A0A3Q0KDH1_SCHMA Loading...

Pre-mRNA-splicing factor RBM22

AlphaFold DB , UniProt , Accession A0A3Q0KDH1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 495 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
1M91Very high93Very high165 Ų16589.9 Ų89.981%0.81341%0.413SS*.  0131.90-172.1176.1-137.500108.7F19 R20M1-F19 WeakPolarHBondContact O-CA 3.35Å; M1-R20 HydrophobicContact CB-CB 4.44Å; M1-R20 PolarHBondContact N-O 3.3Å; M1-R20 PolarHBondContact O-N 3.09Å
2K95Very high92.6Very high136 Ų13682.8 Ų82.859%0.59138%0.381SS*.EExtended strand (participates in β ladder)trans-113.2121.7177.5178.7-177.9-178.3177.70108.1T17 F19K2-T17 HydrophobicContact CD-CG2 4.33Å; K2-T17 HydrophobicContact CG-CG2 3.71Å; K2-F19 HydrophobicContact CB-CD1 4.21Å; K2-F19 HydrophobicContact CB-CE1 4.11Å; K2-F19 HydrophobicContact CD-CE1 3.94Å; K2-F19 HydrophobicContact CD-CZ 4.4Å; K2-F19 HydrophobicContact CG-CD1 4.24Å; K2-F19 HydrophobicContact CG-CE1 3.75Å; K2-F19 HydrophobicContact CG-CZ 4.32Å
3E94.4Very high92.5Very high97 Ų9780.7 Ų80.745%0.45338%0.375SS..EExtended strand (participates in β ladder)trans-118.2113.3179.2-171.6179.9176.600108.2Y5 T17 V18E3-Y5 PolarHBondContact O-N 3.05Å; E3-T17 CarbonylContact O-C 3.57Å; E3-T17 WeakPolarHBondContact O-CA 3.36Å; E3-V18 PolarHBondContact N-O 3.37Å; E3-V18 PolarHBondContact O-N 2.78Å
4K93.8Very high92.3Very high160 Ų16078.8 Ų78.870%0.69636%0.363SS*.EExtended strand (participates in β ladder)trans-71.8124.5179.7-64.2-176.5-178-179.40108.3G6K4-G6 VanDerWaalsContact C-N 3.26Å; K4-G6 PolarHBondContact O-N 3.1Å
5Y92.6Very high92.5Very high169 Ų16979.1 Ų79.166%0.66338%0.375SS*.EExtended strand (participates in β ladder)trans5631.6178.6-52-74.2000115.2E3 K7 P15 F16E3-Y5 PolarHBondContact O-N 3.05Å; Y5-K7 PolarHBondContact O-N 3.17Å; Y5-P15 HydrophobicContact CD1-CB 4.11Å; Y5-P15 HydrophobicContact CD1-CG 4.38Å; Y5-F16 CarbonylContact C-O 3.58Å; Y5-F16 VanDerWaalsContact CA-O 3.25Å; Y5-F16 WeakPolarHBondContact CA-O 3.15Å; Y5-F16 PolarHBondContact N-O 3.01Å
6G91.4Very high92.6Very high27 Ų2775.2 Ų75.228%0.27836%0.356SS..EExtended strand (participates in β ladder)trans-72.3-25.6-173.700000115.5K4 F16K4-G6 VanDerWaalsContact C-N 3.26Å; K4-G6 PolarHBondContact O-N 3.1Å; G6-F16 PolarHBondContact N-O 3.14Å
7K93.8Very high92.7Very high89 Ų8973.4 Ų73.439%0.38735%0.351SS..EExtended strand (participates in β ladder)trans-145.2154.5178.9-61.7-173.3-175.8-157.50111.3Y5 F16 V18 K31Y5-K7 PolarHBondContact O-N 3.17Å; K7-F16 HydrophobicContact CB-CE1 4.44Å; K7-F16 WeakPolarHBondContact O-CD1 3.32Å; K7-F16 PolarHBondContact O-N 2.9Å; K7-V18 HydrophobicContact CB-CG2 3.66Å; K7-V18 HydrophobicContact CD-CG2 4.46Å; K7-V18 HydrophobicContact CG-CG2 3.9Å; K7-K31 HydrophobicContact CD-CD 4.37Å
8E94.4Very high92.9Very high96 Ų9669.5 Ų69.545%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-71.3144.6164.865.7-176-170.900111.3K10 R14 F16E8-K10 IonicContact OE1-NZ 2.66Å; E8-K10 PolarHBondContact OE1-NZ 3.32Å; E8-R14 CarbonylContact C-O 3.56Å; E8-R14 WeakPolarHBondContact CA-O 3.23Å; E8-F16 WeakPolarHBondContact O-CE1 3.35Å
9C93.8Very high93.1Very high0 Ų070.3 Ų70.30%034%0.335CS..  trans-69132.1172.3177.10000110I11 C12 D13 R14 F16 C35C9-I11 PolarHBondContact O-N 2.7Å; C9-C12 WeakPolarHBondContact CB-SG 3.44Å; C9-C12 PolarHBondContact SG-SG 3.46Å; C9-D13 WeakPolarHBondContact O-CA 3.44Å; C9-D13 PolarHBondContact O-N 3.09Å; C9-R14 WeakPolarHBondContact CB-O 3.5Å; C9-R14 PolarHBondContact N-O 2.77Å; C9-F16 HydrophobicContact CB-CD1 3.94Å; C9-F16 HydrophobicContact CB-CE1 4.23Å; C9-C35 HydrophobicContact CB-CB 4.04Å; C9-C35 PolarHBondContact SG-N 3.07Å
10K91.8Very high93.3Very high50 Ų5072.8 Ų72.822%0.21734%0.34CS..THydrogen-bonded Turntrans-70.2-4.3-178.4-61-61.5170.5-167.10115.7E8 E33 L178 R179E8-K10 IonicContact OE1-NZ 2.66Å; E8-K10 PolarHBondContact OE1-NZ 3.32Å; K10-E33 PolarHBondContact N-O 3.4Å; K10-L178 HydrophobicContact CB-CD2 4.12Å; K10-L178 HydrophobicContact CG-CD2 4.17Å; K10-R179 PolarHBondContact O-NE 3.23Å
11I91Very high93.4Very high0 Ų074 Ų740%034%0.342CS..THydrogen-bonded Turntrans-109-52.3179.7-56-54.8000112C9 V34 R78 R179 Y182C9-I11 PolarHBondContact O-N 2.7Å; I11-V34 HydrophobicContact CG1-CG1 3.65Å; I11-R78 WeakPolarHBondContact O-CD 3.36Å; I11-R78 PolarHBondContact O-NH1 3Å; I11-R179 HydrophobicContact CD1-CG 4.22Å; I11-Y182 HydrophobicContact CB-CD1 4.43Å; I11-Y182 HydrophobicContact CB-CE1 4.47Å; I11-Y182 VanDerWaalsContact CD1-CB 3.46Å; I11-Y182 HydrophobicContact CD1-CD1 3.82Å; I11-Y182 HydrophobicContact CD1-CD2 4.2Å; I11-Y182 HydrophobicContact CD1-CG 3.55Å; I11-Y182 HydrophobicContact CG1-CD1 3.94Å; I11-Y182 HydrophobicContact CG1-CD2 3.94Å; I11-Y182 HydrophobicContact CG1-CE1 4.33Å; I11-Y182 HydrophobicContact CG1-CE2 4.31Å; I11-Y182 HydrophobicContact CG1-CG 3.73Å; I11-Y182 HydrophobicContact CG2-CD1 3.62Å; I11-Y182 HydrophobicContact CG2-CE1 3.45Å; I11-Y182 VanDerWaalsContact CG2-CE1 3.45Å; I11-Y182 HydrophobicContact CG2-CG 4.3Å
12C88.8Confident93.6Very high4 Ų469 Ų693%0.02732%0.322CS..THydrogen-bonded Turntrans-100.5-2.3-178.263.50000113.9C9 R14 C35 H82C9-C12 WeakPolarHBondContact CB-SG 3.44Å; C9-C12 PolarHBondContact SG-SG 3.46Å; C12-R14 PolarHBondContact O-N 3.38Å; C12-C35 VanDerWaalsContact SG-SG 3.64Å; C12-H82 VanDerWaalsContact CB-CD2 3.48Å; C12-H82 WeakPolarHBondContact CB-CD2 3.34Å
13D91.2Very high93.5Very high56 Ų5665 Ų6530%0.29931%0.31SS..  trans58.36.5-179-49.9-35.7000114.5C9 R78 R179C9-D13 WeakPolarHBondContact O-CA 3.44Å; C9-D13 PolarHBondContact O-N 3.09Å; D13-R78 IonicContact OD1-NH1 3.81Å; D13-R78 IonicContact OD2-CZ 3Å; D13-R78 VanDerWaalsContact OD2-CZ 3.23Å; D13-R78 IonicContact OD2-NH1 3.43Å; D13-R78 PolarHBondContact OD2-NH1 3.42Å; D13-R78 IonicContact OD2-NH2 3.91Å; D13-R78 PolarHBondContact OD2-NH2 3.18Å; D13-R179 IonicContact OD1-NH2 2.74Å; D13-R179 PolarHBondContact OD1-NH2 3.1Å; D13-R179 IonicContact OD2-NH2 2.75Å; D13-R179 PolarHBondContact OD2-NH2 2.89Å
14R89.9Confident93.3Very high54 Ų5461.6 Ų61.620%0.20430%0.301CS..  trans-77.9142174.3-68.9175.8148.1-158.6-11.4112.5E8 C9 C12 E79 E86E8-R14 CarbonylContact C-O 3.56Å; E8-R14 WeakPolarHBondContact CA-O 3.23Å; C9-R14 WeakPolarHBondContact CB-O 3.5Å; C9-R14 PolarHBondContact N-O 2.77Å; C12-R14 PolarHBondContact O-N 3.38Å; R14-E79 IonicContact CZ-OE1 3.04Å; R14-E79 VanDerWaalsContact NE-CD 3.33Å; R14-E79 IonicContact NE-OE1 2.83Å; R14-E79 PolarHBondContact NE-OE1 2.76Å; R14-E79 IonicContact NE-OE2 3.81Å; R14-E79 PolarHBondContact NE-OE2 3.31Å; R14-E79 IonicContact NH2-OE1 3.23Å; R14-E79 PolarHBondContact NH2-OE1 3.07Å; R14-E86 IonicContact CZ-OE2 2.7Å; R14-E86 IonicContact NH1-OE2 3.26Å; R14-E86 PolarHBondContact NH1-OE2 3.37Å
15P94.3Very high93.2Very high84 Ų8460.8 Ų60.855%0.54531%0.313SS..EExtended strand (participates in β ladder)trans-66.9136.3175.529.3-34.9000110.8Y5Y5-P15 HydrophobicContact CD1-CB 4.11Å; Y5-P15 HydrophobicContact CD1-CG 4.38Å
16F94.4Very high92.9Very high16 Ų1661.9 Ų61.97%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-139.1166.2-179.576.2-75.1000112.4Y5 G6 K7 E8 C9 V18 T32 V34 C35Y5-F16 CarbonylContact C-O 3.58Å; Y5-F16 VanDerWaalsContact CA-O 3.25Å; Y5-F16 WeakPolarHBondContact CA-O 3.15Å; Y5-F16 PolarHBondContact N-O 3.01Å; G6-F16 PolarHBondContact N-O 3.14Å; K7-F16 HydrophobicContact CB-CE1 4.44Å; K7-F16 WeakPolarHBondContact O-CD1 3.32Å; K7-F16 PolarHBondContact O-N 2.9Å; E8-F16 WeakPolarHBondContact O-CE1 3.35Å; C9-F16 HydrophobicContact CB-CD1 3.94Å; C9-F16 HydrophobicContact CB-CE1 4.23Å; F16-V18 HydrophobicContact CE1-CG2 4.38Å; F16-V18 HydrophobicContact CE2-CG2 4.32Å; F16-V18 HydrophobicContact CZ-CG2 4.12Å; F16-V18 PolarHBondContact O-N 2.88Å; F16-T32 WeakPolarHBondContact CE2-OG1 3.46Å; F16-T32 WeakPolarHBondContact CZ-O 3.48Å; F16-V34 VanDerWaalsContact CE2-O 3.26Å; F16-V34 WeakPolarHBondContact CE2-O 3.3Å; F16-C35 HydrophobicContact CB-CB 3.65Å; F16-C35 HydrophobicContact CD1-CB 4.38Å; F16-C35 HydrophobicContact CD2-CB 4.2Å; F16-C35 HydrophobicContact CG-CB 3.83Å
17T95.3Very high93Very high44 Ų4461.6 Ų61.627%0.2732%0.316SS..EExtended strand (participates in β ladder)trans-71.4119.6176.3-63.30000110.1K2 E3 F19K2-T17 HydrophobicContact CD-CG2 4.33Å; K2-T17 HydrophobicContact CG-CG2 3.71Å; E3-T17 CarbonylContact O-C 3.57Å; E3-T17 WeakPolarHBondContact O-CA 3.36Å; T17-F19 HydrophobicContact CG2-CD2 4.45Å; T17-F19 HydrophobicContact CG2-CE1 4.42Å; T17-F19 HydrophobicContact CG2-CE2 3.82Å; T17-F19 HydrophobicContact CG2-CZ 3.81Å
18V96.5Very high92.9Very high4 Ų460.7 Ų60.72%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-93.9128.8179.8-178.40000109.8E3 K7 F16 K31 T32E3-V18 PolarHBondContact N-O 3.37Å; E3-V18 PolarHBondContact O-N 2.78Å; K7-V18 HydrophobicContact CB-CG2 3.66Å; K7-V18 HydrophobicContact CD-CG2 4.46Å; K7-V18 HydrophobicContact CG-CG2 3.9Å; F16-V18 HydrophobicContact CE1-CG2 4.38Å; F16-V18 HydrophobicContact CE2-CG2 4.32Å; F16-V18 HydrophobicContact CZ-CG2 4.12Å; F16-V18 PolarHBondContact O-N 2.88Å; V18-K31 HydrophobicContact CG1-CB 4.18Å; V18-T32 WeakPolarHBondContact CA-OG1 3.18Å
19F96.5Very high92.8Very high85 Ų8561 Ų6137%0.37331%0.31SS..EExtended strand (participates in β ladder)trans-104.1131169.8-60.9-89.3000109.1M1 K2 T17 W21 K31 T32M1-F19 WeakPolarHBondContact O-CA 3.35Å; K2-F19 HydrophobicContact CB-CD1 4.21Å; K2-F19 HydrophobicContact CB-CE1 4.11Å; K2-F19 HydrophobicContact CD-CE1 3.94Å; K2-F19 HydrophobicContact CD-CZ 4.4Å; K2-F19 HydrophobicContact CG-CD1 4.24Å; K2-F19 HydrophobicContact CG-CE1 3.75Å; K2-F19 HydrophobicContact CG-CZ 4.32Å; T17-F19 HydrophobicContact CG2-CD2 4.45Å; T17-F19 HydrophobicContact CG2-CE1 4.42Å; T17-F19 HydrophobicContact CG2-CE2 3.82Å; T17-F19 HydrophobicContact CG2-CZ 3.81Å; F19-W21 HydrophobicContact CB-CE3 4.34Å; F19-W21 HydrophobicContact CB-CZ3 4.22Å; F19-W21 VanDerWaalsContact O-CZ3 3.29Å; F19-W21 WeakPolarHBondContact O-CZ3 3.32Å; F19-K31 CarbonylContact O-C 3.48Å; F19-K31 WeakPolarHBondContact O-CA 3.4Å; F19-T32 HydrophobicContact CB-CG2 4.05Å; F19-T32 HydrophobicContact CD2-CG2 4.14Å; F19-T32 PolarHBondContact N-OG1 2.87Å; F19-T32 PolarHBondContact O-N 3.15Å
20R95.9Very high92.9Very high119 Ų11962.3 Ų62.345%0.44932%0.316SS..EExtended strand (participates in β ladder)trans-122.6130.3175.8-175.1176.6174.8-114-1.2110.6M1 F29 K30M1-R20 HydrophobicContact CB-CB 4.44Å; M1-R20 PolarHBondContact N-O 3.3Å; M1-R20 PolarHBondContact O-N 3.09Å; R20-F29 HydrophobicContact CG-CB 4.45Å; R20-F29 HydrophobicContact CG-CD1 4.45Å; R20-F29 VanDerWaalsContact NH2-CG 3.35Å; R20-K30 WeakPolarHBondContact CA-O 3.36Å
21W95.9Very high93Very high99 Ų9962 Ų6238%0.37532%0.315SS..EExtended strand (participates in β ladder)trans-147159.2-176.768.8101.7000112.4F19 F29 K30 T32 T47F19-W21 HydrophobicContact CB-CE3 4.34Å; F19-W21 HydrophobicContact CB-CZ3 4.22Å; F19-W21 VanDerWaalsContact O-CZ3 3.29Å; F19-W21 WeakPolarHBondContact O-CZ3 3.32Å; W21-F29 CarbonylContact O-C 3.59Å; W21-F29 WeakPolarHBondContact O-CA 3.22Å; W21-K30 HydrophobicContact CD2-CB 4.28Å; W21-K30 HydrophobicContact CZ2-CB 3.99Å; W21-K30 PolarHBondContact N-O 3Å; W21-K30 PolarHBondContact O-N 3.04Å; W21-T32 HydrophobicContact CH2-CG2 4.3Å; W21-T32 HydrophobicContact CZ3-CG2 3.98Å; W21-T47 WeakPolarHBondContact CH2-OG1 3.34Å
22C94.2Very high93.2Very high59 Ų5962.1 Ų62.140%0.39932%0.315SS..  trans-104.9115.4171.8-167.90000109.2G24 F29C22-G24 VanDerWaalsContact C-N 3.29Å; C22-G24 PolarHBondContact O-N 3.17Å; C22-G24 PolarHBondContact SG-O 3.47Å; C22-F29 HydrophobicContact CB-CD1 3.94Å; C22-F29 HydrophobicContact CB-CE1 3.73Å; C22-F29 HydrophobicContact CB-CZ 4.19Å
23P92.9Very high93.5Very high52 Ų5263.3 Ų63.334%0.33832%0.32SS..  trans-69.4-19.6-177.8-21.632.8000115.4A27 R28 K30 N140P23-A27 HydrophobicContact CB-CB 4.18Å; P23-A27 HydrophobicContact CG-CB 4.3Å; P23-R28 VanDerWaalsContact CD-O 3.26Å; P23-R28 WeakPolarHBondContact CD-O 3.38Å; P23-K30 HydrophobicContact CG-CB 4.4Å; P23-K30 HydrophobicContact CG-CD 3.49Å; P23-K30 VanDerWaalsContact CG-CD 3.49Å; P23-K30 HydrophobicContact CG-CG 3.85Å; P23-N140 HydrophobicContact CB-CB 4.41Å; P23-N140 HydrophobicContact CG-CB 4.33Å
24G92Very high93.6Very high26 Ų2660.7 Ų60.727%0.26831%0.306SS..SBendtrans179.5171.1-17500000112C22 K26 A27C22-G24 VanDerWaalsContact C-N 3.29Å; C22-G24 PolarHBondContact O-N 3.17Å; C22-G24 PolarHBondContact SG-O 3.47Å; G24-K26 PolarHBondContact O-N 3.03Å; G24-A27 WeakPolarHBondContact O-CB 3.24Å; G24-A27 PolarHBondContact O-N 2.87Å; G24-A27 VanDerWaalsContact O-N 3.1Å
25P89.8Confident93.8Very high143 Ų14358.6 Ų58.693%0.92930%0.3SS*.THydrogen-bonded Turntrans-64.8-33.4-167.823.2-33.9000114.3
26K87.8Confident93.5Very high193 Ų19359.9 Ų59.984%0.83930%0.298SS*.THydrogen-bonded Turntrans-103.619.2177.2-63.6-175.3176.3-179.40112.9G24 P142G24-K26 PolarHBondContact O-N 3.03Å; K26-P142 WeakPolarHBondContact O-CD 3.36Å
27A92Very high93.2Very high21 Ų2160 Ų6017%0.17430%0.301CS..SBendtrans-99.7153.4-175.800000112P23 G24 N140P23-A27 HydrophobicContact CB-CB 4.18Å; P23-A27 HydrophobicContact CG-CB 4.3Å; G24-A27 WeakPolarHBondContact O-CB 3.24Å; G24-A27 PolarHBondContact O-N 2.87Å; G24-A27 VanDerWaalsContact O-N 3.1Å; A27-N140 CarbonylContact C-O 3.58Å; A27-N140 WeakPolarHBondContact CA-O 3.33Å; A27-N140 HydrophobicContact CB-CB 4.13Å; A27-N140 WeakPolarHBondContact CB-O 3.4Å
28R92.2Very high93Very high69 Ų6957.9 Ų57.926%0.2629%0.289SS..PPolyproline II helixtrans-69.8144.8167.6-173.8-174.2139.2-154.7-3.8109.8P23 K30 N140 H143P23-R28 VanDerWaalsContact CD-O 3.26Å; P23-R28 WeakPolarHBondContact CD-O 3.38Å; R28-K30 PolarHBondContact O-N 3.13Å; R28-K30 VanDerWaalsContact O-N 3.14Å; R28-N140 PolarHBondContact N-O 3.03Å; R28-H143 VanDerWaalsContact CZ-NE2 3.29Å; R28-H143 PolarHBondContact NH1-CE1 3.33Å; R28-H143 VanDerWaalsContact NH1-CE1 3.27Å; R28-H143 PolarHBondContact NH1-NE2 3.47Å
29F93.3Very high92.7Very high103 Ų10358.1 Ų58.145%0.45229%0.291SS..PPolyproline II helixtrans-58.1117.8162.6-75.1-87.1000111.1R20 W21 C22R20-F29 HydrophobicContact CG-CB 4.45Å; R20-F29 HydrophobicContact CG-CD1 4.45Å; R20-F29 VanDerWaalsContact NH2-CG 3.35Å; W21-F29 CarbonylContact O-C 3.59Å; W21-F29 WeakPolarHBondContact O-CA 3.22Å; C22-F29 HydrophobicContact CB-CD1 3.94Å; C22-F29 HydrophobicContact CB-CE1 3.73Å; C22-F29 HydrophobicContact CB-CZ 4.19Å
30K94.4Very high92.2Very high27 Ų2756 Ų5612%0.11728%0.282CS..EExtended strand (participates in β ladder)trans-92.4152.9174-66.5-177.474.4175.30109.7R20 W21 P23 R28 N140R20-K30 WeakPolarHBondContact CA-O 3.36Å; W21-K30 HydrophobicContact CD2-CB 4.28Å; W21-K30 HydrophobicContact CZ2-CB 3.99Å; W21-K30 PolarHBondContact N-O 3Å; W21-K30 PolarHBondContact O-N 3.04Å; P23-K30 HydrophobicContact CG-CB 4.4Å; P23-K30 HydrophobicContact CG-CD 3.49Å; P23-K30 VanDerWaalsContact CG-CD 3.49Å; P23-K30 HydrophobicContact CG-CG 3.85Å; R28-K30 PolarHBondContact O-N 3.13Å; R28-K30 VanDerWaalsContact O-N 3.14Å; K30-N140 VanDerWaalsContact CD-OD1 3.3Å; K30-N140 WeakPolarHBondContact CD-OD1 3.25Å; K30-N140 PolarHBondContact NZ-OD1 3.3Å
31K94.7Very high91.7Very high45 Ų4550.4 Ų50.420%0.19626%0.261CS..EExtended strand (participates in β ladder)trans-136159174.868.6-173.9-174.4-177.40109.7K7 V18 F19 E33 T47K7-K31 HydrophobicContact CD-CD 4.37Å; V18-K31 HydrophobicContact CG1-CB 4.18Å; F19-K31 CarbonylContact O-C 3.48Å; F19-K31 WeakPolarHBondContact O-CA 3.4Å; K31-E33 WeakPolarHBondContact CE-OE1 3.36Å; K31-E33 WeakPolarHBondContact CE-OE2 3.28Å; K31-E33 VanDerWaalsContact CG-OE1 3.29Å; K31-E33 WeakPolarHBondContact CG-OE1 3.2Å; K31-E33 IonicContact NZ-OE1 2.67Å; K31-E33 IonicContact NZ-OE2 2.99Å; K31-T47 WeakPolarHBondContact O-CG2 3.35Å; K31-T47 PolarHBondContact O-OG1 3.33Å
32T96Very high91.2Very high2 Ų245.8 Ų45.81%0.01224%0.243CC..  trans-71135.6168.149.30000110F16 V18 F19 W21 Q46F16-T32 WeakPolarHBondContact CE2-OG1 3.46Å; F16-T32 WeakPolarHBondContact CZ-O 3.48Å; V18-T32 WeakPolarHBondContact CA-OG1 3.18Å; F19-T32 HydrophobicContact CB-CG2 4.05Å; F19-T32 HydrophobicContact CD2-CG2 4.14Å; F19-T32 PolarHBondContact N-OG1 2.87Å; F19-T32 PolarHBondContact O-N 3.15Å; W21-T32 HydrophobicContact CH2-CG2 4.3Å; W21-T32 HydrophobicContact CZ3-CG2 3.98Å; T32-Q46 HydrophobicContact CG2-CB 3.9Å; T32-Q46 VanDerWaalsContact CG2-OE1 3.28Å
33E94.3Very high90.9Very high29 Ų2944.1 Ų44.114%0.13623%0.23CC..  trans-108.3-22.5-178.9-55.4-64.2166.400112.5K10 K31 Q46 L178K10-E33 PolarHBondContact N-O 3.4Å; K31-E33 WeakPolarHBondContact CE-OE1 3.36Å; K31-E33 WeakPolarHBondContact CE-OE2 3.28Å; K31-E33 VanDerWaalsContact CG-OE1 3.29Å; K31-E33 WeakPolarHBondContact CG-OE1 3.2Å; K31-E33 IonicContact NZ-OE1 2.67Å; K31-E33 IonicContact NZ-OE2 2.99Å; E33-Q46 PolarHBondContact N-O 2.91Å; E33-L178 HydrophobicContact CB-CD2 4.41Å
34V94.3Very high90.9Very high0 Ų041.7 Ų41.70%022%0.215CC..SBendtrans-125.3152.5177.8-59.60000112.1I11 F16 C38 A39 Q46 L49I11-V34 HydrophobicContact CG1-CG1 3.65Å; F16-V34 VanDerWaalsContact CE2-O 3.26Å; F16-V34 WeakPolarHBondContact CE2-O 3.3Å; V34-C38 HydrophobicContact CB-CB 4.41Å; V34-A39 HydrophobicContact CG2-CB 4.45Å; V34-Q46 HydrophobicContact CG2-CB 4.29Å; V34-Q46 HydrophobicContact CG2-CG 4.44Å; V34-Q46 PolarHBondContact N-O 3.14Å; V34-L49 HydrophobicContact CB-CD2 4.43Å; V34-L49 HydrophobicContact CG1-CD2 3.71Å; V34-L49 HydrophobicContact CG2-CD2 3.79Å
35C92.5Very high91Very high11 Ų1142.3 Ų42.37%0.07421%0.214CC..  trans-69.1162.8178.973.10000112.2C9 C12 F16 S37 C38 A39C9-C35 HydrophobicContact CB-CB 4.04Å; C9-C35 PolarHBondContact SG-N 3.07Å; C12-C35 VanDerWaalsContact SG-SG 3.64Å; F16-C35 HydrophobicContact CB-CB 3.65Å; F16-C35 HydrophobicContact CD1-CB 4.38Å; F16-C35 HydrophobicContact CD2-CB 4.2Å; F16-C35 HydrophobicContact CG-CB 3.83Å; C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 3.24Å; C35-C38 PolarHBondContact O-N 3.45Å; C35-C38 PolarHBondContact SG-N 2.88Å; C35-C38 PolarHBondContact SG-SG 3.39Å; C35-A39 WeakPolarHBondContact O-CB 3.46Å; C35-A39 PolarHBondContact O-N 2.87Å
36Q89.5Confident91.2Very high110 Ų11037.9 Ų37.951%0.51418%0.181SC..Hα-helixtrans-62.3-36.8178.9-168173.711.700112.3A39 K40Q36-A39 PolarHBondContact O-N 3.4Å; Q36-K40 HydrophobicContact CG-CD 4.35Å; Q36-K40 HydrophobicContact CG-CG 4.43Å; Q36-K40 WeakPolarHBondContact O-CB 3.27Å; Q36-K40 WeakPolarHBondContact O-CG 3.39Å; Q36-K40 PolarHBondContact O-N 2.94Å
37S87.8Confident91.4Very high19 Ų1930 Ų3013%0.13315%0.149CC..Hα-helixtrans-63-50.4178.3-40.30000111.4C35 A39 K40 I41C35-S37 VanDerWaalsContact C-N 3.29Å; C35-S37 PolarHBondContact O-N 3.24Å; S37-A39 VanDerWaalsContact C-N 3.33Å; S37-A39 PolarHBondContact O-N 3.21Å; S37-K40 PolarHBondContact O-N 3.03Å; S37-I41 WeakPolarHBondContact O-CD1 3.39Å; S37-I41 VanDerWaalsContact O-CG1 3.24Å; S37-I41 WeakPolarHBondContact O-CG1 3.22Å; S37-I41 PolarHBondContact O-N 3.02Å
38C89.7Confident91.4Very high0 Ų029.9 Ų29.90%015%0.147CC..Hα-helixtrans-59.1-42.7174.5-68.70000112.3V34 C35 K40 I41 K42 H82 Y182V34-C38 HydrophobicContact CB-CB 4.41Å; C35-C38 PolarHBondContact O-N 3.45Å; C35-C38 PolarHBondContact SG-N 2.88Å; C35-C38 PolarHBondContact SG-SG 3.39Å; C38-K40 PolarHBondContact O-N 3.19Å; C38-I41 PolarHBondContact O-N 2.84Å; C38-K42 PolarHBondContact O-N 2.84Å; C38-H82 PolarHBondContact SG-CE1 3.48Å; C38-Y182 HydrophobicContact CB-CE2 4.17Å; C38-Y182 PolarHBondContact O-OH 3.35Å
39A90.8Very high91.4Very high9 Ų926.9 Ų26.97%0.07414%0.136CC..Hα-helixtrans-62.3-41.7178.100000112.5V34 C35 Q36 S37 N43 V44 Q46V34-A39 HydrophobicContact CG2-CB 4.45Å; C35-A39 WeakPolarHBondContact O-CB 3.46Å; C35-A39 PolarHBondContact O-N 2.87Å; Q36-A39 PolarHBondContact O-N 3.4Å; S37-A39 VanDerWaalsContact C-N 3.33Å; S37-A39 PolarHBondContact O-N 3.21Å; A39-N43 WeakPolarHBondContact O-CA 3.16Å; A39-N43 PolarHBondContact O-N 2.93Å; A39-V44 WeakPolarHBondContact CB-O 3.48Å; A39-V44 PolarHBondContact O-N 2.84Å; A39-Q46 HydrophobicContact CB-CG 3.66Å
40K85.9Confident91.4Very high40 Ų4022.5 Ų22.517%0.17412%0.117CC..Hα-helixtrans-67.1-38.9178.3-77.4-175.5172-160.10112.8Q36 S37 C38 K42 N43 L89 I95Q36-K40 HydrophobicContact CG-CD 4.35Å; Q36-K40 HydrophobicContact CG-CG 4.43Å; Q36-K40 WeakPolarHBondContact O-CB 3.27Å; Q36-K40 WeakPolarHBondContact O-CG 3.39Å; Q36-K40 PolarHBondContact O-N 2.94Å; S37-K40 PolarHBondContact O-N 3.03Å; C38-K40 PolarHBondContact O-N 3.19Å; K40-K42 PolarHBondContact O-N 3.35Å; K40-N43 PolarHBondContact O-N 3.5Å; K40-L89 HydrophobicContact CD-CD1 4.42Å; K40-L89 HydrophobicContact CD-CD2 3.92Å; K40-I95 PolarHBondContact NZ-O 2.72Å
41I85Confident91.2Very high2 Ų221.5 Ų21.51%0.0111%0.113CC..Hα-helixtrans-58.9-49.8-179.7-67.3162.9000111.1S37 C38 L71 F81 I85 G101S37-I41 WeakPolarHBondContact O-CD1 3.39Å; S37-I41 VanDerWaalsContact O-CG1 3.24Å; S37-I41 WeakPolarHBondContact O-CG1 3.22Å; S37-I41 PolarHBondContact O-N 3.02Å; C38-I41 PolarHBondContact O-N 2.84Å; I41-L71 HydrophobicContact CG2-CD2 4.03Å; I41-F81 HydrophobicContact CD1-CE1 4.42Å; I41-I85 HydrophobicContact CD1-CB 4.41Å; I41-I85 HydrophobicContact CD1-CD1 3.61Å; I41-I85 HydrophobicContact CD1-CG2 3.91Å; I41-I85 HydrophobicContact CG1-CD1 3.81Å; I41-I85 HydrophobicContact CG1-CG2 3.86Å; I41-G101 VanDerWaalsContact O-CA 3.22Å; I41-G101 WeakPolarHBondContact O-CA 3.22Å
42K85.8Confident91Very high2 Ų224.6 Ų24.61%0.00913%0.131CC..Hα-helixtrans-961.4-175.3-79.1-77.2-172.9164.30114.3C38 K40 V44 V58 R61 D62 L71 Y182C38-K42 PolarHBondContact O-N 2.84Å; K40-K42 PolarHBondContact O-N 3.35Å; K42-V44 HydrophobicContact CB-CG1 4.07Å; K42-V44 HydrophobicContact CB-CG2 4.16Å; K42-V58 HydrophobicContact CD-CG1 4.03Å; K42-R61 PolarHBondContact O-NH1 2.92Å; K42-R61 VanDerWaalsContact O-NH1 3.12Å; K42-R61 PolarHBondContact O-NH2 3.36Å; K42-R61 VanDerWaalsContact O-NH2 3.16Å; K42-D62 IonicContact NZ-OD2 2.96Å; K42-D62 PolarHBondContact NZ-OD2 2.94Å; K42-L71 HydrophobicContact CD-CD1 4.3Å; K42-L71 HydrophobicContact CG-CD1 4.14Å; K42-Y182 HydrophobicContact CB-CE2 4.16Å; K42-Y182 HydrophobicContact CG-CE1 4.3Å; K42-Y182 HydrophobicContact CG-CE2 4.1Å
43N88.2Confident90.5Very high23 Ų2328.8 Ų28.812%0.12315%0.15CC..THydrogen-bonded Turntrans51.453.3-172.6-168.233.2000113A39 K40 L52 R61 N102A39-N43 WeakPolarHBondContact O-CA 3.16Å; A39-N43 PolarHBondContact O-N 2.93Å; K40-N43 PolarHBondContact O-N 3.5Å; N43-L52 PolarHBondContact O-N 2.82Å; N43-R61 PolarHBondContact O-NH2 3.4Å; N43-N102 WeakPolarHBondContact CB-OD1 3.32Å
44V92.1Very high90.3Very high2 Ų229 Ų291%0.01215%0.15CC..BIsolated β-bridgetrans-122155.2-175.4-660000112.8A39 K42 F50 V58 Y182A39-V44 WeakPolarHBondContact CB-O 3.48Å; A39-V44 PolarHBondContact O-N 2.84Å; K42-V44 HydrophobicContact CB-CG1 4.07Å; K42-V44 HydrophobicContact CB-CG2 4.16Å; V44-F50 CarbonylContact C-O 3.48Å; V44-F50 WeakPolarHBondContact CA-O 3.26Å; V44-V58 HydrophobicContact CG1-CG2 3.5Å; V44-Y182 HydrophobicContact CG2-CD2 4.39Å; V44-Y182 HydrophobicContact CG2-CE2 4.2Å
45C93.9Very high90.1Very high38 Ų3830.7 Ų30.726%0.25717%0.168SC..  trans-67.4134.1172178.10000111.7T47 C48 L49 F50 L52C45-T47 PolarHBondContact O-N 2.92Å; C45-C48 WeakPolarHBondContact CB-SG 3.36Å; C45-L49 WeakPolarHBondContact O-CA 3.47Å; C45-L49 PolarHBondContact O-N 3.46Å; C45-F50 PolarHBondContact N-O 2.87Å; C45-L52 HydrophobicContact CB-CD2 3.88Å
46Q94.2Very high90.1Very high50 Ų5030.3 Ų30.323%0.23417%0.165CC..THydrogen-bonded Turntrans-60.5-16-179.3-71.5177.1-23.600115.8T32 E33 V34 A39T32-Q46 HydrophobicContact CG2-CB 3.9Å; T32-Q46 VanDerWaalsContact CG2-OE1 3.28Å; E33-Q46 PolarHBondContact N-O 2.91Å; V34-Q46 HydrophobicContact CG2-CB 4.29Å; V34-Q46 HydrophobicContact CG2-CG 4.44Å; V34-Q46 PolarHBondContact N-O 3.14Å; A39-Q46 HydrophobicContact CB-CG 3.66Å
47T93.6Very high90.3Very high27 Ų2725.3 Ų25.317%0.16614%0.142CC..THydrogen-bonded Turntrans-114-45.1-179.4-58.30000113.2W21 K31 C45W21-T47 WeakPolarHBondContact CH2-OG1 3.34Å; K31-T47 WeakPolarHBondContact O-CG2 3.35Å; K31-T47 PolarHBondContact O-OG1 3.33Å; C45-T47 PolarHBondContact O-N 2.92Å
48C91.3Very high90.4Very high20 Ų2024.4 Ų24.414%0.13514%0.135CC..THydrogen-bonded Turntrans-93.5-10.6-176.560.50000114.5C45 F50 R181C45-C48 WeakPolarHBondContact CB-SG 3.36Å; C48-F50 HydrophobicContact CB-CD2 3.75Å; C48-F50 HydrophobicContact CB-CE2 4.3Å; C48-F50 PolarHBondContact O-N 3.39Å; C48-R181 PolarHBondContact O-NH2 2.88Å
49L92.4Very high90.5Very high6 Ų625.2 Ų25.23%0.03114%0.139CC..  trans5716.1-177.5-53.4178.3000114.4V34 C45 L178 Y182V34-L49 HydrophobicContact CB-CD2 4.43Å; V34-L49 HydrophobicContact CG1-CD2 3.71Å; V34-L49 HydrophobicContact CG2-CD2 3.79Å; C45-L49 WeakPolarHBondContact O-CA 3.47Å; C45-L49 PolarHBondContact O-N 3.46Å; L49-L178 HydrophobicContact CD1-CB 4.37Å; L49-L178 HydrophobicContact CD1-CG 4.31Å; L49-Y182 HydrophobicContact CD2-CD2 4.39Å
50F92.7Very high90.6Very high10 Ų1024.8 Ų24.84%0.04414%0.136CC..BIsolated β-bridgetrans-86.8156.8170-67.3-52.6000110.3V44 C45 C48 P57 I475V44-F50 CarbonylContact C-O 3.48Å; V44-F50 WeakPolarHBondContact CA-O 3.26Å; C45-F50 PolarHBondContact N-O 2.87Å; C48-F50 HydrophobicContact CB-CD2 3.75Å; C48-F50 HydrophobicContact CB-CE2 4.3Å; C48-F50 PolarHBondContact O-N 3.39Å; F50-P57 HydrophobicContact CD1-CG 4.33Å; F50-P57 HydrophobicContact CE1-CB 4.35Å; F50-P57 HydrophobicContact CE1-CG 3.9Å; F50-I475 HydrophobicContact CE2-CD1 4Å; F50-I475 HydrophobicContact CE2-CG2 4.3Å; F50-I475 HydrophobicContact CZ-CD1 3.87Å; F50-I475 HydrophobicContact CZ-CG2 3.96Å
51D91Very high90.7Very high7 Ų722.9 Ų22.94%0.03713%0.127CC..BIsolated β-bridgetrans-54141.9171-175.321.4000113.4E53 Y54 G55 L56 R61D51-E53 VanDerWaalsContact CG-N 3.25Å; D51-E53 PolarHBondContact OD1-N 3.46Å; D51-Y54 WeakPolarHBondContact OD2-CD2 3.27Å; D51-Y54 PolarHBondContact OD2-N 3.37Å; D51-G55 VanDerWaalsContact O-CA 3.25Å; D51-G55 WeakPolarHBondContact O-CA 3.48Å; D51-G55 PolarHBondContact O-N 3.11Å; D51-L56 PolarHBondContact N-O 2.93Å; D51-R61 VanDerWaalsContact CB-CZ 3.48Å; D51-R61 IonicContact OD1-CZ 2.77Å; D51-R61 VanDerWaalsContact OD1-CZ 3.29Å; D51-R61 IonicContact OD1-NE 2.75Å; D51-R61 PolarHBondContact OD1-NE 2.79Å; D51-R61 IonicContact OD1-NH2 3.06Å; D51-R61 PolarHBondContact OD1-NH2 2.87Å; D51-R61 IonicContact OD2-CZ 2.75Å; D51-R61 IonicContact OD2-NE 3.76Å; D51-R61 PolarHBondContact OD2-NE 2.93Å; D51-R61 IonicContact OD2-NH2 3.55Å
52L90.1Very high90.9Very high110 Ų11023.7 Ų23.758%0.57613%0.132SC*.SBendtrans-77.5-25172.6-63.9178.9000112.7N43 C45N43-L52 PolarHBondContact O-N 2.82Å; C45-L52 HydrophobicContact CB-CD2 3.88Å
53E86.2Confident91Very high90 Ų9028.9 Ų28.942%0.42116%0.155SC..SBendtrans-87-57.1-178-169.3177.2160.300112.6D51 I109D51-E53 VanDerWaalsContact CG-N 3.25Å; D51-E53 PolarHBondContact OD1-N 3.46Å; E53-I109 WeakPolarHBondContact OE1-CG2 3.29Å; E53-I109 WeakPolarHBondContact OE2-CD1 3.16Å
54Y88.2Confident90.9Very high33 Ų3328.4 Ų28.413%0.12915%0.153CC..SBendtrans-98.5-14.3-176.9-56.4-71.3000114D51 L56 L127 A131D51-Y54 WeakPolarHBondContact OD2-CD2 3.27Å; D51-Y54 PolarHBondContact OD2-N 3.37Å; Y54-L56 VanDerWaalsContact C-N 3.29Å; Y54-L56 PolarHBondContact O-N 3.08Å; Y54-L127 HydrophobicContact CD1-CB 3.86Å; Y54-L127 HydrophobicContact CD2-CB 4.03Å; Y54-L127 HydrophobicContact CD2-CD1 3.84Å; Y54-L127 HydrophobicContact CD2-CG 4.34Å; Y54-L127 HydrophobicContact CE1-CB 4.03Å; Y54-L127 HydrophobicContact CE2-CB 4.26Å; Y54-L127 HydrophobicContact CE2-CD1 3.67Å; Y54-L127 HydrophobicContact CG-CB 3.88Å; Y54-A131 WeakPolarHBondContact O-CB 3.26Å
55G91Very high90.5Very high36 Ų3629.1 Ų29.137%0.37116%0.157SC..  trans70.223.3-175.200000114.4D51D51-G55 VanDerWaalsContact O-CA 3.25Å; D51-G55 WeakPolarHBondContact O-CA 3.48Å; D51-G55 PolarHBondContact O-N 3.11Å
56L92.5Very high89.8Confident3 Ų338.1 Ų38.12%0.01619%0.186CC..  trans-105.1160.9-175.7-64.4177.2000112.6D51 Y54 V60 L127 L130 L193D51-L56 PolarHBondContact N-O 2.93Å; Y54-L56 VanDerWaalsContact C-N 3.29Å; Y54-L56 PolarHBondContact O-N 3.08Å; L56-V60 HydrophobicContact CD1-CG1 4.24Å; L56-L127 HydrophobicContact CD1-CB 4.32Å; L56-L127 HydrophobicContact CD1-CD2 3.69Å; L56-L127 WeakPolarHBondContact CD1-O 3.14Å; L56-L130 HydrophobicContact CD1-CB 3.95Å; L56-L130 HydrophobicContact CD2-CB 4.09Å; L56-L193 HydrophobicContact CD2-CD2 3.72Å
57P93.4Very high88.7Confident4 Ų436.7 Ų36.73%0.02618%0.18CC..BIsolated β-bridgetrans-56.7147.3170-18.427.1000112.3F50 E59 V60 R61 V189 A190 L193F50-P57 HydrophobicContact CD1-CG 4.33Å; F50-P57 HydrophobicContact CE1-CB 4.35Å; F50-P57 HydrophobicContact CE1-CG 3.9Å; P57-E59 VanDerWaalsContact C-N 3.26Å; P57-E59 PolarHBondContact O-N 3.48Å; P57-V60 HydrophobicContact CB-CG2 4.16Å; P57-V60 HydrophobicContact CG-CG2 4.04Å; P57-V60 PolarHBondContact O-N 3.01Å; P57-V60 VanDerWaalsContact O-N 3.14Å; P57-R61 PolarHBondContact O-N 3.2Å; P57-V189 HydrophobicContact CG-CG1 4.09Å; P57-A190 HydrophobicContact CB-CB 4.02Å; P57-A190 HydrophobicContact CG-CB 4.33Å; P57-L193 HydrophobicContact CG-CD2 4.1Å
58V91.2Very high87.4Confident0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-56.7-42.5-179.8177.30000111.2K42 V44 V60 R61 D62K42-V58 HydrophobicContact CD-CG1 4.03Å; V44-V58 HydrophobicContact CG1-CG2 3.5Å; V58-V60 VanDerWaalsContact C-N 3.34Å; V58-V60 PolarHBondContact O-N 3.08Å; V58-R61 PolarHBondContact O-N 2.75Å; V58-D62 WeakPolarHBondContact CG1-OD2 3.29Å; V58-D62 WeakPolarHBondContact O-CB 3.39Å; V58-D62 VanDerWaalsContact O-CG 3.31Å; V58-D62 PolarHBondContact O-N 2.8Å
59E91.5Very high86.4Confident17 Ų1740.6 Ų40.68%0.07921%0.205CC..Hα-helixtrans-59.9-40.4179.3-177.5178.1160.200112.9P57 K63 G184 D187 A190P57-E59 VanDerWaalsContact C-N 3.26Å; P57-E59 PolarHBondContact O-N 3.48Å; E59-K63 HydrophobicContact CG-CD 4Å; E59-K63 VanDerWaalsContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.18Å; E59-K63 PolarHBondContact O-N 3.2Å; E59-K63 WeakPolarHBondContact OE1-CE 3.38Å; E59-K63 IonicContact OE1-NZ 3.1Å; E59-K63 PolarHBondContact OE1-NZ 3.5Å; E59-G184 WeakPolarHBondContact CG-O 3.27Å; E59-D187 WeakPolarHBondContact OE2-CB 3.31Å; E59-D187 PolarHBondContact OE2-N 2.89Å; E59-A190 HydrophobicContact CB-CB 3.66Å; E59-A190 HydrophobicContact CG-CB 3.96Å
60V92Very high85.4Confident0 Ų048.3 Ų48.30%024%0.241CC..Hα-helixtrans-65.4-43.5177.5-179.50000110.2L56 P57 V58 A64 L127 L130 A190 L193 L194L56-V60 HydrophobicContact CD1-CG1 4.24Å; P57-V60 HydrophobicContact CB-CG2 4.16Å; P57-V60 HydrophobicContact CG-CG2 4.04Å; P57-V60 PolarHBondContact O-N 3.01Å; P57-V60 VanDerWaalsContact O-N 3.14Å; V58-V60 VanDerWaalsContact C-N 3.34Å; V58-V60 PolarHBondContact O-N 3.08Å; V60-A64 VanDerWaalsContact O-CB 3.27Å; V60-A64 WeakPolarHBondContact O-CB 3.27Å; V60-A64 PolarHBondContact O-N 2.92Å; V60-L127 HydrophobicContact CG1-CD2 4.19Å; V60-L130 HydrophobicContact CG1-CD1 3.85Å; V60-A190 HydrophobicContact CG2-CB 3.71Å; V60-L193 HydrophobicContact CG2-CB 4.03Å; V60-L193 HydrophobicContact CG2-CD2 4.24Å; V60-L194 HydrophobicContact CG2-CG 4.43Å
61R89.5Confident84.6Confident0 Ų048.8 Ų48.80%024%0.244CC..Hα-helixtrans-62.6-49.8177.6-162.8-152.3-63.1126.9-22.8111.9K42 N43 D51 P57 V58 K63 A64 L65 L127K42-R61 PolarHBondContact O-NH1 2.92Å; K42-R61 VanDerWaalsContact O-NH1 3.12Å; K42-R61 PolarHBondContact O-NH2 3.36Å; K42-R61 VanDerWaalsContact O-NH2 3.16Å; N43-R61 PolarHBondContact O-NH2 3.4Å; D51-R61 VanDerWaalsContact CB-CZ 3.48Å; D51-R61 IonicContact OD1-CZ 2.77Å; D51-R61 VanDerWaalsContact OD1-CZ 3.29Å; D51-R61 IonicContact OD1-NE 2.75Å; D51-R61 PolarHBondContact OD1-NE 2.79Å; D51-R61 IonicContact OD1-NH2 3.06Å; D51-R61 PolarHBondContact OD1-NH2 2.87Å; D51-R61 IonicContact OD2-CZ 2.75Å; D51-R61 IonicContact OD2-NE 3.76Å; D51-R61 PolarHBondContact OD2-NE 2.93Å; D51-R61 IonicContact OD2-NH2 3.55Å; P57-R61 PolarHBondContact O-N 3.2Å; V58-R61 PolarHBondContact O-N 2.75Å; R61-K63 PolarHBondContact O-N 2.88Å; R61-A64 PolarHBondContact O-N 2.78Å; R61-L65 HydrophobicContact CG-CD1 3.89Å; R61-L65 HydrophobicContact CG-CG 4.47Å; R61-L65 WeakPolarHBondContact O-CB 3.46Å; R61-L65 PolarHBondContact O-N 3.36Å; R61-L127 HydrophobicContact CB-CD2 4.34Å; R61-L127 HydrophobicContact CG-CD1 4.2Å; R61-L127 HydrophobicContact CG-CD2 4.39Å
62D88.1Confident84.2Confident19 Ų1950.4 Ų50.410%0.10226%0.255CS..Hα-helixtrans-66.3-39.3-175.3-72.76.9000110.5K42 V58 R66 L67K42-D62 IonicContact NZ-OD2 2.96Å; K42-D62 PolarHBondContact NZ-OD2 2.94Å; V58-D62 WeakPolarHBondContact CG1-OD2 3.29Å; V58-D62 WeakPolarHBondContact O-CB 3.39Å; V58-D62 VanDerWaalsContact O-CG 3.31Å; V58-D62 PolarHBondContact O-N 2.8Å; D62-R66 CarbonylContact O-C 3.53Å; D62-R66 WeakPolarHBondContact O-CA 3.39Å; D62-R66 PolarHBondContact O-N 3.43Å; D62-L67 WeakPolarHBondContact CB-O 2.99Å; D62-L67 PolarHBondContact O-N 3.11Å
63K88Confident83.6Confident112 Ų11251 Ų5149%0.48725%0.252SS..Hα-helixtrans-64.3-43.2172.2-77.3174.6173176.30112.7E59 R61 R66 L194E59-K63 HydrophobicContact CG-CD 4Å; E59-K63 VanDerWaalsContact O-CB 3.29Å; E59-K63 WeakPolarHBondContact O-CB 3.37Å; E59-K63 VanDerWaalsContact O-CG 3.29Å; E59-K63 WeakPolarHBondContact O-CG 3.18Å; E59-K63 PolarHBondContact O-N 3.2Å; E59-K63 WeakPolarHBondContact OE1-CE 3.38Å; E59-K63 IonicContact OE1-NZ 3.1Å; E59-K63 PolarHBondContact OE1-NZ 3.5Å; R61-K63 PolarHBondContact O-N 2.88Å; K63-R66 PolarHBondContact O-N 3.41Å; K63-L194 HydrophobicContact CD-CD1 3.54Å; K63-L194 HydrophobicContact CD-CD2 4.25Å
64A86.4Confident83.7Confident12 Ų1252.1 Ų52.110%0.09926%0.261CS..Hα-helixtrans-68.7-42.5-17900000112.8V60 R61 R66 G123 L126 L127V60-A64 VanDerWaalsContact O-CB 3.27Å; V60-A64 WeakPolarHBondContact O-CB 3.27Å; V60-A64 PolarHBondContact O-N 2.92Å; R61-A64 PolarHBondContact O-N 2.78Å; A64-R66 VanDerWaalsContact C-N 3.29Å; A64-G123 WeakPolarHBondContact O-CA 2.92Å; A64-L126 HydrophobicContact CB-CD2 3.56Å; A64-L126 HydrophobicContact CB-CG 4.05Å; A64-L127 HydrophobicContact CB-CD1 3.85Å; A64-L127 HydrophobicContact CB-CD2 3.68Å; A64-L127 HydrophobicContact CB-CG 3.57Å
65L83.2Confident83.5Confident17 Ų1755.6 Ų55.69%0.08928%0.282CS..Hα-helixtrans-84.7-2.3179.8-63178.4000113.3R61 L67 I109 T112 T124 L127R61-L65 HydrophobicContact CG-CD1 3.89Å; R61-L65 HydrophobicContact CG-CG 4.47Å; R61-L65 WeakPolarHBondContact O-CB 3.46Å; R61-L65 PolarHBondContact O-N 3.36Å; L65-L67 HydrophobicContact CB-CB 4.35Å; L65-L67 HydrophobicContact CB-CD1 3.49Å; L65-L67 VanDerWaalsContact CB-CD1 3.49Å; L65-L67 HydrophobicContact CB-CG 3.65Å; L65-L67 HydrophobicContact CD1-CD1 3.61Å; L65-L67 HydrophobicContact CG-CD1 4.2Å; L65-L67 PolarHBondContact O-N 3.01Å; L65-I109 HydrophobicContact CD1-CG1 3.97Å; L65-T112 HydrophobicContact CD2-CG2 4.35Å; L65-T124 HydrophobicContact CD2-CG2 4.32Å; L65-L127 HydrophobicContact CD1-CD1 4.35Å; L65-L127 HydrophobicContact CD2-CD1 3.96Å; L65-L127 HydrophobicContact CG-CD1 3.88Å
66R78.5Confident83.3Confident227 Ų22759.4 Ų59.486%0.85730%0.298SS*.THydrogen-bonded Turntrans53.537.1-173.2-56179.4180175.8-1.1112D62 K63 A64D62-R66 CarbonylContact O-C 3.53Å; D62-R66 WeakPolarHBondContact O-CA 3.39Å; D62-R66 PolarHBondContact O-N 3.43Å; K63-R66 PolarHBondContact O-N 3.41Å; A64-R66 VanDerWaalsContact C-N 3.29Å
67L72.6Confident83.1Confident21 Ų2163.3 Ų63.311%0.1132%0.319CS..  trans-95.399.1-179.4-72.7171.8000109.3D62 L65 Q69 I105 A108D62-L67 WeakPolarHBondContact CB-O 2.99Å; D62-L67 PolarHBondContact O-N 3.11Å; L65-L67 HydrophobicContact CB-CB 4.35Å; L65-L67 HydrophobicContact CB-CD1 3.49Å; L65-L67 VanDerWaalsContact CB-CD1 3.49Å; L65-L67 HydrophobicContact CB-CG 3.65Å; L65-L67 HydrophobicContact CD1-CD1 3.61Å; L65-L67 HydrophobicContact CG-CD1 4.2Å; L65-L67 PolarHBondContact O-N 3.01Å; L67-Q69 PolarHBondContact O-N 3.45Å; L67-I105 HydrophobicContact CD1-CB 3.92Å; L67-I105 HydrophobicContact CD1-CG1 3.57Å; L67-I105 HydrophobicContact CD1-CG2 4.18Å; L67-A108 HydrophobicContact CD1-CB 3.96Å; L67-A108 HydrophobicContact CD2-CB 3.71Å; L67-A108 HydrophobicContact CG-CB 4.08Å
68S66.3Low82.6Confident97 Ų9763.9 Ų63.968%0.67832%0.321SS*.  trans-92.778.8169.650.70000110.1Q70S68-Q70 PolarHBondContact O-N 2.99Å
69Q69.5Low82.3Confident32 Ų3267.2 Ų67.215%0.1534%0.336CS..  trans-74.394167.1-70.5-174.8-9.100109.4L67 L71 G101 I105L67-Q69 PolarHBondContact O-N 3.45Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.2Å; Q69-G101 VanDerWaalsContact NE2-C 3.34Å; Q69-G101 PolarHBondContact NE2-O 3.14Å; Q69-I105 VanDerWaalsContact NE2-CG1 3.27Å
70Q71.1Confident82.1Confident168 Ų16873.6 Ų73.679%0.78536%0.361SS*.  trans-71.688.2172.6-66.3-67.8-12.600109.1S68S68-Q70 PolarHBondContact O-N 2.99Å
71L76.8Confident81.9Confident20 Ų2076.6 Ų76.611%0.10537%0.373CS..  trans-76.9132.8171.6-71.3168.6000109.4I41 K42 Q69 K73 F81 Y182 Y183I41-L71 HydrophobicContact CG2-CD2 4.03Å; K42-L71 HydrophobicContact CD-CD1 4.3Å; K42-L71 HydrophobicContact CG-CD1 4.14Å; Q69-L71 VanDerWaalsContact C-N 3.31Å; Q69-L71 PolarHBondContact O-N 3.2Å; L71-K73 PolarHBondContact O-N 3.34Å; L71-F81 HydrophobicContact CD2-CD1 4.12Å; L71-F81 HydrophobicContact CD2-CE1 3.2Å; L71-F81 HydrophobicContact CD2-CZ 3.55Å; L71-Y182 HydrophobicContact CD1-CE1 3.95Å; L71-Y183 HydrophobicContact CB-CD1 4.08Å; L71-Y183 HydrophobicContact CB-CE1 3.89Å; L71-Y183 HydrophobicContact CD1-CD1 4.06Å; L71-Y183 HydrophobicContact CD1-CE1 4.11Å
72P81.5Confident81.6Confident41 Ų4176.9 Ų76.927%0.26638%0.375SS..  trans-59.8127.6176.2-22.532.9000111.6N77 F81P72-N77 HydrophobicContact CB-CB 3.65Å; P72-N77 HydrophobicContact CG-CB 4.5Å; P72-F81 HydrophobicContact CG-CB 4.08Å; P72-F81 HydrophobicContact CG-CD2 4.24Å; P72-F81 HydrophobicContact CG-CG 4.16Å
73K78.9Confident81.5Confident121 Ų12181.2 Ų81.253%0.52639%0.394SS..  trans-92.2-28.9178.4-62.6-172.3-178.3-171.30113.6L71 H185L71-K73 PolarHBondContact O-N 3.34Å; K73-H185 PolarHBondContact NZ-CD2 3.13Å
74N86.8Confident81.4Confident114 Ų11479.2 Ų79.261%0.6139%0.387SS*.SBendtrans-62.5139.8179.2-72.33.5000110.6V76 N77 R78N74-V76 PolarHBondContact O-N 3.02Å; N74-N77 HydrophobicContact CB-CB 4.26Å; N74-N77 PolarHBondContact O-N 3.4Å; N74-R78 WeakPolarHBondContact O-CB 3.2Å; N74-R78 PolarHBondContact O-N 2.62Å
75D83.9Confident81.2Confident107 Ų10779.3 Ų79.357%0.57239%0.385SS*.Hα-helixtrans-54.1-50.3-172.5-67.3-40.6000113.6R78 E79D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 IonicContact OD1-CZ 3.05Å; D75-R78 IonicContact OD1-NE 3.29Å; D75-R78 IonicContact OD1-NH2 3.18Å; D75-R78 PolarHBondContact OD1-NH2 3.21Å; D75-E79 PolarHBondContact O-N 2.9Å
76V88Confident81.1Confident116 Ų11681.7 Ų81.770%0.70340%0.396SS*.Hα-helixtrans-65-45.2-179.3-1780000111.5N74 R78 E79 Y80N74-V76 PolarHBondContact O-N 3.02Å; V76-R78 VanDerWaalsContact C-N 3.32Å; V76-R78 PolarHBondContact O-N 3.04Å; V76-E79 PolarHBondContact O-N 3.48Å; V76-Y80 WeakPolarHBondContact O-CB 3.16Å; V76-Y80 PolarHBondContact O-N 3.07Å
77N87.2Confident81.4Confident84 Ų8475.8 Ų75.845%0.44938%0.379SS..Hα-helixtrans-69.5-35.2-177.8-63.5-8.9000111.4P72 N74 F81P72-N77 HydrophobicContact CB-CB 3.65Å; P72-N77 HydrophobicContact CG-CB 4.5Å; N74-N77 HydrophobicContact CB-CB 4.26Å; N74-N77 PolarHBondContact O-N 3.4Å; N77-F81 WeakPolarHBondContact O-CB 3.29Å; N77-F81 PolarHBondContact O-N 2.96Å
78R84.4Confident81.7Confident17 Ų1778.4 Ų78.46%0.06439%0.392CS..Hα-helixtrans-63-49.8175.2174.6-178.863.2149.7-2110.3I11 D13 N74 D75 V76 F81 H82I11-R78 WeakPolarHBondContact O-CD 3.36Å; I11-R78 PolarHBondContact O-NH1 3Å; D13-R78 IonicContact OD1-NH1 3.81Å; D13-R78 IonicContact OD2-CZ 3Å; D13-R78 VanDerWaalsContact OD2-CZ 3.23Å; D13-R78 IonicContact OD2-NH1 3.43Å; D13-R78 PolarHBondContact OD2-NH1 3.42Å; D13-R78 IonicContact OD2-NH2 3.91Å; D13-R78 PolarHBondContact OD2-NH2 3.18Å; N74-R78 WeakPolarHBondContact O-CB 3.2Å; N74-R78 PolarHBondContact O-N 2.62Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 IonicContact OD1-CZ 3.05Å; D75-R78 IonicContact OD1-NE 3.29Å; D75-R78 IonicContact OD1-NH2 3.18Å; D75-R78 PolarHBondContact OD1-NH2 3.21Å; V76-R78 VanDerWaalsContact C-N 3.32Å; V76-R78 PolarHBondContact O-N 3.04Å; R78-F81 PolarHBondContact O-N 3.16Å; R78-H82 WeakPolarHBondContact O-CB 2.87Å; R78-H82 PolarHBondContact O-CD2 3.21Å; R78-H82 PolarHBondContact O-N 2.82Å
79E84.2Confident82Confident70 Ų7075.1 Ų75.133%0.32737%0.367SS..Hα-helixtrans-62.8-46.5178.8-177.859.5-160.600111.7R14 D75 V76 F81 H82 Q83R14-E79 IonicContact CZ-OE1 3.04Å; R14-E79 VanDerWaalsContact NE-CD 3.33Å; R14-E79 IonicContact NE-OE1 2.83Å; R14-E79 PolarHBondContact NE-OE1 2.76Å; R14-E79 IonicContact NE-OE2 3.81Å; R14-E79 PolarHBondContact NE-OE2 3.31Å; R14-E79 IonicContact NH2-OE1 3.23Å; R14-E79 PolarHBondContact NH2-OE1 3.07Å; D75-E79 PolarHBondContact O-N 2.9Å; V76-E79 PolarHBondContact O-N 3.48Å; E79-F81 PolarHBondContact O-N 3.33Å; E79-H82 PolarHBondContact O-N 3.44Å; E79-Q83 WeakPolarHBondContact O-CB 3.41Å; E79-Q83 PolarHBondContact O-N 2.84Å
80Y88.1Confident82.4Confident151 Ų15180.2 Ų80.259%0.59239%0.391SS*.Hα-helixtrans-58-46.7175.9178.3-96.7000112.1V76 H82 Q83 Q84V76-Y80 WeakPolarHBondContact O-CB 3.16Å; V76-Y80 PolarHBondContact O-N 3.07Å; Y80-H82 PolarHBondContact O-N 2.95Å; Y80-Q83 PolarHBondContact O-N 3.2Å; Y80-Q84 PolarHBondContact O-N 3.16Å
81F86.3Confident82.8Confident62 Ų6277.7 Ų77.727%0.27239%0.387SS..Hα-helixtrans-62.4-42.1178.2179.7-96.7000112I41 L71 P72 N77 R78 E79 Q84 I85I41-F81 HydrophobicContact CD1-CE1 4.42Å; L71-F81 HydrophobicContact CD2-CD1 4.12Å; L71-F81 HydrophobicContact CD2-CE1 3.2Å; L71-F81 HydrophobicContact CD2-CZ 3.55Å; P72-F81 HydrophobicContact CG-CB 4.08Å; P72-F81 HydrophobicContact CG-CD2 4.24Å; P72-F81 HydrophobicContact CG-CG 4.16Å; N77-F81 WeakPolarHBondContact O-CB 3.29Å; N77-F81 PolarHBondContact O-N 2.96Å; R78-F81 PolarHBondContact O-N 3.16Å; E79-F81 PolarHBondContact O-N 3.33Å; F81-Q84 PolarHBondContact O-N 3.11Å; F81-I85 HydrophobicContact CD1-CD1 3.8Å; F81-I85 HydrophobicContact CE1-CD1 3.16Å; F81-I85 HydrophobicContact CE1-CG1 4.3Å; F81-I85 HydrophobicContact CE2-CD1 3.99Å; F81-I85 HydrophobicContact CG-CD1 4.45Å; F81-I85 HydrophobicContact CZ-CD1 3.3Å; F81-I85 HydrophobicContact CZ-CG1 4.37Å; F81-I85 WeakPolarHBondContact O-CG1 3.43Å; F81-I85 PolarHBondContact O-N 2.62Å
82H82.7Confident82.3Confident7 Ų780.7 Ų80.73%0.03240%0.4CS..Hα-helixtrans-66.6-39.6176.5-80.9-60.9000112.6C12 C38 R78 E79 Y80 I85 E86C12-H82 VanDerWaalsContact CB-CD2 3.48Å; C12-H82 WeakPolarHBondContact CB-CD2 3.34Å; C38-H82 PolarHBondContact SG-CE1 3.48Å; R78-H82 WeakPolarHBondContact O-CB 2.87Å; R78-H82 PolarHBondContact O-CD2 3.21Å; R78-H82 PolarHBondContact O-N 2.82Å; E79-H82 PolarHBondContact O-N 3.44Å; Y80-H82 PolarHBondContact O-N 2.95Å; H82-I85 PolarHBondContact O-N 3.24Å; H82-E86 WeakPolarHBondContact O-CB 3.44Å; H82-E86 PolarHBondContact O-N 2.75Å
83Q87Confident81.2Confident109 Ų10981.4 Ų81.451%0.50942%0.415SS..Hα-helixtrans-62.4-44.5175.3-173.9175.519.600111.4E79 Y80 I85 E86 Q87E79-Q83 WeakPolarHBondContact O-CB 3.41Å; E79-Q83 PolarHBondContact O-N 2.84Å; Y80-Q83 PolarHBondContact O-N 3.2Å; Q83-I85 VanDerWaalsContact C-N 3.33Å; Q83-I85 PolarHBondContact O-N 3.21Å; Q83-E86 PolarHBondContact O-N 3.02Å; Q83-Q87 WeakPolarHBondContact O-CB 3.45Å; Q83-Q87 PolarHBondContact O-N 3.27Å
84Q86.1Confident80.2Confident71 Ų7178.8 Ų78.833%0.33241%0.407SS..Hα-helixtrans-61.8-42.2177.1-172.864.249.700111.8Y80 F81 N88Y80-Q84 PolarHBondContact O-N 3.16Å; F81-Q84 PolarHBondContact O-N 3.11Å; Q84-N88 PolarHBondContact NE2-OD1 3.36Å; Q84-N88 WeakPolarHBondContact O-CB 3.27Å; Q84-N88 PolarHBondContact O-N 3.42Å; Q84-N88 PolarHBondContact O-OD1 3.39Å
85I81.9Confident78.9Confident13 Ų1379.8 Ų79.87%0.06741%0.411CS..Hα-helixtrans-69.8-40.3178.7-71.1-178.1000111.7I41 F81 H82 Q83 Q87 N88 L89I41-I85 HydrophobicContact CD1-CB 4.41Å; I41-I85 HydrophobicContact CD1-CD1 3.61Å; I41-I85 HydrophobicContact CD1-CG2 3.91Å; I41-I85 HydrophobicContact CG1-CD1 3.81Å; I41-I85 HydrophobicContact CG1-CG2 3.86Å; F81-I85 HydrophobicContact CD1-CD1 3.8Å; F81-I85 HydrophobicContact CE1-CD1 3.16Å; F81-I85 HydrophobicContact CE1-CG1 4.3Å; F81-I85 HydrophobicContact CE2-CD1 3.99Å; F81-I85 HydrophobicContact CG-CD1 4.45Å; F81-I85 HydrophobicContact CZ-CD1 3.3Å; F81-I85 HydrophobicContact CZ-CG1 4.37Å; F81-I85 WeakPolarHBondContact O-CG1 3.43Å; F81-I85 PolarHBondContact O-N 2.62Å; H82-I85 PolarHBondContact O-N 3.24Å; Q83-I85 VanDerWaalsContact C-N 3.33Å; Q83-I85 PolarHBondContact O-N 3.21Å; I85-Q87 VanDerWaalsContact C-N 3.34Å; I85-N88 PolarHBondContact O-N 2.63Å; I85-L89 HydrophobicContact CG2-CD1 3.79Å; I85-L89 HydrophobicContact CG2-CG 4.16Å; I85-L89 WeakPolarHBondContact O-CB 3.37Å; I85-L89 VanDerWaalsContact O-CG 3.24Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.36Å
86E81.4Confident77.8Confident68 Ų6880.4 Ų80.432%0.31842%0.419SS..Hα-helixtrans-61.9-44.5175.7-174.1169.4-126.100111R14 H82 Q83 N88 L89 E90R14-E86 IonicContact CZ-OE2 2.7Å; R14-E86 IonicContact NH1-OE2 3.26Å; R14-E86 PolarHBondContact NH1-OE2 3.37Å; H82-E86 WeakPolarHBondContact O-CB 3.44Å; H82-E86 PolarHBondContact O-N 2.75Å; Q83-E86 PolarHBondContact O-N 3.02Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.67Å; E86-L89 WeakPolarHBondContact O-CB 3.42Å; E86-L89 PolarHBondContact O-N 3.21Å; E86-L89 VanDerWaalsContact O-N 3.17Å; E86-E90 WeakPolarHBondContact O-CG 3.36Å; E86-E90 PolarHBondContact O-N 3.37Å
87Q85.1Confident76.1Confident103 Ų10375.9 Ų75.948%0.48139%0.393SS..Hα-helixtrans-59.3-43.8174.2-171.6178.723.200111.7Q83 I85 E90 V91Q83-Q87 WeakPolarHBondContact O-CB 3.45Å; Q83-Q87 PolarHBondContact O-N 3.27Å; I85-Q87 VanDerWaalsContact C-N 3.34Å; Q87-E90 PolarHBondContact O-N 3.32Å; Q87-V91 VanDerWaalsContact O-CG2 3.24Å; Q87-V91 WeakPolarHBondContact O-CG2 3.23Å; Q87-V91 PolarHBondContact O-N 3.29Å
88N79.4Confident74.5Confident75 Ų7574.4 Ų74.440%0.40139%0.388SS..Hα-helixtrans-64.2-41.3176.7-68.1-2.1000111.7Q84 I85 E86 E90 V91 E92Q84-N88 PolarHBondContact NE2-OD1 3.36Å; Q84-N88 WeakPolarHBondContact O-CB 3.27Å; Q84-N88 PolarHBondContact O-N 3.42Å; Q84-N88 PolarHBondContact O-OD1 3.39Å; I85-N88 PolarHBondContact O-N 2.63Å; E86-N88 VanDerWaalsContact C-N 3.32Å; E86-N88 PolarHBondContact O-N 2.67Å; N88-E90 VanDerWaalsContact C-N 3.3Å; N88-E90 PolarHBondContact O-N 3.14Å; N88-V91 PolarHBondContact O-N 2.89Å; N88-E92 PolarHBondContact O-N 2.56Å
89L72.6Confident72.9Confident28 Ų2876.1 Ų76.115%0.14740%0.395CS..Hα-helixtrans-63.6-34.5176.2-76.6168.4000112.5K40 I85 E86K40-L89 HydrophobicContact CD-CD1 4.42Å; K40-L89 HydrophobicContact CD-CD2 3.92Å; I85-L89 HydrophobicContact CG2-CD1 3.79Å; I85-L89 HydrophobicContact CG2-CG 4.16Å; I85-L89 WeakPolarHBondContact O-CB 3.37Å; I85-L89 VanDerWaalsContact O-CG 3.24Å; I85-L89 WeakPolarHBondContact O-CG 3.44Å; I85-L89 PolarHBondContact O-N 3.36Å; E86-L89 WeakPolarHBondContact O-CB 3.42Å; E86-L89 PolarHBondContact O-N 3.21Å; E86-L89 VanDerWaalsContact O-N 3.17Å
90E76.6Confident71.1Confident139 Ų13974.9 Ų74.965%0.6540%0.401SS*.Hα-helixtrans-71.9-42.1175.4-73.7175.9176.200111.8E86 Q87 N88E86-E90 WeakPolarHBondContact O-CG 3.36Å; E86-E90 PolarHBondContact O-N 3.37Å; Q87-E90 PolarHBondContact O-N 3.32Å; N88-E90 VanDerWaalsContact C-N 3.3Å; N88-E90 PolarHBondContact O-N 3.14Å
91V79.4Confident69.3Low116 Ų11667.8 Ų67.870%0.70337%0.374SS*.Hα-helixtrans-67.2-43.1-179.1169.70000112.1Q87 N88 G93Q87-V91 VanDerWaalsContact O-CG2 3.24Å; Q87-V91 WeakPolarHBondContact O-CG2 3.23Å; Q87-V91 PolarHBondContact O-N 3.29Å; N88-V91 PolarHBondContact O-N 2.89Å; V91-G93 PolarHBondContact O-N 3.45Å
92E66.5Low67.6Low83 Ų8365.8 Ų65.839%0.38837%0.366SS..Hα-helixtrans-73-15.8-175.2-75.1175138.200112.9N88 D94 Y99N88-E92 PolarHBondContact O-N 2.56Å; E92-D94 PolarHBondContact O-N 2.77Å; E92-Y99 HydrophobicContact CB-CE2 4.13Å; E92-Y99 HydrophobicContact CG-CE1 4.44Å; E92-Y99 WeakPolarHBondContact OE1-CE1 3.49Å; E92-Y99 WeakPolarHBondContact OE2-CD1 3.08Å; E92-Y99 WeakPolarHBondContact OE2-CE1 3.32Å; E92-Y99 VanDerWaalsContact OE2-CG 3.22Å
93G59.2Low66.2Low56 Ų5669.8 Ų69.858%0.57739%0.385SS*.  trans61.9-10.6171.600000115.8V91 I95V91-G93 PolarHBondContact O-N 3.45Å; G93-I95 PolarHBondContact O-N 2.71Å; G93-I95 VanDerWaalsContact O-N 3.17Å
94D58.4Low64.5Low65 Ų6569.8 Ų69.835%0.34839%0.388SS..  trans-8494.7179.3-170.3-4.1000109.5E92 T96 A97 Y99E92-D94 PolarHBondContact O-N 2.77Å; D94-T96 PolarHBondContact O-N 3.09Å; D94-T96 VanDerWaalsContact O-N 3.14Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 PolarHBondContact OD1-N 3.06Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å; D94-A97 HydrophobicContact CB-CB 4.21Å; D94-A97 PolarHBondContact O-N 3.12Å; D94-A97 PolarHBondContact OD1-N 2.75Å; D94-A97 WeakPolarHBondContact OD2-CB 3.08Å; D94-Y99 HydrophobicContact CB-CE2 4.32Å
95I58.2Low63.1Low135 Ų13566.4 Ų66.469%0.69237%0.372SS*.SBendtrans-60.8-22.7178.3-60.9166.7000111K40 G93K40-I95 PolarHBondContact NZ-O 2.72Å; G93-I95 PolarHBondContact O-N 2.71Å; G93-I95 VanDerWaalsContact O-N 3.17Å
96T61.5Low61.8Low121 Ų12166.6 Ų66.674%0.74238%0.377SS*.SBendtrans-92.1-26.9-171.769.90000113.8D94 P98D94-T96 PolarHBondContact O-N 3.09Å; D94-T96 VanDerWaalsContact O-N 3.14Å; D94-T96 WeakPolarHBondContact OD1-CB 3.46Å; D94-T96 PolarHBondContact OD1-N 3.06Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å; T96-P98 WeakPolarHBondContact O-CD 3.48Å
97A52.7Low60.6Low20 Ų2069 Ų6917%0.16539%0.387CS..SBendtrans-78.1126-179.500000111.3D94 Y99D94-A97 HydrophobicContact CB-CB 4.21Å; D94-A97 PolarHBondContact O-N 3.12Å; D94-A97 PolarHBondContact OD1-N 2.75Å; D94-A97 WeakPolarHBondContact OD2-CB 3.08Å; A97-Y99 HydrophobicContact CB-CD2 3.42Å; A97-Y99 VanDerWaalsContact CB-CD2 3.42Å; A97-Y99 HydrophobicContact CB-CE2 3.17Å; A97-Y99 WeakPolarHBondContact O-CD2 3.16Å; A97-Y99 PolarHBondContact O-N 3.13Å
98P52.3Low59.1Low54 Ų5465 Ų6535%0.35137%0.371SS..  trans-74.4106.3170.630.2-32.1000108.2T96 N102T96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-N102 HydrophobicContact CB-CB 3.62Å; P98-N102 WeakPolarHBondContact CB-ND2 2.95Å; P98-N102 HydrophobicContact CG-CB 3.69Å; P98-N102 WeakPolarHBondContact CG-ND2 3.38Å; P98-N102 WeakPolarHBondContact O-CB 3.09Å
99Y51.9Low58Low53 Ų5362.3 Ų62.321%0.20836%0.356CS..  trans-103.8158.1-171.8-91.7-78.4000114.2E92 D94 A97 G101E92-Y99 HydrophobicContact CB-CE2 4.13Å; E92-Y99 HydrophobicContact CG-CE1 4.44Å; E92-Y99 WeakPolarHBondContact OE1-CE1 3.49Å; E92-Y99 WeakPolarHBondContact OE2-CD1 3.08Å; E92-Y99 WeakPolarHBondContact OE2-CE1 3.32Å; E92-Y99 VanDerWaalsContact OE2-CG 3.22Å; D94-Y99 HydrophobicContact CB-CE2 4.32Å; A97-Y99 HydrophobicContact CB-CD2 3.42Å; A97-Y99 VanDerWaalsContact CB-CD2 3.42Å; A97-Y99 HydrophobicContact CB-CE2 3.17Å; A97-Y99 WeakPolarHBondContact O-CD2 3.16Å; A97-Y99 PolarHBondContact O-N 3.13Å; Y99-G101 VanDerWaalsContact C-N 3.34Å; Y99-G101 PolarHBondContact O-N 3.4Å; Y99-G101 VanDerWaalsContact O-N 3.08Å
100G46.9Very low57.1Low43 Ų4364.2 Ų64.244%0.44337%0.372SS..SBendtrans83.8-59.6175.200000114.2
101G48.7Very low55.8Low3 Ų362.6 Ų62.63%0.03137%0.368CS..SBendtrans-93.7-29175.100000113.4I41 Q69 Y99 L104 I105I41-G101 VanDerWaalsContact O-CA 3.22Å; I41-G101 WeakPolarHBondContact O-CA 3.22Å; Q69-G101 VanDerWaalsContact NE2-C 3.34Å; Q69-G101 PolarHBondContact NE2-O 3.14Å; Y99-G101 VanDerWaalsContact C-N 3.34Å; Y99-G101 PolarHBondContact O-N 3.4Å; Y99-G101 VanDerWaalsContact O-N 3.08Å; G101-L104 PolarHBondContact O-N 3.1Å; G101-L104 VanDerWaalsContact O-N 3.14Å; G101-I105 WeakPolarHBondContact O-CB 3.08Å; G101-I105 WeakPolarHBondContact O-CG1 3.22Å; G101-I105 PolarHBondContact O-N 2.73Å
102N51.6Low54.4Low19 Ų1958.4 Ų58.410%0.10234%0.343CS..Hα-helixtrans-83.1-4.2178.1-101.234.6000115.4N43 P98 L104 I105 G106N43-N102 WeakPolarHBondContact CB-OD1 3.32Å; P98-N102 HydrophobicContact CB-CB 3.62Å; P98-N102 WeakPolarHBondContact CB-ND2 2.95Å; P98-N102 HydrophobicContact CG-CB 3.69Å; P98-N102 WeakPolarHBondContact CG-ND2 3.38Å; P98-N102 WeakPolarHBondContact O-CB 3.09Å; N102-L104 VanDerWaalsContact C-N 3.32Å; N102-I105 VanDerWaalsContact OD1-CB 3.3Å; N102-I105 WeakPolarHBondContact OD1-CB 3.43Å; N102-I105 WeakPolarHBondContact OD1-CG2 3.22Å; N102-G106 WeakPolarHBondContact O-CA 3.38Å; N102-G106 PolarHBondContact O-N 2.84Å
103Q52.6Low53.5Low92 Ų9257.5 Ų57.543%0.4335%0.349SS..Hα-helixtrans-70-36.3157.7-78.8-16330.400110.5K107Q103-K107 WeakPolarHBondContact O-CA 3.47Å; Q103-K107 WeakPolarHBondContact O-CB 3.28Å; Q103-K107 WeakPolarHBondContact O-CD 3.47Å; Q103-K107 WeakPolarHBondContact O-CG 3.37Å; Q103-K107 PolarHBondContact O-N 2.75Å
104L52Low52.8Low109 Ų10958.6 Ų58.657%0.57135%0.348SS*.Hα-helixtrans-79.2-48175.3-76.1149.6000111.4G101 N102 A108G101-L104 PolarHBondContact O-N 3.1Å; G101-L104 VanDerWaalsContact O-N 3.14Å; N102-L104 VanDerWaalsContact C-N 3.32Å; L104-A108 WeakPolarHBondContact O-CB 3.33Å; L104-A108 PolarHBondContact O-N 2.65Å
105I55.8Low52.1Low0 Ų056.4 Ų56.40%034%0.339CS..Hα-helixtrans-68.6-47.4176.9-64.9153.4000110.2L67 Q69 G101 N102 A108 I109L67-I105 HydrophobicContact CD1-CB 3.92Å; L67-I105 HydrophobicContact CD1-CG1 3.57Å; L67-I105 HydrophobicContact CD1-CG2 4.18Å; Q69-I105 VanDerWaalsContact NE2-CG1 3.27Å; G101-I105 WeakPolarHBondContact O-CB 3.08Å; G101-I105 WeakPolarHBondContact O-CG1 3.22Å; G101-I105 PolarHBondContact O-N 2.73Å; N102-I105 VanDerWaalsContact OD1-CB 3.3Å; N102-I105 WeakPolarHBondContact OD1-CB 3.43Å; N102-I105 WeakPolarHBondContact OD1-CG2 3.22Å; I105-A108 CarbonylContact O-C 3.6Å; I105-A108 PolarHBondContact O-N 3.36Å; I105-I109 HydrophobicContact CG2-CD1 3.28Å; I105-I109 HydrophobicContact CG2-CG1 4.09Å; I105-I109 WeakPolarHBondContact O-CB 3.4Å; I105-I109 WeakPolarHBondContact O-CD1 3.25Å; I105-I109 WeakPolarHBondContact O-CG1 3.25Å; I105-I109 PolarHBondContact O-N 3.08Å
106G54.3Low51.4Low17 Ų1753.3 Ų53.318%0.17533%0.329CS..Hα-helixtrans-73.3-30.9177.600000114.2N102 S110N102-G106 WeakPolarHBondContact O-CA 3.38Å; N102-G106 PolarHBondContact O-N 2.84Å; G106-S110 WeakPolarHBondContact O-CA 3.43Å; G106-S110 WeakPolarHBondContact O-CB 3.37Å; G106-S110 PolarHBondContact O-N 2.95Å; G106-S110 PolarHBondContact O-OG 3.26Å
107K57.1Low50.6Low118 Ų11851.6 Ų51.651%0.51332%0.322SS..Hα-helixtrans-67.4-38.7163.9-73.6166.3-177.7161.20110.2Q103 N111Q103-K107 WeakPolarHBondContact O-CA 3.47Å; Q103-K107 WeakPolarHBondContact O-CB 3.28Å; Q103-K107 WeakPolarHBondContact O-CD 3.47Å; Q103-K107 WeakPolarHBondContact O-CG 3.37Å; Q103-K107 PolarHBondContact O-N 2.75Å; K107-N111 WeakPolarHBondContact O-CA 3.4Å; K107-N111 WeakPolarHBondContact O-CB 2.95Å; K107-N111 PolarHBondContact O-N 3.19Å; K107-N111 PolarHBondContact O-ND2 3.49Å; K107-N111 PolarHBondContact O-OD1 2.84Å
108A53.5Low50.2Low18 Ų1854.5 Ų54.515%0.14934%0.341CS..Hα-helixtrans-68.2-39.7175.700000112.7L67 L104 I105 T112L67-A108 HydrophobicContact CD1-CB 3.96Å; L67-A108 HydrophobicContact CD2-CB 3.71Å; L67-A108 HydrophobicContact CG-CB 4.08Å; L104-A108 WeakPolarHBondContact O-CB 3.33Å; L104-A108 PolarHBondContact O-N 2.65Å; I105-A108 CarbonylContact O-C 3.6Å; I105-A108 PolarHBondContact O-N 3.36Å; A108-T112 VanDerWaalsContact O-CB 3.22Å; A108-T112 WeakPolarHBondContact O-CB 3.17Å; A108-T112 WeakPolarHBondContact O-CG2 3.13Å; A108-T112 PolarHBondContact O-N 3.46Å; A108-T112 PolarHBondContact O-OG1 3.35Å
109I56.1Low49.5Very low20 Ų2056 Ų5610%0.10335%0.353CS..Hα-helixtrans-67.6-47.7174.4-66155.6000109.9E53 L65 I105 N111 T112 A113E53-I109 WeakPolarHBondContact OE1-CG2 3.29Å; E53-I109 WeakPolarHBondContact OE2-CD1 3.16Å; L65-I109 HydrophobicContact CD1-CG1 3.97Å; I105-I109 HydrophobicContact CG2-CD1 3.28Å; I105-I109 HydrophobicContact CG2-CG1 4.09Å; I105-I109 WeakPolarHBondContact O-CB 3.4Å; I105-I109 WeakPolarHBondContact O-CD1 3.25Å; I105-I109 WeakPolarHBondContact O-CG1 3.25Å; I105-I109 PolarHBondContact O-N 3.08Å; I109-N111 PolarHBondContact O-N 2.96Å; I109-T112 WeakPolarHBondContact CA-OG1 3.38Å; I109-T112 PolarHBondContact O-N 3.46Å; I109-T112 PolarHBondContact O-OG1 3.36Å; I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.13Å
110S53.4Low49.2Very low68 Ų6856.7 Ų56.748%0.47638%0.376SS..Hα-helixtrans-64.7-41.5177.3-57.20000111G106 T112 S114G106-S110 WeakPolarHBondContact O-CA 3.43Å; G106-S110 WeakPolarHBondContact O-CB 3.37Å; G106-S110 PolarHBondContact O-N 2.95Å; G106-S110 PolarHBondContact O-OG 3.26Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 2.88Å; S110-S114 WeakPolarHBondContact O-CB 3.33Å; S110-S114 PolarHBondContact O-N 3.48Å; S110-S114 PolarHBondContact O-OG 3.4Å
111N48.9Very low49.5Very low105 Ų10555.6 Ų55.656%0.56137%0.365SS*.Hα-helixtrans-69.1-30.7176.2-68.8-9.7000111.3K107 I109 A115K107-N111 WeakPolarHBondContact O-CA 3.4Å; K107-N111 WeakPolarHBondContact O-CB 2.95Å; K107-N111 PolarHBondContact O-N 3.19Å; K107-N111 PolarHBondContact O-ND2 3.49Å; K107-N111 PolarHBondContact O-OD1 2.84Å; I109-N111 PolarHBondContact O-N 2.96Å; N111-A115 WeakPolarHBondContact O-CA 3.3Å; N111-A115 WeakPolarHBondContact O-CB 2.97Å; N111-A115 PolarHBondContact O-N 3.37Å
112T51.8Low50.2Low28 Ų2857.5 Ų57.517%0.17239%0.385CS..Hα-helixtrans-82.5-33.9176.851.10000112.5L65 A108 I109 S110 S114 S116 T124L65-T112 HydrophobicContact CD2-CG2 4.35Å; A108-T112 VanDerWaalsContact O-CB 3.22Å; A108-T112 WeakPolarHBondContact O-CB 3.17Å; A108-T112 WeakPolarHBondContact O-CG2 3.13Å; A108-T112 PolarHBondContact O-N 3.46Å; A108-T112 PolarHBondContact O-OG1 3.35Å; I109-T112 WeakPolarHBondContact CA-OG1 3.38Å; I109-T112 PolarHBondContact O-N 3.46Å; I109-T112 PolarHBondContact O-OG1 3.36Å; S110-T112 VanDerWaalsContact C-N 3.33Å; S110-T112 PolarHBondContact O-N 2.88Å; T112-S114 VanDerWaalsContact C-N 3.32Å; T112-S116 PolarHBondContact O-N 2.99Å; T112-T124 VanDerWaalsContact CB-CG2 3.48Å; T112-T124 HydrophobicContact CG2-CG2 4.33Å; T112-T124 VanDerWaalsContact OG1-CG2 3.22Å; T112-T124 WeakPolarHBondContact OG1-CG2 3.12Å
113A46.7Very low51.4Low63 Ų6357.2 Ų57.252%0.52139%0.386SS..Hα-helixtrans-65.7-36.6169.600000111.2I109 S116I109-A113 WeakPolarHBondContact O-CB 3.42Å; I109-A113 PolarHBondContact O-N 3.13Å; A113-S116 VanDerWaalsContact O-CB 3.29Å; A113-S116 WeakPolarHBondContact O-CB 3.35Å; A113-S116 PolarHBondContact O-OG 3.12Å
114S44.5Very low52.7Low79 Ų7954.3 Ų54.355%0.55238%0.375SS*.Hα-helixtrans-82.6-35.6176.5-50.20000112.7S110 T112 S116 S117S110-S114 WeakPolarHBondContact O-CB 3.33Å; S110-S114 PolarHBondContact O-N 3.48Å; S110-S114 PolarHBondContact O-OG 3.4Å; T112-S114 VanDerWaalsContact C-N 3.32Å; S114-S116 PolarHBondContact O-N 2.97Å; S114-S117 PolarHBondContact O-N 3.35Å; S114-S117 PolarHBondContact O-OG 2.67Å
115A42.7Very low54.1Low19 Ų1950.2 Ų50.216%0.15735%0.354CS..THydrogen-bonded Turntrans-81.45.217400000113.5N111 S117 S118 S119 R266N111-A115 WeakPolarHBondContact O-CA 3.3Å; N111-A115 WeakPolarHBondContact O-CB 2.97Å; N111-A115 PolarHBondContact O-N 3.37Å; A115-S117 PolarHBondContact O-N 3.23Å; A115-S118 PolarHBondContact O-N 2.66Å; A115-S118 VanDerWaalsContact O-N 3.08Å; A115-S119 PolarHBondContact O-N 3.46Å; A115-R266 PolarHBondContact O-NH2 2.87Å
116S44.6Very low55.5Low71 Ų7151.1 Ų51.150%0.49736%0.358SS..THydrogen-bonded Turntrans-50.2-20.1155.865.60000111.3T112 A113 S114 R266T112-S116 PolarHBondContact O-N 2.99Å; A113-S116 VanDerWaalsContact O-CB 3.29Å; A113-S116 WeakPolarHBondContact O-CB 3.35Å; A113-S116 PolarHBondContact O-OG 3.12Å; S114-S116 PolarHBondContact O-N 2.97Å; S116-R266 PolarHBondContact O-NH1 3.22Å; S116-R266 PolarHBondContact O-NH2 2.94Å
117S43.8Very low57.1Low84 Ų8450.3 Ų50.359%0.58735%0.35SS*.THydrogen-bonded Turntrans-88.8-34.517360.40000115.6S114 A115S114-S117 PolarHBondContact O-N 3.35Å; S114-S117 PolarHBondContact O-OG 2.67Å; A115-S117 PolarHBondContact O-N 3.23Å
118S45.2Very low58.6Low82 Ų8249.6 Ų49.657%0.57335%0.351SS*.THydrogen-bonded Turntrans-128.2-31.7-159.153.30000118.6A115A115-S118 PolarHBondContact O-N 2.66Å; A115-S118 VanDerWaalsContact O-N 3.08Å
119S37.8Very low60.1Low86 Ų8651.6 Ų51.660%0.60136%0.356SS*.SBendtrans-170116.5178.159.10000112.8A115A115-S119 PolarHBondContact O-N 3.46Å
120G45.9Very low61.7Low67 Ų6751.5 Ų51.569%0.69136%0.356SS*.  trans95.622.2160.500000119G122G120-G122 PolarHBondContact O-N 3.18Å
121G53Low63.5Low20 Ų2049.4 Ų49.421%0.20634%0.343CS..THydrogen-bonded Turntrans-63.314.5179.600000117.9G123 T124 D125G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.79Å; G121-T124 PolarHBondContact O-OG1 2.68Å; G121-D125 WeakPolarHBondContact O-CB 3.45Å; G121-D125 PolarHBondContact O-N 2.77Å
122G63.4Low65.4Low43 Ų4348.8 Ų48.844%0.44333%0.333SS..Hα-helixtrans-68.9-28.9179.400000113.7G120 L126G120-G122 PolarHBondContact O-N 3.18Å; G122-L126 VanDerWaalsContact O-CB 3.28Å; G122-L126 WeakPolarHBondContact O-CB 3.38Å; G122-L126 PolarHBondContact O-N 3.21Å
123G75.6Confident67.2Low13 Ų1354.6 Ų54.613%0.13437%0.368CS..Hα-helixtrans-68.6-48.2-179.800000113.1A64 G121 D125 L126 L127A64-G123 WeakPolarHBondContact O-CA 2.92Å; G121-G123 VanDerWaalsContact C-N 3.34Å; G121-G123 PolarHBondContact O-N 2.79Å; G123-D125 VanDerWaalsContact C-N 3.34Å; G123-L126 WeakPolarHBondContact O-CB 3.33Å; G123-L126 PolarHBondContact O-N 2.84Å; G123-L127 WeakPolarHBondContact O-CG 2.92Å; G123-L127 PolarHBondContact O-N 3.1Å; G123-L127 VanDerWaalsContact O-N 3.07Å
124T81Confident69.3Low31 Ų3154.5 Ų54.519%0.1937%0.368CS..Hα-helixtrans-68.6-34.5175.848.20000112L65 T112 G121 L127 L128L65-T124 HydrophobicContact CD2-CG2 4.32Å; T112-T124 VanDerWaalsContact CB-CG2 3.48Å; T112-T124 HydrophobicContact CG2-CG2 4.33Å; T112-T124 VanDerWaalsContact OG1-CG2 3.22Å; T112-T124 WeakPolarHBondContact OG1-CG2 3.12Å; G121-T124 PolarHBondContact O-OG1 2.68Å; T124-L127 PolarHBondContact O-N 3.32Å; T124-L128 WeakPolarHBondContact O-CB 3.41Å; T124-L128 PolarHBondContact O-N 3.3Å
125D81.1Confident71.4Confident23 Ų2354.5 Ų54.512%0.12337%0.366CS..Hα-helixtrans-60.2-48.6173.4171.249.4000111.5G121 G123 L127 L128 K129 R270G121-D125 WeakPolarHBondContact O-CB 3.45Å; G121-D125 PolarHBondContact O-N 2.77Å; G123-D125 VanDerWaalsContact C-N 3.34Å; D125-L127 PolarHBondContact O-N 3.03Å; D125-L128 PolarHBondContact O-N 3.47Å; D125-K129 VanDerWaalsContact CG-NZ 3.34Å; D125-K129 WeakPolarHBondContact O-CB 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.68Å; D125-K129 WeakPolarHBondContact OD1-CD 3.48Å; D125-K129 WeakPolarHBondContact OD1-CE 3.4Å; D125-K129 IonicContact OD1-NZ 2.91Å; D125-K129 PolarHBondContact OD1-NZ 2.72Å; D125-K129 IonicContact OD2-NZ 3.7Å; D125-K129 PolarHBondContact OD2-NZ 2.68Å; D125-R270 PolarHBondContact O-NH2 2.78Å; D125-R270 IonicContact OD1-CZ 3.26Å; D125-R270 IonicContact OD1-NE 2.62Å; D125-R270 PolarHBondContact OD1-NE 3.26Å; D125-R270 IonicContact OD1-NH2 3.11Å; D125-R270 PolarHBondContact OD1-NH2 3.08Å
126L85.5Confident73.6Confident18 Ų1854.5 Ų54.59%0.09436%0.362CS..Hα-helixtrans-54.1-49.6173.5161.261.3000111.7A64 G122 G123 K129 L130 Y197A64-L126 HydrophobicContact CB-CD2 3.56Å; A64-L126 HydrophobicContact CB-CG 4.05Å; G122-L126 VanDerWaalsContact O-CB 3.28Å; G122-L126 WeakPolarHBondContact O-CB 3.38Å; G122-L126 PolarHBondContact O-N 3.21Å; G123-L126 WeakPolarHBondContact O-CB 3.33Å; G123-L126 PolarHBondContact O-N 2.84Å; L126-K129 PolarHBondContact O-N 3.49Å; L126-L130 HydrophobicContact CD1-CD1 3.55Å; L126-L130 HydrophobicContact CD1-CG 4.13Å; L126-L130 PolarHBondContact O-N 3.24Å; L126-L130 VanDerWaalsContact O-N 3.13Å; L126-Y197 HydrophobicContact CB-CE1 4.38Å; L126-Y197 HydrophobicContact CB-CE2 3.98Å; L126-Y197 HydrophobicContact CD1-CD1 3.46Å; L126-Y197 VanDerWaalsContact CD1-CD1 3.46Å; L126-Y197 HydrophobicContact CD1-CD2 3.24Å; L126-Y197 HydrophobicContact CD1-CE1 3.67Å; L126-Y197 HydrophobicContact CD1-CE2 3.49Å; L126-Y197 VanDerWaalsContact CD1-CE2 3.49Å; L126-Y197 HydrophobicContact CD1-CG 3.19Å; L126-Y197 HydrophobicContact CD2-CE1 4.43Å; L126-Y197 HydrophobicContact CG-CD2 4.48Å; L126-Y197 HydrophobicContact CG-CE1 4.4Å; L126-Y197 HydrophobicContact CG-CE2 4.34Å
127L88.1Confident75.9Confident0 Ų058.9 Ų58.90%037%0.369CS..Hα-helixtrans-64.2-43.8-178.5-67.2169.1000112Y54 L56 V60 R61 A64 L65 G123 T124 D125 K129 L130 A131Y54-L127 HydrophobicContact CD1-CB 3.86Å; Y54-L127 HydrophobicContact CD2-CB 4.03Å; Y54-L127 HydrophobicContact CD2-CD1 3.84Å; Y54-L127 HydrophobicContact CD2-CG 4.34Å; Y54-L127 HydrophobicContact CE1-CB 4.03Å; Y54-L127 HydrophobicContact CE2-CB 4.26Å; Y54-L127 HydrophobicContact CE2-CD1 3.67Å; Y54-L127 HydrophobicContact CG-CB 3.88Å; L56-L127 HydrophobicContact CD1-CB 4.32Å; L56-L127 HydrophobicContact CD1-CD2 3.69Å; L56-L127 WeakPolarHBondContact CD1-O 3.14Å; V60-L127 HydrophobicContact CG1-CD2 4.19Å; R61-L127 HydrophobicContact CB-CD2 4.34Å; R61-L127 HydrophobicContact CG-CD1 4.2Å; R61-L127 HydrophobicContact CG-CD2 4.39Å; A64-L127 HydrophobicContact CB-CD1 3.85Å; A64-L127 HydrophobicContact CB-CD2 3.68Å; A64-L127 HydrophobicContact CB-CG 3.57Å; L65-L127 HydrophobicContact CD1-CD1 4.35Å; L65-L127 HydrophobicContact CD2-CD1 3.96Å; L65-L127 HydrophobicContact CG-CD1 3.88Å; G123-L127 WeakPolarHBondContact O-CG 2.92Å; G123-L127 PolarHBondContact O-N 3.1Å; G123-L127 VanDerWaalsContact O-N 3.07Å; T124-L127 PolarHBondContact O-N 3.32Å; D125-L127 PolarHBondContact O-N 3.03Å; L127-K129 PolarHBondContact O-N 2.8Å; L127-L130 PolarHBondContact O-N 2.98Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 2.89Å
128L87.1Confident78Confident103 Ų10359.4 Ų59.454%0.53936%0.358SS..Hα-helixtrans-67.5-36.6179.8-167.666.9000112.3T124 D125 L130 A131T124-L128 WeakPolarHBondContact O-CB 3.41Å; T124-L128 PolarHBondContact O-N 3.3Å; D125-L128 PolarHBondContact O-N 3.47Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L128-A131 PolarHBondContact O-N 3.05Å
129K86.7Confident80.1Confident60 Ų6058.8 Ų58.826%0.26134%0.343SS..Hα-helixtrans-66.6-33.6176.5-79.6172171.9161.20113D125 L126 L127 Y197 M200D125-K129 VanDerWaalsContact CG-NZ 3.34Å; D125-K129 WeakPolarHBondContact O-CB 3.25Å; D125-K129 WeakPolarHBondContact O-CG 3.33Å; D125-K129 PolarHBondContact O-N 2.68Å; D125-K129 WeakPolarHBondContact OD1-CD 3.48Å; D125-K129 WeakPolarHBondContact OD1-CE 3.4Å; D125-K129 IonicContact OD1-NZ 2.91Å; D125-K129 PolarHBondContact OD1-NZ 2.72Å; D125-K129 IonicContact OD2-NZ 3.7Å; D125-K129 PolarHBondContact OD2-NZ 2.68Å; L126-K129 PolarHBondContact O-N 3.49Å; L127-K129 PolarHBondContact O-N 2.8Å; K129-Y197 HydrophobicContact CD-CE2 4.18Å; K129-M200 HydrophobicContact CB-SD 4.16Å; K129-M200 HydrophobicContact CD-SD 3.96Å; K129-M200 HydrophobicContact CG-SD 4.34Å
130L88.9Confident82.7Confident19 Ų1955.6 Ų55.610%0.09932%0.319CS..Hα-helixtrans-87.2-22.9177.9-69.9179.5000113.3L56 V60 L126 L127 L128 L193L56-L130 HydrophobicContact CD1-CB 3.95Å; L56-L130 HydrophobicContact CD2-CB 4.09Å; V60-L130 HydrophobicContact CG1-CD1 3.85Å; L126-L130 HydrophobicContact CD1-CD1 3.55Å; L126-L130 HydrophobicContact CD1-CG 4.13Å; L126-L130 PolarHBondContact O-N 3.24Å; L126-L130 VanDerWaalsContact O-N 3.13Å; L127-L130 PolarHBondContact O-N 2.98Å; L128-L130 VanDerWaalsContact C-N 3.34Å; L130-L193 HydrophobicContact CD1-CB 4.44Å
131A91Very high84.8Confident24 Ų2457 Ų5720%0.19830%0.303CS..SBendtrans-58.4139.3-177.600000111.7Y54 L127 L128Y54-A131 WeakPolarHBondContact O-CB 3.26Å; L127-A131 VanDerWaalsContact O-CB 3.27Å; L127-A131 WeakPolarHBondContact O-CB 3.39Å; L127-A131 PolarHBondContact O-N 2.89Å; L128-A131 PolarHBondContact O-N 3.05Å
132R89.5Confident86.7Confident91 Ų9157.1 Ų57.134%0.34330%0.301SS..  trans-85129.8176.8-64.3-175.370.4129.38.7109.7Y136R132-Y136 VanDerWaalsContact NH2-CD2 3.26Å
133T89.6Confident88Confident151 Ų15157.6 Ų57.693%0.92629%0.291SS*.SBendtrans-78.5-34.9174.954.10000112.8
134A90.1Very high88.8Confident61 Ų6157.8 Ų57.850%0.50429%0.289SS..SBendtrans-104.2142.3-178.700000112.7Y136A134-Y136 PolarHBondContact O-N 3.42Å
135P89Confident89.4Confident78 Ų7856.4 Ų56.451%0.50628%0.28SS..  trans-64.4127.4177.726.3-34.1000111.5Y137P135-Y137 HydrophobicContact CB-CE1 4.01Å; P135-Y137 HydrophobicContact CB-CE2 4.06Å; P135-Y137 HydrophobicContact CG-CD2 4.33Å; P135-Y137 HydrophobicContact CG-CE1 4.28Å; P135-Y137 HydrophobicContact CG-CE2 3.54Å; P135-Y137 WeakPolarHBondContact CG-OH 3.49Å; P135-Y137 PolarHBondContact O-N 3.07Å; P135-Y137 VanDerWaalsContact O-N 3.12Å
136Y89.3Confident89.9Confident19 Ų1958.4 Ų58.48%0.07530%0.296CS..  trans-84.384.7177.9-172.1-120000111.6R132 A134 R138 R139 G474 I475R132-Y136 VanDerWaalsContact NH2-CD2 3.26Å; A134-Y136 PolarHBondContact O-N 3.42Å; Y136-R138 VanDerWaalsContact C-N 3.28Å; Y136-R138 HydrophobicContact CD2-CB 4.38Å; Y136-R138 HydrophobicContact CD2-CG 4.45Å; Y136-R138 HydrophobicContact CE1-CB 3.92Å; Y136-R138 HydrophobicContact CE2-CB 3.77Å; Y136-R138 HydrophobicContact CE2-CG 3.82Å; Y136-R138 PolarHBondContact O-N 3.38Å; Y136-R139 HydrophobicContact CD1-CB 4.14Å; Y136-R139 VanDerWaalsContact O-CG 3.25Å; Y136-R139 WeakPolarHBondContact O-CG 3.3Å; Y136-R139 PolarHBondContact O-N 3.46Å; Y136-R139 PolarHBondContact O-NE 2.9Å; Y136-G474 WeakPolarHBondContact OH-CA 3.27Å; Y136-I475 HydrophobicContact CD1-CB 4.41Å; Y136-I475 HydrophobicContact CD1-CD1 4.15Å; Y136-I475 HydrophobicContact CE1-CB 4.01Å; Y136-I475 HydrophobicContact CE1-CG1 4.39Å
137Y91.5Very high90.3Very high164 Ų16462.6 Ų62.664%0.64331%0.314SS*.G310 helixtrans-71.2-14.9-177.7-65.8-56.7000114.9P135 R139 N140P135-Y137 HydrophobicContact CB-CE1 4.01Å; P135-Y137 HydrophobicContact CB-CE2 4.06Å; P135-Y137 HydrophobicContact CG-CD2 4.33Å; P135-Y137 HydrophobicContact CG-CE1 4.28Å; P135-Y137 HydrophobicContact CG-CE2 3.54Å; P135-Y137 WeakPolarHBondContact CG-OH 3.49Å; P135-Y137 PolarHBondContact O-N 3.07Å; P135-Y137 VanDerWaalsContact O-N 3.12Å; Y137-R139 PolarHBondContact O-N 3.1Å; Y137-R139 VanDerWaalsContact O-N 3.14Å; Y137-N140 WeakPolarHBondContact O-CB 3.29Å; Y137-N140 PolarHBondContact O-N 3.29Å
138R89.5Confident90.6Very high95 Ų9567.4 Ų67.436%0.35833%0.332SS..G310 helixtrans-60.4-24.1174.2-58.1-169179.4173.75.2112.2Y136 N140 R141 D471Y136-R138 VanDerWaalsContact C-N 3.28Å; Y136-R138 HydrophobicContact CD2-CB 4.38Å; Y136-R138 HydrophobicContact CD2-CG 4.45Å; Y136-R138 HydrophobicContact CE1-CB 3.92Å; Y136-R138 HydrophobicContact CE2-CB 3.77Å; Y136-R138 HydrophobicContact CE2-CG 3.82Å; Y136-R138 PolarHBondContact O-N 3.38Å; R138-N140 PolarHBondContact O-N 3.14Å; R138-R141 WeakPolarHBondContact O-CB 3.39Å; R138-R141 WeakPolarHBondContact O-CG 3.38Å; R138-R141 PolarHBondContact O-N 3.41Å; R138-D471 IonicContact CZ-OD2 2.64Å; R138-D471 IonicContact NH1-OD1 2.61Å; R138-D471 IonicContact NH1-OD2 2.8Å; R138-D471 PolarHBondContact NH1-OD2 2.95Å; R138-D471 IonicContact NH2-OD2 3.14Å; R138-D471 PolarHBondContact NH2-OD2 2.98Å
139R88.3Confident90.9Very high69 Ų6966 Ų6626%0.2633%0.328SS..G310 helixtrans-64.3-12.6171.289.4177.878.6177.6-1.9114.5Y136 Y137 Y477Y136-R139 HydrophobicContact CD1-CB 4.14Å; Y136-R139 VanDerWaalsContact O-CG 3.25Å; Y136-R139 WeakPolarHBondContact O-CG 3.3Å; Y136-R139 PolarHBondContact O-N 3.46Å; Y136-R139 PolarHBondContact O-NE 2.9Å; Y137-R139 PolarHBondContact O-N 3.1Å; Y137-R139 VanDerWaalsContact O-N 3.14Å; R139-Y477 PolarHBondContact O-OH 3.15Å
140N91.9Very high91.2Very high19 Ų1970.5 Ų70.510%0.10235%0.347CS..G310 helixtrans-102.20.6-178.5-60.5-21.8000111.5P23 A27 R28 K30 Y137 R138P23-N140 HydrophobicContact CB-CB 4.41Å; P23-N140 HydrophobicContact CG-CB 4.33Å; A27-N140 CarbonylContact C-O 3.58Å; A27-N140 WeakPolarHBondContact CA-O 3.33Å; A27-N140 HydrophobicContact CB-CB 4.13Å; A27-N140 WeakPolarHBondContact CB-O 3.4Å; R28-N140 PolarHBondContact N-O 3.03Å; K30-N140 VanDerWaalsContact CD-OD1 3.3Å; K30-N140 WeakPolarHBondContact CD-OD1 3.25Å; K30-N140 PolarHBondContact NZ-OD1 3.3Å; Y137-N140 WeakPolarHBondContact O-CB 3.29Å; Y137-N140 PolarHBondContact O-N 3.29Å; R138-N140 PolarHBondContact O-N 3.14Å
141R90.8Very high91.4Very high95 Ų9572.8 Ų72.836%0.35838%0.376SS..SBendtrans-66.7150.1-178.8-71.9-178.5-180179.3-1.7111.1R138 Y477R138-R141 WeakPolarHBondContact O-CB 3.39Å; R138-R141 WeakPolarHBondContact O-CG 3.38Å; R138-R141 PolarHBondContact O-N 3.41Å; R141-Y477 PolarHBondContact O-OH 3.04Å
142P92.5Very high91.5Very high24 Ų2477.6 Ų77.616%0.15639%0.394CS..PPolyproline II helixtrans-53.9155.5170.3-24.434.3000112.5K26 P160 R162K26-P142 WeakPolarHBondContact O-CD 3.36Å; P142-P160 WeakPolarHBondContact CB-O 3.36Å; P142-P160 WeakPolarHBondContact CG-O 3.38Å; P142-R162 HydrophobicContact CB-CG 4.29Å; P142-R162 WeakPolarHBondContact O-CD 3.22Å
143H91.4Very high91.7Very high53 Ų5374.5 Ų74.525%0.24539%0.386CS..PPolyproline II helixtrans-65.4161.7168.7-69.7-60.1000110.7R28 Y161 R162 Y477R28-H143 VanDerWaalsContact CZ-NE2 3.29Å; R28-H143 PolarHBondContact NH1-CE1 3.33Å; R28-H143 VanDerWaalsContact NH1-CE1 3.27Å; R28-H143 PolarHBondContact NH1-NE2 3.47Å; H143-Y161 HydrophobicContact CB-CD1 4.19Å; H143-Y161 WeakPolarHBondContact O-CA 3.42Å; H143-Y161 WeakPolarHBondContact O-CB 3.43Å; H143-R162 PolarHBondContact O-N 3.29Å; H143-Y477 AromaticContact CE1-CD1 3.52Å; H143-Y477 AromaticContact CE1-CE1 3.66Å
144I92.1Very high91.9Very high17 Ų1779.2 Ų79.29%0.08739%0.387CS..BIsolated β-bridgetrans-71.6141.2173.9-62.9153.2000108.7S146 V149 R162 E164 P166 Q480I144-S146 PolarHBondContact O-N 3.36Å; I144-V149 HydrophobicContact CG2-CG2 3.67Å; I144-R162 WeakPolarHBondContact CA-O 3.48Å; I144-E164 HydrophobicContact CD1-CG 4.33Å; I144-E164 HydrophobicContact CG1-CG 3.82Å; I144-E164 VanDerWaalsContact CG2-O 3.22Å; I144-E164 WeakPolarHBondContact CG2-O 3.47Å; I144-P166 VanDerWaalsContact CD1-CA 3.46Å; I144-P166 HydrophobicContact CD1-CB 3.99Å; I144-P166 HydrophobicContact CD1-CG 4.23Å; I144-P166 HydrophobicContact CG2-CG 4.04Å; I144-Q480 VanDerWaalsContact CD1-NE2 3.31Å
145C94.1Very high92Very high1 Ų181.1 Ų81.11%0.00738%0.381CS..  trans-72.9111.6179.4-171.30000109.9F147 W148 V149 R155 C159 Y161 R162C145-F147 PolarHBondContact O-N 3.18Å; C145-W148 HydrophobicContact CB-CB 3.69Å; C145-W148 WeakPolarHBondContact O-CB 3.01Å; C145-W148 PolarHBondContact O-N 2.88Å; C145-V149 WeakPolarHBondContact O-CG2 2.9Å; C145-V149 PolarHBondContact O-N 3Å; C145-V149 VanDerWaalsContact O-N 3.09Å; C145-R155 PolarHBondContact SG-NH2 2.92Å; C145-C159 VanDerWaalsContact SG-SG 3.64Å; C145-Y161 HydrophobicContact CB-CG 4.49Å; C145-R162 PolarHBondContact N-O 3.39Å
146S91.9Very high92.1Very high66 Ų6679.2 Ų79.246%0.46238%0.375SS..Hα-helixtrans-57.1-36.9175.453.30000112.8I144 W148 V149 K150I144-S146 PolarHBondContact O-N 3.36Å; S146-W148 VanDerWaalsContact C-N 3.35Å; S146-V149 PolarHBondContact O-N 3.31Å; S146-K150 WeakPolarHBondContact O-CG 2.98Å; S146-K150 PolarHBondContact O-N 3.06Å
147F94Very high92.1Very high105 Ų10588 Ų8846%0.46142%0.417SS..Hα-helixtrans-67.3-34.3175.6-64.4-81.9000112.6C145 K150 G151 E152 C153C145-F147 PolarHBondContact O-N 3.18Å; F147-K150 PolarHBondContact O-N 3.31Å; F147-G151 PolarHBondContact O-N 3.18Å; F147-G151 VanDerWaalsContact O-N 3.08Å; F147-E152 PolarHBondContact O-N 3Å; F147-C153 HydrophobicContact CB-CB 4.05Å; F147-C153 PolarHBondContact O-N 3.42Å
148W94.3Very high92.2Very high102 Ų10288.2 Ų88.239%0.38642%0.424SS..Hα-helixtrans-70.5-39.5177.2-179.985.3000111.2C145 S146 K150 G151 C153 H163 E164C145-W148 HydrophobicContact CB-CB 3.69Å; C145-W148 WeakPolarHBondContact O-CB 3.01Å; C145-W148 PolarHBondContact O-N 2.88Å; S146-W148 VanDerWaalsContact C-N 3.35Å; W148-K150 PolarHBondContact O-N 3.07Å; W148-G151 PolarHBondContact O-N 3.18Å; W148-C153 HydrophobicContact CB-CB 3.9Å; W148-H163 WeakPolarHBondContact CB-CD2 3.43Å; W148-H163 AromaticContact CD1-CD2 3.53Å; W148-H163 AromaticContact CD1-CE1 3.91Å; W148-H163 AromaticContact CD1-CG 3.32Å; W148-H163 AromaticContact CD1-ND1 3.6Å; W148-H163 AromaticContact CD1-NE2 3.9Å; W148-H163 HydrophobicContact CD2-CB 3.84Å; W148-H163 HydrophobicContact CG-CB 3.83Å; W148-H163 AromaticContact CG-CD2 3.39Å; W148-H163 AromaticContact CG-CG 3.58Å; W148-H163 AromaticContact CG-NE2 3.98Å; W148-H163 HydrophobicContact CZ2-CB 4.3Å; W148-H163 AromaticContact NE1-CG 3.74Å; W148-E164 WeakPolarHBondContact CZ3-O 3.46Å
149V92.5Very high92.3Very high74 Ų7484.4 Ų84.445%0.44841%0.412SS..Hα-helixtrans-60.3-34.2174.6178.40000111.5I144 C145 S146 P166I144-V149 HydrophobicContact CG2-CG2 3.67Å; C145-V149 WeakPolarHBondContact O-CG2 2.9Å; C145-V149 PolarHBondContact O-N 3Å; C145-V149 VanDerWaalsContact O-N 3.09Å; S146-V149 PolarHBondContact O-N 3.31Å; V149-P166 HydrophobicContact CG1-CG 4.17Å; V149-P166 HydrophobicContact CG2-CG 3.5Å; V149-P166 VanDerWaalsContact CG2-CG 3.5Å
150K93.3Very high92.4Very high153 Ų15385.2 Ų85.267%0.66543%0.426SS*.THydrogen-bonded Turntrans-80.5-11.4173.3-65.8179-177.8-173.80114.4S146 F147 W148 E152S146-K150 WeakPolarHBondContact O-CG 2.98Å; S146-K150 PolarHBondContact O-N 3.06Å; F147-K150 PolarHBondContact O-N 3.31Å; W148-K150 PolarHBondContact O-N 3.07Å; K150-E152 HydrophobicContact CB-CG 4.38Å
151G92.1Very high92.5Very high68 Ų6889.5 Ų89.570%0.70144%0.441SS*.THydrogen-bonded Turntrans81.910.7-174.200000115.5F147 W148F147-G151 PolarHBondContact O-N 3.18Å; F147-G151 VanDerWaalsContact O-N 3.08Å; W148-G151 PolarHBondContact O-N 3.18Å
152E94Very high92.6Very high124 Ų12487.6 Ų87.658%0.57943%0.434SS*.  trans-108.310.9-173.1-62.2177.4159.900113.6F147 K150 R154F147-E152 PolarHBondContact O-N 3Å; K150-E152 HydrophobicContact CB-CG 4.38Å; E152-R154 PolarHBondContact O-N 3.02Å
153C93.4Very high92.6Very high26 Ų2689.7 Ų89.718%0.17644%0.442CS..  trans-72.498.4-177.5-169.90000112.2F147 W148 R155 H163F147-C153 HydrophobicContact CB-CB 4.05Å; F147-C153 PolarHBondContact O-N 3.42Å; W148-C153 HydrophobicContact CB-CB 3.9Å; C153-R155 VanDerWaalsContact C-N 3.29Å; C153-R155 PolarHBondContact O-N 3.1Å; C153-H163 PolarHBondContact SG-NE2 2.88Å
154R94.2Very high92.6Very high251 Ų25190.3 Ų90.395%0.94745%0.445SS*.THydrogen-bonded Turntrans-77.1-8.7176.3-60.7-172.9-177.8-164.80.3114.9E152 G156E152-R154 PolarHBondContact O-N 3.02Å; R154-G156 VanDerWaalsContact C-N 3.31Å
155R92.9Very high92.4Very high101 Ų10196.4 Ų96.438%0.38147%0.471SS..THydrogen-bonded Turntrans-78.7-13.5-179.2-66-176.9-63.9-156.4-5113.5C145 C153 E157 E158 C159C145-R155 PolarHBondContact SG-NH2 2.92Å; C153-R155 VanDerWaalsContact C-N 3.29Å; C153-R155 PolarHBondContact O-N 3.1Å; R155-E157 PolarHBondContact O-N 2.96Å; R155-E158 WeakPolarHBondContact O-CB 3.43Å; R155-E158 PolarHBondContact O-N 3.14Å; R155-C159 HydrophobicContact CB-CB 3.78Å; R155-C159 PolarHBondContact NE-SG 3.19Å; R155-C159 VanDerWaalsContact NE-SG 3.42Å; R155-C159 PolarHBondContact NH2-SG 2.86Å; R155-C159 PolarHBondContact O-N 3.49Å
156G89.6Confident92.2Very high37 Ų3798.1 Ų98.138%0.38148%0.482SS..G310 helixtrans52.1-129.4178.500000113R154 E158 C159 H163R154-G156 VanDerWaalsContact C-N 3.31Å; G156-E158 VanDerWaalsContact C-N 3.32Å; G156-E158 PolarHBondContact O-N 2.92Å; G156-C159 VanDerWaalsContact O-CB 3.28Å; G156-C159 WeakPolarHBondContact O-CB 3.34Å; G156-C159 PolarHBondContact O-N 2.94Å; G156-H163 PolarHBondContact O-CE1 2.6Å
157E89.9Confident91.8Very high203 Ų20398.1 Ų98.195%0.94948%0.479SS*.G310 helixtrans-73.4-17179.164.4-168.3172.700114.8R155 C159R155-E157 PolarHBondContact O-N 2.96Å; E157-C159 PolarHBondContact O-N 3.39Å
158E92.6Very high91.4Very high170 Ų17097 Ų9779%0.79448%0.478SS*.G310 helixtrans-77.9-11.3175.3-160-173.1171.700111.8R155 G156 P160R155-E158 WeakPolarHBondContact O-CB 3.43Å; R155-E158 PolarHBondContact O-N 3.14Å; G156-E158 VanDerWaalsContact C-N 3.32Å; G156-E158 PolarHBondContact O-N 2.92Å; E158-P160 VanDerWaalsContact O-CD 3.25Å; E158-P160 WeakPolarHBondContact O-CD 3.22Å
159C92.6Very high90.8Very high15 Ų1596.9 Ų96.910%0.10149%0.49CS..  trans-61.2118.6-178.8-169.10000111.2C145 R155 G156 E157 Y161 H163C145-C159 VanDerWaalsContact SG-SG 3.64Å; R155-C159 HydrophobicContact CB-CB 3.78Å; R155-C159 PolarHBondContact NE-SG 3.19Å; R155-C159 VanDerWaalsContact NE-SG 3.42Å; R155-C159 PolarHBondContact NH2-SG 2.86Å; R155-C159 PolarHBondContact O-N 3.49Å; G156-C159 VanDerWaalsContact O-CB 3.28Å; G156-C159 WeakPolarHBondContact O-CB 3.34Å; G156-C159 PolarHBondContact O-N 2.94Å; E157-C159 PolarHBondContact O-N 3.39Å; C159-Y161 PolarHBondContact O-N 2.66Å; C159-Y161 VanDerWaalsContact O-N 3.13Å; C159-H163 WeakPolarHBondContact CB-NE2 3.44Å; C159-H163 PolarHBondContact SG-NE2 3.25Å
160P90.7Very high90.4Very high86 Ų86100.7 Ų100.756%0.55851%0.508SS*.SBendtrans-73-5.2179.128.5-34.5000113.4P142 E158P142-P160 WeakPolarHBondContact CB-O 3.36Å; P142-P160 WeakPolarHBondContact CG-O 3.38Å; E158-P160 VanDerWaalsContact O-CD 3.25Å; E158-P160 WeakPolarHBondContact O-CD 3.22Å
161Y93.6Very high90Very high108 Ų10896.1 Ų96.142%0.42449%0.491SS..SBendtrans-97.9157177.9-63.2-89.1000110.4H143 C145 C159H143-Y161 HydrophobicContact CB-CD1 4.19Å; H143-Y161 WeakPolarHBondContact O-CA 3.42Å; H143-Y161 WeakPolarHBondContact O-CB 3.43Å; C145-Y161 HydrophobicContact CB-CG 4.49Å; C159-Y161 PolarHBondContact O-N 2.66Å; C159-Y161 VanDerWaalsContact O-N 3.13Å
162R92.3Very high89.4Confident56 Ų5697.7 Ų97.721%0.21149%0.489CS..BIsolated β-bridgetrans-77.7138-177.2-67.6162.278.1-167.1-0.3111.6P142 H143 I144 C145 E164P142-R162 HydrophobicContact CB-CG 4.29Å; P142-R162 WeakPolarHBondContact O-CD 3.22Å; H143-R162 PolarHBondContact O-N 3.29Å; I144-R162 WeakPolarHBondContact CA-O 3.48Å; C145-R162 PolarHBondContact N-O 3.39Å; R162-E164 HydrophobicContact CB-CG 4.01Å; R162-E164 IonicContact CZ-OE1 2.59Å; R162-E164 IonicContact CZ-OE2 3.92Å; R162-E164 IonicContact NE-OE1 2.72Å; R162-E164 PolarHBondContact NE-OE1 2.84Å; R162-E164 VanDerWaalsContact NE-OE1 3.15Å; R162-E164 IonicContact NE-OE2 3.15Å; R162-E164 PolarHBondContact NE-OE2 3.27Å; R162-E164 IonicContact NH1-OE1 3.32Å; R162-E164 PolarHBondContact NH1-OE1 2.95Å; R162-E164 VanDerWaalsContact NH1-OE1 3.14Å; R162-E164 IonicContact NH2-OE1 2.94Å; R162-E164 PolarHBondContact NH2-OE1 2.62Å; R162-E164 IonicContact NH2-OE2 3.64Å; R162-E164 PolarHBondContact NH2-OE2 3.21Å
163H93.6Very high88.7Confident68 Ų6892.4 Ų92.432%0.31547%0.465SS..  trans-101.174.5173.1-70.4175.6000109.1W148 C153 G156 C159W148-H163 WeakPolarHBondContact CB-CD2 3.43Å; W148-H163 AromaticContact CD1-CD2 3.53Å; W148-H163 AromaticContact CD1-CE1 3.91Å; W148-H163 AromaticContact CD1-CG 3.32Å; W148-H163 AromaticContact CD1-ND1 3.6Å; W148-H163 AromaticContact CD1-NE2 3.9Å; W148-H163 HydrophobicContact CD2-CB 3.84Å; W148-H163 HydrophobicContact CG-CB 3.83Å; W148-H163 AromaticContact CG-CD2 3.39Å; W148-H163 AromaticContact CG-CG 3.58Å; W148-H163 AromaticContact CG-NE2 3.98Å; W148-H163 HydrophobicContact CZ2-CB 4.3Å; W148-H163 AromaticContact NE1-CG 3.74Å; C153-H163 PolarHBondContact SG-NE2 2.88Å; G156-H163 PolarHBondContact O-CE1 2.6Å; C159-H163 WeakPolarHBondContact CB-NE2 3.44Å; C159-H163 PolarHBondContact SG-NE2 3.25Å
164E90.6Very high87.9Confident65 Ų6591.5 Ų91.530%0.30446%0.458SS..SBendtrans-144.5158-179.765.9-178.1-152.900109.9I144 W148 R162 P166I144-E164 HydrophobicContact CD1-CG 4.33Å; I144-E164 HydrophobicContact CG1-CG 3.82Å; I144-E164 VanDerWaalsContact CG2-O 3.22Å; I144-E164 WeakPolarHBondContact CG2-O 3.47Å; W148-E164 WeakPolarHBondContact CZ3-O 3.46Å; R162-E164 HydrophobicContact CB-CG 4.01Å; R162-E164 IonicContact CZ-OE1 2.59Å; R162-E164 IonicContact CZ-OE2 3.92Å; R162-E164 IonicContact NE-OE1 2.72Å; R162-E164 PolarHBondContact NE-OE1 2.84Å; R162-E164 VanDerWaalsContact NE-OE1 3.15Å; R162-E164 IonicContact NE-OE2 3.15Å; R162-E164 PolarHBondContact NE-OE2 3.27Å; R162-E164 IonicContact NH1-OE1 3.32Å; R162-E164 PolarHBondContact NH1-OE1 2.95Å; R162-E164 VanDerWaalsContact NH1-OE1 3.14Å; R162-E164 IonicContact NH2-OE1 2.94Å; R162-E164 PolarHBondContact NH2-OE1 2.62Å; R162-E164 IonicContact NH2-OE2 3.64Å; R162-E164 PolarHBondContact NH2-OE2 3.21Å; E164-P166 WeakPolarHBondContact O-CD 3.34Å
165K89.2Confident86.9Confident146 Ų14684.5 Ų84.564%0.63544%0.44SS*.PPolyproline II helixtrans-61.4127.4179.2-164.1-170.9170.9-155.60109.9D168K165-D168 WeakPolarHBondContact CE-OD1 3.46Å; K165-D168 IonicContact NZ-OD1 2.77Å; K165-D168 PolarHBondContact NZ-OD1 3.24Å; K165-D168 IonicContact NZ-OD2 3.98Å
166P88.5Confident86.3Confident36 Ų3680.1 Ų80.123%0.23442%0.423CS..PPolyproline II helixtrans-56.6152.4166.2-19.830.7000111.8I144 V149 E164I144-P166 VanDerWaalsContact CD1-CA 3.46Å; I144-P166 HydrophobicContact CD1-CB 3.99Å; I144-P166 HydrophobicContact CD1-CG 4.23Å; I144-P166 HydrophobicContact CG2-CG 4.04Å; V149-P166 HydrophobicContact CG1-CG 4.17Å; V149-P166 HydrophobicContact CG2-CG 3.5Å; V149-P166 VanDerWaalsContact CG2-CG 3.5Å; E164-P166 WeakPolarHBondContact O-CD 3.34Å
167T84.9Confident86.1Confident66 Ų6681.5 Ų81.541%0.40542%0.422SS..PPolyproline II helixtrans-57.4141.5166.3-35.30000109.1D171 H476T167-D171 HydrophobicContact CG2-CB 4.2Å; T167-H476 WeakPolarHBondContact CB-CD2 3.44Å; T167-H476 WeakPolarHBondContact CB-NE2 3.17Å; T167-H476 WeakPolarHBondContact CG2-CD2 3.14Å; T167-H476 PolarHBondContact OG1-CD2 3.47Å; T167-H476 PolarHBondContact OG1-NE2 2.81Å
168D84.1Confident86Confident82 Ų8274 Ų7444%0.43939%0.389SS..PPolyproline II helixtrans-62135.2178.7-60.8-51.2000109.9K165 D170 D171K165-D168 WeakPolarHBondContact CE-OD1 3.46Å; K165-D168 IonicContact NZ-OD1 2.77Å; K165-D168 PolarHBondContact NZ-OD1 3.24Å; K165-D168 IonicContact NZ-OD2 3.98Å; D168-D170 PolarHBondContact O-N 2.85Å; D168-D171 WeakPolarHBondContact O-CB 3.29Å; D168-D171 PolarHBondContact O-N 3.48Å; D168-D171 VanDerWaalsContact O-N 3.16Å
169P83.1Confident85.8Confident100 Ų10070.4 Ų70.465%0.64937%0.368SS*.THydrogen-bonded Turntrans-65.1-22.2-177.627.1-35.2000112.8D171 S174P169-D171 PolarHBondContact O-N 2.91Å; P169-S174 PolarHBondContact O-OG 3.22Å
170D82.8Confident85.7Confident153 Ų15371.7 Ų71.782%0.81837%0.373SS*.THydrogen-bonded Turntrans-77.2-8.7178.3-55.1-46.6000113D168 P172D168-D170 PolarHBondContact O-N 2.85Å; D170-P172 WeakPolarHBondContact O-CD 3.32Å
171D84.5Confident85.7Confident58 Ų5868.8 Ų68.831%0.3135%0.351SS..SBendtrans-68.3123.2172.4-177.41.9000108.9T167 D168 P169 L173 S174T167-D171 HydrophobicContact CG2-CB 4.2Å; D168-D171 WeakPolarHBondContact O-CB 3.29Å; D168-D171 PolarHBondContact O-N 3.48Å; D168-D171 VanDerWaalsContact O-N 3.16Å; P169-D171 PolarHBondContact O-N 2.91Å; D171-L173 PolarHBondContact O-N 3.03Å; D171-L173 WeakPolarHBondContact OD1-CB 3.17Å; D171-L173 PolarHBondContact OD1-N 3.48Å; D171-S174 WeakPolarHBondContact O-CB 3.2Å; D171-S174 PolarHBondContact O-N 2.9Å; D171-S174 PolarHBondContact O-OG 3.14Å
172P79.4Confident85.6Confident101 Ų10163.7 Ų63.766%0.65633%0.331SS*.THydrogen-bonded Turntrans-58.3-19.7175.924.8-36.6000112.9D170 S174 P188D170-P172 WeakPolarHBondContact O-CD 3.32Å; P172-S174 PolarHBondContact O-N 3.31Å; P172-P188 WeakPolarHBondContact O-CB 3.45Å; P172-P188 VanDerWaalsContact O-CG 3.27Å; P172-P188 WeakPolarHBondContact O-CG 3.39Å
173L81.1Confident85.4Confident13 Ų1362.7 Ų62.77%0.06833%0.328CS..THydrogen-bonded Turntrans-72.9-10.2174.8-147.264.5000113.2D171 Q176 P188 V189 G474 H476D171-L173 PolarHBondContact O-N 3.03Å; D171-L173 WeakPolarHBondContact OD1-CB 3.17Å; D171-L173 PolarHBondContact OD1-N 3.48Å; L173-Q176 PolarHBondContact O-NE2 3.01Å; L173-P188 HydrophobicContact CD1-CB 4.03Å; L173-P188 HydrophobicContact CD1-CG 4.29Å; L173-V189 HydrophobicContact CD1-CB 4.22Å; L173-V189 HydrophobicContact CD1-CG2 3.57Å; L173-V189 HydrophobicContact CG-CG2 4.29Å; L173-G474 WeakPolarHBondContact CD2-O 3.47Å; L173-H476 HydrophobicContact CB-CB 4.21Å; L173-H476 HydrophobicContact CD2-CB 3.82Å; L173-H476 HydrophobicContact CG-CB 3.76Å; L173-H476 WeakPolarHBondContact O-CB 3.16Å; L173-H476 VanDerWaalsContact O-CG 3.22Å; L173-H476 PolarHBondContact O-ND1 2.85Å
174S75.6Confident85.1Confident7 Ų760.4 Ų60.45%0.04932%0.323CS..SBendtrans-76-38.1-172.681.10000113.5P169 D171 P172 Q176 H476 S479P169-S174 PolarHBondContact O-OG 3.22Å; D171-S174 WeakPolarHBondContact O-CB 3.2Å; D171-S174 PolarHBondContact O-N 2.9Å; D171-S174 PolarHBondContact O-OG 3.14Å; P172-S174 PolarHBondContact O-N 3.31Å; S174-Q176 PolarHBondContact O-N 3.18Å; S174-H476 WeakPolarHBondContact CA-CE1 3.47Å; S174-H476 WeakPolarHBondContact CA-ND1 3.19Å; S174-S479 PolarHBondContact O-N 2.83Å
175D74.4Confident84.8Confident103 Ų10359.7 Ų59.755%0.55132%0.319SS*.  trans-86.997.4177.8-78.3-32.2000110.9
176Q79.2Confident84.5Confident9 Ų959 Ų594%0.04232%0.323CS..  trans-122.795.2177.1-76.1179.84400111L173 S174 P188 H476 P478L173-Q176 PolarHBondContact O-NE2 3.01Å; S174-Q176 PolarHBondContact O-N 3.18Å; Q176-P188 HydrophobicContact CG-CG 4.29Å; Q176-H476 PolarHBondContact NE2-O 3.41Å; Q176-H476 PolarHBondContact OE1-O 3.37Å; Q176-P478 HydrophobicContact CB-CB 4.32Å; Q176-P478 HydrophobicContact CB-CG 3.96Å; Q176-P478 VanDerWaalsContact O-CB 3.3Å; Q176-P478 WeakPolarHBondContact O-CB 3.45Å; Q176-P478 WeakPolarHBondContact O-CG 3.13Å
177N86.3Confident84.5Confident67 Ų6757.5 Ų57.536%0.35831%0.312SS..  trans-75136.4171.1-172.4-2.4000110.5R179 D180 R181N177-R179 VanDerWaalsContact C-N 3.31Å; N177-R179 PolarHBondContact O-N 2.92Å; N177-R179 PolarHBondContact OD1-N 3.22Å; N177-D180 HydrophobicContact CB-CB 4.03Å; N177-D180 WeakPolarHBondContact CB-OD2 3.38Å; N177-D180 PolarHBondContact ND2-OD1 2.84Å; N177-D180 PolarHBondContact ND2-OD2 3.18Å; N177-D180 VanDerWaalsContact ND2-OD2 3.13Å; N177-R181 WeakPolarHBondContact O-CG 3.4Å; N177-R181 PolarHBondContact O-N 3.45Å
178L87.4Confident84.7Confident46 Ų4655.7 Ų55.724%0.24130%0.302CS..Hα-helixtrans-66.1-34.9-179.3-87.774.3000112.2K10 E33 L49 Y182 P478K10-L178 HydrophobicContact CB-CD2 4.12Å; K10-L178 HydrophobicContact CG-CD2 4.17Å; E33-L178 HydrophobicContact CB-CD2 4.41Å; L49-L178 HydrophobicContact CD1-CB 4.37Å; L49-L178 HydrophobicContact CD1-CG 4.31Å; L178-Y182 WeakPolarHBondContact O-CB 3.19Å; L178-Y182 PolarHBondContact O-N 2.68Å; L178-P478 HydrophobicContact CD1-CG 4.12Å
179R88.9Confident84.9Confident93 Ų9352.1 Ų52.135%0.35128%0.283SS..Hα-helixtrans-68.2-45.9-179.8-69.4-177175-171.2-1.4110.5K10 I11 D13 N177 R181 Y182 Y183K10-R179 PolarHBondContact O-NE 3.23Å; I11-R179 HydrophobicContact CD1-CG 4.22Å; D13-R179 IonicContact OD1-NH2 2.74Å; D13-R179 PolarHBondContact OD1-NH2 3.1Å; D13-R179 IonicContact OD2-NH2 2.75Å; D13-R179 PolarHBondContact OD2-NH2 2.89Å; N177-R179 VanDerWaalsContact C-N 3.31Å; N177-R179 PolarHBondContact O-N 2.92Å; N177-R179 PolarHBondContact OD1-N 3.22Å; R179-R181 PolarHBondContact O-N 3.23Å; R179-Y182 PolarHBondContact O-N 2.92Å; R179-Y183 HydrophobicContact CB-CD2 4.29Å; R179-Y183 HydrophobicContact CB-CE2 4.28Å; R179-Y183 WeakPolarHBondContact O-CD2 3.35Å; R179-Y183 PolarHBondContact O-N 3.05Å
180D89.3Confident85.3Confident42 Ų4247.4 Ų47.423%0.22525%0.252CS..Hα-helixtrans-61.2-45.1-178.4-56.2-3.9000110.8N177 Y182 Y183 G184 H185N177-D180 HydrophobicContact CB-CB 4.03Å; N177-D180 WeakPolarHBondContact CB-OD2 3.38Å; N177-D180 PolarHBondContact ND2-OD1 2.84Å; N177-D180 PolarHBondContact ND2-OD2 3.18Å; N177-D180 VanDerWaalsContact ND2-OD2 3.13Å; D180-Y182 VanDerWaalsContact C-N 3.32Å; D180-Y182 PolarHBondContact O-N 3.09Å; D180-Y183 PolarHBondContact O-N 3.11Å; D180-G184 PolarHBondContact O-N 2.91Å; D180-H185 CarbonylContact C-O 3.59Å; D180-H185 WeakPolarHBondContact CB-O 3.47Å; D180-H185 PolarHBondContact O-N 3.18Å; D180-H185 VanDerWaalsContact O-N 3.17Å; D180-H185 IonicContact OD1-CE1 3.82Å; D180-H185 PolarHBondContact OD1-CE1 2.89Å; D180-H185 IonicContact OD1-NE2 3.92Å; D180-H185 PolarHBondContact OD1-NE2 3.15Å
181R91.2Very high85.7Confident25 Ų2542.4 Ų42.49%0.09423%0.232CC..Hα-helixtrans-62.1-32.4173.8-69.7-177.560.1-156.8-13.9114.4C48 N177 R179 D187C48-R181 PolarHBondContact O-NH2 2.88Å; N177-R181 WeakPolarHBondContact O-CG 3.4Å; N177-R181 PolarHBondContact O-N 3.45Å; R179-R181 PolarHBondContact O-N 3.23Å; R181-D187 HydrophobicContact CG-CB 4.46Å
182Y91.5Very high86Confident1 Ų144.7 Ų44.70%0.00424%0.239CC..Hα-helixtrans-79.7-44.7179.5175.4-91.8000112.4I11 C38 K42 V44 L49 L71 L178 R179 D180 G184I11-Y182 HydrophobicContact CB-CD1 4.43Å; I11-Y182 HydrophobicContact CB-CE1 4.47Å; I11-Y182 VanDerWaalsContact CD1-CB 3.46Å; I11-Y182 HydrophobicContact CD1-CD1 3.82Å; I11-Y182 HydrophobicContact CD1-CD2 4.2Å; I11-Y182 HydrophobicContact CD1-CG 3.55Å; I11-Y182 HydrophobicContact CG1-CD1 3.94Å; I11-Y182 HydrophobicContact CG1-CD2 3.94Å; I11-Y182 HydrophobicContact CG1-CE1 4.33Å; I11-Y182 HydrophobicContact CG1-CE2 4.31Å; I11-Y182 HydrophobicContact CG1-CG 3.73Å; I11-Y182 HydrophobicContact CG2-CD1 3.62Å; I11-Y182 HydrophobicContact CG2-CE1 3.45Å; I11-Y182 VanDerWaalsContact CG2-CE1 3.45Å; I11-Y182 HydrophobicContact CG2-CG 4.3Å; C38-Y182 HydrophobicContact CB-CE2 4.17Å; C38-Y182 PolarHBondContact O-OH 3.35Å; K42-Y182 HydrophobicContact CB-CE2 4.16Å; K42-Y182 HydrophobicContact CG-CE1 4.3Å; K42-Y182 HydrophobicContact CG-CE2 4.1Å; V44-Y182 HydrophobicContact CG2-CD2 4.39Å; V44-Y182 HydrophobicContact CG2-CE2 4.2Å; L49-Y182 HydrophobicContact CD2-CD2 4.39Å; L71-Y182 HydrophobicContact CD1-CE1 3.95Å; L178-Y182 WeakPolarHBondContact O-CB 3.19Å; L178-Y182 PolarHBondContact O-N 2.68Å; R179-Y182 PolarHBondContact O-N 2.92Å; D180-Y182 VanDerWaalsContact C-N 3.32Å; D180-Y182 PolarHBondContact O-N 3.09Å; Y182-G184 VanDerWaalsContact C-N 3.26Å; Y182-G184 PolarHBondContact O-N 3.47Å
183Y88.3Confident86.6Confident36 Ų3640.9 Ų40.914%0.14121%0.213CC..Hα-helixtrans-75.3-18.6178.7-70.3-63.6000112.4L71 R179 D180L71-Y183 HydrophobicContact CB-CD1 4.08Å; L71-Y183 HydrophobicContact CB-CE1 3.89Å; L71-Y183 HydrophobicContact CD1-CD1 4.06Å; L71-Y183 HydrophobicContact CD1-CE1 4.11Å; R179-Y183 HydrophobicContact CB-CD2 4.29Å; R179-Y183 HydrophobicContact CB-CE2 4.28Å; R179-Y183 WeakPolarHBondContact O-CD2 3.35Å; R179-Y183 PolarHBondContact O-N 3.05Å; D180-Y183 PolarHBondContact O-N 3.11Å
184G86Confident87.1Confident20 Ų2041.6 Ų41.621%0.20622%0.217CC..THydrogen-bonded Turntrans78.739177.100000112.7E59 D180 Y182E59-G184 WeakPolarHBondContact CG-O 3.27Å; D180-G184 PolarHBondContact O-N 2.91Å; Y182-G184 VanDerWaalsContact C-N 3.26Å; Y182-G184 PolarHBondContact O-N 3.47Å
185H85.1Confident87.8Confident50 Ų5044.7 Ų44.723%0.23124%0.239CC..SBendtrans-120.5141.8170.769.291.2000109.7K73 D180 D187K73-H185 PolarHBondContact NZ-CD2 3.13Å; D180-H185 CarbonylContact C-O 3.59Å; D180-H185 WeakPolarHBondContact CB-O 3.47Å; D180-H185 PolarHBondContact O-N 3.18Å; D180-H185 VanDerWaalsContact O-N 3.17Å; D180-H185 IonicContact OD1-CE1 3.82Å; D180-H185 PolarHBondContact OD1-CE1 2.89Å; D180-H185 IonicContact OD1-NE2 3.92Å; D180-H185 PolarHBondContact OD1-NE2 3.15Å; H185-D187 PolarHBondContact O-N 3.44Å; H185-D187 VanDerWaalsContact O-N 3.13Å
186D83.7Confident88.6Confident132 Ų13244.5 Ų44.571%0.70623%0.233SC*.SBendtrans50.736.5173-47.4-51.9000114.3P188D186-P188 VanDerWaalsContact O-CD 3.25Å; D186-P188 WeakPolarHBondContact O-CD 3.29Å
187D87.1Confident89.1Confident3 Ų345.7 Ų45.72%0.01624%0.238CC..  trans-83.2111.6174.7-177.3-2.6000109.9E59 R181 H185 V189 A190 A191E59-D187 WeakPolarHBondContact OE2-CB 3.31Å; E59-D187 PolarHBondContact OE2-N 2.89Å; R181-D187 HydrophobicContact CG-CB 4.46Å; H185-D187 PolarHBondContact O-N 3.44Å; H185-D187 VanDerWaalsContact O-N 3.13Å; D187-V189 PolarHBondContact O-N 2.61Å; D187-V189 VanDerWaalsContact OD1-CB 3.31Å; D187-V189 WeakPolarHBondContact OD1-CB 3.34Å; D187-V189 PolarHBondContact OD1-N 2.64Å; D187-A190 HydrophobicContact CB-CB 3.8Å; D187-A190 WeakPolarHBondContact O-CB 3.01Å; D187-A190 PolarHBondContact O-N 3.04Å; D187-A191 PolarHBondContact O-N 3.33Å
188P89.5Confident89.2Confident28 Ų2847.8 Ų47.818%0.18225%0.249CC..Hα-helixtrans-62.5-27.8-179.826.6-35.7000112.3P172 L173 Q176 D186 K192P172-P188 WeakPolarHBondContact O-CB 3.45Å; P172-P188 VanDerWaalsContact O-CG 3.27Å; P172-P188 WeakPolarHBondContact O-CG 3.39Å; L173-P188 HydrophobicContact CD1-CB 4.03Å; L173-P188 HydrophobicContact CD1-CG 4.29Å; Q176-P188 HydrophobicContact CG-CG 4.29Å; D186-P188 VanDerWaalsContact O-CD 3.25Å; D186-P188 WeakPolarHBondContact O-CD 3.29Å; P188-K192 WeakPolarHBondContact O-CB 3.43Å; P188-K192 PolarHBondContact O-N 3.21Å
189V88.6Confident89.3Confident8 Ų851.4 Ų51.45%0.04827%0.273CS..Hα-helixtrans-68.1-42.3174.9-176.30000109.9P57 L173 D187 K192 L193P57-V189 HydrophobicContact CG-CG1 4.09Å; L173-V189 HydrophobicContact CD1-CB 4.22Å; L173-V189 HydrophobicContact CD1-CG2 3.57Å; L173-V189 HydrophobicContact CG-CG2 4.29Å; D187-V189 PolarHBondContact O-N 2.61Å; D187-V189 VanDerWaalsContact OD1-CB 3.31Å; D187-V189 WeakPolarHBondContact OD1-CB 3.34Å; D187-V189 PolarHBondContact OD1-N 2.64Å; V189-K192 PolarHBondContact O-N 3.14Å; V189-L193 HydrophobicContact CG1-CD1 4.34Å; V189-L193 WeakPolarHBondContact O-CD1 3.27Å; V189-L193 PolarHBondContact O-N 3.49Å; V189-L193 VanDerWaalsContact O-N 3.09Å
190A91.8Very high89.1Confident0 Ų049.7 Ų49.70%027%0.269CS..Hα-helixtrans-65.5-44.1177.300000111.5P57 E59 V60 D187 K192 L193 L194P57-A190 HydrophobicContact CB-CB 4.02Å; P57-A190 HydrophobicContact CG-CB 4.33Å; E59-A190 HydrophobicContact CB-CB 3.66Å; E59-A190 HydrophobicContact CG-CB 3.96Å; V60-A190 HydrophobicContact CG2-CB 3.71Å; D187-A190 HydrophobicContact CB-CB 3.8Å; D187-A190 WeakPolarHBondContact O-CB 3.01Å; D187-A190 PolarHBondContact O-N 3.04Å; A190-K192 PolarHBondContact O-N 3.31Å; A190-L193 PolarHBondContact O-N 3.24Å; A190-L194 WeakPolarHBondContact O-CD1 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.76Å
191A91.4Very high88.9Confident48 Ų4851.9 Ų51.940%0.39729%0.286SS..Hα-helixtrans-56.3-48.7175.500000111.5D187 L193 L194 S195D187-A191 PolarHBondContact O-N 3.33Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.48Å; A191-L194 PolarHBondContact O-N 3.14Å; A191-S195 PolarHBondContact O-N 2.72Å; A191-S195 PolarHBondContact O-OG 3.17Å; A191-S195 VanDerWaalsContact O-OG 3.11Å
192K91Very high88.5Confident106 Ų10654.9 Ų54.946%0.46130%0.3SS..Hα-helixtrans-60.6-38.7177.2-172.3170.6-177.4168.80112.8P188 V189 A190 K196P188-K192 WeakPolarHBondContact O-CB 3.43Å; P188-K192 PolarHBondContact O-N 3.21Å; V189-K192 PolarHBondContact O-N 3.14Å; A190-K192 PolarHBondContact O-N 3.31Å; K192-K196 WeakPolarHBondContact O-CB 3.25Å; K192-K196 PolarHBondContact O-N 3.01Å
193L91.2Very high88.1Confident21 Ų2156.4 Ų56.411%0.1131%0.308CS..Hα-helixtrans-67.9-40.4177-10163000112.5L56 P57 V60 L130 V189 A190 A191 K196 Y197 L473L56-L193 HydrophobicContact CD2-CD2 3.72Å; P57-L193 HydrophobicContact CG-CD2 4.1Å; V60-L193 HydrophobicContact CG2-CB 4.03Å; V60-L193 HydrophobicContact CG2-CD2 4.24Å; L130-L193 HydrophobicContact CD1-CB 4.44Å; V189-L193 HydrophobicContact CG1-CD1 4.34Å; V189-L193 WeakPolarHBondContact O-CD1 3.27Å; V189-L193 PolarHBondContact O-N 3.49Å; V189-L193 VanDerWaalsContact O-N 3.09Å; A190-L193 PolarHBondContact O-N 3.24Å; A191-L193 VanDerWaalsContact C-N 3.31Å; A191-L193 PolarHBondContact O-N 3.48Å; L193-K196 PolarHBondContact O-N 3.47Å; L193-Y197 PolarHBondContact O-N 3.08Å; L193-L473 HydrophobicContact CD1-CD2 4.31Å
194L90.8Very high87.9Confident29 Ų2960.2 Ų60.215%0.15233%0.334CS..Hα-helixtrans-66-46.5175.8-72.5154.4000110.9V60 K63 A190 A191 K196 Y197 D198V60-L194 HydrophobicContact CG2-CG 4.43Å; K63-L194 HydrophobicContact CD-CD1 3.54Å; K63-L194 HydrophobicContact CD-CD2 4.25Å; A190-L194 WeakPolarHBondContact O-CD1 3.4Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.76Å; A191-L194 PolarHBondContact O-N 3.14Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.04Å; L194-Y197 WeakPolarHBondContact O-CB 3.28Å; L194-Y197 PolarHBondContact O-N 3.43Å; L194-D198 PolarHBondContact O-N 3.48Å
195S91.2Very high87.9Confident72 Ų7262 Ų6250%0.50334%0.343SS..Hα-helixtrans-58.2-40.4174.3-58.40000112A191 Y197 D198 T199A191-S195 PolarHBondContact O-N 2.72Å; A191-S195 PolarHBondContact O-OG 3.17Å; A191-S195 VanDerWaalsContact O-OG 3.11Å; S195-Y197 VanDerWaalsContact C-N 3.31Å; S195-Y197 PolarHBondContact O-N 3.47Å; S195-D198 PolarHBondContact O-N 2.97Å; S195-T199 PolarHBondContact O-N 2.86Å; S195-T199 PolarHBondContact O-OG1 2.85Å; S195-T199 VanDerWaalsContact O-OG1 3.1Å
196K91.2Very high87.9Confident99 Ų9960.9 Ų60.943%0.4334%0.34SS..Hα-helixtrans-61.6-38.7175-175.8176.8-178.2178.40112.2K192 L193 L194 D198 M200K192-K196 WeakPolarHBondContact O-CB 3.25Å; K192-K196 PolarHBondContact O-N 3.01Å; L193-K196 PolarHBondContact O-N 3.47Å; L194-K196 VanDerWaalsContact C-N 3.27Å; L194-K196 PolarHBondContact O-N 3.04Å; K196-D198 VanDerWaalsContact C-N 3.34Å; K196-M200 PolarHBondContact O-N 2.95Å
197Y89Confident88Confident34 Ų3463.7 Ų63.713%0.13335%0.349CS..Hα-helixtrans-67.5-35.8175.3178.6-105.3000112.6L126 K129 L193 L194 S195 T199 M200 K202L126-Y197 HydrophobicContact CB-CE1 4.38Å; L126-Y197 HydrophobicContact CB-CE2 3.98Å; L126-Y197 HydrophobicContact CD1-CD1 3.46Å; L126-Y197 VanDerWaalsContact CD1-CD1 3.46Å; L126-Y197 HydrophobicContact CD1-CD2 3.24Å; L126-Y197 HydrophobicContact CD1-CE1 3.67Å; L126-Y197 HydrophobicContact CD1-CE2 3.49Å; L126-Y197 VanDerWaalsContact CD1-CE2 3.49Å; L126-Y197 HydrophobicContact CD1-CG 3.19Å; L126-Y197 HydrophobicContact CD2-CE1 4.43Å; L126-Y197 HydrophobicContact CG-CD2 4.48Å; L126-Y197 HydrophobicContact CG-CE1 4.4Å; L126-Y197 HydrophobicContact CG-CE2 4.34Å; K129-Y197 HydrophobicContact CD-CE2 4.18Å; L193-Y197 PolarHBondContact O-N 3.08Å; L194-Y197 WeakPolarHBondContact O-CB 3.28Å; L194-Y197 PolarHBondContact O-N 3.43Å; S195-Y197 VanDerWaalsContact C-N 3.31Å; S195-Y197 PolarHBondContact O-N 3.47Å; Y197-T199 VanDerWaalsContact C-N 3.32Å; Y197-M200 VanDerWaalsContact O-CB 3.25Å; Y197-M200 WeakPolarHBondContact O-CB 3.45Å; Y197-M200 PolarHBondContact O-N 3.16Å; Y197-K202 VanDerWaalsContact CD1-NZ 3.29Å; Y197-K202 VanDerWaalsContact O-CE 3.23Å; Y197-K202 WeakPolarHBondContact O-CE 3.48Å; Y197-K202 PolarHBondContact O-NZ 3.12Å
198D88.2Confident88Confident110 Ų11068.2 Ų68.259%0.58837%0.373SS*.Hα-helixtrans-70.6-30.4178.6-68.2-28000112.8L194 S195 K196 M200 K202L194-D198 PolarHBondContact O-N 3.48Å; S195-D198 PolarHBondContact O-N 2.97Å; K196-D198 VanDerWaalsContact C-N 3.34Å; D198-M200 VanDerWaalsContact C-N 3.31Å; D198-K202 IonicContact OD1-NZ 2.71Å; D198-K202 PolarHBondContact OD1-NZ 2.75Å
199T89.9Confident87.8Confident122 Ų12276.4 Ų76.475%0.74840%0.4SS*.Hα-helixtrans-78.2-13.6171.5-47.60000113.2S195 Y197S195-T199 PolarHBondContact O-N 2.86Å; S195-T199 PolarHBondContact O-OG1 2.85Å; S195-T199 VanDerWaalsContact O-OG1 3.1Å; Y197-T199 VanDerWaalsContact C-N 3.32Å
200M85.4Confident87.7Confident57 Ų5781.8 Ų81.828%0.28143%0.433SS..SBendtrans-65.5139.3179.6-165.3172.1-74.500110.1K129 K196 Y197 D198 K202K129-M200 HydrophobicContact CB-SD 4.16Å; K129-M200 HydrophobicContact CD-SD 3.96Å; K129-M200 HydrophobicContact CG-SD 4.34Å; K196-M200 PolarHBondContact O-N 2.95Å; Y197-M200 VanDerWaalsContact O-CB 3.25Å; Y197-M200 WeakPolarHBondContact O-CB 3.45Å; Y197-M200 PolarHBondContact O-N 3.16Å; D198-M200 VanDerWaalsContact C-N 3.31Å; M200-K202 PolarHBondContact O-N 3.07Å; M200-K202 VanDerWaalsContact O-N 3.1Å
201P84.9Confident87.6Confident89 Ų8982.7 Ų82.758%0.57844%0.438SS*.  trans-58.1121.6177.923.6-34.6000109.7Y268P201-Y268 WeakPolarHBondContact O-CE1 3.43Å
202K82.9Confident87.7Confident88 Ų8881.1 Ų81.138%0.38342%0.423SS..  trans-119.9145.5173.8-68.2168.9-170.6166.90107.4Y197 D198 M200 V204Y197-K202 VanDerWaalsContact CD1-NZ 3.29Å; Y197-K202 VanDerWaalsContact O-CE 3.23Å; Y197-K202 WeakPolarHBondContact O-CE 3.48Å; Y197-K202 PolarHBondContact O-NZ 3.12Å; D198-K202 IonicContact OD1-NZ 2.71Å; D198-K202 PolarHBondContact OD1-NZ 2.75Å; M200-K202 PolarHBondContact O-N 3.07Å; M200-K202 VanDerWaalsContact O-N 3.1Å; K202-V204 PolarHBondContact O-N 3.03Å; K202-V204 VanDerWaalsContact O-N 3.12Å
203L82.5Confident87.8Confident33 Ų3377 Ų7717%0.17341%0.407CS..  trans-78.3101.7178.4-168.266.3000109.3A264 Y268 W282L203-A264 HydrophobicContact CD2-CB 3.58Å; L203-Y268 HydrophobicContact CB-CD1 4.39Å; L203-Y268 HydrophobicContact CB-CD2 3.7Å; L203-Y268 HydrophobicContact CB-CE2 4.02Å; L203-Y268 HydrophobicContact CB-CG 3.89Å; L203-Y268 HydrophobicContact CD1-CD2 4.06Å; L203-Y268 HydrophobicContact CD1-CE2 3.93Å; L203-Y268 HydrophobicContact CD2-CD2 3.97Å; L203-Y268 HydrophobicContact CG-CD2 4.11Å; L203-Y268 HydrophobicContact CG-CE2 4.4Å; L203-W282 VanDerWaalsContact CG-CD1 3.49Å
204V85Confident87.9Confident115 Ų11576 Ų7670%0.69740%0.401SS*.PPolyproline II helixtrans-70.4126.7178.2-179.10000108.8K202 W282K202-V204 PolarHBondContact O-N 3.03Å; K202-V204 VanDerWaalsContact O-N 3.12Å; V204-W282 PolarHBondContact O-NE1 2.59Å; V204-W282 VanDerWaalsContact O-NE1 3.09Å
205P85.7Confident88.1Confident59 Ų5978 Ų7838%0.38341%0.407SS..PPolyproline II helixtrans-63.3142.4176.927.1-34000110.6E261 W282P205-E261 HydrophobicContact CB-CG 4.42Å; P205-W282 HydrophobicContact CB-CZ2 4.19Å
206P86Confident88.2Confident25 Ų2574.5 Ų74.516%0.16238%0.383CS..PPolyproline II helixtrans-63143.8179.425-32.9000110.7D208 I211 W282P206-D208 PolarHBondContact O-N 2.86Å; P206-I211 HydrophobicContact CB-CB 4.4Å; P206-I211 HydrophobicContact CB-CD1 4.07Å; P206-I211 HydrophobicContact CG-CB 3.9Å; P206-I211 HydrophobicContact CG-CD1 4.48Å; P206-I211 HydrophobicContact CG-CG2 4.01Å; P206-W282 HydrophobicContact CG-CD2 3.97Å; P206-W282 HydrophobicContact CG-CE3 3.92Å; P206-W282 HydrophobicContact CG-CG 4.24Å; P206-W282 HydrophobicContact CG-CZ3 4.39Å
207E85.4Confident88.3Confident191 Ų19169.9 Ų69.989%0.89336%0.363SS*.SBendtrans-58.8-40.8174.6-66.6-177.8-17800110.5R209E207-R209 PolarHBondContact O-N 3.22Å; E207-R209 VanDerWaalsContact O-N 3.14Å
208D87.4Confident88.4Confident98 Ų9870.4 Ų70.452%0.52438%0.379SS..  trans-66.3108.1176.3-73.5-22.6000111.9P206 T210 I211P206-D208 PolarHBondContact O-N 2.86Å; D208-T210 PolarHBondContact O-N 3.02Å; D208-T210 VanDerWaalsContact O-N 3.13Å; D208-I211 HydrophobicContact CB-CD1 3.75Å; D208-I211 HydrophobicContact CB-CG1 3.87Å; D208-I211 PolarHBondContact O-N 2.8Å
209R84.7Confident88.6Confident201 Ų20165.4 Ų65.476%0.75835%0.352SS*.THydrogen-bonded Turntrans-67.8-13.6-178.5-43.3-149.6160.8167.4-6.5114.6E207 I211 R257E207-R209 PolarHBondContact O-N 3.22Å; E207-R209 VanDerWaalsContact O-N 3.14Å; R209-I211 VanDerWaalsContact C-N 3.33Å; R209-R257 VanDerWaalsContact CB-NH1 3.29Å
210T86.8Confident88.6Confident120 Ų12061 Ų6174%0.73633%0.326SS*.THydrogen-bonded Turntrans-81-17.2-179.758.70000112.4D208 T212D208-T210 PolarHBondContact O-N 3.02Å; D208-T210 VanDerWaalsContact O-N 3.13Å; T210-T212 PolarHBondContact O-N 2.92Å; T210-T212 VanDerWaalsContact O-N 3.16Å
211I89.3Confident88.7Confident19 Ų1964.3 Ų64.310%0.09735%0.345CS..  trans-77.8104.4179.9-59.2-179.9000108.8P206 D208 R209 W282 G283P206-I211 HydrophobicContact CB-CB 4.4Å; P206-I211 HydrophobicContact CB-CD1 4.07Å; P206-I211 HydrophobicContact CG-CB 3.9Å; P206-I211 HydrophobicContact CG-CD1 4.48Å; P206-I211 HydrophobicContact CG-CG2 4.01Å; D208-I211 HydrophobicContact CB-CD1 3.75Å; D208-I211 HydrophobicContact CB-CG1 3.87Å; D208-I211 PolarHBondContact O-N 2.8Å; R209-I211 VanDerWaalsContact C-N 3.33Å; I211-W282 HydrophobicContact CG2-CE3 4.47Å; I211-G283 WeakPolarHBondContact CG2-O 3.41Å
212T93.1Very high88.7Confident15 Ų1563.5 Ų63.59%0.09235%0.353CS..  trans-112.913.5170.564.50000112.1T210 F254 R257T210-T212 PolarHBondContact O-N 2.92Å; T210-T212 VanDerWaalsContact O-N 3.16Å; T212-F254 VanDerWaalsContact CB-O 3.29Å; T212-F254 WeakPolarHBondContact CB-O 3.45Å; T212-F254 PolarHBondContact O-N 3.4Å; T212-F254 PolarHBondContact OG1-O 3.07Å; T212-R257 HydrophobicContact CG2-CB 4.27Å
213T93.4Very high89Confident19 Ų1960.1 Ų60.112%0.11734%0.339CS..EExtended strand (participates in β ladder)trans-94.9129.5-177.7-50.90000110.3F251 I252 G283T213-F251 HydrophobicContact CG2-CB 4.14Å; T213-F251 HydrophobicContact CG2-CD1 4.14Å; T213-I252 CarbonylContact C-O 3.46Å; T213-I252 VanDerWaalsContact CA-O 3.27Å; T213-I252 WeakPolarHBondContact CA-O 3.37Å; T213-G283 WeakPolarHBondContact O-CA 3.24Å; T213-G283 PolarHBondContact O-N 3.25Å
214L93.9Very high89.4Confident0 Ų062 Ų620%035%0.351CS..EExtended strand (participates in β ladder)trans-103.8135168.6-59.7-173.8000109.7F232 F251 I252 F254 A263 A264 V280 W282L214-F232 HydrophobicContact CD1-CE1 4.26Å; L214-F251 WeakPolarHBondContact O-CA 3.24Å; L214-I252 PolarHBondContact N-O 2.88Å; L214-I252 PolarHBondContact O-N 2.92Å; L214-F254 HydrophobicContact CD1-CD2 4.49Å; L214-F254 HydrophobicContact CD1-CE2 3.74Å; L214-F254 HydrophobicContact CG-CD2 4.49Å; L214-F254 HydrophobicContact CG-CE2 4.15Å; L214-A263 HydrophobicContact CD1-CB 3.87Å; L214-A264 HydrophobicContact CD1-CB 4.3Å; L214-A264 HydrophobicContact CD2-CB 3.85Å; L214-V280 HydrophobicContact CD1-CG1 4.35Å; L214-W282 HydrophobicContact CD2-CD2 3.99Å; L214-W282 HydrophobicContact CD2-CE3 3.48Å; L214-W282 VanDerWaalsContact CD2-CE3 3.48Å; L214-W282 HydrophobicContact CD2-CH2 4.19Å; L214-W282 HydrophobicContact CD2-CZ3 3.61Å
215Y94.2Very high89.7Confident71 Ų7160 Ų6028%0.27834%0.335SS..EExtended strand (participates in β ladder)trans-90.7130.6167.6169.8-92.5000109.1C249 F251 V280 N281Y215-C249 HydrophobicContact CD2-CB 4.46Å; Y215-C249 HydrophobicContact CE2-CB 3.56Å; Y215-F251 HydrophobicContact CD2-CD1 4.35Å; Y215-F251 AromaticContact CD2-CE1 3.67Å; Y215-F251 HydrophobicContact CD2-CE1 3.67Å; Y215-F251 AromaticContact CD2-CZ 3.77Å; Y215-F251 HydrophobicContact CD2-CZ 3.77Å; Y215-F251 HydrophobicContact CE2-CZ 4.27Å; Y215-F251 HydrophobicContact CG-CE1 4.47Å; Y215-V280 CarbonylContact O-C 3.48Å; Y215-V280 WeakPolarHBondContact O-CA 3.44Å; Y215-N281 HydrophobicContact CD1-CB 4.11Å; Y215-N281 PolarHBondContact N-O 3.04Å; Y215-N281 PolarHBondContact O-N 3.36Å
216I93.7Very high90Very high0 Ų064 Ų640%035%0.346CS..EExtended strand (participates in β ladder)trans-118.9121.7174.9-54.6173.5000108I219 L228 F232 C249 A250 I252 L278 T279I216-I219 HydrophobicContact CB-CD1 4.21Å; I216-I219 HydrophobicContact CG2-CD1 3.97Å; I216-I219 HydrophobicContact CG2-CG1 4Å; I216-L228 HydrophobicContact CD1-CD2 4.22Å; I216-F232 HydrophobicContact CD1-CD2 4.19Å; I216-F232 HydrophobicContact CD1-CE1 4.4Å; I216-F232 HydrophobicContact CD1-CE2 3.28Å; I216-F232 HydrophobicContact CD1-CZ 3.39Å; I216-F232 HydrophobicContact CG1-CZ 4.23Å; I216-C249 CarbonylContact O-C 3.56Å; I216-C249 WeakPolarHBondContact O-CA 3.13Å; I216-A250 HydrophobicContact CB-CB 4.42Å; I216-A250 PolarHBondContact N-O 3.25Å; I216-A250 PolarHBondContact O-N 3.07Å; I216-I252 HydrophobicContact CD1-CD1 3.3Å; I216-I252 HydrophobicContact CD1-CG1 3.73Å; I216-L278 HydrophobicContact CG2-CB 3.93Å; I216-L278 HydrophobicContact CG2-CD1 3.97Å; I216-L278 HydrophobicContact CG2-CG 4.46Å; I216-T279 CarbonylContact C-O 3.54Å; I216-T279 VanDerWaalsContact CA-O 3.22Å; I216-T279 WeakPolarHBondContact CA-O 3.44Å
217G92.9Very high90.3Very high1 Ų166.3 Ų66.31%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-110.3162.6176.400000112.6L278 T279G217-L278 WeakPolarHBondContact O-CA 3.42Å; G217-T279 WeakPolarHBondContact CA-OG1 3.04Å; G217-T279 PolarHBondContact N-O 3.14Å; G217-T279 PolarHBondContact O-N 2.88Å; G217-T279 PolarHBondContact O-OG1 3.06Å
218G91Very high90.7Very high45 Ų4557.2 Ų57.246%0.46431%0.314SS..  trans79.725.4176.500000114.1H248 L278G218-H248 PolarHBondContact N-O 3.17Å; G218-L278 WeakPolarHBondContact O-CD2 3.11Å
219I92Very high91Very high5 Ų557.6 Ų57.63%0.02631%0.308CS..  trans-76.1122.4-177.5-62168.1000109.9I216 M223 L228 L243 H248 A250 L278I216-I219 HydrophobicContact CB-CD1 4.21Å; I216-I219 HydrophobicContact CG2-CD1 3.97Å; I216-I219 HydrophobicContact CG2-CG1 4Å; I219-M223 HydrophobicContact CG2-CB 3.76Å; I219-M223 HydrophobicContact CG2-CG 4.09Å; I219-M223 HydrophobicContact CG2-SD 3.82Å; I219-L228 HydrophobicContact CD1-CD1 4.01Å; I219-L243 HydrophobicContact CD1-CD1 3.83Å; I219-L243 HydrophobicContact CG2-CD1 3.87Å; I219-H248 PolarHBondContact N-O 3.29Å; I219-H248 WeakPolarHBondContact O-CB 3.3Å; I219-H248 PolarHBondContact O-ND1 2.98Å; I219-H248 VanDerWaalsContact O-ND1 3.14Å; I219-A250 HydrophobicContact CD1-CB 3.28Å; I219-L278 HydrophobicContact CB-CD2 4.49Å; I219-L278 HydrophobicContact CG1-CD1 4.49Å; I219-L278 HydrophobicContact CG1-CD2 4.03Å
220P90.4Very high91.3Very high30 Ų3052.8 Ų52.820%0.19530%0.297CS..  trans-71.2152.4177.430.9-35.2000111.1G222 M223 H276P220-G222 PolarHBondContact O-N 3.27Å; P220-G222 VanDerWaalsContact O-N 3.09Å; P220-M223 HydrophobicContact CG-CB 4.08Å; P220-M223 HydrophobicContact CG-CE 4.39Å; P220-M223 WeakPolarHBondContact O-CB 3.43Å; P220-M223 PolarHBondContact O-N 3.18Å; P220-H276 HydrophobicContact CG-CB 4.11Å
221D87.4Confident91.6Very high126 Ų12649.3 Ų49.367%0.67427%0.273SS*.THydrogen-bonded Turntrans-61.7-21.4-177.2-65.7-39000114.3M223 H248D221-M223 VanDerWaalsContact C-N 3.35Å; D221-H248 IonicContact OD1-CE1 3.21Å; D221-H248 PolarHBondContact OD1-CE1 2.74Å; D221-H248 IonicContact OD1-ND1 2.62Å; D221-H248 PolarHBondContact OD1-ND1 3.46Å; D221-H248 IonicContact OD2-CE1 3.37Å
222G85.9Confident91.7Very high72 Ų7248.4 Ų48.474%0.74227%0.268SS*.THydrogen-bonded Turntrans-80.5-8.5176.300000115P220P220-G222 PolarHBondContact O-N 3.27Å; P220-G222 VanDerWaalsContact O-N 3.09Å
223M88.2Confident91.7Very high18 Ų1855.5 Ų55.59%0.08929%0.294CS..  trans-84.1130.3-177.8-176.7170.9-73.300111.3I219 P220 D221 D227 L228 L273 L278I219-M223 HydrophobicContact CG2-CB 3.76Å; I219-M223 HydrophobicContact CG2-CG 4.09Å; I219-M223 HydrophobicContact CG2-SD 3.82Å; P220-M223 HydrophobicContact CG-CB 4.08Å; P220-M223 HydrophobicContact CG-CE 4.39Å; P220-M223 WeakPolarHBondContact O-CB 3.43Å; P220-M223 PolarHBondContact O-N 3.18Å; D221-M223 VanDerWaalsContact C-N 3.35Å; M223-D227 HydrophobicContact CG-CB 4.27Å; M223-L228 HydrophobicContact CG-CG 4.45Å; M223-L228 HydrophobicContact SD-CD2 3.68Å; M223-L228 HydrophobicContact SD-CG 3.96Å; M223-L273 HydrophobicContact CE-CB 3.29Å; M223-L273 HydrophobicContact CE-CD1 4.19Å; M223-L273 HydrophobicContact CE-CG 4.39Å; M223-L273 HydrophobicContact SD-CB 4.49Å; M223-L273 HydrophobicContact SD-CD1 4.4Å; M223-L278 HydrophobicContact CE-CD1 4.12Å; M223-L278 HydrophobicContact SD-CD1 3.98Å
224T91Very high91.7Very high71 Ų7160.2 Ų60.244%0.43632%0.315SS..  trans-94.4157179.370.10000111.9K226 D227T224-K226 PolarHBondContact O-N 2.96Å; T224-D227 PolarHBondContact N-OD2 3.38Å; T224-D227 PolarHBondContact O-N 2.61Å; T224-D227 VanDerWaalsContact O-N 3.1Å; T224-D227 VanDerWaalsContact OG1-CG 3.23Å; T224-D227 PolarHBondContact OG1-N 3.31Å; T224-D227 PolarHBondContact OG1-OD2 3.48Å
225E91.9Very high91.5Very high75 Ų7560.8 Ų60.835%0.3532%0.318SS..Hα-helixtrans-55.2-33.2171.8-168.1-157.7133.600111.7D227 L228 R229 V241E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 2.82Å; E225-L228 PolarHBondContact O-N 3Å; E225-R229 WeakPolarHBondContact O-CB 3.38Å; E225-R229 PolarHBondContact O-N 2.95Å; E225-R229 IonicContact OE1-CZ 2.89Å; E225-R229 IonicContact OE1-NE 3.15Å; E225-R229 IonicContact OE1-NH2 3.05Å; E225-R229 PolarHBondContact OE1-NH2 3.42Å; E225-V241 HydrophobicContact CG-CB 3.9Å; E225-V241 HydrophobicContact CG-CG1 3.47Å; E225-V241 VanDerWaalsContact CG-CG1 3.47Å
226K92.1Very high91.4Very high143 Ų14358.4 Ų58.462%0.62232%0.315SS*.Hα-helixtrans-62.3-38.3179-170.6-179.7179.4-177.30111.8T224 R229 N230T224-K226 PolarHBondContact O-N 2.96Å; K226-R229 PolarHBondContact O-N 3.19Å; K226-N230 WeakPolarHBondContact O-CB 3.37Å; K226-N230 PolarHBondContact O-N 3.01Å; K226-N230 PolarHBondContact O-ND2 2.85Å; K226-N230 PolarHBondContact O-OD1 2.82Å
227D92.2Very high91.5Very high72 Ų7265.1 Ų65.139%0.38535%0.346SS..Hα-helixtrans-67-44.2-179.9-56.7-45.5000111.1M223 T224 E225 N230 H231M223-D227 HydrophobicContact CG-CB 4.27Å; T224-D227 PolarHBondContact N-OD2 3.38Å; T224-D227 PolarHBondContact O-N 2.61Å; T224-D227 VanDerWaalsContact O-N 3.1Å; T224-D227 VanDerWaalsContact OG1-CG 3.23Å; T224-D227 PolarHBondContact OG1-N 3.31Å; T224-D227 PolarHBondContact OG1-OD2 3.48Å; E225-D227 VanDerWaalsContact C-N 3.32Å; E225-D227 PolarHBondContact O-N 2.82Å; D227-N230 PolarHBondContact O-N 2.94Å; D227-H231 PolarHBondContact O-N 3.04Å
228L92.6Very high91.5Very high0 Ų066.5 Ų66.50%035%0.353CS..Hα-helixtrans-62.5-47.2173.6-67.2174.1000111I216 I219 M223 E225 N230 H231 F232 L243 A250 I252 L273 L278I216-L228 HydrophobicContact CD1-CD2 4.22Å; I219-L228 HydrophobicContact CD1-CD1 4.01Å; M223-L228 HydrophobicContact CG-CG 4.45Å; M223-L228 HydrophobicContact SD-CD2 3.68Å; M223-L228 HydrophobicContact SD-CG 3.96Å; E225-L228 PolarHBondContact O-N 3Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.91Å; L228-H231 PolarHBondContact O-N 3.28Å; L228-F232 HydrophobicContact CD2-CE2 4.29Å; L228-F232 VanDerWaalsContact O-CD2 3.3Å; L228-F232 WeakPolarHBondContact O-CD2 3.39Å; L228-F232 PolarHBondContact O-N 3.34Å; L228-L243 HydrophobicContact CD1-CD1 4.19Å; L228-A250 HydrophobicContact CD1-CB 3.71Å; L228-I252 HydrophobicContact CB-CD1 4.27Å; L228-L273 HydrophobicContact CD2-CD1 3.96Å; L228-L278 HydrophobicContact CD2-CD1 4.17Å
229R93.7Very high91.7Very high107 Ų10773.2 Ų73.240%0.40437%0.365SS..Hα-helixtrans-57.9-46.2178.2-175-179.1-69.9-105.92.4111.4E225 K226 H231 F232 Y233 L238E225-R229 WeakPolarHBondContact O-CB 3.38Å; E225-R229 PolarHBondContact O-N 2.95Å; E225-R229 IonicContact OE1-CZ 2.89Å; E225-R229 IonicContact OE1-NE 3.15Å; E225-R229 IonicContact OE1-NH2 3.05Å; E225-R229 PolarHBondContact OE1-NH2 3.42Å; K226-R229 PolarHBondContact O-N 3.19Å; R229-H231 PolarHBondContact O-N 2.95Å; R229-F232 PolarHBondContact O-N 2.84Å; R229-Y233 VanDerWaalsContact O-CB 3.25Å; R229-Y233 WeakPolarHBondContact O-CB 3.39Å; R229-Y233 PolarHBondContact O-N 3.02Å; R229-L238 HydrophobicContact CG-CD1 4.14Å
230N92.6Very high91.7Very high99 Ų9974.6 Ų74.653%0.52938%0.375SS..Hα-helixtrans-61.3-43.7178.6-71-15.1000111.8K226 D227 L228K226-N230 WeakPolarHBondContact O-CB 3.37Å; K226-N230 PolarHBondContact O-N 3.01Å; K226-N230 PolarHBondContact O-ND2 2.85Å; K226-N230 PolarHBondContact O-OD1 2.82Å; D227-N230 PolarHBondContact O-N 2.94Å; L228-N230 VanDerWaalsContact C-N 3.33Å; L228-N230 PolarHBondContact O-N 2.91Å
231H91.3Very high91.9Very high48 Ų4873.5 Ų73.522%0.22237%0.367CS..Hα-helixtrans-68.5-44.9179.8-172.776.3000112.5D227 L228 R229 Q234 L271 L273D227-H231 PolarHBondContact O-N 3.04Å; L228-H231 PolarHBondContact O-N 3.28Å; R229-H231 PolarHBondContact O-N 2.95Å; H231-Q234 VanDerWaalsContact O-CD 3.26Å; H231-Q234 WeakPolarHBondContact O-CG 3.5Å; H231-L271 VanDerWaalsContact NE2-CD1 3.28Å; H231-L271 WeakPolarHBondContact NE2-CD1 3.35Å; H231-L273 HydrophobicContact CB-CD1 4.21Å; H231-L273 HydrophobicContact CB-CD2 4.25Å
232F93.4Very high92.1Very high0 Ų071.7 Ų71.70%036%0.358CS..Hα-helixtrans-81-16.6-174.7-77.1-84.2000114.1L214 I216 L228 R229 Q234 F235 L238 I252 F254 A263 T267 L271L214-F232 HydrophobicContact CD1-CE1 4.26Å; I216-F232 HydrophobicContact CD1-CD2 4.19Å; I216-F232 HydrophobicContact CD1-CE1 4.4Å; I216-F232 HydrophobicContact CD1-CE2 3.28Å; I216-F232 HydrophobicContact CD1-CZ 3.39Å; I216-F232 HydrophobicContact CG1-CZ 4.23Å; L228-F232 HydrophobicContact CD2-CE2 4.29Å; L228-F232 VanDerWaalsContact O-CD2 3.3Å; L228-F232 WeakPolarHBondContact O-CD2 3.39Å; L228-F232 PolarHBondContact O-N 3.34Å; R229-F232 PolarHBondContact O-N 2.84Å; F232-Q234 PolarHBondContact O-N 3.33Å; F232-F235 HydrophobicContact CB-CD2 4.49Å; F232-F235 AromaticContact CD1-CD2 3.89Å; F232-F235 HydrophobicContact CD1-CD2 3.89Å; F232-F235 AromaticContact CD1-CE2 3.91Å; F232-F235 HydrophobicContact CD1-CE2 3.91Å; F232-F235 HydrophobicContact CE1-CE2 4.37Å; F232-F235 PolarHBondContact O-N 3.04Å; F232-L238 HydrophobicContact CB-CD2 3.98Å; F232-I252 HydrophobicContact CB-CD1 4.22Å; F232-I252 HydrophobicContact CD1-CD1 4.36Å; F232-I252 HydrophobicContact CD2-CD1 3.26Å; F232-I252 HydrophobicContact CE2-CD1 3.6Å; F232-I252 HydrophobicContact CG-CD1 3.69Å; F232-I252 HydrophobicContact CZ-CD1 4.24Å; F232-F254 HydrophobicContact CB-CZ 4.1Å; F232-F254 HydrophobicContact CD1-CE2 4.42Å; F232-F254 AromaticContact CD1-CZ 3.9Å; F232-F254 HydrophobicContact CD1-CZ 3.9Å; F232-F254 HydrophobicContact CG-CZ 4.43Å; F232-A263 HydrophobicContact CD1-CB 4.24Å; F232-A263 HydrophobicContact CE1-CB 4.49Å; F232-T267 HydrophobicContact CE1-CG2 3.85Å; F232-T267 HydrophobicContact CZ-CG2 4.19Å; F232-L271 HydrophobicContact CE2-CD2 4.05Å; F232-L271 HydrophobicContact CZ-CD2 3.74Å
233Y93Very high92.5Very high163 Ų16371 Ų7164%0.63934%0.337SS*.G310 helixtrans-59.5-28.4176.5-174.6-99.6000112.7R229 F235 G236 L238R229-Y233 VanDerWaalsContact O-CB 3.25Å; R229-Y233 WeakPolarHBondContact O-CB 3.39Å; R229-Y233 PolarHBondContact O-N 3.02Å; Y233-F235 PolarHBondContact O-N 3.43Å; Y233-G236 PolarHBondContact O-N 3.07Å; Y233-L238 HydrophobicContact CD2-CD1 4.18Å
234Q92Very high92.7Very high118 Ų11874.1 Ų74.155%0.55135%0.351SS*.G310 helixtrans-65-20179.877.3-167.90.300114.3H231 F232H231-Q234 VanDerWaalsContact O-CD 3.26Å; H231-Q234 WeakPolarHBondContact O-CG 3.5Å; F232-Q234 PolarHBondContact O-N 3.33Å
235F91.1Very high92.6Very high13 Ų1373.5 Ų73.56%0.05735%0.353CS..G310 helixtrans-91.7-23.3-178.2-53.9-65.8000113F232 Y233 F254 A259 R262 A263 R266 T267F232-F235 HydrophobicContact CB-CD2 4.49Å; F232-F235 AromaticContact CD1-CD2 3.89Å; F232-F235 HydrophobicContact CD1-CD2 3.89Å; F232-F235 AromaticContact CD1-CE2 3.91Å; F232-F235 HydrophobicContact CD1-CE2 3.91Å; F232-F235 HydrophobicContact CE1-CE2 4.37Å; F232-F235 PolarHBondContact O-N 3.04Å; Y233-F235 PolarHBondContact O-N 3.43Å; F235-F254 HydrophobicContact CB-CE1 4.35Å; F235-A259 WeakPolarHBondContact O-CB 3.48Å; F235-R262 PolarHBondContact O-NH2 3.28Å; F235-A263 HydrophobicContact CB-CB 3.76Å; F235-A263 HydrophobicContact CD1-CB 4.42Å; F235-A263 HydrophobicContact CD2-CB 3.56Å; F235-A263 HydrophobicContact CE2-CB 4.22Å; F235-A263 HydrophobicContact CG-CB 3.66Å; F235-R266 HydrophobicContact CE1-CB 3.76Å; F235-R266 VanDerWaalsContact CE1-CD 3.44Å; F235-R266 HydrophobicContact CE1-CG 4.25Å; F235-R266 HydrophobicContact CZ-CB 4.16Å; F235-T267 HydrophobicContact CE2-CG2 3.66Å; F235-T267 HydrophobicContact CZ-CG2 3.62Å
236G92.1Very high92.5Very high21 Ų2179.9 Ų79.922%0.21638%0.379CS..SBendtrans157.4-177.2178.200000113Y233Y233-G236 PolarHBondContact O-N 3.07Å
237E94.4Very high92.5Very high141 Ų14179.6 Ų79.666%0.65938%0.38SS*.  trans-68.6133.9-177.4-64.7177.1-179.500112.8A255E237-A255 HydrophobicContact CB-CB 4Å; E237-A255 PolarHBondContact O-N 3.16Å
238L94.3Very high92.4Very high30 Ų3080 Ų8016%0.15738%0.38CS..EExtended strand (participates in β ladder)trans-97127.6-178.9-66.5137000110.1R229 F232 Y233 V241 I252 F254R229-L238 HydrophobicContact CG-CD1 4.14Å; F232-L238 HydrophobicContact CB-CD2 3.98Å; Y233-L238 HydrophobicContact CD2-CD1 4.18Å; L238-V241 HydrophobicContact CD2-CG2 4.05Å; L238-I252 HydrophobicContact CD2-CG2 3.19Å; L238-F254 HydrophobicContact CD2-CE1 4.12Å; L238-F254 HydrophobicContact CD2-CZ 4.32Å; L238-F254 HydrophobicContact CG-CE1 4.36Å
239R93.4Very high92.5Very high186 Ų18680 Ų8070%0.70238%0.38SS*.EExtended strand (participates in β ladder)trans-82-46174.4-179.1170.6178.9176.23.7111.9Q253R239-Q253 HydrophobicContact CB-CB 4.28Å; R239-Q253 HydrophobicContact CB-CG 4.15Å; R239-Q253 PolarHBondContact N-O 3.32Å
240S92.5Very high92.5Very high34 Ų3474.9 Ų74.924%0.23836%0.361CS..EExtended strand (participates in β ladder)trans-154.215117863.70000111.3Q253S240-Q253 PolarHBondContact N-O 3.25Å; S240-Q253 PolarHBondContact O-N 2.75Å; S240-Q253 WeakPolarHBondContact OG-CB 3.22Å; S240-Q253 PolarHBondContact OG-OE1 3.3Å
241V94Very high92.6Very high7 Ų772.3 Ų72.34%0.04235%0.345CS..EExtended strand (participates in β ladder)trans-132.6113.3174.7-175.80000106.8E225 L238 I252E225-V241 HydrophobicContact CG-CB 3.9Å; E225-V241 HydrophobicContact CG-CG1 3.47Å; E225-V241 VanDerWaalsContact CG-CG1 3.47Å; L238-V241 HydrophobicContact CD2-CG2 4.05Å; V241-I252 HydrophobicContact CG1-CD1 4.49Å; V241-I252 HydrophobicContact CG1-CG1 4.25Å; V241-I252 HydrophobicContact CG2-CG2 4.49Å
242N93.1Very high92.7Very high88 Ų8870 Ų7047%0.47133%0.334SS..EExtended strand (participates in β ladder)trans-116.4107.4-178.8-68.7-44.8000109.7A250 F251N242-A250 CarbonylContact O-C 3.55Å; N242-A250 VanDerWaalsContact O-CA 3.23Å; N242-A250 WeakPolarHBondContact O-CA 3.47Å; N242-F251 PolarHBondContact N-O 3.31Å; N242-F251 PolarHBondContact O-N 2.87Å
243L93Very high92.7Very high58 Ų5872.2 Ų72.230%0.30434%0.344SS..EExtended strand (participates in β ladder)trans-91.5125.3176179.567.1000110.5I219 L228 A250I219-L243 HydrophobicContact CD1-CD1 3.83Å; I219-L243 HydrophobicContact CG2-CD1 3.87Å; L228-L243 HydrophobicContact CD1-CD1 4.19Å; L243-A250 HydrophobicContact CD1-CB 4.04Å
244H92.2Very high92.8Very high83 Ų8364.5 Ų64.538%0.38431%0.314SS..EExtended strand (participates in β ladder)trans-112.287.9175.6-61.483.3000109.5K246 Q247 H248 C249 F251H244-K246 VanDerWaalsContact C-N 3.26Å; H244-K246 PolarHBondContact O-N 3.32Å; H244-Q247 HydrophobicContact CB-CB 4.41Å; H244-Q247 PolarHBondContact O-N 2.97Å; H244-Q247 VanDerWaalsContact O-N 3.09Å; H244-H248 PolarHBondContact O-N 2.83Å; H244-H248 VanDerWaalsContact O-N 3.17Å; H244-C249 WeakPolarHBondContact CA-O 3.4Å; H244-C249 PolarHBondContact N-O 2.91Å; H244-C249 PolarHBondContact O-N 3.4Å; H244-F251 AromaticContact CE1-CD2 3.72Å; H244-F251 AromaticContact ND1-CD2 3.73Å
245A89.5Confident92.9Very high58 Ų5861.4 Ų61.448%0.47931%0.309SS..G310 helixtrans-54.7-40.8-178.400000112.5Q247 H248A245-Q247 PolarHBondContact O-N 3.44Å; A245-Q247 VanDerWaalsContact O-N 3.17Å; A245-H248 PolarHBondContact O-N 3.03Å; A245-H248 VanDerWaalsContact O-N 3.1Å
246K90.2Very high93Very high208 Ų20864.2 Ų64.290%0.90433%0.327SS*.G310 helixtrans-60.5-28.6180-64.9-172.2179.7-1770114.5H244H244-K246 VanDerWaalsContact C-N 3.26Å; H244-K246 PolarHBondContact O-N 3.32Å
247Q91Very high93Very high137 Ų13766.4 Ų66.464%0.6433%0.329SS*.G310 helixtrans-105.53.4-178.5-69.9-174.1-12.600112H244 A245 C249H244-Q247 HydrophobicContact CB-CB 4.41Å; H244-Q247 PolarHBondContact O-N 2.97Å; H244-Q247 VanDerWaalsContact O-N 3.09Å; A245-Q247 PolarHBondContact O-N 3.44Å; A245-Q247 VanDerWaalsContact O-N 3.17Å; Q247-C249 HydrophobicContact CB-CB 4.36Å; Q247-C249 WeakPolarHBondContact CB-SG 3.4Å; Q247-C249 PolarHBondContact O-N 3.35Å; Q247-C249 VanDerWaalsContact O-N 3.15Å; Q247-C249 PolarHBondContact OE1-SG 3.39Å
248H91.9Very high92.8Very high80 Ų8060.9 Ų60.937%0.3731%0.31SS..THydrogen-bonded Turntrans48.139.2-172.5-57.9-74.8000112.4G218 I219 D221 H244 A245G218-H248 PolarHBondContact N-O 3.17Å; I219-H248 PolarHBondContact N-O 3.29Å; I219-H248 WeakPolarHBondContact O-CB 3.3Å; I219-H248 PolarHBondContact O-ND1 2.98Å; I219-H248 VanDerWaalsContact O-ND1 3.14Å; D221-H248 IonicContact OD1-CE1 3.21Å; D221-H248 PolarHBondContact OD1-CE1 2.74Å; D221-H248 IonicContact OD1-ND1 2.62Å; D221-H248 PolarHBondContact OD1-ND1 3.46Å; D221-H248 IonicContact OD2-CE1 3.37Å; H244-H248 PolarHBondContact O-N 2.83Å; H244-H248 VanDerWaalsContact O-N 3.17Å; A245-H248 PolarHBondContact O-N 3.03Å; A245-H248 VanDerWaalsContact O-N 3.1Å
249C93.1Very high92.8Very high1 Ų159.5 Ų59.51%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-135.4154-174.878.50000112.8Y215 I216 H244 Q247Y215-C249 HydrophobicContact CD2-CB 4.46Å; Y215-C249 HydrophobicContact CE2-CB 3.56Å; I216-C249 CarbonylContact O-C 3.56Å; I216-C249 WeakPolarHBondContact O-CA 3.13Å; H244-C249 WeakPolarHBondContact CA-O 3.4Å; H244-C249 PolarHBondContact N-O 2.91Å; H244-C249 PolarHBondContact O-N 3.4Å; Q247-C249 HydrophobicContact CB-CB 4.36Å; Q247-C249 WeakPolarHBondContact CB-SG 3.4Å; Q247-C249 PolarHBondContact O-N 3.35Å; Q247-C249 VanDerWaalsContact O-N 3.15Å; Q247-C249 PolarHBondContact OE1-SG 3.39Å
250A93.8Very high92.7Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-135.8149.1173.900000111.1I216 I219 L228 N242 L243I216-A250 HydrophobicContact CB-CB 4.42Å; I216-A250 PolarHBondContact N-O 3.25Å; I216-A250 PolarHBondContact O-N 3.07Å; I219-A250 HydrophobicContact CD1-CB 3.28Å; L228-A250 HydrophobicContact CD1-CB 3.71Å; N242-A250 CarbonylContact O-C 3.55Å; N242-A250 VanDerWaalsContact O-CA 3.23Å; N242-A250 WeakPolarHBondContact O-CA 3.47Å; L243-A250 HydrophobicContact CD1-CB 4.04Å
251F94.6Very high92.7Very high45 Ų4551.3 Ų51.320%0.19727%0.269CS..EExtended strand (participates in β ladder)trans-114.9121.7172.8-64.9-86.3000109T213 L214 Y215 N242 H244T213-F251 HydrophobicContact CG2-CB 4.14Å; T213-F251 HydrophobicContact CG2-CD1 4.14Å; L214-F251 WeakPolarHBondContact O-CA 3.24Å; Y215-F251 HydrophobicContact CD2-CD1 4.35Å; Y215-F251 AromaticContact CD2-CE1 3.67Å; Y215-F251 HydrophobicContact CD2-CE1 3.67Å; Y215-F251 AromaticContact CD2-CZ 3.77Å; Y215-F251 HydrophobicContact CD2-CZ 3.77Å; Y215-F251 HydrophobicContact CE2-CZ 4.27Å; Y215-F251 HydrophobicContact CG-CE1 4.47Å; N242-F251 PolarHBondContact N-O 3.31Å; N242-F251 PolarHBondContact O-N 2.87Å; H244-F251 AromaticContact CE1-CD2 3.72Å; H244-F251 AromaticContact ND1-CD2 3.73Å
252I94.3Very high92.4Very high0 Ų056.3 Ų56.30%029%0.287CS..EExtended strand (participates in β ladder)trans-114.7118.6179.7-57.9-163.9000108.7T213 L214 I216 L228 F232 L238 V241 F254T213-I252 CarbonylContact C-O 3.46Å; T213-I252 VanDerWaalsContact CA-O 3.27Å; T213-I252 WeakPolarHBondContact CA-O 3.37Å; L214-I252 PolarHBondContact N-O 2.88Å; L214-I252 PolarHBondContact O-N 2.92Å; I216-I252 HydrophobicContact CD1-CD1 3.3Å; I216-I252 HydrophobicContact CD1-CG1 3.73Å; L228-I252 HydrophobicContact CB-CD1 4.27Å; F232-I252 HydrophobicContact CB-CD1 4.22Å; F232-I252 HydrophobicContact CD1-CD1 4.36Å; F232-I252 HydrophobicContact CD2-CD1 3.26Å; F232-I252 HydrophobicContact CE2-CD1 3.6Å; F232-I252 HydrophobicContact CG-CD1 3.69Å; F232-I252 HydrophobicContact CZ-CD1 4.24Å; L238-I252 HydrophobicContact CD2-CG2 3.19Å; V241-I252 HydrophobicContact CG1-CD1 4.49Å; V241-I252 HydrophobicContact CG1-CG1 4.25Å; V241-I252 HydrophobicContact CG2-CG2 4.49Å; I252-F254 HydrophobicContact CG2-CD2 4.47Å; I252-F254 HydrophobicContact CG2-CE2 3.99Å; I252-F254 HydrophobicContact CG2-CZ 4.27Å
253Q94Very high92.4Very high46 Ų4652.1 Ų52.122%0.21526%0.264CS..EExtended strand (participates in β ladder)trans-103.3125.3177.2-167.8179.419.800110.3R239 S240R239-Q253 HydrophobicContact CB-CB 4.28Å; R239-Q253 HydrophobicContact CB-CG 4.15Å; R239-Q253 PolarHBondContact N-O 3.32Å; S240-Q253 PolarHBondContact N-O 3.25Å; S240-Q253 PolarHBondContact O-N 2.75Å; S240-Q253 WeakPolarHBondContact OG-CB 3.22Å; S240-Q253 PolarHBondContact OG-OE1 3.3Å
254F95.3Very high92.3Very high1 Ų149.4 Ų49.40%0.00425%0.25CS..EExtended strand (participates in β ladder)trans-89.2152.9173.3-73.1-85000112.2T212 L214 F232 F235 L238 I252 T256 A259 A260 A263T212-F254 VanDerWaalsContact CB-O 3.29Å; T212-F254 WeakPolarHBondContact CB-O 3.45Å; T212-F254 PolarHBondContact O-N 3.4Å; T212-F254 PolarHBondContact OG1-O 3.07Å; L214-F254 HydrophobicContact CD1-CD2 4.49Å; L214-F254 HydrophobicContact CD1-CE2 3.74Å; L214-F254 HydrophobicContact CG-CD2 4.49Å; L214-F254 HydrophobicContact CG-CE2 4.15Å; F232-F254 HydrophobicContact CB-CZ 4.1Å; F232-F254 HydrophobicContact CD1-CE2 4.42Å; F232-F254 AromaticContact CD1-CZ 3.9Å; F232-F254 HydrophobicContact CD1-CZ 3.9Å; F232-F254 HydrophobicContact CG-CZ 4.43Å; F235-F254 HydrophobicContact CB-CE1 4.35Å; L238-F254 HydrophobicContact CD2-CE1 4.12Å; L238-F254 HydrophobicContact CD2-CZ 4.32Å; L238-F254 HydrophobicContact CG-CE1 4.36Å; I252-F254 HydrophobicContact CG2-CD2 4.47Å; I252-F254 HydrophobicContact CG2-CE2 3.99Å; I252-F254 HydrophobicContact CG2-CZ 4.27Å; F254-T256 VanDerWaalsContact C-N 3.34Å; F254-A259 HydrophobicContact CB-CB 4.4Å; F254-A259 HydrophobicContact CD1-CB 3.83Å; F254-A259 HydrophobicContact CE1-CB 4.46Å; F254-A259 HydrophobicContact CG-CB 4.28Å; F254-A260 HydrophobicContact CB-CB 4.09Å; F254-A260 HydrophobicContact CD2-CB 3.78Å; F254-A260 HydrophobicContact CG-CB 4.17Å; F254-A263 HydrophobicContact CE1-CB 4.41Å; F254-A263 HydrophobicContact CE2-CB 3.78Å; F254-A263 HydrophobicContact CZ-CB 3.57Å
255A94.3Very high92Very high53 Ų5351.6 Ų51.644%0.43826%0.261SS..SBendtrans-69.3-33.217200000112.2E237E237-A255 HydrophobicContact CB-CB 4Å; E237-A255 PolarHBondContact O-N 3.16Å
256T93.2Very high91.8Very high72 Ų7251.9 Ų51.944%0.44225%0.249SC..SBendtrans-122.6143.4-178.664.50000111.9F254 A259 A260F254-T256 VanDerWaalsContact C-N 3.34Å; T256-A259 PolarHBondContact O-N 3.46Å; T256-A259 WeakPolarHBondContact OG1-CB 3.47Å; T256-A259 PolarHBondContact OG1-N 3.27Å; T256-A260 PolarHBondContact O-N 3.07Å
257R90.7Very high91.7Very high66 Ų6642.1 Ų42.125%0.24921%0.207CC..Hα-helixtrans-60.9-43.5174.8177.6-178.6166.1148.311.4111.9R209 T212 A259 A260 E261R209-R257 VanDerWaalsContact CB-NH1 3.29Å; T212-R257 HydrophobicContact CG2-CB 4.27Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 3.33Å; R257-A260 WeakPolarHBondContact O-CA 3.24Å; R257-A260 WeakPolarHBondContact O-CB 3.49Å; R257-A260 PolarHBondContact O-N 3.19Å; R257-E261 HydrophobicContact CG-CG 4.28Å; R257-E261 IonicContact CZ-OE1 2.61Å; R257-E261 IonicContact NE-OE1 2.7Å; R257-E261 PolarHBondContact NE-OE1 3.49Å; R257-E261 IonicContact NE-OE2 2.56Å; R257-E261 IonicContact NH2-OE1 3Å; R257-E261 PolarHBondContact NH2-OE1 3.18Å; R257-E261 PolarHBondContact O-N 3.02Å
258G91.5Very high91.5Very high26 Ų2637.9 Ų37.927%0.26819%0.186SC..Hα-helixtrans-61.5-32.8179.500000113.2R262G258-R262 WeakPolarHBondContact O-CB 3.39Å; G258-R262 VanDerWaalsContact O-CG 3.27Å; G258-R262 WeakPolarHBondContact O-CG 3.4Å; G258-R262 PolarHBondContact O-N 2.89Å; G258-R262 VanDerWaalsContact O-N 3.14Å; G258-R262 PolarHBondContact O-NH1 3.49Å
259A92.9Very high91Very high0 Ų038.1 Ų38.10%019%0.19CC..Hα-helixtrans-69.1-42.1171.700000111.9F235 F254 T256 R257 R262 A263F235-A259 WeakPolarHBondContact O-CB 3.48Å; F254-A259 HydrophobicContact CB-CB 4.4Å; F254-A259 HydrophobicContact CD1-CB 3.83Å; F254-A259 HydrophobicContact CE1-CB 4.46Å; F254-A259 HydrophobicContact CG-CB 4.28Å; T256-A259 PolarHBondContact O-N 3.46Å; T256-A259 WeakPolarHBondContact OG1-CB 3.47Å; T256-A259 PolarHBondContact OG1-N 3.27Å; R257-A259 VanDerWaalsContact C-N 3.26Å; R257-A259 PolarHBondContact O-N 3.33Å; A259-R262 PolarHBondContact O-N 3.01Å; A259-A263 VanDerWaalsContact O-CB 3.26Å; A259-A263 WeakPolarHBondContact O-CB 3.41Å; A259-A263 PolarHBondContact O-N 3.35Å
260A92.3Very high90.4Very high0 Ų042.8 Ų42.80%021%0.207CC..Hα-helixtrans-60.3-46.2176.200000111.7F254 T256 R257 A263 A264 W282F254-A260 HydrophobicContact CB-CB 4.09Å; F254-A260 HydrophobicContact CD2-CB 3.78Å; F254-A260 HydrophobicContact CG-CB 4.17Å; T256-A260 PolarHBondContact O-N 3.07Å; R257-A260 WeakPolarHBondContact O-CA 3.24Å; R257-A260 WeakPolarHBondContact O-CB 3.49Å; R257-A260 PolarHBondContact O-N 3.19Å; A260-A263 PolarHBondContact O-N 2.91Å; A260-A264 VanDerWaalsContact O-CB 3.27Å; A260-A264 WeakPolarHBondContact O-CB 3.26Å; A260-A264 PolarHBondContact O-N 3.17Å; A260-W282 HydrophobicContact CB-CH2 4.03Å; A260-W282 HydrophobicContact CB-CZ3 3.83Å
261E91.4Very high90.1Very high48 Ų4843 Ų4322%0.22421%0.208CC..Hα-helixtrans-63.2-47.9178.8-71176.6160.600111.8P205 R257 A263 A264 E265 W282P205-E261 HydrophobicContact CB-CG 4.42Å; R257-E261 HydrophobicContact CG-CG 4.28Å; R257-E261 IonicContact CZ-OE1 2.61Å; R257-E261 IonicContact NE-OE1 2.7Å; R257-E261 PolarHBondContact NE-OE1 3.49Å; R257-E261 IonicContact NE-OE2 2.56Å; R257-E261 IonicContact NH2-OE1 3Å; R257-E261 PolarHBondContact NH2-OE1 3.18Å; R257-E261 PolarHBondContact O-N 3.02Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 3.33Å; E261-A264 PolarHBondContact O-N 3.13Å; E261-E265 WeakPolarHBondContact O-CG 3.18Å; E261-E265 PolarHBondContact O-N 3.48Å; E261-W282 HydrophobicContact CB-CH2 4.32Å; E261-W282 HydrophobicContact CG-CH2 3.7Å; E261-W282 HydrophobicContact CG-CZ2 4.01Å
262R89.1Confident89.8Confident112 Ų11246.1 Ų46.142%0.42323%0.226SC..Hα-helixtrans-60-40.4175.6-73.2-172.5-54.2-98.23.4112.4F235 G258 A259 R266F235-R262 PolarHBondContact O-NH2 3.28Å; G258-R262 WeakPolarHBondContact O-CB 3.39Å; G258-R262 VanDerWaalsContact O-CG 3.27Å; G258-R262 WeakPolarHBondContact O-CG 3.4Å; G258-R262 PolarHBondContact O-N 2.89Å; G258-R262 VanDerWaalsContact O-N 3.14Å; G258-R262 PolarHBondContact O-NH1 3.49Å; A259-R262 PolarHBondContact O-N 3.01Å; R262-R266 WeakPolarHBondContact O-CB 2.85Å; R262-R266 VanDerWaalsContact O-CG 3.27Å; R262-R266 WeakPolarHBondContact O-CG 3.29Å; R262-R266 PolarHBondContact O-N 3.32Å
263A91.8Very high89.4Confident0 Ų047.4 Ų47.40%023%0.232CC..Hα-helixtrans-64.5-46.7176.400000110.7L214 F232 F235 F254 A259 A260 E261 R266 T267L214-A263 HydrophobicContact CD1-CB 3.87Å; F232-A263 HydrophobicContact CD1-CB 4.24Å; F232-A263 HydrophobicContact CE1-CB 4.49Å; F235-A263 HydrophobicContact CB-CB 3.76Å; F235-A263 HydrophobicContact CD1-CB 4.42Å; F235-A263 HydrophobicContact CD2-CB 3.56Å; F235-A263 HydrophobicContact CE2-CB 4.22Å; F235-A263 HydrophobicContact CG-CB 3.66Å; F254-A263 HydrophobicContact CE1-CB 4.41Å; F254-A263 HydrophobicContact CE2-CB 3.78Å; F254-A263 HydrophobicContact CZ-CB 3.57Å; A259-A263 VanDerWaalsContact O-CB 3.26Å; A259-A263 WeakPolarHBondContact O-CB 3.41Å; A259-A263 PolarHBondContact O-N 3.35Å; A260-A263 PolarHBondContact O-N 2.91Å; E261-A263 VanDerWaalsContact C-N 3.3Å; E261-A263 PolarHBondContact O-N 3.33Å; A263-R266 PolarHBondContact O-N 3.06Å; A263-T267 WeakPolarHBondContact O-CB 3.5Å; A263-T267 WeakPolarHBondContact O-CG2 3.46Å; A263-T267 PolarHBondContact O-N 3.43Å; A263-T267 PolarHBondContact O-OG1 3.23Å
264A91.4Very high88.8Confident1 Ų148.7 Ų48.71%0.00826%0.258CS..Hα-helixtrans-61.1-49.9-179.200000111.1L203 L214 A260 E261 R266 T267 Y268 W282L203-A264 HydrophobicContact CD2-CB 3.58Å; L214-A264 HydrophobicContact CD1-CB 4.3Å; L214-A264 HydrophobicContact CD2-CB 3.85Å; A260-A264 VanDerWaalsContact O-CB 3.27Å; A260-A264 WeakPolarHBondContact O-CB 3.26Å; A260-A264 PolarHBondContact O-N 3.17Å; E261-A264 PolarHBondContact O-N 3.13Å; A264-R266 VanDerWaalsContact C-N 3.35Å; A264-R266 PolarHBondContact O-N 3.47Å; A264-T267 PolarHBondContact O-N 2.98Å; A264-Y268 WeakPolarHBondContact O-CB 3.17Å; A264-Y268 PolarHBondContact O-N 3.29Å; A264-W282 HydrophobicContact CB-CH2 4.04Å; A264-W282 HydrophobicContact CB-CZ2 3.6Å
265E86.7Confident88.4Confident129 Ų12952 Ų5260%0.60329%0.293SS*.Hα-helixtrans-59.8-40.6178.8-72.6175.3-178.600113.2E261E261-E265 WeakPolarHBondContact O-CG 3.18Å; E261-E265 PolarHBondContact O-N 3.48Å
266R84.4Confident88.1Confident65 Ų6554.2 Ų54.225%0.24529%0.294CS..Hα-helixtrans-80.7-31.3-175.6-71.3-179.9173.7-156.3-6.5113.6A115 S116 F235 R262 A263 A264A115-R266 PolarHBondContact O-NH2 2.87Å; S116-R266 PolarHBondContact O-NH1 3.22Å; S116-R266 PolarHBondContact O-NH2 2.94Å; F235-R266 HydrophobicContact CE1-CB 3.76Å; F235-R266 VanDerWaalsContact CE1-CD 3.44Å; F235-R266 HydrophobicContact CE1-CG 4.25Å; F235-R266 HydrophobicContact CZ-CB 4.16Å; R262-R266 WeakPolarHBondContact O-CB 2.85Å; R262-R266 VanDerWaalsContact O-CG 3.27Å; R262-R266 WeakPolarHBondContact O-CG 3.29Å; R262-R266 PolarHBondContact O-N 3.32Å; A263-R266 PolarHBondContact O-N 3.06Å; A264-R266 VanDerWaalsContact C-N 3.35Å; A264-R266 PolarHBondContact O-N 3.47Å
267T87.5Confident88Confident3 Ų357.8 Ų57.82%0.01830%0.299CS..Hα-helixtrans-93.8-22-176.459.10000112.9F232 F235 A263 A264 D269 R270 L271F232-T267 HydrophobicContact CE1-CG2 3.85Å; F232-T267 HydrophobicContact CZ-CG2 4.19Å; F235-T267 HydrophobicContact CE2-CG2 3.66Å; F235-T267 HydrophobicContact CZ-CG2 3.62Å; A263-T267 WeakPolarHBondContact O-CB 3.5Å; A263-T267 WeakPolarHBondContact O-CG2 3.46Å; A263-T267 PolarHBondContact O-N 3.43Å; A263-T267 PolarHBondContact O-OG1 3.23Å; A264-T267 PolarHBondContact O-N 2.98Å; T267-D269 PolarHBondContact O-N 3.04Å; T267-R270 PolarHBondContact O-N 3.2Å; T267-R270 VanDerWaalsContact O-N 3.16Å; T267-L271 HydrophobicContact CG2-CD1 4.36Å; T267-L271 WeakPolarHBondContact O-CB 3.41Å; T267-L271 PolarHBondContact O-N 3.37Å; T267-L271 VanDerWaalsContact O-N 3.07Å
268Y87.3Confident88Confident47 Ų4754.7 Ų54.718%0.18429%0.288CS..THydrogen-bonded Turntrans-55.5123.7178.4-172.3-103000111.5P201 L203 A264 R270 V280P201-Y268 WeakPolarHBondContact O-CE1 3.43Å; L203-Y268 HydrophobicContact CB-CD1 4.39Å; L203-Y268 HydrophobicContact CB-CD2 3.7Å; L203-Y268 HydrophobicContact CB-CE2 4.02Å; L203-Y268 HydrophobicContact CB-CG 3.89Å; L203-Y268 HydrophobicContact CD1-CD2 4.06Å; L203-Y268 HydrophobicContact CD1-CE2 3.93Å; L203-Y268 HydrophobicContact CD2-CD2 3.97Å; L203-Y268 HydrophobicContact CG-CD2 4.11Å; L203-Y268 HydrophobicContact CG-CE2 4.4Å; A264-Y268 WeakPolarHBondContact O-CB 3.17Å; A264-Y268 PolarHBondContact O-N 3.29Å; Y268-R270 PolarHBondContact O-N 3.42Å; Y268-V280 VanDerWaalsContact CD2-O 3.29Å; Y268-V280 WeakPolarHBondContact CD2-O 3.45Å
269D82.3Confident88.1Confident85 Ų8557 Ų5746%0.45530%0.297SS..THydrogen-bonded Turntrans63.5-3.2179.3-15145.1000116.1T267 R277T267-D269 PolarHBondContact O-N 3.04Å; D269-R277 PolarHBondContact O-NE 3.44Å; D269-R277 PolarHBondContact O-NH2 3.09Å; D269-R277 IonicContact OD1-CZ 3.6Å; D269-R277 VanDerWaalsContact OD1-CZ 3.26Å; D269-R277 IonicContact OD1-NH1 3.59Å; D269-R277 IonicContact OD1-NH2 3.62Å; D269-R277 PolarHBondContact OD1-NH2 3.35Å; D269-R277 IonicContact OD2-NH2 2.77Å; D269-R277 PolarHBondContact OD2-NH2 2.87Å; D269-R277 VanDerWaalsContact OD2-NH2 3.11Å
270R80.9Confident88.1Confident99 Ų9957.2 Ų57.237%0.37430%0.298SS..THydrogen-bonded Turntrans-112.7-19.1-175.2-70.1176.2168.2-102.6-8.9114.4D125 T267 Y268 I272D125-R270 PolarHBondContact O-NH2 2.78Å; D125-R270 IonicContact OD1-CZ 3.26Å; D125-R270 IonicContact OD1-NE 2.62Å; D125-R270 PolarHBondContact OD1-NE 3.26Å; D125-R270 IonicContact OD1-NH2 3.11Å; D125-R270 PolarHBondContact OD1-NH2 3.08Å; T267-R270 PolarHBondContact O-N 3.2Å; T267-R270 VanDerWaalsContact O-N 3.16Å; Y268-R270 PolarHBondContact O-N 3.42Å; R270-I272 PolarHBondContact O-N 2.93Å; R270-I272 VanDerWaalsContact O-N 3.08Å
271L85.9Confident88.1Confident5 Ų560.6 Ų60.63%0.02632%0.316CS..  trans-67.5109.7-171.6-173.758.8000111.5H231 F232 T267 L273 R277 L278 V280H231-L271 VanDerWaalsContact NE2-CD1 3.28Å; H231-L271 WeakPolarHBondContact NE2-CD1 3.35Å; F232-L271 HydrophobicContact CE2-CD2 4.05Å; F232-L271 HydrophobicContact CZ-CD2 3.74Å; T267-L271 HydrophobicContact CG2-CD1 4.36Å; T267-L271 WeakPolarHBondContact O-CB 3.41Å; T267-L271 PolarHBondContact O-N 3.37Å; T267-L271 VanDerWaalsContact O-N 3.07Å; L271-L273 HydrophobicContact CD1-CD1 4Å; L271-L273 HydrophobicContact CD1-CD2 4.28Å; L271-L273 HydrophobicContact CD1-CG 3.77Å; L271-L273 HydrophobicContact CG-CD1 4.46Å; L271-L273 HydrophobicContact CG-CG 4.3Å; L271-R277 WeakPolarHBondContact O-CA 3.25Å; L271-L278 HydrophobicContact CB-CB 4.32Å; L271-L278 HydrophobicContact CD2-CB 3.81Å; L271-L278 HydrophobicContact CD2-CD1 3.86Å; L271-L278 HydrophobicContact CD2-CG 4.38Å; L271-L278 HydrophobicContact CG-CB 3.95Å; L271-L278 HydrophobicContact CG-CD1 4.1Å; L271-L278 HydrophobicContact CG-CG 4.35Å; L271-L278 PolarHBondContact O-N 3.44Å; L271-V280 HydrophobicContact CB-CG2 4.38Å; L271-V280 HydrophobicContact CD2-CG2 3.78Å
272I88.3Confident88.1Confident110 Ų11060.1 Ų60.156%0.56431%0.312SS*.EExtended strand (participates in β ladder)trans-121.9115.7172-58.2171.6000107.2R270 H276R270-I272 PolarHBondContact O-N 2.93Å; R270-I272 VanDerWaalsContact O-N 3.08Å; I272-H276 WeakPolarHBondContact CA-O 3.3Å
273L87.1Confident88Confident27 Ų2754.9 Ų54.914%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-128.1131.4177.8-69-179.2000109M223 L228 H231 L271 G275 H276 L278M223-L273 HydrophobicContact CE-CB 3.29Å; M223-L273 HydrophobicContact CE-CD1 4.19Å; M223-L273 HydrophobicContact CE-CG 4.39Å; M223-L273 HydrophobicContact SD-CB 4.49Å; M223-L273 HydrophobicContact SD-CD1 4.4Å; L228-L273 HydrophobicContact CD2-CD1 3.96Å; H231-L273 HydrophobicContact CB-CD1 4.21Å; H231-L273 HydrophobicContact CB-CD2 4.25Å; L271-L273 HydrophobicContact CD1-CD1 4Å; L271-L273 HydrophobicContact CD1-CD2 4.28Å; L271-L273 HydrophobicContact CD1-CG 3.77Å; L271-L273 HydrophobicContact CG-CD1 4.46Å; L271-L273 HydrophobicContact CG-CG 4.3Å; L273-G275 PolarHBondContact O-N 2.97Å; L273-H276 PolarHBondContact N-O 3.31Å; L273-H276 PolarHBondContact O-N 3.18Å; L273-L278 HydrophobicContact CB-CD1 4.15Å; L273-L278 HydrophobicContact CD1-CD1 3.87Å; L273-L278 HydrophobicContact CG-CD1 4.26Å
274G81.6Confident87.6Confident73 Ų7362 Ų6275%0.75332%0.324SS*.THydrogen-bonded Turntrans57.431.8-17700000113.7H276G274-H276 PolarHBondContact O-N 3.2Å; G274-H276 PolarHBondContact O-ND1 3.4Å
275G85.9Confident86.5Confident71 Ų7163.3 Ų63.373%0.73233%0.333SS*.THydrogen-bonded Turntrans77.1-0.9-17700000115.5L273L273-G275 PolarHBondContact O-N 2.97Å
276H87.1Confident85.5Confident99 Ų9962 Ų6246%0.45834%0.336SS..EExtended strand (participates in β ladder)trans-105.9133.9-179-64.876.5000110.7P220 I272 L273 G274 L278P220-H276 HydrophobicContact CG-CB 4.11Å; I272-H276 WeakPolarHBondContact CA-O 3.3Å; L273-H276 PolarHBondContact N-O 3.31Å; L273-H276 PolarHBondContact O-N 3.18Å; G274-H276 PolarHBondContact O-N 3.2Å; G274-H276 PolarHBondContact O-ND1 3.4Å; H276-L278 PolarHBondContact O-N 2.92Å
277R91.2Very high84.5Confident147 Ų14762.5 Ų62.556%0.55535%0.354SS*.EExtended strand (participates in β ladder)trans-79.7118.9176-170-177.4-163.4-162.69.4109.5D269 L271D269-R277 PolarHBondContact O-NE 3.44Å; D269-R277 PolarHBondContact O-NH2 3.09Å; D269-R277 IonicContact OD1-CZ 3.6Å; D269-R277 VanDerWaalsContact OD1-CZ 3.26Å; D269-R277 IonicContact OD1-NH1 3.59Å; D269-R277 IonicContact OD1-NH2 3.62Å; D269-R277 PolarHBondContact OD1-NH2 3.35Å; D269-R277 IonicContact OD2-NH2 2.77Å; D269-R277 PolarHBondContact OD2-NH2 2.87Å; D269-R277 VanDerWaalsContact OD2-NH2 3.11Å; L271-R277 WeakPolarHBondContact O-CA 3.25Å
278L92.2Very high83.3Confident2 Ų264.4 Ų64.41%0.0137%0.37CS..PPolyproline II helixtrans-96.9142.1177.9-55.3-176.3000110.1I216 G217 G218 I219 M223 L228 L271 L273 H276I216-L278 HydrophobicContact CG2-CB 3.93Å; I216-L278 HydrophobicContact CG2-CD1 3.97Å; I216-L278 HydrophobicContact CG2-CG 4.46Å; G217-L278 WeakPolarHBondContact O-CA 3.42Å; G218-L278 WeakPolarHBondContact O-CD2 3.11Å; I219-L278 HydrophobicContact CB-CD2 4.49Å; I219-L278 HydrophobicContact CG1-CD1 4.49Å; I219-L278 HydrophobicContact CG1-CD2 4.03Å; M223-L278 HydrophobicContact CE-CD1 4.12Å; M223-L278 HydrophobicContact SD-CD1 3.98Å; L228-L278 HydrophobicContact CD2-CD1 4.17Å; L271-L278 HydrophobicContact CB-CB 4.32Å; L271-L278 HydrophobicContact CD2-CB 3.81Å; L271-L278 HydrophobicContact CD2-CD1 3.86Å; L271-L278 HydrophobicContact CD2-CG 4.38Å; L271-L278 HydrophobicContact CG-CB 3.95Å; L271-L278 HydrophobicContact CG-CD1 4.1Å; L271-L278 HydrophobicContact CG-CG 4.35Å; L271-L278 PolarHBondContact O-N 3.44Å; L273-L278 HydrophobicContact CB-CD1 4.15Å; L273-L278 HydrophobicContact CD1-CD1 3.87Å; L273-L278 HydrophobicContact CG-CD1 4.26Å; H276-L278 PolarHBondContact O-N 2.92Å
279T92.2Very high82.2Confident75 Ų7566 Ų6646%0.4638%0.381SS..EExtended strand (participates in β ladder)trans-94.1137.2174.9580000109.5I216 G217I216-T279 CarbonylContact C-O 3.54Å; I216-T279 VanDerWaalsContact CA-O 3.22Å; I216-T279 WeakPolarHBondContact CA-O 3.44Å; G217-T279 WeakPolarHBondContact CA-OG1 3.04Å; G217-T279 PolarHBondContact N-O 3.14Å; G217-T279 PolarHBondContact O-N 2.88Å; G217-T279 PolarHBondContact O-OG1 3.06Å
280V92.8Very high81.3Confident3 Ų364.9 Ų64.92%0.01838%0.384CS..EExtended strand (participates in β ladder)trans-122.1126.8-179.1-177.60000109.1L214 Y215 Y268 L271L214-V280 HydrophobicContact CD1-CG1 4.35Å; Y215-V280 CarbonylContact O-C 3.48Å; Y215-V280 WeakPolarHBondContact O-CA 3.44Å; Y268-V280 VanDerWaalsContact CD2-O 3.29Å; Y268-V280 WeakPolarHBondContact CD2-O 3.45Å; L271-V280 HydrophobicContact CB-CG2 4.38Å; L271-V280 HydrophobicContact CD2-CG2 3.78Å
281N92.4Very high80.4Confident71 Ų7162.5 Ų62.538%0.3839%0.385SS..EExtended strand (participates in β ladder)trans-133.7164.4174.5-68.4-41.2000110.1Y215Y215-N281 HydrophobicContact CD1-CB 4.11Å; Y215-N281 PolarHBondContact N-O 3.04Å; Y215-N281 PolarHBondContact O-N 3.36Å
282W92.6Very high79.1Confident39 Ų3965.2 Ų65.215%0.14841%0.408CS..EExtended strand (participates in β ladder)trans-69133.6169.1-70.7108.6000110.8L203 V204 P205 P206 I211 L214 A260 E261 A264L203-W282 VanDerWaalsContact CG-CD1 3.49Å; V204-W282 PolarHBondContact O-NE1 2.59Å; V204-W282 VanDerWaalsContact O-NE1 3.09Å; P205-W282 HydrophobicContact CB-CZ2 4.19Å; P206-W282 HydrophobicContact CG-CD2 3.97Å; P206-W282 HydrophobicContact CG-CE3 3.92Å; P206-W282 HydrophobicContact CG-CG 4.24Å; P206-W282 HydrophobicContact CG-CZ3 4.39Å; I211-W282 HydrophobicContact CG2-CE3 4.47Å; L214-W282 HydrophobicContact CD2-CD2 3.99Å; L214-W282 HydrophobicContact CD2-CE3 3.48Å; L214-W282 VanDerWaalsContact CD2-CE3 3.48Å; L214-W282 HydrophobicContact CD2-CH2 4.19Å; L214-W282 HydrophobicContact CD2-CZ3 3.61Å; A260-W282 HydrophobicContact CB-CH2 4.03Å; A260-W282 HydrophobicContact CB-CZ3 3.83Å; E261-W282 HydrophobicContact CB-CH2 4.32Å; E261-W282 HydrophobicContact CG-CH2 3.7Å; E261-W282 HydrophobicContact CG-CZ2 4.01Å; A264-W282 HydrophobicContact CB-CH2 4.04Å; A264-W282 HydrophobicContact CB-CZ2 3.6Å
283G87.1Confident77.5Confident2 Ų265.5 Ų65.52%0.02141%0.411CS..PPolyproline II helixtrans-71.1139.1176.600000111I211 T213I211-G283 WeakPolarHBondContact CG2-O 3.41Å; T213-G283 WeakPolarHBondContact O-CA 3.24Å; T213-G283 PolarHBondContact O-N 3.25Å
284K82.7Confident75.9Confident148 Ų14867.7 Ų67.764%0.64343%0.429SS*.PPolyproline II helixtrans-71.6141.7168.8-59.7-176.7-179-170.60108.3L289K284-L289 HydrophobicContact CB-CD1 4.07Å; K284-L289 HydrophobicContact CB-CG 4.2Å
285S68.5Low74.4Confident30 Ų3071.1 Ų71.121%0.2143%0.425CS..PPolyproline II helixtrans-57.5143.4177.170.60000109.5A287 A288 L289S285-A287 PolarHBondContact O-N 3.41Å; S285-A287 VanDerWaalsContact O-N 3.14Å; S285-A288 WeakPolarHBondContact O-CA 3.36Å; S285-A288 PolarHBondContact O-N 3.39Å; S285-A288 WeakPolarHBondContact OG-CB 3.46Å; S285-A288 PolarHBondContact OG-N 2.81Å; S285-L289 PolarHBondContact O-N 3.39Å
286P66.4Low72.4Confident102 Ų10271.9 Ų71.966%0.66242%0.419SS*.Hα-helixtrans-55.2-32176.2-26.634.3000112.4L289 A290P286-L289 PolarHBondContact O-N 3.48Å; P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.37Å
287A62.1Low70.1Confident75 Ų7571.7 Ų71.762%0.6243%0.429SS*.Hα-helixtrans-66.4-41.7173.100000112.6S285 A290 A291S285-A287 PolarHBondContact O-N 3.41Å; S285-A287 VanDerWaalsContact O-N 3.14Å; A287-A290 PolarHBondContact O-N 3.06Å; A287-A291 WeakPolarHBondContact O-CB 3.34Å; A287-A291 PolarHBondContact O-N 2.99Å
288A62.8Low67.4Low43 Ų4370.3 Ų70.336%0.35544%0.437SS..Hα-helixtrans-69.3-35174.600000112.2S285 A292S285-A288 WeakPolarHBondContact O-CA 3.36Å; S285-A288 PolarHBondContact O-N 3.39Å; S285-A288 WeakPolarHBondContact OG-CB 3.46Å; S285-A288 PolarHBondContact OG-N 2.81Å; A288-A292 VanDerWaalsContact O-CB 3.24Å; A288-A292 WeakPolarHBondContact O-CB 3.25Å; A288-A292 PolarHBondContact O-N 2.85Å
289L63.9Low64.7Low81 Ų8177.4 Ų77.442%0.42447%0.47SS..Hα-helixtrans-66.4-42.7172-100151.4000111.5K284 S285 P286 A292 N293K284-L289 HydrophobicContact CB-CD1 4.07Å; K284-L289 HydrophobicContact CB-CG 4.2Å; S285-L289 PolarHBondContact O-N 3.39Å; P286-L289 PolarHBondContact O-N 3.48Å; L289-A292 PolarHBondContact O-N 2.72Å; L289-N293 WeakPolarHBondContact O-CB 3.14Å; L289-N293 PolarHBondContact O-N 3.31Å
290A64.4Low62.1Low61 Ų6181.6 Ų81.650%0.50450%0.496SS..Hα-helixtrans-61-45.5174.200000111.2P286 A287 N293 S294P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.37Å; A287-A290 PolarHBondContact O-N 3.06Å; A290-N293 PolarHBondContact O-N 2.94Å; A290-S294 PolarHBondContact O-N 3.32Å; A290-S294 PolarHBondContact O-OG 3.44Å
291A61.1Low59.3Low48 Ų4883.6 Ų83.640%0.39752%0.516SS..Hα-helixtrans-64-40.8176.800000113A287 S294 H295A287-A291 WeakPolarHBondContact O-CB 3.34Å; A287-A291 PolarHBondContact O-N 2.99Å; A291-S294 WeakPolarHBondContact CA-OG 3.48Å; A291-S294 PolarHBondContact O-OG 3.32Å; A291-H295 PolarHBondContact O-CD2 3.04Å; A291-H295 PolarHBondContact O-N 2.94Å
292A59Low56.5Low62 Ų6287.6 Ų87.651%0.51254%0.538SS..Hα-helixtrans-68.4-34.7176.900000112.2A288 L289A288-A292 VanDerWaalsContact O-CB 3.24Å; A288-A292 WeakPolarHBondContact O-CB 3.25Å; A288-A292 PolarHBondContact O-N 2.85Å; L289-A292 PolarHBondContact O-N 2.72Å
293N55.3Low54.3Low116 Ų11692.3 Ų92.362%0.6257%0.565SS**Hα-helixtrans-75.9-33.3179.5-149.150.2000111.9L289 A290 H295 S296L289-N293 WeakPolarHBondContact O-CB 3.14Å; L289-N293 PolarHBondContact O-N 3.31Å; A290-N293 PolarHBondContact O-N 2.94Å; N293-H295 VanDerWaalsContact C-N 3.33Å; N293-H295 PolarHBondContact O-N 3.36Å; N293-S296 PolarHBondContact O-N 3.5Å; N293-S296 PolarHBondContact O-OG 3.48Å
294S52.3Low51.9Low74 Ų7497.2 Ų97.252%0.51760%0.598SS.*Hα-helixtrans-70.9-21.9175.344.80000114.6A290 A291A290-S294 PolarHBondContact O-N 3.32Å; A290-S294 PolarHBondContact O-OG 3.44Å; A291-S294 WeakPolarHBondContact CA-OG 3.48Å; A291-S294 PolarHBondContact O-OG 3.32Å
295H50.6Low50.6Low145 Ų14596.8 Ų96.867%0.67160%0.602SS**THydrogen-bonded Turntrans-89.50.5174.2-83.1-63.9000114.1A291 N293A291-H295 PolarHBondContact O-CD2 3.04Å; A291-H295 PolarHBondContact O-N 2.94Å; N293-H295 VanDerWaalsContact C-N 3.33Å; N293-H295 PolarHBondContact O-N 3.36Å
296S44Very low50.2Low87 Ų87100.6 Ų100.661%0.60863%0.626SS**SBendtrans-98.70.7-177.668.80000115.2N293N293-S296 PolarHBondContact O-N 3.5Å; N293-S296 PolarHBondContact O-OG 3.48Å
297S38.8Very low49.8Very low95 Ų95101.4 Ų101.466%0.66463%0.632SS**SBendtrans-129.75.4-174.952.70000116.3
298T34.5Very low49.6Very low118 Ų118104.4 Ų104.472%0.72464%0.642SS**SBendtrans-151.351.4-176.7-31.30000114.4
299E35.9Very low49Very low151 Ų151108.4 Ų108.471%0.70666%0.664SS**  trans-141.878.5158.6-73.1-165159.700110.3G301E299-G301 PolarHBondContact O-N 3.31Å; E299-G301 VanDerWaalsContact O-N 3.13Å
300T36.4Very low48.3Very low163 Ų163108 Ų108100%168%0.679SS**  trans-72.976.1142.544.80000106.8
301G34.5Very low47.8Very low44 Ų44112.7 Ų112.745%0.45470%0.695SS.*  trans-135.1107.3-178.800000108.8E299 I303E299-G301 PolarHBondContact O-N 3.31Å; E299-G301 VanDerWaalsContact O-N 3.13Å; G301-I303 PolarHBondContact O-N 3.4Å; G301-I303 VanDerWaalsContact O-N 3.08Å
302D34Very low47.3Very low156 Ų156116.6 Ų116.683%0.83472%0.716SS**  trans-23.197.2169-167.221.5000115.5
303I46.6Very low47Very low138 Ų138121.5 Ų121.571%0.70873%0.733SS**  trans-104.689.3161.2-66.8168.2000106.8G301 L305G301-I303 PolarHBondContact O-N 3.4Å; G301-I303 VanDerWaalsContact O-N 3.08Å; I303-L305 HydrophobicContact CG2-CG 4.41Å; I303-L305 PolarHBondContact O-N 3.43Å; I303-L305 VanDerWaalsContact O-N 3.11Å
304S36.8Very low47.6Very low104 Ų104121.1 Ų121.173%0.72774%0.737SS**  trans-67.198170.4-175.20000109.7
305L54.7Low48.1Very low139 Ų139124 Ų12473%0.72875%0.754SS**PPolyproline II helixtrans-80.9136.2162.4-68.9171.4000108.4I303I303-L305 HydrophobicContact CG2-CG 4.41Å; I303-L305 PolarHBondContact O-N 3.43Å; I303-L305 VanDerWaalsContact O-N 3.11Å
306P59.7Low48.7Very low110 Ų110123.8 Ų123.871%0.71476%0.762SS**PPolyproline II helixtrans-62.1129.8-179.125.8-33.4000110.3V308P306-V308 PolarHBondContact O-N 3.13Å
307P58.3Low49.7Very low120 Ų120127.4 Ų127.478%0.77977%0.774SS**PPolyproline II helixtrans-70.6129.1-176.425.6-31.4000111P309P307-P309 WeakPolarHBondContact O-CD 3.43Å
308V57.5Low51Low138 Ų138128 Ų12884%0.83678%0.776SS**PPolyproline II helixtrans-65.5121.1172.2-178.80000108.8P306 G310P306-V308 PolarHBondContact O-N 3.13Å; V308-G310 PolarHBondContact O-N 3.17Å
309P50.5Low51.8Low127 Ų127128 Ų12883%0.82578%0.778SS**SBendtrans-67125.9177.2-19.832.6000111.3P307P307-P309 WeakPolarHBondContact O-CD 3.43Å
310G49.2Very low52.7Low71 Ų71127.7 Ų127.773%0.73279%0.787SS**  trans147.3-2.7154.700000121.2V308V308-G310 PolarHBondContact O-N 3.17Å
311L54.6Low52.9Low160 Ų160127.2 Ų127.284%0.83878%0.778SS**  trans-129.7135.1-179.4-11378.3000113.6
312P49.9Very low53.6Low130 Ų130133 Ų13384%0.84480%0.797SS**PPolyproline II helixtrans-78129.8-174.830.3-32.9000112.7
313L53.8Low54.1Low165 Ų165132.6 Ų132.686%0.86480%0.795SS**PPolyproline II helixtrans-87.6147.9177.1-8781.9000112.9
314P66.2Low53.7Low109 Ų109134 Ų13471%0.70880%0.803SS**PPolyproline II helixtrans-79.3160.3168.832.1-33.4000113.6
315P63.6Low53.8Low133 Ų133138.8 Ų138.886%0.86481%0.811SS**PPolyproline II helixtrans-78.8149.5-164.830-34.2000116
316V64.3Low53.3Low141 Ų141136.4 Ų136.486%0.85581%0.811SS**PPolyproline II helixtrans-89.5144.3-173.8176.40000112.7
317L64.3Low52.5Low163 Ų163139.7 Ų139.785%0.85382%0.819SS**PPolyproline II helixtrans-102.2149.3171-79.9161.2000111.7
318P65.3Low51.3Low109 Ų109140.1 Ų140.171%0.70882%0.82SS**PPolyproline II helixtrans-90.2159.7-168.735.8-35.5000114.7
319P51.1Low50.5Low117 Ų117141.3 Ų141.376%0.7682%0.82SS**PPolyproline II helixtrans-96140.9-176.735.7-30.5000113.5
320T56Low49.8Very low145 Ų145138.2 Ų138.289%0.8981%0.811SS**  trans-98.6110.9172.251.40000111.2
321N41.2Very low49.4Very low152 Ų152142.9 Ų142.981%0.81382%0.818SS**  trans-98.7116.3160.2-88.6-51000108
322L49.1Very low48.7Very low165 Ų165141 Ų14186%0.86482%0.819SS**  trans-169.6136.5150.2-119.6137.6000112.8
323L43.9Very low48.4Very low149 Ų149138.5 Ų138.578%0.7882%0.816SS**  trans95.966.9151.2-144.371000118.4
324N38.6Very low48Very low166 Ų166137.9 Ų137.989%0.88881%0.814SS**  trans-91.9140.2140.6-86.9-11.1000108.9
325K38.8Very low46.9Very low206 Ų206141.4 Ų141.490%0.89682%0.818SS**  trans110.789.1161.1-154.4162.7-172.2172.90116
326A42.8Very low46Very low88 Ų88144 Ų14473%0.72782%0.816SS**  trans-163.4120.3143.600000112.4
327M42.8Very low45.1Very low180 Ų180145.9 Ų145.989%0.88782%0.818SS**  trans81.994.5136.8-60.8-174.6-174.600121
328T34.2Very low44.7Very low129 Ų129144.6 Ų144.679%0.79182%0.817SS**  -9.3134119.7-440000116.6
329I41.2Very low45Very low162 Ų162145.1 Ų145.183%0.83182%0.82SS**  trans150124.7130.9-73.3163.8000108.9
330G36Very low46Very low62 Ų62145.2 Ų145.264%0.63982%0.821SS**  trans-92.2-174.9-171.100000116.3
331L40.1Very low47.1Very low170 Ų170144 Ų14489%0.8982%0.816SS**  trans-176.1118.1137.9-12384.5000111.1
332S39.5Very low48.9Very low121 Ų121142.5 Ų142.585%0.84681%0.814SS**  trans28.4131.2136.5-480000123.1
333G44.7Very low50.3Low76 Ų76140.2 Ų140.278%0.78481%0.809SS**  trans172.689.7156.500000113.9
334N43.9Very low52Low152 Ų152139 Ų13981%0.81381%0.81SS**  trans-62.6164172.8-75.622.9000112.5
335F43.8Very low54Low184 Ų184136.8 Ų136.881%0.80781%0.805SS**  176114.6118.9-103.5-102.3000111.3
336F44.3Very low55.9Low188 Ų188132.5 Ų132.583%0.82580%0.798SS**  trans76134.3145-76.7-105.9000124.2
337M45.2Very low57.5Low180 Ų180134.2 Ų134.289%0.88780%0.802SS**  trans-84.3144.5-179.7-52.8-158.286.300112.5
338T56.6Low59Low135 Ų135131.3 Ų131.383%0.82880%0.796SS**  trans-143137.1154.549.40000110.7
339P70.6Confident59.9Low120 Ų120131 Ų13178%0.77980%0.796SS**PPolyproline II helixtrans-81.5167.4-175.433.5-34.3000113.5
340P73.4Confident60.4Low119 Ų119130 Ų13077%0.77380%0.798SS**PPolyproline II helixtrans-77.5155.4-168.931.6-36000114.2
341P78.9Confident60.9Low121 Ų121132.3 Ų132.379%0.78680%0.8SS**PPolyproline II helixtrans-77.3149.4-179.631-34.4000113.6
342P78.9Confident60.8Low119 Ų119133.3 Ų133.377%0.77380%0.797SS**PPolyproline II helixtrans-82.2162.5179.932.7-35.1000114.4
343P78.9Confident60.7Low118 Ų118133.5 Ų133.577%0.76679%0.793SS**PPolyproline II helixtrans-78.2158.1-178.331.2-35.3000114.6
344P79.8Confident60.5Low122 Ų122137 Ų13779%0.79279%0.793SS**PPolyproline II helixtrans-78.4153.2-174.230.6-35.2000114.9
345P80.1Confident60.4Low120 Ų120137.5 Ų137.578%0.77979%0.794SS**PPolyproline II helixtrans-83.2159.2-177.532.9-35.5000114.8
346P78.7Confident60.1Low117 Ų117131.6 Ų131.676%0.7679%0.785SS**PPolyproline II helixtrans-82.3158.4-179.132.8-35.2000114.5
347P76.5Confident59.9Low123 Ų123128.1 Ų128.180%0.79978%0.784SS**PPolyproline II helixtrans-81.1148.9-177.231.8-34.8000114.2
348P73.8Confident59.7Low120 Ų120124.7 Ų124.778%0.77978%0.778SS**PPolyproline II helixtrans-85.8154.5176.133.3-33.9000113.7
349P54.3Low59.1Low121 Ų121122.8 Ų122.879%0.78677%0.77SS**PPolyproline II helixtrans-98.8147.8-178.837-30.2000112.5
350T51Low57.8Low141 Ų141123.4 Ų123.487%0.86577%0.767SS**  trans-148.8136.6158.9-31.40000112.8
351T45.1Very low56.5Low112 Ų112125.8 Ų125.869%0.68777%0.767SS**  trans-77.3142.7-170.821.80000115.8
352K38.8Very low54.7Low191 Ų191125.7 Ų125.783%0.8376%0.764SS**  trans63.3139.4134.6-64.6177.3177.3-179.10121.3
353T38.6Very low53.1Low124 Ų124124.9 Ų124.976%0.76176%0.761SS**  trans12597.9135.2-40.90000111.4
354L40Very low51.4Low150 Ų150124.2 Ų124.279%0.78576%0.76SS**  79.4141.793.4-142.299.1000114.1
355I42.4Very low49.5Very low163 Ų163123.4 Ų123.484%0.83676%0.757SS**  trans86.6131170.1-46.5155.5000112.6
356G36.6Very low48Very low60 Ų60129.6 Ų129.662%0.61977%0.765SS**  cis148.8125.17.300000108.5
357S40.4Very low46.6Very low114 Ų114132.6 Ų132.680%0.79777%0.771SS**  trans68.3132.7151.3-55.20000122.8
358S41.4Very low45.8Very low108 Ų108132.5 Ų132.576%0.75577%0.77SS**  trans59.5143.4133.654.30000119.7
359S42.4Very low44.7Very low95 Ų95135 Ų13566%0.66478%0.776SS**  cis-174.7168.5-3.8-80.20000106
360D43.4Very low44.3Very low133 Ų133136.8 Ų136.871%0.71178%0.777SS**  trans96.7131.7142-59.2-37.4000123.4
361H46.1Very low45Very low169 Ų169135.4 Ų135.478%0.78277%0.77SS**  trans76.4142.2148.4-64.5-51000119.5
362V42.7Very low45.7Very low119 Ų119135.6 Ų135.672%0.72177%0.774SS**  cis-171.1151.1-15.5128.40000105.3
363S44.3Very low46.1Very low102 Ų102132.5 Ų132.571%0.71377%0.773SS**  trans121.7111.5140.5-1190000119.7
364S43.2Very low46.8Very low104 Ų104134.2 Ų134.273%0.72778%0.776SS**  52.3147.3129.6-59.60000121.5
365S40.7Very low46.9Very low105 Ų105136.4 Ų136.473%0.73478%0.782SS**  cis179.1121.9-14.3-86.50000104.3
366R48.7Very low46.9Very low251 Ų251136.6 Ų136.695%0.94778%0.784SS**  trans175.2127.1145.3-109.8174.3170.7-173-3.4112.5
367M48.5Very low47.7Very low180 Ų180137.7 Ų137.789%0.88779%0.787SS**  trans-76.6157.9172.6-69.7-86.9169.600112
368P59.3Low48.6Very low120 Ų120137.8 Ų137.878%0.77979%0.785SS**  trans-132154133.425.3-7.2000114.4
369L51.9Low49.1Very low173 Ų173138.6 Ų138.691%0.90679%0.788SS**  trans-65.6153.5-174.2-76.597000115.8
370I44.7Very low49.7Very low159 Ų159140.7 Ų140.782%0.81580%0.796SS**  trans-87.1139.7172.6-62161.1000110.8
371P66.3Low50Low111 Ų111139 Ų13972%0.72180%0.801SS**  trans-104.5159.8154.7119.2000112.9
372P59.5Low50.4Low117 Ų117139.6 Ų139.676%0.7680%0.804SS**PPolyproline II helixtrans-86.5166.5-154.235.7-36.4000115.2
373P47.3Very low51.5Low125 Ų125139.1 Ų139.181%0.81280%0.804SS**PPolyproline II helixtrans-84.7148.3-176.934.5-32.4000112.9
374I53.4Low52.5Low161 Ų161139.8 Ų139.883%0.82681%0.806SS**PPolyproline II helixtrans-71.1135.5174.7-66.5169.8000109.7L376I374-L376 PolarHBondContact O-N 2.96Å
375Q41.9Very low53.3Low195 Ų195140.3 Ų140.391%0.91181%0.807SS**PPolyproline II helixtrans-57.2120.6-180-82.3174.9-30.900112.3
376L42.6Very low54Low167 Ų167141.8 Ų141.887%0.87481%0.813SS**PPolyproline II helixtrans-79.9132.1169.6-119.172.7000110.3I374I374-L376 PolarHBondContact O-N 2.96Å
377A52.1Low53.6Low83 Ų83133 Ų13369%0.68680%0.802SS**PPolyproline II helixtrans-61.8149.6164.600000110.8
378P59.2Low53.1Low116 Ų116133.8 Ų133.875%0.75380%0.803SS**PPolyproline II helixtrans-65.5141.8-178.726.6-33.4000111.3
379P52.3Low52.4Low125 Ų125134.7 Ų134.781%0.81280%0.801SS**PPolyproline II helixtrans-70133.7-178.128.5-33.2000111A381P379-A381 PolarHBondContact O-N 2.96Å
380V55.2Low51.9Low139 Ų139135.1 Ų135.184%0.84280%0.796SS**PPolyproline II helixtrans-64.3121.1165.61740000107.6E382V380-E382 PolarHBondContact O-N 3.1Å
381A49.6Very low51.8Low99 Ų99135.8 Ų135.882%0.81880%0.8SS**  trans-65.2106.2175.900000110.1P379P379-A381 PolarHBondContact O-N 2.96Å
382E53.9Low50.8Low180 Ų180142.1 Ų142.184%0.84181%0.809SS**PPolyproline II helixtrans-68.4133.5168.2-118.1176153.800109.7V380V380-E382 PolarHBondContact O-N 3.1Å
383P66.3Low50.3Low110 Ų110139.6 Ų139.671%0.71481%0.805SS**PPolyproline II helixtrans-68.9141.8170.228.7-31.6000109.8
384P66.8Low51Low116 Ų116139.5 Ų139.575%0.75380%0.804SS**PPolyproline II helixtrans-65.8145.5-178.127-33.9000111.3
385P59.4Low51.7Low115 Ų115137.5 Ų137.575%0.74780%0.801SS**PPolyproline II helixtrans-63.8146.3172.427.7-33.4000110G387P385-G387 PolarHBondContact O-N 2.86Å
386P56Low53.1Low135 Ų135133.7 Ų133.788%0.87779%0.794SS**  trans-66.9106.817726.2-30.6000109.3E388P386-E388 PolarHBondContact O-N 2.97Å
387G38.8Very low54.4Low68 Ų68131.2 Ų131.270%0.70179%0.788SS**  trans-69.7122.3170.500000110.5P385 L389P385-G387 PolarHBondContact O-N 2.86Å; G387-L389 PolarHBondContact O-N 3.45Å; G387-L389 VanDerWaalsContact O-N 3.11Å
388E39.5Very low54.9Low195 Ų195133.2 Ų133.291%0.91179%0.794SS**  trans-63.598.4154.8-79.4-162.2138.900108.3P386P386-E388 PolarHBondContact O-N 2.97Å
389L42.9Very low54.9Low140 Ų140135.1 Ų135.173%0.73380%0.797SS**  trans-151.5117.3166.1-85.3-169000110.4G387G387-L389 PolarHBondContact O-N 3.45Å; G387-L389 VanDerWaalsContact O-N 3.11Å
390F42.2Very low55.1Low182 Ų182134.2 Ų134.280%0.79879%0.791SS**  trans7694.1154.3-63.9-70.2000120R392F390-R392 PolarHBondContact O-N 2.77Å
391L43.3Very low54.5Low173 Ų173136.6 Ų136.691%0.90679%0.792SS**  -34.1107.3129.6-69.5159.3000112.7
392R45.3Very low54.3Low243 Ų243140.8 Ų140.892%0.91779%0.792SS**  trans174.3102.1138.1-107.3178.4153.2151.5-5109.7F390F390-R392 PolarHBondContact O-N 2.77Å
393G47.8Very low53.8Low65 Ų65138.4 Ų138.467%0.6779%0.79SS**PPolyproline II helixtrans-66.8151.5162.100000110.6
394P62.9Low52.7Low123 Ų123139.8 Ų139.880%0.79980%0.797SS**PPolyproline II helixtrans-64143.8176.627.4-32.7000110.4
395P67Low51.5Low118 Ų118145.6 Ų145.677%0.76680%0.803SS**PPolyproline II helixtrans-67.5150.8177.329-33.8000111.2
396P73Confident50.6Low116 Ų116145 Ų14575%0.75380%0.799SS**PPolyproline II helixtrans-65.9151.9172.428.3-33.5000111.3
397P70Confident49.8Very low114 Ų114144.2 Ų144.274%0.7479%0.793SS**PPolyproline II helixtrans-65.1150.7179.227.3-34.1000112
398P61.1Low49.9Very low125 Ų125147 Ų14781%0.81280%0.801SS**PPolyproline II helixtrans-69.7135.518028.3-31.9000111.1
399L59.3Low50.1Low157 Ų157145.6 Ų145.682%0.82280%0.799SS**PPolyproline II helixtrans-66.7137.1170.7-72.5164.3000109.7H401L399-H401 PolarHBondContact O-N 2.7Å
400P56.2Low50.2Low105 Ų105147 Ų14768%0.68281%0.807SS**PPolyproline II helixtrans-69.5124.1176.726.7-30.5000110.4F402P400-F402 PolarHBondContact O-N 3.26Å
401H42.9Very low50.4Low190 Ų190149.9 Ų149.988%0.8881%0.812SS**  trans-62.4113.7164-67.9-57.9000109.2L399L399-H401 PolarHBondContact O-N 2.7Å
402F46.4Very low51Low187 Ų187148.8 Ų148.882%0.8281%0.807SS**  trans-116124.8157.2-92.7-80.9000110.1P400P400-F402 PolarHBondContact O-N 3.26Å
403T43.4Very low52.1Low130 Ų130142.4 Ų142.480%0.79880%0.797SS**  trans-43.7131.5178.844.70000114.5
404V42.2Very low53.2Low139 Ų139144.9 Ų144.984%0.84280%0.802SS**  trans-58129164.9176.80000110.1
405R41.8Very low53.6Low237 Ų237144.8 Ų144.889%0.89480%0.801SS**  trans-129.2133.8156.5-119.1-179162.3-155.8-5107.9
406P39.8Very low53.7Low102 Ų102145.2 Ų145.266%0.66280%0.804SS**  trans-93.9152-157.337.5-35.3000113.6
407T40.5Very low53.3Low120 Ų120143.9 Ų143.974%0.73680%0.802SS**  trans51.2114.3146.1450000120
408S40.9Very low52.9Low127 Ų127144.2 Ų144.289%0.88881%0.805SS**  -153.4136118.5-82.50000110.8
409L43.8Very low53.1Low164 Ų164144.4 Ų144.486%0.85981%0.805SS**  trans-69.8127.8-169.9-61.2158.6000111.4
410L44.2Very low52.6Low171 Ų171141.6 Ų141.690%0.89581%0.805SS**  trans-151.9120.7148.8-104.6125.5000110.3
411R46.3Very low51.8Low242 Ų242144.8 Ų144.891%0.91382%0.816SS**  trans-83112.4-172.1-177.9178.4-174.3-146.32.5108.8
412N56.4Low51.8Low150 Ų150147.4 Ų147.480%0.80282%0.818SS**PPolyproline II helixtrans-97.8130.9169.6-78.3-27.7000110.4
413P67.2Low51.4Low109 Ų109146.1 Ų146.171%0.70882%0.819SS**PPolyproline II helixtrans-80.8163.9-174.832.7-33.7000113.1
414P71Confident51.3Low117 Ų117145.6 Ų145.676%0.7682%0.821SS**PPolyproline II helixtrans-69.7155.9179.330-35.3000112.5
415P72.6Confident51.1Low121 Ų121146.9 Ų146.979%0.78682%0.823SS**PPolyproline II helixtrans-67.2145.6-179.728.3-34.2000111.9
416P68Low51.1Low127 Ų127141.4 Ų141.483%0.82582%0.821SS**PPolyproline II helixtrans-76.7151.5-176.730.1-33.4000113.4
417A64.7Low51Low87 Ų87142.1 Ų142.172%0.71983%0.828SS**PPolyproline II helixtrans-68.6154.3175.700000112.8
418P62.3Low51.2Low122 Ų122141.6 Ų141.679%0.79283%0.83SS**PPolyproline II helixtrans-70.7139.9-179.829.1-33.5000111.4
419P65.1Low51.2Low128 Ų128143.7 Ų143.783%0.83183%0.83SS**PPolyproline II helixtrans-77141.7-179.429.3-31.1000112.3
420A47.9Very low51.4Low98 Ų98143.9 Ų143.981%0.8183%0.831SS**PPolyproline II helixtrans-76152.3176.700000113.1
421L39.1Very low52Low173 Ų173141.5 Ų141.591%0.90683%0.826SS**PPolyproline II helixtrans-47.8132176.3-64.8161.5000113.7
422R44.4Very low53Low245 Ų245138.4 Ų138.493%0.92582%0.824SS**  trans-141.8125.2152.6-78.6-171.6111.9-175.92110.5
423D37Very low53.4Low159 Ų159136.6 Ų136.685%0.8582%0.821SS**  trans-58.9139.4171-60.9-66000112.1
424S42.1Very low53.6Low120 Ų120137 Ų13784%0.83982%0.823SS**  trans-160.6104.6156.9-66.70000109.7
425N36.9Very low53.7Low165 Ų165137 Ų13788%0.88282%0.823SS**  trans-44.1129.9162.9-95.7-26.1000112
426S42.4Very low53.6Low122 Ų122136.8 Ų136.885%0.85382%0.822SS**  trans-173.2127130.3-800000111.4
427S38.7Very low54Low117 Ų117136.4 Ų136.482%0.81882%0.819SS**  trans-47.3135-178.6-49.20000115.6
428S43.5Very low54.5Low110 Ų110137.8 Ų137.877%0.76982%0.821SS**  trans-179.3112.5133-80.60000112
429L41.9Very low55Low170 Ų170137.5 Ų137.589%0.8982%0.819SS**  trans59.690.5145.7-54.5173.6000118.6
430L46.7Very low55.4Low168 Ų168137 Ų13788%0.8882%0.816SS**PPolyproline II helixtrans-91.4138.8164.6-64.4175000111
431P56.5Low56.7Low122 Ų122137.9 Ų137.979%0.79281%0.813SS**PPolyproline II helixtrans-78.9133.2168.230.1-26000110.2
432M67.4Low58.1Low177 Ų177135.1 Ų135.187%0.87281%0.806SS**PPolyproline II helixtrans-67.8144.5-179.4-66.1-171.972.400112.3
433P65.3Low59.2Low112 Ų112129.1 Ų129.173%0.72780%0.798SS**PPolyproline II helixtrans-72.3147.3170.430.4-32.5000111
434P71Confident60.7Low118 Ų118127 Ų12777%0.76679%0.793SS**PPolyproline II helixtrans-68.9150-178.928.5-34.2000112
435P74.3Confident61.2Low115 Ų115127.1 Ų127.175%0.74779%0.791SS**PPolyproline II helixtrans-70.2153.2179.329.4-34.2000112.1
436P70.7Confident61.5Low117 Ų117127.7 Ų127.776%0.7679%0.793SS**PPolyproline II helixtrans-67.3149.7177.628.3-34.1000112
437P75.5Confident61.6Low119 Ų119131.5 Ų131.577%0.77380%0.795SS**PPolyproline II helixtrans-67.2149.7-179.927.7-34000112
438P75.7Confident61.4Low117 Ų117131 Ų13176%0.7679%0.791SS**PPolyproline II helixtrans-68.6152.6-178.828.2-34.2000112.3
439P73.2Confident61.2Low116 Ų116134 Ų13475%0.75379%0.793SS**PPolyproline II helixtrans-66.2149.5179.127.7-34.2000112
440P73.4Confident61.1Low118 Ų118133 Ų13377%0.76679%0.787SS**PPolyproline II helixtrans-66.1149.1179.327.5-33.9000111.8
441P73.9Confident60.4Low116 Ų116131.8 Ų131.875%0.75378%0.782SS**PPolyproline II helixtrans-67.5150.5-178.327.8-34.1000112.1
442P69.2Low59.4Low114 Ų114132.7 Ų132.774%0.7479%0.785SS**PPolyproline II helixtrans-67149.8179.527.9-33.9000111.8
443P68.1Low57.6Low119 Ų119129.9 Ų129.977%0.77378%0.778SS**PPolyproline II helixtrans-65.2147.6178.227.2-33.6000111.6
444P69.2Low56.3Low115 Ų115131.1 Ų131.175%0.74778%0.784SS**PPolyproline II helixtrans-67.3151.6-179.627.8-34000112
445P51Low54.3Low123 Ų123131.7 Ų131.780%0.79979%0.786SS**PPolyproline II helixtrans-71.6132.2-174.428.4-32.7000111.5K447P445-K447 PolarHBondContact O-N 2.88Å; P445-K447 VanDerWaalsContact O-N 3.14Å
446L43.7Very low52.5Low176 Ų176131 Ų13192%0.92178%0.783SS**  trans-60.9114170.9-94.1102.2000109.6S448L446-S448 PolarHBondContact O-N 3.31Å
447K44.9Very low51.1Low203 Ų203132.9 Ų132.988%0.88379%0.786SS**  trans-70.3110.5163.4-75.9-178.7176.7179.60108.5P445P445-K447 PolarHBondContact O-N 2.88Å; P445-K447 VanDerWaalsContact O-N 3.14Å
448S34.4Very low49Very low105 Ų105134 Ų13473%0.73479%0.785SS**  trans-49.8135.6154.544.60000110L446L446-S448 PolarHBondContact O-N 3.31Å
449Q40Very low47Very low175 Ų175137.3 Ų137.382%0.81879%0.791SS**  trans-155.999.7146.7-83.6-11117.400109.3
450L40Very low45.1Very low147 Ų147137.1 Ų137.177%0.7779%0.792SS**  trans26.4115.1137.7-72.8113.4000120.6
451N31.3Very low43.4Very low144 Ų144140.8 Ų140.877%0.7780%0.796SS**  trans10.5128.2131.7-62.4-9.6000118.5
452T34.5Very low41.3Very low140 Ų140141.4 Ų141.486%0.85980%0.803SS**  -150.5117.4124-20.10000111.2
453T31.1Very low39.6Very low119 Ų119139.5 Ų139.573%0.7380%0.804SS**  trans-67.2134.5170.3-45.60000109.9
454T36.7Very low37.9Very low137 Ų137143.4 Ų143.484%0.8481%0.809SS**  trans-154.5114.7147.67.60000110.7
455T30Very low36Very low131 Ų131146.3 Ų146.380%0.80482%0.818SS**  trans-57.6134.3165.6-0.70000111.1
456S36.8Very low35.2Very low99 Ų99146.3 Ų146.369%0.69282%0.816SS**  -177.7126.8126.970.80000113.7
457L40.2Very low34.7Very low157 Ų157143.6 Ų143.682%0.82281%0.809SS**  trans76.999.5134.1-63.4164.1000120.4
458N31Very low34.3Very low142 Ų142137.9 Ų137.976%0.75980%0.799SS**  20.7122127.7-73.6-9.8000119.1
459E35.2Very low34.3Very low188 Ų188140 Ų14088%0.87980%0.803SS**  trans-147.2113.7131-125.8-179.4108.600110.9
460S32.8Very low33.9Very low111 Ų111139 Ų13978%0.77680%0.803SS**  trans-90.7123.3178.4-54.90000109.7
461K37.6Very low34Very low195 Ų195135.1 Ų135.185%0.84878%0.783SS**  trans-140.397.3162-114.1175.5-176.6169.70111.9
462S29.7Very low34.5Very low130 Ų130132.3 Ų132.391%0.90977%0.773SS**  trans23.3113.1137.7-163.70000118.2
463G32.8Very low34.8Very low73 Ų73128 Ų12875%0.75374%0.744SS**  trans-161.282.5170.200000113.1
464K33Very low35Very low202 Ų202124 Ų12488%0.87873%0.726SS**  trans37.393.1157.2-83.3173.3171.7172.60117.8T466K464-T466 PolarHBondContact O-N 3.24Å
465N29.2Very low35.2Very low175 Ų175119.3 Ų119.394%0.93670%0.696SS**  trans-65.5115.9154.3-78.5-19.7000109.7
466T35.3Very low35.7Very low123 Ų123114.3 Ų114.376%0.75566%0.663SS**PPolyproline II helixtrans-98.3138.3154.435.10000106.8K464 A468K464-T466 PolarHBondContact O-N 3.24Å; T466-A468 PolarHBondContact O-N 2.94Å; T466-A468 VanDerWaalsContact O-N 3.1Å
467P32.9Very low35.9Very low120 Ų120112.6 Ų112.678%0.77964%0.642SS**PPolyproline II helixtrans-67.2116.5-177.328.1-29.7000107.4D469P467-D469 PolarHBondContact O-N 3.47Å
468A35.1Very low36Very low82 Ų82106.6 Ų106.668%0.67861%0.612SS**PPolyproline II helixtrans-61.2118.8168.300000107T466 D470T466-A468 PolarHBondContact O-N 2.94Å; T466-A468 VanDerWaalsContact O-N 3.1Å; A468-D470 VanDerWaalsContact C-N 3.29Å; A468-D470 PolarHBondContact O-N 3.43Å
469D34.9Very low36.5Very low151 Ų151101.8 Ų101.881%0.80759%0.59SS**  trans-56.596.9166.6-71.8-59.7000108.1P467 D471P467-D469 PolarHBondContact O-N 3.47Å; D469-D471 PolarHBondContact O-N 3.39Å
470D32.3Very low37Very low153 Ų15396.8 Ų96.882%0.81857%0.567SS**  trans-60.985.7168.2-80.8-57000108.5A468 P472A468-D470 VanDerWaalsContact C-N 3.29Å; A468-D470 PolarHBondContact O-N 3.43Å; D470-P472 WeakPolarHBondContact O-CD 3.48Å; D470-P472 WeakPolarHBondContact O-CG 3.4Å
471D41.4Very low37.2Very low66 Ų6695 Ų9535%0.35355%0.548SS..  trans-81101.3175.6-124.5-64.7000108.6R138 D469 L473R138-D471 IonicContact CZ-OD2 2.64Å; R138-D471 IonicContact NH1-OD1 2.61Å; R138-D471 IonicContact NH1-OD2 2.8Å; R138-D471 PolarHBondContact NH1-OD2 2.95Å; R138-D471 IonicContact NH2-OD2 3.14Å; R138-D471 PolarHBondContact NH2-OD2 2.98Å; D469-D471 PolarHBondContact O-N 3.39Å; D471-L473 PolarHBondContact O-N 3.46Å
472P41.5Very low37.2Very low85 Ų8589.7 Ų89.755%0.55253%0.534SS*.THydrogen-bonded Turntrans-77.16.2-165.7-11.730000113.3D470D470-P472 WeakPolarHBondContact O-CD 3.48Å; D470-P472 WeakPolarHBondContact O-CG 3.4Å
473L42.2Very low37.6Very low48 Ų4891.7 Ų91.725%0.25153%0.529SS..THydrogen-bonded Turntrans-136.436.5-170.9-62.7175.6000113L193 D471 I475L193-L473 HydrophobicContact CD1-CD2 4.31Å; D471-L473 PolarHBondContact O-N 3.46Å; L473-I475 VanDerWaalsContact C-N 3.27Å; L473-I475 PolarHBondContact O-N 2.9Å
474G35Very low38.1Very low35 Ų3597.1 Ų97.136%0.36153%0.527SS..  trans-64.280.4167.400000112.1Y136 L173 H476Y136-G474 WeakPolarHBondContact OH-CA 3.27Å; L173-G474 WeakPolarHBondContact CD2-O 3.47Å; G474-H476 PolarHBondContact O-N 3.01Å
475I39.7Very low38.5Very low40 Ų4091.8 Ų91.821%0.20551%0.507CS..  trans-58.4108171.5-62.7169.9000107.7F50 Y136 L473F50-I475 HydrophobicContact CE2-CD1 4Å; F50-I475 HydrophobicContact CE2-CG2 4.3Å; F50-I475 HydrophobicContact CZ-CD1 3.87Å; F50-I475 HydrophobicContact CZ-CG2 3.96Å; Y136-I475 HydrophobicContact CD1-CB 4.41Å; Y136-I475 HydrophobicContact CD1-CD1 4.15Å; Y136-I475 HydrophobicContact CE1-CB 4.01Å; Y136-I475 HydrophobicContact CE1-CG1 4.39Å; L473-I475 VanDerWaalsContact C-N 3.27Å; L473-I475 PolarHBondContact O-N 2.9Å
476H40.3Very low38.7Very low26 Ų2686.4 Ų86.412%0.1249%0.493CS..  trans-75.9148.3-173.4-178.1-75.9000110.7T167 L173 S174 Q176 G474T167-H476 WeakPolarHBondContact CB-CD2 3.44Å; T167-H476 WeakPolarHBondContact CB-NE2 3.17Å; T167-H476 WeakPolarHBondContact CG2-CD2 3.14Å; T167-H476 PolarHBondContact OG1-CD2 3.47Å; T167-H476 PolarHBondContact OG1-NE2 2.81Å; L173-H476 HydrophobicContact CB-CB 4.21Å; L173-H476 HydrophobicContact CD2-CB 3.82Å; L173-H476 HydrophobicContact CG-CB 3.76Å; L173-H476 WeakPolarHBondContact O-CB 3.16Å; L173-H476 VanDerWaalsContact O-CG 3.22Å; L173-H476 PolarHBondContact O-ND1 2.85Å; S174-H476 WeakPolarHBondContact CA-CE1 3.47Å; S174-H476 WeakPolarHBondContact CA-ND1 3.19Å; Q176-H476 PolarHBondContact NE2-O 3.41Å; Q176-H476 PolarHBondContact OE1-O 3.37Å; G474-H476 PolarHBondContact O-N 3.01Å
477Y42.6Very low38.8Very low62 Ų6284 Ų8424%0.24348%0.481CS..  trans-88.7138177.9-97.5-86.9000110.2R139 R141 H143 S479R139-Y477 PolarHBondContact O-OH 3.15Å; R141-Y477 PolarHBondContact O-OH 3.04Å; H143-Y477 AromaticContact CE1-CD1 3.52Å; H143-Y477 AromaticContact CE1-CE1 3.66Å; Y477-S479 PolarHBondContact O-N 3.44Å
478P42.4Very low39.2Very low31 Ų3184.3 Ų84.320%0.20148%0.48CS..  trans-43.9133.1169.8-29.234.8000111.9Q176 L178Q176-P478 HydrophobicContact CB-CB 4.32Å; Q176-P478 HydrophobicContact CB-CG 3.96Å; Q176-P478 VanDerWaalsContact O-CB 3.3Å; Q176-P478 WeakPolarHBondContact O-CB 3.45Å; Q176-P478 WeakPolarHBondContact O-CG 3.13Å; L178-P478 HydrophobicContact CD1-CG 4.12Å
479S39.9Very low39.2Very low41 Ų4185.3 Ų85.329%0.28748%0.48SS..  trans-42.9138.5-175.561.50000113.2S174 Y477 N481S174-S479 PolarHBondContact O-N 2.83Å; Y477-S479 PolarHBondContact O-N 3.44Å; S479-N481 PolarHBondContact O-N 2.75Å
480Q45.8Very low39.4Very low83 Ų8387.8 Ų87.839%0.38849%0.486SS..  trans-77.639.1-166.4-59177.78.400113.1I144 P482I144-Q480 VanDerWaalsContact CD1-NE2 3.31Å; Q480-P482 WeakPolarHBondContact O-CD 3.42Å
481N37.4Very low39.5Very low74 Ų7486 Ų8640%0.39648%0.481SS..  trans-92.6106.6177.8-160.6-12.1000110.2S479 Q483 R484 L485S479-N481 PolarHBondContact O-N 2.75Å; N481-Q483 PolarHBondContact O-N 3Å; N481-Q483 VanDerWaalsContact O-N 3.1Å; N481-Q483 PolarHBondContact OD1-N 3.42Å; N481-R484 HydrophobicContact CB-CB 4.41Å; N481-R484 PolarHBondContact O-N 2.74Å; N481-L485 PolarHBondContact O-N 3.19Å
482P37Very low39.2Very low83 Ų8391.7 Ų91.754%0.53951%0.506SS..THydrogen-bonded Turntrans-59.3-22.6-179.621-30.3000113.2Q480 L485 S487Q480-P482 WeakPolarHBondContact O-CD 3.42Å; P482-L485 PolarHBondContact O-N 3.31Å; P482-S487 PolarHBondContact O-OG 3.5Å
483Q39.6Very low38.8Very low173 Ų17396.7 Ų96.781%0.80852%0.522SS*.THydrogen-bonded Turntrans-73.2-26.3174.7-69.5-178.6-44.400113.5N481N481-Q483 PolarHBondContact O-N 3Å; N481-Q483 VanDerWaalsContact O-N 3.1Å; N481-Q483 PolarHBondContact OD1-N 3.42Å
484R43.1Very low38.8Very low187 Ų187103.6 Ų103.671%0.70655%0.552SS**THydrogen-bonded Turntrans-85.2-13173.2-99.6-172.2177.8-151.40.9113.3N481N481-R484 HydrophobicContact CB-CB 4.41Å; N481-R484 PolarHBondContact O-N 2.74Å
485L40.4Very low38.6Very low90 Ų90112.8 Ų112.847%0.47159%0.593SS.*THydrogen-bonded Turntrans-97.512-175.8-94139.6000114.4N481 P482 S487N481-L485 PolarHBondContact O-N 3.19Å; P482-L485 PolarHBondContact O-N 3.31Å; L485-S487 VanDerWaalsContact C-N 3.31Å; L485-S487 PolarHBondContact O-N 2.87Å
486G34.1Very low38.5Very low61 Ų61116.5 Ų116.563%0.62961%0.613SS**THydrogen-bonded Turntrans59.538.1170.800000113.8
487S37.9Very low38.4Very low73 Ų73121.2 Ų121.251%0.5164%0.638SS.*  trans-107.798.8176.68.30000110.6P482 L485P482-S487 PolarHBondContact O-OG 3.5Å; L485-S487 VanDerWaalsContact C-N 3.31Å; L485-S487 PolarHBondContact O-N 2.87Å
488V41.6Very low38.2Very low126 Ų126124.5 Ų124.576%0.76466%0.66SS**  trans64.6126.2147.8-157.30000117.6H490V488-H490 PolarHBondContact O-N 3.14Å
489P34.2Very low37.9Very low103 Ų103130 Ų13067%0.66969%0.687SS**  trans-63.9136.4169.10.313.1000109.7T491P489-T491 PolarHBondContact O-N 3.21Å
490H38Very low37.8Very low204 Ų204135.6 Ų135.694%0.94471%0.712SS**SBendtrans-65.286.9165.3-108.8-76.2000108.5V488V488-H490 PolarHBondContact O-N 3.14Å
491T35.4Very low37.3Very low114 Ų114139.1 Ų139.170%0.69973%0.734SS**  trans-153.3135.1165.3-27.20000106.4P489P489-T491 PolarHBondContact O-N 3.21Å
492E34.9Very low37.3Very low187 Ų187143.7 Ų143.787%0.87476%0.758SS**SBendtrans86.175.6-172.7-49.7-171.4133.100115.6
493Q34.3Very low37.3Very low190 Ų190148.4 Ų148.489%0.88878%0.775SS**  trans175.789.4135.8-97.817312.200109.5
494H40.2Very low37.1Very low192 Ų192146.3 Ų146.389%0.88977%0.772SS**  trans-172.1111.2140.5-114-75.9000109
495D31.3Very low36.6Very low229 Ų229142.6 Ų142.6100%1.22578%0.778SS**  trans-59.60138.2-89.2-62.1000109.9

Retrieved 495 of 495 residues in 354.2 ms (Link to these results)

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