.393.2161.4-81.6165.5000112.1R664L662-R664 PolarHBondContact O-N 2.56Å
663A25Very low37.1Very low107 Ų107115.5 Ų115.588%0.88467%0.669SS**  trans-70.289.7-179.400000113.1G661G661-A663 PolarHBondContact O-N 2.89Å
664R26.5Very low39.2Very low235 Ų235107.7 Ų107.789%0.88763%0.628SS**  trans-81.9125.6-179.3-152.2177.1-173.9172.22.1112L662L662-R664 PolarHBondContact O-N 2.56Å
665M22.8Very low40.5Very low132 Ų132110.2 Ų110.265%0.6562%0.624SS**  trans94.7109.1146.6-143.3152.7179.100121.4
666R35.4Very low41.1Very low196 Ų196106.9 Ų106.974%0.7461%0.611SS**  trans47.3124.7139-63.8176.2178.1167.10.2121.1
667F31.9Very low41.7Very low149 Ų149105 Ų10565%0.65460%0.601SS**  -146.3161.4125.4-86-65.4000111.5S669F667-S669 PolarHBondContact O-N 3.19Å
668S38.1Very low42.1Very low59 Ų59105.5 Ų105.541%0.41360%0.599SS.*  trans-89.390.1179.5159.80000111F252F252-S668 WeakPolarHBondContact CE2-O 3.42Å
669S50.1Low43Very low56 Ų56106.3 Ų106.339%0.39258%0.582SS.*  trans-86.4143.9168.441.30000112.1F252 G315 S316 F667F252-S669 WeakPolarHBondContact O-CA 3.43Å; F252-S669 WeakPolarHBondContact O-CB 3.38Å; G315-S669 VanDerWaalsContact CA-O 3.31Å; G315-S669 WeakPolarHBondContact CA-O 3.25Å; S316-S669 PolarHBondContact N-O 2.87Å; F667-S669 PolarHBondContact O-N 3.19Å
670G57.1Low43.6Very low0 Ų0108.4 Ų108.40%058%0.578CS.*EExtended strand (participates in β ladder)trans-91.3150.2156.400000109.6S251 F252S251-G670 VanDerWaalsContact CA-O 3.25Å; S251-G670 WeakPolarHBondContact CA-O 3.47Å; S251-G670 WeakPolarHBondContact CB-O 3.44Å; F252-G670 VanDerWaalsContact CE1-CA 3.46Å; F252-G670 PolarHBondContact N-O 2.95Å
671S63.3Low44.3Very low71 Ų71112.1 Ų112.150%0.49758%0.578SS.*EExtended strand (participates in β ladder)trans-148.7113.8174.6166.50000108.4K249 L250K249-S671 WeakPolarHBondContact CE-OG 3.26Å; K249-S671 PolarHBondContact NZ-OG 3.02Å; L250-S671 WeakPolarHBondContact O-CA 3.23Å
672L71Confident45Very low35 Ų35115.6 Ų115.618%0.18358%0.575CS.*EExtended strand (participates in β ladder)trans-99.3122.8161.5-177.868.3000106.2K249 L250 W287 V291 L674K249-L672 WeakPolarHBondContact CA-O 3.33Å; K249-L672 WeakPolarHBondContact CG-O 3.29Å; L250-L672 HydrophobicContact CB-CB 4.33Å; L250-L672 PolarHBondContact N-O 2.96Å; L250-L672 PolarHBondContact O-N 3.36Å; W287-L672 HydrophobicContact CZ2-CB 4.44Å; V291-L672 HydrophobicContact CB-CD2 4.47Å; V291-L672 HydrophobicContact CG2-CB 4.05Å; V291-L672 HydrophobicContact CG2-CD1 4.34Å; V291-L672 HydrophobicContact CG2-CD2 3.92Å; V291-L672 HydrophobicContact CG2-CG 4.34Å; L672-L674 HydrophobicContact CD1-CD2 4.34Å; L672-L674 HydrophobicContact CD2-CD2 3.61Å; L672-L674 HydrophobicContact CD2-CG 4.46Å; L672-L674 HydrophobicContact CG-CD2 3.76Å
673Q72.8Confident45.4Very low68 Ų68112.8 Ų112.832%0.31856%0.557SS.*EExtended strand (participates in β ladder)trans-89.2139.1160.8-171.764.926.900105.9R248 D675R248-Q673 VanDerWaalsContact O-CD 3.26Å; R248-Q673 PolarHBondContact O-NE2 2.88Å; Q673-D675 WeakPolarHBondContact CG-OD1 3.27Å
674L73.6Confident45.9Very low10 Ų10109.3 Ų109.35%0.05253%0.532CS..  trans-104.2132.9161.8-56.5-172.9000106.1W244 I247 R248 H294 L672W244-L674 HydrophobicContact CE3-CD1 4.18Å; I247-L674 HydrophobicContact CB-CD1 4.18Å; I247-L674 HydrophobicContact CG2-CD1 4.15Å; I247-L674 WeakPolarHBondContact O-CB 3.42Å; I247-L674 WeakPolarHBondContact O-CD1 3.15Å; R248-L674 PolarHBondContact O-N 3.42Å; R248-L674 VanDerWaalsContact O-N 3.13Å; H294-L674 VanDerWaalsContact CD2-CD1 3.44Å; H294-L674 WeakPolarHBondContact CD2-CD1 3.46Å; H294-L674 WeakPolarHBondContact NE2-CD2 3.35Å; L672-L674 HydrophobicContact CD1-CD2 4.34Å; L672-L674 HydrophobicContact CD2-CD2 3.61Å; L672-L674 HydrophobicContact CD2-CG 4.46Å; L672-L674 HydrophobicContact CG-CD2 3.76Å
675D55.6Low46.5Very low129 Ų129102.2 Ų102.269%0.6952%0.515SS*.  trans-98.7154.6178.2-58.7-42000107.9Q673 E677Q673-D675 WeakPolarHBondContact CG-OD1 3.27Å; D675-E677 PolarHBondContact O-N 3.01Å; D675-E677 VanDerWaalsContact O-N 3.16Å
676E44.9Very low47.3Very low135 Ų13598.9 Ų98.963%0.63151%0.508SS*.  trans-80.694.6-179.5-72.5153.6-140.200108R248 H262R248-E676 IonicContact NH1-OE1 2.81Å; R248-E676 PolarHBondContact NH1-OE1 3.17Å; H262-E676 IonicContact CE1-OE1 3.79Å; H262-E676 PolarHBondContact CE1-OE1 2.93Å; H262-E676 IonicContact CG-OE1 2.93Å; H262-E676 IonicContact ND1-OE1 3.15Å; H262-E676 PolarHBondContact ND1-OE1 3.19Å
677E41.6Very low47.5Very low126 Ų12695.2 Ų95.259%0.58950%0.497SS*.  trans-86.4130162.3-69.9-177.5-154.600108.1D675 E679D675-E677 PolarHBondContact O-N 3.01Å; D675-E677 VanDerWaalsContact O-N 3.16Å; E677-E679 PolarHBondContact O-N 3.22Å
678D36.7Very low47.8Very low148 Ų14895.6 Ų95.679%0.79150%0.499SS*.  trans-73.781.8-168.7-62.9-60.4000113.2E680D678-E680 PolarHBondContact O-N 3.07Å
679E46.2Very low47.9Very low92 Ų9298.9 Ų98.943%0.4351%0.508SS..  trans-72.235.3176.2-58.8-164.4152.700114.4K298 E677 E681K298-E679 WeakPolarHBondContact CD-OE1 3.45Å; K298-E679 VanDerWaalsContact CE-OE1 3.26Å; K298-E679 WeakPolarHBondContact CE-OE1 3.33Å; K298-E679 IonicContact NZ-OE1 3.33Å; K298-E679 PolarHBondContact NZ-OE1 3.28Å; K298-E679 IonicContact NZ-OE2 3.21Å; K298-E679 PolarHBondContact NZ-OE2 3.26Å; E677-E679 PolarHBondContact O-N 3.22Å; E679-E681 VanDerWaalsContact C-N 3.3Å; E679-E681 PolarHBondContact O-N 3.41Å
680E39.4Very low47.5Very low175 Ų17599.1 Ų99.182%0.81851%0.509SS*.THydrogen-bonded Turntrans-67.8-23.6-176-68.9-148.2130.800114D678D678-E680 PolarHBondContact O-N 3.07Å
681E41.8Very low46.7Very low178 Ų178106 Ų10683%0.83254%0.539SS*.THydrogen-bonded Turntrans-84.3-29.8-174.2-61.9-160.9139.800114.7E679E679-E681 VanDerWaalsContact C-N 3.3Å; E679-E681 PolarHBondContact O-N 3.41Å
682E40Very low45.5Very low144 Ų144105.1 Ų105.167%0.67354%0.536SS*.THydrogen-bonded Turntrans-81.4-38.6-172.8-128.7-173-161.900113.4G684 V685 A686E682-G684 PolarHBondContact O-N 2.74Å; E682-V685 PolarHBondContact O-N 2.95Å; E682-V685 VanDerWaalsContact O-N 3.08Å; E682-A686 PolarHBondContact O-N 2.99Å
683E40.4Very low44Very low123 Ų123110 Ų11058%0.57556%0.557SS**Hα-helixtrans-61.3-27.7175.6-91.5-147.1167.400112.3V685 K687E683-V685 VanDerWaalsContact C-N 3.28Å; E683-V685 PolarHBondContact O-N 3.28Å; E683-K687 WeakPolarHBondContact O-CB 3.31Å; E683-K687 WeakPolarHBondContact O-CG 3.41Å; E683-K687 PolarHBondContact O-N 2.96Å; E683-K687 WeakPolarHBondContact OE2-CE 3.43Å; E683-K687 IonicContact OE2-NZ 2.56Å; E683-K687 PolarHBondContact OE2-NZ 2.91Å
684G34.4Very low42.4Very low35 Ų35112.9 Ų112.936%0.36157%0.571SS.*Hα-helixtrans-67.1-24.5176.800000114.1E682 K688E682-G684 PolarHBondContact O-N 2.74Å; G684-K688 WeakPolarHBondContact O-CD 3.31Å; G684-K688 VanDerWaalsContact O-CG 3.31Å; G684-K688 WeakPolarHBondContact O-CG 3.38Å
685V39.7Very low40.5Very low86 Ų86115 Ų11552%0.52159%0.59SS.*Hα-helixtrans-87-49.5177.4-176.90000110.5E682 E683 K687 K688 E689E682-V685 PolarHBondContact O-N 2.95Å; E682-V685 VanDerWaalsContact O-N 3.08Å; E683-V685 VanDerWaalsContact C-N 3.28Å; E683-V685 PolarHBondContact O-N 3.28Å; V685-K687 VanDerWaalsContact C-N 3.3Å; V685-K687 PolarHBondContact O-N 3.42Å; V685-K688 WeakPolarHBondContact O-CA 3.42Å; V685-K688 WeakPolarHBondContact O-CB 3.43Å; V685-K688 PolarHBondContact O-N 3.06Å; V685-E689 PolarHBondContact O-N 3.46Å
686A39.5Very low39.4Very low62 Ų62116.3 Ų116.351%0.51259%0.59SS.*Hα-helixtrans-59.2-39.2-179.600000112.8E682 K688 E689 S690E682-A686 PolarHBondContact O-N 2.99Å; A686-K688 VanDerWaalsContact C-N 3.28Å; A686-K688 PolarHBondContact O-N 3.43Å; A686-E689 PolarHBondContact O-N 2.9Å; A686-S690 PolarHBondContact O-N 2.93Å
687K39.9Very low38.9Very low119 Ų119117.6 Ų117.652%0.51759%0.594SS.*Hα-helixtrans-71.7-17.4174.4-73.8169.3175164.20114E683 V685 K691E683-K687 WeakPolarHBondContact O-CB 3.31Å; E683-K687 WeakPolarHBondContact O-CG 3.41Å; E683-K687 PolarHBondContact O-N 2.96Å; E683-K687 WeakPolarHBondContact OE2-CE 3.43Å; E683-K687 IonicContact OE2-NZ 2.56Å; E683-K687 PolarHBondContact OE2-NZ 2.91Å; V685-K687 VanDerWaalsContact C-N 3.3Å; V685-K687 PolarHBondContact O-N 3.42Å; K687-K691 WeakPolarHBondContact O-CG 3.06Å
688K37.9Very low38.5Very low157 Ų157120.3 Ų120.368%0.68360%0.604SS**Hα-helixtrans-84-42.9171.2-79.8175-178.1170.50111.1G684 V685 A686 K691 A692G684-K688 WeakPolarHBondContact O-CD 3.31Å; G684-K688 VanDerWaalsContact O-CG 3.31Å; G684-K688 WeakPolarHBondContact O-CG 3.38Å; V685-K688 WeakPolarHBondContact O-CA 3.42Å; V685-K688 WeakPolarHBondContact O-CB 3.43Å; V685-K688 PolarHBondContact O-N 3.06Å; A686-K688 VanDerWaalsContact C-N 3.28Å; A686-K688 PolarHBondContact O-N 3.43Å; K688-K691 PolarHBondContact O-N 3.39Å; K688-A692 VanDerWaalsContact O-CB 3.28Å; K688-A692 WeakPolarHBondContact O-CB 3.28Å; K688-A692 PolarHBondContact O-N 2.91Å
689E39.9Very low38.5Very low128 Ų128119.1 Ų119.160%0.59860%0.602SS**Hα-helixtrans-64-43.6175.9-82-166.5123.300112.5V685 A686 K691 A692 Q693V685-E689 PolarHBondContact O-N 3.46Å; A686-E689 PolarHBondContact O-N 2.9Å; E689-K691 VanDerWaalsContact C-N 3.31Å; E689-K691 PolarHBondContact O-N 3.38Å; E689-A692 PolarHBondContact O-N 3.16Å; E689-A692 VanDerWaalsContact O-N 3.16Å; E689-Q693 PolarHBondContact O-N 3.38Å
690S42Very low38.2Very low60 Ų60120.1 Ų120.142%0.4261%0.614SS.*Hα-helixtrans-60.8-42.617876.90000111.7A686 Q693 E694A686-S690 PolarHBondContact O-N 2.93Å; S690-Q693 PolarHBondContact O-N 3.43Å; S690-E694 PolarHBondContact O-N 3Å
691K40.6Very low37.9Very low146 Ų146119.7 Ų119.764%0.63563%0.628SS**Hα-helixtrans-70.7-31175.6-76.1-172.8171.5-171.90113.3K687 K688 E689 A695K687-K691 WeakPolarHBondContact O-CG 3.06Å; K688-K691 PolarHBondContact O-N 3.39Å; E689-K691 VanDerWaalsContact C-N 3.31Å; E689-K691 PolarHBondContact O-N 3.38Å; K691-A695 WeakPolarHBondContact O-CB 3.48Å; K691-A695 PolarHBondContact O-N 3.48Å
692A37.3Very low37.7Very low51 Ų51116.8 Ų116.842%0.42162%0.618SS.*Hα-helixtrans-68.1-37.3173.800000111.4K688 E689 A695 F696K688-A692 VanDerWaalsContact O-CB 3.28Å; K688-A692 WeakPolarHBondContact O-CB 3.28Å; K688-A692 PolarHBondContact O-N 2.91Å; E689-A692 PolarHBondContact O-N 3.16Å; E689-A692 VanDerWaalsContact O-N 3.16Å; A692-A695 PolarHBondContact O-N 2.83Å; A692-F696 WeakPolarHBondContact O-CB 3.18Å; A692-F696 PolarHBondContact O-N 2.88Å
693Q39.4Very low37.6Very low137 Ų137115.4 Ų115.464%0.6462%0.615SS**Hα-helixtrans-72.1-40174.9-72.6-178.3-10.900112.5E689 S690 F696 F697E689-Q693 PolarHBondContact O-N 3.38Å; S690-Q693 PolarHBondContact O-N 3.43Å; Q693-F696 PolarHBondContact O-N 3.33Å; Q693-F697 PolarHBondContact O-N 3.14Å; Q693-F697 VanDerWaalsContact O-N 3.14Å
694E39Very low37.4Very low130 Ų130114.9 Ų114.961%0.60762%0.618SS**Hα-helixtrans-61.6-42169.5-74.6-175.2123.800111.9S690 F697 F698S690-E694 PolarHBondContact O-N 3Å; E694-F697 PolarHBondContact O-N 3.25Å; E694-F698 PolarHBondContact O-N 3.29Å
695A34.7Very low37.6Very low54 Ų54119.6 Ų119.645%0.44663%0.633SS.*Hα-helixtrans-65.8-40.5177.800000112.6K691 A692 F697 F698 V699K691-A695 WeakPolarHBondContact O-CB 3.48Å; K691-A695 PolarHBondContact O-N 3.48Å; A692-A695 PolarHBondContact O-N 2.83Å; A695-F697 VanDerWaalsContact C-N 3.29Å; A695-F697 PolarHBondContact O-N 3.32Å; A695-F698 PolarHBondContact O-N 3.36Å; A695-F698 VanDerWaalsContact O-N 3.12Å; A695-V699 WeakPolarHBondContact O-CG2 3.43Å; A695-V699 PolarHBondContact O-N 3.46Å
696F33Very low37.5Very low156 Ų156121.8 Ų121.868%0.68464%0.64SS**Hα-helixtrans-62.4-36.8174.4-111-90.5000112.1A692 Q693 F698 V699A692-F696 WeakPolarHBondContact O-CB 3.18Å; A692-F696 PolarHBondContact O-N 2.88Å; Q693-F696 PolarHBondContact O-N 3.33Å; F696-F698 PolarHBondContact O-N 3.12Å; F696-V699 PolarHBondContact O-N 3.42Å
697F32.7Very low37.4Very low162 Ų162125.7 Ų125.771%0.71165%0.648SS**Hα-helixtrans-68.2-21.1175.3-117.8-85.2000113.8Q693 E694 A695Q693-F697 PolarHBondContact O-N 3.14Å; Q693-F697 VanDerWaalsContact O-N 3.14Å; E694-F697 PolarHBondContact O-N 3.25Å; A695-F697 VanDerWaalsContact C-N 3.29Å; A695-F697 PolarHBondContact O-N 3.32Å
698F34.6Very low37.2Very low183 Ų183126.2 Ų126.280%0.80366%0.658SS**THydrogen-bonded Turntrans-93.2-2176.5-99.1-83.6000114.8E694 A695 F696E694-F698 PolarHBondContact O-N 3.29Å; A695-F698 PolarHBondContact O-N 3.36Å; A695-F698 VanDerWaalsContact O-N 3.12Å; F696-F698 PolarHBondContact O-N 3.12Å
699V36.3Very low37.1Very low123 Ų123123.8 Ų123.875%0.74566%0.656SS**THydrogen-bonded Turntrans-112.1-6179.9175.60000112.2A695 F696A695-V699 WeakPolarHBondContact O-CG2 3.43Å; A695-V699 PolarHBondContact O-N 3.46Å; F696-V699 PolarHBondContact O-N 3.42Å
700V39.2Very low36.9Very low113 Ų113123.5 Ų123.569%0.68566%0.66SS**  trans-13045.1-179.5-160.20000111.2
701C33.8Very low36.4Very low167 Ų167129.3 Ų129.3100%1.12868%0.682SS**  trans-141.60173.1-77.40000109.8

Retrieved 701 of 701 residues in 970.7 ms (Link to these results)

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