A0A077ZLF9_TRITR Loading...

PrpR N and LysE and Sigma54 activat domain contai ning protein

AlphaFold DB , UniProt , Accession A0A077ZLF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 653 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
1M31.7Very low43.2Very low225 Ų225128.9 Ų128.9100%1.10869%0.686SS**  0122.90-82.3171.9166.900107.5
2A30.7Very low46.7Very low105 Ų105119 Ų11987%0.86863%0.634SS**PPolyproline II helixtrans-77.1127.5174.800000108.6
3Y39Very low50Low150 Ų150111.8 Ų111.859%0.58860%0.597SS**PPolyproline II helixtrans-67.8149178.6-68-83.1000110.8
4P34.4Very low53.1Low73 Ų73103.8 Ų103.847%0.47456%0.555SS.*PPolyproline II helixtrans-61.5148.3-18023-31.9000112.9
5P34.1Very low55.9Low128 Ų12896.9 Ų96.983%0.83152%0.518SS*.PPolyproline II helixtrans-74.5153.8-174.527.8-33.2000114.7
6R40.2Very low58.3Low105 Ų10590.9 Ų90.940%0.39649%0.486SS..PPolyproline II helixtrans-75.5135.2-173.8-66.8-176.6176.1172.8-1.3113.3D10R6-D10 WeakPolarHBondContact CB-OD2 3.43Å
7L35.5Very low60.4Low148 Ų14885.5 Ų85.578%0.77546%0.457SS*.PPolyproline II helixtrans-103.6149.4168.1-80.6161.9000109.5D9L7-D9 VanDerWaalsContact C-N 3.28Å; L7-D9 PolarHBondContact O-N 3.26Å
8N38.3Very low62.1Low176 Ų17680.9 Ų80.994%0.94143%0.433SS*.SBendtrans-79.537.7-152.4-148.915.5000116.6
9D48.6Very low63.1Low158 Ų15880.5 Ų80.585%0.84543%0.433SS*.SBendtrans-148.838.1177.9-145.89.8000113.4L7 K11L7-D9 VanDerWaalsContact C-N 3.28Å; L7-D9 PolarHBondContact O-N 3.26Å; D9-K11 PolarHBondContact O-N 3.17Å
10D63.6Low63.8Low70 Ų7079.6 Ų79.637%0.37443%0.43SS..  trans-85.190.4-159.4-84.8-17.5000115.2R6 R61R6-D10 WeakPolarHBondContact CB-OD2 3.43Å; D10-R61 VanDerWaalsContact CG-NH1 3.32Å; D10-R61 IonicContact OD1-NH1 2.81Å; D10-R61 IonicContact OD2-CZ 3.26Å; D10-R61 IonicContact OD2-NH1 2.79Å; D10-R61 PolarHBondContact OD2-NH1 2.87Å
11K78.9Confident64.7Low80 Ų8078.3 Ų78.335%0.34842%0.42SS..  trans-54.4139.1156.5-71.7-178.7-177.31780110.2D9 V13 D34 H35D9-K11 PolarHBondContact O-N 3.17Å; K11-V13 PolarHBondContact O-N 2.74Å; K11-D34 PolarHBondContact NZ-O 2.81Å; K11-H35 VanDerWaalsContact CE-O 3.23Å; K11-H35 WeakPolarHBondContact CE-O 3.44Å
12P85.7Confident67.4Low10 Ų1068.3 Ų68.37%0.06537%0.37CS..  trans-51.1136.7170.8-22.829.8000111.8L36 A37 N38 D63 L190 T193 L197P12-L36 VanDerWaalsContact CD-O 3.31Å; P12-L36 WeakPolarHBondContact CD-O 3.39Å; P12-A37 HydrophobicContact CB-CB 4.38Å; P12-A37 CarbonylContact O-C 3.6Å; P12-A37 VanDerWaalsContact O-CA 3.32Å; P12-A37 WeakPolarHBondContact O-CA 3.22Å; P12-A37 VanDerWaalsContact O-CB 3.32Å; P12-A37 WeakPolarHBondContact O-CB 3.41Å; P12-N38 PolarHBondContact O-N 3.24Å; P12-D63 WeakPolarHBondContact CA-OD2 3.39Å; P12-L190 HydrophobicContact CG-CD2 4.2Å; P12-T193 HydrophobicContact CB-CG2 4.3Å; P12-L197 HydrophobicContact CG-CD1 3.97Å
13V89.8Confident70.1Confident25 Ų2565.1 Ų65.115%0.15234%0.337CS..EExtended strand (participates in β ladder)trans-96.5111.7176-174.20000109.4K11 N38 R61 D63 A64K11-V13 PolarHBondContact O-N 2.74Å; V13-N38 WeakPolarHBondContact CA-O 2.91Å; V13-N38 HydrophobicContact CG2-CB 4.35Å; V13-R61 WeakPolarHBondContact CG1-O 3.44Å; V13-D63 PolarHBondContact N-OD2 3.38Å; V13-D63 PolarHBondContact O-N 3Å; V13-A64 PolarHBondContact O-N 2.73Å
14I92.6Very high72.4Confident0 Ų063.6 Ų63.60%034%0.335CS..EExtended strand (participates in β ladder)trans-113.6128.9-177.5-60.6176.7000109.1A37 N38 I39 T40 A64 I66 A189 L190I14-A37 HydrophobicContact CD1-CB 3.8Å; I14-A37 HydrophobicContact CG1-CB 4.21Å; I14-N38 PolarHBondContact N-O 3.47Å; I14-I39 HydrophobicContact CB-CG1 4.46Å; I14-I39 CarbonylContact O-C 3.57Å; I14-I39 VanDerWaalsContact O-CA 3.29Å; I14-I39 WeakPolarHBondContact O-CA 3.25Å; I14-T40 PolarHBondContact O-N 3.47Å; I14-A64 WeakPolarHBondContact CA-O 3.42Å; I14-I66 HydrophobicContact CG2-CD1 3.68Å; I14-I66 HydrophobicContact CG2-CG1 3.79Å; I14-A189 HydrophobicContact CD1-CB 3.96Å; I14-L190 HydrophobicContact CD1-CD2 4.13Å; I14-L190 HydrophobicContact CD1-CG 4.29Å
15W95Very high75Confident0 Ų062 Ų620%032%0.323CS..EExtended strand (participates in β ladder)trans-105123.5174.1-64.1-7000110.3T40 I42 I53 K56 L57 E60 C62 A64 I65 I66W15-T40 WeakPolarHBondContact CA-O 3.48Å; W15-I42 HydrophobicContact CB-CD1 4.06Å; W15-I42 HydrophobicContact CD2-CD1 4Å; W15-I42 HydrophobicContact CE3-CD1 3.8Å; W15-I42 HydrophobicContact CG-CD1 4.14Å; W15-I53 HydrophobicContact CE3-CG1 4.3Å; W15-I53 HydrophobicContact CE3-CG2 4.12Å; W15-I53 HydrophobicContact CZ3-CB 4.38Å; W15-I53 HydrophobicContact CZ3-CG1 4.46Å; W15-I53 HydrophobicContact CZ3-CG2 3.84Å; W15-K56 HydrophobicContact CH2-CB 3.67Å; W15-K56 HydrophobicContact CH2-CD 3.67Å; W15-K56 HydrophobicContact CH2-CG 3.5Å; W15-K56 VanDerWaalsContact CH2-CG 3.5Å; W15-K56 HydrophobicContact CZ2-CB 4.49Å; W15-K56 HydrophobicContact CZ2-CD 3.76Å; W15-K56 HydrophobicContact CZ2-CG 3.82Å; W15-K56 HydrophobicContact CZ3-CB 4.05Å; W15-K56 HydrophobicContact CZ3-CD 4.07Å; W15-K56 HydrophobicContact CZ3-CG 4.21Å; W15-L57 HydrophobicContact CH2-CD2 3.8Å; W15-L57 HydrophobicContact CH2-CG 4.06Å; W15-L57 HydrophobicContact CZ3-CD2 3.83Å; W15-L57 HydrophobicContact CZ3-CG 3.88Å; W15-E60 HydrophobicContact CH2-CB 4.44Å; W15-E60 HydrophobicContact CZ2-CB 4.03Å; W15-C62 HydrophobicContact CD2-CB 3.75Å; W15-C62 HydrophobicContact CE3-CB 3.88Å; W15-C62 HydrophobicContact CG-CB 4.37Å; W15-C62 VanDerWaalsContact CG-SG 3.5Å; W15-C62 HydrophobicContact CH2-CB 3.9Å; W15-C62 HydrophobicContact CZ2-CB 3.78Å; W15-C62 HydrophobicContact CZ3-CB 3.97Å; W15-A64 PolarHBondContact N-O 3.46Å; W15-I65 HydrophobicContact CB-CG1 4.33Å; W15-I65 CarbonylContact O-C 3.56Å; W15-I65 VanDerWaalsContact O-CA 3.26Å; W15-I65 WeakPolarHBondContact O-CA 3.26Å; W15-I66 PolarHBondContact O-N 2.7Å
16T95.4Very high77.7Confident1 Ų156 Ų561%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-92.2130.4171.655.30000109F26 I39 T40 P41 I42 I66 F186T16-F26 HydrophobicContact CG2-CB 4.39Å; T16-F26 HydrophobicContact CG2-CD1 3.91Å; T16-F26 HydrophobicContact CG2-CD2 4.27Å; T16-F26 HydrophobicContact CG2-CE1 4.18Å; T16-F26 HydrophobicContact CG2-CE2 4.5Å; T16-F26 HydrophobicContact CG2-CG 3.98Å; T16-F26 HydrophobicContact CG2-CZ 4.47Å; T16-I39 HydrophobicContact CG2-CG2 4.05Å; T16-T40 PolarHBondContact N-O 2.75Å; T16-T40 VanDerWaalsContact N-O 3.1Å; T16-P41 WeakPolarHBondContact OG1-CA 3.36Å; T16-I42 PolarHBondContact O-N 2.92Å; T16-I66 HydrophobicContact CG2-CB 4.35Å; T16-F186 HydrophobicContact CG2-CE1 3.97Å; T16-F186 HydrophobicContact CG2-CE2 4.47Å; T16-F186 HydrophobicContact CG2-CZ 3.56Å
17V93.7Very high80Confident0 Ų057.3 Ų57.30%029%0.288CS..EExtended strand (participates in β ladder)trans-124.8112.5-175.8-170.20000110.1I42 L44 A49 I53 I65 I66 A67 N71 L75V17-I42 WeakPolarHBondContact CA-O 3.44Å; V17-I42 HydrophobicContact CG1-CG2 4.46Å; V17-I42 HydrophobicContact CG2-CB 4.22Å; V17-I42 HydrophobicContact CG2-CD1 4.38Å; V17-L44 WeakPolarHBondContact CG1-O 3.34Å; V17-A49 HydrophobicContact CG1-CB 3.89Å; V17-I53 HydrophobicContact CG1-CD1 4.38Å; V17-I53 HydrophobicContact CG2-CD1 3.76Å; V17-I65 HydrophobicContact CB-CG2 4.39Å; V17-I65 HydrophobicContact CG2-CG2 3.64Å; V17-I66 PolarHBondContact N-O 2.91Å; V17-A67 HydrophobicContact CB-CB 4.45Å; V17-N71 PolarHBondContact O-ND2 3.12Å; V17-L75 HydrophobicContact CB-CD1 3.76Å; V17-L75 HydrophobicContact CG1-CD1 3.65Å; V17-L75 HydrophobicContact CG2-CD1 4.19Å
18S90.2Very high82.5Confident3 Ų354.3 Ų54.32%0.02127%0.273CS..  trans-153.6166-175.953.70000111.5F23 F26 I42 Q43 L44S18-F23 WeakPolarHBondContact OG-CA 3.22Å; S18-F23 WeakPolarHBondContact OG-CB 3.43Å; S18-F23 PolarHBondContact OG-N 3.43Å; S18-F26 WeakPolarHBondContact OG-CD2 3.16Å; S18-I42 PolarHBondContact N-O 3.47Å; S18-Q43 CarbonylContact O-C 3.52Å; S18-Q43 WeakPolarHBondContact O-CA 3.24Å; S18-L44 PolarHBondContact O-N 2.87Å; S18-L44 VanDerWaalsContact O-N 3.16Å
19V81.3Confident85Confident72 Ų7246.2 Ų46.244%0.43623%0.23SC..SBendtrans-97.2-84.6178.1-170.40000111Q43V19-Q43 WeakPolarHBondContact O-CG 3.23Å; V19-Q43 PolarHBondContact O-NE2 2.94Å
20T76.8Confident86.9Confident62 Ų6239.4 Ų39.438%0.3820%0.195SC..SBendtrans-111-85-174.440.20000111.8L22 F23 D164T20-L22 VanDerWaalsContact C-N 3.35Å; T20-L22 PolarHBondContact O-N 3.23Å; T20-F23 WeakPolarHBondContact O-CA 3.23Å; T20-F23 WeakPolarHBondContact O-CB 3.39Å; T20-F23 PolarHBondContact O-N 2.57Å; T20-D164 PolarHBondContact OG1-OD2 3.18Å
21R83.5Confident88Confident54 Ų5441.7 Ų41.720%0.20421%0.206CC..Hα-helixtrans-62.8-36.9-166.3-58.7-173.7-168.2-129.2-5.3114.8F23 D164 E167 F175R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.73Å; R21-D164 IonicContact CZ-OD1 3.73Å; R21-D164 VanDerWaalsContact CZ-OD1 3.26Å; R21-D164 IonicContact NE-OD1 2.8Å; R21-D164 PolarHBondContact NE-OD1 2.72Å; R21-D164 IonicContact NH2-OD1 3.37Å; R21-D164 PolarHBondContact NH2-OD1 2.95Å; R21-E167 IonicContact CZ-OE1 2.87Å; R21-E167 VanDerWaalsContact CZ-OE1 3.29Å; R21-E167 IonicContact CZ-OE2 2.83Å; R21-E167 IonicContact NH1-OE1 3.13Å; R21-E167 PolarHBondContact NH1-OE1 2.61Å; R21-E167 IonicContact NH1-OE2 3.52Å; R21-E167 IonicContact NH2-OE1 3.29Å; R21-E167 PolarHBondContact NH2-OE1 2.81Å; R21-E167 IonicContact NH2-OE2 3.58Å; R21-E167 PolarHBondContact NH2-OE2 2.79Å; R21-F175 HydrophobicContact CB-CD2 3.84Å; R21-F175 HydrophobicContact CB-CE2 3.81Å; R21-F175 HydrophobicContact CB-CG 4.27Å; R21-F175 HydrophobicContact CB-CZ 4.25Å
22L87.3Confident88.4Confident14 Ų1441.9 Ų41.97%0.07321%0.208CC..Hα-helixtrans-71-24.5176.9-171.363.7000112.2T20 L25 F26 A68 F175 V182T20-L22 VanDerWaalsContact C-N 3.35Å; T20-L22 PolarHBondContact O-N 3.23Å; L22-L25 PolarHBondContact O-N 2.78Å; L22-F26 HydrophobicContact CD1-CE2 4.39Å; L22-F26 HydrophobicContact CD1-CZ 4.34Å; L22-F26 HydrophobicContact CD2-CD2 4.29Å; L22-F26 HydrophobicContact CD2-CE2 3.51Å; L22-F26 HydrophobicContact CD2-CZ 3.75Å; L22-F26 HydrophobicContact CG-CD2 3.82Å; L22-F26 HydrophobicContact CG-CE2 3.54Å; L22-F26 HydrophobicContact CG-CG 4.43Å; L22-F26 HydrophobicContact CG-CZ 3.92Å; L22-F26 WeakPolarHBondContact O-CB 3.19Å; L22-F26 WeakPolarHBondContact O-CD2 3.47Å; L22-F26 WeakPolarHBondContact O-CG 3.42Å; L22-F26 PolarHBondContact O-N 2.9Å; L22-A68 HydrophobicContact CD2-CB 3.42Å; L22-A68 VanDerWaalsContact CD2-CB 3.42Å; L22-F175 HydrophobicContact CB-CZ 3.89Å; L22-F175 HydrophobicContact CD1-CE1 4.34Å; L22-F175 HydrophobicContact CD1-CZ 4.03Å; L22-V182 HydrophobicContact CD1-CG2 4.1Å
23F88.3Confident88.6Confident39 Ų3942.6 Ų42.617%0.17121%0.211CC..Hα-helixtrans-65.5-41179.1-179.9-94.4000111.4S18 T20 R21 F26 R27 P41 Q43S18-F23 WeakPolarHBondContact OG-CA 3.22Å; S18-F23 WeakPolarHBondContact OG-CB 3.43Å; S18-F23 PolarHBondContact OG-N 3.43Å; T20-F23 WeakPolarHBondContact O-CA 3.23Å; T20-F23 WeakPolarHBondContact O-CB 3.39Å; T20-F23 PolarHBondContact O-N 2.57Å; R21-F23 VanDerWaalsContact C-N 3.26Å; R21-F23 PolarHBondContact O-N 2.73Å; F23-F26 PolarHBondContact O-N 3.49Å; F23-R27 WeakPolarHBondContact O-CB 3.24Å; F23-R27 PolarHBondContact O-N 3.4Å; F23-P41 HydrophobicContact CD2-CB 4.47Å; F23-P41 HydrophobicContact CE2-CB 3.73Å; F23-P41 HydrophobicContact CZ-CB 4.32Å; F23-Q43 HydrophobicContact CB-CG 4.44Å; F23-Q43 HydrophobicContact CD2-CB 3.82Å; F23-Q43 HydrophobicContact CD2-CG 3.72Å; F23-Q43 HydrophobicContact CE2-CB 3.66Å; F23-Q43 HydrophobicContact CE2-CG 3.99Å; F23-Q43 HydrophobicContact CG-CG 3.99Å; F23-Q43 HydrophobicContact CZ-CB 4.33Å
24E87Confident88.3Confident117 Ų11744.7 Ų44.755%0.54722%0.221SC..Hα-helixtrans-63.2-48.2176.9-63.3-176164.300111.2F26 R27 D28E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 2.98Å; E24-R27 WeakPolarHBondContact O-CB 3.4Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-R27 VanDerWaalsContact O-N 3.16Å; E24-D28 PolarHBondContact O-N 2.83Å
25L88.5Confident87.8Confident41 Ų4150.7 Ų50.722%0.21525%0.249CC..Hα-helixtrans-60.9-40.4174.8-82.3163.3000112.6L22 R27 D28 I29 F175L22-L25 PolarHBondContact O-N 2.78Å; L25-R27 VanDerWaalsContact C-N 3.35Å; L25-D28 PolarHBondContact O-N 2.83Å; L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.26Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 2.86Å; L25-F175 HydrophobicContact CD1-CD1 3.78Å; L25-F175 HydrophobicContact CD1-CE1 3.37Å; L25-F175 HydrophobicContact CD1-CZ 4.46Å
26F91.7Very high87.3Confident1 Ų153.4 Ų53.40%0.00426%0.263CS..Hα-helixtrans-62.9-42.5174.7-81.8-38.3000112.1T16 S18 L22 F23 E24 S30 I66 I86 V182 F186T16-F26 HydrophobicContact CG2-CB 4.39Å; T16-F26 HydrophobicContact CG2-CD1 3.91Å; T16-F26 HydrophobicContact CG2-CD2 4.27Å; T16-F26 HydrophobicContact CG2-CE1 4.18Å; T16-F26 HydrophobicContact CG2-CE2 4.5Å; T16-F26 HydrophobicContact CG2-CG 3.98Å; T16-F26 HydrophobicContact CG2-CZ 4.47Å; S18-F26 WeakPolarHBondContact OG-CD2 3.16Å; L22-F26 HydrophobicContact CD1-CE2 4.39Å; L22-F26 HydrophobicContact CD1-CZ 4.34Å; L22-F26 HydrophobicContact CD2-CD2 4.29Å; L22-F26 HydrophobicContact CD2-CE2 3.51Å; L22-F26 HydrophobicContact CD2-CZ 3.75Å; L22-F26 HydrophobicContact CG-CD2 3.82Å; L22-F26 HydrophobicContact CG-CE2 3.54Å; L22-F26 HydrophobicContact CG-CG 4.43Å; L22-F26 HydrophobicContact CG-CZ 3.92Å; L22-F26 WeakPolarHBondContact O-CB 3.19Å; L22-F26 WeakPolarHBondContact O-CD2 3.47Å; L22-F26 WeakPolarHBondContact O-CG 3.42Å; L22-F26 PolarHBondContact O-N 2.9Å; F23-F26 PolarHBondContact O-N 3.49Å; E24-F26 VanDerWaalsContact C-N 3.33Å; E24-F26 PolarHBondContact O-N 2.98Å; F26-S30 WeakPolarHBondContact O-CA 3.42Å; F26-S30 WeakPolarHBondContact O-CB 3.24Å; F26-S30 PolarHBondContact O-N 2.8Å; F26-S30 PolarHBondContact O-OG 2.95Å; F26-S30 VanDerWaalsContact O-OG 3.12Å; F26-I66 HydrophobicContact CE1-CG2 3.79Å; F26-I66 HydrophobicContact CZ-CB 4.38Å; F26-I66 HydrophobicContact CZ-CG2 3.76Å; F26-I86 HydrophobicContact CE1-CD1 3.55Å; F26-I86 HydrophobicContact CZ-CD1 3.54Å; F26-V182 HydrophobicContact CD1-CG1 3.62Å; F26-V182 HydrophobicContact CE1-CG1 3.84Å; F26-F186 AromaticContact CD1-CE2 3.91Å; F26-F186 HydrophobicContact CD1-CE2 3.91Å; F26-F186 HydrophobicContact CD1-CZ 4.28Å; F26-F186 HydrophobicContact CE1-CE2 4.4Å
27R88.9Confident86.9Confident132 Ų13253.4 Ų53.450%0.49826%0.263SS..Hα-helixtrans-60.7-48.8178.5-173.9-175.666.2-166.3-4.1110.6F23 E24 L25 I29 S30F23-R27 WeakPolarHBondContact O-CB 3.24Å; F23-R27 PolarHBondContact O-N 3.4Å; E24-R27 WeakPolarHBondContact O-CB 3.4Å; E24-R27 PolarHBondContact O-N 3.44Å; E24-R27 VanDerWaalsContact O-N 3.16Å; L25-R27 VanDerWaalsContact C-N 3.35Å; R27-I29 PolarHBondContact O-N 2.95Å; R27-S30 PolarHBondContact O-N 3.16Å; R27-S30 PolarHBondContact O-OG 3.39Å
28D88.1Confident86.7Confident86 Ų8657.2 Ų57.246%0.4628%0.283SS..Hα-helixtrans-65.3-41.8-176.8-63.5-9.1000111.7E24 L25E24-D28 PolarHBondContact O-N 2.83Å; L25-D28 PolarHBondContact O-N 2.83Å
29I89.6Confident86.8Confident6 Ų658.1 Ų58.13%0.03129%0.288CS..Hα-helixtrans-76.2-32178.9-59.9-58.6000112.2L25 R27 L31 E32 F33 A179 V182 R183 F186L25-I29 WeakPolarHBondContact O-CB 3.46Å; L25-I29 VanDerWaalsContact O-CG1 3.26Å; L25-I29 WeakPolarHBondContact O-CG1 3.41Å; L25-I29 PolarHBondContact O-N 2.86Å; R27-I29 PolarHBondContact O-N 2.95Å; I29-L31 PolarHBondContact O-N 2.81Å; I29-E32 VanDerWaalsContact O-CB 3.32Å; I29-E32 WeakPolarHBondContact O-CB 3.44Å; I29-E32 PolarHBondContact O-N 3.27Å; I29-F33 HydrophobicContact CG2-CD2 4.03Å; I29-F33 HydrophobicContact CG2-CE2 3.69Å; I29-F33 WeakPolarHBondContact O-CD2 3.42Å; I29-A179 HydrophobicContact CD1-CB 3.95Å; I29-V182 HydrophobicContact CB-CG1 4.03Å; I29-V182 HydrophobicContact CG1-CB 4.4Å; I29-V182 HydrophobicContact CG1-CG1 4.07Å; I29-V182 HydrophobicContact CG2-CG1 4.08Å; I29-R183 HydrophobicContact CD1-CG 4.13Å; I29-R183 HydrophobicContact CG2-CG 3.68Å; I29-F186 HydrophobicContact CB-CE2 4.35Å; I29-F186 HydrophobicContact CG2-CD2 3.8Å; I29-F186 HydrophobicContact CG2-CE2 3.96Å
30S88.7Confident87.3Confident15 Ų1556.7 Ų56.711%0.10528%0.279CS..Hα-helixtrans-58.2-34.1-179.162.20000113.1F26 R27 E32 F33 D34F26-S30 WeakPolarHBondContact O-CA 3.42Å; F26-S30 WeakPolarHBondContact O-CB 3.24Å; F26-S30 PolarHBondContact O-N 2.8Å; F26-S30 PolarHBondContact O-OG 2.95Å; F26-S30 VanDerWaalsContact O-OG 3.12Å; R27-S30 PolarHBondContact O-N 3.16Å; R27-S30 PolarHBondContact O-OG 3.39Å; S30-E32 PolarHBondContact O-N 2.91Å; S30-F33 CarbonylContact O-C 3.57Å; S30-F33 WeakPolarHBondContact O-CA 3.4Å; S30-F33 PolarHBondContact O-N 3.43Å; S30-D34 PolarHBondContact O-N 3.15Å
31L86.9Confident88.1Confident118 Ų11857 Ų5762%0.61828%0.283SS*.Hα-helixtrans-57.8-32.2176-63.1173.3000112.5I29 F33I29-L31 PolarHBondContact O-N 2.81Å; L31-F33 PolarHBondContact O-N 3.16Å
32E87.8Confident88.5Confident83 Ų8354.7 Ų54.739%0.38827%0.274SS..Hα-helixtrans-68-24.7176.4-57.1-179.8-166.600111.5I29 S30 H35 R183I29-E32 VanDerWaalsContact O-CB 3.32Å; I29-E32 WeakPolarHBondContact O-CB 3.44Å; I29-E32 PolarHBondContact O-N 3.27Å; S30-E32 PolarHBondContact O-N 2.91Å; E32-H35 PolarHBondContact O-CE1 2.87Å; E32-H35 PolarHBondContact O-ND1 3.4Å; E32-H35 VanDerWaalsContact O-ND1 3.1Å; E32-R183 IonicContact OE1-CZ 3.6Å; E32-R183 IonicContact OE1-NE 3.96Å; E32-R183 PolarHBondContact OE1-NE 3.15Å; E32-R183 IonicContact OE1-NH2 2.93Å; E32-R183 PolarHBondContact OE1-NH2 3.46Å; E32-R183 WeakPolarHBondContact OE2-CD 3.19Å; E32-R183 IonicContact OE2-CZ 2.67Å; E32-R183 IonicContact OE2-NE 3.33Å; E32-R183 PolarHBondContact OE2-NE 3.39Å; E32-R183 IonicContact OE2-NH2 3.97Å
33F89.4Confident88.8Confident26 Ų2659 Ų5911%0.11429%0.294CS..Hα-helixtrans-111.4-4.8-172.1-67.6-85.3000114.8I29 S30 L31 H35 L36 A37 I39 R183 F186 L190I29-F33 HydrophobicContact CG2-CD2 4.03Å; I29-F33 HydrophobicContact CG2-CE2 3.69Å; I29-F33 WeakPolarHBondContact O-CD2 3.42Å; S30-F33 CarbonylContact O-C 3.57Å; S30-F33 WeakPolarHBondContact O-CA 3.4Å; S30-F33 PolarHBondContact O-N 3.43Å; L31-F33 PolarHBondContact O-N 3.16Å; F33-H35 PolarHBondContact O-N 3.25Å; F33-H35 VanDerWaalsContact O-N 3.08Å; F33-L36 HydrophobicContact CD1-CD1 4.22Å; F33-L36 WeakPolarHBondContact O-CA 3.24Å; F33-L36 PolarHBondContact O-N 3.29Å; F33-A37 PolarHBondContact O-N 3.05Å; F33-I39 HydrophobicContact CB-CD1 3.63Å; F33-R183 HydrophobicContact CE2-CB 4.46Å; F33-R183 HydrophobicContact CE2-CG 4.21Å; F33-R183 HydrophobicContact CZ-CB 4.39Å; F33-F186 HydrophobicContact CD1-CB 4.11Å; F33-F186 HydrophobicContact CD2-CB 3.85Å; F33-F186 HydrophobicContact CD2-CD1 4.31Å; F33-F186 HydrophobicContact CD2-CD2 4.18Å; F33-F186 AromaticContact CD2-CG 3.88Å; F33-F186 HydrophobicContact CD2-CG 3.88Å; F33-F186 HydrophobicContact CE1-CB 3.86Å; F33-F186 HydrophobicContact CE2-CB 3.62Å; F33-F186 HydrophobicContact CE2-CD2 4.18Å; F33-F186 HydrophobicContact CE2-CG 4.02Å; F33-F186 HydrophobicContact CG-CB 4.1Å; F33-F186 HydrophobicContact CG-CD1 4.36Å; F33-F186 HydrophobicContact CG-CG 4.27Å; F33-F186 HydrophobicContact CZ-CB 3.61Å; F33-F186 HydrophobicContact CZ-CG 4.48Å; F33-L190 HydrophobicContact CD1-CD1 3.61Å; F33-L190 HydrophobicContact CE1-CD1 4.02Å
34D83.9Confident88.9Confident69 Ų6959.8 Ų59.837%0.36930%0.299SS..THydrogen-bonded Turntrans-56.4-27.8-178.9-80.1-16000113.8K11 S30 L36K11-D34 PolarHBondContact NZ-O 2.81Å; S30-D34 PolarHBondContact O-N 3.15Å; D34-L36 VanDerWaalsContact C-N 3.29Å
35H81.1Confident88.9Confident126 Ų12654.9 Ų54.958%0.58328%0.28SS*.THydrogen-bonded Turntrans-74.6-19.5175.470.3-78000113.1K11 E32 F33K11-H35 VanDerWaalsContact CE-O 3.23Å; K11-H35 WeakPolarHBondContact CE-O 3.44Å; E32-H35 PolarHBondContact O-CE1 2.87Å; E32-H35 PolarHBondContact O-ND1 3.4Å; E32-H35 VanDerWaalsContact O-ND1 3.1Å; F33-H35 PolarHBondContact O-N 3.25Å; F33-H35 VanDerWaalsContact O-N 3.08Å
36L85Confident88.7Confident57 Ų5756.4 Ų56.430%0.29829%0.285SS..THydrogen-bonded Turntrans-105.1-29.6-177.2-59.9177.7000113.8P12 F33 D34 L190P12-L36 VanDerWaalsContact CD-O 3.31Å; P12-L36 WeakPolarHBondContact CD-O 3.39Å; F33-L36 HydrophobicContact CD1-CD1 4.22Å; F33-L36 WeakPolarHBondContact O-CA 3.24Å; F33-L36 PolarHBondContact O-N 3.29Å; D34-L36 VanDerWaalsContact C-N 3.29Å; L36-L190 HydrophobicContact CB-CD1 3.98Å; L36-L190 HydrophobicContact CB-CD2 4.23Å; L36-L190 HydrophobicContact CD1-CD1 3.85Å
37A87.6Confident88.4Confident1 Ų160.4 Ų60.41%0.00830%0.304CS..SBendtrans-144.1153.3-178.300000111.5P12 I14 F33 I39 L190P12-A37 HydrophobicContact CB-CB 4.38Å; P12-A37 CarbonylContact O-C 3.6Å; P12-A37 VanDerWaalsContact O-CA 3.32Å; P12-A37 WeakPolarHBondContact O-CA 3.22Å; P12-A37 VanDerWaalsContact O-CB 3.32Å; P12-A37 WeakPolarHBondContact O-CB 3.41Å; I14-A37 HydrophobicContact CD1-CB 3.8Å; I14-A37 HydrophobicContact CG1-CB 4.21Å; F33-A37 PolarHBondContact O-N 3.05Å; A37-I39 HydrophobicContact CB-CG1 4.17Å; A37-I39 PolarHBondContact O-N 3.49Å; A37-L190 HydrophobicContact CB-CD2 3.8Å
38N88.4Confident88.4Confident80 Ų8061.9 Ų61.943%0.42831%0.314SS..EExtended strand (participates in β ladder)trans-85.5106.3166.9-71-22.7000108.4P12 V13 I14P12-N38 PolarHBondContact O-N 3.24Å; V13-N38 WeakPolarHBondContact CA-O 2.91Å; V13-N38 HydrophobicContact CG2-CB 4.35Å; I14-N38 PolarHBondContact N-O 3.47Å
39I92.2Very high88.5Confident22 Ų2257.8 Ų57.811%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-100.6124-175-59.7162.4000109.4I14 T16 F33 A37 F186I14-I39 HydrophobicContact CB-CG1 4.46Å; I14-I39 CarbonylContact O-C 3.57Å; I14-I39 VanDerWaalsContact O-CA 3.29Å; I14-I39 WeakPolarHBondContact O-CA 3.25Å; T16-I39 HydrophobicContact CG2-CG2 4.05Å; F33-I39 HydrophobicContact CB-CD1 3.63Å; A37-I39 HydrophobicContact CB-CG1 4.17Å; A37-I39 PolarHBondContact O-N 3.49Å; I39-F186 HydrophobicContact CD1-CD1 4.08Å; I39-F186 HydrophobicContact CD1-CE1 3.49Å; I39-F186 VanDerWaalsContact CD1-CE1 3.49Å; I39-F186 HydrophobicContact CD1-CZ 4.22Å; I39-F186 HydrophobicContact CG1-CE1 3.98Å; I39-F186 HydrophobicContact CG2-CE1 4.07Å; I39-F186 HydrophobicContact CG2-CZ 4.32Å
40T92.2Very high88.3Confident42 Ų4257.5 Ų57.526%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-113.2114.5175-53.60000110.1I14 W15 T16I14-T40 PolarHBondContact O-N 3.47Å; W15-T40 WeakPolarHBondContact CA-O 3.48Å; T16-T40 PolarHBondContact N-O 2.75Å; T16-T40 VanDerWaalsContact N-O 3.1Å
41P93.4Very high88.2Confident69 Ų6960.7 Ų60.745%0.44831%0.31SS..EExtended strand (participates in β ladder)trans-79.8130.3177.433.3-34.9000111.1T16 F23T16-P41 WeakPolarHBondContact OG1-CA 3.36Å; F23-P41 HydrophobicContact CD2-CB 4.47Å; F23-P41 HydrophobicContact CE2-CB 3.73Å; F23-P41 HydrophobicContact CZ-CB 4.32Å
42I92.8Very high88.4Confident4 Ų460 Ų602%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-118.8108.2177.9-59.4177.9000108.4W15 T16 V17 S18 L44 Y52 I53W15-I42 HydrophobicContact CB-CD1 4.06Å; W15-I42 HydrophobicContact CD2-CD1 4Å; W15-I42 HydrophobicContact CE3-CD1 3.8Å; W15-I42 HydrophobicContact CG-CD1 4.14Å; T16-I42 PolarHBondContact O-N 2.92Å; V17-I42 WeakPolarHBondContact CA-O 3.44Å; V17-I42 HydrophobicContact CG1-CG2 4.46Å; V17-I42 HydrophobicContact CG2-CB 4.22Å; V17-I42 HydrophobicContact CG2-CD1 4.38Å; S18-I42 PolarHBondContact N-O 3.47Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 HydrophobicContact CG2-CB 4.08Å; I42-L44 HydrophobicContact CG2-CD1 4.16Å; I42-L44 HydrophobicContact CG2-CG 4.24Å; I42-L44 PolarHBondContact O-N 2.79Å; I42-L44 VanDerWaalsContact O-N 3.1Å; I42-Y52 HydrophobicContact CD1-CD1 4.18Å; I42-Y52 HydrophobicContact CD1-CE1 3.97Å; I42-Y52 HydrophobicContact CG1-CE1 4.1Å; I42-Y52 HydrophobicContact CG2-CD1 3.83Å; I42-Y52 HydrophobicContact CG2-CE1 4.01Å; I42-I53 HydrophobicContact CD1-CD1 4.44Å; I42-I53 HydrophobicContact CD1-CG1 3.87Å
43Q92.8Very high88.5Confident106 Ų10656.1 Ų56.150%0.49528%0.281SS..  trans-87.458.7-178.3-155.6179.63.600112.5S18 V19 F23S18-Q43 CarbonylContact O-C 3.52Å; S18-Q43 WeakPolarHBondContact O-CA 3.24Å; V19-Q43 WeakPolarHBondContact O-CG 3.23Å; V19-Q43 PolarHBondContact O-NE2 2.94Å; F23-Q43 HydrophobicContact CB-CG 4.44Å; F23-Q43 HydrophobicContact CD2-CB 3.82Å; F23-Q43 HydrophobicContact CD2-CG 3.72Å; F23-Q43 HydrophobicContact CE2-CB 3.66Å; F23-Q43 HydrophobicContact CE2-CG 3.99Å; F23-Q43 HydrophobicContact CG-CG 3.99Å; F23-Q43 HydrophobicContact CZ-CB 4.33Å
44L91Very high88.4Confident55 Ų5561.3 Ų61.329%0.28830%0.3SS..  trans-138.2153.2-178.6-64.8172.2000110.8V17 S18 I42 K48 A49 Y52V17-L44 WeakPolarHBondContact CG1-O 3.34Å; S18-L44 PolarHBondContact O-N 2.87Å; S18-L44 VanDerWaalsContact O-N 3.16Å; I42-L44 VanDerWaalsContact C-N 3.28Å; I42-L44 HydrophobicContact CG2-CB 4.08Å; I42-L44 HydrophobicContact CG2-CD1 4.16Å; I42-L44 HydrophobicContact CG2-CG 4.24Å; I42-L44 PolarHBondContact O-N 2.79Å; I42-L44 VanDerWaalsContact O-N 3.1Å; L44-K48 HydrophobicContact CD2-CB 4.43Å; L44-A49 HydrophobicContact CB-CB 3.83Å; L44-Y52 HydrophobicContact CD1-CD1 3.99Å; L44-Y52 HydrophobicContact CD1-CD2 4.06Å; L44-Y52 HydrophobicContact CD1-CG 3.6Å
45G87.2Confident88.5Confident14 Ų1465.9 Ų65.914%0.14432%0.317CS..  trans-121.115617600000113.3E47 K48 A49 N71G45-E47 PolarHBondContact O-N 3.2Å; G45-K48 PolarHBondContact O-N 3.5Å; G45-A49 PolarHBondContact O-N 3.28Å; G45-N71 WeakPolarHBondContact CA-OD1 3.49Å
46F84.9Confident88.9Confident73 Ų7361.4 Ų61.432%0.3230%0.295SS..Hα-helixtrans50.8-130.5169.1-53.5-79000113K48 A49 V50 N71 Y74F46-K48 VanDerWaalsContact C-N 3.31Å; F46-K48 PolarHBondContact O-N 2.99Å; F46-A49 WeakPolarHBondContact O-CB 3.31Å; F46-A49 PolarHBondContact O-N 3.02Å; F46-A49 VanDerWaalsContact O-N 3.13Å; F46-V50 PolarHBondContact O-N 3.37Å; F46-N71 PolarHBondContact N-OD1 2.82Å; F46-Y74 VanDerWaalsContact C-CE1 3.48Å; F46-Y74 HydrophobicContact CB-CD1 4.25Å; F46-Y74 HydrophobicContact CB-CE1 4.25Å; F46-Y74 HydrophobicContact CD1-CD1 4.49Å; F46-Y74 HydrophobicContact CD1-CD2 4.03Å; F46-Y74 AromaticContact CD1-CG 3.96Å; F46-Y74 HydrophobicContact CD1-CG 3.96Å
47E83.9Confident88.7Confident85 Ų8559.6 Ų59.640%0.39729%0.286SS..Hα-helixtrans-64.9-33.3-173.9-167.457.3-152.900113.1G45 A49 V50 T51 Y74G45-E47 PolarHBondContact O-N 3.2Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 3.34Å; E47-V50 PolarHBondContact O-N 3.33Å; E47-T51 WeakPolarHBondContact O-CB 3.31Å; E47-T51 PolarHBondContact O-N 3.33Å; E47-T51 PolarHBondContact O-OG1 3.43Å; E47-Y74 HydrophobicContact CB-CE1 4.45Å; E47-Y74 PolarHBondContact OE2-OH 3.1Å
48K88.8Confident88.3Confident163 Ų16362.5 Ų62.571%0.70931%0.31SS*.Hα-helixtrans-61.6-42174.8-67.2-178.2-179.4176.10110.6L44 G45 F46 Y52L44-K48 HydrophobicContact CD2-CB 4.43Å; G45-K48 PolarHBondContact O-N 3.5Å; F46-K48 VanDerWaalsContact C-N 3.31Å; F46-K48 PolarHBondContact O-N 2.99Å; K48-Y52 VanDerWaalsContact O-CB 3.3Å; K48-Y52 WeakPolarHBondContact O-CB 3.25Å; K48-Y52 PolarHBondContact O-N 3.11Å; K48-Y52 VanDerWaalsContact O-N 3.09Å
49A90.6Very high87.8Confident0 Ų065 Ų650%032%0.323CS..Hα-helixtrans-66.4-46.3175.900000111.9V17 L44 G45 F46 E47 T51 Y52 I53 L75V17-A49 HydrophobicContact CG1-CB 3.89Å; L44-A49 HydrophobicContact CB-CB 3.83Å; G45-A49 PolarHBondContact O-N 3.28Å; F46-A49 WeakPolarHBondContact O-CB 3.31Å; F46-A49 PolarHBondContact O-N 3.02Å; F46-A49 VanDerWaalsContact O-N 3.13Å; E47-A49 VanDerWaalsContact C-N 3.3Å; E47-A49 PolarHBondContact O-N 3.34Å; A49-T51 PolarHBondContact O-N 3.45Å; A49-Y52 PolarHBondContact O-N 2.84Å; A49-I53 HydrophobicContact CB-CD1 4.37Å; A49-I53 VanDerWaalsContact O-CB 3.26Å; A49-I53 WeakPolarHBondContact O-CB 3.39Å; A49-I53 WeakPolarHBondContact O-CD1 2.99Å; A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.48Å; A49-L75 HydrophobicContact CB-CD2 3.98Å
50V85.2Confident87.4Confident0 Ų067.8 Ų67.80%034%0.336CS..Hα-helixtrans-58.1-47.5178.5174.60000111.3F46 E47 I53 R54 Y74 L75 R78 L79F46-V50 PolarHBondContact O-N 3.37Å; E47-V50 PolarHBondContact O-N 3.33Å; V50-I53 PolarHBondContact O-N 3.17Å; V50-R54 HydrophobicContact CG1-CG 4.41Å; V50-R54 WeakPolarHBondContact O-CB 2.83Å; V50-R54 WeakPolarHBondContact O-CG 3.45Å; V50-R54 PolarHBondContact O-N 3.02Å; V50-Y74 HydrophobicContact CG2-CD1 3.99Å; V50-Y74 HydrophobicContact CG2-CE1 3.89Å; V50-L75 HydrophobicContact CG2-CD2 3.71Å; V50-R78 HydrophobicContact CG1-CB 4.24Å; V50-R78 HydrophobicContact CG2-CB 4.15Å; V50-L79 HydrophobicContact CG1-CD2 4.24Å
51T86.2Confident86.8Confident82 Ų8268.1 Ų68.150%0.50333%0.333SS..Hα-helixtrans-62.4-46.1-179.7-58.40000111.2E47 A49 K55E47-T51 WeakPolarHBondContact O-CB 3.31Å; E47-T51 PolarHBondContact O-N 3.33Å; E47-T51 PolarHBondContact O-OG1 3.43Å; A49-T51 PolarHBondContact O-N 3.45Å; T51-K55 PolarHBondContact O-N 3.05Å; T51-K55 VanDerWaalsContact O-N 3.16Å
52Y91.6Very high86.5Confident104 Ų10465.6 Ų65.641%0.40832%0.316SS..Hα-helixtrans-62.1-48.5177.4179.9-96.3000112.1I42 L44 K48 A49 K55 K56I42-Y52 HydrophobicContact CD1-CD1 4.18Å; I42-Y52 HydrophobicContact CD1-CE1 3.97Å; I42-Y52 HydrophobicContact CG1-CE1 4.1Å; I42-Y52 HydrophobicContact CG2-CD1 3.83Å; I42-Y52 HydrophobicContact CG2-CE1 4.01Å; L44-Y52 HydrophobicContact CD1-CD1 3.99Å; L44-Y52 HydrophobicContact CD1-CD2 4.06Å; L44-Y52 HydrophobicContact CD1-CG 3.6Å; K48-Y52 VanDerWaalsContact O-CB 3.3Å; K48-Y52 WeakPolarHBondContact O-CB 3.25Å; K48-Y52 PolarHBondContact O-N 3.11Å; K48-Y52 VanDerWaalsContact O-N 3.09Å; A49-Y52 PolarHBondContact O-N 2.84Å; Y52-K55 PolarHBondContact O-N 3.25Å; Y52-K56 HydrophobicContact CE1-CD 3.84Å; Y52-K56 WeakPolarHBondContact O-CB 3.43Å; Y52-K56 PolarHBondContact O-N 3.34Å
53I90.4Very high86.2Confident0 Ų066.9 Ų66.90%032%0.323CS..Hα-helixtrans-62.5-45.3-179.4-71.3166.3000110.6W15 V17 I42 A49 V50 K55 K56 L57 I65 L75 L79W15-I53 HydrophobicContact CE3-CG1 4.3Å; W15-I53 HydrophobicContact CE3-CG2 4.12Å; W15-I53 HydrophobicContact CZ3-CB 4.38Å; W15-I53 HydrophobicContact CZ3-CG1 4.46Å; W15-I53 HydrophobicContact CZ3-CG2 3.84Å; V17-I53 HydrophobicContact CG1-CD1 4.38Å; V17-I53 HydrophobicContact CG2-CD1 3.76Å; I42-I53 HydrophobicContact CD1-CD1 4.44Å; I42-I53 HydrophobicContact CD1-CG1 3.87Å; A49-I53 HydrophobicContact CB-CD1 4.37Å; A49-I53 VanDerWaalsContact O-CB 3.26Å; A49-I53 WeakPolarHBondContact O-CB 3.39Å; A49-I53 WeakPolarHBondContact O-CD1 2.99Å; A49-I53 WeakPolarHBondContact O-CG1 3.09Å; A49-I53 PolarHBondContact O-N 3.48Å; V50-I53 PolarHBondContact O-N 3.17Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.33Å; I53-K56 PolarHBondContact O-N 3.01Å; I53-K56 VanDerWaalsContact O-N 3.16Å; I53-L57 HydrophobicContact CG2-CD1 3.77Å; I53-L57 HydrophobicContact CG2-CG 4.11Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 VanDerWaalsContact O-CG 3.24Å; I53-L57 WeakPolarHBondContact O-CG 3.21Å; I53-L57 PolarHBondContact O-N 2.72Å; I53-I65 HydrophobicContact CD1-CD1 4.4Å; I53-I65 HydrophobicContact CG2-CD1 4.09Å; I53-L75 HydrophobicContact CD1-CD2 4.1Å; I53-L79 HydrophobicContact CB-CD1 4.45Å; I53-L79 HydrophobicContact CB-CD2 4.42Å; I53-L79 HydrophobicContact CD1-CD1 4.02Å; I53-L79 HydrophobicContact CG2-CD1 3.76Å; I53-L79 HydrophobicContact CG2-CD2 3.81Å; I53-L79 HydrophobicContact CG2-CG 4.45Å
54R87.1Confident86.2Confident135 Ų13561.9 Ų61.951%0.50930%0.3SS..Hα-helixtrans-59.9-41.3177-76.7177.5177.1171-0.2112.4V50 A58 R78 L79V50-R54 HydrophobicContact CG1-CG 4.41Å; V50-R54 WeakPolarHBondContact O-CB 2.83Å; V50-R54 WeakPolarHBondContact O-CG 3.45Å; V50-R54 PolarHBondContact O-N 3.02Å; R54-A58 PolarHBondContact O-N 3.47Å; R54-R78 PolarHBondContact NH2-O 3.2Å; R54-L79 HydrophobicContact CG-CD2 4.06Å
55K85.3Confident86.3Confident165 Ų16559.2 Ų59.272%0.71729%0.286SS*.Hα-helixtrans-65.1-40.2175.9-171.2178.2180-179.30111.5T51 Y52 I53 A58T51-K55 PolarHBondContact O-N 3.05Å; T51-K55 VanDerWaalsContact O-N 3.16Å; Y52-K55 PolarHBondContact O-N 3.25Å; I53-K55 VanDerWaalsContact C-N 3.32Å; I53-K55 PolarHBondContact O-N 3.33Å; K55-A58 WeakPolarHBondContact O-CB 3.5Å; K55-A58 PolarHBondContact O-N 3.09Å
56K89.3Confident86.7Confident32 Ų3258.6 Ų58.614%0.13928%0.279CS..Hα-helixtrans-69.6-42.2178.7-161174.7171.967.80111.7W15 Y52 I53 A58 N59 E60W15-K56 HydrophobicContact CH2-CB 3.67Å; W15-K56 HydrophobicContact CH2-CD 3.67Å; W15-K56 HydrophobicContact CH2-CG 3.5Å; W15-K56 VanDerWaalsContact CH2-CG 3.5Å; W15-K56 HydrophobicContact CZ2-CB 4.49Å; W15-K56 HydrophobicContact CZ2-CD 3.76Å; W15-K56 HydrophobicContact CZ2-CG 3.82Å; W15-K56 HydrophobicContact CZ3-CB 4.05Å; W15-K56 HydrophobicContact CZ3-CD 4.07Å; W15-K56 HydrophobicContact CZ3-CG 4.21Å; Y52-K56 HydrophobicContact CE1-CD 3.84Å; Y52-K56 WeakPolarHBondContact O-CB 3.43Å; Y52-K56 PolarHBondContact O-N 3.34Å; I53-K56 PolarHBondContact O-N 3.01Å; I53-K56 VanDerWaalsContact O-N 3.16Å; K56-A58 PolarHBondContact O-N 3.49Å; K56-A58 VanDerWaalsContact O-N 3.12Å; K56-N59 PolarHBondContact O-N 2.84Å; K56-E60 WeakPolarHBondContact CE-OE2 3.15Å; K56-E60 HydrophobicContact CG-CB 4.2Å; K56-E60 HydrophobicContact CG-CG 4.2Å; K56-E60 WeakPolarHBondContact CG-OE1 3.35Å; K56-E60 IonicContact NZ-OE1 3.29Å; K56-E60 PolarHBondContact NZ-OE1 2.98Å; K56-E60 IonicContact NZ-OE2 3.7Å; K56-E60 PolarHBondContact NZ-OE2 2.93Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 PolarHBondContact O-N 2.88Å
57L82.9Confident87.1Confident20 Ų2055.1 Ų55.111%0.10526%0.264CS..Hα-helixtrans-60.4-19.8176.3-73.8173.6000114.2W15 I53 N59 E60 C62 V81W15-L57 HydrophobicContact CH2-CD2 3.8Å; W15-L57 HydrophobicContact CH2-CG 4.06Å; W15-L57 HydrophobicContact CZ3-CD2 3.83Å; W15-L57 HydrophobicContact CZ3-CG 3.88Å; I53-L57 HydrophobicContact CG2-CD1 3.77Å; I53-L57 HydrophobicContact CG2-CG 4.11Å; I53-L57 WeakPolarHBondContact O-CB 3.49Å; I53-L57 VanDerWaalsContact O-CG 3.24Å; I53-L57 WeakPolarHBondContact O-CG 3.21Å; I53-L57 PolarHBondContact O-N 2.72Å; L57-N59 VanDerWaalsContact C-N 3.27Å; L57-E60 WeakPolarHBondContact CA-O 3.04Å; L57-C62 HydrophobicContact CD2-CB 3.57Å; L57-V81 HydrophobicContact CD1-CG2 3.69Å; L57-V81 HydrophobicContact CD2-CG2 3.71Å; L57-V81 HydrophobicContact CG-CG2 4.38Å
58A77.3Confident87.3Confident62 Ų6251.6 Ų51.651%0.51225%0.249SC..THydrogen-bonded Turntrans-67.8-29.8174.200000112.4R54 K55 K56R54-A58 PolarHBondContact O-N 3.47Å; K55-A58 WeakPolarHBondContact O-CB 3.5Å; K55-A58 PolarHBondContact O-N 3.09Å; K56-A58 PolarHBondContact O-N 3.49Å; K56-A58 VanDerWaalsContact O-N 3.12Å
59N79.2Confident87.1Confident132 Ų13244.3 Ų44.371%0.70622%0.221SC*.THydrogen-bonded Turntrans-117.8-23.9-173.6-61.2-27.9000113K56 L57K56-N59 PolarHBondContact O-N 2.84Å; L57-N59 VanDerWaalsContact C-N 3.27Å
60E82.7Confident86.7Confident80 Ų8045 Ų4537%0.37423%0.226SC..SBendtrans-122.7149.9-172.7-62.9-179.1-14200111.3W15 K56 L57W15-E60 HydrophobicContact CH2-CB 4.44Å; W15-E60 HydrophobicContact CZ2-CB 4.03Å; K56-E60 WeakPolarHBondContact CE-OE2 3.15Å; K56-E60 HydrophobicContact CG-CB 4.2Å; K56-E60 HydrophobicContact CG-CG 4.2Å; K56-E60 WeakPolarHBondContact CG-OE1 3.35Å; K56-E60 IonicContact NZ-OE1 3.29Å; K56-E60 PolarHBondContact NZ-OE1 2.98Å; K56-E60 IonicContact NZ-OE2 3.7Å; K56-E60 PolarHBondContact NZ-OE2 2.93Å; K56-E60 WeakPolarHBondContact O-CB 3.49Å; K56-E60 PolarHBondContact O-N 2.88Å; L57-E60 WeakPolarHBondContact CA-O 3.04Å
61R80.8Confident86.7Confident50 Ų5045.6 Ų45.619%0.18923%0.229CC..  trans-84.2140.4175176.2177.7165.7-160.2-13.6110.4D10 V13 D63 L197D10-R61 VanDerWaalsContact CG-NH1 3.32Å; D10-R61 IonicContact OD1-NH1 2.81Å; D10-R61 IonicContact OD2-CZ 3.26Å; D10-R61 IonicContact OD2-NH1 2.79Å; D10-R61 PolarHBondContact OD2-NH1 2.87Å; V13-R61 WeakPolarHBondContact CG1-O 3.44Å; R61-D63 IonicContact CZ-OD1 3.52Å; R61-D63 IonicContact CZ-OD2 3.65Å; R61-D63 IonicContact NE-OD1 2.61Å; R61-D63 PolarHBondContact NE-OD1 2.97Å; R61-D63 IonicContact NE-OD2 3.7Å; R61-D63 PolarHBondContact NE-OD2 2.82Å; R61-D63 VanDerWaalsContact NH2-CG 3.32Å; R61-D63 IonicContact NH2-OD1 3.67Å; R61-D63 PolarHBondContact NH2-OD1 3.32Å; R61-D63 IonicContact NH2-OD2 2.81Å; R61-D63 PolarHBondContact NH2-OD2 3.48Å; R61-L197 VanDerWaalsContact NH2-CD2 3.29Å
62C86.4Confident86.8Confident16 Ų1641.7 Ų41.711%0.10821%0.205CC..  trans-137.8123.3167.6-174.10000108.1W15 L57 A64 V81W15-C62 HydrophobicContact CD2-CB 3.75Å; W15-C62 HydrophobicContact CE3-CB 3.88Å; W15-C62 HydrophobicContact CG-CB 4.37Å; W15-C62 VanDerWaalsContact CG-SG 3.5Å; W15-C62 HydrophobicContact CH2-CB 3.9Å; W15-C62 HydrophobicContact CZ2-CB 3.78Å; W15-C62 HydrophobicContact CZ3-CB 3.97Å; L57-C62 HydrophobicContact CD2-CB 3.57Å; C62-A64 PolarHBondContact SG-O 3.16Å; C62-A64 VanDerWaalsContact SG-O 3.33Å; C62-V81 HydrophobicContact CB-CG1 4.36Å
63D86.7Confident86.3Confident31 Ų3137.9 Ų37.917%0.16620%0.195CC..SBendtrans-89.3-31.6-179.7-61.9-53.4000111.7P12 V13 R61 T193P12-D63 WeakPolarHBondContact CA-OD2 3.39Å; V13-D63 PolarHBondContact N-OD2 3.38Å; V13-D63 PolarHBondContact O-N 3Å; R61-D63 IonicContact CZ-OD1 3.52Å; R61-D63 IonicContact CZ-OD2 3.65Å; R61-D63 IonicContact NE-OD1 2.61Å; R61-D63 PolarHBondContact NE-OD1 2.97Å; R61-D63 IonicContact NE-OD2 3.7Å; R61-D63 PolarHBondContact NE-OD2 2.82Å; R61-D63 VanDerWaalsContact NH2-CG 3.32Å; R61-D63 IonicContact NH2-OD1 3.67Å; R61-D63 PolarHBondContact NH2-OD1 3.32Å; R61-D63 IonicContact NH2-OD2 2.81Å; R61-D63 PolarHBondContact NH2-OD2 3.48Å; D63-T193 HydrophobicContact CB-CG2 3.53Å
64A91.9Very high85.9Confident0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-157.3150.1-179.500000111.8V13 I14 W15 C62 I84 T193V13-A64 PolarHBondContact O-N 2.73Å; I14-A64 WeakPolarHBondContact CA-O 3.42Å; W15-A64 PolarHBondContact N-O 3.46Å; C62-A64 PolarHBondContact SG-O 3.16Å; C62-A64 VanDerWaalsContact SG-O 3.33Å; A64-I84 HydrophobicContact CB-CD1 3.59Å; A64-T193 HydrophobicContact CB-CG2 3.59Å
65I93.6Very high85.7Confident0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-115.6132.1174.3-64.6171.9000108.9W15 V17 I53 L75 L79 V81 P82 V83 I84W15-I65 HydrophobicContact CB-CG1 4.33Å; W15-I65 CarbonylContact O-C 3.56Å; W15-I65 VanDerWaalsContact O-CA 3.26Å; W15-I65 WeakPolarHBondContact O-CA 3.26Å; V17-I65 HydrophobicContact CB-CG2 4.39Å; V17-I65 HydrophobicContact CG2-CG2 3.64Å; I53-I65 HydrophobicContact CD1-CD1 4.4Å; I53-I65 HydrophobicContact CG2-CD1 4.09Å; I65-L75 HydrophobicContact CG2-CD1 4.43Å; I65-L79 HydrophobicContact CD1-CD1 3.52Å; I65-V81 HydrophobicContact CD1-CB 4.04Å; I65-V81 HydrophobicContact CD1-CG1 4.12Å; I65-V81 HydrophobicContact CG1-CB 4.46Å; I65-V81 HydrophobicContact CG1-CG1 3.99Å; I65-P82 PolarHBondContact N-O 2.91Å; I65-V83 HydrophobicContact CB-CG2 4.22Å; I65-V83 HydrophobicContact CG2-CG1 4.31Å; I65-V83 HydrophobicContact CG2-CG2 4.5Å; I65-V83 CarbonylContact O-C 3.52Å; I65-V83 WeakPolarHBondContact O-CA 3.22Å; I65-I84 PolarHBondContact O-N 2.83Å
66I95.1Very high85.6Confident0 Ų032.6 Ų32.60%018%0.175CC..EExtended strand (participates in β ladder)trans-106.7124.9172.3-52.9177000108.7I14 W15 T16 V17 F26 I84 I86 A185 F186 A189I14-I66 HydrophobicContact CG2-CD1 3.68Å; I14-I66 HydrophobicContact CG2-CG1 3.79Å; W15-I66 PolarHBondContact O-N 2.7Å; T16-I66 HydrophobicContact CG2-CB 4.35Å; V17-I66 PolarHBondContact N-O 2.91Å; F26-I66 HydrophobicContact CE1-CG2 3.79Å; F26-I66 HydrophobicContact CZ-CB 4.38Å; F26-I66 HydrophobicContact CZ-CG2 3.76Å; I66-I84 HydrophobicContact CG1-CB 4.47Å; I66-I86 HydrophobicContact CG2-CD1 3.65Å; I66-I86 HydrophobicContact CG2-CG1 3.76Å; I66-A185 HydrophobicContact CG2-CB 4.03Å; I66-F186 HydrophobicContact CD1-CB 4.5Å; I66-F186 HydrophobicContact CD1-CD1 3.57Å; I66-F186 HydrophobicContact CD1-CD2 4.39Å; I66-F186 HydrophobicContact CD1-CE1 3.81Å; I66-F186 HydrophobicContact CD1-CG 3.89Å; I66-F186 HydrophobicContact CD1-CZ 4.35Å; I66-A189 HydrophobicContact CD1-CB 3.74Å; I66-A189 HydrophobicContact CG1-CB 3.93Å
67A93.1Very high85Confident0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-150.2162.3179.400000111V17 G72 L75 V83 I84 L85 I86V17-A67 HydrophobicContact CB-CB 4.45Å; A67-G72 VanDerWaalsContact CB-CA 3.5Å; A67-L75 HydrophobicContact CB-CD1 3.85Å; A67-V83 HydrophobicContact CB-CG1 4.3Å; A67-I84 PolarHBondContact N-O 3.33Å; A67-I84 VanDerWaalsContact O-O 3.11Å; A67-L85 CarbonylContact O-C 3.58Å; A67-L85 WeakPolarHBondContact O-CA 3.44Å; A67-I86 PolarHBondContact O-N 3.15Å
68A89.9Confident84.9Confident11 Ų1139 Ų399%0.09121%0.209CC..EExtended strand (participates in β ladder)trans-126.9159-177.400000112.9L22 G72 I86 Y177L22-A68 HydrophobicContact CD2-CB 3.42Å; L22-A68 VanDerWaalsContact CD2-CB 3.42Å; A68-G72 PolarHBondContact O-N 2.8Å; A68-I86 HydrophobicContact CB-CB 3.88Å; A68-I86 HydrophobicContact CB-CG1 4.44Å; A68-Y177 HydrophobicContact CB-CE1 4.19Å; A68-Y177 HydrophobicContact CB-CE2 4.05Å
69G83.8Confident85Confident11 Ų1137 Ų3711%0.11319%0.19CC..Hα-helixtrans54.4-144.4172.300000114.8N71 G72 A73 Y177G69-N71 VanDerWaalsContact C-N 3.3Å; G69-N71 PolarHBondContact O-N 2.84Å; G69-G72 PolarHBondContact O-N 3.1Å; G69-A73 PolarHBondContact O-N 3.45Å; G69-A73 VanDerWaalsContact O-N 3.1Å; G69-Y177 PolarHBondContact N-OH 3.37Å
70S81.7Confident84.9Confident14 Ų1435.4 Ų35.410%0.09819%0.189CC..Hα-helixtrans-58.3-39.5-179.458.50000112.7A73 Y74 Y112S70-A73 PolarHBondContact O-N 2.88Å; S70-Y74 WeakPolarHBondContact O-CB 3.14Å; S70-Y74 PolarHBondContact O-N 3.04Å; S70-Y112 VanDerWaalsContact CB-CE2 3.49Å
71N85.6Confident84.9Confident12 Ų1232 Ų326%0.06417%0.174CC..Hα-helixtrans-61.4-46.6177-171.446.7000111.3V17 G45 F46 G69 A73 Y74 L75V17-N71 PolarHBondContact O-ND2 3.12Å; G45-N71 WeakPolarHBondContact CA-OD1 3.49Å; F46-N71 PolarHBondContact N-OD1 2.82Å; G69-N71 VanDerWaalsContact C-N 3.3Å; G69-N71 PolarHBondContact O-N 2.84Å; N71-A73 PolarHBondContact O-N 3.3Å; N71-Y74 WeakPolarHBondContact O-CB 3.24Å; N71-Y74 PolarHBondContact O-N 2.8Å; N71-L75 VanDerWaalsContact O-CG 3.27Å; N71-L75 WeakPolarHBondContact O-CG 3.2Å; N71-L75 PolarHBondContact O-N 2.99Å
72G87.7Confident85.1Confident0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-63.2-41.817800000113.1A67 A68 G69 Y74 L75 K76A67-G72 VanDerWaalsContact CB-CA 3.5Å; A68-G72 PolarHBondContact O-N 2.8Å; G69-G72 PolarHBondContact O-N 3.1Å; G72-Y74 VanDerWaalsContact C-N 3.33Å; G72-Y74 PolarHBondContact O-N 3Å; G72-L75 PolarHBondContact O-N 3.02Å; G72-K76 WeakPolarHBondContact O-CB 3.39Å; G72-K76 PolarHBondContact O-N 2.79Å
73A82.3Confident85.1Confident24 Ų2431.8 Ų31.820%0.19818%0.179CC..Hα-helixtrans-63.4-39.1174.500000112.2G69 S70 N71 K76 S77 Y112G69-A73 PolarHBondContact O-N 3.45Å; G69-A73 VanDerWaalsContact O-N 3.1Å; S70-A73 PolarHBondContact O-N 2.88Å; N71-A73 PolarHBondContact O-N 3.3Å; A73-K76 PolarHBondContact O-N 3.13Å; A73-S77 PolarHBondContact O-N 3.43Å; A73-S77 PolarHBondContact O-OG 3.15Å; A73-Y112 HydrophobicContact CB-CE1 3.64Å
74Y81.4Confident85.4Confident57 Ų5731.3 Ų31.322%0.22418%0.176CC..Hα-helixtrans-62-44.9176.2-166.3-88.8000112.1F46 E47 V50 S70 N71 G72 S77 R78F46-Y74 VanDerWaalsContact C-CE1 3.48Å; F46-Y74 HydrophobicContact CB-CD1 4.25Å; F46-Y74 HydrophobicContact CB-CE1 4.25Å; F46-Y74 HydrophobicContact CD1-CD1 4.49Å; F46-Y74 HydrophobicContact CD1-CD2 4.03Å; F46-Y74 AromaticContact CD1-CG 3.96Å; F46-Y74 HydrophobicContact CD1-CG 3.96Å; E47-Y74 HydrophobicContact CB-CE1 4.45Å; E47-Y74 PolarHBondContact OE2-OH 3.1Å; V50-Y74 HydrophobicContact CG2-CD1 3.99Å; V50-Y74 HydrophobicContact CG2-CE1 3.89Å; S70-Y74 WeakPolarHBondContact O-CB 3.14Å; S70-Y74 PolarHBondContact O-N 3.04Å; N71-Y74 WeakPolarHBondContact O-CB 3.24Å; N71-Y74 PolarHBondContact O-N 2.8Å; G72-Y74 VanDerWaalsContact C-N 3.33Å; G72-Y74 PolarHBondContact O-N 3Å; Y74-S77 PolarHBondContact O-OG 3.38Å; Y74-R78 VanDerWaalsContact CE1-CD 3.4Å; Y74-R78 VanDerWaalsContact CE2-CZ 3.42Å; Y74-R78 VanDerWaalsContact CZ-CZ 3.42Å; Y74-R78 VanDerWaalsContact CZ-NE 3.28Å; Y74-R78 PolarHBondContact OH-NE 3.08Å
75L83.5Confident85.3Confident0 Ų034 Ų340%019%0.19CC..Hα-helixtrans-66.3-45.9177.4-66.2173000111.9V17 A49 V50 I53 I65 A67 N71 G72 S77 R78 L79 V83V17-L75 HydrophobicContact CB-CD1 3.76Å; V17-L75 HydrophobicContact CG1-CD1 3.65Å; V17-L75 HydrophobicContact CG2-CD1 4.19Å; A49-L75 HydrophobicContact CB-CD2 3.98Å; V50-L75 HydrophobicContact CG2-CD2 3.71Å; I53-L75 HydrophobicContact CD1-CD2 4.1Å; I65-L75 HydrophobicContact CG2-CD1 4.43Å; A67-L75 HydrophobicContact CB-CD1 3.85Å; N71-L75 VanDerWaalsContact O-CG 3.27Å; N71-L75 WeakPolarHBondContact O-CG 3.2Å; N71-L75 PolarHBondContact O-N 2.99Å; G72-L75 PolarHBondContact O-N 3.02Å; L75-S77 PolarHBondContact O-N 3.08Å; L75-R78 PolarHBondContact O-N 2.8Å; L75-L79 HydrophobicContact CB-CD1 4.08Å; L75-L79 HydrophobicContact CD2-CD1 3.93Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 PolarHBondContact O-N 3.06Å; L75-V83 HydrophobicContact CB-CG1 4.4Å; L75-V83 HydrophobicContact CB-CG2 4.34Å
76K83.7Confident85.1Confident133 Ų13334.2 Ų34.258%0.57819%0.191SC*.Hα-helixtrans-58.7-32.7-177.4-172.5174.1-179.2177.50113.3G72 A73 V83G72-K76 WeakPolarHBondContact O-CB 3.39Å; G72-K76 PolarHBondContact O-N 2.79Å; A73-K76 PolarHBondContact O-N 3.13Å; K76-V83 HydrophobicContact CB-CB 3.93Å; K76-V83 HydrophobicContact CB-CG1 4.27Å; K76-V83 HydrophobicContact CB-CG2 4.27Å; K76-V83 HydrophobicContact CG-CB 4.23Å
77S76.3Confident84.7Confident85 Ų8541.6 Ų41.659%0.59422%0.223SC*.THydrogen-bonded Turntrans-81.3-12.8178.456.30000114.4A73 Y74 L75A73-S77 PolarHBondContact O-N 3.43Å; A73-S77 PolarHBondContact O-OG 3.15Å; Y74-S77 PolarHBondContact O-OG 3.38Å; L75-S77 PolarHBondContact O-N 3.08Å
78R80.1Confident84.4Confident101 Ų10143.5 Ų43.538%0.38124%0.236SC..THydrogen-bonded Turntrans-123.1-12.5-169.5-73171.2172.670.50.1114.8V50 R54 Y74 L75V50-R78 HydrophobicContact CG1-CB 4.24Å; V50-R78 HydrophobicContact CG2-CB 4.15Å; R54-R78 PolarHBondContact NH2-O 3.2Å; Y74-R78 VanDerWaalsContact CE1-CD 3.4Å; Y74-R78 VanDerWaalsContact CE2-CZ 3.42Å; Y74-R78 VanDerWaalsContact CZ-CZ 3.42Å; Y74-R78 VanDerWaalsContact CZ-NE 3.28Å; Y74-R78 PolarHBondContact OH-NE 3.08Å; L75-R78 PolarHBondContact O-N 2.8Å
79L80.3Confident84.2Confident19 Ų1945.2 Ų45.210%0.09925%0.247CC..  trans-112.6144.9-179.9-62.5176.4000110.8V50 I53 R54 I65 L75V50-L79 HydrophobicContact CG1-CD2 4.24Å; I53-L79 HydrophobicContact CB-CD1 4.45Å; I53-L79 HydrophobicContact CB-CD2 4.42Å; I53-L79 HydrophobicContact CD1-CD1 4.02Å; I53-L79 HydrophobicContact CG2-CD1 3.76Å; I53-L79 HydrophobicContact CG2-CD2 3.81Å; I53-L79 HydrophobicContact CG2-CG 4.45Å; R54-L79 HydrophobicContact CG-CD2 4.06Å; I65-L79 HydrophobicContact CD1-CD1 3.52Å; L75-L79 HydrophobicContact CB-CD1 4.08Å; L75-L79 HydrophobicContact CD2-CD1 3.93Å; L75-L79 WeakPolarHBondContact O-CB 3.38Å; L75-L79 PolarHBondContact O-N 3.06Å
80S75.5Confident84.2Confident99 Ų9947.3 Ų47.369%0.69227%0.269SS*.SBendtrans-82.3-18.3174.948.50000113.2
81V82.8Confident84.3Confident10 Ų1054 Ų546%0.06129%0.293CS..SBendtrans-74.9138.2177.4-177.90000109.1L57 C62 I65 V83L57-V81 HydrophobicContact CD1-CG2 3.69Å; L57-V81 HydrophobicContact CD2-CG2 3.71Å; L57-V81 HydrophobicContact CG-CG2 4.38Å; C62-V81 HydrophobicContact CB-CG1 4.36Å; I65-V81 HydrophobicContact CD1-CB 4.04Å; I65-V81 HydrophobicContact CD1-CG1 4.12Å; I65-V81 HydrophobicContact CG1-CB 4.46Å; I65-V81 HydrophobicContact CG1-CG1 3.99Å; V81-V83 WeakPolarHBondContact O-CG2 3.29Å; V81-V83 PolarHBondContact O-N 3.48Å
82P85.3Confident84.5Confident47 Ų4753.4 Ų53.431%0.30529%0.29SS..  trans-54125.9175.5-27.135.4000112.9I65 M192I65-P82 PolarHBondContact N-O 2.91Å; P82-M192 HydrophobicContact CB-CE 3.43Å; P82-M192 VanDerWaalsContact CB-CE 3.43Å; P82-M192 HydrophobicContact CB-SD 3.87Å; P82-M192 HydrophobicContact CG-CE 3.78Å
83V87.8Confident84.6Confident14 Ų1453.8 Ų53.89%0.08529%0.292CS..EExtended strand (participates in β ladder)trans-109110.8176.6-174.30000109.4I65 A67 L75 K76 V81 L85I65-V83 HydrophobicContact CB-CG2 4.22Å; I65-V83 HydrophobicContact CG2-CG1 4.31Å; I65-V83 HydrophobicContact CG2-CG2 4.5Å; I65-V83 CarbonylContact O-C 3.52Å; I65-V83 WeakPolarHBondContact O-CA 3.22Å; A67-V83 HydrophobicContact CB-CG1 4.3Å; L75-V83 HydrophobicContact CB-CG1 4.4Å; L75-V83 HydrophobicContact CB-CG2 4.34Å; K76-V83 HydrophobicContact CB-CB 3.93Å; K76-V83 HydrophobicContact CB-CG1 4.27Å; K76-V83 HydrophobicContact CB-CG2 4.27Å; K76-V83 HydrophobicContact CG-CB 4.23Å; V81-V83 WeakPolarHBondContact O-CG2 3.29Å; V81-V83 PolarHBondContact O-N 3.48Å; V83-L85 PolarHBondContact O-N 3.49Å
84I91.9Very high84.9Confident21 Ų2156.5 Ų56.511%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-78112.6170.8-61.486.1000107.3A64 I65 I66 A67 A185 A189 M192A64-I84 HydrophobicContact CB-CD1 3.59Å; I65-I84 PolarHBondContact O-N 2.83Å; I66-I84 HydrophobicContact CG1-CB 4.47Å; A67-I84 PolarHBondContact N-O 3.33Å; A67-I84 VanDerWaalsContact O-O 3.11Å; I84-A185 HydrophobicContact CG2-CB 4.44Å; I84-A189 HydrophobicContact CD1-CB 3.82Å; I84-A189 HydrophobicContact CG1-CB 4.15Å; I84-M192 HydrophobicContact CD1-SD 4.29Å; I84-M192 HydrophobicContact CG1-SD 4.45Å
85L89.9Confident85.2Confident55 Ų5558.4 Ų58.429%0.28831%0.314SS..EExtended strand (participates in β ladder)trans-88.7114.5177.9-17569.2000109.7A67 V83 K87A67-L85 CarbonylContact O-C 3.58Å; A67-L85 WeakPolarHBondContact O-CA 3.44Å; V83-L85 PolarHBondContact O-N 3.49Å; L85-K87 PolarHBondContact O-N 2.96Å
86I90.4Very high85.6Confident6 Ų658.8 Ų58.83%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-70.1122.4170.9-49.7-172.8000108.6F26 I66 A67 A68 Y177 T181 V182 A185F26-I86 HydrophobicContact CE1-CD1 3.55Å; F26-I86 HydrophobicContact CZ-CD1 3.54Å; I66-I86 HydrophobicContact CG2-CD1 3.65Å; I66-I86 HydrophobicContact CG2-CG1 3.76Å; A67-I86 PolarHBondContact O-N 3.15Å; A68-I86 HydrophobicContact CB-CB 3.88Å; A68-I86 HydrophobicContact CB-CG1 4.44Å; I86-Y177 HydrophobicContact CB-CE1 4.23Å; I86-Y177 HydrophobicContact CG2-CD1 3.64Å; I86-Y177 HydrophobicContact CG2-CE1 3.68Å; I86-T181 HydrophobicContact CG2-CG2 3.61Å; I86-V182 HydrophobicContact CD1-CG2 4.43Å; I86-A185 HydrophobicContact CD1-CB 3.87Å; I86-A185 HydrophobicContact CG1-CB 3.66Å
87K86.6Confident85.9Confident154 Ų15453 Ų5367%0.6729%0.292SS*.  trans-110.1137.3170.6-64.4-174.1177.7-171.70108.9L85 S89 T181L85-K87 PolarHBondContact O-N 2.96Å; K87-S89 PolarHBondContact O-N 2.92Å; K87-T181 WeakPolarHBondContact O-CG2 3.44Å
88P85.5Confident86.5Confident41 Ų4151.9 Ų51.927%0.26629%0.288SS..  trans-65131.7172.628.7-32.6000109.4D92 I176 Y177P88-D92 HydrophobicContact CB-CB 4.22Å; P88-I176 HydrophobicContact CB-CD1 3.75Å; P88-I176 HydrophobicContact CB-CG1 3.8Å; P88-I176 HydrophobicContact CB-CG2 4.35Å; P88-I176 HydrophobicContact CG-CD1 3.82Å; P88-I176 HydrophobicContact CG-CG1 4.4Å; P88-Y177 HydrophobicContact CB-CD1 4.38Å; P88-Y177 HydrophobicContact CB-CE1 4.24Å; P88-Y177 HydrophobicContact CG-CE1 4.41Å
89S85.3Confident86.9Confident46 Ų4653.5 Ų53.532%0.32230%0.298SS..  trans-76.2166.7173.669.90000111.4K87 Y91 D92 V93K87-S89 PolarHBondContact O-N 2.92Å; S89-Y91 PolarHBondContact O-N 3.09Å; S89-Y91 PolarHBondContact OG-N 2.79Å; S89-D92 WeakPolarHBondContact CB-OD2 3.31Å; S89-D92 PolarHBondContact N-OD2 3.32Å; S89-D92 WeakPolarHBondContact O-CB 3.34Å; S89-D92 PolarHBondContact O-N 2.94Å; S89-D92 PolarHBondContact OG-N 3.44Å; S89-D92 PolarHBondContact OG-OD2 2.85Å; S89-V93 WeakPolarHBondContact O-CG2 3.38Å; S89-V93 PolarHBondContact O-N 3.04Å
90G84.2Confident87.4Confident56 Ų5652.6 Ų52.658%0.57729%0.293SS*.Hα-helixtrans-58.4-33.717200000112.6V93 L94G90-V93 PolarHBondContact O-N 3.44Å; G90-L94 VanDerWaalsContact O-CG 3.3Å; G90-L94 WeakPolarHBondContact O-CG 3.36Å; G90-L94 PolarHBondContact O-N 2.84Å; G90-L94 VanDerWaalsContact O-N 3.08Å
91Y84.3Confident87.9Confident153 Ų15350.2 Ų50.260%0.628%0.283SS*.Hα-helixtrans-66.8-41.5177-175.5-96.3000112.4S89 V93 L94 Q95S89-Y91 PolarHBondContact O-N 3.09Å; S89-Y91 PolarHBondContact OG-N 2.79Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.74Å; Y91-L94 PolarHBondContact O-N 3.33Å; Y91-Q95 WeakPolarHBondContact O-CB 3.37Å; Y91-Q95 PolarHBondContact O-N 3.14Å
92D89.4Confident88.2Confident1 Ų158.5 Ų58.51%0.00532%0.319CS..Hα-helixtrans-58.4-47.2176.2-68.6-46.9000111.8P88 S89 L94 Q95 A96 I176 S178 T181P88-D92 HydrophobicContact CB-CB 4.22Å; S89-D92 WeakPolarHBondContact CB-OD2 3.31Å; S89-D92 PolarHBondContact N-OD2 3.32Å; S89-D92 WeakPolarHBondContact O-CB 3.34Å; S89-D92 PolarHBondContact O-N 2.94Å; S89-D92 PolarHBondContact OG-N 3.44Å; S89-D92 PolarHBondContact OG-OD2 2.85Å; D92-L94 PolarHBondContact O-N 3.42Å; D92-Q95 PolarHBondContact O-N 3.46Å; D92-A96 WeakPolarHBondContact O-CB 3.21Å; D92-A96 PolarHBondContact O-N 2.93Å; D92-I176 WeakPolarHBondContact CB-O 3.34Å; D92-S178 WeakPolarHBondContact OD1-CB 3.47Å; D92-S178 PolarHBondContact OD1-N 2.89Å; D92-S178 VanDerWaalsContact OD1-N 3.1Å; D92-S178 PolarHBondContact OD1-OG 3.42Å; D92-T181 PolarHBondContact OD1-OG1 2.74Å; D92-T181 VanDerWaalsContact OD1-OG1 3.06Å; D92-T181 WeakPolarHBondContact OD2-CB 3.46Å; D92-T181 PolarHBondContact OD2-OG1 2.6Å
93V89.9Confident88.3Confident7 Ų761.5 Ų61.54%0.04233%0.332CS..Hα-helixtrans-61.2-47.3178.6178.40000109.9S89 G90 Y91 Q95 A96 L97 I116 L119 I176S89-V93 WeakPolarHBondContact O-CG2 3.38Å; S89-V93 PolarHBondContact O-N 3.04Å; G90-V93 PolarHBondContact O-N 3.44Å; Y91-V93 VanDerWaalsContact C-N 3.34Å; Y91-V93 PolarHBondContact O-N 2.74Å; V93-Q95 PolarHBondContact O-N 2.91Å; V93-A96 PolarHBondContact O-N 3.36Å; V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.38Å; V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 VanDerWaalsContact O-CG 3.22Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 2.87Å; V93-I116 HydrophobicContact CG1-CD1 4.15Å; V93-I116 HydrophobicContact CG2-CD1 3.7Å; V93-L119 HydrophobicContact CG1-CD1 4.16Å; V93-L119 HydrophobicContact CG1-CD2 4.27Å; V93-I176 HydrophobicContact CG2-CD1 4.02Å; V93-I176 HydrophobicContact CG2-CG1 4.48Å
94L88.5Confident88.3Confident81 Ų8161.5 Ų61.542%0.42433%0.332SS..Hα-helixtrans-63.7-41.5179.1-71.2174.3000112.5G90 Y91 D92 L97 A98 F122G90-L94 VanDerWaalsContact O-CG 3.3Å; G90-L94 WeakPolarHBondContact O-CG 3.36Å; G90-L94 PolarHBondContact O-N 2.84Å; G90-L94 VanDerWaalsContact O-N 3.08Å; Y91-L94 PolarHBondContact O-N 3.33Å; D92-L94 PolarHBondContact O-N 3.42Å; L94-L97 PolarHBondContact O-N 3.3Å; L94-A98 WeakPolarHBondContact O-CB 3.29Å; L94-A98 PolarHBondContact O-N 3.16Å; L94-F122 HydrophobicContact CD2-CD2 4.34Å; L94-F122 HydrophobicContact CD2-CE1 4.26Å; L94-F122 HydrophobicContact CD2-CE2 3.76Å; L94-F122 HydrophobicContact CD2-CZ 3.73Å
95Q88.6Confident88Confident98 Ų9864.6 Ų64.646%0.45836%0.355SS..Hα-helixtrans-64.5-43.3177.7-171.7-179.527.900111.4Y91 D92 V93 A98 K99Y91-Q95 WeakPolarHBondContact O-CB 3.37Å; Y91-Q95 PolarHBondContact O-N 3.14Å; D92-Q95 PolarHBondContact O-N 3.46Å; V93-Q95 PolarHBondContact O-N 2.91Å; Q95-A98 PolarHBondContact O-N 3.48Å; Q95-K99 PolarHBondContact O-N 3.14Å
96A91.4Very high88.1Confident7 Ų763 Ų636%0.05835%0.349CS..Hα-helixtrans-64.5-42.1176.600000111.7D92 V93 K99 A100 V157 I174D92-A96 WeakPolarHBondContact O-CB 3.21Å; D92-A96 PolarHBondContact O-N 2.93Å; V93-A96 PolarHBondContact O-N 3.36Å; A96-K99 PolarHBondContact O-N 3.31Å; A96-A100 PolarHBondContact O-N 3.08Å; A96-V157 HydrophobicContact CB-CG1 3.55Å; A96-V157 HydrophobicContact CB-CG2 4.17Å; A96-I174 HydrophobicContact CB-CG2 3.98Å
97L90.5Very high88.2Confident12 Ų1263.1 Ų63.16%0.06335%0.349CS..Hα-helixtrans-66.1-38.2175-70.8174.4000112.7V93 L94 K99 A100 G101 I107 V109 L119 L130 V157V93-L97 HydrophobicContact CG1-CD1 3.86Å; V93-L97 HydrophobicContact CG1-CG 4.38Å; V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 VanDerWaalsContact O-CG 3.22Å; V93-L97 WeakPolarHBondContact O-CG 3.32Å; V93-L97 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.3Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.74Å; L97-A100 PolarHBondContact O-N 3.48Å; L97-G101 PolarHBondContact O-N 2.96Å; L97-I107 HydrophobicContact CD2-CG2 3.82Å; L97-V109 HydrophobicContact CD2-CG2 3.77Å; L97-L119 HydrophobicContact CD1-CD1 3.62Å; L97-L119 HydrophobicContact CD1-CD2 4.36Å; L97-L130 HydrophobicContact CD2-CD1 3.61Å; L97-V157 HydrophobicContact CD2-CG2 4.12Å
98A87.5Confident88.6Confident61 Ų6155.8 Ų55.850%0.50432%0.318SS..Hα-helixtrans-64.7-35.3174.300000111.7L94 Q95 K102L94-A98 WeakPolarHBondContact O-CB 3.29Å; L94-A98 PolarHBondContact O-N 3.16Å; Q95-A98 PolarHBondContact O-N 3.48Å; A98-K102 WeakPolarHBondContact O-CG 3.15Å; A98-K102 PolarHBondContact O-N 2.83Å
99K89.5Confident89Confident136 Ų13653.9 Ų53.959%0.59131%0.305SS*.Hα-helixtrans-69.4-41.4173.2-167.7178.2178.9-177.20111.5Q95 A96 L97 I174Q95-K99 PolarHBondContact O-N 3.14Å; A96-K99 PolarHBondContact O-N 3.31Å; L97-K99 VanDerWaalsContact C-N 3.29Å; L97-K99 PolarHBondContact O-N 2.74Å; K99-I174 HydrophobicContact CB-CD1 4.24Å; K99-I174 HydrophobicContact CD-CG2 4.37Å; K99-I174 HydrophobicContact CG-CD1 4.22Å
100A90.9Very high89.3Confident0 Ų051.8 Ų51.80%029%0.29CS..Hα-helixtrans-62.6-46.9175.300000112.1A96 L97 K102 L103 T104 I107 A155 V157 I174A96-A100 PolarHBondContact O-N 3.08Å; L97-A100 PolarHBondContact O-N 3.48Å; A100-K102 PolarHBondContact O-N 2.9Å; A100-L103 WeakPolarHBondContact O-CA 3.38Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 2.79Å; A100-T104 PolarHBondContact O-N 3.34Å; A100-I107 HydrophobicContact CB-CD1 3.62Å; A100-I107 HydrophobicContact CB-CG1 3.87Å; A100-I107 HydrophobicContact CB-CG2 3.89Å; A100-A155 HydrophobicContact CB-CB 4.45Å; A100-V157 HydrophobicContact CB-CG2 4.28Å; A100-I174 HydrophobicContact CB-CD1 3.61Å; A100-I174 VanDerWaalsContact N-CD1 3.34Å
101G86.7Confident89.6Confident48 Ų4850 Ų5050%0.49527%0.268SS..Hα-helixtrans-64.2-20.7-177.300000114.3L97 L103 T104L97-G101 PolarHBondContact O-N 2.96Å; G101-L103 VanDerWaalsContact C-N 3.3Å; G101-T104 WeakPolarHBondContact CA-O 3.33Å
102K87.5Confident89.5Confident184 Ų18445.5 Ų45.580%0.825%0.25SS*.THydrogen-bonded Turntrans-73.5-22.3170.8-73178-177.1-175.10113.1A98 A100A98-K102 WeakPolarHBondContact O-CG 3.15Å; A98-K102 PolarHBondContact O-N 2.83Å; A100-K102 PolarHBondContact O-N 2.9Å
103L88.5Confident89Confident111 Ų11150.5 Ų50.558%0.58127%0.274SS*.THydrogen-bonded Turntrans-103.1-38.9-173.8-58.5175.3000111.6A100 G101 T172A100-L103 WeakPolarHBondContact O-CA 3.38Å; A100-L103 WeakPolarHBondContact O-CB 3.4Å; A100-L103 PolarHBondContact O-N 2.79Å; G101-L103 VanDerWaalsContact C-N 3.3Å; L103-T172 HydrophobicContact CD1-CG2 3.92Å
104T88.5Confident88.7Confident13 Ų1357.3 Ų57.38%0.0831%0.305CS..  trans-149.9159.6-177.4-176.80000112A100 G101 S106 I107 E154 A155A100-T104 PolarHBondContact O-N 3.34Å; G101-T104 WeakPolarHBondContact CA-O 3.33Å; T104-S106 WeakPolarHBondContact CG2-O 3.3Å; T104-S106 PolarHBondContact OG1-N 2.86Å; T104-S106 VanDerWaalsContact OG1-N 3.11Å; T104-I107 HydrophobicContact CG2-CG1 4.06Å; T104-E154 WeakPolarHBondContact CB-OE2 3.26Å; T104-E154 HydrophobicContact CG2-CB 4.05Å; T104-E154 WeakPolarHBondContact OG1-CB 3.42Å; T104-E154 PolarHBondContact OG1-OE2 3Å; T104-A155 HydrophobicContact CG2-CB 3.41Å; T104-A155 VanDerWaalsContact CG2-CB 3.41Å
105S84.9Confident88.5Confident87 Ų8756.1 Ų56.161%0.60830%0.301SS*.SBendtrans-90.4-14170.460.60000113.8R129S105-R129 WeakPolarHBondContact O-CB 3.39Å
106S90.8Very high88.2Confident21 Ų2153.5 Ų53.515%0.14729%0.29CS..EExtended strand (participates in β ladder)trans-110.1101.4-175.1-168.50000110.8T104 G152 E154 A155T104-S106 WeakPolarHBondContact CG2-O 3.3Å; T104-S106 PolarHBondContact OG1-N 2.86Å; T104-S106 VanDerWaalsContact OG1-N 3.11Å; S106-G152 WeakPolarHBondContact CB-O 3.29Å; S106-G152 PolarHBondContact OG-O 3.49Å; S106-E154 PolarHBondContact O-N 3.15Å; S106-E154 VanDerWaalsContact O-N 3.16Å; S106-A155 PolarHBondContact O-N 3.03Å
107I94Very high87.7Confident9 Ų958 Ų585%0.04632%0.319CS..EExtended strand (participates in β ladder)trans-121.6130.7-168.1-53.8163.6000110.5L97 A100 T104 R129 L130 D131 A155 V157L97-I107 HydrophobicContact CD2-CG2 3.82Å; A100-I107 HydrophobicContact CB-CD1 3.62Å; A100-I107 HydrophobicContact CB-CG1 3.87Å; A100-I107 HydrophobicContact CB-CG2 3.89Å; T104-I107 HydrophobicContact CG2-CG1 4.06Å; I107-R129 PolarHBondContact N-O 3.33Å; I107-L130 HydrophobicContact CB-CD1 3.88Å; I107-L130 HydrophobicContact CG2-CD1 3.91Å; I107-L130 CarbonylContact O-C 3.5Å; I107-L130 VanDerWaalsContact O-CA 3.29Å; I107-L130 WeakPolarHBondContact O-CA 3.35Å; I107-D131 PolarHBondContact O-N 2.86Å; I107-A155 CarbonylContact C-O 3.57Å; I107-A155 WeakPolarHBondContact CA-O 3.27Å; I107-V157 HydrophobicContact CG2-CG2 4.13Å
108G93.9Very high87.2Confident0 Ų061.1 Ų61.10%035%0.346CS..EExtended strand (participates in β ladder)trans-98.2141.4169.100000110.8D131 A155 V156 V157G108-D131 CarbonylContact C-O 3.57Å; G108-D131 VanDerWaalsContact CA-O 3.32Å; G108-D131 WeakPolarHBondContact CA-O 3.29Å; G108-A155 PolarHBondContact N-O 2.97Å; G108-V156 CarbonylContact O-C 3.56Å; G108-V156 WeakPolarHBondContact O-CA 3.19Å; G108-V157 PolarHBondContact O-N 3.25Å
109V94.1Very high87Confident1 Ų158.7 Ų58.71%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-121.4119.3170.9179.20000107.9L97 T111 I116 L119 L130 D131 Q132 R133 V157L97-V109 HydrophobicContact CD2-CG2 3.77Å; V109-T111 HydrophobicContact CG1-CG2 4.35Å; V109-I116 HydrophobicContact CG1-CD1 4.48Å; V109-L119 HydrophobicContact CB-CD2 4.33Å; V109-L119 HydrophobicContact CG1-CD2 4.23Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; V109-L130 HydrophobicContact CG2-CD1 3.59Å; V109-L130 HydrophobicContact CG2-CD2 4.47Å; V109-L130 HydrophobicContact CG2-CG 4.18Å; V109-D131 PolarHBondContact N-O 3.46Å; V109-Q132 HydrophobicContact CB-CG 4.47Å; V109-Q132 WeakPolarHBondContact O-CA 3.23Å; V109-R133 PolarHBondContact O-N 3.46Å; V109-V157 WeakPolarHBondContact CA-O 3.42Å; V109-V157 HydrophobicContact CG2-CB 4.24Å
110V92.6Very high86.6Confident1 Ų155.1 Ų55.11%0.00631%0.314CS..EExtended strand (participates in β ladder)trans-122.6116.5-176.9-169.40000110.8R133 Y135 I145 L148 V156 V157 I162V110-R133 WeakPolarHBondContact CA-O 3.3Å; V110-R133 HydrophobicContact CG1-CB 4.34Å; V110-R133 HydrophobicContact CG2-CB 4.22Å; V110-Y135 HydrophobicContact CG1-CD1 3.77Å; V110-Y135 HydrophobicContact CG1-CE1 4.38Å; V110-I145 HydrophobicContact CG2-CD1 4.45Å; V110-L148 HydrophobicContact CG2-CD1 3.5Å; V110-L148 VanDerWaalsContact CG2-CD1 3.5Å; V110-V156 HydrophobicContact CG2-CG1 3.78Å; V110-V157 PolarHBondContact N-O 2.89Å; V110-I162 HydrophobicContact CB-CB 4.49Å; V110-I162 HydrophobicContact CB-CD1 4.08Å; V110-I162 HydrophobicContact CB-CG1 4Å; V110-I162 HydrophobicContact CB-CG2 3.67Å; V110-I162 HydrophobicContact CG1-CD1 3.53Å; V110-I162 HydrophobicContact CG1-CG1 3.89Å; V110-I162 HydrophobicContact CG1-CG2 4.37Å; V110-I162 HydrophobicContact CG2-CG2 4.11Å
111T89.3Confident86Confident18 Ų1858 Ų5811%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-118.7159.5-175.644.60000112V109 E114 I116 R133 S134 Y135V109-T111 HydrophobicContact CG1-CG2 4.35Å; T111-E114 VanDerWaalsContact CB-O 3.29Å; T111-E114 WeakPolarHBondContact CB-O 3.45Å; T111-E114 PolarHBondContact OG1-O 3Å; T111-I116 HydrophobicContact CG2-CD1 4.07Å; T111-I116 HydrophobicContact CG2-CG1 4.23Å; T111-R133 PolarHBondContact N-O 3.17Å; T111-S134 CarbonylContact O-C 3.33Å; T111-S134 WeakPolarHBondContact O-CA 3.4Å; T111-Y135 WeakPolarHBondContact O-CD1 3.44Å; T111-Y135 PolarHBondContact O-N 3.16Å
112Y83.2Confident85.7Confident59 Ų5958.3 Ų58.323%0.23133%0.325CS..EExtended strand (participates in β ladder)trans-82132.7179.3178.1-114.6000110.7S70 A73 E114 Y135 I136S70-Y112 VanDerWaalsContact CB-CE2 3.49Å; A73-Y112 HydrophobicContact CB-CE1 3.64Å; Y112-E114 PolarHBondContact O-N 3.13Å; Y112-Y135 HydrophobicContact CD2-CD2 4.26Å; Y112-Y135 AromaticContact CD2-CE2 3.93Å; Y112-Y135 HydrophobicContact CD2-CE2 3.93Å; Y112-Y135 VanDerWaalsContact CD2-O 3.26Å; Y112-Y135 WeakPolarHBondContact CD2-O 3.32Å; Y112-I136 WeakPolarHBondContact CE2-O 3.43Å
113Q78.9Confident85.4Confident106 Ų10652.2 Ų52.250%0.49530%0.3SS..SBendtrans63.6-45.6179.3-68.7175-23.600117.1Y135Q113-Y135 PolarHBondContact N-O 3.36Å
114E82.2Confident85Confident151 Ų15155 Ų5571%0.70631%0.307SS*.SBendtrans-130145.3-173.1-65.4177.5178.800110.4T111 Y112T111-E114 VanDerWaalsContact CB-O 3.29Å; T111-E114 WeakPolarHBondContact CB-O 3.45Å; T111-E114 PolarHBondContact OG1-O 3Å; Y112-E114 PolarHBondContact O-N 3.13Å
115T84.2Confident84.6Confident56 Ų5659.6 Ų59.634%0.34434%0.335SS..  trans-77.5180166.758.10000110.3P117 Q132T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.31Å; T115-Q132 HydrophobicContact CG2-CB 4.32Å
116I84.3Confident84.4Confident42 Ų4261.3 Ų61.322%0.21533%0.332CS..  trans-107.495.6-179.6-55.3174.5000108.4V93 V109 T111 A118 L119 Q132V93-I116 HydrophobicContact CG1-CD1 4.15Å; V93-I116 HydrophobicContact CG2-CD1 3.7Å; V109-I116 HydrophobicContact CG1-CD1 4.48Å; T111-I116 HydrophobicContact CG2-CD1 4.07Å; T111-I116 HydrophobicContact CG2-CG1 4.23Å; I116-A118 HydrophobicContact CG2-CB 4.37Å; I116-A118 PolarHBondContact O-N 2.87Å; I116-A118 VanDerWaalsContact O-N 3.13Å; I116-L119 HydrophobicContact CB-CB 3.96Å; I116-L119 HydrophobicContact CB-CD2 4.5Å; I116-L119 HydrophobicContact CG2-CB 3.92Å; I116-L119 WeakPolarHBondContact O-CB 3.33Å; I116-L119 PolarHBondContact O-N 2.83Å; I116-Q132 PolarHBondContact O-OE1 2.74Å
117P80.3Confident83.6Confident103 Ų10367.6 Ų67.667%0.66936%0.364SS*.Hα-helixtrans-56.9-36.8-175.2-26.234.6000113.3T115 L119 V120T115-P117 VanDerWaalsContact O-CD 3.28Å; T115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-L119 PolarHBondContact O-N 3.21Å; P117-L119 VanDerWaalsContact O-N 3.15Å; P117-V120 WeakPolarHBondContact O-CB 3.16Å; P117-V120 PolarHBondContact O-N 3.05Å; P117-V120 VanDerWaalsContact O-N 3.11Å
118A80.2Confident82.8Confident77 Ų7770.4 Ų70.464%0.63638%0.379SS*.Hα-helixtrans-58.8-26.4177.200000113I116 V120 A121 F122I116-A118 HydrophobicContact CG2-CB 4.37Å; I116-A118 PolarHBondContact O-N 2.87Å; I116-A118 VanDerWaalsContact O-N 3.13Å; A118-V120 VanDerWaalsContact C-N 3.34Å; A118-A121 PolarHBondContact O-N 3.35Å; A118-F122 PolarHBondContact O-N 3.26Å
119L81.9Confident82.3Confident9 Ų979.2 Ų79.25%0.04741%0.412CS..Hα-helixtrans-78.1-20.7-178.1-162.766.6000112.4V93 L97 V109 I116 P117 F122 Q123 L130 Q132V93-L119 HydrophobicContact CG1-CD1 4.16Å; V93-L119 HydrophobicContact CG1-CD2 4.27Å; L97-L119 HydrophobicContact CD1-CD1 3.62Å; L97-L119 HydrophobicContact CD1-CD2 4.36Å; V109-L119 HydrophobicContact CB-CD2 4.33Å; V109-L119 HydrophobicContact CG1-CD2 4.23Å; V109-L119 HydrophobicContact CG2-CD2 4.02Å; I116-L119 HydrophobicContact CB-CB 3.96Å; I116-L119 HydrophobicContact CB-CD2 4.5Å; I116-L119 HydrophobicContact CG2-CB 3.92Å; I116-L119 WeakPolarHBondContact O-CB 3.33Å; I116-L119 PolarHBondContact O-N 2.83Å; P117-L119 PolarHBondContact O-N 3.21Å; P117-L119 VanDerWaalsContact O-N 3.15Å; L119-F122 HydrophobicContact CD1-CB 4.23Å; L119-F122 HydrophobicContact CD1-CD1 3.94Å; L119-F122 HydrophobicContact CD1-CG 4.32Å; L119-F122 PolarHBondContact O-N 3.02Å; L119-Q123 WeakPolarHBondContact O-CB 3.35Å; L119-Q123 PolarHBondContact O-N 3.16Å; L119-L130 HydrophobicContact CD1-CD2 4.04Å; L119-L130 HydrophobicContact CD2-CD2 3.48Å; L119-L130 VanDerWaalsContact CD2-CD2 3.48Å; L119-L130 HydrophobicContact CG-CD2 3.42Å; L119-L130 VanDerWaalsContact CG-CD2 3.42Å; L119-Q132 HydrophobicContact CD2-CG 4.1Å
120V81.8Confident82.1Confident62 Ų6279.6 Ų79.638%0.37641%0.414SS..Hα-helixtrans-66.7-41.2172.3179.80000110.8P117 A118 Q123 K124P117-V120 WeakPolarHBondContact O-CB 3.16Å; P117-V120 PolarHBondContact O-N 3.05Å; P117-V120 VanDerWaalsContact O-N 3.11Å; A118-V120 VanDerWaalsContact C-N 3.34Å; V120-Q123 PolarHBondContact O-N 3.02Å; V120-K124 WeakPolarHBondContact O-CG 3.29Å; V120-K124 PolarHBondContact O-N 3.12Å; V120-K124 VanDerWaalsContact O-N 3.17Å
121A78.3Confident81.9Confident59 Ų5981.6 Ų81.649%0.48842%0.424SS..Hα-helixtrans-63.8-45.5174.600000110.6A118 Q123 K124 T125A118-A121 PolarHBondContact O-N 3.35Å; A121-Q123 PolarHBondContact O-N 2.82Å; A121-K124 PolarHBondContact O-N 2.86Å; A121-T125 PolarHBondContact O-N 3.32Å; A121-T125 PolarHBondContact O-OG1 3.5Å; A121-T125 VanDerWaalsContact O-OG1 3.06Å
122F79.8Confident82.1Confident55 Ų5582.1 Ų82.124%0.24143%0.426CS..Hα-helixtrans-57.9-45.4175.9-174.1-99000112.4L94 A118 L119 K124 T125 F126 L128L94-F122 HydrophobicContact CD2-CD2 4.34Å; L94-F122 HydrophobicContact CD2-CE1 4.26Å; L94-F122 HydrophobicContact CD2-CE2 3.76Å; L94-F122 HydrophobicContact CD2-CZ 3.73Å; A118-F122 PolarHBondContact O-N 3.26Å; L119-F122 HydrophobicContact CD1-CB 4.23Å; L119-F122 HydrophobicContact CD1-CD1 3.94Å; L119-F122 HydrophobicContact CD1-CG 4.32Å; L119-F122 PolarHBondContact O-N 3.02Å; F122-K124 VanDerWaalsContact C-N 3.33Å; F122-K124 PolarHBondContact O-N 2.84Å; F122-T125 PolarHBondContact O-N 3.32Å; F122-F126 HydrophobicContact CD1-CD2 4.27Å; F122-F126 AromaticContact CD2-CD2 3.39Å; F122-F126 HydrophobicContact CD2-CD2 3.39Å; F122-F126 AromaticContact CD2-CE2 3.4Å; F122-F126 HydrophobicContact CD2-CE2 3.4Å; F122-F126 HydrophobicContact CE1-CD2 4.2Å; F122-F126 AromaticContact CE2-CD2 3.29Å; F122-F126 HydrophobicContact CE2-CD2 3.29Å; F122-F126 AromaticContact CE2-CE2 3.22Å; F122-F126 HydrophobicContact CE2-CE2 3.22Å; F122-F126 HydrophobicContact CE2-CG 4.22Å; F122-F126 HydrophobicContact CE2-CZ 4.1Å; F122-F126 AromaticContact CG-CD2 3.89Å; F122-F126 HydrophobicContact CG-CD2 3.89Å; F122-F126 HydrophobicContact CG-CE2 4.32Å; F122-F126 AromaticContact CZ-CD2 3.72Å; F122-F126 HydrophobicContact CZ-CD2 3.72Å; F122-F126 HydrophobicContact CZ-CE2 4.05Å; F122-F126 HydrophobicContact CZ-CG 4.26Å; F122-F126 WeakPolarHBondContact O-CD2 3.44Å; F122-F126 PolarHBondContact O-N 2.84Å; F122-L128 HydrophobicContact CD1-CD1 3.95Å; F122-L128 HydrophobicContact CE1-CD1 3.37Å; F122-L128 HydrophobicContact CZ-CD1 4.24Å
123Q82.9Confident82.5Confident57 Ų5781.9 Ų81.927%0.26642%0.424SS..Hα-helixtrans-56.9-45.2176.6-174.7-177.8-5.900112.3L119 V120 A121 N127 L128 L130L119-Q123 WeakPolarHBondContact O-CB 3.35Å; L119-Q123 PolarHBondContact O-N 3.16Å; V120-Q123 PolarHBondContact O-N 3.02Å; A121-Q123 PolarHBondContact O-N 2.82Å; Q123-N127 WeakPolarHBondContact O-CA 3.07Å; Q123-N127 PolarHBondContact O-N 3.32Å; Q123-L128 WeakPolarHBondContact CG-O 3.31Å; Q123-L128 PolarHBondContact O-N 3.46Å; Q123-L130 HydrophobicContact CB-CB 4.49Å; Q123-L130 VanDerWaalsContact CD-O 3.28Å; Q123-L130 HydrophobicContact CG-CB 3.95Å; Q123-L130 PolarHBondContact NE2-O 3.49Å; Q123-L130 PolarHBondContact OE1-O 3.02Å
124K79.7Confident83Confident170 Ų17078.8 Ų78.874%0.73942%0.415SS*.Hα-helixtrans-65.8-42.5178.2-71.7179.3-179.1-179.30112.1V120 A121 F122V120-K124 WeakPolarHBondContact O-CG 3.29Å; V120-K124 PolarHBondContact O-N 3.12Å; V120-K124 VanDerWaalsContact O-N 3.17Å; A121-K124 PolarHBondContact O-N 2.86Å; F122-K124 VanDerWaalsContact C-N 3.33Å; F122-K124 PolarHBondContact O-N 2.84Å
125T80.5Confident83.3Confident108 Ų10871.8 Ų71.866%0.66338%0.382SS*.Hα-helixtrans-69.4-39.2-177.9-56.90000112.3A121 F122A121-T125 PolarHBondContact O-N 3.32Å; A121-T125 PolarHBondContact O-OG1 3.5Å; A121-T125 VanDerWaalsContact O-OG1 3.06Å; F122-T125 PolarHBondContact O-N 3.32Å
126F78.8Confident82.9Confident124 Ų12474.2 Ų74.254%0.54439%0.391SS..Hα-helixtrans-101.75.3-175.5-66.3-79.3000114.2F122 L128F122-F126 HydrophobicContact CD1-CD2 4.27Å; F122-F126 AromaticContact CD2-CD2 3.39Å; F122-F126 HydrophobicContact CD2-CD2 3.39Å; F122-F126 AromaticContact CD2-CE2 3.4Å; F122-F126 HydrophobicContact CD2-CE2 3.4Å; F122-F126 HydrophobicContact CE1-CD2 4.2Å; F122-F126 AromaticContact CE2-CD2 3.29Å; F122-F126 HydrophobicContact CE2-CD2 3.29Å; F122-F126 AromaticContact CE2-CE2 3.22Å; F122-F126 HydrophobicContact CE2-CE2 3.22Å; F122-F126 HydrophobicContact CE2-CG 4.22Å; F122-F126 HydrophobicContact CE2-CZ 4.1Å; F122-F126 AromaticContact CG-CD2 3.89Å; F122-F126 HydrophobicContact CG-CD2 3.89Å; F122-F126 HydrophobicContact CG-CE2 4.32Å; F122-F126 AromaticContact CZ-CD2 3.72Å; F122-F126 HydrophobicContact CZ-CD2 3.72Å; F122-F126 HydrophobicContact CZ-CE2 4.05Å; F122-F126 HydrophobicContact CZ-CG 4.26Å; F122-F126 WeakPolarHBondContact O-CD2 3.44Å; F122-F126 PolarHBondContact O-N 2.84Å; F126-L128 HydrophobicContact CB-CD1 4.01Å; F126-L128 HydrophobicContact CB-CG 3.9Å; F126-L128 PolarHBondContact O-N 2.62Å; F126-L128 VanDerWaalsContact O-N 3.17Å
127N75.7Confident82.6Confident152 Ų15275.8 Ų75.881%0.81340%0.403SS*.THydrogen-bonded Turntrans49.339.7179.7-162.230.9000113.6Q123Q123-N127 WeakPolarHBondContact O-CA 3.07Å; Q123-N127 PolarHBondContact O-N 3.32Å
128L76.7Confident82.5Confident68 Ų6876.1 Ų76.136%0.35640%0.396SS..  trans-84.3139.3-179.2-63.3172.3000110.3F122 Q123 F126 L130F122-L128 HydrophobicContact CD1-CD1 3.95Å; F122-L128 HydrophobicContact CE1-CD1 3.37Å; F122-L128 HydrophobicContact CZ-CD1 4.24Å; Q123-L128 WeakPolarHBondContact CG-O 3.31Å; Q123-L128 PolarHBondContact O-N 3.46Å; F126-L128 HydrophobicContact CB-CD1 4.01Å; F126-L128 HydrophobicContact CB-CG 3.9Å; F126-L128 PolarHBondContact O-N 2.62Å; F126-L128 VanDerWaalsContact O-N 3.17Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 2.87Å
129R83Confident82.6Confident185 Ų18580.3 Ų80.370%0.69840%0.402SS*.EExtended strand (participates in β ladder)trans-81.387.6169.4-65.1-176.6-178.2173.11.2108.9S105 I107S105-R129 WeakPolarHBondContact O-CB 3.39Å; I107-R129 PolarHBondContact N-O 3.33Å
130L89.3Confident82.8Confident10 Ų1082.2 Ų82.25%0.05241%0.413CS..EExtended strand (participates in β ladder)trans-116.3121.3-177-163.469.9000110L97 I107 V109 L119 Q123 L128 Q132L97-L130 HydrophobicContact CD2-CD1 3.61Å; I107-L130 HydrophobicContact CB-CD1 3.88Å; I107-L130 HydrophobicContact CG2-CD1 3.91Å; I107-L130 CarbonylContact O-C 3.5Å; I107-L130 VanDerWaalsContact O-CA 3.29Å; I107-L130 WeakPolarHBondContact O-CA 3.35Å; V109-L130 HydrophobicContact CG2-CD1 3.59Å; V109-L130 HydrophobicContact CG2-CD2 4.47Å; V109-L130 HydrophobicContact CG2-CG 4.18Å; L119-L130 HydrophobicContact CD1-CD2 4.04Å; L119-L130 HydrophobicContact CD2-CD2 3.48Å; L119-L130 VanDerWaalsContact CD2-CD2 3.48Å; L119-L130 HydrophobicContact CG-CD2 3.42Å; L119-L130 VanDerWaalsContact CG-CD2 3.42Å; Q123-L130 HydrophobicContact CB-CB 4.49Å; Q123-L130 VanDerWaalsContact CD-O 3.28Å; Q123-L130 HydrophobicContact CG-CB 3.95Å; Q123-L130 PolarHBondContact NE2-O 3.49Å; Q123-L130 PolarHBondContact OE1-O 3.02Å; L128-L130 VanDerWaalsContact C-N 3.33Å; L128-L130 PolarHBondContact O-N 2.87Å; L130-Q132 HydrophobicContact CD2-CG 4.49Å
131D89.5Confident83.2Confident42 Ų4279.3 Ų79.323%0.22540%0.395CS..EExtended strand (participates in β ladder)trans-105.1121.6171.4-169.1-11.9000108.8I107 G108 V109 R133 L148I107-D131 PolarHBondContact O-N 2.86Å; G108-D131 CarbonylContact C-O 3.57Å; G108-D131 VanDerWaalsContact CA-O 3.32Å; G108-D131 WeakPolarHBondContact CA-O 3.29Å; V109-D131 PolarHBondContact N-O 3.46Å; D131-R133 IonicContact OD1-CZ 3.04Å; D131-R133 IonicContact OD1-NE 3.92Å; D131-R133 PolarHBondContact OD1-NE 2.84Å; D131-R133 IonicContact OD1-NH2 2.91Å; D131-R133 IonicContact OD2-CZ 3.53Å; D131-R133 IonicContact OD2-NE 3.21Å; D131-R133 PolarHBondContact OD2-NE 2.84Å; D131-R133 IonicContact OD2-NH2 3.52Å; D131-R133 PolarHBondContact OD2-NH2 3.11Å; D131-L148 HydrophobicContact CB-CD2 3.59Å; D131-L148 WeakPolarHBondContact OD2-CD2 3.18Å
132Q92.4Very high83.9Confident29 Ų2982 Ų8214%0.13639%0.393CS..EExtended strand (participates in β ladder)trans-105123-178.4-67.9-175.762.200110.2V109 T115 I116 L119 L130V109-Q132 HydrophobicContact CB-CG 4.47Å; V109-Q132 WeakPolarHBondContact O-CA 3.23Å; T115-Q132 HydrophobicContact CG2-CB 4.32Å; I116-Q132 PolarHBondContact O-OE1 2.74Å; L119-Q132 HydrophobicContact CD2-CG 4.1Å; L130-Q132 HydrophobicContact CD2-CG 4.49Å
133R92.1Very high84.5Confident54 Ų5480.8 Ų80.820%0.20440%0.395CS..EExtended strand (participates in β ladder)trans-125.7156.4176.7-55.7-61.4179.8117.72.2110.9V109 V110 T111 D131 Q144 E147 L148V109-R133 PolarHBondContact O-N 3.46Å; V110-R133 WeakPolarHBondContact CA-O 3.3Å; V110-R133 HydrophobicContact CG1-CB 4.34Å; V110-R133 HydrophobicContact CG2-CB 4.22Å; T111-R133 PolarHBondContact N-O 3.17Å; D131-R133 IonicContact OD1-CZ 3.04Å; D131-R133 IonicContact OD1-NE 3.92Å; D131-R133 PolarHBondContact OD1-NE 2.84Å; D131-R133 IonicContact OD1-NH2 2.91Å; D131-R133 IonicContact OD2-CZ 3.53Å; D131-R133 IonicContact OD2-NE 3.21Å; D131-R133 PolarHBondContact OD2-NE 2.84Å; D131-R133 IonicContact OD2-NH2 3.52Å; D131-R133 PolarHBondContact OD2-NH2 3.11Å; R133-Q144 HydrophobicContact CB-CB 4.21Å; R133-Q144 HydrophobicContact CB-CG 4.17Å; R133-Q144 HydrophobicContact CG-CB 4.48Å; R133-E147 IonicContact CZ-OE2 2.92Å; R133-E147 IonicContact NH1-OE2 2.8Å; R133-E147 PolarHBondContact NH1-OE2 2.88Å; R133-E147 IonicContact NH2-OE2 2.76Å; R133-L148 HydrophobicContact CG-CD1 4.4Å; R133-L148 HydrophobicContact CG-CD2 4.29Å; R133-L148 HydrophobicContact CG-CG 4.37Å
134S90.2Very high85Confident42 Ų4279.5 Ų79.529%0.29439%0.389SS..EExtended strand (participates in β ladder)trans-123.5153.6170.556.50000109.9T111T111-S134 CarbonylContact O-C 3.33Å; T111-S134 WeakPolarHBondContact O-CA 3.4Å
135Y87Confident85.8Confident4 Ų471.5 Ų71.52%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-134.7154.6173.973.1-78000112.3V110 T111 Y112 Q113 T137 D140 A141 L161 I162V110-Y135 HydrophobicContact CG1-CD1 3.77Å; V110-Y135 HydrophobicContact CG1-CE1 4.38Å; T111-Y135 WeakPolarHBondContact O-CD1 3.44Å; T111-Y135 PolarHBondContact O-N 3.16Å; Y112-Y135 HydrophobicContact CD2-CD2 4.26Å; Y112-Y135 AromaticContact CD2-CE2 3.93Å; Y112-Y135 HydrophobicContact CD2-CE2 3.93Å; Y112-Y135 VanDerWaalsContact CD2-O 3.26Å; Y112-Y135 WeakPolarHBondContact CD2-O 3.32Å; Q113-Y135 PolarHBondContact N-O 3.36Å; Y135-T137 WeakPolarHBondContact CD2-O 3.43Å; Y135-D140 WeakPolarHBondContact CA-OD2 3.19Å; Y135-A141 HydrophobicContact CD2-CB 3.72Å; Y135-A141 HydrophobicContact CE2-CB 4.3Å; Y135-A141 HydrophobicContact CG-CB 3.84Å; Y135-L161 HydrophobicContact CE2-CD2 3.94Å; Y135-I162 HydrophobicContact CD1-CD1 3.72Å; Y135-I162 HydrophobicContact CD1-CG1 4.15Å; Y135-I162 HydrophobicContact CE1-CD1 3.6Å; Y135-I162 HydrophobicContact CE1-CG1 3.57Å; Y135-I162 HydrophobicContact CG-CD1 4.3Å
136I76.6Confident86.4Confident106 Ų10670.5 Ų70.554%0.54435%0.345SS..SBendtrans-115.3-37.8174.2-57.4174.6000111.4Y112 D140Y112-I136 WeakPolarHBondContact CE2-O 3.43Å; I136-D140 PolarHBondContact N-OD2 3.27Å
137T77.8Confident87.1Confident75 Ų7569.1 Ų69.146%0.4634%0.34SS..SBendtrans-116.4165.5-179.967.80000111.2Y135 E139 D140 A141Y135-T137 WeakPolarHBondContact CD2-O 3.43Å; T137-E139 VanDerWaalsContact C-N 3.32Å; T137-D140 PolarHBondContact O-N 2.87Å; T137-D140 VanDerWaalsContact OG1-CB 3.3Å; T137-D140 WeakPolarHBondContact OG1-CB 3.38Å; T137-D140 PolarHBondContact OG1-N 3.2Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; T137-A141 WeakPolarHBondContact O-CB 3.42Å; T137-A141 PolarHBondContact O-N 2.85Å
138E78.5Confident88Confident110 Ų11061.9 Ų61.951%0.51430%0.301SS..Hα-helixtrans-65.9-34.8174.8179.8171.8176.900112.6A141 R142 L161E138-A141 WeakPolarHBondContact O-CB 3.4Å; E138-A141 PolarHBondContact O-N 3.26Å; E138-R142 PolarHBondContact O-N 3.12Å; E138-L161 HydrophobicContact CB-CD2 4.29Å; E138-L161 HydrophobicContact CG-CD1 4.09Å; E138-L161 HydrophobicContact CG-CD2 4.31Å
139E81.9Confident88.8Confident166 Ų16663.9 Ų63.978%0.77631%0.307SS*.Hα-helixtrans-65.6-44.8175.4-173.2176.8-174.700111.6T137 A141 R142 G143T137-E139 VanDerWaalsContact C-N 3.32Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 2.72Å; E139-R142 PolarHBondContact O-N 3.38Å; E139-G143 PolarHBondContact O-N 3.25Å
140D86.7Confident89.2Confident49 Ų4959.3 Ų59.326%0.26231%0.309SS..Hα-helixtrans-59.7-45.5173178.221.6000110.7Y135 I136 T137 R142 G143 Q144Y135-D140 WeakPolarHBondContact CA-OD2 3.19Å; I136-D140 PolarHBondContact N-OD2 3.27Å; T137-D140 PolarHBondContact O-N 2.87Å; T137-D140 VanDerWaalsContact OG1-CB 3.3Å; T137-D140 WeakPolarHBondContact OG1-CB 3.38Å; T137-D140 PolarHBondContact OG1-N 3.2Å; T137-D140 VanDerWaalsContact OG1-N 3.15Å; D140-R142 VanDerWaalsContact C-N 3.33Å; D140-R142 PolarHBondContact O-N 2.99Å; D140-G143 WeakPolarHBondContact O-CA 3.47Å; D140-G143 PolarHBondContact O-N 3.2Å; D140-G143 VanDerWaalsContact O-N 3.09Å; D140-Q144 WeakPolarHBondContact O-CG 3.33Å; D140-Q144 PolarHBondContact O-N 2.91Å; D140-Q144 PolarHBondContact OD1-NE2 2.99Å
141A89.7Confident89.4Confident0 Ų063.8 Ų63.80%033%0.333CS..Hα-helixtrans-55.8-45.2174.500000112.4Y135 T137 E138 E139 G143 Q144 I145 L161 I162 L165Y135-A141 HydrophobicContact CD2-CB 3.72Å; Y135-A141 HydrophobicContact CE2-CB 4.3Å; Y135-A141 HydrophobicContact CG-CB 3.84Å; T137-A141 WeakPolarHBondContact O-CB 3.42Å; T137-A141 PolarHBondContact O-N 2.85Å; E138-A141 WeakPolarHBondContact O-CB 3.4Å; E138-A141 PolarHBondContact O-N 3.26Å; E139-A141 VanDerWaalsContact C-N 3.35Å; E139-A141 PolarHBondContact O-N 2.72Å; A141-G143 VanDerWaalsContact C-N 3.34Å; A141-Q144 PolarHBondContact O-N 2.88Å; A141-I145 WeakPolarHBondContact O-CG1 3.46Å; A141-I145 PolarHBondContact O-N 3.16Å; A141-L161 HydrophobicContact CB-CD2 4.24Å; A141-I162 HydrophobicContact CB-CD1 3.75Å; A141-L165 HydrophobicContact CB-CD1 3.79Å
142R92.9Very high89.4Confident117 Ų11763.8 Ų63.844%0.44234%0.343SS..Hα-helixtrans-64.3-39.8177-162174.9-153.9102.213.4111.6E138 E139 D140 I145 N146 L165 E168E138-R142 PolarHBondContact O-N 3.12Å; E139-R142 PolarHBondContact O-N 3.38Å; D140-R142 VanDerWaalsContact C-N 3.33Å; D140-R142 PolarHBondContact O-N 2.99Å; R142-I145 PolarHBondContact O-N 2.89Å; R142-N146 VanDerWaalsContact O-CG 3.31Å; R142-N146 PolarHBondContact O-N 3.17Å; R142-N146 PolarHBondContact O-ND2 2.8Å; R142-L165 HydrophobicContact CB-CD1 4.41Å; R142-L165 HydrophobicContact CB-CD2 4.49Å; R142-L165 HydrophobicContact CG-CD2 4.27Å; R142-E168 IonicContact CZ-OE2 3.35Å; R142-E168 IonicContact NH1-OE2 2.67Å; R142-E168 IonicContact NH2-OE2 3.87Å; R142-E168 PolarHBondContact NH2-OE2 3.4Å
143G91.8Very high89.5Confident29 Ų2962.9 Ų62.930%0.29934%0.339SS..Hα-helixtrans-57.5-53.3172.700000112.3E139 D140 A141 I145 N146 E147E139-G143 PolarHBondContact O-N 3.25Å; D140-G143 WeakPolarHBondContact O-CA 3.47Å; D140-G143 PolarHBondContact O-N 3.2Å; D140-G143 VanDerWaalsContact O-N 3.09Å; A141-G143 VanDerWaalsContact C-N 3.34Å; G143-I145 VanDerWaalsContact C-N 3.31Å; G143-I145 PolarHBondContact O-N 3.34Å; G143-N146 PolarHBondContact O-N 3.01Å; G143-E147 PolarHBondContact O-N 3.47Å
144Q94.4Very high89.5Confident30 Ų3065.8 Ų65.814%0.1436%0.355CS..Hα-helixtrans-59.2-40.6179.1-61.1-49.6-43.700112.1R133 D140 A141 E147 L148R133-Q144 HydrophobicContact CB-CB 4.21Å; R133-Q144 HydrophobicContact CB-CG 4.17Å; R133-Q144 HydrophobicContact CG-CB 4.48Å; D140-Q144 WeakPolarHBondContact O-CG 3.33Å; D140-Q144 PolarHBondContact O-N 2.91Å; D140-Q144 PolarHBondContact OD1-NE2 2.99Å; A141-Q144 PolarHBondContact O-N 2.88Å; Q144-E147 PolarHBondContact O-N 3.1Å; Q144-L148 WeakPolarHBondContact O-CB 3.35Å; Q144-L148 VanDerWaalsContact O-CG 3.25Å; Q144-L148 WeakPolarHBondContact O-CG 3.34Å; Q144-L148 PolarHBondContact O-N 2.97Å
145I95.6Very high89.7Confident2 Ų263.8 Ų63.81%0.0134%0.341CS..Hα-helixtrans-65.2-42.1178.4-70.7-67000111.9V110 A141 R142 G143 L148 K149 V156 I162 L165 A166 A169 M171V110-I145 HydrophobicContact CG2-CD1 4.45Å; A141-I145 WeakPolarHBondContact O-CG1 3.46Å; A141-I145 PolarHBondContact O-N 3.16Å; R142-I145 PolarHBondContact O-N 2.89Å; G143-I145 VanDerWaalsContact C-N 3.31Å; G143-I145 PolarHBondContact O-N 3.34Å; I145-L148 PolarHBondContact O-N 3.34Å; I145-K149 PolarHBondContact O-N 3.13Å; I145-V156 HydrophobicContact CD1-CB 4.46Å; I145-V156 HydrophobicContact CD1-CG1 3.87Å; I145-V156 HydrophobicContact CD1-CG2 4.26Å; I145-I162 HydrophobicContact CD1-CG2 4Å; I145-L165 HydrophobicContact CG1-CB 4Å; I145-L165 HydrophobicContact CG2-CB 4.31Å; I145-A166 HydrophobicContact CD1-CB 4.2Å; I145-A169 HydrophobicContact CG2-CB 3.83Å; I145-M171 HydrophobicContact CB-CE 4.46Å; I145-M171 HydrophobicContact CD1-CE 4.37Å; I145-M171 HydrophobicContact CG2-CE 3.52Å; I145-M171 WeakPolarHBondContact O-CE 3.11Å
146N94Very high90.1Very high87 Ų8763.6 Ų63.647%0.46534%0.341SS..Hα-helixtrans-66.7-39.7177.4-73.1-28.2000112.1R142 G143 K149 A150R142-N146 VanDerWaalsContact O-CG 3.31Å; R142-N146 PolarHBondContact O-N 3.17Å; R142-N146 PolarHBondContact O-ND2 2.8Å; G143-N146 PolarHBondContact O-N 3.01Å; N146-K149 PolarHBondContact O-N 2.8Å; N146-A150 WeakPolarHBondContact O-CB 3.21Å; N146-A150 PolarHBondContact O-N 3.47Å
147E93.9Very high91Very high94 Ų9458.5 Ų58.544%0.43932%0.315SS..Hα-helixtrans-63.8-44.1173.7-74.5-173.9-169.200111.9R133 G143 Q144 K149 A150 N151R133-E147 IonicContact CZ-OE2 2.92Å; R133-E147 IonicContact NH1-OE2 2.8Å; R133-E147 PolarHBondContact NH1-OE2 2.88Å; R133-E147 IonicContact NH2-OE2 2.76Å; G143-E147 PolarHBondContact O-N 3.47Å; Q144-E147 PolarHBondContact O-N 3.1Å; E147-K149 VanDerWaalsContact C-N 3.3Å; E147-K149 PolarHBondContact O-N 3.33Å; E147-A150 PolarHBondContact O-N 3.35Å; E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 VanDerWaalsContact O-CG 3.31Å; E147-N151 PolarHBondContact O-N 2.93Å
148L94.6Very high91.7Very high0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-58.5-43.7175.8-76.5171.9000111.4V110 D131 R133 Q144 I145 N151 G152 T153 V156V110-L148 HydrophobicContact CG2-CD1 3.5Å; V110-L148 VanDerWaalsContact CG2-CD1 3.5Å; D131-L148 HydrophobicContact CB-CD2 3.59Å; D131-L148 WeakPolarHBondContact OD2-CD2 3.18Å; R133-L148 HydrophobicContact CG-CD1 4.4Å; R133-L148 HydrophobicContact CG-CD2 4.29Å; R133-L148 HydrophobicContact CG-CG 4.37Å; Q144-L148 WeakPolarHBondContact O-CB 3.35Å; Q144-L148 VanDerWaalsContact O-CG 3.25Å; Q144-L148 WeakPolarHBondContact O-CG 3.34Å; Q144-L148 PolarHBondContact O-N 2.97Å; I145-L148 PolarHBondContact O-N 3.34Å; L148-N151 PolarHBondContact O-N 3.1Å; L148-G152 PolarHBondContact O-N 3.16Å; L148-T153 HydrophobicContact CB-CG2 4.42Å; L148-T153 WeakPolarHBondContact O-CB 3.36Å; L148-T153 PolarHBondContact O-N 3.27Å; L148-T153 PolarHBondContact O-OG1 3.35Å; L148-V156 HydrophobicContact CD1-CG1 4.43Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å
149K93.5Very high92.2Very high111 Ų11150.5 Ų50.548%0.48328%0.275SS..Hα-helixtrans-63-44175.4-175.7176.6177.6179.70112I145 N146 E147 N151 G152 A169 M171I145-K149 PolarHBondContact O-N 3.13Å; N146-K149 PolarHBondContact O-N 2.8Å; E147-K149 VanDerWaalsContact C-N 3.3Å; E147-K149 PolarHBondContact O-N 3.33Å; K149-N151 PolarHBondContact O-N 3.37Å; K149-G152 PolarHBondContact O-N 2.88Å; K149-A169 HydrophobicContact CD-CB 4.15Å; K149-A169 VanDerWaalsContact CD-O 3.29Å; K149-A169 WeakPolarHBondContact CD-O 3.39Å; K149-A169 WeakPolarHBondContact CE-O 3.49Å; K149-A169 PolarHBondContact NZ-O 2.83Å; K149-M171 HydrophobicContact CB-CE 4.07Å; K149-M171 HydrophobicContact CB-CG 4.49Å; K149-M171 HydrophobicContact CB-SD 3.83Å; K149-M171 HydrophobicContact CG-CG 4.49Å; K149-M171 HydrophobicContact CG-SD 4.42Å
150A91.6Very high92.5Very high88 Ų8843.3 Ų43.373%0.72725%0.245SC*.Hα-helixtrans-61.8-32.817700000112.3N146 E147 G152N146-A150 WeakPolarHBondContact O-CB 3.21Å; N146-A150 PolarHBondContact O-N 3.47Å; E147-A150 PolarHBondContact O-N 3.35Å; A150-G152 PolarHBondContact O-N 2.97Å
151N92.1Very high92.5Very high104 Ų10442.9 Ų42.956%0.55624%0.243SC*.THydrogen-bonded Turntrans-78.12.3175.1-68.8-16.2000114E147 L148 K149E147-N151 WeakPolarHBondContact O-CB 3.46Å; E147-N151 VanDerWaalsContact O-CG 3.31Å; E147-N151 PolarHBondContact O-N 2.93Å; L148-N151 PolarHBondContact O-N 3.1Å; K149-N151 PolarHBondContact O-N 3.37Å
152G90.5Very high92.6Very high43 Ų4342.9 Ų42.944%0.44324%0.243SC..THydrogen-bonded Turntrans75.629.4-17900000113.7S106 L148 K149 A150S106-G152 WeakPolarHBondContact CB-O 3.29Å; S106-G152 PolarHBondContact OG-O 3.49Å; L148-G152 PolarHBondContact O-N 3.16Å; K149-G152 PolarHBondContact O-N 2.88Å; A150-G152 PolarHBondContact O-N 2.97Å
153T93.2Very high92.6Very high9 Ų937.3 Ų37.36%0.05522%0.222CC..  trans-72.5129.9167.9-53.40000109.1L148 A155 V156L148-T153 HydrophobicContact CB-CG2 4.42Å; L148-T153 WeakPolarHBondContact O-CB 3.36Å; L148-T153 PolarHBondContact O-N 3.27Å; L148-T153 PolarHBondContact O-OG1 3.35Å; T153-A155 VanDerWaalsContact CG2-O 3.28Å; T153-A155 WeakPolarHBondContact CG2-O 3.46Å; T153-V156 HydrophobicContact CG2-CG2 4.16Å
154E92.3Very high92.5Very high115 Ų11538.2 Ų38.254%0.53722%0.22SC..  trans-103.7-27.8-177.1-66.6176.8177.700112.4T104 S106 T172T104-E154 WeakPolarHBondContact CB-OE2 3.26Å; T104-E154 HydrophobicContact CG2-CB 4.05Å; T104-E154 WeakPolarHBondContact OG1-CB 3.42Å; T104-E154 PolarHBondContact OG1-OE2 3Å; S106-E154 PolarHBondContact O-N 3.15Å; S106-E154 VanDerWaalsContact O-N 3.16Å; E154-T172 PolarHBondContact O-N 3.33Å
155A95.3Very high92.4Very high0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-131.1141.8176.700000111.8A100 T104 S106 I107 G108 T153 T172A100-A155 HydrophobicContact CB-CB 4.45Å; T104-A155 HydrophobicContact CG2-CB 3.41Å; T104-A155 VanDerWaalsContact CG2-CB 3.41Å; S106-A155 PolarHBondContact O-N 3.03Å; I107-A155 CarbonylContact C-O 3.57Å; I107-A155 WeakPolarHBondContact CA-O 3.27Å; G108-A155 PolarHBondContact N-O 2.97Å; T153-A155 VanDerWaalsContact CG2-O 3.28Å; T153-A155 WeakPolarHBondContact CG2-O 3.46Å; A155-T172 CarbonylContact C-O 3.56Å; A155-T172 VanDerWaalsContact CA-O 3.23Å; A155-T172 WeakPolarHBondContact CA-O 3.49Å
156V95.9Very high92.4Very high0 Ų037 Ų370%021%0.214CC..EExtended strand (participates in β ladder)trans-125.3125.6179.8-175.70000110.5G108 V110 I145 L148 T153 I162 A166 M171 T172 I174G108-V156 CarbonylContact O-C 3.56Å; G108-V156 WeakPolarHBondContact O-CA 3.19Å; V110-V156 HydrophobicContact CG2-CG1 3.78Å; I145-V156 HydrophobicContact CD1-CB 4.46Å; I145-V156 HydrophobicContact CD1-CG1 3.87Å; I145-V156 HydrophobicContact CD1-CG2 4.26Å; L148-V156 HydrophobicContact CD1-CG1 4.43Å; L148-V156 HydrophobicContact CD1-CG2 4.32Å; T153-V156 HydrophobicContact CG2-CG2 4.16Å; V156-I162 HydrophobicContact CG1-CG2 3.56Å; V156-A166 HydrophobicContact CB-CB 3.83Å; V156-A166 HydrophobicContact CG2-CB 4.06Å; V156-M171 HydrophobicContact CG2-CE 3.73Å; V156-M171 HydrophobicContact CG2-SD 3.86Å; V156-T172 PolarHBondContact N-O 3.16Å; V156-I174 PolarHBondContact O-N 3.34Å
157V94.4Very high92.4Very high0 Ų037.3 Ų37.30%021%0.213CC..EExtended strand (participates in β ladder)trans-94.6127.6172.8177.60000109.6A96 L97 A100 I107 G108 V109 V110 I174 I176A96-V157 HydrophobicContact CB-CG1 3.55Å; A96-V157 HydrophobicContact CB-CG2 4.17Å; L97-V157 HydrophobicContact CD2-CG2 4.12Å; A100-V157 HydrophobicContact CB-CG2 4.28Å; I107-V157 HydrophobicContact CG2-CG2 4.13Å; G108-V157 PolarHBondContact O-N 3.25Å; V109-V157 WeakPolarHBondContact CA-O 3.42Å; V109-V157 HydrophobicContact CG2-CB 4.24Å; V110-V157 PolarHBondContact N-O 2.89Å; V157-I174 WeakPolarHBondContact CA-O 3.26Å; V157-I174 HydrophobicContact CG2-CB 4.19Å; V157-I174 HydrophobicContact CG2-CG2 4.48Å; V157-I176 HydrophobicContact CG1-CB 4.19Å; V157-I176 HydrophobicContact CG1-CD1 4.25Å; V157-I176 HydrophobicContact CG1-CG1 4.1Å
158G92.5Very high92.3Very high0 Ų039 Ų390%022%0.221CC..EExtended strand (participates in β ladder)trans-177.7-171.6173.500000114.8T163 I174 F175 I176G158-T163 PolarHBondContact O-OG1 3.17Å; G158-I174 PolarHBondContact N-O 3.2Å; G158-F175 WeakPolarHBondContact O-CA 3.35Å; G158-I176 WeakPolarHBondContact O-CG2 3.46Å; G158-I176 PolarHBondContact O-N 2.69Å
159A89.9Confident92.3Very high16 Ų1639.6 Ų39.613%0.13223%0.225CC..SBendtrans-72.5172.2174.200000111.5L161 I162 T163 Y177A159-L161 VanDerWaalsContact C-N 3.35Å; A159-L161 PolarHBondContact O-N 3.03Å; A159-L161 VanDerWaalsContact O-N 3.16Å; A159-I162 WeakPolarHBondContact O-CA 3.22Å; A159-I162 WeakPolarHBondContact O-CB 3.43Å; A159-I162 PolarHBondContact O-N 3.29Å; A159-T163 PolarHBondContact O-N 3.05Å; A159-T163 PolarHBondContact O-OG1 3.4Å; A159-Y177 HydrophobicContact CB-CE2 3.99Å
160G87.3Confident92.2Very high15 Ų1537.6 Ų37.616%0.15524%0.237CC..Hα-helixtrans-50.9-46.7-170.500000114.7I162 T163 D164G160-I162 VanDerWaalsContact C-N 3.32Å; G160-I162 PolarHBondContact O-N 2.87Å; G160-T163 PolarHBondContact O-N 3.43Å; G160-T163 VanDerWaalsContact O-N 3.16Å; G160-D164 VanDerWaalsContact O-CG 3.24Å; G160-D164 PolarHBondContact O-N 3.41Å
161L86.9Confident92.4Very high40 Ų4034 Ų3421%0.20921%0.205CC..Hα-helixtrans-56.2-44.6176.7178.164.1000112.6Y135 E138 A141 A159 L165Y135-L161 HydrophobicContact CE2-CD2 3.94Å; E138-L161 HydrophobicContact CB-CD2 4.29Å; E138-L161 HydrophobicContact CG-CD1 4.09Å; E138-L161 HydrophobicContact CG-CD2 4.31Å; A141-L161 HydrophobicContact CB-CD2 4.24Å; A159-L161 VanDerWaalsContact C-N 3.35Å; A159-L161 PolarHBondContact O-N 3.03Å; A159-L161 VanDerWaalsContact O-N 3.16Å; L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 4.07Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.95Å
162I92.5Very high92.5Very high0 Ų032.1 Ų32.10%020%0.197CC..Hα-helixtrans-66.5-42.5178.9-64.2-50.6000110.6V110 Y135 A141 I145 V156 A159 G160 L165 A166V110-I162 HydrophobicContact CB-CB 4.49Å; V110-I162 HydrophobicContact CB-CD1 4.08Å; V110-I162 HydrophobicContact CB-CG1 4Å; V110-I162 HydrophobicContact CB-CG2 3.67Å; V110-I162 HydrophobicContact CG1-CD1 3.53Å; V110-I162 HydrophobicContact CG1-CG1 3.89Å; V110-I162 HydrophobicContact CG1-CG2 4.37Å; V110-I162 HydrophobicContact CG2-CG2 4.11Å; Y135-I162 HydrophobicContact CD1-CD1 3.72Å; Y135-I162 HydrophobicContact CD1-CG1 4.15Å; Y135-I162 HydrophobicContact CE1-CD1 3.6Å; Y135-I162 HydrophobicContact CE1-CG1 3.57Å; Y135-I162 HydrophobicContact CG-CD1 4.3Å; A141-I162 HydrophobicContact CB-CD1 3.75Å; I145-I162 HydrophobicContact CD1-CG2 4Å; V156-I162 HydrophobicContact CG1-CG2 3.56Å; A159-I162 WeakPolarHBondContact O-CA 3.22Å; A159-I162 WeakPolarHBondContact O-CB 3.43Å; A159-I162 PolarHBondContact O-N 3.29Å; G160-I162 VanDerWaalsContact C-N 3.32Å; G160-I162 PolarHBondContact O-N 2.87Å; I162-L165 PolarHBondContact O-N 3.36Å; I162-A166 VanDerWaalsContact O-CB 3.29Å; I162-A166 WeakPolarHBondContact O-CB 3.42Å; I162-A166 PolarHBondContact O-N 3.34Å
163T91.6Very high92.6Very high0 Ų030.7 Ų30.70%018%0.182CC..Hα-helixtrans-64.3-42.9-179.2-39.10000111.5G158 A159 G160 A166 E167 G173G158-T163 PolarHBondContact O-OG1 3.17Å; A159-T163 PolarHBondContact O-N 3.05Å; A159-T163 PolarHBondContact O-OG1 3.4Å; G160-T163 PolarHBondContact O-N 3.43Å; G160-T163 VanDerWaalsContact O-N 3.16Å; T163-A166 PolarHBondContact O-N 3.28Å; T163-E167 PolarHBondContact O-N 2.96Å; T163-E167 VanDerWaalsContact O-N 3.13Å; T163-G173 VanDerWaalsContact CG2-CA 3.44Å
164D90.3Very high92.6Very high48 Ų4830.6 Ų30.626%0.25718%0.182SC..Hα-helixtrans-66.5-45.7178.2-64-16.4000110.9T20 R21 G160 A166 E167 E168T20-D164 PolarHBondContact OG1-OD2 3.18Å; R21-D164 IonicContact CZ-OD1 3.73Å; R21-D164 VanDerWaalsContact CZ-OD1 3.26Å; R21-D164 IonicContact NE-OD1 2.8Å; R21-D164 PolarHBondContact NE-OD1 2.72Å; R21-D164 IonicContact NH2-OD1 3.37Å; R21-D164 PolarHBondContact NH2-OD1 2.95Å; G160-D164 VanDerWaalsContact O-CG 3.24Å; G160-D164 PolarHBondContact O-N 3.41Å; D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 3.48Å; D164-E167 PolarHBondContact O-N 3Å; D164-E168 WeakPolarHBondContact O-CG 3.37Å; D164-E168 PolarHBondContact O-N 3.44Å
165L93Very high92.7Very high8 Ų827 Ų274%0.04216%0.164CC..Hα-helixtrans-62.4-37.6175.6-71.7173.8000112.7A141 R142 I145 L161 I162 A169A141-L165 HydrophobicContact CB-CD1 3.79Å; R142-L165 HydrophobicContact CB-CD1 4.41Å; R142-L165 HydrophobicContact CB-CD2 4.49Å; R142-L165 HydrophobicContact CG-CD2 4.27Å; I145-L165 HydrophobicContact CG1-CB 4Å; I145-L165 HydrophobicContact CG2-CB 4.31Å; L161-L165 HydrophobicContact CD1-CD1 4.1Å; L161-L165 HydrophobicContact CD1-CG 4.31Å; L161-L165 HydrophobicContact CG-CD1 4.07Å; L161-L165 WeakPolarHBondContact O-CB 3.41Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.95Å; I162-L165 PolarHBondContact O-N 3.36Å; L165-A169 WeakPolarHBondContact O-CB 3.47Å; L165-A169 PolarHBondContact O-N 2.97Å
166A94.6Very high92.5Very high0 Ų027.3 Ų27.30%017%0.166CC..Hα-helixtrans-63.4-44.3176.700000111.4I145 V156 I162 T163 D164 A169 G170 M171I145-A166 HydrophobicContact CD1-CB 4.2Å; V156-A166 HydrophobicContact CB-CB 3.83Å; V156-A166 HydrophobicContact CG2-CB 4.06Å; I162-A166 VanDerWaalsContact O-CB 3.29Å; I162-A166 WeakPolarHBondContact O-CB 3.42Å; I162-A166 PolarHBondContact O-N 3.34Å; T163-A166 PolarHBondContact O-N 3.28Å; D164-A166 VanDerWaalsContact C-N 3.33Å; D164-A166 PolarHBondContact O-N 3.48Å; A166-A169 CarbonylContact O-C 3.56Å; A166-A169 WeakPolarHBondContact O-CB 3.21Å; A166-A169 PolarHBondContact O-N 3.39Å; A166-G170 PolarHBondContact O-N 2.96Å; A166-M171 CarbonylContact C-O 3.51Å; A166-M171 HydrophobicContact CB-CB 4.31Å; A166-M171 HydrophobicContact CB-CE 4.3Å; A166-M171 WeakPolarHBondContact O-CA 3.32Å; A166-M171 WeakPolarHBondContact O-CB 3.32Å; A166-M171 PolarHBondContact O-N 3.46Å
167E94Very high92.2Very high93 Ų9328.2 Ų28.244%0.43517%0.169SC..Hα-helixtrans-69.4-38.9177.8-73.1174.9-16400112.6R21 T163 D164 A169 G170 M171R21-E167 IonicContact CZ-OE1 2.87Å; R21-E167 VanDerWaalsContact CZ-OE1 3.29Å; R21-E167 IonicContact CZ-OE2 2.83Å; R21-E167 IonicContact NH1-OE1 3.13Å; R21-E167 PolarHBondContact NH1-OE1 2.61Å; R21-E167 IonicContact NH1-OE2 3.52Å; R21-E167 IonicContact NH2-OE1 3.29Å; R21-E167 PolarHBondContact NH2-OE1 2.81Å; R21-E167 IonicContact NH2-OE2 3.58Å; R21-E167 PolarHBondContact NH2-OE2 2.79Å; T163-E167 PolarHBondContact O-N 2.96Å; T163-E167 VanDerWaalsContact O-N 3.13Å; D164-E167 PolarHBondContact O-N 3Å; E167-A169 PolarHBondContact O-N 3.42Å; E167-G170 WeakPolarHBondContact O-CA 3.47Å; E167-G170 PolarHBondContact O-N 3.06Å; E167-M171 WeakPolarHBondContact CA-O 3.49Å
168E92.7Very high91.9Very high129 Ų12928.9 Ų28.960%0.60317%0.174SC*.Hα-helixtrans-57.8-36.9169.8-77-178.6-16500111.7R142 D164 G170R142-E168 IonicContact CZ-OE2 3.35Å; R142-E168 IonicContact NH1-OE2 2.67Å; R142-E168 IonicContact NH2-OE2 3.87Å; R142-E168 PolarHBondContact NH2-OE2 3.4Å; D164-E168 WeakPolarHBondContact O-CG 3.37Å; D164-E168 PolarHBondContact O-N 3.44Å; E168-G170 PolarHBondContact O-N 2.75Å
169A93.4Very high91.7Very high12 Ų1230.4 Ų30.410%0.09919%0.187CC..THydrogen-bonded Turntrans-78-1.3174.600000112.9I145 K149 L165 A166 E167 M171I145-A169 HydrophobicContact CG2-CB 3.83Å; K149-A169 HydrophobicContact CD-CB 4.15Å; K149-A169 VanDerWaalsContact CD-O 3.29Å; K149-A169 WeakPolarHBondContact CD-O 3.39Å; K149-A169 WeakPolarHBondContact CE-O 3.49Å; K149-A169 PolarHBondContact NZ-O 2.83Å; L165-A169 WeakPolarHBondContact O-CB 3.47Å; L165-A169 PolarHBondContact O-N 2.97Å; A166-A169 CarbonylContact O-C 3.56Å; A166-A169 WeakPolarHBondContact O-CB 3.21Å; A166-A169 PolarHBondContact O-N 3.39Å; E167-A169 PolarHBondContact O-N 3.42Å; A169-M171 VanDerWaalsContact C-N 3.35Å; A169-M171 HydrophobicContact CB-CE 4.12Å
170G92.3Very high91.6Very high70 Ų7032.2 Ų32.272%0.72220%0.201SC*.THydrogen-bonded Turntrans76.218-179.200000114.7A166 E167 E168A166-G170 PolarHBondContact O-N 2.96Å; E167-G170 WeakPolarHBondContact O-CA 3.47Å; E167-G170 PolarHBondContact O-N 3.06Å; E168-G170 PolarHBondContact O-N 2.75Å
171M94.9Very high91.7Very high12 Ų1232.3 Ų32.36%0.05920%0.199CC..SBendtrans-94.4161.4169.8-64.2-175.7-70.500110.6I145 K149 V156 A166 E167 A169 G173I145-M171 HydrophobicContact CB-CE 4.46Å; I145-M171 HydrophobicContact CD1-CE 4.37Å; I145-M171 HydrophobicContact CG2-CE 3.52Å; I145-M171 WeakPolarHBondContact O-CE 3.11Å; K149-M171 HydrophobicContact CB-CE 4.07Å; K149-M171 HydrophobicContact CB-CG 4.49Å; K149-M171 HydrophobicContact CB-SD 3.83Å; K149-M171 HydrophobicContact CG-CG 4.49Å; K149-M171 HydrophobicContact CG-SD 4.42Å; V156-M171 HydrophobicContact CG2-CE 3.73Å; V156-M171 HydrophobicContact CG2-SD 3.86Å; A166-M171 CarbonylContact C-O 3.51Å; A166-M171 HydrophobicContact CB-CB 4.31Å; A166-M171 HydrophobicContact CB-CE 4.3Å; A166-M171 WeakPolarHBondContact O-CA 3.32Å; A166-M171 WeakPolarHBondContact O-CB 3.32Å; A166-M171 PolarHBondContact O-N 3.46Å; E167-M171 WeakPolarHBondContact CA-O 3.49Å; A169-M171 VanDerWaalsContact C-N 3.35Å; A169-M171 HydrophobicContact CB-CE 4.12Å; M171-G173 PolarHBondContact O-N 3.3Å
172T94.2Very high92Very high65 Ų6530.4 Ų30.440%0.39919%0.189SC..EExtended strand (participates in β ladder)trans-77.7110.6175.2-57.80000110.4L103 E154 A155 V156 I174L103-T172 HydrophobicContact CD1-CG2 3.92Å; E154-T172 PolarHBondContact O-N 3.33Å; A155-T172 CarbonylContact C-O 3.56Å; A155-T172 VanDerWaalsContact CA-O 3.23Å; A155-T172 WeakPolarHBondContact CA-O 3.49Å; V156-T172 PolarHBondContact N-O 3.16Å; T172-I174 HydrophobicContact CG2-CG1 4.32Å
173G94.2Very high91.9Very high12 Ų1235 Ų3512%0.12421%0.206CC..EExtended strand (participates in β ladder)trans-81.2126.417400000112.5T163 M171T163-G173 VanDerWaalsContact CG2-CA 3.44Å; M171-G173 PolarHBondContact O-N 3.3Å
174I93.4Very high91.8Very high8 Ų839.9 Ų39.94%0.04123%0.229CC..EExtended strand (participates in β ladder)trans-116.9120.1171.8-56.3-168.7000110.3A96 K99 A100 V156 V157 G158 T172A96-I174 HydrophobicContact CB-CG2 3.98Å; K99-I174 HydrophobicContact CB-CD1 4.24Å; K99-I174 HydrophobicContact CD-CG2 4.37Å; K99-I174 HydrophobicContact CG-CD1 4.22Å; A100-I174 HydrophobicContact CB-CD1 3.61Å; A100-I174 VanDerWaalsContact N-CD1 3.34Å; V156-I174 PolarHBondContact O-N 3.34Å; V157-I174 WeakPolarHBondContact CA-O 3.26Å; V157-I174 HydrophobicContact CG2-CB 4.19Å; V157-I174 HydrophobicContact CG2-CG2 4.48Å; G158-I174 PolarHBondContact N-O 3.2Å; T172-I174 HydrophobicContact CG2-CG1 4.32Å
175F92.6Very high91.8Very high40 Ų4037.8 Ų37.818%0.17522%0.219CC..EExtended strand (participates in β ladder)trans-74129.8179.4-170.8-110.7000111.2R21 L22 L25 G158 Y177R21-F175 HydrophobicContact CB-CD2 3.84Å; R21-F175 HydrophobicContact CB-CE2 3.81Å; R21-F175 HydrophobicContact CB-CG 4.27Å; R21-F175 HydrophobicContact CB-CZ 4.25Å; L22-F175 HydrophobicContact CB-CZ 3.89Å; L22-F175 HydrophobicContact CD1-CE1 4.34Å; L22-F175 HydrophobicContact CD1-CZ 4.03Å; L25-F175 HydrophobicContact CD1-CD1 3.78Å; L25-F175 HydrophobicContact CD1-CE1 3.37Å; L25-F175 HydrophobicContact CD1-CZ 4.46Å; G158-F175 WeakPolarHBondContact O-CA 3.35Å; F175-Y177 AromaticContact CE1-CD2 3.84Å; F175-Y177 HydrophobicContact CE1-CD2 3.84Å; F175-Y177 HydrophobicContact CE1-CG 4.26Å; F175-Y177 HydrophobicContact CE2-CD2 4.02Å; F175-Y177 AromaticContact CZ-CD2 3.48Å; F175-Y177 HydrophobicContact CZ-CD2 3.48Å; F175-Y177 VanDerWaalsContact CZ-CD2 3.48Å; F175-Y177 HydrophobicContact CZ-CE2 4.35Å; F175-Y177 HydrophobicContact CZ-CG 4.3Å
176I91.4Very high91.8Very high6 Ų637.4 Ų37.43%0.03122%0.217CC..  trans-77.9-33.2-169.9-165.1168000114.4P88 D92 V93 V157 G158P88-I176 HydrophobicContact CB-CD1 3.75Å; P88-I176 HydrophobicContact CB-CG1 3.8Å; P88-I176 HydrophobicContact CB-CG2 4.35Å; P88-I176 HydrophobicContact CG-CD1 3.82Å; P88-I176 HydrophobicContact CG-CG1 4.4Å; D92-I176 WeakPolarHBondContact CB-O 3.34Å; V93-I176 HydrophobicContact CG2-CD1 4.02Å; V93-I176 HydrophobicContact CG2-CG1 4.48Å; V157-I176 HydrophobicContact CG1-CB 4.19Å; V157-I176 HydrophobicContact CG1-CD1 4.25Å; V157-I176 HydrophobicContact CG1-CG1 4.1Å; G158-I176 WeakPolarHBondContact O-CG2 3.46Å; G158-I176 PolarHBondContact O-N 2.69Å
177Y90Very high91.5Very high19 Ų1939.5 Ų39.58%0.07523%0.231CC..  trans-82.5130.7-171.7-57.1-86.5000112A68 G69 I86 P88 A159 F175 T181A68-Y177 HydrophobicContact CB-CE1 4.19Å; A68-Y177 HydrophobicContact CB-CE2 4.05Å; G69-Y177 PolarHBondContact N-OH 3.37Å; I86-Y177 HydrophobicContact CB-CE1 4.23Å; I86-Y177 HydrophobicContact CG2-CD1 3.64Å; I86-Y177 HydrophobicContact CG2-CE1 3.68Å; P88-Y177 HydrophobicContact CB-CD1 4.38Å; P88-Y177 HydrophobicContact CB-CE1 4.24Å; P88-Y177 HydrophobicContact CG-CE1 4.41Å; A159-Y177 HydrophobicContact CB-CE2 3.99Å; F175-Y177 AromaticContact CE1-CD2 3.84Å; F175-Y177 HydrophobicContact CE1-CD2 3.84Å; F175-Y177 HydrophobicContact CE1-CG 4.26Å; F175-Y177 HydrophobicContact CE2-CD2 4.02Å; F175-Y177 AromaticContact CZ-CD2 3.48Å; F175-Y177 HydrophobicContact CZ-CD2 3.48Å; F175-Y177 VanDerWaalsContact CZ-CD2 3.48Å; F175-Y177 HydrophobicContact CZ-CE2 4.35Å; F175-Y177 HydrophobicContact CZ-CG 4.3Å; Y177-T181 HydrophobicContact CD1-CG2 4.41Å
178S88.6Confident91.1Very high14 Ų1438.5 Ų38.510%0.09823%0.229CC..  trans-88.9164.7170.3760000112.6D92 A180 T181 V182D92-S178 WeakPolarHBondContact OD1-CB 3.47Å; D92-S178 PolarHBondContact OD1-N 2.89Å; D92-S178 VanDerWaalsContact OD1-N 3.1Å; D92-S178 PolarHBondContact OD1-OG 3.42Å; S178-A180 PolarHBondContact O-N 3.44Å; S178-A180 PolarHBondContact OG-N 3.45Å; S178-T181 PolarHBondContact O-N 3.33Å; S178-T181 PolarHBondContact OG-N 3.29Å; S178-V182 PolarHBondContact O-N 3.12Å
179A89Confident90.9Very high32 Ų3232.4 Ų32.426%0.26420%0.2SC..Hα-helixtrans-55.8-36.8170.200000112.9I29 T181 V182 R183I29-A179 HydrophobicContact CD1-CB 3.95Å; A179-T181 PolarHBondContact O-N 3.45Å; A179-V182 PolarHBondContact O-N 2.92Å; A179-R183 WeakPolarHBondContact O-CG 3.48Å; A179-R183 PolarHBondContact O-N 3.36Å
180A87Confident90.6Very high53 Ų5332.1 Ų32.144%0.43820%0.197SC..Hα-helixtrans-63.4-43.1-178.800000111.8S178 R183 Q184S178-A180 PolarHBondContact O-N 3.44Å; S178-A180 PolarHBondContact OG-N 3.45Å; A180-R183 PolarHBondContact O-N 2.83Å; A180-Q184 PolarHBondContact O-N 2.96Å
181T90.2Very high90Very high18 Ų1832 Ų3211%0.1118%0.18CC..Hα-helixtrans-68.9-35.1179-64.90000112.4I86 K87 D92 Y177 S178 A179 Q184 A185I86-T181 HydrophobicContact CG2-CG2 3.61Å; K87-T181 WeakPolarHBondContact O-CG2 3.44Å; D92-T181 PolarHBondContact OD1-OG1 2.74Å; D92-T181 VanDerWaalsContact OD1-OG1 3.06Å; D92-T181 WeakPolarHBondContact OD2-CB 3.46Å; D92-T181 PolarHBondContact OD2-OG1 2.6Å; Y177-T181 HydrophobicContact CD1-CG2 4.41Å; S178-T181 PolarHBondContact O-N 3.33Å; S178-T181 PolarHBondContact OG-N 3.29Å; A179-T181 PolarHBondContact O-N 3.45Å; T181-Q184 PolarHBondContact O-N 2.82Å; T181-A185 PolarHBondContact O-N 2.8Å; T181-A185 VanDerWaalsContact O-N 3.1Å
182V91.5Very high89.2Confident0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-66.1-43.6172.2176.90000111.1L22 F26 I29 I86 S178 A179 Q184 A185 F186L22-V182 HydrophobicContact CD1-CG2 4.1Å; F26-V182 HydrophobicContact CD1-CG1 3.62Å; F26-V182 HydrophobicContact CE1-CG1 3.84Å; I29-V182 HydrophobicContact CB-CG1 4.03Å; I29-V182 HydrophobicContact CG1-CB 4.4Å; I29-V182 HydrophobicContact CG1-CG1 4.07Å; I29-V182 HydrophobicContact CG2-CG1 4.08Å; I86-V182 HydrophobicContact CD1-CG2 4.43Å; S178-V182 PolarHBondContact O-N 3.12Å; A179-V182 PolarHBondContact O-N 2.92Å; V182-Q184 VanDerWaalsContact C-N 3.32Å; V182-Q184 PolarHBondContact O-N 2.94Å; V182-A185 WeakPolarHBondContact O-CB 3.43Å; V182-A185 PolarHBondContact O-N 3.19Å; V182-F186 HydrophobicContact CG1-CD2 4Å; V182-F186 HydrophobicContact CG1-CE2 3.86Å; V182-F186 WeakPolarHBondContact O-CD2 3.34Å; V182-F186 PolarHBondContact O-N 3.42Å; V182-F186 VanDerWaalsContact O-N 3.1Å
183R91.6Very high88.3Confident95 Ų9531.9 Ų31.936%0.35818%0.176SC..Hα-helixtrans-58.8-42.9174-74.1-174.2-164.41017.6112.4I29 E32 F33 A179 A180 A185 F186 S187I29-R183 HydrophobicContact CD1-CG 4.13Å; I29-R183 HydrophobicContact CG2-CG 3.68Å; E32-R183 IonicContact OE1-CZ 3.6Å; E32-R183 IonicContact OE1-NE 3.96Å; E32-R183 PolarHBondContact OE1-NE 3.15Å; E32-R183 IonicContact OE1-NH2 2.93Å; E32-R183 PolarHBondContact OE1-NH2 3.46Å; E32-R183 WeakPolarHBondContact OE2-CD 3.19Å; E32-R183 IonicContact OE2-CZ 2.67Å; E32-R183 IonicContact OE2-NE 3.33Å; E32-R183 PolarHBondContact OE2-NE 3.39Å; E32-R183 IonicContact OE2-NH2 3.97Å; F33-R183 HydrophobicContact CE2-CB 4.46Å; F33-R183 HydrophobicContact CE2-CG 4.21Å; F33-R183 HydrophobicContact CZ-CB 4.39Å; A179-R183 WeakPolarHBondContact O-CG 3.48Å; A179-R183 PolarHBondContact O-N 3.36Å; A180-R183 PolarHBondContact O-N 2.83Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.1Å; R183-F186 PolarHBondContact O-N 3.2Å; R183-S187 PolarHBondContact O-N 2.95Å
184Q88.8Confident87.1Confident104 Ų10436.8 Ų36.849%0.48619%0.19SC..Hα-helixtrans-60.5-43.1177.6-171.859.149.100110.8A180 T181 V182 F186 S187 D188A180-Q184 PolarHBondContact O-N 2.96Å; T181-Q184 PolarHBondContact O-N 2.82Å; V182-Q184 VanDerWaalsContact C-N 3.32Å; V182-Q184 PolarHBondContact O-N 2.94Å; Q184-F186 VanDerWaalsContact C-N 3.31Å; Q184-F186 PolarHBondContact O-N 2.92Å; Q184-S187 WeakPolarHBondContact O-CB 3.49Å; Q184-S187 PolarHBondContact O-N 3.43Å; Q184-S187 VanDerWaalsContact O-N 3.12Å; Q184-D188 PolarHBondContact NE2-OD1 2.77Å; Q184-D188 PolarHBondContact O-N 3.21Å
185A91.2Very high85.3Confident4 Ų442 Ų423%0.03322%0.216CC..Hα-helixtrans-62.3-36.2176.800000113.3I66 I84 I86 T181 V182 R183 A189I66-A185 HydrophobicContact CG2-CB 4.03Å; I84-A185 HydrophobicContact CG2-CB 4.44Å; I86-A185 HydrophobicContact CD1-CB 3.87Å; I86-A185 HydrophobicContact CG1-CB 3.66Å; T181-A185 PolarHBondContact O-N 2.8Å; T181-A185 VanDerWaalsContact O-N 3.1Å; V182-A185 WeakPolarHBondContact O-CB 3.43Å; V182-A185 PolarHBondContact O-N 3.19Å; R183-A185 VanDerWaalsContact C-N 3.29Å; R183-A185 PolarHBondContact O-N 3.1Å; A185-A189 VanDerWaalsContact O-CB 3.32Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.43Å
186F92.3Very high83.4Confident0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-66.4-42.2171.7-85.7-76.2000112.3T16 F26 I29 F33 I39 I66 V182 R183 Q184 A189 L190T16-F186 HydrophobicContact CG2-CE1 3.97Å; T16-F186 HydrophobicContact CG2-CE2 4.47Å; T16-F186 HydrophobicContact CG2-CZ 3.56Å; F26-F186 AromaticContact CD1-CE2 3.91Å; F26-F186 HydrophobicContact CD1-CE2 3.91Å; F26-F186 HydrophobicContact CD1-CZ 4.28Å; F26-F186 HydrophobicContact CE1-CE2 4.4Å; I29-F186 HydrophobicContact CB-CE2 4.35Å; I29-F186 HydrophobicContact CG2-CD2 3.8Å; I29-F186 HydrophobicContact CG2-CE2 3.96Å; F33-F186 HydrophobicContact CD1-CB 4.11Å; F33-F186 HydrophobicContact CD2-CB 3.85Å; F33-F186 HydrophobicContact CD2-CD1 4.31Å; F33-F186 HydrophobicContact CD2-CD2 4.18Å; F33-F186 AromaticContact CD2-CG 3.88Å; F33-F186 HydrophobicContact CD2-CG 3.88Å; F33-F186 HydrophobicContact CE1-CB 3.86Å; F33-F186 HydrophobicContact CE2-CB 3.62Å; F33-F186 HydrophobicContact CE2-CD2 4.18Å; F33-F186 HydrophobicContact CE2-CG 4.02Å; F33-F186 HydrophobicContact CG-CB 4.1Å; F33-F186 HydrophobicContact CG-CD1 4.36Å; F33-F186 HydrophobicContact CG-CG 4.27Å; F33-F186 HydrophobicContact CZ-CB 3.61Å; F33-F186 HydrophobicContact CZ-CG 4.48Å; I39-F186 HydrophobicContact CD1-CD1 4.08Å; I39-F186 HydrophobicContact CD1-CE1 3.49Å; I39-F186 VanDerWaalsContact CD1-CE1 3.49Å; I39-F186 HydrophobicContact CD1-CZ 4.22Å; I39-F186 HydrophobicContact CG1-CE1 3.98Å; I39-F186 HydrophobicContact CG2-CE1 4.07Å; I39-F186 HydrophobicContact CG2-CZ 4.32Å; I66-F186 HydrophobicContact CD1-CB 4.5Å; I66-F186 HydrophobicContact CD1-CD1 3.57Å; I66-F186 HydrophobicContact CD1-CD2 4.39Å; I66-F186 HydrophobicContact CD1-CE1 3.81Å; I66-F186 HydrophobicContact CD1-CG 3.89Å; I66-F186 HydrophobicContact CD1-CZ 4.35Å; V182-F186 HydrophobicContact CG1-CD2 4Å; V182-F186 HydrophobicContact CG1-CE2 3.86Å; V182-F186 WeakPolarHBondContact O-CD2 3.34Å; V182-F186 PolarHBondContact O-N 3.42Å; V182-F186 VanDerWaalsContact O-N 3.1Å; R183-F186 PolarHBondContact O-N 3.2Å; Q184-F186 VanDerWaalsContact C-N 3.31Å; Q184-F186 PolarHBondContact O-N 2.92Å; F186-A189 PolarHBondContact O-N 3.1Å; F186-L190 WeakPolarHBondContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CG 2.99Å; F186-L190 PolarHBondContact O-N 3.29Å
187S87.9Confident81.4Confident43 Ų4343.7 Ų43.730%0.30123%0.23SC..Hα-helixtrans-60.1-47174.4-165.90000111.2R183 Q184 A189 L190 D191R183-S187 PolarHBondContact O-N 2.95Å; Q184-S187 WeakPolarHBondContact O-CB 3.49Å; Q184-S187 PolarHBondContact O-N 3.43Å; Q184-S187 VanDerWaalsContact O-N 3.12Å; S187-A189 VanDerWaalsContact C-N 3.31Å; S187-A189 PolarHBondContact O-N 3.05Å; S187-L190 PolarHBondContact O-N 3.06Å; S187-L190 VanDerWaalsContact O-N 3.17Å; S187-D191 PolarHBondContact O-N 3.48Å
188D86.6Confident79.2Confident73 Ų7349.8 Ų49.839%0.3925%0.253SS..Hα-helixtrans-61.3-41.1178.1-64.8-11.9000111.2Q184 D191 M192Q184-D188 PolarHBondContact NE2-OD1 2.77Å; Q184-D188 PolarHBondContact O-N 3.21Å; D188-D191 PolarHBondContact O-N 2.95Å; D188-M192 WeakPolarHBondContact O-CB 3.44Å; D188-M192 PolarHBondContact O-N 3.48Å
189A88.9Confident77.1Confident0 Ų053.9 Ų53.90%027%0.271CS..Hα-helixtrans-65.7-41.5175.500000111.9I14 I66 I84 A185 F186 S187 M192 T193I14-A189 HydrophobicContact CD1-CB 3.96Å; I66-A189 HydrophobicContact CD1-CB 3.74Å; I66-A189 HydrophobicContact CG1-CB 3.93Å; I84-A189 HydrophobicContact CD1-CB 3.82Å; I84-A189 HydrophobicContact CG1-CB 4.15Å; A185-A189 VanDerWaalsContact O-CB 3.32Å; A185-A189 WeakPolarHBondContact O-CB 3.32Å; A185-A189 PolarHBondContact O-N 3.43Å; F186-A189 PolarHBondContact O-N 3.1Å; S187-A189 VanDerWaalsContact C-N 3.31Å; S187-A189 PolarHBondContact O-N 3.05Å; A189-M192 PolarHBondContact O-N 3.41Å; A189-T193 WeakPolarHBondContact O-CB 3.39Å; A189-T193 WeakPolarHBondContact O-CG2 3.4Å; A189-T193 PolarHBondContact O-N 3.5Å; A189-T193 PolarHBondContact O-OG1 3.44Å
190L86.4Confident74.8Confident6 Ų658.6 Ų58.63%0.03129%0.292CS..Hα-helixtrans-64.3-42.7175.1-78.9174.3000112P12 I14 F33 L36 A37 F186 S187 T193 R194P12-L190 HydrophobicContact CG-CD2 4.2Å; I14-L190 HydrophobicContact CD1-CD2 4.13Å; I14-L190 HydrophobicContact CD1-CG 4.29Å; F33-L190 HydrophobicContact CD1-CD1 3.61Å; F33-L190 HydrophobicContact CE1-CD1 4.02Å; L36-L190 HydrophobicContact CB-CD1 3.98Å; L36-L190 HydrophobicContact CB-CD2 4.23Å; L36-L190 HydrophobicContact CD1-CD1 3.85Å; A37-L190 HydrophobicContact CB-CD2 3.8Å; F186-L190 WeakPolarHBondContact O-CB 3.27Å; F186-L190 WeakPolarHBondContact O-CG 2.99Å; F186-L190 PolarHBondContact O-N 3.29Å; S187-L190 PolarHBondContact O-N 3.06Å; S187-L190 VanDerWaalsContact O-N 3.17Å; L190-T193 WeakPolarHBondContact CA-OG1 3.33Å; L190-T193 PolarHBondContact O-N 2.85Å; L190-T193 PolarHBondContact O-OG1 3.2Å; L190-R194 VanDerWaalsContact O-CB 3.24Å; L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 WeakPolarHBondContact O-CD 3.48Å; L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 3.03Å
191D79.6Confident72.3Confident67 Ų6759.7 Ų59.736%0.35829%0.293SS..Hα-helixtrans-67.1-43.3178.1-72.4-25.3000110.9S187 D188 T193 R194 M195S187-D191 PolarHBondContact O-N 3.48Å; D188-D191 PolarHBondContact O-N 2.95Å; D191-T193 PolarHBondContact O-N 3.31Å; D191-R194 PolarHBondContact O-N 3.38Å; D191-M195 HydrophobicContact CB-CE 4.41Å; D191-M195 WeakPolarHBondContact O-CB 3.15Å; D191-M195 WeakPolarHBondContact O-CG 3.2Å; D191-M195 PolarHBondContact O-N 3.21Å
192M78.6Confident70.1Confident75 Ų7567.5 Ų67.537%0.36933%0.327SS..Hα-helixtrans-62.6-44.2175.4-175.2177.6-170.700112.1P82 I84 D188 A189 M195 S196P82-M192 HydrophobicContact CB-CE 3.43Å; P82-M192 VanDerWaalsContact CB-CE 3.43Å; P82-M192 HydrophobicContact CB-SD 3.87Å; P82-M192 HydrophobicContact CG-CE 3.78Å; I84-M192 HydrophobicContact CD1-SD 4.29Å; I84-M192 HydrophobicContact CG1-SD 4.45Å; D188-M192 WeakPolarHBondContact O-CB 3.44Å; D188-M192 PolarHBondContact O-N 3.48Å; A189-M192 PolarHBondContact O-N 3.41Å; M192-M195 PolarHBondContact O-N 2.98Å; M192-S196 WeakPolarHBondContact O-CB 3.36Å; M192-S196 PolarHBondContact O-N 2.9Å; M192-S196 PolarHBondContact O-OG 3.38Å
193T74.6Confident67.5Low1 Ų171.1 Ų71.11%0.00635%0.347CS..Hα-helixtrans-69.3-38.7178.352.80000111.2P12 D63 A64 A189 L190 D191 M195 S196 L197P12-T193 HydrophobicContact CB-CG2 4.3Å; D63-T193 HydrophobicContact CB-CG2 3.53Å; A64-T193 HydrophobicContact CB-CG2 3.59Å; A189-T193 WeakPolarHBondContact O-CB 3.39Å; A189-T193 WeakPolarHBondContact O-CG2 3.4Å; A189-T193 PolarHBondContact O-N 3.5Å; A189-T193 PolarHBondContact O-OG1 3.44Å; L190-T193 WeakPolarHBondContact CA-OG1 3.33Å; L190-T193 PolarHBondContact O-N 2.85Å; L190-T193 PolarHBondContact O-OG1 3.2Å; D191-T193 PolarHBondContact O-N 3.31Å; T193-M195 VanDerWaalsContact C-N 3.32Å; T193-M195 PolarHBondContact O-N 2.87Å; T193-S196 CarbonylContact O-C 3.58Å; T193-S196 PolarHBondContact O-N 3.25Å; T193-S196 VanDerWaalsContact O-N 3.15Å; T193-L197 WeakPolarHBondContact O-CB 3.44Å; T193-L197 WeakPolarHBondContact O-CG 3.25Å; T193-L197 PolarHBondContact O-N 3.1Å
194R68.1Low65Low114 Ų11466.8 Ų66.843%0.4333%0.331SS..Hα-helixtrans-62.5-38.4171.4-73.9168.1178.3174.9-0.7111.9L190 D191 R198L190-R194 VanDerWaalsContact O-CB 3.24Å; L190-R194 WeakPolarHBondContact O-CB 3.28Å; L190-R194 WeakPolarHBondContact O-CD 3.48Å; L190-R194 WeakPolarHBondContact O-CG 3.47Å; L190-R194 PolarHBondContact O-N 3.03Å; D191-R194 PolarHBondContact O-N 3.38Å; R194-R198 WeakPolarHBondContact O-CD 3.46Å; R194-R198 WeakPolarHBondContact O-CG 3.4Å; R194-R198 PolarHBondContact O-N 2.96Å; R194-R198 VanDerWaalsContact O-N 3.16Å
195M55.6Low62.7Low117 Ų11765 Ų6558%0.57633%0.328SS*.Hα-helixtrans-65.5-39.3172.5-72.3-177.7-152.800111.7D191 M192 T193 R198 H199D191-M195 HydrophobicContact CB-CE 4.41Å; D191-M195 WeakPolarHBondContact O-CB 3.15Å; D191-M195 WeakPolarHBondContact O-CG 3.2Å; D191-M195 PolarHBondContact O-N 3.21Å; M192-M195 PolarHBondContact O-N 2.98Å; T193-M195 VanDerWaalsContact C-N 3.32Å; T193-M195 PolarHBondContact O-N 2.87Å; M195-R198 WeakPolarHBondContact O-CB 3.49Å; M195-R198 PolarHBondContact O-N 3.44Å; M195-H199 PolarHBondContact O-N 3.48Å; M195-H199 VanDerWaalsContact O-N 3.1Å; M195-H199 PolarHBondContact O-ND1 3.23Å
196S53.6Low60.1Low45 Ų4569.8 Ų69.832%0.31535%0.345SS..Hα-helixtrans-77.4-34.2-178.4-57.60000112.9M192 T193 R198 H199 N200M192-S196 WeakPolarHBondContact O-CB 3.36Å; M192-S196 PolarHBondContact O-N 2.9Å; M192-S196 PolarHBondContact O-OG 3.38Å; T193-S196 CarbonylContact O-C 3.58Å; T193-S196 PolarHBondContact O-N 3.25Å; T193-S196 VanDerWaalsContact O-N 3.15Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 2.91Å; S196-H199 WeakPolarHBondContact O-CA 3.39Å; S196-H199 WeakPolarHBondContact O-CB 3.36Å; S196-H199 PolarHBondContact O-N 3.48Å; S196-N200 PolarHBondContact O-N 3.16Å
197L50Low57.4Low38 Ų3872 Ų7220%0.19936%0.356CS..Hα-helixtrans-62.2-39.1171-80173.1000110.6P12 R61 T193 H199 T201P12-L197 HydrophobicContact CG-CD1 3.97Å; R61-L197 VanDerWaalsContact NH2-CD2 3.29Å; T193-L197 WeakPolarHBondContact O-CB 3.44Å; T193-L197 WeakPolarHBondContact O-CG 3.25Å; T193-L197 PolarHBondContact O-N 3.1Å; L197-H199 VanDerWaalsContact C-N 3.31Å; L197-T201 PolarHBondContact O-OG1 3.05Å
198R42.8Very low55.3Low146 Ų14673.2 Ų73.255%0.55137%0.37SS*.Hα-helixtrans-65.4-34.2168.6-67.8170.6159.2-171.7-2.5110.8R194 M195 S196 A204R194-R198 WeakPolarHBondContact O-CD 3.46Å; R194-R198 WeakPolarHBondContact O-CG 3.4Å; R194-R198 PolarHBondContact O-N 2.96Å; R194-R198 VanDerWaalsContact O-N 3.16Å; M195-R198 WeakPolarHBondContact O-CB 3.49Å; M195-R198 PolarHBondContact O-N 3.44Å; S196-R198 VanDerWaalsContact C-N 3.28Å; S196-R198 PolarHBondContact O-N 2.91Å; R198-A204 HydrophobicContact CB-CB 3.52Å; R198-A204 WeakPolarHBondContact O-CA 3.28Å; R198-A204 VanDerWaalsContact O-CB 3.22Å; R198-A204 WeakPolarHBondContact O-CB 3.49Å; R198-A204 PolarHBondContact O-N 3.22Å
199H44.6Very low53.7Low100 Ų10070.7 Ų70.746%0.46336%0.356SS..Hα-helixtrans-73.1-35.7-176.9-8672.1000114.4M195 S196 L197 T201 A204M195-H199 PolarHBondContact O-N 3.48Å; M195-H199 VanDerWaalsContact O-N 3.1Å; M195-H199 PolarHBondContact O-ND1 3.23Å; S196-H199 WeakPolarHBondContact O-CA 3.39Å; S196-H199 WeakPolarHBondContact O-CB 3.36Å; S196-H199 PolarHBondContact O-N 3.48Å; L197-H199 VanDerWaalsContact C-N 3.31Å; H199-T201 PolarHBondContact O-N 3.28Å; H199-A204 VanDerWaalsContact CA-CB 3.43Å; H199-A204 HydrophobicContact CB-CB 3.99Å; H199-A204 VanDerWaalsContact CE1-CB 3.49Å; H199-A204 WeakPolarHBondContact CE1-CB 3.14Å; H199-A204 VanDerWaalsContact CG-CB 3.49Å; H199-A204 WeakPolarHBondContact ND1-CB 3.45Å
200N40.2Very low52.1Low132 Ų13276.8 Ų76.871%0.70638%0.379SS*.THydrogen-bonded Turntrans-83.8-6.5-176.2-83-4000115S196S196-N200 PolarHBondContact O-N 3.16Å
201T36.4Very low50.7Low75 Ų7577.1 Ų77.146%0.4638%0.381SS..THydrogen-bonded Turntrans-115.372.3170.7450000109.2L197 H199 D203L197-T201 PolarHBondContact O-OG1 3.05Å; H199-T201 PolarHBondContact O-N 3.28Å; T201-D203 WeakPolarHBondContact O-CA 3.49Å; T201-D203 VanDerWaalsContact O-CB 3.26Å; T201-D203 WeakPolarHBondContact O-CB 3.44Å; T201-D203 PolarHBondContact O-N 3.47Å
202H43.1Very low49.7Very low182 Ų18283.1 Ų83.184%0.84340%0.399SS*.THydrogen-bonded Turntrans37.911.8166.9-85.5-54.1000120.1
203D37.5Very low48.8Very low77 Ų7783.7 Ų83.741%0.41240%0.397SS..  trans-135-13.4-164.3-82.4-32.3000114.3T201 R206 N207T201-D203 WeakPolarHBondContact O-CA 3.49Å; T201-D203 VanDerWaalsContact O-CB 3.26Å; T201-D203 WeakPolarHBondContact O-CB 3.44Å; T201-D203 PolarHBondContact O-N 3.47Å; D203-R206 WeakPolarHBondContact O-CA 3.3Å; D203-R206 VanDerWaalsContact O-CB 3.25Å; D203-R206 WeakPolarHBondContact O-CB 3.33Å; D203-R206 PolarHBondContact O-N 2.91Å; D203-R206 IonicContact OD1-CZ 4Å; D203-R206 IonicContact OD1-NE 2.74Å; D203-R206 IonicContact OD1-NH1 3.94Å; D203-R206 PolarHBondContact OD1-NH1 3.45Å; D203-N207 PolarHBondContact O-N 3.4Å
204A38.7Very low48.5Very low3 Ų386.9 Ų86.93%0.02542%0.417CS..Hα-helixtrans-79-24.7171.100000113.7R198 H199 R206 N207 A208R198-A204 HydrophobicContact CB-CB 3.52Å; R198-A204 WeakPolarHBondContact O-CA 3.28Å; R198-A204 VanDerWaalsContact O-CB 3.22Å; R198-A204 WeakPolarHBondContact O-CB 3.49Å; R198-A204 PolarHBondContact O-N 3.22Å; H199-A204 VanDerWaalsContact CA-CB 3.43Å; H199-A204 HydrophobicContact CB-CB 3.99Å; H199-A204 VanDerWaalsContact CE1-CB 3.49Å; H199-A204 WeakPolarHBondContact CE1-CB 3.14Å; H199-A204 VanDerWaalsContact CG-CB 3.49Å; H199-A204 WeakPolarHBondContact ND1-CB 3.45Å; A204-R206 PolarHBondContact O-N 3.25Å; A204-N207 PolarHBondContact O-N 2.82Å; A204-A208 PolarHBondContact O-N 3.36Å
205T40.3Very low48.4Very low67 Ų6782.6 Ų82.641%0.41140%0.403SS..Hα-helixtrans-52.8-38.5162.4-450000107N207 L209 I317T205-N207 PolarHBondContact O-N 3.09Å; T205-L209 HydrophobicContact CG2-CD1 3.56Å; T205-L209 WeakPolarHBondContact O-CB 3.34Å; T205-L209 WeakPolarHBondContact O-CD1 3.35Å; T205-L209 WeakPolarHBondContact O-CG 3.35Å; T205-L209 PolarHBondContact O-N 3.38Å; T205-I317 HydrophobicContact CG2-CG2 3.92Å
206R36.1Very low48.8Very low105 Ų10579.9 Ų79.940%0.39641%0.405SS..Hα-helixtrans-68.9-35.4172.9-60.9-179.6170.1146.3-4.3115.3D203 A204 L209 R210D203-R206 WeakPolarHBondContact O-CA 3.3Å; D203-R206 VanDerWaalsContact O-CB 3.25Å; D203-R206 WeakPolarHBondContact O-CB 3.33Å; D203-R206 PolarHBondContact O-N 2.91Å; D203-R206 IonicContact OD1-CZ 4Å; D203-R206 IonicContact OD1-NE 2.74Å; D203-R206 IonicContact OD1-NH1 3.94Å; D203-R206 PolarHBondContact OD1-NH1 3.45Å; A204-R206 PolarHBondContact O-N 3.25Å; R206-L209 CarbonylContact O-C 3.41Å; R206-R210 WeakPolarHBondContact O-CG 3.46Å; R206-R210 PolarHBondContact O-N 2.89Å
207N35.7Very low49.9Very low45 Ų4581.2 Ų81.224%0.24141%0.408CS..Hα-helixtrans-80-36-175.6-79.1-27.2000115.1D203 A204 T205 R210D203-N207 PolarHBondContact O-N 3.4Å; A204-N207 PolarHBondContact O-N 2.82Å; T205-N207 PolarHBondContact O-N 3.09Å; N207-R210 WeakPolarHBondContact O-CB 3.26Å; N207-R210 PolarHBondContact O-N 2.61Å; N207-R210 WeakPolarHBondContact OD1-CD 3.42Å; N207-R210 PolarHBondContact OD1-NE 3.1Å; N207-R210 PolarHBondContact OD1-NH1 3.34Å; N207-R210 VanDerWaalsContact OD1-NH1 3.11Å
208A44.8Very low51.3Low70 Ų7080.1 Ų80.158%0.57940%0.402SS*.Hα-helixtrans-71.3-24.9171.400000111.4A204 R210A204-A208 PolarHBondContact O-N 3.36Å; A208-R210 VanDerWaalsContact C-N 3.27Å
209L52.4Low53.1Low19 Ų1977 Ų7710%0.09940%0.396CS..THydrogen-bonded Turntrans-89.113.7173-55.6176.3000112.8T205 R206 P277 F278 V279 I317T205-L209 HydrophobicContact CG2-CD1 3.56Å; T205-L209 WeakPolarHBondContact O-CB 3.34Å; T205-L209 WeakPolarHBondContact O-CD1 3.35Å; T205-L209 WeakPolarHBondContact O-CG 3.35Å; T205-L209 PolarHBondContact O-N 3.38Å; R206-L209 CarbonylContact O-C 3.41Å; L209-P277 HydrophobicContact CB-CB 3.74Å; L209-P277 HydrophobicContact CD1-CB 3.46Å; L209-P277 VanDerWaalsContact CD1-CB 3.46Å; L209-P277 HydrophobicContact CG-CB 4.17Å; L209-P277 CarbonylContact O-C 3.53Å; L209-F278 WeakPolarHBondContact CA-O 3.41Å; L209-F278 WeakPolarHBondContact CD2-O 3.03Å; L209-F278 PolarHBondContact O-N 3.32Å; L209-V279 HydrophobicContact CD1-CG2 4.15Å; L209-V279 HydrophobicContact CD2-CB 4.06Å; L209-V279 HydrophobicContact CD2-CG1 4.37Å; L209-V279 HydrophobicContact CD2-CG2 3.45Å; L209-V279 VanDerWaalsContact CD2-CG2 3.45Å; L209-V279 HydrophobicContact CG-CG2 4.36Å; L209-I317 HydrophobicContact CD1-CG2 3.45Å; L209-I317 VanDerWaalsContact CD1-CG2 3.45Å; L209-I317 HydrophobicContact CD2-CG2 4.27Å; L209-I317 HydrophobicContact CG-CG2 4.43Å
210R55.8Low55Low128 Ų12873 Ų7348%0.48338%0.382SS..SBendtrans-83.2130.2168.1-84.3171.8-178.1-177.34.4108.9R206 N207 A208 R212 S275R206-R210 WeakPolarHBondContact O-CG 3.46Å; R206-R210 PolarHBondContact O-N 2.89Å; N207-R210 WeakPolarHBondContact O-CB 3.26Å; N207-R210 PolarHBondContact O-N 2.61Å; N207-R210 WeakPolarHBondContact OD1-CD 3.42Å; N207-R210 PolarHBondContact OD1-NE 3.1Å; N207-R210 PolarHBondContact OD1-NH1 3.34Å; N207-R210 VanDerWaalsContact OD1-NH1 3.11Å; A208-R210 VanDerWaalsContact C-N 3.27Å; R210-R212 PolarHBondContact O-N 3.28Å; R210-S275 VanDerWaalsContact CG-OG 3.24Å; R210-S275 WeakPolarHBondContact CG-OG 3.32Å; R210-S275 PolarHBondContact NE-OG 3.23Å
211T56.1Low57.1Low14 Ų1475.1 Ų75.19%0.08639%0.388CS..  trans-46.7137.6157.142.10000109.1Q257 H260 R261 F278T211-Q257 HydrophobicContact CG2-CB 3.8Å; T211-Q257 HydrophobicContact CG2-CG 3.97Å; T211-H260 HydrophobicContact CG2-CB 4.15Å; T211-H260 WeakPolarHBondContact CG2-CD2 3.34Å; T211-R261 HydrophobicContact CG2-CG 3.94Å; T211-R261 PolarHBondContact O-NH2 3.03Å; T211-R261 WeakPolarHBondContact OG1-CD 3.45Å; T211-R261 WeakPolarHBondContact OG1-CG 3.35Å; T211-R261 PolarHBondContact OG1-NE 3.49Å; T211-F278 HydrophobicContact CG2-CB 3.81Å; T211-F278 HydrophobicContact CG2-CD1 4.31Å; T211-F278 HydrophobicContact CG2-CD2 4.04Å; T211-F278 HydrophobicContact CG2-CG 3.78Å
212R58.7Low59.7Low193 Ų19371.7 Ų71.773%0.72837%0.367SS*.  trans-95.1-35.7174.3-64.6-179.3-172.8173.12.7110.1R210 R261R210-R212 PolarHBondContact O-N 3.28Å; R212-R261 PolarHBondContact O-NH1 2.76Å; R212-R261 VanDerWaalsContact O-NH1 3.17Å; R212-R261 PolarHBondContact O-NH2 2.85Å
213Y59.1Low62Low86 Ų8667.8 Ų67.834%0.33736%0.357SS..  trans-105.4135.6-168.7-54.9-74.4000113.9D217 L254 R261Y213-D217 WeakPolarHBondContact CA-OD2 3.48Å; Y213-D217 HydrophobicContact CD1-CB 4.09Å; Y213-L254 HydrophobicContact CD1-CD2 3.53Å; Y213-L254 HydrophobicContact CD2-CD2 3.17Å; Y213-L254 HydrophobicContact CE1-CD2 3.84Å; Y213-L254 HydrophobicContact CE2-CD2 3.5Å; Y213-L254 HydrophobicContact CG-CD2 3.17Å; Y213-R261 VanDerWaalsContact O-CD 3.25Å; Y213-R261 WeakPolarHBondContact O-CD 3.44Å; Y213-R261 PolarHBondContact O-NE 2.85Å; Y213-R261 PolarHBondContact O-NH1 3.27Å
214V69.3Low64.6Low69 Ų6967.4 Ų67.442%0.41835%0.353SS..  trans-92.8164.3173.8-167.90000108.4G216 D217V214-G216 PolarHBondContact O-N 2.98Å; V214-G216 VanDerWaalsContact O-N 3.1Å; V214-D217 PolarHBondContact N-OD2 2.82Å; V214-D217 WeakPolarHBondContact O-CB 3.36Å; V214-D217 PolarHBondContact O-N 3.32Å
215L65.4Low67.1Low24 Ų2467.7 Ų67.713%0.12635%0.354CS..G310 helixtrans-48.1-35.1167-165.377.5000112.9D217 M218 R229 I232 L233 A258L215-D217 PolarHBondContact O-N 2.9Å; L215-M218 HydrophobicContact CD1-CE 3.39Å; L215-M218 HydrophobicContact CG-CE 4.2Å; L215-M218 PolarHBondContact O-N 3.3Å; L215-R229 HydrophobicContact CD1-CB 4.47Å; L215-R229 HydrophobicContact CD1-CG 4.22Å; L215-R229 HydrophobicContact CG-CG 4.27Å; L215-I232 HydrophobicContact CD1-CB 4.12Å; L215-I232 HydrophobicContact CD1-CD1 4.37Å; L215-I232 HydrophobicContact CD1-CG2 3.6Å; L215-L233 HydrophobicContact CD2-CD1 4.27Å; L215-L233 HydrophobicContact CD2-CD2 3.91Å; L215-L233 HydrophobicContact CD2-CG 4.05Å; L215-A258 HydrophobicContact CB-CB 4.48Å; L215-A258 HydrophobicContact CD1-CB 4.01Å
216G64Low69.6Low60 Ų6068.2 Ų68.262%0.61935%0.352SS*.G310 helixtrans-67.6-17.3176.800000115.3V214 M218V214-G216 PolarHBondContact O-N 2.98Å; V214-G216 VanDerWaalsContact O-N 3.1Å; G216-M218 VanDerWaalsContact C-N 3.3Å
217D77.5Confident72.3Confident73 Ų7369.2 Ų69.239%0.3936%0.361SS..G310 helixtrans-81.2-11.6176-61.7-41.5000112.3Y213 V214 L215 L219Y213-D217 WeakPolarHBondContact CA-OD2 3.48Å; Y213-D217 HydrophobicContact CD1-CB 4.09Å; V214-D217 PolarHBondContact N-OD2 2.82Å; V214-D217 WeakPolarHBondContact O-CB 3.36Å; V214-D217 PolarHBondContact O-N 3.32Å; L215-D217 PolarHBondContact O-N 2.9Å; D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.16Å
218M79.3Confident75.1Confident15 Ų1567.4 Ų67.47%0.07435%0.352CS..SBendtrans-78.487.4167.9-78.3-175.8-63.500110.2L215 G216 M225 R229 I232 L254 A255 A258L215-M218 HydrophobicContact CD1-CE 3.39Å; L215-M218 HydrophobicContact CG-CE 4.2Å; L215-M218 PolarHBondContact O-N 3.3Å; G216-M218 VanDerWaalsContact C-N 3.3Å; M218-M225 HydrophobicContact CB-CE 4.09Å; M218-R229 HydrophobicContact CE-CG 4.44Å; M218-I232 HydrophobicContact CE-CD1 3.39Å; M218-I232 HydrophobicContact SD-CD1 3.82Å; M218-L254 HydrophobicContact CG-CB 4.12Å; M218-A255 HydrophobicContact SD-CB 4.07Å; M218-A258 HydrophobicContact CE-CB 3.72Å
219L81.3Confident77.4Confident80 Ų8066.3 Ų66.342%0.41933%0.332SS..  trans-67.3139.9178.8-58.3179.7000112D217 L408D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.16Å; L219-L408 HydrophobicContact CB-CD2 3.35Å; L219-L408 HydrophobicContact CD1-CD2 4.04Å; L219-L408 HydrophobicContact CG-CD2 4.35Å
220G83.6Confident79.4Confident17 Ų1770.7 Ų70.718%0.17535%0.353CS..  trans140.9138.6177.800000111.6R229 D404G220-R229 PolarHBondContact O-NH2 2.97Å; G220-D404 WeakPolarHBondContact CA-OD1 3.33Å; G220-D404 WeakPolarHBondContact CA-OD2 3.26Å
221Q84.4Confident81.2Confident176 Ų17666 Ų6682%0.82234%0.338SS*.  trans-111.1-2178.1-61.5-179.41600112.6D404Q221-D404 PolarHBondContact N-OD1 2.86Å
222S90.9Very high83Confident2 Ų265.3 Ų65.31%0.01433%0.334CS..SBendtrans-58.2148.5176.863.10000112.7Q224 M225 E226 R401 D404S222-Q224 PolarHBondContact O-N 3.15Å; S222-M225 PolarHBondContact O-N 3.41Å; S222-M225 WeakPolarHBondContact OG-CB 3.38Å; S222-M225 WeakPolarHBondContact OG-CG 3.34Å; S222-M225 PolarHBondContact OG-N 2.69Å; S222-E226 PolarHBondContact O-N 3.48Å; S222-R401 WeakPolarHBondContact OG-CB 3.35Å; S222-D404 WeakPolarHBondContact CB-OD2 3.43Å; S222-D404 PolarHBondContact N-OD1 2.99Å; S222-D404 PolarHBondContact OG-OD2 3.28Å
223P91Very high84.7Confident100 Ų10058.9 Ų58.965%0.64931%0.314SS*.Hα-helixtrans-53.6-34.8174.1-26.934.5000113.2E226 Q227P223-E226 PolarHBondContact O-N 3.42Å; P223-Q227 WeakPolarHBondContact O-CB 3.42Å; P223-Q227 PolarHBondContact O-N 2.96Å
224Q91.9Very high86.3Confident70 Ų7059.6 Ų59.633%0.32732%0.323SS..Hα-helixtrans-64.4-43.6177.2-61.285.5-21.900111.2S222 Q227 V228 P396 E400S222-Q224 PolarHBondContact O-N 3.15Å; Q224-Q227 PolarHBondContact O-N 3.15Å; Q224-V228 WeakPolarHBondContact O-CG2 3.5Å; Q224-V228 PolarHBondContact O-N 3.29Å; Q224-P396 HydrophobicContact CB-CB 4.37Å; Q224-P396 HydrophobicContact CB-CG 4.01Å; Q224-E400 PolarHBondContact NE2-O 3.5Å
225M92.7Very high87.6Confident9 Ų958.1 Ų58.14%0.04431%0.31CS..Hα-helixtrans-70.9-33.5176.2-77.6-55.5-58.300113.2M218 S222 V228 R229 P396 R401 D404M218-M225 HydrophobicContact CB-CE 4.09Å; S222-M225 PolarHBondContact O-N 3.41Å; S222-M225 WeakPolarHBondContact OG-CB 3.38Å; S222-M225 WeakPolarHBondContact OG-CG 3.34Å; S222-M225 PolarHBondContact OG-N 2.69Å; M225-V228 HydrophobicContact CE-CG1 4.45Å; M225-V228 PolarHBondContact O-N 3.36Å; M225-R229 WeakPolarHBondContact O-CG 3.37Å; M225-R229 PolarHBondContact O-N 3.08Å; M225-P396 HydrophobicContact SD-CG 4.47Å; M225-R401 PolarHBondContact SD-NH1 3.47Å; M225-D404 WeakPolarHBondContact CG-OD2 3.22Å
226E91Very high88.8Confident77 Ų7757 Ų5736%0.3630%0.304SS..Hα-helixtrans-61.2-46170.6-177.959-140.200110.9S222 P223 V228 R229 Q230S222-E226 PolarHBondContact O-N 3.48Å; P223-E226 PolarHBondContact O-N 3.42Å; E226-V228 VanDerWaalsContact C-N 3.33Å; E226-V228 PolarHBondContact O-N 2.9Å; E226-R229 PolarHBondContact O-N 3.41Å; E226-R229 VanDerWaalsContact O-N 3.15Å; E226-R229 IonicContact OE2-CZ 3.92Å; E226-R229 IonicContact OE2-NH1 3.56Å; E226-R229 PolarHBondContact OE2-NH1 3.32Å; E226-R229 IonicContact OE2-NH2 2.71Å; E226-Q230 WeakPolarHBondContact O-CG 3.43Å; E226-Q230 PolarHBondContact O-N 2.99Å; E226-Q230 PolarHBondContact OE1-NE2 3.41Å; E226-Q230 VanDerWaalsContact OE1-NE2 3.07Å
227Q93.4Very high90.1Very high127 Ų12762.4 Ų62.459%0.59331%0.306SS*.Hα-helixtrans-60.3-41.8175.9-176.3-179-20.400112P223 Q224 Q230 T231P223-Q227 WeakPolarHBondContact O-CB 3.42Å; P223-Q227 PolarHBondContact O-N 2.96Å; Q224-Q227 PolarHBondContact O-N 3.15Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-T231 WeakPolarHBondContact O-CB 3.31Å; Q227-T231 PolarHBondContact O-N 2.76Å; Q227-T231 PolarHBondContact O-OG1 2.84Å
228V94.9Very high90.8Very high7 Ų761.3 Ų61.34%0.04230%0.304CS..Hα-helixtrans-59.5-47.3173.7166.90000110.7Q224 M225 E226 Q230 T231 I232 L393 L395Q224-V228 WeakPolarHBondContact O-CG2 3.5Å; Q224-V228 PolarHBondContact O-N 3.29Å; M225-V228 HydrophobicContact CE-CG1 4.45Å; M225-V228 PolarHBondContact O-N 3.36Å; E226-V228 VanDerWaalsContact C-N 3.33Å; E226-V228 PolarHBondContact O-N 2.9Å; V228-Q230 PolarHBondContact O-N 2.87Å; V228-T231 PolarHBondContact O-N 2.74Å; V228-I232 HydrophobicContact CG1-CD1 3.84Å; V228-I232 WeakPolarHBondContact O-CG1 3.4Å; V228-I232 PolarHBondContact O-N 2.97Å; V228-L393 HydrophobicContact CG1-CD1 4.34Å; V228-L395 HydrophobicContact CG1-CD2 3.63Å; V228-L395 HydrophobicContact CG2-CD2 4.12Å
229R93.1Very high91.4Very high46 Ų4664.1 Ų64.117%0.17433%0.325CS..Hα-helixtrans-61.7-43.1178.9-74.7-171.3-98.4101.91.8111.8L215 M218 G220 M225 E226 I232 L233L215-R229 HydrophobicContact CD1-CB 4.47Å; L215-R229 HydrophobicContact CD1-CG 4.22Å; L215-R229 HydrophobicContact CG-CG 4.27Å; M218-R229 HydrophobicContact CE-CG 4.44Å; G220-R229 PolarHBondContact O-NH2 2.97Å; M225-R229 WeakPolarHBondContact O-CG 3.37Å; M225-R229 PolarHBondContact O-N 3.08Å; E226-R229 PolarHBondContact O-N 3.41Å; E226-R229 VanDerWaalsContact O-N 3.15Å; E226-R229 IonicContact OE2-CZ 3.92Å; E226-R229 IonicContact OE2-NH1 3.56Å; E226-R229 PolarHBondContact OE2-NH1 3.32Å; E226-R229 IonicContact OE2-NH2 2.71Å; R229-I232 PolarHBondContact O-N 3.01Å; R229-L233 WeakPolarHBondContact O-CG 3.37Å; R229-L233 PolarHBondContact O-N 3.15Å
230Q93.2Very high92.1Very high112 Ų11261.3 Ų61.352%0.52331%0.313SS..Hα-helixtrans-63.7-41.5175.4-69.3177.40.800112.4E226 Q227 V228 L233 L234E226-Q230 WeakPolarHBondContact O-CG 3.43Å; E226-Q230 PolarHBondContact O-N 2.99Å; E226-Q230 PolarHBondContact OE1-NE2 3.41Å; E226-Q230 VanDerWaalsContact OE1-NE2 3.07Å; Q227-Q230 PolarHBondContact O-N 3.44Å; V228-Q230 PolarHBondContact O-N 2.87Å; Q230-L233 PolarHBondContact O-N 3.11Å; Q230-L234 PolarHBondContact O-N 3.2Å
231T95Very high92.7Very high29 Ų2961.2 Ų61.218%0.17831%0.311CS..Hα-helixtrans-64.4-41.7177.4-55.70000111.2Q227 V228 L233 L234 Y235 L393Q227-T231 WeakPolarHBondContact O-CB 3.31Å; Q227-T231 PolarHBondContact O-N 2.76Å; Q227-T231 PolarHBondContact O-OG1 2.84Å; V228-T231 PolarHBondContact O-N 2.74Å; T231-L233 PolarHBondContact O-N 3.07Å; T231-L234 WeakPolarHBondContact O-CB 3.31Å; T231-L234 PolarHBondContact O-N 3.36Å; T231-L234 VanDerWaalsContact O-N 3.15Å; T231-Y235 HydrophobicContact CG2-CD1 4.24Å; T231-Y235 HydrophobicContact CG2-CD2 4.01Å; T231-Y235 HydrophobicContact CG2-CE1 3.78Å; T231-Y235 HydrophobicContact CG2-CE2 3.52Å; T231-Y235 HydrophobicContact CG2-CG 4.34Å; T231-Y235 PolarHBondContact O-N 3.24Å; T231-L393 HydrophobicContact CG2-CD1 3.74Å
232I94.1Very high93.3Very high0 Ų052.9 Ų52.90%027%0.272CS..Hα-helixtrans-60.4-45174.4-72.4171.4000111L215 M218 V228 R229 L234 Y235 A236 A255 A258 I259 L393L215-I232 HydrophobicContact CD1-CB 4.12Å; L215-I232 HydrophobicContact CD1-CD1 4.37Å; L215-I232 HydrophobicContact CD1-CG2 3.6Å; M218-I232 HydrophobicContact CE-CD1 3.39Å; M218-I232 HydrophobicContact SD-CD1 3.82Å; V228-I232 HydrophobicContact CG1-CD1 3.84Å; V228-I232 WeakPolarHBondContact O-CG1 3.4Å; V228-I232 PolarHBondContact O-N 2.97Å; R229-I232 PolarHBondContact O-N 3.01Å; I232-L234 VanDerWaalsContact C-N 3.26Å; I232-L234 PolarHBondContact O-N 3.47Å; I232-Y235 PolarHBondContact O-N 3.38Å; I232-A236 VanDerWaalsContact O-CB 3.28Å; I232-A236 WeakPolarHBondContact O-CB 3.28Å; I232-A236 PolarHBondContact O-N 3.33Å; I232-A255 HydrophobicContact CD1-CB 4.03Å; I232-A258 HydrophobicContact CG2-CB 4.19Å; I232-I259 HydrophobicContact CB-CG1 4.23Å; I232-I259 HydrophobicContact CG1-CD1 4.37Å; I232-I259 HydrophobicContact CG1-CG1 3.96Å; I232-I259 HydrophobicContact CG2-CG1 3.72Å; I232-L393 HydrophobicContact CD1-CD2 3.99Å; I232-L393 HydrophobicContact CG1-CD1 4.45Å; I232-L393 HydrophobicContact CG1-CD2 3.7Å
233L92.7Very high93.7Very high58 Ų5852.8 Ų52.830%0.30427%0.271SS..Hα-helixtrans-62.9-32.1176-69.1170.9000112.5L215 R229 Q230 T231 E262 R266L215-L233 HydrophobicContact CD2-CD1 4.27Å; L215-L233 HydrophobicContact CD2-CD2 3.91Å; L215-L233 HydrophobicContact CD2-CG 4.05Å; R229-L233 WeakPolarHBondContact O-CG 3.37Å; R229-L233 PolarHBondContact O-N 3.15Å; Q230-L233 PolarHBondContact O-N 3.11Å; T231-L233 PolarHBondContact O-N 3.07Å; L233-E262 HydrophobicContact CD2-CG 4.09Å; L233-E262 WeakPolarHBondContact CD2-OE2 3.41Å; L233-R266 VanDerWaalsContact O-CZ 3.31Å; L233-R266 PolarHBondContact O-NH1 3.39Å; L233-R266 PolarHBondContact O-NH2 3.36Å
234L93.8Very high94Very high100 Ų10048 Ų4852%0.52424%0.24SC..Hα-helixtrans-70.9-49.3173.7179.862.6000111.2Q230 T231 I232 A236 R237Q230-L234 PolarHBondContact O-N 3.2Å; T231-L234 WeakPolarHBondContact O-CB 3.31Å; T231-L234 PolarHBondContact O-N 3.36Å; T231-L234 VanDerWaalsContact O-N 3.15Å; I232-L234 VanDerWaalsContact C-N 3.26Å; I232-L234 PolarHBondContact O-N 3.47Å; L234-A236 PolarHBondContact O-N 3Å; L234-R237 VanDerWaalsContact O-CB 3.29Å; L234-R237 WeakPolarHBondContact O-CB 3.18Å; L234-R237 WeakPolarHBondContact O-CG 3.43Å; L234-R237 PolarHBondContact O-N 2.89Å
235Y95.7Very high94.3Very high38 Ų3846.6 Ų46.615%0.14923%0.234CC..Hα-helixtrans-67.8-25.5-178-67.9-1.5000112.8T231 I232 R237 S238 V242 R362 L391 R392 L393T231-Y235 HydrophobicContact CG2-CD1 4.24Å; T231-Y235 HydrophobicContact CG2-CD2 4.01Å; T231-Y235 HydrophobicContact CG2-CE1 3.78Å; T231-Y235 HydrophobicContact CG2-CE2 3.52Å; T231-Y235 HydrophobicContact CG2-CG 4.34Å; T231-Y235 PolarHBondContact O-N 3.24Å; I232-Y235 PolarHBondContact O-N 3.38Å; Y235-R237 PolarHBondContact O-N 2.93Å; Y235-R237 VanDerWaalsContact O-N 3.16Å; Y235-S238 PolarHBondContact O-N 3.41Å; Y235-V242 HydrophobicContact CD2-CG1 3.95Å; Y235-V242 HydrophobicContact CE2-CG1 4.42Å; Y235-R362 PolarHBondContact O-NH2 3.02Å; Y235-L391 HydrophobicContact CD1-CB 4.23Å; Y235-L391 HydrophobicContact CD1-CD1 4Å; Y235-L391 HydrophobicContact CD1-CD2 4.11Å; Y235-L391 HydrophobicContact CD1-CG 4.35Å; Y235-L391 HydrophobicContact CD2-CB 3.96Å; Y235-L391 HydrophobicContact CE1-CB 4.19Å; Y235-L391 HydrophobicContact CE1-CD2 4.03Å; Y235-L391 HydrophobicContact CE2-CB 3.92Å; Y235-L391 HydrophobicContact CG-CB 4.12Å; Y235-L391 HydrophobicContact CG-CD1 3.96Å; Y235-R392 VanDerWaalsContact CE2-O 3.31Å; Y235-R392 WeakPolarHBondContact CE2-O 3.42Å; Y235-R392 PolarHBondContact OH-O 3.18Å; Y235-L393 HydrophobicContact CD2-CB 4.44Å; Y235-L393 HydrophobicContact CE2-CB 4.02Å
236A91.4Very high94.4Very high0 Ų046.5 Ų46.50%024%0.235CC..THydrogen-bonded Turntrans-65.5-7.7170.700000114.1I232 L234 E262 Y263I232-A236 VanDerWaalsContact O-CB 3.28Å; I232-A236 WeakPolarHBondContact O-CB 3.28Å; I232-A236 PolarHBondContact O-N 3.33Å; L234-A236 PolarHBondContact O-N 3Å; A236-E262 HydrophobicContact CB-CB 3.42Å; A236-E262 VanDerWaalsContact CB-CB 3.42Å; A236-Y263 WeakPolarHBondContact O-CA 3.48Å; A236-Y263 VanDerWaalsContact O-CD2 3.31Å; A236-Y263 WeakPolarHBondContact O-CD2 3.4Å
237R91.4Very high94.6Very high175 Ų17545.9 Ų45.966%0.6623%0.232SC*.THydrogen-bonded Turntrans-85.3-9.9175.8-59.9176.367.4177.70.1114L234 Y235L234-R237 VanDerWaalsContact O-CB 3.29Å; L234-R237 WeakPolarHBondContact O-CB 3.18Å; L234-R237 WeakPolarHBondContact O-CG 3.43Å; L234-R237 PolarHBondContact O-N 2.89Å; Y235-R237 PolarHBondContact O-N 2.93Å; Y235-R237 VanDerWaalsContact O-N 3.16Å
238S92.5Very high94.5Very high50 Ų5042.8 Ų42.835%0.3522%0.222SC..  trans-128148-174.1-179.80000110.5Y235 A240 Y263 R362Y235-S238 PolarHBondContact O-N 3.41Å; S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 WeakPolarHBondContact OG-CB 3.39Å; S238-A240 PolarHBondContact OG-N 3.33Å; S238-A240 VanDerWaalsContact OG-N 3.14Å; S238-Y263 WeakPolarHBondContact O-CD2 3.13Å; S238-Y263 WeakPolarHBondContact O-CE2 3.39Å; S238-R362 PolarHBondContact O-NH2 3.34Å
239S91.9Very high94.4Very high73 Ų7343 Ų4351%0.5123%0.225SC..  trans-83.6-0.7171.459.10000113.2Y263S239-Y263 WeakPolarHBondContact CB-OH 3.33Å
240A95.1Very high94.4Very high21 Ų2141.3 Ų41.317%0.17422%0.22CC..SBendtrans-56.3151.818000000112.5S238 I390 L391S238-A240 VanDerWaalsContact C-N 3.26Å; S238-A240 WeakPolarHBondContact OG-CB 3.39Å; S238-A240 PolarHBondContact OG-N 3.33Å; S238-A240 VanDerWaalsContact OG-N 3.14Å; A240-I390 HydrophobicContact CB-CB 4.38Å; A240-I390 HydrophobicContact CB-CD1 4.5Å; A240-I390 HydrophobicContact CB-CG2 3.88Å; A240-L391 HydrophobicContact CB-CD1 3.95Å; A240-L391 HydrophobicContact CB-CG 4.12Å
241A96.3Very high94.4Very high16 Ų1637 Ų3713%0.13221%0.205CC..  trans-61.7135.3176.100000110.5V363 R387 I390 L391A241-V363 WeakPolarHBondContact CA-O 3.34Å; A241-R387 WeakPolarHBondContact CB-O 3.17Å; A241-I390 HydrophobicContact CB-CD1 4.26Å; A241-L391 PolarHBondContact O-N 2.9Å; A241-L391 VanDerWaalsContact O-N 3.09Å
242V98Very high94.3Very high0 Ų036.1 Ų36.10%020%0.2CC..EExtended strand (participates in β ladder)trans-114.9128.2178.8-173.50000109.1Y235 I244 I259 V363 I364 S365 L391Y235-V242 HydrophobicContact CD2-CG1 3.95Å; Y235-V242 HydrophobicContact CE2-CG1 4.42Å; V242-I244 HydrophobicContact CG1-CG1 4.25Å; V242-I259 HydrophobicContact CG1-CD1 4.04Å; V242-I259 HydrophobicContact CG2-CG2 4.46Å; V242-V363 PolarHBondContact N-O 3.36Å; V242-I364 HydrophobicContact CB-CG1 4.4Å; V242-I364 HydrophobicContact CB-CG2 4.33Å; V242-I364 CarbonylContact O-C 3.53Å; V242-I364 WeakPolarHBondContact O-CA 3.24Å; V242-S365 PolarHBondContact O-N 3.48Å; V242-L391 CarbonylContact C-O 3.49Å; V242-L391 VanDerWaalsContact CA-O 3.31Å; V242-L391 WeakPolarHBondContact CA-O 3.48Å; V242-L391 HydrophobicContact CB-CB 4.48Å; V242-L391 HydrophobicContact CG1-CB 4.42Å; V242-L391 HydrophobicContact CG2-CB 4.08Å; V242-L391 HydrophobicContact CG2-CD1 4.09Å
243L98Very high94.2Very high1 Ų138.8 Ų38.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-102.5121.9169-179.565.7000109.2E245 I328 S365 T367 L371 F385 L391 R392 L393L243-E245 HydrophobicContact CD2-CG 4.06Å; L243-E245 HydrophobicContact CG-CG 3.96Å; L243-I328 HydrophobicContact CD1-CG2 4.25Å; L243-S365 CarbonylContact C-O 3.46Å; L243-S365 WeakPolarHBondContact CA-O 3.39Å; L243-T367 HydrophobicContact CD1-CG2 4.25Å; L243-L371 HydrophobicContact CD1-CD1 4.32Å; L243-L371 HydrophobicContact CD2-CD1 4.04Å; L243-F385 HydrophobicContact CD2-CE2 4.18Å; L243-L391 PolarHBondContact N-O 3.31Å; L243-R392 CarbonylContact O-C 3.55Å; L243-R392 WeakPolarHBondContact O-CA 3.33Å; L243-L393 PolarHBondContact O-N 2.98Å
244I98.1Very high94.1Very high0 Ų038 Ų380%021%0.208CC..EExtended strand (participates in β ladder)trans-102.5115.7176.5-52.5178000108.5V242 K252 A255 A256 I259 I364 S365 A366 T367 L393 L395V242-I244 HydrophobicContact CG1-CG1 4.25Å; I244-K252 HydrophobicContact CG2-CB 4.13Å; I244-K252 HydrophobicContact CG2-CG 4.11Å; I244-A255 HydrophobicContact CD1-CB 4.08Å; I244-A256 HydrophobicContact CD1-CB 3.9Å; I244-I259 HydrophobicContact CD1-CD1 4.07Å; I244-I364 HydrophobicContact CD1-CG2 3.73Å; I244-I364 HydrophobicContact CG1-CG2 4.14Å; I244-S365 PolarHBondContact N-O 3.45Å; I244-A366 HydrophobicContact CB-CB 4.28Å; I244-A366 CarbonylContact O-C 3.44Å; I244-A366 VanDerWaalsContact O-CA 3.24Å; I244-A366 WeakPolarHBondContact O-CA 3.22Å; I244-T367 PolarHBondContact O-N 2.87Å; I244-L393 CarbonylContact C-O 3.58Å; I244-L393 WeakPolarHBondContact CA-O 3.27Å; I244-L393 HydrophobicContact CG1-CB 4.37Å; I244-L393 HydrophobicContact CG1-CD2 4.32Å; I244-L393 HydrophobicContact CG2-CD2 4.4Å; I244-L395 HydrophobicContact CG2-CD1 3.94Å; I244-L395 HydrophobicContact CG2-CG 3.95Å
245E97.1Very high94.1Very high40 Ų4033.3 Ų33.319%0.18718%0.183CC..EExtended strand (participates in β ladder)trans-108.2133.8-177.7-64.3179.196.900108.8L243 T367 L393 Q394 L395L243-E245 HydrophobicContact CD2-CG 4.06Å; L243-E245 HydrophobicContact CG-CG 3.96Å; E245-T367 HydrophobicContact CG-CG2 4.26Å; E245-L393 PolarHBondContact N-O 3.4Å; E245-Q394 CarbonylContact O-C 3.58Å; E245-Q394 WeakPolarHBondContact O-CA 3.43Å; E245-L395 PolarHBondContact O-N 3.41Å
246G95.5Very high94Very high7 Ų731.5 Ų31.57%0.07218%0.176CC..  trans170.8154.5177.900000112.9K252 T367 H368G246-K252 PolarHBondContact O-NZ 3.34Å; G246-T367 PolarHBondContact N-O 2.96Å; G246-H368 WeakPolarHBondContact O-CA 3.1Å
247E95.1Very high94.1Very high64 Ų6432 Ų3230%0.29918%0.179SC..  trans-58.1162.2178.3-69179.8-17100112.3G249 T250 R399 N447E247-G249 PolarHBondContact O-N 3.47Å; E247-T250 HydrophobicContact CB-CG2 4.02Å; E247-T250 WeakPolarHBondContact O-CG2 2.85Å; E247-T250 PolarHBondContact O-N 3.43Å; E247-T250 PolarHBondContact O-OG1 3.16Å; E247-R399 IonicContact OE1-CZ 3.82Å; E247-R399 IonicContact OE1-NH1 3.41Å; E247-R399 PolarHBondContact OE1-NH1 3.31Å; E247-R399 VanDerWaalsContact OE1-NH1 3.13Å; E247-R399 IonicContact OE1-NH2 3.11Å; E247-R399 PolarHBondContact OE1-NH2 2.9Å; E247-R399 IonicContact OE2-CZ 3.94Å; E247-R399 IonicContact OE2-NH1 3.81Å; E247-R399 PolarHBondContact OE2-NH1 3.35Å; E247-R399 IonicContact OE2-NH2 3.96Å; E247-N447 VanDerWaalsContact CB-ND2 3.27Å; E247-N447 WeakPolarHBondContact CB-ND2 3.43Å; E247-N447 PolarHBondContact OE2-ND2 2.85Å
248T92Very high94Very high61 Ų6123.7 Ų23.737%0.37415%0.147SC..THydrogen-bonded Turntrans-57.2138.5174.1-176.40000110.9T250 N447T248-T250 VanDerWaalsContact C-N 3.34Å; T248-T250 PolarHBondContact O-N 3.36Å; T248-N447 PolarHBondContact O-ND2 3.43Å
249G92.5Very high94Very high11 Ų1121.3 Ų21.311%0.11313%0.131CC..THydrogen-bonded Turntrans77.16.817800000116.5E247 G251 I448 R449E247-G249 PolarHBondContact O-N 3.47Å; G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.79Å; G249-I448 VanDerWaalsContact O-CB 3.22Å; G249-I448 WeakPolarHBondContact O-CB 3.38Å; G249-I448 WeakPolarHBondContact O-CG1 3.46Å; G249-I448 PolarHBondContact O-N 3.46Å; G249-R449 PolarHBondContact O-N 3.28Å
250T93.2Very high94.1Very high11 Ų1118.2 Ų18.27%0.06711%0.108CC..SBendtrans-76-13.5176.551.10000114.8E247 T248 N447 I448E247-T250 HydrophobicContact CB-CG2 4.02Å; E247-T250 WeakPolarHBondContact O-CG2 2.85Å; E247-T250 PolarHBondContact O-N 3.43Å; E247-T250 PolarHBondContact O-OG1 3.16Å; T248-T250 VanDerWaalsContact C-N 3.34Å; T248-T250 PolarHBondContact O-N 3.36Å; T250-N447 HydrophobicContact CG2-CB 4.03Å; T250-I448 VanDerWaalsContact O-CD1 3.29Å; T250-I448 WeakPolarHBondContact O-CD1 3.29Å
251G92.5Very high93.8Very high21 Ų2120.5 Ų20.522%0.21611%0.112CC..  trans9830.5178.800000115.5G249 E253 L254 A255G249-G251 VanDerWaalsContact C-N 3.33Å; G249-G251 PolarHBondContact O-N 2.79Å; G251-E253 VanDerWaalsContact C-N 3.31Å; G251-E253 PolarHBondContact O-N 2.81Å; G251-L254 WeakPolarHBondContact O-CB 3.49Å; G251-L254 PolarHBondContact O-N 2.97Å; G251-A255 PolarHBondContact O-N 3.16Å; G251-A255 VanDerWaalsContact O-N 3.15Å
252K94.1Very high93.4Very high12 Ų1221.7 Ų21.75%0.05212%0.115CC..Hα-helixtrans-50-44.9178.6-57.1-170.9-62-105.60114I244 G246 L254 A255 A256 E327 A366 L395I244-K252 HydrophobicContact CG2-CB 4.13Å; I244-K252 HydrophobicContact CG2-CG 4.11Å; G246-K252 PolarHBondContact O-NZ 3.34Å; K252-L254 PolarHBondContact O-N 2.92Å; K252-A255 PolarHBondContact O-N 3.34Å; K252-A256 PolarHBondContact O-N 3.07Å; K252-E327 IonicContact NZ-OE1 3.5Å; K252-E327 PolarHBondContact NZ-OE1 2.71Å; K252-E327 IonicContact NZ-OE2 3.61Å; K252-A366 HydrophobicContact CB-CB 3.85Å; K252-A366 HydrophobicContact CD-CB 3.89Å; K252-A366 HydrophobicContact CG-CB 4.43Å; K252-L395 HydrophobicContact CB-CD1 4.42Å; K252-L395 HydrophobicContact CG-CD1 4.01Å
253E91.4Very high93Very high55 Ų5523.5 Ų23.526%0.25712%0.122SC..Hα-helixtrans-60.4-40.5175.3176.367.9-141.300112.6G251 A255 A256 Q257 F278 F324G251-E253 VanDerWaalsContact C-N 3.31Å; G251-E253 PolarHBondContact O-N 2.81Å; E253-A255 VanDerWaalsContact C-N 3.35Å; E253-A256 PolarHBondContact O-N 2.94Å; E253-Q257 WeakPolarHBondContact O-CG 2.97Å; E253-Q257 PolarHBondContact O-N 3.37Å; E253-Q257 PolarHBondContact OE1-NE2 3.41Å; E253-F278 WeakPolarHBondContact OE1-CE1 3.36Å; E253-F278 WeakPolarHBondContact OE1-CZ 3.4Å; E253-F324 HydrophobicContact CB-CE1 4.27Å; E253-F324 WeakPolarHBondContact OE2-CD1 3.46Å; E253-F324 WeakPolarHBondContact OE2-CE1 3.38Å
254L90.5Very high92.5Very high43 Ų4324.6 Ų24.623%0.22513%0.127CC..Hα-helixtrans-63.2-44.3177.8-61.5177.4000110.8Y213 M218 G251 K252 Q257 A258Y213-L254 HydrophobicContact CD1-CD2 3.53Å; Y213-L254 HydrophobicContact CD2-CD2 3.17Å; Y213-L254 HydrophobicContact CE1-CD2 3.84Å; Y213-L254 HydrophobicContact CE2-CD2 3.5Å; Y213-L254 HydrophobicContact CG-CD2 3.17Å; M218-L254 HydrophobicContact CG-CB 4.12Å; G251-L254 WeakPolarHBondContact O-CB 3.49Å; G251-L254 PolarHBondContact O-N 2.97Å; K252-L254 PolarHBondContact O-N 2.92Å; L254-Q257 PolarHBondContact O-N 3.15Å; L254-A258 WeakPolarHBondContact O-CB 3.36Å; L254-A258 PolarHBondContact O-N 2.91Å
255A93.8Very high91.8Very high0 Ų027.9 Ų27.90%015%0.154CC..Hα-helixtrans-62.5-42.8176.400000111.5M218 I232 I244 G251 K252 E253 Q257 A258 I259 L393 L395M218-A255 HydrophobicContact SD-CB 4.07Å; I232-A255 HydrophobicContact CD1-CB 4.03Å; I244-A255 HydrophobicContact CD1-CB 4.08Å; G251-A255 PolarHBondContact O-N 3.16Å; G251-A255 VanDerWaalsContact O-N 3.15Å; K252-A255 PolarHBondContact O-N 3.34Å; E253-A255 VanDerWaalsContact C-N 3.35Å; A255-Q257 PolarHBondContact O-N 2.81Å; A255-A258 PolarHBondContact O-N 2.61Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.46Å; A255-I259 PolarHBondContact O-N 3Å; A255-L393 HydrophobicContact CB-CD2 4.05Å; A255-L395 HydrophobicContact CB-CD1 4.23Å; A255-L395 HydrophobicContact CB-CD2 4.34Å
256A94.5Very high91Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-60.4-46176.600000112.5I244 K252 E253 A258 I259 H260 F278 F324 I364I244-A256 HydrophobicContact CD1-CB 3.9Å; K252-A256 PolarHBondContact O-N 3.07Å; E253-A256 PolarHBondContact O-N 2.94Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 2.74Å; A256-I259 PolarHBondContact O-N 2.96Å; A256-H260 PolarHBondContact O-N 3.38Å; A256-F278 HydrophobicContact CB-CE2 4.28Å; A256-F278 HydrophobicContact CB-CZ 4.17Å; A256-F324 HydrophobicContact CB-CD1 4.5Å; A256-F324 HydrophobicContact CB-CD2 3.4Å; A256-F324 VanDerWaalsContact CB-CD2 3.4Å; A256-F324 HydrophobicContact CB-CE2 3.49Å; A256-F324 VanDerWaalsContact CB-CE2 3.49Å; A256-F324 HydrophobicContact CB-CG 3.95Å; A256-F324 HydrophobicContact CB-CZ 4.09Å; A256-I364 HydrophobicContact CB-CG2 3.87Å
257Q91.6Very high90.1Very high12 Ų1234.8 Ų34.86%0.05618%0.18CC..Hα-helixtrans-64.9-38.2176.8-69-170.525.600112.4T211 E253 L254 A255 H260 R261 F278T211-Q257 HydrophobicContact CG2-CB 3.8Å; T211-Q257 HydrophobicContact CG2-CG 3.97Å; E253-Q257 WeakPolarHBondContact O-CG 2.97Å; E253-Q257 PolarHBondContact O-N 3.37Å; E253-Q257 PolarHBondContact OE1-NE2 3.41Å; L254-Q257 PolarHBondContact O-N 3.15Å; A255-Q257 PolarHBondContact O-N 2.81Å; Q257-H260 PolarHBondContact O-N 2.99Å; Q257-R261 PolarHBondContact O-N 3.05Å; Q257-F278 HydrophobicContact CG-CD1 4.1Å; Q257-F278 HydrophobicContact CG-CE1 3.56Å; Q257-F278 HydrophobicContact CG-CE2 4.11Å; Q257-F278 HydrophobicContact CG-CZ 3.55Å
258A90.5Very high88.9Confident0 Ų033.8 Ų33.80%018%0.177CC..Hα-helixtrans-63.2-45.7175.200000111.7L215 M218 I232 L254 A255 A256 H260 R261 E262L215-A258 HydrophobicContact CB-CB 4.48Å; L215-A258 HydrophobicContact CD1-CB 4.01Å; M218-A258 HydrophobicContact CE-CB 3.72Å; I232-A258 HydrophobicContact CG2-CB 4.19Å; L254-A258 WeakPolarHBondContact O-CB 3.36Å; L254-A258 PolarHBondContact O-N 2.91Å; A255-A258 PolarHBondContact O-N 2.61Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-A258 PolarHBondContact O-N 2.74Å; A258-H260 VanDerWaalsContact C-N 3.34Å; A258-H260 PolarHBondContact O-N 2.83Å; A258-R261 PolarHBondContact O-N 2.72Å; A258-E262 WeakPolarHBondContact O-CB 3.38Å; A258-E262 WeakPolarHBondContact O-CG 3.32Å; A258-E262 PolarHBondContact O-N 2.98Å
259I93.1Very high87Confident0 Ų035.2 Ų35.20%020%0.195CC..Hα-helixtrans-58.9-44.9175.7-67.3161.2000111.2I232 V242 I244 A255 A256 Y263 I364 L393I232-I259 HydrophobicContact CB-CG1 4.23Å; I232-I259 HydrophobicContact CG1-CD1 4.37Å; I232-I259 HydrophobicContact CG1-CG1 3.96Å; I232-I259 HydrophobicContact CG2-CG1 3.72Å; V242-I259 HydrophobicContact CG1-CD1 4.04Å; V242-I259 HydrophobicContact CG2-CG2 4.46Å; I244-I259 HydrophobicContact CD1-CD1 4.07Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.46Å; A255-I259 PolarHBondContact O-N 3Å; A256-I259 PolarHBondContact O-N 2.96Å; I259-Y263 VanDerWaalsContact O-CB 3.29Å; I259-Y263 WeakPolarHBondContact O-CB 2.97Å; I259-Y263 PolarHBondContact O-N 2.91Å; I259-Y263 VanDerWaalsContact O-N 3.08Å; I259-I364 HydrophobicContact CB-CD1 3.94Å; I259-I364 HydrophobicContact CG2-CD1 3.69Å; I259-L393 HydrophobicContact CD1-CD2 4.15Å
260H92.7Very high84.7Confident7 Ų746.4 Ų46.43%0.03223%0.233CC..Hα-helixtrans-59.8-52.317716995.8000111.4T211 A256 Q257 A258 E262 Y263 F264 P277 F278 T322T211-H260 HydrophobicContact CG2-CB 4.15Å; T211-H260 WeakPolarHBondContact CG2-CD2 3.34Å; A256-H260 PolarHBondContact O-N 3.38Å; Q257-H260 PolarHBondContact O-N 2.99Å; A258-H260 VanDerWaalsContact C-N 3.34Å; A258-H260 PolarHBondContact O-N 2.83Å; H260-E262 PolarHBondContact O-N 2.93Å; H260-Y263 PolarHBondContact O-N 2.85Å; H260-F264 AromaticContact CE1-CD2 3.35Å; H260-F264 WeakPolarHBondContact CE1-CD2 3.49Å; H260-F264 AromaticContact CE1-CE2 3.29Å; H260-F264 WeakPolarHBondContact CE1-CE2 3.47Å; H260-F264 AromaticContact CG-CD2 3.98Å; H260-F264 AromaticContact ND1-CD2 3.53Å; H260-F264 AromaticContact ND1-CE2 3.32Å; H260-F264 VanDerWaalsContact ND1-CE2 3.32Å; H260-F264 WeakPolarHBondContact ND1-CE2 3.34Å; H260-F264 AromaticContact NE2-CD2 3.69Å; H260-F264 VanDerWaalsContact O-CD2 3.31Å; H260-F264 WeakPolarHBondContact O-CD2 3.33Å; H260-F264 PolarHBondContact O-N 3.3Å; H260-F264 VanDerWaalsContact O-N 3.14Å; H260-P277 PolarHBondContact CE1-O 3.05Å; H260-F278 HydrophobicContact CB-CD2 3.73Å; H260-F278 HydrophobicContact CB-CE2 4.21Å; H260-F278 AromaticContact CG-CD2 3.73Å; H260-F278 AromaticContact ND1-CD2 3.86Å; H260-T322 VanDerWaalsContact ND1-CB 3.3Å; H260-T322 WeakPolarHBondContact ND1-CB 3.37Å; H260-T322 PolarHBondContact ND1-OG1 2.9Å
261R88.6Confident82.3Confident69 Ų6951.8 Ų51.826%0.2626%0.258SS..Hα-helixtrans-59.7-49-178.5-79.9-170.7171.6170.7-6.3111.6T211 R212 Y213 Q257 A258 Y263 F264 A265T211-R261 HydrophobicContact CG2-CG 3.94Å; T211-R261 PolarHBondContact O-NH2 3.03Å; T211-R261 WeakPolarHBondContact OG1-CD 3.45Å; T211-R261 WeakPolarHBondContact OG1-CG 3.35Å; T211-R261 PolarHBondContact OG1-NE 3.49Å; R212-R261 PolarHBondContact O-NH1 2.76Å; R212-R261 VanDerWaalsContact O-NH1 3.17Å; R212-R261 PolarHBondContact O-NH2 2.85Å; Y213-R261 VanDerWaalsContact O-CD 3.25Å; Y213-R261 WeakPolarHBondContact O-CD 3.44Å; Y213-R261 PolarHBondContact O-NE 2.85Å; Y213-R261 PolarHBondContact O-NH1 3.27Å; Q257-R261 PolarHBondContact O-N 3.05Å; A258-R261 PolarHBondContact O-N 2.72Å; R261-Y263 VanDerWaalsContact C-N 3.27Å; R261-Y263 PolarHBondContact O-N 3.18Å; R261-F264 PolarHBondContact O-N 3.16Å; R261-A265 WeakPolarHBondContact O-CB 3.24Å; R261-A265 PolarHBondContact O-N 3.06Å
262E88.7Confident80Confident42 Ų4254.3 Ų54.320%0.19628%0.284CS..Hα-helixtrans-63.3-33.9-178.5-74-61.7139.900112.5L233 A236 A258 H260 R266L233-E262 HydrophobicContact CD2-CG 4.09Å; L233-E262 WeakPolarHBondContact CD2-OE2 3.41Å; A236-E262 HydrophobicContact CB-CB 3.42Å; A236-E262 VanDerWaalsContact CB-CB 3.42Å; A258-E262 WeakPolarHBondContact O-CB 3.38Å; A258-E262 WeakPolarHBondContact O-CG 3.32Å; A258-E262 PolarHBondContact O-N 2.98Å; H260-E262 PolarHBondContact O-N 2.93Å; E262-R266 VanDerWaalsContact O-CD 3.27Å; E262-R266 WeakPolarHBondContact O-CD 3.34Å; E262-R266 WeakPolarHBondContact O-CG 3.5Å; E262-R266 PolarHBondContact O-N 2.96Å; E262-R266 IonicContact OE2-NE 3.93Å; E262-R266 IonicContact OE2-NH2 3.66Å
263Y90.1Very high77.8Confident37 Ų3764.2 Ų64.215%0.14533%0.327CS..Hα-helixtrans-69.2-52.4177.6172.3-92.4000112.6A236 S238 S239 I259 H260 R261 A265 R266 H267A236-Y263 WeakPolarHBondContact O-CA 3.48Å; A236-Y263 VanDerWaalsContact O-CD2 3.31Å; A236-Y263 WeakPolarHBondContact O-CD2 3.4Å; S238-Y263 WeakPolarHBondContact O-CD2 3.13Å; S238-Y263 WeakPolarHBondContact O-CE2 3.39Å; S239-Y263 WeakPolarHBondContact CB-OH 3.33Å; I259-Y263 VanDerWaalsContact O-CB 3.29Å; I259-Y263 WeakPolarHBondContact O-CB 2.97Å; I259-Y263 PolarHBondContact O-N 2.91Å; I259-Y263 VanDerWaalsContact O-N 3.08Å; H260-Y263 PolarHBondContact O-N 2.85Å; R261-Y263 VanDerWaalsContact C-N 3.27Å; R261-Y263 PolarHBondContact O-N 3.18Å; Y263-A265 VanDerWaalsContact C-N 3.33Å; Y263-A265 PolarHBondContact O-N 2.78Å; Y263-R266 PolarHBondContact O-N 2.95Å; Y263-R266 VanDerWaalsContact O-N 3.15Å; Y263-H267 AromaticContact CD2-CD2 3.52Å; Y263-H267 AromaticContact CD2-NE2 3.74Å; Y263-H267 AromaticContact CE1-CD2 3.99Å; Y263-H267 AromaticContact CE2-CD2 3.24Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.28Å; Y263-H267 AromaticContact CE2-NE2 3.42Å; Y263-H267 WeakPolarHBondContact CE2-NE2 3.48Å; Y263-H267 AromaticContact CG-CD2 3.99Å; Y263-H267 AromaticContact CZ-CD2 3.48Å; Y263-H267 VanDerWaalsContact CZ-CD2 3.48Å; Y263-H267 PolarHBondContact O-CD2 2.52Å; Y263-H267 PolarHBondContact O-N 3.05Å; Y263-H267 VanDerWaalsContact O-N 3.15Å
264F87.1Confident76Confident25 Ų2567.8 Ų67.811%0.1134%0.342CS..Hα-helixtrans-70.5-30.5-179.3-72.2-68.6000112.1H260 R261 R266 H267 D268 H276H260-F264 AromaticContact CE1-CD2 3.35Å; H260-F264 WeakPolarHBondContact CE1-CD2 3.49Å; H260-F264 AromaticContact CE1-CE2 3.29Å; H260-F264 WeakPolarHBondContact CE1-CE2 3.47Å; H260-F264 AromaticContact CG-CD2 3.98Å; H260-F264 AromaticContact ND1-CD2 3.53Å; H260-F264 AromaticContact ND1-CE2 3.32Å; H260-F264 VanDerWaalsContact ND1-CE2 3.32Å; H260-F264 WeakPolarHBondContact ND1-CE2 3.34Å; H260-F264 AromaticContact NE2-CD2 3.69Å; H260-F264 VanDerWaalsContact O-CD2 3.31Å; H260-F264 WeakPolarHBondContact O-CD2 3.33Å; H260-F264 PolarHBondContact O-N 3.3Å; H260-F264 VanDerWaalsContact O-N 3.14Å; R261-F264 PolarHBondContact O-N 3.16Å; F264-R266 PolarHBondContact O-N 2.99Å; F264-H267 PolarHBondContact O-N 3.34Å; F264-D268 WeakPolarHBondContact CD1-OD2 3.48Å; F264-D268 WeakPolarHBondContact O-CB 3.31Å; F264-D268 PolarHBondContact O-N 3.06Å; F264-H276 HydrophobicContact CD1-CB 3.79Å; F264-H276 AromaticContact CD1-CD2 3.42Å; F264-H276 VanDerWaalsContact CD1-CD2 3.42Å; F264-H276 WeakPolarHBondContact CD1-CD2 3.27Å; F264-H276 AromaticContact CD1-CE1 3.71Å; F264-H276 AromaticContact CD1-CG 3.2Å; F264-H276 AromaticContact CD1-ND1 3.41Å; F264-H276 WeakPolarHBondContact CD1-ND1 3.42Å; F264-H276 AromaticContact CD1-NE2 3.81Å; F264-H276 HydrophobicContact CD2-CB 3.77Å; F264-H276 HydrophobicContact CE1-CB 3.82Å; F264-H276 AromaticContact CE1-CE1 3.8Å; F264-H276 AromaticContact CE1-CG 3.39Å; F264-H276 AromaticContact CE1-ND1 3.22Å; F264-H276 WeakPolarHBondContact CE1-ND1 3.47Å; F264-H276 HydrophobicContact CE2-CB 3.83Å; F264-H276 HydrophobicContact CG-CB 3.77Å; F264-H276 AromaticContact CG-CD2 3.74Å; F264-H276 AromaticContact CG-CG 3.61Å; F264-H276 HydrophobicContact CZ-CB 3.85Å; F264-H276 AromaticContact CZ-CG 3.95Å; F264-H276 AromaticContact CZ-ND1 3.97Å
265A83.5Confident75Confident69 Ų6967.2 Ų67.257%0.5734%0.342SS*.Hα-helixtrans-58.9-31.6171.600000112.8R261 Y263R261-A265 WeakPolarHBondContact O-CB 3.24Å; R261-A265 PolarHBondContact O-N 3.06Å; Y263-A265 VanDerWaalsContact C-N 3.33Å; Y263-A265 PolarHBondContact O-N 2.78Å
266R80.1Confident74.4Confident95 Ų9568.9 Ų68.936%0.35835%0.35SS..Hα-helixtrans-87.2-34.5-178.3-69.4169.6-171.6-1553.4113.7L233 E262 Y263 F264L233-R266 VanDerWaalsContact O-CZ 3.31Å; L233-R266 PolarHBondContact O-NH1 3.39Å; L233-R266 PolarHBondContact O-NH2 3.36Å; E262-R266 VanDerWaalsContact O-CD 3.27Å; E262-R266 WeakPolarHBondContact O-CD 3.34Å; E262-R266 WeakPolarHBondContact O-CG 3.5Å; E262-R266 PolarHBondContact O-N 2.96Å; E262-R266 IonicContact OE2-NE 3.93Å; E262-R266 IonicContact OE2-NH2 3.66Å; Y263-R266 PolarHBondContact O-N 2.95Å; Y263-R266 VanDerWaalsContact O-N 3.15Å; F264-R266 PolarHBondContact O-N 2.99Å
267H76.5Confident74.1Confident96 Ų9669.8 Ų69.844%0.44436%0.355SS..Hα-helixtrans-91.5-27-174.6-68.5-48.8000113.6Y263 F264Y263-H267 AromaticContact CD2-CD2 3.52Å; Y263-H267 AromaticContact CD2-NE2 3.74Å; Y263-H267 AromaticContact CE1-CD2 3.99Å; Y263-H267 AromaticContact CE2-CD2 3.24Å; Y263-H267 WeakPolarHBondContact CE2-CD2 3.28Å; Y263-H267 AromaticContact CE2-NE2 3.42Å; Y263-H267 WeakPolarHBondContact CE2-NE2 3.48Å; Y263-H267 AromaticContact CG-CD2 3.99Å; Y263-H267 AromaticContact CZ-CD2 3.48Å; Y263-H267 VanDerWaalsContact CZ-CD2 3.48Å; Y263-H267 PolarHBondContact O-CD2 2.52Å; Y263-H267 PolarHBondContact O-N 3.05Å; Y263-H267 VanDerWaalsContact O-N 3.15Å; F264-H267 PolarHBondContact O-N 3.34Å
268D69Low73.9Confident44 Ų4469.6 Ų69.624%0.23535%0.354CS..  trans-97.816.7-177.5-72.6-68.6000115.5F264 R270 Q271 H276F264-D268 WeakPolarHBondContact CD1-OD2 3.48Å; F264-D268 WeakPolarHBondContact O-CB 3.31Å; F264-D268 PolarHBondContact O-N 3.06Å; D268-R270 PolarHBondContact O-N 2.76Å; D268-Q271 PolarHBondContact O-N 2.54Å; D268-H276 IonicContact OD1-CE1 2.97Å; D268-H276 IonicContact OD1-NE2 2.71Å; D268-H276 IonicContact OD2-CD2 3.84Å; D268-H276 IonicContact OD2-CE1 3.02Å; D268-H276 PolarHBondContact OD2-CE1 3.44Å; D268-H276 VanDerWaalsContact OD2-CE1 3.29Å; D268-H276 IonicContact OD2-NE2 2.75Å; D268-H276 PolarHBondContact OD2-NE2 3.19Å
269A52.4Low73.9Confident91 Ų9169.8 Ų69.875%0.75236%0.356SS*.THydrogen-bonded Turntrans-58-14.3174.300000114.2
270R44.2Very low73.7Confident245 Ų24572.2 Ų72.293%0.92538%0.376SS*.THydrogen-bonded Turntrans-104.3-13.4-177.9-65.8-175.7-165.8166.65.1115.5D268D268-R270 PolarHBondContact O-N 2.76Å
271Q42.5Very low73.5Confident124 Ų12472.5 Ų72.558%0.57938%0.378SS*.SBendtrans-121117.6-178.5-63.1-162.125.500108.9D268 K273D268-Q271 PolarHBondContact O-N 2.54Å; Q271-K273 PolarHBondContact O-N 3.1Å
272G44.9Very low73.5Confident75 Ų7571.7 Ų71.777%0.77338%0.379SS*.THydrogen-bonded Turntrans-40.7122.6-174.100000113.3K274G272-K274 PolarHBondContact O-N 2.73Å
273K48Very low73.5Confident220 Ų22069.9 Ų69.996%0.95737%0.37SS*.THydrogen-bonded Turntrans-1176.3-177.3-68.3-179.4178.7177.30115.7Q271Q271-K273 PolarHBondContact O-N 3.1Å
274K54.6Low73.1Confident129 Ų12970.3 Ų70.356%0.56139%0.386SS*.PPolyproline II helixtrans-86.1126.3161.4-74.4-178.2-177.7172.80107.5G272 H276G272-K274 PolarHBondContact O-N 2.73Å; K274-H276 PolarHBondContact O-CD2 2.93Å; K274-H276 VanDerWaalsContact O-CD2 3.24Å; K274-H276 PolarHBondContact O-N 3.42Å; K274-H276 PolarHBondContact O-NE2 2.84Å
275S69.1Low72.8Confident32 Ų3273 Ų7322%0.22441%0.413CS..PPolyproline II helixtrans-78117.2173.4-174.90000108R210R210-S275 VanDerWaalsContact CG-OG 3.24Å; R210-S275 WeakPolarHBondContact CG-OG 3.32Å; R210-S275 PolarHBondContact NE-OG 3.23Å
276H81.4Confident72.6Confident35 Ų3572.6 Ų72.616%0.16240%0.4CS..PPolyproline II helixtrans-77.7143.7176.7-65.3-95000110.3F264 D268 K274 G320F264-H276 HydrophobicContact CD1-CB 3.79Å; F264-H276 AromaticContact CD1-CD2 3.42Å; F264-H276 VanDerWaalsContact CD1-CD2 3.42Å; F264-H276 WeakPolarHBondContact CD1-CD2 3.27Å; F264-H276 AromaticContact CD1-CE1 3.71Å; F264-H276 AromaticContact CD1-CG 3.2Å; F264-H276 AromaticContact CD1-ND1 3.41Å; F264-H276 WeakPolarHBondContact CD1-ND1 3.42Å; F264-H276 AromaticContact CD1-NE2 3.81Å; F264-H276 HydrophobicContact CD2-CB 3.77Å; F264-H276 HydrophobicContact CE1-CB 3.82Å; F264-H276 AromaticContact CE1-CE1 3.8Å; F264-H276 AromaticContact CE1-CG 3.39Å; F264-H276 AromaticContact CE1-ND1 3.22Å; F264-H276 WeakPolarHBondContact CE1-ND1 3.47Å; F264-H276 HydrophobicContact CE2-CB 3.83Å; F264-H276 HydrophobicContact CG-CB 3.77Å; F264-H276 AromaticContact CG-CD2 3.74Å; F264-H276 AromaticContact CG-CG 3.61Å; F264-H276 HydrophobicContact CZ-CB 3.85Å; F264-H276 AromaticContact CZ-CG 3.95Å; F264-H276 AromaticContact CZ-ND1 3.97Å; D268-H276 IonicContact OD1-CE1 2.97Å; D268-H276 IonicContact OD1-NE2 2.71Å; D268-H276 IonicContact OD2-CD2 3.84Å; D268-H276 IonicContact OD2-CE1 3.02Å; D268-H276 PolarHBondContact OD2-CE1 3.44Å; D268-H276 VanDerWaalsContact OD2-CE1 3.29Å; D268-H276 IonicContact OD2-NE2 2.75Å; D268-H276 PolarHBondContact OD2-NE2 3.19Å; K274-H276 PolarHBondContact O-CD2 2.93Å; K274-H276 VanDerWaalsContact O-CD2 3.24Å; K274-H276 PolarHBondContact O-N 3.42Å; K274-H276 PolarHBondContact O-NE2 2.84Å; H276-G320 PolarHBondContact ND1-O 3.27Å
277P87.4Confident72.6Confident18 Ų1871 Ų7112%0.11741%0.407CS..PPolyproline II helixtrans-73.1136.8-179.426.1-29.5000111.4L209 H260 G321 T322L209-P277 HydrophobicContact CB-CB 3.74Å; L209-P277 HydrophobicContact CD1-CB 3.46Å; L209-P277 VanDerWaalsContact CD1-CB 3.46Å; L209-P277 HydrophobicContact CG-CB 4.17Å; L209-P277 CarbonylContact O-C 3.53Å; H260-P277 PolarHBondContact CE1-O 3.05Å; P277-G321 CarbonylContact O-C 3.57Å; P277-G321 VanDerWaalsContact O-CA 3.24Å; P277-G321 WeakPolarHBondContact O-CA 3.46Å; P277-T322 PolarHBondContact O-N 3.05Å
278F88.3Confident73Confident8 Ų870.4 Ų70.44%0.03541%0.405CS..EExtended strand (participates in β ladder)trans-116.1107.4165.4178.5-89.8000107.7L209 T211 E253 A256 Q257 H260 A280 T322 F324L209-F278 WeakPolarHBondContact CA-O 3.41Å; L209-F278 WeakPolarHBondContact CD2-O 3.03Å; L209-F278 PolarHBondContact O-N 3.32Å; T211-F278 HydrophobicContact CG2-CB 3.81Å; T211-F278 HydrophobicContact CG2-CD1 4.31Å; T211-F278 HydrophobicContact CG2-CD2 4.04Å; T211-F278 HydrophobicContact CG2-CG 3.78Å; E253-F278 WeakPolarHBondContact OE1-CE1 3.36Å; E253-F278 WeakPolarHBondContact OE1-CZ 3.4Å; A256-F278 HydrophobicContact CB-CE2 4.28Å; A256-F278 HydrophobicContact CB-CZ 4.17Å; Q257-F278 HydrophobicContact CG-CD1 4.1Å; Q257-F278 HydrophobicContact CG-CE1 3.56Å; Q257-F278 HydrophobicContact CG-CE2 4.11Å; Q257-F278 HydrophobicContact CG-CZ 3.55Å; H260-F278 HydrophobicContact CB-CD2 3.73Å; H260-F278 HydrophobicContact CB-CE2 4.21Å; H260-F278 AromaticContact CG-CD2 3.73Å; H260-F278 AromaticContact ND1-CD2 3.86Å; F278-A280 HydrophobicContact CE1-CB 3.9Å; F278-T322 WeakPolarHBondContact CA-O 3.42Å; F278-T322 HydrophobicContact CD2-CG2 4.24Å; F278-T322 HydrophobicContact CE2-CG2 4.39Å; F278-F324 HydrophobicContact CE1-CB 4.24Å; F278-F324 HydrophobicContact CE2-CB 3.85Å; F278-F324 HydrophobicContact CZ-CB 3.5Å; F278-F324 VanDerWaalsContact CZ-CB 3.5Å; F278-F324 HydrophobicContact CZ-CD1 4.25Å; F278-F324 AromaticContact CZ-CG 3.94Å; F278-F324 HydrophobicContact CZ-CG 3.94Å
279V89.7Confident73.6Confident5 Ų572.3 Ų72.33%0.0342%0.422CS..EExtended strand (participates in β ladder)trans-104119.2-179.2-173.60000108L209 L314 I317 A318 T322 L323 F324L209-V279 HydrophobicContact CD1-CG2 4.15Å; L209-V279 HydrophobicContact CD2-CB 4.06Å; L209-V279 HydrophobicContact CD2-CG1 4.37Å; L209-V279 HydrophobicContact CD2-CG2 3.45Å; L209-V279 VanDerWaalsContact CD2-CG2 3.45Å; L209-V279 HydrophobicContact CG-CG2 4.36Å; V279-L314 HydrophobicContact CG1-CB 4.01Å; V279-L314 HydrophobicContact CG1-CD1 4.48Å; V279-L314 HydrophobicContact CG1-CD2 3.65Å; V279-L314 HydrophobicContact CG1-CG 4.24Å; V279-I317 HydrophobicContact CG2-CB 4.45Å; V279-I317 HydrophobicContact CG2-CG2 3.9Å; V279-A318 HydrophobicContact CB-CB 4.11Å; V279-A318 HydrophobicContact CG2-CB 3.57Å; V279-T322 PolarHBondContact N-O 3.14Å; V279-L323 HydrophobicContact CB-CD1 3.89Å; V279-L323 HydrophobicContact CG1-CD1 3.88Å; V279-L323 CarbonylContact O-C 3.52Å; V279-L323 WeakPolarHBondContact O-CA 3.47Å; V279-F324 PolarHBondContact O-N 2.85Å
280A89.1Confident75Confident51 Ų5172.7 Ų72.742%0.42141%0.41SS..EExtended strand (participates in β ladder)trans-107.9139175.900000111.2F278 F324F278-A280 HydrophobicContact CE1-CB 3.9Å; A280-F324 WeakPolarHBondContact CA-O 3.45Å; A280-F324 HydrophobicContact CB-CB 4.27Å; A280-F324 HydrophobicContact CB-CD1 3.89Å
281V88.7Confident77Confident12 Ų1261 Ų617%0.07337%0.367CS..EExtended strand (participates in β ladder)trans-141.6136.817459.20000109.7I286 L291 L295 L314 L323 F324 L325 D326V281-I286 HydrophobicContact CG2-CD1 4.16Å; V281-L291 HydrophobicContact CG2-CD1 3.87Å; V281-L295 HydrophobicContact CG1-CD2 3.81Å; V281-L314 HydrophobicContact CB-CD1 3.73Å; V281-L314 HydrophobicContact CG1-CD1 4.14Å; V281-L314 HydrophobicContact CG2-CD1 3.87Å; V281-L323 HydrophobicContact CG1-CD1 4.4Å; V281-F324 PolarHBondContact N-O 3.26Å; V281-L325 HydrophobicContact CG1-CD2 3.6Å; V281-D326 PolarHBondContact O-N 3.49Å
282N88.4Confident79.2Confident53 Ų5356.8 Ų56.828%0.28335%0.347SS..EExtended strand (participates in β ladder)trans-97118.1173.7-175.7-59.6000109.5G284 A285 D326N282-G284 PolarHBondContact OD1-N 3Å; N282-A285 HydrophobicContact CB-CB 4.25Å; N282-A285 PolarHBondContact OD1-N 3.03Å; N282-D326 HydrophobicContact CB-CB 4.26Å; N282-D326 PolarHBondContact ND2-OD2 3.09Å
283C88.6Confident81.2Confident3 Ų353.5 Ų53.52%0.0231%0.312CS..SBendtrans-77.4-19-174.9-62.10000113.5L291 D326 M331C283-L291 HydrophobicContact CB-CD2 4.19Å; C283-D326 WeakPolarHBondContact CB-O 3.46Å; C283-D326 PolarHBondContact N-O 3.26Å; C283-M331 HydrophobicContact CB-CB 4.37Å; C283-M331 HydrophobicContact CB-CE 4.28Å; C283-M331 WeakPolarHBondContact SG-CE 3.41Å
284G81.8Confident83Confident46 Ų4645.4 Ų45.447%0.47428%0.278SS..SBendtrans-91.4-18178.400000114.9N282N282-G284 PolarHBondContact OD1-N 3Å
285A80.2Confident84.7Confident82 Ų8239.3 Ų39.368%0.67825%0.251SS*.SBendtrans-89.2-11.1-17500000114.6N282N282-A285 HydrophobicContact CB-CB 4.25Å; N282-A285 PolarHBondContact OD1-N 3.03Å
286I79Confident85.7Confident60 Ų6038 Ų3831%0.30824%0.241SC..SBendtrans-119.2135.8-170.7-53.8175.9000109.3V281 L290 L291V281-I286 HydrophobicContact CG2-CD1 4.16Å; I286-L290 HydrophobicContact CG2-CB 3.59Å; I286-L291 HydrophobicContact CB-CB 4.22Å; I286-L291 HydrophobicContact CD1-CD1 4.36Å; I286-L291 HydrophobicContact CG2-CB 4.01Å
287A80.8Confident86Confident61 Ų6136.3 Ų36.350%0.50423%0.234SC..  trans-59.2144.8173.700000111.4S289 L290 L291A287-S289 PolarHBondContact O-N 3.31Å; A287-L290 PolarHBondContact O-N 3Å; A287-L291 PolarHBondContact O-N 3.13Å
288E84Confident85.9Confident85 Ų8536 Ų3640%0.39723%0.231SC..Hα-helixtrans-48.3-49.9-172.4-178.1175.4-178.700114L290 L291 E292 P332 P334 L335E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 2.92Å; E288-L291 PolarHBondContact O-N 3.42Å; E288-E292 PolarHBondContact O-N 2.89Å; E288-P332 HydrophobicContact CB-CG 4.08Å; E288-P332 HydrophobicContact CG-CB 4.07Å; E288-P332 HydrophobicContact CG-CG 3.9Å; E288-P334 WeakPolarHBondContact OE1-CG 3.42Å; E288-L335 HydrophobicContact CG-CD1 4.03Å; E288-L335 HydrophobicContact CG-CG 4.2Å
289S81.6Confident85.7Confident83 Ų8339.1 Ų39.158%0.5825%0.245SC*.Hα-helixtrans-66.1-34.5-177.9570000113.5A287 A293A287-S289 PolarHBondContact O-N 3.31Å; S289-A293 PolarHBondContact O-N 3.48Å
290L83.3Confident85.4Confident99 Ų9944.4 Ų44.452%0.51827%0.269SS..Hα-helixtrans-73.8-40.2174.6-69.6176.3000110.7I286 A287 E288 E292 A293 E294I286-L290 HydrophobicContact CG2-CB 3.59Å; A287-L290 PolarHBondContact O-N 3Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-L290 PolarHBondContact O-N 2.92Å; L290-E292 VanDerWaalsContact C-N 3.31Å; L290-E292 PolarHBondContact O-N 2.94Å; L290-A293 PolarHBondContact O-N 2.75Å; L290-E294 WeakPolarHBondContact O-CB 3.5Å; L290-E294 VanDerWaalsContact O-CG 3.26Å; L290-E294 WeakPolarHBondContact O-CG 3.37Å; L290-E294 PolarHBondContact O-N 3.03Å
291L85.6Confident85.1Confident1 Ų144.9 Ų44.91%0.00528%0.279CS..Hα-helixtrans-61.5-42.1177.7-178.760.5000111.1V281 C283 I286 A287 E288 E294 L295 L335V281-L291 HydrophobicContact CG2-CD1 3.87Å; C283-L291 HydrophobicContact CB-CD2 4.19Å; I286-L291 HydrophobicContact CB-CB 4.22Å; I286-L291 HydrophobicContact CD1-CD1 4.36Å; I286-L291 HydrophobicContact CG2-CB 4.01Å; A287-L291 PolarHBondContact O-N 3.13Å; E288-L291 PolarHBondContact O-N 3.42Å; L291-E294 PolarHBondContact O-N 2.96Å; L291-L295 HydrophobicContact CD1-CD1 3.79Å; L291-L295 HydrophobicContact CD1-CG 3.95Å; L291-L295 HydrophobicContact CG-CD1 3.81Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.37Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.15Å; L291-L335 HydrophobicContact CB-CD1 4.12Å; L291-L335 HydrophobicContact CD2-CD1 3.74Å; L291-L335 HydrophobicContact CG-CD1 3.92Å
292E88.7Confident84.6Confident34 Ų3445.8 Ų45.816%0.15929%0.288CS..Hα-helixtrans-58.9-51.4175.1-167.7-173.6156.300112E288 L290 E294 L295 F296 L335 R338 V351E288-E292 PolarHBondContact O-N 2.89Å; L290-E292 VanDerWaalsContact C-N 3.31Å; L290-E292 PolarHBondContact O-N 2.94Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.5Å; E292-L295 PolarHBondContact O-N 2.92Å; E292-F296 HydrophobicContact CG-CD2 3.86Å; E292-F296 HydrophobicContact CG-CE2 4.26Å; E292-F296 WeakPolarHBondContact O-CD2 3.14Å; E292-F296 PolarHBondContact O-N 2.88Å; E292-L335 HydrophobicContact CB-CD2 3.66Å; E292-L335 HydrophobicContact CG-CD2 3.66Å; E292-R338 IonicContact OE1-CZ 3.49Å; E292-R338 IonicContact OE1-NH1 3.4Å; E292-R338 PolarHBondContact OE1-NH1 3.42Å; E292-R338 IonicContact OE1-NH2 2.9Å; E292-R338 PolarHBondContact OE1-NH2 2.89Å; E292-V351 HydrophobicContact CG-CG2 3.83Å; E292-V351 WeakPolarHBondContact OE1-CG2 3.45Å
293A87.1Confident84.1Confident6 Ų647.1 Ų47.15%0.0529%0.292CS..Hα-helixtrans-65.3-34.4-178.800000112.6S289 L290 G297 Y298 F303S289-A293 PolarHBondContact O-N 3.48Å; L290-A293 PolarHBondContact O-N 2.75Å; A293-G297 WeakPolarHBondContact O-CA 3.47Å; A293-G297 PolarHBondContact O-N 3.33Å; A293-G297 VanDerWaalsContact O-N 3.12Å; A293-Y298 HydrophobicContact CB-CD1 3.91Å; A293-Y298 HydrophobicContact CB-CE1 4.48Å; A293-F303 HydrophobicContact CB-CE1 4.05Å; A293-F303 HydrophobicContact CB-CZ 4.27Å
294E85.9Confident83.4Confident51 Ų5154 Ų5424%0.23833%0.333CS..Hα-helixtrans-71.7-50.2174.1-68.4-68.9149.200111.2L290 L291 E292 R311 G313 L314L290-E294 WeakPolarHBondContact O-CB 3.5Å; L290-E294 VanDerWaalsContact O-CG 3.26Å; L290-E294 WeakPolarHBondContact O-CG 3.37Å; L290-E294 PolarHBondContact O-N 3.03Å; L291-E294 PolarHBondContact O-N 2.96Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.5Å; E294-R311 IonicContact OE1-CZ 3.72Å; E294-R311 IonicContact OE1-NH1 2.79Å; E294-R311 PolarHBondContact OE1-NH1 3.18Å; E294-R311 IonicContact OE1-NH2 3.97Å; E294-R311 PolarHBondContact OE1-NH2 2.6Å; E294-R311 IonicContact OE2-CZ 3.62Å; E294-R311 IonicContact OE2-NH1 3.55Å; E294-R311 PolarHBondContact OE2-NH1 3.37Å; E294-R311 IonicContact OE2-NH2 2.67Å; E294-R311 PolarHBondContact OE2-NH2 3.48Å; E294-G313 CarbonylContact O-C 3.38Å; E294-G313 WeakPolarHBondContact O-CA 3.48Å; E294-L314 HydrophobicContact CB-CD1 4.35Å; E294-L314 WeakPolarHBondContact O-CG 3.45Å; E294-L314 PolarHBondContact O-N 2.79Å
295L89.2Confident83Confident0 Ų055.4 Ų55.40%035%0.348CS..Hα-helixtrans-62.8-51.1-175.9-79.7173.6000112.8V281 L291 E292 G313 L314 F315 L325 M331V281-L295 HydrophobicContact CG1-CD2 3.81Å; L291-L295 HydrophobicContact CD1-CD1 3.79Å; L291-L295 HydrophobicContact CD1-CG 3.95Å; L291-L295 HydrophobicContact CG-CD1 3.81Å; L291-L295 HydrophobicContact CG-CG 4.36Å; L291-L295 VanDerWaalsContact O-CB 3.3Å; L291-L295 WeakPolarHBondContact O-CB 3.37Å; L291-L295 WeakPolarHBondContact O-CG 3.48Å; L291-L295 PolarHBondContact O-N 3.15Å; E292-L295 PolarHBondContact O-N 2.92Å; L295-G313 CarbonylContact O-C 3.4Å; L295-L314 HydrophobicContact CD2-CD1 4.25Å; L295-L314 PolarHBondContact O-N 3.11Å; L295-F315 PolarHBondContact O-N 3.07Å; L295-F315 VanDerWaalsContact O-N 3.16Å; L295-L325 HydrophobicContact CD2-CD2 4.04Å; L295-M331 HydrophobicContact CD1-CE 3.99Å
296F90.9Very high82.4Confident4 Ų452.7 Ų52.72%0.01832%0.324CS..Hα-helixtrans-100.4-12.6-170.3-52.2-64000113.4E292 F315 L335 R338 V342 V348E292-F296 HydrophobicContact CG-CD2 3.86Å; E292-F296 HydrophobicContact CG-CE2 4.26Å; E292-F296 WeakPolarHBondContact O-CD2 3.14Å; E292-F296 PolarHBondContact O-N 2.88Å; F296-F315 HydrophobicContact CD1-CD2 4.08Å; F296-F315 HydrophobicContact CD1-CE2 4.31Å; F296-F315 HydrophobicContact CE1-CD2 4.16Å; F296-F315 AromaticContact CE1-CE2 3.91Å; F296-F315 HydrophobicContact CE1-CE2 3.91Å; F296-L335 HydrophobicContact CE2-CD2 4.22Å; F296-R338 HydrophobicContact CE1-CB 4.25Å; F296-R338 HydrophobicContact CE2-CB 3.98Å; F296-R338 HydrophobicContact CZ-CB 3.66Å; F296-V342 HydrophobicContact CD1-CG2 4.11Å; F296-V342 HydrophobicContact CE1-CG2 3.87Å; F296-V348 HydrophobicContact CB-CG2 4.02Å; F296-V348 HydrophobicContact CD1-CG2 3.89Å; F296-V348 HydrophobicContact CG-CG2 4.45Å
297G87.7Confident82.1Confident0 Ų057.9 Ų57.90%034%0.34CS..EExtended strand (participates in β ladder)trans77.4173.2-173.900000111.9A293 R311 G313 V351A293-G297 WeakPolarHBondContact O-CA 3.47Å; A293-G297 PolarHBondContact O-N 3.33Å; A293-G297 VanDerWaalsContact O-N 3.12Å; G297-R311 CarbonylContact C-O 3.52Å; G297-R311 WeakPolarHBondContact CA-O 3.44Å; G297-G313 VanDerWaalsContact CA-CA 3.47Å; G297-V351 WeakPolarHBondContact O-CG2 3.41Å; G297-V351 PolarHBondContact O-N 3.38Å
298Y84.4Confident81.7Confident13 Ų1365.8 Ų65.85%0.05136%0.357CS..EExtended strand (participates in β ladder)trans-146.9150.5179.661.5-93.7000111.5A293 F303 R307 G310 R311 V351A293-Y298 HydrophobicContact CB-CD1 3.91Å; A293-Y298 HydrophobicContact CB-CE1 4.48Å; Y298-F303 HydrophobicContact CD1-CE1 4.07Å; Y298-F303 HydrophobicContact CD1-CZ 4.2Å; Y298-F303 HydrophobicContact CD2-CE1 4.22Å; Y298-F303 HydrophobicContact CD2-CZ 4.44Å; Y298-F303 HydrophobicContact CE1-CZ 4.22Å; Y298-F303 AromaticContact CG-CE1 3.87Å; Y298-F303 HydrophobicContact CG-CE1 3.87Å; Y298-F303 HydrophobicContact CG-CZ 4.29Å; Y298-R307 WeakPolarHBondContact OH-CG 3.23Å; Y298-G310 CarbonylContact O-C 3.56Å; Y298-G310 WeakPolarHBondContact O-CA 3.41Å; Y298-R311 HydrophobicContact CD1-CB 4Å; Y298-R311 HydrophobicContact CE1-CB 3.49Å; Y298-R311 VanDerWaalsContact CE1-CB 3.49Å; Y298-R311 HydrophobicContact CE1-CG 4.37Å; Y298-R311 HydrophobicContact CE2-CB 4.18Å; Y298-R311 PolarHBondContact N-O 3.03Å; Y298-R311 PolarHBondContact O-N 3.29Å; Y298-V351 WeakPolarHBondContact CA-O 3.28Å
299E85.4Confident81.2Confident72 Ų7264.7 Ų64.734%0.33637%0.368SS..  trans-86.3161.2169.7-68.5-167.6175.500111.7G301 A302 R350 V351 G353E299-G301 PolarHBondContact O-N 3.01Å; E299-A302 VanDerWaalsContact O-CB 3.29Å; E299-A302 WeakPolarHBondContact O-CB 3.46Å; E299-A302 PolarHBondContact O-N 3.23Å; E299-A302 VanDerWaalsContact O-N 3.15Å; E299-R350 HydrophobicContact CG-CB 4.15Å; E299-V351 PolarHBondContact N-O 3.28Å; E299-G353 WeakPolarHBondContact OE2-CA 3.37Å
300E83.8Confident81Confident116 Ų11661.5 Ų61.554%0.54235%0.349SS..THydrogen-bonded Turntrans-58.3129.2174.2-179.7167.5178.900110.2G309E300-G309 PolarHBondContact OE2-N 3.4Å
301G81.9Confident81Confident61 Ų6160.7 Ų60.763%0.62934%0.339SS*.THydrogen-bonded Turntrans85.24.1-179.300000115.1E299 F303 S306E299-G301 PolarHBondContact O-N 3.01Å; G301-F303 PolarHBondContact O-N 2.97Å; G301-S306 WeakPolarHBondContact CA-OG 3.29Å; G301-S306 PolarHBondContact N-OG 3.22Å; G301-S306 VanDerWaalsContact N-OG 3.08Å
302A78.7Confident81Confident32 Ų3262.5 Ų62.526%0.26435%0.354SS..SBendtrans-58.2-34.1177.400000113.7E299 V351E299-A302 VanDerWaalsContact O-CB 3.29Å; E299-A302 WeakPolarHBondContact O-CB 3.46Å; E299-A302 PolarHBondContact O-N 3.23Å; E299-A302 VanDerWaalsContact O-N 3.15Å; A302-V351 HydrophobicContact CB-CG1 4.34Å; A302-V351 VanDerWaalsContact CB-O 3.26Å; A302-V351 WeakPolarHBondContact CB-O 3.45Å
303F77.9Confident80.9Confident81 Ų8160.9 Ų60.936%0.35535%0.346SS..SBendtrans-153.6165.6175.253.9-91.6000111.4A293 Y298 G301 G305 S306A293-F303 HydrophobicContact CB-CE1 4.05Å; A293-F303 HydrophobicContact CB-CZ 4.27Å; Y298-F303 HydrophobicContact CD1-CE1 4.07Å; Y298-F303 HydrophobicContact CD1-CZ 4.2Å; Y298-F303 HydrophobicContact CD2-CE1 4.22Å; Y298-F303 HydrophobicContact CD2-CZ 4.44Å; Y298-F303 HydrophobicContact CE1-CZ 4.22Å; Y298-F303 AromaticContact CG-CE1 3.87Å; Y298-F303 HydrophobicContact CG-CE1 3.87Å; Y298-F303 HydrophobicContact CG-CZ 4.29Å; G301-F303 PolarHBondContact O-N 2.97Å; F303-G305 PolarHBondContact O-N 2.93Å; F303-S306 WeakPolarHBondContact O-CB 3.26Å; F303-S306 PolarHBondContact O-N 3.39Å; F303-S306 VanDerWaalsContact O-N 3.11Å; F303-S306 PolarHBondContact O-OG 3.39Å
304T74Confident81.1Confident146 Ų14661.7 Ų61.790%0.89635%0.349SS*.THydrogen-bonded Turntrans-61.3120.1177.249.30000110.5
305G72.8Confident81.3Confident76 Ų7659.4 Ų59.478%0.78434%0.339SS*.THydrogen-bonded Turntrans91.35.4-176.600000115.6F303F303-G305 PolarHBondContact O-N 2.93Å
306S66.8Low81.3Confident25 Ų2561 Ų6118%0.17535%0.346CS..PPolyproline II helixtrans-56.2140.7169.552.40000111.5G301 F303G301-S306 WeakPolarHBondContact CA-OG 3.29Å; G301-S306 PolarHBondContact N-OG 3.22Å; G301-S306 VanDerWaalsContact N-OG 3.08Å; F303-S306 WeakPolarHBondContact O-CB 3.26Å; F303-S306 PolarHBondContact O-N 3.39Å; F303-S306 VanDerWaalsContact O-N 3.11Å; F303-S306 PolarHBondContact O-OG 3.39Å
307R74.4Confident81.2Confident170 Ų17063.3 Ų63.364%0.64236%0.358SS*.PPolyproline II helixtrans-67.8141.2176.9-67.1-177.4179.7-1741.5110.1Y298 G309 G310Y298-R307 WeakPolarHBondContact OH-CG 3.23Å; R307-G309 PolarHBondContact O-N 2.88Å; R307-G310 PolarHBondContact O-N 2.69Å; R307-G310 VanDerWaalsContact O-N 3.13Å
308R70.7Confident81.3Confident227 Ų22763.3 Ų63.386%0.85736%0.358SS*.THydrogen-bonded Turntrans-57.5132.5169.8-71.6-173.2175.5168.9-1.2109.9
309G74.2Confident81.5Confident61 Ų6167.4 Ų67.463%0.62938%0.377SS*.THydrogen-bonded Turntrans86.4-0.7-174.900000116.1E300 R307E300-G309 PolarHBondContact OE2-N 3.4Å; R307-G309 PolarHBondContact O-N 2.88Å
310G77.6Confident81.6Confident17 Ų1765.4 Ų65.418%0.17538%0.376CS..  trans68.9-168.9-178.900000113.7Y298 R307Y298-G310 CarbonylContact O-C 3.56Å; Y298-G310 WeakPolarHBondContact O-CA 3.41Å; R307-G310 PolarHBondContact O-N 2.69Å; R307-G310 VanDerWaalsContact O-N 3.13Å
311R84.2Confident82Confident82 Ų8260 Ų6031%0.30935%0.351SS..EExtended strand (participates in β ladder)trans-149.7134.6176.4-171.6175.7174.6-167.6-13.4110.9E294 G297 Y298E294-R311 IonicContact OE1-CZ 3.72Å; E294-R311 IonicContact OE1-NH1 2.79Å; E294-R311 PolarHBondContact OE1-NH1 3.18Å; E294-R311 IonicContact OE1-NH2 3.97Å; E294-R311 PolarHBondContact OE1-NH2 2.6Å; E294-R311 IonicContact OE2-CZ 3.62Å; E294-R311 IonicContact OE2-NH1 3.55Å; E294-R311 PolarHBondContact OE2-NH1 3.37Å; E294-R311 IonicContact OE2-NH2 2.67Å; E294-R311 PolarHBondContact OE2-NH2 3.48Å; G297-R311 CarbonylContact C-O 3.52Å; G297-R311 WeakPolarHBondContact CA-O 3.44Å; Y298-R311 HydrophobicContact CD1-CB 4Å; Y298-R311 HydrophobicContact CE1-CB 3.49Å; Y298-R311 VanDerWaalsContact CE1-CB 3.49Å; Y298-R311 HydrophobicContact CE1-CG 4.37Å; Y298-R311 HydrophobicContact CE2-CB 4.18Å; Y298-R311 PolarHBondContact N-O 3.03Å; Y298-R311 PolarHBondContact O-N 3.29Å
312A85.2Confident82.6Confident39 Ų3957 Ų5732%0.32232%0.321SS..EExtended strand (participates in β ladder)trans-67.1139.8173.200000111E316A312-E316 WeakPolarHBondContact CA-OE1 3.46Å; A312-E316 HydrophobicContact CB-CB 4.24Å
313G87.1Confident83.4Confident0 Ų055.5 Ų55.50%031%0.309CS..  trans-73.9163.4178.200000113.6E294 L295 G297 F315 E316 I317E294-G313 CarbonylContact O-C 3.38Å; E294-G313 WeakPolarHBondContact O-CA 3.48Å; L295-G313 CarbonylContact O-C 3.4Å; G297-G313 VanDerWaalsContact CA-CA 3.47Å; G313-F315 PolarHBondContact O-N 3.06Å; G313-E316 PolarHBondContact N-OE1 3.13Å; G313-E316 WeakPolarHBondContact O-CB 3.45Å; G313-E316 PolarHBondContact O-N 2.67Å; G313-E316 VanDerWaalsContact O-N 3.09Å; G313-I317 WeakPolarHBondContact O-CG1 3.3Å; G313-I317 PolarHBondContact O-N 3.43Å
314L90Very high84.2Confident22 Ų2251.7 Ų51.712%0.11529%0.292CS..Hα-helixtrans-60.4-31.3173.3-65.6176.6000112.3V279 V281 E294 L295 I317 A318 L323V279-L314 HydrophobicContact CG1-CB 4.01Å; V279-L314 HydrophobicContact CG1-CD1 4.48Å; V279-L314 HydrophobicContact CG1-CD2 3.65Å; V279-L314 HydrophobicContact CG1-CG 4.24Å; V281-L314 HydrophobicContact CB-CD1 3.73Å; V281-L314 HydrophobicContact CG1-CD1 4.14Å; V281-L314 HydrophobicContact CG2-CD1 3.87Å; E294-L314 HydrophobicContact CB-CD1 4.35Å; E294-L314 WeakPolarHBondContact O-CG 3.45Å; E294-L314 PolarHBondContact O-N 2.79Å; L295-L314 HydrophobicContact CD2-CD1 4.25Å; L295-L314 PolarHBondContact O-N 3.11Å; L314-I317 HydrophobicContact CD2-CD1 4.29Å; L314-I317 PolarHBondContact O-N 2.91Å; L314-A318 WeakPolarHBondContact O-CB 3.34Å; L314-A318 PolarHBondContact O-N 3.5Å; L314-L323 HydrophobicContact CB-CD1 4.19Å
315F91.3Very high85.2Confident3 Ų344.7 Ų44.71%0.01325%0.249CC..Hα-helixtrans-61.5-43.4171.3-88.6-77.5000112.8L295 F296 G313 I317 A318 H319 L323 L339 V342 V348 V361L295-F315 PolarHBondContact O-N 3.07Å; L295-F315 VanDerWaalsContact O-N 3.16Å; F296-F315 HydrophobicContact CD1-CD2 4.08Å; F296-F315 HydrophobicContact CD1-CE2 4.31Å; F296-F315 HydrophobicContact CE1-CD2 4.16Å; F296-F315 AromaticContact CE1-CE2 3.91Å; F296-F315 HydrophobicContact CE1-CE2 3.91Å; G313-F315 PolarHBondContact O-N 3.06Å; F315-I317 VanDerWaalsContact C-N 3.34Å; F315-A318 PolarHBondContact O-N 3.02Å; F315-H319 PolarHBondContact O-N 3.39Å; F315-L323 HydrophobicContact CD1-CD2 3.85Å; F315-L323 HydrophobicContact CD2-CD2 4.02Å; F315-L323 HydrophobicContact CE1-CD2 3.5Å; F315-L323 VanDerWaalsContact CE1-CD2 3.5Å; F315-L323 HydrophobicContact CE2-CD2 3.68Å; F315-L323 HydrophobicContact CG-CD2 4.09Å; F315-L323 HydrophobicContact CZ-CD2 3.39Å; F315-L339 HydrophobicContact CE2-CD1 3.99Å; F315-L339 HydrophobicContact CZ-CD1 3.47Å; F315-L339 VanDerWaalsContact CZ-CD1 3.47Å; F315-V342 HydrophobicContact CD1-CG1 3.63Å; F315-V342 HydrophobicContact CD2-CG1 4.3Å; F315-V342 HydrophobicContact CE1-CG1 3.59Å; F315-V342 HydrophobicContact CE2-CG1 4.27Å; F315-V342 HydrophobicContact CG-CG1 4Å; F315-V342 HydrophobicContact CZ-CB 4.46Å; F315-V342 HydrophobicContact CZ-CG1 3.93Å; F315-V348 HydrophobicContact CB-CB 4.34Å; F315-V348 HydrophobicContact CB-CG1 4.37Å; F315-V348 HydrophobicContact CB-CG2 4.31Å; F315-V361 HydrophobicContact CD1-CG2 4.35Å; F315-V361 WeakPolarHBondContact O-CG2 3.4Å
316E88.8Confident86.3Confident35 Ų3542.4 Ų42.416%0.16422%0.219CC..Hα-helixtrans-66-39.9176.5-60179.6-108.800110.8A312 G313 A318 H319 V348 R350 V357A312-E316 WeakPolarHBondContact CA-OE1 3.46Å; A312-E316 HydrophobicContact CB-CB 4.24Å; G313-E316 PolarHBondContact N-OE1 3.13Å; G313-E316 WeakPolarHBondContact O-CB 3.45Å; G313-E316 PolarHBondContact O-N 2.67Å; G313-E316 VanDerWaalsContact O-N 3.09Å; E316-A318 VanDerWaalsContact C-N 3.32Å; E316-A318 PolarHBondContact O-N 2.71Å; E316-H319 VanDerWaalsContact O-CB 3.23Å; E316-H319 WeakPolarHBondContact O-CB 3.33Å; E316-H319 PolarHBondContact O-N 3.36Å; E316-V348 HydrophobicContact CG-CG1 3.69Å; E316-R350 IonicContact OE1-CZ 2.73Å; E316-R350 IonicContact OE1-NE 3.62Å; E316-R350 PolarHBondContact OE1-NE 2.9Å; E316-R350 IonicContact OE1-NH2 2.75Å; E316-R350 IonicContact OE2-CZ 2.67Å; E316-R350 IonicContact OE2-NE 2.96Å; E316-R350 PolarHBondContact OE2-NE 3.01Å; E316-R350 IonicContact OE2-NH2 3.86Å; E316-R350 PolarHBondContact OE2-NH2 3.42Å; E316-V357 HydrophobicContact CG-CG1 4.42Å
317I87.9Confident87.6Confident52 Ų5242.3 Ų42.327%0.26722%0.216SC..Hα-helixtrans-68.1-32.7177.9-65.1166000111.6T205 L209 V279 G313 L314 F315 H319T205-I317 HydrophobicContact CG2-CG2 3.92Å; L209-I317 HydrophobicContact CD1-CG2 3.45Å; L209-I317 VanDerWaalsContact CD1-CG2 3.45Å; L209-I317 HydrophobicContact CD2-CG2 4.27Å; L209-I317 HydrophobicContact CG-CG2 4.43Å; V279-I317 HydrophobicContact CG2-CB 4.45Å; V279-I317 HydrophobicContact CG2-CG2 3.9Å; G313-I317 WeakPolarHBondContact O-CG1 3.3Å; G313-I317 PolarHBondContact O-N 3.43Å; L314-I317 HydrophobicContact CD2-CD1 4.29Å; L314-I317 PolarHBondContact O-N 2.91Å; F315-I317 VanDerWaalsContact C-N 3.34Å; I317-H319 VanDerWaalsContact C-N 3.26Å; I317-H319 PolarHBondContact O-N 2.75Å
318A89.8Confident88.6Confident0 Ų034.2 Ų34.20%019%0.185CC..THydrogen-bonded Turntrans-80.2-3.6178.900000113.8V279 L314 F315 E316 G320 G321 L323 V361V279-A318 HydrophobicContact CB-CB 4.11Å; V279-A318 HydrophobicContact CG2-CB 3.57Å; L314-A318 WeakPolarHBondContact O-CB 3.34Å; L314-A318 PolarHBondContact O-N 3.5Å; F315-A318 PolarHBondContact O-N 3.02Å; E316-A318 VanDerWaalsContact C-N 3.32Å; E316-A318 PolarHBondContact O-N 2.71Å; A318-G320 PolarHBondContact O-N 3.44Å; A318-G321 CarbonylContact O-C 3.6Å; A318-G321 WeakPolarHBondContact O-CA 3.43Å; A318-G321 PolarHBondContact O-N 3.23Å; A318-L323 HydrophobicContact CB-CB 3.96Å; A318-L323 HydrophobicContact CB-CD1 4.44Å; A318-V361 HydrophobicContact CB-CG1 3.75Å; A318-V361 HydrophobicContact CB-CG2 4.02Å
319H88.9Confident89.7Confident98 Ų9824 Ų2445%0.45415%0.151SC..THydrogen-bonded Turntrans-54.5130.5-177.1-175.794.8000111.9F315 E316 I317 G321 V359 D360F315-H319 PolarHBondContact O-N 3.39Å; E316-H319 VanDerWaalsContact O-CB 3.23Å; E316-H319 WeakPolarHBondContact O-CB 3.33Å; E316-H319 PolarHBondContact O-N 3.36Å; I317-H319 VanDerWaalsContact C-N 3.26Å; I317-H319 PolarHBondContact O-N 2.75Å; H319-G321 VanDerWaalsContact C-N 3.26Å; H319-G321 PolarHBondContact O-N 3.05Å; H319-V359 WeakPolarHBondContact ND1-CA 3.22Å; H319-D360 PolarHBondContact CE1-N 2.92Å; H319-D360 PolarHBondContact ND1-N 2.77Å
320G88.6Confident90.6Very high30 Ų3026 Ų2631%0.30914%0.144SC..THydrogen-bonded Turntrans74.610.9-175.300000114.4H276 A318 D360H276-G320 PolarHBondContact ND1-O 3.27Å; A318-G320 PolarHBondContact O-N 3.44Å; G320-D360 PolarHBondContact N-O 3.06Å
321G91.5Very high91.4Very high2 Ų225.3 Ų25.32%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-139-139.2-176.600000113.6P277 A318 H319 R362P277-G321 CarbonylContact O-C 3.57Å; P277-G321 VanDerWaalsContact O-CA 3.24Å; P277-G321 WeakPolarHBondContact O-CA 3.46Å; A318-G321 CarbonylContact O-C 3.6Å; A318-G321 WeakPolarHBondContact O-CA 3.43Å; A318-G321 PolarHBondContact O-N 3.23Å; H319-G321 VanDerWaalsContact C-N 3.26Å; H319-G321 PolarHBondContact O-N 3.05Å; G321-R362 WeakPolarHBondContact O-CB 3.29Å; G321-R362 PolarHBondContact O-N 2.97Å
322T93.5Very high91.8Very high0 Ų023.2 Ų23.20%013%0.133CC..EExtended strand (participates in β ladder)trans-129.9133.3-178.2-55.50000111.4H260 P277 F278 V279 R362 I364H260-T322 VanDerWaalsContact ND1-CB 3.3Å; H260-T322 WeakPolarHBondContact ND1-CB 3.37Å; H260-T322 PolarHBondContact ND1-OG1 2.9Å; P277-T322 PolarHBondContact O-N 3.05Å; F278-T322 WeakPolarHBondContact CA-O 3.42Å; F278-T322 HydrophobicContact CD2-CG2 4.24Å; F278-T322 HydrophobicContact CE2-CG2 4.39Å; V279-T322 PolarHBondContact N-O 3.14Å; T322-R362 CarbonylContact C-O 3.57Å; T322-R362 WeakPolarHBondContact CA-O 3.42Å; T322-R362 WeakPolarHBondContact CG2-O 3.46Å; T322-I364 HydrophobicContact CG2-CB 4.38Å; T322-I364 HydrophobicContact CG2-CD1 3.71Å; T322-I364 HydrophobicContact CG2-CG1 3.77Å
323L95.3Very high92.2Very high0 Ų024.6 Ų24.60%014%0.135CC..EExtended strand (participates in β ladder)trans-101.5121.3166.4-178.167.3000108.8V279 V281 L314 F315 A318 L325 V361 R362 V363 I364V279-L323 HydrophobicContact CB-CD1 3.89Å; V279-L323 HydrophobicContact CG1-CD1 3.88Å; V279-L323 CarbonylContact O-C 3.52Å; V279-L323 WeakPolarHBondContact O-CA 3.47Å; V281-L323 HydrophobicContact CG1-CD1 4.4Å; L314-L323 HydrophobicContact CB-CD1 4.19Å; F315-L323 HydrophobicContact CD1-CD2 3.85Å; F315-L323 HydrophobicContact CD2-CD2 4.02Å; F315-L323 HydrophobicContact CE1-CD2 3.5Å; F315-L323 VanDerWaalsContact CE1-CD2 3.5Å; F315-L323 HydrophobicContact CE2-CD2 3.68Å; F315-L323 HydrophobicContact CG-CD2 4.09Å; F315-L323 HydrophobicContact CZ-CD2 3.39Å; A318-L323 HydrophobicContact CB-CB 3.96Å; A318-L323 HydrophobicContact CB-CD1 4.44Å; L323-L325 HydrophobicContact CD2-CD2 3.94Å; L323-L325 HydrophobicContact CD2-CG 4.46Å; L323-L325 HydrophobicContact CG-CD2 4.01Å; L323-L325 HydrophobicContact CG-CG 4.37Å; L323-V361 HydrophobicContact CB-CG1 3.52Å; L323-R362 PolarHBondContact N-O 3.29Å; L323-V363 WeakPolarHBondContact O-CA 3.33Å; L323-I364 PolarHBondContact O-N 2.83Å
324F95.8Very high92.4Very high0 Ų028.2 Ų28.20%016%0.158CC..EExtended strand (participates in β ladder)trans-99.8118.4173.8177.9-116.2000110.5E253 A256 F278 V279 A280 V281 D326 I364 A366E253-F324 HydrophobicContact CB-CE1 4.27Å; E253-F324 WeakPolarHBondContact OE2-CD1 3.46Å; E253-F324 WeakPolarHBondContact OE2-CE1 3.38Å; A256-F324 HydrophobicContact CB-CD1 4.5Å; A256-F324 HydrophobicContact CB-CD2 3.4Å; A256-F324 VanDerWaalsContact CB-CD2 3.4Å; A256-F324 HydrophobicContact CB-CE2 3.49Å; A256-F324 VanDerWaalsContact CB-CE2 3.49Å; A256-F324 HydrophobicContact CB-CG 3.95Å; A256-F324 HydrophobicContact CB-CZ 4.09Å; F278-F324 HydrophobicContact CE1-CB 4.24Å; F278-F324 HydrophobicContact CE2-CB 3.85Å; F278-F324 HydrophobicContact CZ-CB 3.5Å; F278-F324 VanDerWaalsContact CZ-CB 3.5Å; F278-F324 HydrophobicContact CZ-CD1 4.25Å; F278-F324 AromaticContact CZ-CG 3.94Å; F278-F324 HydrophobicContact CZ-CG 3.94Å; V279-F324 PolarHBondContact O-N 2.85Å; A280-F324 WeakPolarHBondContact CA-O 3.45Å; A280-F324 HydrophobicContact CB-CB 4.27Å; A280-F324 HydrophobicContact CB-CD1 3.89Å; V281-F324 PolarHBondContact N-O 3.26Å; F324-D326 HydrophobicContact CD1-CB 4.3Å; F324-D326 HydrophobicContact CE1-CB 3.56Å; F324-D326 HydrophobicContact CZ-CB 3.97Å; F324-I364 CarbonylContact C-O 3.51Å; F324-I364 VanDerWaalsContact CA-O 3.24Å; F324-I364 WeakPolarHBondContact CA-O 3.17Å; F324-I364 HydrophobicContact CD2-CB 4.09Å; F324-I364 HydrophobicContact CD2-CG2 3.84Å; F324-I364 WeakPolarHBondContact CD2-O 3.17Å; F324-I364 HydrophobicContact CE2-CG2 4.18Å; F324-A366 HydrophobicContact CE2-CB 3.53Å; F324-A366 HydrophobicContact CZ-CB 3.46Å; F324-A366 VanDerWaalsContact CZ-CB 3.46Å
325L95.6Very high92.6Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-10496.7178.7-59.8175.1000109.1V281 L295 L323 I328 L339 V363 I364 S365 A366V281-L325 HydrophobicContact CG1-CD2 3.6Å; L295-L325 HydrophobicContact CD2-CD2 4.04Å; L323-L325 HydrophobicContact CD2-CD2 3.94Å; L323-L325 HydrophobicContact CD2-CG 4.46Å; L323-L325 HydrophobicContact CG-CD2 4.01Å; L323-L325 HydrophobicContact CG-CG 4.37Å; L325-I328 HydrophobicContact CB-CD1 4.36Å; L325-I328 HydrophobicContact CD1-CD1 4.14Å; L325-L339 HydrophobicContact CD1-CD1 4.06Å; L325-L339 HydrophobicContact CD1-CD2 3.81Å; L325-V363 HydrophobicContact CD1-CG1 3.98Å; L325-I364 PolarHBondContact N-O 3.04Å; L325-S365 CarbonylContact O-C 3.5Å; L325-S365 WeakPolarHBondContact O-CA 3.23Å; L325-A366 PolarHBondContact O-N 3.33Å
326D95.1Very high92.9Very high28 Ų2827.1 Ų27.115%0.1515%0.152CC..EExtended strand (participates in β ladder)trans-81.3141.3176.7-165.530.6000111.1V281 N282 C283 F324V281-D326 PolarHBondContact O-N 3.49Å; N282-D326 HydrophobicContact CB-CB 4.26Å; N282-D326 PolarHBondContact ND2-OD2 3.09Å; C283-D326 WeakPolarHBondContact CB-O 3.46Å; C283-D326 PolarHBondContact N-O 3.26Å; F324-D326 HydrophobicContact CD1-CB 4.3Å; F324-D326 HydrophobicContact CE1-CB 3.56Å; F324-D326 HydrophobicContact CZ-CB 3.97Å
327E94.4Very high93.1Very high22 Ų2227.5 Ų27.510%0.10316%0.157CC..THydrogen-bonded Turntrans51.452.3-174.9-52.6-57.3175.100114K252 G329 E330 A366 H368K252-E327 IonicContact NZ-OE1 3.5Å; K252-E327 PolarHBondContact NZ-OE1 2.71Å; K252-E327 IonicContact NZ-OE2 3.61Å; E327-G329 PolarHBondContact O-N 3.47Å; E327-E330 HydrophobicContact CB-CG 4.23Å; E327-E330 WeakPolarHBondContact O-CB 3.21Å; E327-E330 PolarHBondContact O-N 3.41Å; E327-A366 CarbonylContact C-O 3.53Å; E327-A366 VanDerWaalsContact CA-O 3.28Å; E327-A366 WeakPolarHBondContact CA-O 3.37Å; E327-A366 PolarHBondContact N-O 3.45Å; E327-H368 IonicContact OE1-ND1 3.46Å; E327-H368 IonicContact OE2-CE1 2.88Å; E327-H368 IonicContact OE2-CG 2.62Å; E327-H368 PolarHBondContact OE2-N 3.06Å; E327-H368 IonicContact OE2-ND1 3.32Å; E327-H368 PolarHBondContact OE2-ND1 3.09Å
328I95.5Very high93.4Very high0 Ų029.9 Ų29.90%016%0.163CC..G310 helixtrans-60-27.3-179.6-169.857.4000113.4L243 L325 E330 M331 L339 A366 F380 L388L243-I328 HydrophobicContact CD1-CG2 4.25Å; L325-I328 HydrophobicContact CB-CD1 4.36Å; L325-I328 HydrophobicContact CD1-CD1 4.14Å; I328-E330 PolarHBondContact O-N 3.2Å; I328-M331 HydrophobicContact CD1-CB 4.13Å; I328-M331 HydrophobicContact CD1-CE 3.66Å; I328-M331 HydrophobicContact CD1-SD 3.91Å; I328-M331 VanDerWaalsContact O-CB 3.31Å; I328-M331 WeakPolarHBondContact O-CB 3.35Å; I328-M331 PolarHBondContact O-N 2.83Å; I328-M331 VanDerWaalsContact O-N 3.16Å; I328-L339 HydrophobicContact CD1-CD2 3.83Å; I328-A366 PolarHBondContact N-O 3.39Å; I328-F380 HydrophobicContact CG1-CE2 4.24Å; I328-F380 HydrophobicContact CG1-CZ 4.27Å; I328-L388 HydrophobicContact CD1-CD1 4.49Å; I328-L388 HydrophobicContact CG1-CD1 3.88Å
329G93.8Very high93.7Very high14 Ų1429.9 Ų29.914%0.14416%0.163CC..G310 helixtrans-63.5-24.2176.200000113.7E327 M331E327-G329 PolarHBondContact O-N 3.47Å; G329-M331 VanDerWaalsContact C-N 3.32Å
330E92.9Very high94.1Very high101 Ų10125.8 Ų25.847%0.47214%0.144SC..G310 helixtrans-87.50.5178.6-61.2-69.216300112.6E327 I328 P332 H368E327-E330 HydrophobicContact CB-CG 4.23Å; E327-E330 WeakPolarHBondContact O-CB 3.21Å; E327-E330 PolarHBondContact O-N 3.41Å; I328-E330 PolarHBondContact O-N 3.2Å; E330-P332 WeakPolarHBondContact O-CD 3.04Å; E330-H368 IonicContact OE1-CE1 3.87Å
331M94Very high94.3Very high4 Ų431.5 Ų31.52%0.0216%0.157CC..SBendtrans-71.2128.1-178.9-177.9174.2-74.500111.1C283 L295 I328 G329 L335 Q336 L339C283-M331 HydrophobicContact CB-CB 4.37Å; C283-M331 HydrophobicContact CB-CE 4.28Å; C283-M331 WeakPolarHBondContact SG-CE 3.41Å; L295-M331 HydrophobicContact CD1-CE 3.99Å; I328-M331 HydrophobicContact CD1-CB 4.13Å; I328-M331 HydrophobicContact CD1-CE 3.66Å; I328-M331 HydrophobicContact CD1-SD 3.91Å; I328-M331 VanDerWaalsContact O-CB 3.31Å; I328-M331 WeakPolarHBondContact O-CB 3.35Å; I328-M331 PolarHBondContact O-N 2.83Å; I328-M331 VanDerWaalsContact O-N 3.16Å; G329-M331 VanDerWaalsContact C-N 3.32Å; M331-L335 HydrophobicContact CG-CB 3.81Å; M331-L335 HydrophobicContact SD-CB 3.98Å; M331-Q336 HydrophobicContact CB-CG 4.21Å; M331-Q336 HydrophobicContact CG-CG 4Å; M331-Q336 PolarHBondContact O-NE2 3.04Å; M331-Q336 HydrophobicContact SD-CG 4.21Å; M331-L339 HydrophobicContact CE-CD2 4.12Å; M331-L339 HydrophobicContact SD-CB 4.35Å; M331-L339 HydrophobicContact SD-CD2 3.82Å
332P93.1Very high94.5Very high37 Ų3731.9 Ų31.924%0.2416%0.159CC..  trans-56.9142.4174.8-27.335.3000113.8E288 E330 P334 L335 Q336E288-P332 HydrophobicContact CB-CG 4.08Å; E288-P332 HydrophobicContact CG-CB 4.07Å; E288-P332 HydrophobicContact CG-CG 3.9Å; E330-P332 WeakPolarHBondContact O-CD 3.04Å; P332-P334 VanDerWaalsContact C-CD 3.4Å; P332-L335 HydrophobicContact CG-CD1 4.44Å; P332-L335 PolarHBondContact O-N 2.98Å; P332-Q336 PolarHBondContact O-N 3.12Å
333L93.5Very high94.6Very high69 Ų6933.1 Ų33.136%0.36117%0.165SC..Hα-helixtrans-51.1-39.4-180-73.6172.4000115.2L335 Q336 T337 Q379 R381L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.46Å; L333-Q336 PolarHBondContact O-N 3.5Å; L333-T337 PolarHBondContact O-N 3.39Å; L333-T337 PolarHBondContact O-OG1 3.36Å; L333-Q379 VanDerWaalsContact CD2-O 3.32Å; L333-Q379 WeakPolarHBondContact CD2-O 3.28Å; L333-R381 HydrophobicContact CD2-CG 4.1Å
334P92.2Very high94.5Very high75 Ų7538 Ų3849%0.48719%0.188SC..Hα-helixtrans-62.1-40.5176.1-24.536.5000112.4E288 P332 T337 R338E288-P334 WeakPolarHBondContact OE1-CG 3.42Å; P332-P334 VanDerWaalsContact C-CD 3.4Å; P334-T337 PolarHBondContact O-N 3.49Å; P334-R338 PolarHBondContact O-N 2.67Å
335L94.2Very high94.5Very high1 Ų143.5 Ų43.51%0.00521%0.214CC..Hα-helixtrans-72-35.7178.3-58.1-172.5000111.8E288 L291 E292 F296 M331 P332 L333 T337 R338 L339E288-L335 HydrophobicContact CG-CD1 4.03Å; E288-L335 HydrophobicContact CG-CG 4.2Å; L291-L335 HydrophobicContact CB-CD1 4.12Å; L291-L335 HydrophobicContact CD2-CD1 3.74Å; L291-L335 HydrophobicContact CG-CD1 3.92Å; E292-L335 HydrophobicContact CB-CD2 3.66Å; E292-L335 HydrophobicContact CG-CD2 3.66Å; F296-L335 HydrophobicContact CE2-CD2 4.22Å; M331-L335 HydrophobicContact CG-CB 3.81Å; M331-L335 HydrophobicContact SD-CB 3.98Å; P332-L335 HydrophobicContact CG-CD1 4.44Å; P332-L335 PolarHBondContact O-N 2.98Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.46Å; L335-T337 VanDerWaalsContact C-N 3.25Å; L335-T337 PolarHBondContact O-N 3.27Å; L335-R338 PolarHBondContact O-N 3.37Å; L335-L339 WeakPolarHBondContact O-CB 3.29Å; L335-L339 PolarHBondContact O-N 3.42Å
336Q96.1Very high94.5Very high1 Ų149.5 Ų49.51%0.00524%0.24CC..Hα-helixtrans-56.5-40.7172.2-68.3-179.132.500111.8M331 P332 L333 L339 L340 Q379 R381 L384M331-Q336 HydrophobicContact CB-CG 4.21Å; M331-Q336 HydrophobicContact CG-CG 4Å; M331-Q336 PolarHBondContact O-NE2 3.04Å; M331-Q336 HydrophobicContact SD-CG 4.21Å; P332-Q336 PolarHBondContact O-N 3.12Å; L333-Q336 PolarHBondContact O-N 3.5Å; Q336-L339 PolarHBondContact O-N 3.03Å; Q336-L340 WeakPolarHBondContact O-CB 3.47Å; Q336-L340 PolarHBondContact O-N 2.87Å; Q336-Q379 PolarHBondContact NE2-O 2.88Å; Q336-R381 HydrophobicContact CB-CG 4.45Å; Q336-L384 HydrophobicContact CB-CD2 3.62Å; Q336-L384 HydrophobicContact CG-CD2 3.82Å
337T94.1Very high94.5Very high43 Ų4351.7 Ų51.726%0.26425%0.249SC..Hα-helixtrans-66.4-40.4179.2-560000111.8L333 P334 L335 R341 R381L333-T337 PolarHBondContact O-N 3.39Å; L333-T337 PolarHBondContact O-OG1 3.36Å; P334-T337 PolarHBondContact O-N 3.49Å; L335-T337 VanDerWaalsContact C-N 3.25Å; L335-T337 PolarHBondContact O-N 3.27Å; T337-R341 PolarHBondContact O-N 3.24Å; T337-R381 PolarHBondContact OG1-NH1 2.96Å; T337-R381 VanDerWaalsContact OG1-NH1 3.07Å
338R93.8Very high94.4Very high102 Ų10250.7 Ų50.739%0.38524%0.244SC..Hα-helixtrans-71.2-40.9175.9-69.3-165.5-173.4-179.419.7112.3E292 F296 P334 L335 L340 R341 V342E292-R338 IonicContact OE1-CZ 3.49Å; E292-R338 IonicContact OE1-NH1 3.4Å; E292-R338 PolarHBondContact OE1-NH1 3.42Å; E292-R338 IonicContact OE1-NH2 2.9Å; E292-R338 PolarHBondContact OE1-NH2 2.89Å; F296-R338 HydrophobicContact CE1-CB 4.25Å; F296-R338 HydrophobicContact CE2-CB 3.98Å; F296-R338 HydrophobicContact CZ-CB 3.66Å; P334-R338 PolarHBondContact O-N 2.67Å; L335-R338 PolarHBondContact O-N 3.37Å; R338-L340 VanDerWaalsContact C-N 3.28Å; R338-L340 PolarHBondContact O-N 3.09Å; R338-R341 PolarHBondContact O-N 2.95Å; R338-R341 VanDerWaalsContact O-N 3.16Å; R338-V342 WeakPolarHBondContact O-CG2 3.35Å; R338-V342 PolarHBondContact O-N 3.28Å
339L96.3Very high94.2Very high1 Ų153.5 Ų53.51%0.00526%0.261CS..Hα-helixtrans-55.4-47.2174.2175.760000110.4F315 L325 I328 M331 L335 Q336 R341 V342 L343 L384F315-L339 HydrophobicContact CE2-CD1 3.99Å; F315-L339 HydrophobicContact CZ-CD1 3.47Å; F315-L339 VanDerWaalsContact CZ-CD1 3.47Å; L325-L339 HydrophobicContact CD1-CD1 4.06Å; L325-L339 HydrophobicContact CD1-CD2 3.81Å; I328-L339 HydrophobicContact CD1-CD2 3.83Å; M331-L339 HydrophobicContact CE-CD2 4.12Å; M331-L339 HydrophobicContact SD-CB 4.35Å; M331-L339 HydrophobicContact SD-CD2 3.82Å; L335-L339 WeakPolarHBondContact O-CB 3.29Å; L335-L339 PolarHBondContact O-N 3.42Å; Q336-L339 PolarHBondContact O-N 3.03Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.16Å; L339-V342 PolarHBondContact O-N 3.49Å; L339-L343 HydrophobicContact CD1-CD1 4.26Å; L339-L343 HydrophobicContact CD1-CG 4.2Å; L339-L343 HydrophobicContact CG-CD1 4.11Å; L339-L343 HydrophobicContact CG-CG 4.46Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.34Å; L339-L343 PolarHBondContact O-N 3.37Å; L339-L384 HydrophobicContact CD2-CD1 4.08Å; L339-L384 HydrophobicContact CD2-CD2 4.19Å; L339-L384 HydrophobicContact CG-CD1 4.07Å
340L96.1Very high94.1Very high12 Ų1256 Ų566%0.06327%0.267CS..Hα-helixtrans-55.1-47.7176.2-18062.3000112.2Q336 R338 V342 L343 E344 D383 L384Q336-L340 WeakPolarHBondContact O-CB 3.47Å; Q336-L340 PolarHBondContact O-N 2.87Å; R338-L340 VanDerWaalsContact C-N 3.28Å; R338-L340 PolarHBondContact O-N 3.09Å; L340-V342 PolarHBondContact O-N 3.03Å; L340-L343 WeakPolarHBondContact O-CB 3.38Å; L340-L343 PolarHBondContact O-N 2.87Å; L340-L343 VanDerWaalsContact O-N 3.13Å; L340-E344 HydrophobicContact CD1-CG 4.15Å; L340-E344 HydrophobicContact CG-CG 4.45Å; L340-E344 WeakPolarHBondContact O-CG 3.33Å; L340-E344 PolarHBondContact O-N 3.5Å; L340-D383 HydrophobicContact CD2-CB 4.02Å; L340-D383 VanDerWaalsContact CD2-CG 3.42Å; L340-D383 WeakPolarHBondContact CD2-OD2 3.22Å; L340-L384 HydrophobicContact CB-CD1 4.29Å; L340-L384 HydrophobicContact CD1-CD1 4.49Å
341R94.3Very high93.9Very high149 Ų14952.3 Ų52.356%0.56225%0.251SS*.Hα-helixtrans-58.7-45177.7-69.8-175.4-178.3-176.5-1.3112.4T337 R338 L339 L343 E344 E345T337-R341 PolarHBondContact O-N 3.24Å; R338-R341 PolarHBondContact O-N 2.95Å; R338-R341 VanDerWaalsContact O-N 3.16Å; L339-R341 VanDerWaalsContact C-N 3.34Å; L339-R341 PolarHBondContact O-N 3.16Å; R341-L343 VanDerWaalsContact C-N 3.29Å; R341-L343 PolarHBondContact O-N 3.46Å; R341-E344 PolarHBondContact O-N 3.24Å; R341-E344 VanDerWaalsContact O-N 3.16Å; R341-E345 WeakPolarHBondContact O-CB 3.49Å; R341-E345 PolarHBondContact O-N 2.95Å
342V95.1Very high93.5Very high11 Ų1154.7 Ų54.77%0.06728%0.276CS..Hα-helixtrans-61.4-39.2177178.50000111.3F296 F315 R338 L339 L340 E344 K346 V348 V359F296-V342 HydrophobicContact CD1-CG2 4.11Å; F296-V342 HydrophobicContact CE1-CG2 3.87Å; F315-V342 HydrophobicContact CD1-CG1 3.63Å; F315-V342 HydrophobicContact CD2-CG1 4.3Å; F315-V342 HydrophobicContact CE1-CG1 3.59Å; F315-V342 HydrophobicContact CE2-CG1 4.27Å; F315-V342 HydrophobicContact CG-CG1 4Å; F315-V342 HydrophobicContact CZ-CB 4.46Å; F315-V342 HydrophobicContact CZ-CG1 3.93Å; R338-V342 WeakPolarHBondContact O-CG2 3.35Å; R338-V342 PolarHBondContact O-N 3.28Å; L339-V342 PolarHBondContact O-N 3.49Å; L340-V342 PolarHBondContact O-N 3.03Å; V342-E344 VanDerWaalsContact C-N 3.33Å; V342-E344 PolarHBondContact O-N 3.5Å; V342-K346 VanDerWaalsContact O-CA 3.25Å; V342-K346 WeakPolarHBondContact O-CA 3.4Å; V342-K346 PolarHBondContact O-N 3.3Å; V342-V348 HydrophobicContact CG1-CB 4.49Å; V342-V348 HydrophobicContact CG2-CB 4.39Å; V342-V348 HydrophobicContact CG2-CG2 4.29Å; V342-V359 HydrophobicContact CG1-CG2 4.12Å
343L94.8Very high93.2Very high25 Ų2553.3 Ų53.313%0.13127%0.269CS..Hα-helixtrans-70.4-26.9177.6-64.1175.6000113.7L339 L340 R341 V363 L384 R387 L388L339-L343 HydrophobicContact CD1-CD1 4.26Å; L339-L343 HydrophobicContact CD1-CG 4.2Å; L339-L343 HydrophobicContact CG-CD1 4.11Å; L339-L343 HydrophobicContact CG-CG 4.46Å; L339-L343 VanDerWaalsContact O-CG 3.28Å; L339-L343 WeakPolarHBondContact O-CG 3.34Å; L339-L343 PolarHBondContact O-N 3.37Å; L340-L343 WeakPolarHBondContact O-CB 3.38Å; L340-L343 PolarHBondContact O-N 2.87Å; L340-L343 VanDerWaalsContact O-N 3.13Å; R341-L343 VanDerWaalsContact C-N 3.29Å; R341-L343 PolarHBondContact O-N 3.46Å; L343-V363 HydrophobicContact CD2-CB 4.28Å; L343-V363 HydrophobicContact CD2-CG2 3.63Å; L343-L384 HydrophobicContact CD1-CD1 3.79Å; L343-R387 HydrophobicContact CB-CG 4.26Å; L343-R387 HydrophobicContact CD1-CG 4.22Å; L343-R387 PolarHBondContact O-NH2 2.9Å; L343-L388 HydrophobicContact CD1-CD2 3.69Å; L343-L388 HydrophobicContact CD1-CG 4.38Å
344E94.5Very high92.9Very high104 Ų10458.5 Ų58.549%0.48629%0.291SS..Hα-helixtrans-86.1-52.6180-74179.3160.700112L340 R341 V342L340-E344 HydrophobicContact CD1-CG 4.15Å; L340-E344 HydrophobicContact CG-CG 4.45Å; L340-E344 WeakPolarHBondContact O-CG 3.33Å; L340-E344 PolarHBondContact O-N 3.5Å; R341-E344 PolarHBondContact O-N 3.24Å; R341-E344 VanDerWaalsContact O-N 3.16Å; V342-E344 VanDerWaalsContact C-N 3.33Å; V342-E344 PolarHBondContact O-N 3.5Å
345E95.3Very high92.7Very high115 Ų11561.9 Ų61.954%0.53730%0.3SS..Hα-helixtrans-81.1-21.4-174.6-62.9172.5-179.300111.9R341 E347R341-E345 WeakPolarHBondContact O-CB 3.49Å; R341-E345 PolarHBondContact O-N 2.95Å; E345-E347 PolarHBondContact O-N 3.21Å
346K95.2Very high92.6Very high125 Ų12564.6 Ų64.654%0.54332%0.318SS..SBendtrans56.631.6-171.5-58.4-173.6175.8-169.60112.9V342 V359V342-K346 VanDerWaalsContact O-CA 3.25Å; V342-K346 WeakPolarHBondContact O-CA 3.4Å; V342-K346 PolarHBondContact O-N 3.3Å; K346-V359 PolarHBondContact O-N 3.08Å; K346-V359 VanDerWaalsContact O-O 3.14Å
347E95.3Very high92.4Very high75 Ų7566.6 Ų66.635%0.3533%0.33SS..EExtended strand (participates in β ladder)trans-133.1145.4177.2-62.6-175.816700108.7E345 P356 V357 P358E345-E347 PolarHBondContact O-N 3.21Å; E347-P356 HydrophobicContact CB-CB 4.05Å; E347-P356 VanDerWaalsContact OE2-CB 3.31Å; E347-P356 WeakPolarHBondContact OE2-CB 3.39Å; E347-V357 CarbonylContact C-O 3.54Å; E347-V357 VanDerWaalsContact CA-O 3.31Å; E347-V357 WeakPolarHBondContact CA-O 3.45Å; E347-P358 HydrophobicContact CG-CB 4.41Å
348V92.9Very high92.4Very high0 Ų068.6 Ų68.60%034%0.343CS..EExtended strand (participates in β ladder)trans-117.6129.2175.2660000110F296 F315 E316 V342 V357 V359F296-V348 HydrophobicContact CB-CG2 4.02Å; F296-V348 HydrophobicContact CD1-CG2 3.89Å; F296-V348 HydrophobicContact CG-CG2 4.45Å; F315-V348 HydrophobicContact CB-CB 4.34Å; F315-V348 HydrophobicContact CB-CG1 4.37Å; F315-V348 HydrophobicContact CB-CG2 4.31Å; E316-V348 HydrophobicContact CG-CG1 3.69Å; V342-V348 HydrophobicContact CG1-CB 4.49Å; V342-V348 HydrophobicContact CG2-CB 4.39Å; V342-V348 HydrophobicContact CG2-CG2 4.29Å; V348-V357 HydrophobicContact CG1-CB 4.07Å; V348-V357 PolarHBondContact N-O 2.55Å; V348-V357 PolarHBondContact O-N 2.91Å; V348-V359 HydrophobicContact CB-CG1 4.49Å; V348-V359 HydrophobicContact CB-CG2 4.4Å; V348-V359 HydrophobicContact CG1-CG1 3.68Å; V348-V359 HydrophobicContact CG1-CG2 4.44Å
349T91.8Very high92.4Very high59 Ų5964.2 Ų64.236%0.36233%0.328SS..EExtended strand (participates in β ladder)trans-102.7122.9172.7-52.60000108.6G353T349-G353 WeakPolarHBondContact CG2-O 3.34Å
350R91.1Very high92.2Very high68 Ų6869 Ų6926%0.25735%0.353SS..PPolyproline II helixtrans-63.4147.6177.8-68.1-177.9-179.8167.75110.9E299 E316 G352 G353E299-R350 HydrophobicContact CG-CB 4.15Å; E316-R350 IonicContact OE1-CZ 2.73Å; E316-R350 IonicContact OE1-NE 3.62Å; E316-R350 PolarHBondContact OE1-NE 2.9Å; E316-R350 IonicContact OE1-NH2 2.75Å; E316-R350 IonicContact OE2-CZ 2.67Å; E316-R350 IonicContact OE2-NE 2.96Å; E316-R350 PolarHBondContact OE2-NE 3.01Å; E316-R350 IonicContact OE2-NH2 3.86Å; E316-R350 PolarHBondContact OE2-NH2 3.42Å; R350-G352 PolarHBondContact O-N 3.26Å; R350-G353 PolarHBondContact O-N 3.02Å
351V87.4Confident92.1Very high23 Ų2369.7 Ų69.714%0.13936%0.358CS..BIsolated β-bridgetrans-60.8128.2174.7-176.40000109.5E292 G297 Y298 E299 A302 G353E292-V351 HydrophobicContact CG-CG2 3.83Å; E292-V351 WeakPolarHBondContact OE1-CG2 3.45Å; G297-V351 WeakPolarHBondContact O-CG2 3.41Å; G297-V351 PolarHBondContact O-N 3.38Å; Y298-V351 WeakPolarHBondContact CA-O 3.28Å; E299-V351 PolarHBondContact N-O 3.28Å; A302-V351 HydrophobicContact CB-CG1 4.34Å; A302-V351 VanDerWaalsContact CB-O 3.26Å; A302-V351 WeakPolarHBondContact CB-O 3.45Å; V351-G353 PolarHBondContact O-N 3.38Å
352G87.2Confident92.1Very high53 Ų5363.2 Ų63.255%0.54633%0.334SS..THydrogen-bonded Turntrans78.5-8-175.500000114.9R350R350-G352 PolarHBondContact O-N 3.26Å
353G85.7Confident92.2Very high8 Ų863 Ų638%0.08233%0.333CS..  trans-95.5166.4176.200000113.2E299 T349 R350 V351E299-G353 WeakPolarHBondContact OE2-CA 3.37Å; T349-G353 WeakPolarHBondContact CG2-O 3.34Å; R350-G353 PolarHBondContact O-N 3.02Å; V351-G353 PolarHBondContact O-N 3.38Å
354H87Confident92.3Very high178 Ų17861.8 Ų61.882%0.82433%0.326SS*.  trans-120.3-10176.5-62.4-58000113.6P356H354-P356 WeakPolarHBondContact O-CD 3.3Å
355Q89.3Confident92.5Very high146 Ų14656.9 Ų56.968%0.68230%0.304SS*.  trans-88.4116.4-178.4-171171.51100110.2
356P92.2Very high92.5Very high58 Ų5851.4 Ų51.438%0.37728%0.278SS..EExtended strand (participates in β ladder)trans-70.8140.5171.628.9-32.7000110.5E347 H354E347-P356 HydrophobicContact CB-CB 4.05Å; E347-P356 VanDerWaalsContact OE2-CB 3.31Å; E347-P356 WeakPolarHBondContact OE2-CB 3.39Å; H354-P356 WeakPolarHBondContact O-CD 3.3Å
357V91.5Very high92.6Very high43 Ų4345.5 Ų45.526%0.26125%0.252SS..EExtended strand (participates in β ladder)trans-113.2118.9177.2-179.40000108.7E316 E347 V348 V359E316-V357 HydrophobicContact CG-CG1 4.42Å; E347-V357 CarbonylContact C-O 3.54Å; E347-V357 VanDerWaalsContact CA-O 3.31Å; E347-V357 WeakPolarHBondContact CA-O 3.45Å; V348-V357 HydrophobicContact CG1-CB 4.07Å; V348-V357 PolarHBondContact N-O 2.55Å; V348-V357 PolarHBondContact O-N 2.91Å; V357-V359 PolarHBondContact O-N 2.81Å
358P94.2Very high92.5Very high85 Ų8546.3 Ų46.355%0.55226%0.256SS*.EExtended strand (participates in β ladder)trans-66.4131.4179.526.5-33.7000111.8E347E347-P358 HydrophobicContact CG-CB 4.41Å
359V93.3Very high92.5Very high10 Ų1047.4 Ų47.46%0.06126%0.264CS..  trans-129.9127.8-177.8-690000111.6H319 V342 K346 V348 V357 V361H319-V359 WeakPolarHBondContact ND1-CA 3.22Å; V342-V359 HydrophobicContact CG1-CG2 4.12Å; K346-V359 PolarHBondContact O-N 3.08Å; K346-V359 VanDerWaalsContact O-O 3.14Å; V348-V359 HydrophobicContact CB-CG1 4.49Å; V348-V359 HydrophobicContact CB-CG2 4.4Å; V348-V359 HydrophobicContact CG1-CG1 3.68Å; V348-V359 HydrophobicContact CG1-CG2 4.44Å; V357-V359 PolarHBondContact O-N 2.81Å; V359-V361 HydrophobicContact CB-CG2 4.14Å
360D91.6Very high92.6Very high101 Ų10149.1 Ų49.154%0.5427%0.271SS..  trans-109.3100.8171-174.225.3000108.6H319 G320H319-D360 PolarHBondContact CE1-N 2.92Å; H319-D360 PolarHBondContact ND1-N 2.77Å; G320-D360 PolarHBondContact N-O 3.06Å
361V93.4Very high92.7Very high27 Ų2746 Ų4616%0.16426%0.259CS..EExtended strand (participates in β ladder)trans-134126.7-171.4-179.20000109.4F315 A318 L323 V359 V363F315-V361 HydrophobicContact CD1-CG2 4.35Å; F315-V361 WeakPolarHBondContact O-CG2 3.4Å; A318-V361 HydrophobicContact CB-CG1 3.75Å; A318-V361 HydrophobicContact CB-CG2 4.02Å; L323-V361 HydrophobicContact CB-CG1 3.52Å; V359-V361 HydrophobicContact CB-CG2 4.14Å; V361-V363 HydrophobicContact CG1-CG2 4.35Å
362R94.8Very high92.9Very high13 Ų1350.1 Ų50.15%0.04928%0.276CS..EExtended strand (participates in β ladder)trans-76.9133.1166.3-176.9174.1-174.1-163.71.1109.3Y235 S238 G321 T322 L323Y235-R362 PolarHBondContact O-NH2 3.02Å; S238-R362 PolarHBondContact O-NH2 3.34Å; G321-R362 WeakPolarHBondContact O-CB 3.29Å; G321-R362 PolarHBondContact O-N 2.97Å; T322-R362 CarbonylContact C-O 3.57Å; T322-R362 WeakPolarHBondContact CA-O 3.42Å; T322-R362 WeakPolarHBondContact CG2-O 3.46Å; L323-R362 PolarHBondContact N-O 3.29Å
363V96.9Very high93.3Very high7 Ų750.6 Ų50.64%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-108.7130.7-179.6179.60000110.9A241 V242 L323 L325 L343 V361 L388A241-V363 WeakPolarHBondContact CA-O 3.34Å; V242-V363 PolarHBondContact N-O 3.36Å; L323-V363 WeakPolarHBondContact O-CA 3.33Å; L325-V363 HydrophobicContact CD1-CG1 3.98Å; L343-V363 HydrophobicContact CD2-CB 4.28Å; L343-V363 HydrophobicContact CD2-CG2 3.63Å; V361-V363 HydrophobicContact CG1-CG2 4.35Å; V363-L388 HydrophobicContact CG1-CD2 4.01Å
364I97.8Very high93.7Very high0 Ų052 Ų520%027%0.27CS..EExtended strand (participates in β ladder)trans-122.3129.3168.4-58.4178.3000106.2V242 I244 A256 I259 T322 L323 F324 L325V242-I364 HydrophobicContact CB-CG1 4.4Å; V242-I364 HydrophobicContact CB-CG2 4.33Å; V242-I364 CarbonylContact O-C 3.53Å; V242-I364 WeakPolarHBondContact O-CA 3.24Å; I244-I364 HydrophobicContact CD1-CG2 3.73Å; I244-I364 HydrophobicContact CG1-CG2 4.14Å; A256-I364 HydrophobicContact CB-CG2 3.87Å; I259-I364 HydrophobicContact CB-CD1 3.94Å; I259-I364 HydrophobicContact CG2-CD1 3.69Å; T322-I364 HydrophobicContact CG2-CB 4.38Å; T322-I364 HydrophobicContact CG2-CD1 3.71Å; T322-I364 HydrophobicContact CG2-CG1 3.77Å; L323-I364 PolarHBondContact O-N 2.83Å; F324-I364 CarbonylContact C-O 3.51Å; F324-I364 VanDerWaalsContact CA-O 3.24Å; F324-I364 WeakPolarHBondContact CA-O 3.17Å; F324-I364 HydrophobicContact CD2-CB 4.09Å; F324-I364 HydrophobicContact CD2-CG2 3.84Å; F324-I364 WeakPolarHBondContact CD2-O 3.17Å; F324-I364 HydrophobicContact CE2-CG2 4.18Å; L325-I364 PolarHBondContact N-O 3.04Å
365S97.6Very high94.1Very high1 Ų145 Ų451%0.00724%0.238CC..EExtended strand (participates in β ladder)trans-119150.3178.7-57.80000110V242 L243 I244 L325V242-S365 PolarHBondContact O-N 3.48Å; L243-S365 CarbonylContact C-O 3.46Å; L243-S365 WeakPolarHBondContact CA-O 3.39Å; I244-S365 PolarHBondContact N-O 3.45Å; L325-S365 CarbonylContact O-C 3.5Å; L325-S365 WeakPolarHBondContact O-CA 3.23Å
366A97Very high94.4Very high0 Ų045.8 Ų45.80%024%0.235CC..EExtended strand (participates in β ladder)trans-131.3146.3175.200000111.3I244 K252 F324 L325 E327 I328I244-A366 HydrophobicContact CB-CB 4.28Å; I244-A366 CarbonylContact O-C 3.44Å; I244-A366 VanDerWaalsContact O-CA 3.24Å; I244-A366 WeakPolarHBondContact O-CA 3.22Å; K252-A366 HydrophobicContact CB-CB 3.85Å; K252-A366 HydrophobicContact CD-CB 3.89Å; K252-A366 HydrophobicContact CG-CB 4.43Å; F324-A366 HydrophobicContact CE2-CB 3.53Å; F324-A366 HydrophobicContact CZ-CB 3.46Å; F324-A366 VanDerWaalsContact CZ-CB 3.46Å; L325-A366 PolarHBondContact O-N 3.33Å; E327-A366 CarbonylContact C-O 3.53Å; E327-A366 VanDerWaalsContact CA-O 3.28Å; E327-A366 WeakPolarHBondContact CA-O 3.37Å; E327-A366 PolarHBondContact N-O 3.45Å; I328-A366 PolarHBondContact N-O 3.39Å
367T96.1Very high94.5Very high1 Ų148.9 Ų48.91%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-149.9147.7177-1720000111.6L243 I244 E245 G246 C369 L371L243-T367 HydrophobicContact CD1-CG2 4.25Å; I244-T367 PolarHBondContact O-N 2.87Å; E245-T367 HydrophobicContact CG-CG2 4.26Å; G246-T367 PolarHBondContact N-O 2.96Å; T367-C369 PolarHBondContact OG1-N 3.33Å; T367-L371 HydrophobicContact CG2-CD1 3.96Å; T367-L371 HydrophobicContact CG2-CG 4.04Å
368H94.2Very high94.6Very high91 Ų9149 Ų4942%0.42125%0.254SS..SBendtrans-99-12.6163.173.7-66.1000113.4G246 E327 E330G246-H368 WeakPolarHBondContact O-CA 3.1Å; E327-H368 IonicContact OE1-ND1 3.46Å; E327-H368 IonicContact OE2-CE1 2.88Å; E327-H368 IonicContact OE2-CG 2.62Å; E327-H368 PolarHBondContact OE2-N 3.06Å; E327-H368 IonicContact OE2-ND1 3.32Å; E327-H368 PolarHBondContact OE2-ND1 3.09Å; E330-H368 IonicContact OE1-CE1 3.87Å
369C92.5Very high94.6Very high24 Ų2450.5 Ų50.516%0.16225%0.254CS..SBendtrans-79.6151.6-177.6-49.30000112T367 L371 D374T367-C369 PolarHBondContact OG1-N 3.33Å; C369-L371 PolarHBondContact O-N 3.17Å; C369-L371 VanDerWaalsContact O-N 3.14Å; C369-D374 WeakPolarHBondContact CB-OD2 3.4Å
370N94Very high94.7Very high95 Ų9550.3 Ų50.351%0.50825%0.252SS..  trans-80.191.6169.7-175-29.6000109.5E372 E373 D374N370-E372 PolarHBondContact O-N 3.05Å; N370-E372 VanDerWaalsContact O-N 3.11Å; N370-E372 WeakPolarHBondContact OD1-CB 3.45Å; N370-E372 PolarHBondContact OD1-N 3.01Å; N370-E372 VanDerWaalsContact OD1-N 3.07Å; N370-E373 HydrophobicContact CB-CB 4.24Å; N370-E373 PolarHBondContact O-N 3.08Å; N370-E373 PolarHBondContact OD1-N 2.82Å; N370-E373 VanDerWaalsContact OD1-N 3.11Å; N370-D374 PolarHBondContact O-N 3.08Å
371L93.2Very high95Very high3 Ų349.7 Ų49.72%0.01624%0.242CC..Hα-helixtrans-60.3-24-178-62.3-178.1000113.1L243 T367 C369 D374 M375 F380 F385L243-L371 HydrophobicContact CD1-CD1 4.32Å; L243-L371 HydrophobicContact CD2-CD1 4.04Å; T367-L371 HydrophobicContact CG2-CD1 3.96Å; T367-L371 HydrophobicContact CG2-CG 4.04Å; C369-L371 PolarHBondContact O-N 3.17Å; C369-L371 VanDerWaalsContact O-N 3.14Å; L371-D374 PolarHBondContact O-N 3.2Å; L371-M375 WeakPolarHBondContact O-CB 3.17Å; L371-M375 WeakPolarHBondContact O-CE 3.45Å; L371-M375 WeakPolarHBondContact O-CG 3.29Å; L371-M375 PolarHBondContact O-N 2.76Å; L371-F380 HydrophobicContact CD1-CE1 4.46Å; L371-F380 HydrophobicContact CD1-CZ 4.48Å; L371-F380 HydrophobicContact CD2-CD1 4.46Å; L371-F380 HydrophobicContact CD2-CD2 3.93Å; L371-F380 HydrophobicContact CD2-CE2 4.1Å; L371-F380 HydrophobicContact CD2-CG 4.12Å; L371-F380 HydrophobicContact CD2-CZ 4.43Å; L371-F385 HydrophobicContact CB-CD2 4.15Å; L371-F385 HydrophobicContact CB-CE2 4.13Å; L371-F385 HydrophobicContact CD1-CD2 3.94Å; L371-F385 HydrophobicContact CD1-CE2 4.14Å
372E92.4Very high95.1Very high108 Ų10856 Ų5651%0.50526%0.263SS..Hα-helixtrans-71.8-35.6176-59.7-174.4169.400112.6N370 M375 R376N370-E372 PolarHBondContact O-N 3.05Å; N370-E372 VanDerWaalsContact O-N 3.11Å; N370-E372 WeakPolarHBondContact OD1-CB 3.45Å; N370-E372 PolarHBondContact OD1-N 3.01Å; N370-E372 VanDerWaalsContact OD1-N 3.07Å; E372-M375 HydrophobicContact CB-CE 4.42Å; E372-M375 HydrophobicContact CG-CE 4.22Å; E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 3.26Å; E372-R376 PolarHBondContact O-NE 2.69Å
373E94.7Very high95.1Very high64 Ų6458.6 Ų58.630%0.29928%0.278SS..Hα-helixtrans-70.2-45.4169.4-171.663.4-126.400110.3N370 M375 R376 Q377N370-E373 HydrophobicContact CB-CB 4.24Å; N370-E373 PolarHBondContact O-N 3.08Å; N370-E373 PolarHBondContact OD1-N 2.82Å; N370-E373 VanDerWaalsContact OD1-N 3.11Å; E373-M375 VanDerWaalsContact C-N 3.26Å; E373-M375 PolarHBondContact O-N 3.05Å; E373-R376 CarbonylContact O-C 3.54Å; E373-R376 WeakPolarHBondContact O-CA 3.46Å; E373-R376 WeakPolarHBondContact O-CB 3.34Å; E373-R376 PolarHBondContact O-N 2.93Å; E373-R376 IonicContact OE1-CZ 3.21Å; E373-R376 IonicContact OE1-NH1 3.9Å; E373-R376 IonicContact OE2-CZ 3.59Å; E373-R376 IonicContact OE2-NE 3.37Å; E373-R376 IonicContact OE2-NH1 3.81Å; E373-R376 PolarHBondContact OE2-NH1 2.97Å; E373-R376 IonicContact OE2-NH2 2.69Å; E373-R376 PolarHBondContact OE2-NH2 3.25Å; E373-Q377 HydrophobicContact CG-CG 4.39Å; E373-Q377 WeakPolarHBondContact O-CG 3.49Å; E373-Q377 PolarHBondContact O-N 3.45Å; E373-Q377 PolarHBondContact OE1-NE2 3.06Å
374D94.6Very high95.1Very high37 Ų3758.2 Ų58.220%0.19828%0.276CS..Hα-helixtrans-61.1-36.1-179.8-61.7-27.1000112.1C369 N370 L371 Q377 G378 Q379 F380C369-D374 WeakPolarHBondContact CB-OD2 3.4Å; N370-D374 PolarHBondContact O-N 3.08Å; L371-D374 PolarHBondContact O-N 3.2Å; D374-Q377 CarbonylContact O-C 3.51Å; D374-Q377 PolarHBondContact O-N 2.86Å; D374-G378 PolarHBondContact O-N 3.11Å; D374-G378 VanDerWaalsContact O-N 3.09Å; D374-Q379 HydrophobicContact CB-CB 4.26Å; D374-Q379 PolarHBondContact O-N 3.06Å; D374-F380 HydrophobicContact CB-CB 3.83Å; D374-F380 PolarHBondContact O-N 3.29Å
375M95.3Very high95Very high32 Ų3258.6 Ų58.616%0.15828%0.277CS..Hα-helixtrans-65.3-38.8171.1-77.3-173.6-64.600112.5L371 E372 E373 Q377 G378 F380 R382 F385L371-M375 WeakPolarHBondContact O-CB 3.17Å; L371-M375 WeakPolarHBondContact O-CE 3.45Å; L371-M375 WeakPolarHBondContact O-CG 3.29Å; L371-M375 PolarHBondContact O-N 2.76Å; E372-M375 HydrophobicContact CB-CE 4.42Å; E372-M375 HydrophobicContact CG-CE 4.22Å; E373-M375 VanDerWaalsContact C-N 3.26Å; E373-M375 PolarHBondContact O-N 3.05Å; M375-Q377 VanDerWaalsContact C-N 3.31Å; M375-G378 PolarHBondContact O-N 2.67Å; M375-F380 WeakPolarHBondContact CA-O 3.19Å; M375-F380 HydrophobicContact CG-CB 4.12Å; M375-F380 HydrophobicContact CG-CD1 4.21Å; M375-F380 WeakPolarHBondContact CG-O 3.22Å; M375-R382 HydrophobicContact CB-CG 4.31Å; M375-R382 HydrophobicContact CG-CG 4.15Å; M375-R382 HydrophobicContact SD-CB 4.17Å; M375-R382 HydrophobicContact SD-CG 3.78Å; M375-F385 HydrophobicContact CE-CB 4.46Å; M375-F385 HydrophobicContact CE-CD1 3.66Å; M375-F385 HydrophobicContact CE-CD2 4.2Å; M375-F385 HydrophobicContact CE-CE1 3.77Å; M375-F385 HydrophobicContact CE-CE2 4.32Å; M375-F385 HydrophobicContact CE-CG 3.85Å; M375-F385 HydrophobicContact CE-CZ 4.09Å; M375-F385 HydrophobicContact SD-CB 3.65Å; M375-F385 HydrophobicContact SD-CD1 3.74Å; M375-F385 HydrophobicContact SD-CD2 4.43Å; M375-F385 HydrophobicContact SD-CE1 4.46Å; M375-F385 HydrophobicContact SD-CG 3.7Å
376R94.3Very high94.9Very high162 Ų16265.1 Ų65.161%0.61130%0.303SS*.Hα-helixtrans-66.9-33.8176-78.5-176.7-80.6135-3.1112E372 E373 G378E372-R376 WeakPolarHBondContact O-CG 3.43Å; E372-R376 PolarHBondContact O-N 3.26Å; E372-R376 PolarHBondContact O-NE 2.69Å; E373-R376 CarbonylContact O-C 3.54Å; E373-R376 WeakPolarHBondContact O-CA 3.46Å; E373-R376 WeakPolarHBondContact O-CB 3.34Å; E373-R376 PolarHBondContact O-N 2.93Å; E373-R376 IonicContact OE1-CZ 3.21Å; E373-R376 IonicContact OE1-NH1 3.9Å; E373-R376 IonicContact OE2-CZ 3.59Å; E373-R376 IonicContact OE2-NE 3.37Å; E373-R376 IonicContact OE2-NH1 3.81Å; E373-R376 PolarHBondContact OE2-NH1 2.97Å; E373-R376 IonicContact OE2-NH2 2.69Å; E373-R376 PolarHBondContact OE2-NH2 3.25Å; R376-G378 VanDerWaalsContact C-N 3.3Å
377Q95.4Very high94.8Very high122 Ų12270.1 Ų70.157%0.5732%0.322SS*.THydrogen-bonded Turntrans-83.8-1.4175.8-57.8-54.5-34.500113.8E373 D374 M375 Q379E373-Q377 HydrophobicContact CG-CG 4.39Å; E373-Q377 WeakPolarHBondContact O-CG 3.49Å; E373-Q377 PolarHBondContact O-N 3.45Å; E373-Q377 PolarHBondContact OE1-NE2 3.06Å; D374-Q377 CarbonylContact O-C 3.51Å; D374-Q377 PolarHBondContact O-N 2.86Å; M375-Q377 VanDerWaalsContact C-N 3.31Å; Q377-Q379 VanDerWaalsContact C-N 3.25Å; Q377-Q379 HydrophobicContact CB-CG 4.18Å; Q377-Q379 PolarHBondContact O-N 3.03Å
378G93.1Very high94.8Very high45 Ų4570.2 Ų70.246%0.46432%0.322SS..THydrogen-bonded Turntrans71.514.8-179.200000114.8D374 M375 R376D374-G378 PolarHBondContact O-N 3.11Å; D374-G378 VanDerWaalsContact O-N 3.09Å; M375-G378 PolarHBondContact O-N 2.67Å; R376-G378 VanDerWaalsContact C-N 3.3Å
379Q93.8Very high94.8Very high118 Ų11866.3 Ų66.355%0.55131%0.305SS*.SBendtrans-85.9-20177.7-61.6-57.9-37.500112.7L333 Q336 D374 Q377L333-Q379 VanDerWaalsContact CD2-O 3.32Å; L333-Q379 WeakPolarHBondContact CD2-O 3.28Å; Q336-Q379 PolarHBondContact NE2-O 2.88Å; D374-Q379 HydrophobicContact CB-CB 4.26Å; D374-Q379 PolarHBondContact O-N 3.06Å; Q377-Q379 VanDerWaalsContact C-N 3.25Å; Q377-Q379 HydrophobicContact CB-CG 4.18Å; Q377-Q379 PolarHBondContact O-N 3.03Å
380F96.8Very high95.1Very high5 Ų569.8 Ų69.82%0.02232%0.321CS..SBendtrans-128.1136.1176.2-156.7-94000111.6I328 L371 D374 M375 L384 F385 L388I328-F380 HydrophobicContact CG1-CE2 4.24Å; I328-F380 HydrophobicContact CG1-CZ 4.27Å; L371-F380 HydrophobicContact CD1-CE1 4.46Å; L371-F380 HydrophobicContact CD1-CZ 4.48Å; L371-F380 HydrophobicContact CD2-CD1 4.46Å; L371-F380 HydrophobicContact CD2-CD2 3.93Å; L371-F380 HydrophobicContact CD2-CE2 4.1Å; L371-F380 HydrophobicContact CD2-CG 4.12Å; L371-F380 HydrophobicContact CD2-CZ 4.43Å; D374-F380 HydrophobicContact CB-CB 3.83Å; D374-F380 PolarHBondContact O-N 3.29Å; M375-F380 WeakPolarHBondContact CA-O 3.19Å; M375-F380 HydrophobicContact CG-CB 4.12Å; M375-F380 HydrophobicContact CG-CD1 4.21Å; M375-F380 WeakPolarHBondContact CG-O 3.22Å; F380-L384 HydrophobicContact CE1-CD2 4.43Å; F380-L384 HydrophobicContact CE1-CG 4.42Å; F380-L384 HydrophobicContact CE2-CD2 4.48Å; F380-L384 HydrophobicContact CZ-CD2 3.95Å; F380-L384 HydrophobicContact CZ-CG 4.26Å; F380-F385 HydrophobicContact CD1-CB 4.04Å; F380-F385 HydrophobicContact CE1-CB 3.78Å; F380-L388 HydrophobicContact CZ-CD1 4.41Å
381R96.3Very high95.2Very high88 Ų8866.9 Ų66.933%0.33231%0.305SS..  trans-79.1133.4-179.5-58.2179.461109.37.2112.1L333 Q336 T337 D383 L384 F385L333-R381 HydrophobicContact CD2-CG 4.1Å; Q336-R381 HydrophobicContact CB-CG 4.45Å; T337-R381 PolarHBondContact OG1-NH1 2.96Å; T337-R381 VanDerWaalsContact OG1-NH1 3.07Å; R381-D383 WeakPolarHBondContact CB-OD1 3.32Å; R381-D383 IonicContact CZ-OD1 3.67Å; R381-D383 IonicContact CZ-OD2 2.91Å; R381-D383 IonicContact NE-OD1 3.38Å; R381-D383 PolarHBondContact NE-OD1 3.29Å; R381-D383 VanDerWaalsContact NE-OD1 3.11Å; R381-D383 IonicContact NE-OD2 2.95Å; R381-D383 PolarHBondContact NE-OD2 3.3Å; R381-D383 IonicContact NH2-OD1 2.82Å; R381-D383 IonicContact NH2-OD2 3.66Å; R381-D383 PolarHBondContact NH2-OD2 2.82Å; R381-L384 HydrophobicContact CB-CB 4.26Å; R381-F385 PolarHBondContact O-N 2.96Å; R381-F385 VanDerWaalsContact O-N 3.08Å
382R96Very high95.4Very high161 Ų16171.2 Ų71.261%0.60832%0.322SS*.Hα-helixtrans-64.8-40.2-180-6317971.6-168.64.1113.1M375 F385 Y386M375-R382 HydrophobicContact CB-CG 4.31Å; M375-R382 HydrophobicContact CG-CG 4.15Å; M375-R382 HydrophobicContact SD-CB 4.17Å; M375-R382 HydrophobicContact SD-CG 3.78Å; R382-F385 WeakPolarHBondContact O-CB 3.37Å; R382-F385 PolarHBondContact O-N 3.24Å; R382-Y386 HydrophobicContact CB-CE2 4.28Å; R382-Y386 WeakPolarHBondContact O-CD2 3.38Å; R382-Y386 PolarHBondContact O-N 3.43Å; R382-Y386 VanDerWaalsContact O-N 3.15Å
383D95.2Very high95.6Very high66 Ų6666.3 Ų66.335%0.35330%0.299SS..Hα-helixtrans-61.5-47.917947.913.9000111.7L340 R381 F385 Y386 R387L340-D383 HydrophobicContact CD2-CB 4.02Å; L340-D383 VanDerWaalsContact CD2-CG 3.42Å; L340-D383 WeakPolarHBondContact CD2-OD2 3.22Å; R381-D383 WeakPolarHBondContact CB-OD1 3.32Å; R381-D383 IonicContact CZ-OD1 3.67Å; R381-D383 IonicContact CZ-OD2 2.91Å; R381-D383 IonicContact NE-OD1 3.38Å; R381-D383 PolarHBondContact NE-OD1 3.29Å; R381-D383 VanDerWaalsContact NE-OD1 3.11Å; R381-D383 IonicContact NE-OD2 2.95Å; R381-D383 PolarHBondContact NE-OD2 3.3Å; R381-D383 IonicContact NH2-OD1 2.82Å; R381-D383 IonicContact NH2-OD2 3.66Å; R381-D383 PolarHBondContact NH2-OD2 2.82Å; D383-F385 PolarHBondContact O-N 2.88Å; D383-Y386 PolarHBondContact O-N 3.02Å; D383-R387 PolarHBondContact O-N 3.03Å
384L96.8Very high95.7Very high0 Ų068.8 Ų68.80%031%0.31CS..Hα-helixtrans-61.2-43.8174.9-179.163.1000111.7Q336 L339 L340 L343 F380 R381 Y386 R387 L388Q336-L384 HydrophobicContact CB-CD2 3.62Å; Q336-L384 HydrophobicContact CG-CD2 3.82Å; L339-L384 HydrophobicContact CD2-CD1 4.08Å; L339-L384 HydrophobicContact CD2-CD2 4.19Å; L339-L384 HydrophobicContact CG-CD1 4.07Å; L340-L384 HydrophobicContact CB-CD1 4.29Å; L340-L384 HydrophobicContact CD1-CD1 4.49Å; L343-L384 HydrophobicContact CD1-CD1 3.79Å; F380-L384 HydrophobicContact CE1-CD2 4.43Å; F380-L384 HydrophobicContact CE1-CG 4.42Å; F380-L384 HydrophobicContact CE2-CD2 4.48Å; F380-L384 HydrophobicContact CZ-CD2 3.95Å; F380-L384 HydrophobicContact CZ-CG 4.26Å; R381-L384 HydrophobicContact CB-CB 4.26Å; L384-Y386 PolarHBondContact O-N 2.97Å; L384-R387 PolarHBondContact O-N 2.91Å; L384-R387 VanDerWaalsContact O-N 3.16Å; L384-L388 HydrophobicContact CD1-CD1 3.86Å; L384-L388 HydrophobicContact CD1-CG 3.94Å; L384-L388 HydrophobicContact CD2-CD1 4.34Å; L384-L388 HydrophobicContact CG-CD1 3.8Å; L384-L388 HydrophobicContact CG-CG 4.25Å; L384-L388 WeakPolarHBondContact O-CG 3.06Å; L384-L388 PolarHBondContact O-N 2.91Å
385F96.6Very high95.8Very high8 Ų867.3 Ų67.34%0.03530%0.302CS..Hα-helixtrans-55.5-49.5177.7173.5-105.7000112.4L243 L371 M375 F380 R381 R382 D383 R387 L388 S389L243-F385 HydrophobicContact CD2-CE2 4.18Å; L371-F385 HydrophobicContact CB-CD2 4.15Å; L371-F385 HydrophobicContact CB-CE2 4.13Å; L371-F385 HydrophobicContact CD1-CD2 3.94Å; L371-F385 HydrophobicContact CD1-CE2 4.14Å; M375-F385 HydrophobicContact CE-CB 4.46Å; M375-F385 HydrophobicContact CE-CD1 3.66Å; M375-F385 HydrophobicContact CE-CD2 4.2Å; M375-F385 HydrophobicContact CE-CE1 3.77Å; M375-F385 HydrophobicContact CE-CE2 4.32Å; M375-F385 HydrophobicContact CE-CG 3.85Å; M375-F385 HydrophobicContact CE-CZ 4.09Å; M375-F385 HydrophobicContact SD-CB 3.65Å; M375-F385 HydrophobicContact SD-CD1 3.74Å; M375-F385 HydrophobicContact SD-CD2 4.43Å; M375-F385 HydrophobicContact SD-CE1 4.46Å; M375-F385 HydrophobicContact SD-CG 3.7Å; F380-F385 HydrophobicContact CD1-CB 4.04Å; F380-F385 HydrophobicContact CE1-CB 3.78Å; R381-F385 PolarHBondContact O-N 2.96Å; R381-F385 VanDerWaalsContact O-N 3.08Å; R382-F385 WeakPolarHBondContact O-CB 3.37Å; R382-F385 PolarHBondContact O-N 3.24Å; D383-F385 PolarHBondContact O-N 2.88Å; F385-R387 VanDerWaalsContact C-N 3.25Å; F385-R387 PolarHBondContact O-N 3.01Å; F385-L388 PolarHBondContact O-N 3.28Å; F385-S389 WeakPolarHBondContact O-CB 3.3Å; F385-S389 PolarHBondContact O-N 3.28Å; F385-S389 PolarHBondContact O-OG 3.35Å
386Y95.7Very high95.8Very high137 Ų13766.6 Ų66.654%0.53730%0.3SS..Hα-helixtrans-65.9-28.6-179.5-66.5-57.8000113.1R382 D383 L384R382-Y386 HydrophobicContact CB-CE2 4.28Å; R382-Y386 WeakPolarHBondContact O-CD2 3.38Å; R382-Y386 PolarHBondContact O-N 3.43Å; R382-Y386 VanDerWaalsContact O-N 3.15Å; D383-Y386 PolarHBondContact O-N 3.02Å; L384-Y386 PolarHBondContact O-N 2.97Å
387R94.8Very high95.9Very high105 Ų10559.2 Ų59.240%0.39627%0.273SS..Hα-helixtrans-74.8-37.9176.1-167.968.5169.9-150-4.4112.6A241 L343 D383 L384 F385 I390A241-R387 WeakPolarHBondContact CB-O 3.17Å; L343-R387 HydrophobicContact CB-CG 4.26Å; L343-R387 HydrophobicContact CD1-CG 4.22Å; L343-R387 PolarHBondContact O-NH2 2.9Å; D383-R387 PolarHBondContact O-N 3.03Å; L384-R387 PolarHBondContact O-N 2.91Å; L384-R387 VanDerWaalsContact O-N 3.16Å; F385-R387 VanDerWaalsContact C-N 3.25Å; F385-R387 PolarHBondContact O-N 3.01Å; R387-I390 WeakPolarHBondContact O-CD1 3.38Å; R387-I390 WeakPolarHBondContact O-CG1 3.43Å
388L96Very high95.9Very high3 Ų353.4 Ų53.42%0.01625%0.246CC..Hα-helixtrans-80.2-31180-67.6179.2000112.8I328 L343 V363 F380 L384 F385 I390I328-L388 HydrophobicContact CD1-CD1 4.49Å; I328-L388 HydrophobicContact CG1-CD1 3.88Å; L343-L388 HydrophobicContact CD1-CD2 3.69Å; L343-L388 HydrophobicContact CD1-CG 4.38Å; V363-L388 HydrophobicContact CG1-CD2 4.01Å; F380-L388 HydrophobicContact CZ-CD1 4.41Å; L384-L388 HydrophobicContact CD1-CD1 3.86Å; L384-L388 HydrophobicContact CD1-CG 3.94Å; L384-L388 HydrophobicContact CD2-CD1 4.34Å; L384-L388 HydrophobicContact CG-CD1 3.8Å; L384-L388 HydrophobicContact CG-CG 4.25Å; L384-L388 WeakPolarHBondContact O-CG 3.06Å; L384-L388 PolarHBondContact O-N 2.91Å; F385-L388 PolarHBondContact O-N 3.28Å; L388-I390 PolarHBondContact O-N 3.33Å
389S94.6Very high95.9Very high9 Ų955.4 Ų55.46%0.06324%0.24CC..  trans-94.831.2-170.270.50000114.9F385 R392F385-S389 WeakPolarHBondContact O-CB 3.3Å; F385-S389 PolarHBondContact O-N 3.28Å; F385-S389 PolarHBondContact O-OG 3.35Å; S389-R392 PolarHBondContact O-NE 3.4Å; S389-R392 PolarHBondContact OG-NH2 2.91Å
390I96.8Very high95.9Very high98 Ų9854.9 Ų54.950%0.50324%0.237SC..SBendtrans-63.7-48.5179.2-59.2170.3000110.6A240 A241 R387 L388A240-I390 HydrophobicContact CB-CB 4.38Å; A240-I390 HydrophobicContact CB-CD1 4.5Å; A240-I390 HydrophobicContact CB-CG2 3.88Å; A241-I390 HydrophobicContact CB-CD1 4.26Å; R387-I390 WeakPolarHBondContact O-CD1 3.38Å; R387-I390 WeakPolarHBondContact O-CG1 3.43Å; L388-I390 PolarHBondContact O-N 3.33Å
391L97.8Very high95.7Very high34 Ų3455 Ų5518%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-114.7127.3172.7-59.6178.2000108.2Y235 A240 A241 V242 L243Y235-L391 HydrophobicContact CD1-CB 4.23Å; Y235-L391 HydrophobicContact CD1-CD1 4Å; Y235-L391 HydrophobicContact CD1-CD2 4.11Å; Y235-L391 HydrophobicContact CD1-CG 4.35Å; Y235-L391 HydrophobicContact CD2-CB 3.96Å; Y235-L391 HydrophobicContact CE1-CB 4.19Å; Y235-L391 HydrophobicContact CE1-CD2 4.03Å; Y235-L391 HydrophobicContact CE2-CB 3.92Å; Y235-L391 HydrophobicContact CG-CB 4.12Å; Y235-L391 HydrophobicContact CG-CD1 3.96Å; A240-L391 HydrophobicContact CB-CD1 3.95Å; A240-L391 HydrophobicContact CB-CG 4.12Å; A241-L391 PolarHBondContact O-N 2.9Å; A241-L391 VanDerWaalsContact O-N 3.09Å; V242-L391 CarbonylContact C-O 3.49Å; V242-L391 VanDerWaalsContact CA-O 3.31Å; V242-L391 WeakPolarHBondContact CA-O 3.48Å; V242-L391 HydrophobicContact CB-CB 4.48Å; V242-L391 HydrophobicContact CG1-CB 4.42Å; V242-L391 HydrophobicContact CG2-CB 4.08Å; V242-L391 HydrophobicContact CG2-CD1 4.09Å; L243-L391 PolarHBondContact N-O 3.31Å
392R97.2Very high95.5Very high94 Ų9453.9 Ų53.936%0.35524%0.24SC..EExtended strand (participates in β ladder)trans-115.5124.4-175.8-59.8-174.1-172.9-165.1-4.6111.2Y235 L243 S389Y235-R392 VanDerWaalsContact CE2-O 3.31Å; Y235-R392 WeakPolarHBondContact CE2-O 3.42Å; Y235-R392 PolarHBondContact OH-O 3.18Å; L243-R392 CarbonylContact O-C 3.55Å; L243-R392 WeakPolarHBondContact O-CA 3.33Å; S389-R392 PolarHBondContact O-NE 3.4Å; S389-R392 PolarHBondContact OG-NH2 2.91Å
393L97.1Very high95.3Very high4 Ų449.8 Ų49.82%0.02124%0.241CC..EExtended strand (participates in β ladder)trans-116108.5177.4179.265.6000108.9V228 T231 I232 Y235 L243 I244 E245 A255 I259 L395V228-L393 HydrophobicContact CG1-CD1 4.34Å; T231-L393 HydrophobicContact CG2-CD1 3.74Å; I232-L393 HydrophobicContact CD1-CD2 3.99Å; I232-L393 HydrophobicContact CG1-CD1 4.45Å; I232-L393 HydrophobicContact CG1-CD2 3.7Å; Y235-L393 HydrophobicContact CD2-CB 4.44Å; Y235-L393 HydrophobicContact CE2-CB 4.02Å; L243-L393 PolarHBondContact O-N 2.98Å; I244-L393 CarbonylContact C-O 3.58Å; I244-L393 WeakPolarHBondContact CA-O 3.27Å; I244-L393 HydrophobicContact CG1-CB 4.37Å; I244-L393 HydrophobicContact CG1-CD2 4.32Å; I244-L393 HydrophobicContact CG2-CD2 4.4Å; E245-L393 PolarHBondContact N-O 3.4Å; A255-L393 HydrophobicContact CB-CD2 4.05Å; I259-L393 HydrophobicContact CD1-CD2 4.15Å; L393-L395 HydrophobicContact CD2-CD2 4.25Å; L393-L395 HydrophobicContact CG-CD2 4.3Å
394Q96.2Very high95.2Very high116 Ų11646.8 Ų46.854%0.54223%0.225SC..EExtended strand (participates in β ladder)trans-84.7124.2171-170.868.932.200109.5E245E245-Q394 CarbonylContact O-C 3.58Å; E245-Q394 WeakPolarHBondContact O-CA 3.43Å
395L96.4Very high95.2Very high7 Ų746.8 Ų46.84%0.03723%0.225CC..PPolyproline II helixtrans-92.2125.1168.3-65.3-174000109.7V228 I244 E245 K252 A255 L393V228-L395 HydrophobicContact CG1-CD2 3.63Å; V228-L395 HydrophobicContact CG2-CD2 4.12Å; I244-L395 HydrophobicContact CG2-CD1 3.94Å; I244-L395 HydrophobicContact CG2-CG 3.95Å; E245-L395 PolarHBondContact O-N 3.41Å; K252-L395 HydrophobicContact CB-CD1 4.42Å; K252-L395 HydrophobicContact CG-CD1 4.01Å; A255-L395 HydrophobicContact CB-CD1 4.23Å; A255-L395 HydrophobicContact CB-CD2 4.34Å; L393-L395 HydrophobicContact CD2-CD2 4.25Å; L393-L395 HydrophobicContact CG-CD2 4.3Å
396P95.2Very high95Very high16 Ų1647.4 Ų47.410%0.10423%0.229CC..PPolyproline II helixtrans-70.2141.7178.730.4-35.7000110.5Q224 M225 E400Q224-P396 HydrophobicContact CB-CB 4.37Å; Q224-P396 HydrophobicContact CB-CG 4.01Å; M225-P396 HydrophobicContact SD-CG 4.47Å; P396-E400 HydrophobicContact CB-CB 4.39Å
397P96Very high94.9Very high7 Ų744.1 Ų44.15%0.04522%0.224CC..PPolyproline II helixtrans-64.9158.2169.130.2-35.5000111R399 E400 N447P397-R399 VanDerWaalsContact C-N 3.26Å; P397-R399 HydrophobicContact CB-CG 4.23Å; P397-R399 HydrophobicContact CG-CG 4.18Å; P397-R399 PolarHBondContact O-N 3.08Å; P397-E400 VanDerWaalsContact CD-CD 3.5Å; P397-E400 HydrophobicContact CG-CB 4.26Å; P397-E400 HydrophobicContact CG-CG 3.83Å; P397-E400 WeakPolarHBondContact CG-OE1 3.3Å; P397-E400 PolarHBondContact O-N 3.36Å; P397-N447 WeakPolarHBondContact CA-OD1 3.42Å; P397-N447 WeakPolarHBondContact CB-OD1 3.4Å
398L95.6Very high94.9Very high1 Ų139.3 Ų39.31%0.00521%0.206CC..G310 helixtrans-60.3-36.2-173.9-17858.3000112.3E400 R401 I405 L408 W444 N447 L451L398-E400 VanDerWaalsContact C-N 3.25Å; L398-E400 PolarHBondContact O-N 3.39Å; L398-R401 HydrophobicContact CD1-CG 4.14Å; L398-R401 CarbonylContact O-C 3.5Å; L398-R401 VanDerWaalsContact O-CG 3.3Å; L398-R401 WeakPolarHBondContact O-CG 3.48Å; L398-R401 PolarHBondContact O-N 3.27Å; L398-I405 HydrophobicContact CD1-CG1 3.79Å; L398-I405 HydrophobicContact CD2-CG1 4.49Å; L398-I405 HydrophobicContact CG-CD1 4.45Å; L398-I405 HydrophobicContact CG-CG1 3.89Å; L398-L408 HydrophobicContact CD1-CD1 3.96Å; L398-W444 HydrophobicContact CB-CB 4.03Å; L398-W444 HydrophobicContact CB-CG 4.4Å; L398-W444 HydrophobicContact CD2-CB 3.93Å; L398-W444 HydrophobicContact CD2-CD2 3.8Å; L398-W444 HydrophobicContact CD2-CE3 4.3Å; L398-W444 HydrophobicContact CD2-CG 3.61Å; L398-W444 HydrophobicContact CG-CB 4.25Å; L398-W444 HydrophobicContact CG-CG 4.08Å; L398-N447 HydrophobicContact CB-CB 4.34Å; L398-N447 PolarHBondContact N-OD1 3.11Å; L398-L451 HydrophobicContact CD2-CB 4.09Å; L398-L451 HydrophobicContact CD2-CD2 4Å
399R94Very high94.8Very high87 Ų8739.2 Ų39.233%0.32821%0.205SC..G310 helixtrans-62.3-24.4175.964.4-175.2-179.8-82.2-5.9114.6E247 P397 R401 V402 D443E247-R399 IonicContact OE1-CZ 3.82Å; E247-R399 IonicContact OE1-NH1 3.41Å; E247-R399 PolarHBondContact OE1-NH1 3.31Å; E247-R399 VanDerWaalsContact OE1-NH1 3.13Å; E247-R399 IonicContact OE1-NH2 3.11Å; E247-R399 PolarHBondContact OE1-NH2 2.9Å; E247-R399 IonicContact OE2-CZ 3.94Å; E247-R399 IonicContact OE2-NH1 3.81Å; E247-R399 PolarHBondContact OE2-NH1 3.35Å; E247-R399 IonicContact OE2-NH2 3.96Å; P397-R399 VanDerWaalsContact C-N 3.26Å; P397-R399 HydrophobicContact CB-CG 4.23Å; P397-R399 HydrophobicContact CG-CG 4.18Å; P397-R399 PolarHBondContact O-N 3.08Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R399-V402 VanDerWaalsContact O-CG2 3.28Å; R399-V402 WeakPolarHBondContact O-CG2 3.36Å; R399-D443 WeakPolarHBondContact CD-O 3.27Å
400E93.6Very high94.8Very high106 Ų10640.2 Ų40.250%0.49521%0.209SC..G310 helixtrans-83.3-12.1175.8-74.1176.1-153.200112.9Q224 P396 P397 L398Q224-E400 PolarHBondContact NE2-O 3.5Å; P396-E400 HydrophobicContact CB-CB 4.39Å; P397-E400 VanDerWaalsContact CD-CD 3.5Å; P397-E400 HydrophobicContact CG-CB 4.26Å; P397-E400 HydrophobicContact CG-CG 3.83Å; P397-E400 WeakPolarHBondContact CG-OE1 3.3Å; P397-E400 PolarHBondContact O-N 3.36Å; L398-E400 VanDerWaalsContact C-N 3.25Å; L398-E400 PolarHBondContact O-N 3.39Å
401R93Very high94.5Very high7 Ų737.1 Ų37.13%0.02620%0.196CC..G310 helixtrans-12151.8-179.859.4178.7-161.9156.619111.4S222 M225 L398 R399 A403 D404S222-R401 WeakPolarHBondContact OG-CB 3.35Å; M225-R401 PolarHBondContact SD-NH1 3.47Å; L398-R401 HydrophobicContact CD1-CG 4.14Å; L398-R401 CarbonylContact O-C 3.5Å; L398-R401 VanDerWaalsContact O-CG 3.3Å; L398-R401 WeakPolarHBondContact O-CG 3.48Å; L398-R401 PolarHBondContact O-N 3.27Å; R399-R401 VanDerWaalsContact C-N 3.33Å; R401-A403 PolarHBondContact O-N 3.44Å; R401-A403 VanDerWaalsContact O-N 3.08Å; R401-D404 HydrophobicContact CG-CB 4.41Å; R401-D404 WeakPolarHBondContact O-CB 3.45Å; R401-D404 PolarHBondContact O-N 2.9Å
402V91.3Very high94.3Very high65 Ų6537 Ų3739%0.39419%0.194SC..Hα-helixtrans-46.1-42.8-176.21780000113.6R399 D404 I405 V440R399-V402 VanDerWaalsContact O-CG2 3.28Å; R399-V402 WeakPolarHBondContact O-CG2 3.36Å; V402-D404 PolarHBondContact O-N 3.24Å; V402-D404 VanDerWaalsContact O-N 3.08Å; V402-I405 HydrophobicContact CG1-CD1 4.48Å; V402-I405 WeakPolarHBondContact O-CB 3.28Å; V402-I405 WeakPolarHBondContact O-CG1 3.44Å; V402-I405 PolarHBondContact O-N 3.27Å; V402-V440 HydrophobicContact CG1-CB 4.11Å; V402-V440 HydrophobicContact CG1-CG1 3.33Å; V402-V440 HydrophobicContact CG1-CG2 3.8Å
403A91.8Very high94.1Very high76 Ų7632.5 Ų32.563%0.62818%0.177SC*.Hα-helixtrans-59.7-21179.800000114R401 P407R401-A403 PolarHBondContact O-N 3.44Å; R401-A403 VanDerWaalsContact O-N 3.08Å; A403-P407 WeakPolarHBondContact O-CD 3.49Å
404D93.8Very high93.8Very high2 Ų236 Ų361%0.01119%0.193CC..Hα-helixtrans-87.9-19.1179.5-63.8-23.6000112.9G220 Q221 S222 M225 R401 V402 L406 P407 L408G220-D404 WeakPolarHBondContact CA-OD1 3.33Å; G220-D404 WeakPolarHBondContact CA-OD2 3.26Å; Q221-D404 PolarHBondContact N-OD1 2.86Å; S222-D404 WeakPolarHBondContact CB-OD2 3.43Å; S222-D404 PolarHBondContact N-OD1 2.99Å; S222-D404 PolarHBondContact OG-OD2 3.28Å; M225-D404 WeakPolarHBondContact CG-OD2 3.22Å; R401-D404 HydrophobicContact CG-CB 4.41Å; R401-D404 WeakPolarHBondContact O-CB 3.45Å; R401-D404 PolarHBondContact O-N 2.9Å; V402-D404 PolarHBondContact O-N 3.24Å; V402-D404 VanDerWaalsContact O-N 3.08Å; D404-L406 PolarHBondContact O-N 3.43Å; D404-P407 WeakPolarHBondContact O-CD 3.5Å; D404-L408 HydrophobicContact CB-CD1 3.87Å; D404-L408 HydrophobicContact CB-CG 4.39Å; D404-L408 WeakPolarHBondContact O-CB 3.41Å; D404-L408 WeakPolarHBondContact O-CD1 3.43Å; D404-L408 WeakPolarHBondContact O-CG 3.41Å; D404-L408 PolarHBondContact O-N 3.44Å
405I95Very high93.5Very high0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-59.2-53.1-171.1-63.7173.9000111.1L398 V402 L408 A409 L439 W444L398-I405 HydrophobicContact CD1-CG1 3.79Å; L398-I405 HydrophobicContact CD2-CG1 4.49Å; L398-I405 HydrophobicContact CG-CD1 4.45Å; L398-I405 HydrophobicContact CG-CG1 3.89Å; V402-I405 HydrophobicContact CG1-CD1 4.48Å; V402-I405 WeakPolarHBondContact O-CB 3.28Å; V402-I405 WeakPolarHBondContact O-CG1 3.44Å; V402-I405 PolarHBondContact O-N 3.27Å; I405-L408 PolarHBondContact O-N 3.14Å; I405-A409 WeakPolarHBondContact O-CB 3.32Å; I405-A409 PolarHBondContact O-N 3.31Å; I405-L439 HydrophobicContact CG2-CB 4.05Å; I405-W444 HydrophobicContact CG2-CZ2 4.24Å
406L93.9Very high93.2Very high22 Ų2235.5 Ų35.512%0.11520%0.198CC..Hα-helixtrans-67.8-48.1-176.5178.668.2000112.8D404 L408 A409 E410 L432 Q433 E436 L439D404-L406 PolarHBondContact O-N 3.43Å; L406-L408 VanDerWaalsContact C-N 3.29Å; L406-L408 PolarHBondContact O-N 3.06Å; L406-A409 PolarHBondContact O-N 3.4Å; L406-E410 PolarHBondContact O-N 3.03Å; L406-L432 HydrophobicContact CD1-CD2 4.22Å; L406-L432 HydrophobicContact CD1-CG 3.89Å; L406-Q433 HydrophobicContact CD2-CG 4.21Å; L406-E436 HydrophobicContact CD2-CB 4.34Å; L406-E436 HydrophobicContact CD2-CG 4.13Å; L406-L439 HydrophobicContact CD1-CD1 4.49Å
407P92.5Very high92.9Very high68 Ų6834.8 Ų34.844%0.44219%0.193SC..Hα-helixtrans-57.4-39.4173.3-26.734.6000113.6A403 D404 S411A403-P407 WeakPolarHBondContact O-CD 3.49Å; D404-P407 WeakPolarHBondContact O-CD 3.5Å; P407-S411 WeakPolarHBondContact O-CB 3.41Å; P407-S411 PolarHBondContact O-N 2.84Å
408L94.4Very high92.5Very high4 Ų437.8 Ų37.82%0.02122%0.218CC..Hα-helixtrans-65.5-47.2176-73170000111.2L219 L398 D404 I405 L406 E410 S411 F412 L451L219-L408 HydrophobicContact CB-CD2 3.35Å; L219-L408 HydrophobicContact CD1-CD2 4.04Å; L219-L408 HydrophobicContact CG-CD2 4.35Å; L398-L408 HydrophobicContact CD1-CD1 3.96Å; D404-L408 HydrophobicContact CB-CD1 3.87Å; D404-L408 HydrophobicContact CB-CG 4.39Å; D404-L408 WeakPolarHBondContact O-CB 3.41Å; D404-L408 WeakPolarHBondContact O-CD1 3.43Å; D404-L408 WeakPolarHBondContact O-CG 3.41Å; D404-L408 PolarHBondContact O-N 3.44Å; I405-L408 PolarHBondContact O-N 3.14Å; L406-L408 VanDerWaalsContact C-N 3.29Å; L406-L408 PolarHBondContact O-N 3.06Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.92Å; L408-S411 PolarHBondContact O-N 3.4Å; L408-S411 VanDerWaalsContact O-N 3.13Å; L408-S411 PolarHBondContact O-OG 2.95Å; L408-F412 HydrophobicContact CB-CD2 4.49Å; L408-F412 HydrophobicContact CB-CE2 4.1Å; L408-F412 HydrophobicContact CD2-CE2 4.34Å; L408-F412 HydrophobicContact CD2-CZ 4.19Å; L408-F412 VanDerWaalsContact O-CD2 3.28Å; L408-F412 WeakPolarHBondContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CG 3.36Å; L408-F412 PolarHBondContact O-N 3.27Å; L408-L451 HydrophobicContact CB-CD2 3.6Å; L408-L451 HydrophobicContact CD1-CD2 4.46Å
409A94.8Very high92Very high0 Ų041.8 Ų41.80%025%0.252CS..Hα-helixtrans-56-48.5177.500000111.2I405 L406 S411 F412 L413 L432 L439 L451 M455I405-A409 WeakPolarHBondContact O-CB 3.32Å; I405-A409 PolarHBondContact O-N 3.31Å; L406-A409 PolarHBondContact O-N 3.4Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.13Å; A409-F412 PolarHBondContact O-N 2.88Å; A409-L413 VanDerWaalsContact O-CB 3.27Å; A409-L413 WeakPolarHBondContact O-CB 3.28Å; A409-L413 PolarHBondContact O-N 2.79Å; A409-L432 HydrophobicContact CB-CD2 4.17Å; A409-L439 HydrophobicContact CB-CD1 4.37Å; A409-L451 HydrophobicContact CB-CD1 4Å; A409-M455 HydrophobicContact CB-CG 4.36Å; A409-M455 HydrophobicContact CB-SD 3.96Å
410E93.9Very high91.6Very high30 Ų3041.2 Ų41.214%0.1426%0.255CS..Hα-helixtrans-60.6-43.1176.7-179.1172.5166.900111.3L406 L408 L413 K414 F424 R429 L432L406-E410 PolarHBondContact O-N 3.03Å; L408-E410 VanDerWaalsContact C-N 3.34Å; L408-E410 PolarHBondContact O-N 2.92Å; E410-L413 PolarHBondContact O-N 3.28Å; E410-K414 HydrophobicContact CG-CD 4.27Å; E410-K414 WeakPolarHBondContact O-CB 3.42Å; E410-K414 WeakPolarHBondContact O-CG 3.44Å; E410-K414 PolarHBondContact O-N 2.88Å; E410-K414 WeakPolarHBondContact OE1-CE 3.25Å; E410-K414 IonicContact OE1-NZ 3.47Å; E410-K414 PolarHBondContact OE1-NZ 2.79Å; E410-F424 HydrophobicContact CG-CE1 4.25Å; E410-F424 HydrophobicContact CG-CE2 4.23Å; E410-F424 HydrophobicContact CG-CZ 3.64Å; E410-R429 IonicContact OE1-CZ 2.93Å; E410-R429 IonicContact OE1-NE 2.6Å; E410-R429 PolarHBondContact OE1-NE 3.17Å; E410-R429 IonicContact OE1-NH2 2.72Å; E410-R429 PolarHBondContact OE1-NH2 3.31Å; E410-R429 IonicContact OE2-NE 2.74Å; E410-L432 HydrophobicContact CB-CD2 3.92Å
411S91.8Very high91.2Very high33 Ų3341.6 Ų41.623%0.23127%0.269CS..Hα-helixtrans-63.5-45179.976.80000112.3P407 L408 A409 K414 V415P407-S411 WeakPolarHBondContact O-CB 3.41Å; P407-S411 PolarHBondContact O-N 2.84Å; L408-S411 PolarHBondContact O-N 3.4Å; L408-S411 VanDerWaalsContact O-N 3.13Å; L408-S411 PolarHBondContact O-OG 2.95Å; A409-S411 VanDerWaalsContact C-N 3.33Å; A409-S411 PolarHBondContact O-N 3.13Å; S411-K414 PolarHBondContact O-N 3.19Å; S411-V415 WeakPolarHBondContact O-CG2 3.49Å; S411-V415 PolarHBondContact O-N 2.83Å; S411-V415 VanDerWaalsContact O-N 3.12Å
412F93.1Very high90.8Very high31 Ų3142.2 Ų42.214%0.13628%0.276CS..Hα-helixtrans-69.7-39.7178.9-63.5-38.2000111.6L408 A409 K414 V415 S416 I448 L451 R452 M455L408-F412 HydrophobicContact CB-CD2 4.49Å; L408-F412 HydrophobicContact CB-CE2 4.1Å; L408-F412 HydrophobicContact CD2-CE2 4.34Å; L408-F412 HydrophobicContact CD2-CZ 4.19Å; L408-F412 VanDerWaalsContact O-CD2 3.28Å; L408-F412 WeakPolarHBondContact O-CD2 3.32Å; L408-F412 WeakPolarHBondContact O-CG 3.36Å; L408-F412 PolarHBondContact O-N 3.27Å; A409-F412 PolarHBondContact O-N 2.88Å; F412-K414 PolarHBondContact O-N 2.96Å; F412-V415 PolarHBondContact O-N 2.86Å; F412-S416 WeakPolarHBondContact O-CB 3.45Å; F412-S416 PolarHBondContact O-N 3.45Å; F412-S416 PolarHBondContact O-OG 3.45Å; F412-I448 HydrophobicContact CE2-CG2 3.59Å; F412-I448 HydrophobicContact CZ-CG2 3.49Å; F412-I448 VanDerWaalsContact CZ-CG2 3.49Å; F412-L451 HydrophobicContact CD2-CD2 4.16Å; F412-L451 HydrophobicContact CD2-CG 4.1Å; F412-L451 HydrophobicContact CE2-CD2 4.08Å; F412-L451 HydrophobicContact CE2-CG 4.34Å; F412-R452 HydrophobicContact CD1-CG 4.35Å; F412-R452 HydrophobicContact CD2-CB 4.04Å; F412-R452 HydrophobicContact CE2-CB 4.25Å; F412-R452 HydrophobicContact CG-CB 4.2Å; F412-R452 HydrophobicContact CG-CG 4.29Å; F412-M455 HydrophobicContact CB-CB 3.91Å; F412-M455 HydrophobicContact CB-CG 4.1Å
413L93.2Very high90.5Very high0 Ų044.3 Ų44.30%029%0.291CS..Hα-helixtrans-61.8-43.1176.2-176.956.7000111.5A409 E410 V415 S416 L417 F424 L432 M455 L458 A459 L462A409-L413 VanDerWaalsContact O-CB 3.27Å; A409-L413 WeakPolarHBondContact O-CB 3.28Å; A409-L413 PolarHBondContact O-N 2.79Å; E410-L413 PolarHBondContact O-N 3.28Å; L413-V415 PolarHBondContact O-N 3.39Å; L413-S416 PolarHBondContact O-N 3.27Å; L413-L417 HydrophobicContact CD1-CD1 3.89Å; L413-L417 HydrophobicContact CD1-CG 4.04Å; L413-L417 HydrophobicContact CG-CD1 3.85Å; L413-L417 HydrophobicContact CG-CG 4.44Å; L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 VanDerWaalsContact O-CG 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.09Å; L413-L417 PolarHBondContact O-N 3.16Å; L413-F424 HydrophobicContact CD2-CE2 4.03Å; L413-F424 HydrophobicContact CG-CD2 4.36Å; L413-F424 HydrophobicContact CG-CE2 4.21Å; L413-L432 HydrophobicContact CD2-CD2 4.39Å; L413-M455 HydrophobicContact CB-CB 4.36Å; L413-M455 HydrophobicContact CB-CG 4.5Å; L413-M455 HydrophobicContact CB-SD 4.22Å; L413-L458 HydrophobicContact CD1-CB 4.46Å; L413-L458 HydrophobicContact CD1-CD2 4.24Å; L413-L458 HydrophobicContact CD1-CG 4.27Å; L413-L458 HydrophobicContact CD2-CD2 4.12Å; L413-A459 HydrophobicContact CD1-CB 3.97Å; L413-L462 HydrophobicContact CD1-CD1 4.32Å
414K91.5Very high90.3Very high79 Ų7943 Ų4334%0.34327%0.271SS..Hα-helixtrans-58.5-47.5173.8-78.4173.4-175.7164.70112.4E410 S411 F412 A418 F424E410-K414 HydrophobicContact CG-CD 4.27Å; E410-K414 WeakPolarHBondContact O-CB 3.42Å; E410-K414 WeakPolarHBondContact O-CG 3.44Å; E410-K414 PolarHBondContact O-N 2.88Å; E410-K414 WeakPolarHBondContact OE1-CE 3.25Å; E410-K414 IonicContact OE1-NZ 3.47Å; E410-K414 PolarHBondContact OE1-NZ 2.79Å; S411-K414 PolarHBondContact O-N 3.19Å; F412-K414 PolarHBondContact O-N 2.96Å; K414-A418 VanDerWaalsContact O-CB 3.27Å; K414-A418 WeakPolarHBondContact O-CB 3.28Å; K414-A418 PolarHBondContact O-N 2.94Å; K414-F424 HydrophobicContact CD-CD1 4.29Å; K414-F424 HydrophobicContact CD-CE1 4.48Å; K414-F424 HydrophobicContact CD-CG 4.41Å; K414-F424 VanDerWaalsContact CE-CE1 3.44Å; K414-F424 HydrophobicContact CG-CB 3.93Å; K414-F424 HydrophobicContact CG-CD1 3.82Å; K414-F424 HydrophobicContact CG-CD2 3.56Å; K414-F424 HydrophobicContact CG-CE1 4.22Å; K414-F424 HydrophobicContact CG-CE2 3.98Å; K414-F424 HydrophobicContact CG-CG 3.47Å; K414-F424 VanDerWaalsContact CG-CG 3.47Å; K414-F424 HydrophobicContact CG-CZ 4.3Å
415V89.3Confident89.9Confident96 Ų9645.2 Ų45.258%0.58229%0.287SS*.Hα-helixtrans-63.7-45-179.7171.80000110.7S411 F412 L413 A418 A419S411-V415 WeakPolarHBondContact O-CG2 3.49Å; S411-V415 PolarHBondContact O-N 2.83Å; S411-V415 VanDerWaalsContact O-N 3.12Å; F412-V415 PolarHBondContact O-N 2.86Å; L413-V415 PolarHBondContact O-N 3.39Å; V415-A418 PolarHBondContact O-N 3.45Å; V415-A419 PolarHBondContact O-N 2.85Å
416S89.8Confident89.6Confident15 Ų1548.3 Ų48.311%0.10531%0.312CS..Hα-helixtrans-66.3-42179.5-61.70000112.5F412 L413 A419 L420F412-S416 WeakPolarHBondContact O-CB 3.45Å; F412-S416 PolarHBondContact O-N 3.45Å; F412-S416 PolarHBondContact O-OG 3.45Å; L413-S416 PolarHBondContact O-N 3.27Å; S416-A419 PolarHBondContact O-N 3.19Å; S416-L420 WeakPolarHBondContact O-CG 3.34Å; S416-L420 PolarHBondContact O-N 3.01Å
417L89.8Confident89.2Confident2 Ų249 Ų491%0.0132%0.321CS..Hα-helixtrans-65.1-42.2175.2-74.4167.6000111.8L413 A419 L420 S421 A422 F424 L428 A459 L462L413-L417 HydrophobicContact CD1-CD1 3.89Å; L413-L417 HydrophobicContact CD1-CG 4.04Å; L413-L417 HydrophobicContact CG-CD1 3.85Å; L413-L417 HydrophobicContact CG-CG 4.44Å; L413-L417 WeakPolarHBondContact O-CB 3.47Å; L413-L417 VanDerWaalsContact O-CG 3.28Å; L413-L417 WeakPolarHBondContact O-CG 3.09Å; L413-L417 PolarHBondContact O-N 3.16Å; L417-A419 VanDerWaalsContact C-N 3.3Å; L417-A419 PolarHBondContact O-N 2.95Å; L417-L420 CarbonylContact O-C 3.49Å; L417-L420 WeakPolarHBondContact O-CA 3.34Å; L417-L420 PolarHBondContact O-N 3.4Å; L417-S421 PolarHBondContact O-N 3.41Å; L417-S421 VanDerWaalsContact O-N 3.09Å; L417-A422 CarbonylContact C-O 3.53Å; L417-A422 HydrophobicContact CB-CB 4.27Å; L417-A422 HydrophobicContact CD2-CB 3.71Å; L417-A422 PolarHBondContact O-N 2.93Å; L417-F424 HydrophobicContact CD1-CB 4.3Å; L417-F424 HydrophobicContact CD1-CD2 3.85Å; L417-L428 HydrophobicContact CD1-CD1 3.86Å; L417-A459 HydrophobicContact CD2-CB 3.9Å; L417-A459 HydrophobicContact CG-CB 3.91Å; L417-L462 HydrophobicContact CD2-CB 4.19Å
418A86.5Confident89Confident69 Ų6946.3 Ų46.357%0.5730%0.303SS*.Hα-helixtrans-60.9-39.2176.200000112.1K414 V415 L420 S421K414-A418 VanDerWaalsContact O-CB 3.27Å; K414-A418 WeakPolarHBondContact O-CB 3.28Å; K414-A418 PolarHBondContact O-N 2.94Å; V415-A418 PolarHBondContact O-N 3.45Å; A418-L420 PolarHBondContact O-N 3.37Å; A418-S421 PolarHBondContact O-N 2.8Å
419A84.7Confident88.8Confident86 Ų8650.5 Ų50.571%0.71132%0.318SS*.Hα-helixtrans-63.6-28.3174.500000112.9V415 S416 L417 S421V415-A419 PolarHBondContact O-N 2.85Å; S416-A419 PolarHBondContact O-N 3.19Å; L417-A419 VanDerWaalsContact C-N 3.3Å; L417-A419 PolarHBondContact O-N 2.95Å; A419-S421 VanDerWaalsContact C-N 3.35Å
420L85.9Confident88.5Confident74 Ų7456.8 Ų56.839%0.38735%0.348SS..THydrogen-bonded Turntrans-91.46.9174.8-62.9173.2000113.1S416 L417 A418 A422 A459S416-L420 WeakPolarHBondContact O-CG 3.34Å; S416-L420 PolarHBondContact O-N 3.01Å; L417-L420 CarbonylContact O-C 3.49Å; L417-L420 WeakPolarHBondContact O-CA 3.34Å; L417-L420 PolarHBondContact O-N 3.4Å; A418-L420 PolarHBondContact O-N 3.37Å; L420-A422 PolarHBondContact O-N 3.4Å; L420-A422 VanDerWaalsContact O-N 3.16Å; L420-A459 HydrophobicContact CD1-CB 4.08Å
421S86.3Confident88.2Confident115 Ų11555.8 Ų55.880%0.80435%0.346SS*.THydrogen-bonded Turntrans5624.5-173.7-54.20000114.2L417 A418 A419L417-S421 PolarHBondContact O-N 3.41Å; L417-S421 VanDerWaalsContact O-N 3.09Å; A418-S421 PolarHBondContact O-N 2.8Å; A419-S421 VanDerWaalsContact C-N 3.35Å
422A83.8Confident88.2Confident20 Ų2054.3 Ų54.317%0.16534%0.335CS..  trans-95.3139.2176.200000110.4L417 L420L417-A422 CarbonylContact C-O 3.53Å; L417-A422 HydrophobicContact CB-CB 4.27Å; L417-A422 HydrophobicContact CD2-CB 3.71Å; L417-A422 PolarHBondContact O-N 2.93Å; L420-A422 PolarHBondContact O-N 3.4Å; L420-A422 VanDerWaalsContact O-N 3.16Å
423P84.7Confident88.1Confident109 Ų10957.4 Ų57.471%0.70835%0.35SS*.  trans-77.6136.9-179.430.5-33.7000111.7S425P423-S425 PolarHBondContact O-N 3.27Å
424F87.4Confident87.9Confident48 Ų4860.4 Ų60.421%0.21138%0.375CS..  trans-80.5105.1166.3-175.6-92.4000109.8E410 L413 K414 L417 L428 R429E410-F424 HydrophobicContact CG-CE1 4.25Å; E410-F424 HydrophobicContact CG-CE2 4.23Å; E410-F424 HydrophobicContact CG-CZ 3.64Å; L413-F424 HydrophobicContact CD2-CE2 4.03Å; L413-F424 HydrophobicContact CG-CD2 4.36Å; L413-F424 HydrophobicContact CG-CE2 4.21Å; K414-F424 HydrophobicContact CD-CD1 4.29Å; K414-F424 HydrophobicContact CD-CE1 4.48Å; K414-F424 HydrophobicContact CD-CG 4.41Å; K414-F424 VanDerWaalsContact CE-CE1 3.44Å; K414-F424 HydrophobicContact CG-CB 3.93Å; K414-F424 HydrophobicContact CG-CD1 3.82Å; K414-F424 HydrophobicContact CG-CD2 3.56Å; K414-F424 HydrophobicContact CG-CE1 4.22Å; K414-F424 HydrophobicContact CG-CE2 3.98Å; K414-F424 HydrophobicContact CG-CG 3.47Å; K414-F424 VanDerWaalsContact CG-CG 3.47Å; K414-F424 HydrophobicContact CG-CZ 4.3Å; L417-F424 HydrophobicContact CD1-CB 4.3Å; L417-F424 HydrophobicContact CD1-CD2 3.85Å; F424-L428 HydrophobicContact CE2-CB 4.32Å; F424-R429 HydrophobicContact CE1-CB 3.92Å; F424-R429 HydrophobicContact CZ-CB 3.91Å
425S86.8Confident87.8Confident49 Ų4956.6 Ų56.634%0.34336%0.358SS..  trans-87160.9-176.977.10000112.9P423 A427 L428 R429P423-S425 PolarHBondContact O-N 3.27Å; S425-A427 PolarHBondContact O-N 3.41Å; S425-A427 PolarHBondContact OG-N 2.85Å; S425-L428 PolarHBondContact O-N 2.93Å; S425-L428 WeakPolarHBondContact OG-CG 3.47Å; S425-L428 PolarHBondContact OG-N 3.49Å; S425-R429 PolarHBondContact O-N 2.67Å
426A86.8Confident87.8Confident64 Ų6456.4 Ų56.453%0.52935%0.351SS..Hα-helixtrans-63.2-31.6172.800000112.4R429 Q430A426-R429 WeakPolarHBondContact O-CB 3.4Å; A426-R429 PolarHBondContact O-N 2.71Å; A426-Q430 PolarHBondContact O-N 2.95Å; A426-Q430 VanDerWaalsContact O-N 3.08Å
427A85.8Confident87.7Confident37 Ų3760 Ų6031%0.30637%0.373SS..Hα-helixtrans-63.5-43174.900000111.5S425 R429 Q430 G431S425-A427 PolarHBondContact O-N 3.41Å; S425-A427 PolarHBondContact OG-N 2.85Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.08Å; A427-Q430 PolarHBondContact O-N 3.47Å; A427-Q430 VanDerWaalsContact O-N 3.17Å; A427-G431 PolarHBondContact O-N 3.34Å
428L88.2Confident87.7Confident12 Ų1260.8 Ų60.86%0.06338%0.377CS..Hα-helixtrans-62-38.2175.5-69.1179000112.3L417 F424 S425 G431 L432 L462 L470L417-L428 HydrophobicContact CD1-CD1 3.86Å; F424-L428 HydrophobicContact CE2-CB 4.32Å; S425-L428 PolarHBondContact O-N 2.93Å; S425-L428 WeakPolarHBondContact OG-CG 3.47Å; S425-L428 PolarHBondContact OG-N 3.49Å; L428-G431 PolarHBondContact O-N 3.37Å; L428-L432 VanDerWaalsContact O-CB 3.32Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 PolarHBondContact O-N 3.26Å; L428-L462 HydrophobicContact CD1-CD1 4.13Å; L428-L462 HydrophobicContact CD2-CD1 3.67Å; L428-L462 HydrophobicContact CD2-CD2 3.88Å; L428-L462 HydrophobicContact CD2-CG 4.38Å; L428-L470 HydrophobicContact CD2-CD1 3.85Å; L428-L470 HydrophobicContact CD2-CG 4.05Å
429R89.8Confident88Confident91 Ų9157.6 Ų57.634%0.34335%0.35SS..Hα-helixtrans-60.4-48.7173-177.2-179.2-67.9125.46.3111.4E410 F424 S425 A426 A427 L432 Q433E410-R429 IonicContact OE1-CZ 2.93Å; E410-R429 IonicContact OE1-NE 2.6Å; E410-R429 PolarHBondContact OE1-NE 3.17Å; E410-R429 IonicContact OE1-NH2 2.72Å; E410-R429 PolarHBondContact OE1-NH2 3.31Å; E410-R429 IonicContact OE2-NE 2.74Å; F424-R429 HydrophobicContact CE1-CB 3.92Å; F424-R429 HydrophobicContact CZ-CB 3.91Å; S425-R429 PolarHBondContact O-N 2.67Å; A426-R429 WeakPolarHBondContact O-CB 3.4Å; A426-R429 PolarHBondContact O-N 2.71Å; A427-R429 VanDerWaalsContact C-N 3.31Å; A427-R429 PolarHBondContact O-N 3.08Å; R429-L432 PolarHBondContact O-N 3.21Å; R429-Q433 WeakPolarHBondContact O-CG 3.32Å; R429-Q433 PolarHBondContact O-N 3.21Å
430Q89.1Confident88.3Confident133 Ų13355.3 Ų55.362%0.62133%0.328SS*.Hα-helixtrans-64-41-179.7-72.2177.5-10.100111.9A426 A427 Q433 A434A426-Q430 PolarHBondContact O-N 2.95Å; A426-Q430 VanDerWaalsContact O-N 3.08Å; A427-Q430 PolarHBondContact O-N 3.47Å; A427-Q430 VanDerWaalsContact O-N 3.17Å; Q430-Q433 WeakPolarHBondContact O-CB 3.45Å; Q430-Q433 PolarHBondContact O-N 2.88Å; Q430-A434 WeakPolarHBondContact O-CB 3.43Å; Q430-A434 PolarHBondContact O-N 3.38Å
431G88.9Confident88.4Confident9 Ų958.4 Ų58.49%0.09334%0.34CS..Hα-helixtrans-66.3-40.1176.200000112.8A427 L428 Q433 A434 S435 L470A427-G431 PolarHBondContact O-N 3.34Å; L428-G431 PolarHBondContact O-N 3.37Å; G431-Q433 VanDerWaalsContact C-N 3.34Å; G431-Q433 PolarHBondContact O-N 3.27Å; G431-A434 PolarHBondContact O-N 3.17Å; G431-S435 PolarHBondContact O-N 3.48Å; G431-S435 PolarHBondContact O-OG 2.91Å; G431-L470 CarbonylContact C-O 3.34Å
432L90.2Very high88.6Confident2 Ų254 Ų541%0.0131%0.306CS..Hα-helixtrans-63.5-40.3173.7-169.667.8000111.7L406 A409 E410 L413 L428 R429 S435 E436 L439 M455L406-L432 HydrophobicContact CD1-CD2 4.22Å; L406-L432 HydrophobicContact CD1-CG 3.89Å; A409-L432 HydrophobicContact CB-CD2 4.17Å; E410-L432 HydrophobicContact CB-CD2 3.92Å; L413-L432 HydrophobicContact CD2-CD2 4.39Å; L428-L432 VanDerWaalsContact O-CB 3.32Å; L428-L432 WeakPolarHBondContact O-CB 3.46Å; L428-L432 PolarHBondContact O-N 3.26Å; R429-L432 PolarHBondContact O-N 3.21Å; L432-S435 CarbonylContact O-C 3.54Å; L432-S435 PolarHBondContact O-N 2.75Å; L432-E436 PolarHBondContact O-N 3.38Å; L432-L439 HydrophobicContact CD1-CD1 3.79Å; L432-L439 HydrophobicContact CG-CD1 4.42Å; L432-M455 HydrophobicContact CD1-SD 4.46Å
433Q91.1Very high88.9Confident96 Ų9657.3 Ų57.345%0.44932%0.321SS..Hα-helixtrans-62.8-42.4172.2-75179.5-32.200112.2L406 R429 Q430 G431 S435 E436L406-Q433 HydrophobicContact CD2-CG 4.21Å; R429-Q433 WeakPolarHBondContact O-CG 3.32Å; R429-Q433 PolarHBondContact O-N 3.21Å; Q430-Q433 WeakPolarHBondContact O-CB 3.45Å; Q430-Q433 PolarHBondContact O-N 2.88Å; G431-Q433 VanDerWaalsContact C-N 3.34Å; G431-Q433 PolarHBondContact O-N 3.27Å; Q433-S435 PolarHBondContact O-N 3.13Å; Q433-E436 WeakPolarHBondContact O-CB 3.46Å; Q433-E436 PolarHBondContact O-N 2.78Å
434A88.9Confident89.4Confident62 Ų6252.1 Ų52.151%0.51229%0.287SS..Hα-helixtrans-63.1-24.6175.800000112.7Q430 G431Q430-A434 WeakPolarHBondContact O-CB 3.43Å; Q430-A434 PolarHBondContact O-N 3.38Å; G431-A434 PolarHBondContact O-N 3.17Å
435S89.1Confident89.7Confident0 Ų053.2 Ų53.20%030%0.299CS..THydrogen-bonded Turntrans-93.97.4175.6-63.60000114.1G431 L432 Q433 T437 V438 L439 L470G431-S435 PolarHBondContact O-N 3.48Å; G431-S435 PolarHBondContact O-OG 2.91Å; L432-S435 CarbonylContact O-C 3.54Å; L432-S435 PolarHBondContact O-N 2.75Å; Q433-S435 PolarHBondContact O-N 3.13Å; S435-T437 VanDerWaalsContact C-N 3.28Å; S435-T437 PolarHBondContact O-N 3.46Å; S435-V438 PolarHBondContact O-N 2.84Å; S435-V438 VanDerWaalsContact O-N 3.11Å; S435-L439 PolarHBondContact O-N 3.29Å; S435-L470 PolarHBondContact OG-O 3.03Å
436E89.7Confident90Very high91 Ų9151.8 Ų51.843%0.42529%0.292SS..Hα-helixtrans-54-44.3-179.4178.8176.8-166.800111.9L406 L432 Q433 V438 L439 V440L406-E436 HydrophobicContact CD2-CB 4.34Å; L406-E436 HydrophobicContact CD2-CG 4.13Å; L432-E436 PolarHBondContact O-N 3.38Å; Q433-E436 WeakPolarHBondContact O-CB 3.46Å; Q433-E436 PolarHBondContact O-N 2.78Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.27Å; E436-L439 PolarHBondContact O-N 3.39Å; E436-L439 VanDerWaalsContact O-N 3.1Å; E436-V440 HydrophobicContact CG-CG2 3.86Å; E436-V440 WeakPolarHBondContact O-CB 3.36Å; E436-V440 WeakPolarHBondContact O-CG2 3.48Å; E436-V440 PolarHBondContact O-N 3Å
437T88.4Confident90.4Very high92 Ų9248.7 Ų48.756%0.56427%0.267SS*.Hα-helixtrans-54-44.4179.2-53.40000111.6S435 H441S435-T437 VanDerWaalsContact C-N 3.28Å; S435-T437 PolarHBondContact O-N 3.46Å; T437-H441 WeakPolarHBondContact O-CB 3.26Å; T437-H441 PolarHBondContact O-N 2.75Å; T437-H441 VanDerWaalsContact O-N 3.17Å; T437-H441 PolarHBondContact O-ND1 2.91Å
438V90Very high90.8Very high18 Ų1848.4 Ų48.411%0.10926%0.259CS..Hα-helixtrans-69.6-39.4-179179.70000111.2S435 E436 P472 Q476 L482S435-V438 PolarHBondContact O-N 2.84Å; S435-V438 VanDerWaalsContact O-N 3.11Å; E436-V438 VanDerWaalsContact C-N 3.27Å; E436-V438 PolarHBondContact O-N 3.27Å; V438-P472 HydrophobicContact CG2-CB 3.75Å; V438-Q476 HydrophobicContact CG1-CG 3.91Å; V438-L482 HydrophobicContact CG1-CB 3.74Å; V438-L482 HydrophobicContact CG1-CD1 3.99Å; V438-L482 HydrophobicContact CG1-CG 4.32Å
439L91.8Very high91.1Very high1 Ų154.9 Ų54.91%0.00528%0.283CS..Hα-helixtrans-68.8-37.5179.1-67.3172000112.3I405 L406 A409 L432 S435 E436 W444 M455 L475 L482I405-L439 HydrophobicContact CG2-CB 4.05Å; L406-L439 HydrophobicContact CD1-CD1 4.49Å; A409-L439 HydrophobicContact CB-CD1 4.37Å; L432-L439 HydrophobicContact CD1-CD1 3.79Å; L432-L439 HydrophobicContact CG-CD1 4.42Å; S435-L439 PolarHBondContact O-N 3.29Å; E436-L439 PolarHBondContact O-N 3.39Å; E436-L439 VanDerWaalsContact O-N 3.1Å; L439-W444 HydrophobicContact CB-CZ2 4.3Å; L439-W444 HydrophobicContact CD2-CH2 3.92Å; L439-W444 HydrophobicContact CD2-CZ2 3.75Å; L439-W444 PolarHBondContact O-NE1 3.34Å; L439-M455 HydrophobicContact CD2-CE 4.49Å; L439-L475 HydrophobicContact CD2-CD2 3.98Å; L439-L475 HydrophobicContact CG-CD2 4.09Å; L439-L482 HydrophobicContact CD2-CD1 4.16Å
440V91.7Very high91.4Very high39 Ų3952.2 Ų52.224%0.23627%0.274CS..Hα-helixtrans-75.4-35-177.4161.90000112.5V402 E436 Y442V402-V440 HydrophobicContact CG1-CB 4.11Å; V402-V440 HydrophobicContact CG1-CG1 3.33Å; V402-V440 HydrophobicContact CG1-CG2 3.8Å; E436-V440 HydrophobicContact CG-CG2 3.86Å; E436-V440 WeakPolarHBondContact O-CB 3.36Å; E436-V440 WeakPolarHBondContact O-CG2 3.48Å; E436-V440 PolarHBondContact O-N 3Å; V440-Y442 VanDerWaalsContact C-N 3.34Å
441H88.6Confident91.7Very high139 Ų13945.9 Ų45.964%0.64425%0.245SC*.Hα-helixtrans-80.7-14.1-177.9-73.487.3000113.9T437T437-H441 WeakPolarHBondContact O-CB 3.26Å; T437-H441 PolarHBondContact O-N 2.75Å; T437-H441 VanDerWaalsContact O-N 3.17Å; T437-H441 PolarHBondContact O-ND1 2.91Å
442Y90.1Very high92Very high21 Ų2151.6 Ų51.68%0.08226%0.264CS..SBendtrans-74.5137.2176.4-172.7-118.5000111V440 W444 P445 E450 M454 E481 L482 E485V440-Y442 VanDerWaalsContact C-N 3.34Å; Y442-W444 VanDerWaalsContact C-N 3.25Å; Y442-W444 HydrophobicContact CD1-CB 4.48Å; Y442-W444 AromaticContact CD1-CD2 3.6Å; Y442-W444 HydrophobicContact CD1-CD2 3.6Å; Y442-W444 AromaticContact CD1-CE2 3.84Å; Y442-W444 AromaticContact CD1-CE3 3.74Å; Y442-W444 HydrophobicContact CD1-CE3 3.74Å; Y442-W444 AromaticContact CD1-CG 3.95Å; Y442-W444 HydrophobicContact CD1-CG 3.95Å; Y442-W444 HydrophobicContact CD1-CH2 4.32Å; Y442-W444 HydrophobicContact CD1-CZ2 4.21Å; Y442-W444 HydrophobicContact CD1-CZ3 4.1Å; Y442-W444 HydrophobicContact CE1-CD2 4.25Å; Y442-W444 HydrophobicContact CE1-CE3 4.01Å; Y442-W444 HydrophobicContact CE1-CZ3 4.4Å; Y442-W444 PolarHBondContact O-N 3.13Å; Y442-W444 PolarHBondContact O-NE1 3.26Å; Y442-P445 WeakPolarHBondContact OH-CD 3.44Å; Y442-E450 PolarHBondContact OH-OE1 3.11Å; Y442-M454 HydrophobicContact CE1-CE 4.29Å; Y442-E481 WeakPolarHBondContact CE2-O 3.5Å; Y442-L482 HydrophobicContact CD1-CD2 3.65Å; Y442-L482 HydrophobicContact CD2-CD2 4.01Å; Y442-L482 HydrophobicContact CE1-CD2 4.34Å; Y442-L482 HydrophobicContact CG-CD2 3.48Å; Y442-L482 VanDerWaalsContact CG-CD2 3.48Å; Y442-E485 WeakPolarHBondContact CA-OE2 3.33Å; Y442-E485 WeakPolarHBondContact CD2-OE2 3.45Å
443D90.8Very high92.2Very high91 Ų9155.8 Ų55.849%0.48729%0.286SS..  trans-72.4-13.8-174.7-81.7-30.3000114.6R399 E485R399-D443 WeakPolarHBondContact CD-O 3.27Å; D443-E485 PolarHBondContact N-OE2 2.95Å
444W94.6Very high92.4Very high0 Ų051.4 Ų51.40%027%0.266CS..  trans5061.6-179.6-62.6101.9000114.3L398 I405 L439 Y442 G446 N447 E450 L451 M454 L482L398-W444 HydrophobicContact CB-CB 4.03Å; L398-W444 HydrophobicContact CB-CG 4.4Å; L398-W444 HydrophobicContact CD2-CB 3.93Å; L398-W444 HydrophobicContact CD2-CD2 3.8Å; L398-W444 HydrophobicContact CD2-CE3 4.3Å; L398-W444 HydrophobicContact CD2-CG 3.61Å; L398-W444 HydrophobicContact CG-CB 4.25Å; L398-W444 HydrophobicContact CG-CG 4.08Å; I405-W444 HydrophobicContact CG2-CZ2 4.24Å; L439-W444 HydrophobicContact CB-CZ2 4.3Å; L439-W444 HydrophobicContact CD2-CH2 3.92Å; L439-W444 HydrophobicContact CD2-CZ2 3.75Å; L439-W444 PolarHBondContact O-NE1 3.34Å; Y442-W444 VanDerWaalsContact C-N 3.25Å; Y442-W444 HydrophobicContact CD1-CB 4.48Å; Y442-W444 AromaticContact CD1-CD2 3.6Å; Y442-W444 HydrophobicContact CD1-CD2 3.6Å; Y442-W444 AromaticContact CD1-CE2 3.84Å; Y442-W444 AromaticContact CD1-CE3 3.74Å; Y442-W444 HydrophobicContact CD1-CE3 3.74Å; Y442-W444 AromaticContact CD1-CG 3.95Å; Y442-W444 HydrophobicContact CD1-CG 3.95Å; Y442-W444 HydrophobicContact CD1-CH2 4.32Å; Y442-W444 HydrophobicContact CD1-CZ2 4.21Å; Y442-W444 HydrophobicContact CD1-CZ3 4.1Å; Y442-W444 HydrophobicContact CE1-CD2 4.25Å; Y442-W444 HydrophobicContact CE1-CE3 4.01Å; Y442-W444 HydrophobicContact CE1-CZ3 4.4Å; Y442-W444 PolarHBondContact O-N 3.13Å; Y442-W444 PolarHBondContact O-NE1 3.26Å; W444-G446 PolarHBondContact O-N 2.96Å; W444-N447 WeakPolarHBondContact O-CA 3.35Å; W444-N447 PolarHBondContact O-N 2.67Å; W444-E450 HydrophobicContact CE3-CG 4.08Å; W444-E450 HydrophobicContact CZ3-CG 4.19Å; W444-L451 HydrophobicContact CE3-CB 4.13Å; W444-L451 HydrophobicContact CE3-CD1 4.48Å; W444-L451 HydrophobicContact CH2-CB 4.45Å; W444-L451 HydrophobicContact CH2-CD1 3.4Å; W444-L451 HydrophobicContact CZ2-CD1 3.84Å; W444-L451 HydrophobicContact CZ3-CB 3.93Å; W444-L451 HydrophobicContact CZ3-CD1 3.76Å; W444-L451 HydrophobicContact CZ3-CG 4.48Å; W444-M454 HydrophobicContact CH2-SD 3.97Å; W444-M454 HydrophobicContact CZ3-SD 3.6Å; W444-M454 VanDerWaalsContact CZ3-SD 3.6Å; W444-L482 HydrophobicContact CH2-CD2 4.31Å; W444-L482 HydrophobicContact CZ2-CD2 4.44Å
445P92.8Very high92.7Very high71 Ų7148.5 Ų48.546%0.46124%0.241SC..THydrogen-bonded Turntrans-60.4-28.7-179.126.3-35.9000113.9Y442 E450Y442-P445 WeakPolarHBondContact OH-CD 3.44Å; P445-E450 VanDerWaalsContact CD-OE2 3.26Å; P445-E450 WeakPolarHBondContact CD-OE2 3.46Å
446G92.7Very high92.9Very high18 Ų1853.5 Ų53.519%0.18627%0.265CS..THydrogen-bonded Turntrans-948.7173.400000114.1W444 R449 E450W444-G446 PolarHBondContact O-N 2.96Å; G446-R449 PolarHBondContact O-N 3.4Å; G446-E450 WeakPolarHBondContact CA-OE2 3.23Å; G446-E450 PolarHBondContact N-OE2 3.25Å; G446-E450 PolarHBondContact O-N 3.15Å; G446-E450 VanDerWaalsContact O-N 3.11Å
447N95.6Very high93Very high0 Ų053.5 Ų53.50%026%0.261CS..Hα-helixtrans50.2-133.6175.2-67.9-79.7000112.8E247 T248 T250 P397 L398 W444 R449 E450 L451E247-N447 VanDerWaalsContact CB-ND2 3.27Å; E247-N447 WeakPolarHBondContact CB-ND2 3.43Å; E247-N447 PolarHBondContact OE2-ND2 2.85Å; T248-N447 PolarHBondContact O-ND2 3.43Å; T250-N447 HydrophobicContact CG2-CB 4.03Å; P397-N447 WeakPolarHBondContact CA-OD1 3.42Å; P397-N447 WeakPolarHBondContact CB-OD1 3.4Å; L398-N447 HydrophobicContact CB-CB 4.34Å; L398-N447 PolarHBondContact N-OD1 3.11Å; W444-N447 WeakPolarHBondContact O-CA 3.35Å; W444-N447 PolarHBondContact O-N 2.67Å; N447-R449 VanDerWaalsContact C-N 3.3Å; N447-R449 PolarHBondContact O-N 3.34Å; N447-E450 PolarHBondContact O-N 3.46Å; N447-L451 PolarHBondContact O-N 3.01Å; N447-L451 VanDerWaalsContact O-N 3.08Å
448I94.8Very high93.2Very high30 Ų3049.1 Ų49.115%0.15423%0.234CC..Hα-helixtrans-66.6-34-175.5-45.3178.4000111.3G249 T250 F412 E450 L451 R452G249-I448 VanDerWaalsContact O-CB 3.22Å; G249-I448 WeakPolarHBondContact O-CB 3.38Å; G249-I448 WeakPolarHBondContact O-CG1 3.46Å; G249-I448 PolarHBondContact O-N 3.46Å; T250-I448 VanDerWaalsContact O-CD1 3.29Å; T250-I448 WeakPolarHBondContact O-CD1 3.29Å; F412-I448 HydrophobicContact CE2-CG2 3.59Å; F412-I448 HydrophobicContact CZ-CG2 3.49Å; F412-I448 VanDerWaalsContact CZ-CG2 3.49Å; I448-E450 VanDerWaalsContact C-N 3.35Å; I448-L451 PolarHBondContact O-N 2.97Å; I448-R452 WeakPolarHBondContact O-CB 3.16Å; I448-R452 PolarHBondContact O-N 2.91Å
449R94.1Very high93.2Very high149 Ų14948.2 Ų48.256%0.56223%0.229SC*.Hα-helixtrans-63.2-44.7179.2-176.5-178.4-71.1168.4-2.2110.4G249 G446 N447 N453G249-R449 PolarHBondContact O-N 3.28Å; G446-R449 PolarHBondContact O-N 3.4Å; N447-R449 VanDerWaalsContact C-N 3.3Å; N447-R449 PolarHBondContact O-N 3.34Å; R449-N453 WeakPolarHBondContact O-CB 3.41Å; R449-N453 PolarHBondContact O-N 3.11Å; R449-N453 PolarHBondContact O-ND2 3.04Å; R449-N453 PolarHBondContact O-OD1 3.03Å
450E95.7Very high93.1Very high34 Ų3452.9 Ų52.916%0.15925%0.253CS..Hα-helixtrans-63.7-48.8174.7177172.5-139.900112Y442 W444 P445 G446 N447 I448 R452 N453 M454Y442-E450 PolarHBondContact OH-OE1 3.11Å; W444-E450 HydrophobicContact CE3-CG 4.08Å; W444-E450 HydrophobicContact CZ3-CG 4.19Å; P445-E450 VanDerWaalsContact CD-OE2 3.26Å; P445-E450 WeakPolarHBondContact CD-OE2 3.46Å; G446-E450 WeakPolarHBondContact CA-OE2 3.23Å; G446-E450 PolarHBondContact N-OE2 3.25Å; G446-E450 PolarHBondContact O-N 3.15Å; G446-E450 VanDerWaalsContact O-N 3.11Å; N447-E450 PolarHBondContact O-N 3.46Å; I448-E450 VanDerWaalsContact C-N 3.35Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 2.54Å; E450-N453 PolarHBondContact O-N 2.9Å; E450-N453 VanDerWaalsContact O-N 3.14Å; E450-M454 HydrophobicContact CG-CE 3.63Å; E450-M454 HydrophobicContact CG-CG 4.36Å; E450-M454 HydrophobicContact CG-SD 4.2Å; E450-M454 WeakPolarHBondContact O-CG 3.47Å; E450-M454 PolarHBondContact O-N 3.34Å; E450-M454 WeakPolarHBondContact OE1-CE 3.19Å
451L95.9Very high92.9Very high0 Ų055.7 Ų55.70%026%0.262CS..Hα-helixtrans-54.3-47177.3-179.864.3000111.6L398 L408 A409 F412 W444 N447 I448 M454 M455L398-L451 HydrophobicContact CD2-CB 4.09Å; L398-L451 HydrophobicContact CD2-CD2 4Å; L408-L451 HydrophobicContact CB-CD2 3.6Å; L408-L451 HydrophobicContact CD1-CD2 4.46Å; A409-L451 HydrophobicContact CB-CD1 4Å; F412-L451 HydrophobicContact CD2-CD2 4.16Å; F412-L451 HydrophobicContact CD2-CG 4.1Å; F412-L451 HydrophobicContact CE2-CD2 4.08Å; F412-L451 HydrophobicContact CE2-CG 4.34Å; W444-L451 HydrophobicContact CE3-CB 4.13Å; W444-L451 HydrophobicContact CE3-CD1 4.48Å; W444-L451 HydrophobicContact CH2-CB 4.45Å; W444-L451 HydrophobicContact CH2-CD1 3.4Å; W444-L451 HydrophobicContact CZ2-CD1 3.84Å; W444-L451 HydrophobicContact CZ3-CB 3.93Å; W444-L451 HydrophobicContact CZ3-CD1 3.76Å; W444-L451 HydrophobicContact CZ3-CG 4.48Å; N447-L451 PolarHBondContact O-N 3.01Å; N447-L451 VanDerWaalsContact O-N 3.08Å; I448-L451 PolarHBondContact O-N 2.97Å; L451-M454 PolarHBondContact O-N 2.89Å; L451-M455 HydrophobicContact CD1-CE 4.39Å; L451-M455 HydrophobicContact CD1-CG 4.44Å; L451-M455 VanDerWaalsContact O-CG 3.3Å; L451-M455 WeakPolarHBondContact O-CG 3.49Å; L451-M455 PolarHBondContact O-N 3.04Å
452R94.9Very high92.8Very high130 Ų13049.5 Ų49.549%0.49123%0.234SC..Hα-helixtrans-60.6-48.2177.2-178.1-178.7176.9177.60.8111.9F412 I448 E450 M454 M455 E456F412-R452 HydrophobicContact CD1-CG 4.35Å; F412-R452 HydrophobicContact CD2-CB 4.04Å; F412-R452 HydrophobicContact CE2-CB 4.25Å; F412-R452 HydrophobicContact CG-CB 4.2Å; F412-R452 HydrophobicContact CG-CG 4.29Å; I448-R452 WeakPolarHBondContact O-CB 3.16Å; I448-R452 PolarHBondContact O-N 2.91Å; E450-R452 VanDerWaalsContact C-N 3.3Å; E450-R452 PolarHBondContact O-N 2.54Å; R452-M454 VanDerWaalsContact C-N 3.31Å; R452-M454 PolarHBondContact O-N 3.35Å; R452-M455 PolarHBondContact O-N 3.04Å; R452-E456 PolarHBondContact O-N 3.17Å
453N95.3Very high92.5Very high90 Ų9050.8 Ų50.848%0.48125%0.246SC..Hα-helixtrans-62.9-38.6-179.5-68.5-5.5000111.7R449 E450 E456 R457R449-N453 WeakPolarHBondContact O-CB 3.41Å; R449-N453 PolarHBondContact O-N 3.11Å; R449-N453 PolarHBondContact O-ND2 3.04Å; R449-N453 PolarHBondContact O-OD1 3.03Å; E450-N453 PolarHBondContact O-N 2.9Å; E450-N453 VanDerWaalsContact O-N 3.14Å; N453-E456 PolarHBondContact O-N 2.7Å; N453-R457 PolarHBondContact O-N 2.86Å
454M95.2Very high92.1Very high4 Ų452.4 Ų52.42%0.0226%0.259CS..Hα-helixtrans-66.9-40.8175.5-72.8-170.9179.900111.9Y442 W444 E450 L451 R452 E456 R457 L458 L479 E481Y442-M454 HydrophobicContact CE1-CE 4.29Å; W444-M454 HydrophobicContact CH2-SD 3.97Å; W444-M454 HydrophobicContact CZ3-SD 3.6Å; W444-M454 VanDerWaalsContact CZ3-SD 3.6Å; E450-M454 HydrophobicContact CG-CE 3.63Å; E450-M454 HydrophobicContact CG-CG 4.36Å; E450-M454 HydrophobicContact CG-SD 4.2Å; E450-M454 WeakPolarHBondContact O-CG 3.47Å; E450-M454 PolarHBondContact O-N 3.34Å; E450-M454 WeakPolarHBondContact OE1-CE 3.19Å; L451-M454 PolarHBondContact O-N 2.89Å; R452-M454 VanDerWaalsContact C-N 3.31Å; R452-M454 PolarHBondContact O-N 3.35Å; M454-E456 VanDerWaalsContact C-N 3.35Å; M454-R457 PolarHBondContact O-N 3.22Å; M454-L458 WeakPolarHBondContact O-CB 3.45Å; M454-L458 PolarHBondContact O-N 2.84Å; M454-L479 HydrophobicContact CB-CD1 4.01Å; M454-L479 HydrophobicContact CB-CD2 3.92Å; M454-L479 HydrophobicContact CG-CD1 4.45Å; M454-L479 HydrophobicContact CG-CD2 4.05Å; M454-L479 HydrophobicContact SD-CD1 4.24Å; M454-E481 HydrophobicContact CE-CB 3.43Å; M454-E481 VanDerWaalsContact CE-CB 3.43Å; M454-E481 HydrophobicContact CE-CG 3.7Å
455M94.7Very high91.3Very high0 Ų058.8 Ų58.80%029%0.289CS..Hα-helixtrans-68.3-33.2175.5-67.2-54.9102.700112.6A409 F412 L413 L432 L439 L451 R452 L458 A459 L479A409-M455 HydrophobicContact CB-CG 4.36Å; A409-M455 HydrophobicContact CB-SD 3.96Å; F412-M455 HydrophobicContact CB-CB 3.91Å; F412-M455 HydrophobicContact CB-CG 4.1Å; L413-M455 HydrophobicContact CB-CB 4.36Å; L413-M455 HydrophobicContact CB-CG 4.5Å; L413-M455 HydrophobicContact CB-SD 4.22Å; L432-M455 HydrophobicContact CD1-SD 4.46Å; L439-M455 HydrophobicContact CD2-CE 4.49Å; L451-M455 HydrophobicContact CD1-CE 4.39Å; L451-M455 HydrophobicContact CD1-CG 4.44Å; L451-M455 VanDerWaalsContact O-CG 3.3Å; L451-M455 WeakPolarHBondContact O-CG 3.49Å; L451-M455 PolarHBondContact O-N 3.04Å; R452-M455 PolarHBondContact O-N 3.04Å; M455-L458 HydrophobicContact CE-CD2 4.34Å; M455-L458 PolarHBondContact O-N 3.27Å; M455-L458 HydrophobicContact SD-CD2 4.22Å; M455-A459 WeakPolarHBondContact O-CB 3.34Å; M455-A459 PolarHBondContact O-N 2.84Å; M455-L479 HydrophobicContact CE-CD1 4.33Å
456E93.3Very high90.2Very high106 Ų10660.5 Ų60.550%0.49530%0.3SS..Hα-helixtrans-64.4-45.5171.1-175.4176.3169.400111.7R452 N453 M454 L458 A459 L460R452-E456 PolarHBondContact O-N 3.17Å; N453-E456 PolarHBondContact O-N 2.7Å; M454-E456 VanDerWaalsContact C-N 3.35Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.1Å; E456-A459 PolarHBondContact O-N 3.31Å; E456-L460 PolarHBondContact O-N 3.19Å
457R92.6Very high89Confident90 Ų9061 Ų6134%0.3430%0.299SS..Hα-helixtrans-58.7-46.3173.7-168.6-168.7-61.6164.91.4111N453 M454 A459 L460 F461 E481N453-R457 PolarHBondContact O-N 2.86Å; M454-R457 PolarHBondContact O-N 3.22Å; R457-A459 PolarHBondContact O-N 3.25Å; R457-L460 WeakPolarHBondContact O-CB 3.02Å; R457-L460 PolarHBondContact O-N 2.82Å; R457-F461 HydrophobicContact CG-CD2 4.24Å; R457-F461 HydrophobicContact CG-CE2 3.89Å; R457-F461 VanDerWaalsContact O-CD2 3.23Å; R457-F461 WeakPolarHBondContact O-CD2 3.44Å; R457-F461 PolarHBondContact O-N 3.44Å; R457-E481 IonicContact CZ-OE1 3.43Å; R457-E481 IonicContact NH1-OE1 2.97Å; R457-E481 PolarHBondContact NH1-OE1 3.17Å; R457-E481 IonicContact NH1-OE2 3.03Å; R457-E481 PolarHBondContact NH1-OE2 2.99Å; R457-E481 IonicContact NH2-OE1 2.92Å; R457-E481 PolarHBondContact NH2-OE1 3.19Å
458L91.6Very high87.4Confident0 Ų064.9 Ų64.90%033%0.325CS..Hα-helixtrans-60.9-44.2177.4-177.161.5000111.8L413 M454 M455 E456 L460 F461 L462 L470 L475 L478L413-L458 HydrophobicContact CD1-CB 4.46Å; L413-L458 HydrophobicContact CD1-CD2 4.24Å; L413-L458 HydrophobicContact CD1-CG 4.27Å; L413-L458 HydrophobicContact CD2-CD2 4.12Å; M454-L458 WeakPolarHBondContact O-CB 3.45Å; M454-L458 PolarHBondContact O-N 2.84Å; M455-L458 HydrophobicContact CE-CD2 4.34Å; M455-L458 PolarHBondContact O-N 3.27Å; M455-L458 HydrophobicContact SD-CD2 4.22Å; E456-L458 VanDerWaalsContact C-N 3.34Å; E456-L458 PolarHBondContact O-N 3.1Å; L458-L460 VanDerWaalsContact C-N 3.3Å; L458-L460 PolarHBondContact O-N 3.25Å; L458-F461 PolarHBondContact O-N 3.05Å; L458-L462 HydrophobicContact CD1-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CG 4.33Å; L458-L462 HydrophobicContact CG-CD1 3.9Å; L458-L462 HydrophobicContact CG-CG 4.42Å; L458-L462 WeakPolarHBondContact O-CG 3.5Å; L458-L462 PolarHBondContact O-N 3.24Å; L458-L470 HydrophobicContact CD1-CD2 3.85Å; L458-L470 HydrophobicContact CD2-CD1 4.39Å; L458-L470 HydrophobicContact CD2-CD2 4.44Å; L458-L475 HydrophobicContact CD1-CD1 4.24Å; L458-L475 HydrophobicContact CD2-CD1 3.94Å; L458-L478 HydrophobicContact CD1-CD1 3.73Å
459A90.9Very high86.4Confident0 Ų069 Ų690%035%0.347CS..Hα-helixtrans-59.7-40.117700000112.3L413 L417 L420 M455 E456 R457 L462 S463L413-A459 HydrophobicContact CD1-CB 3.97Å; L417-A459 HydrophobicContact CD2-CB 3.9Å; L417-A459 HydrophobicContact CG-CB 3.91Å; L420-A459 HydrophobicContact CD1-CB 4.08Å; M455-A459 WeakPolarHBondContact O-CB 3.34Å; M455-A459 PolarHBondContact O-N 2.84Å; E456-A459 PolarHBondContact O-N 3.31Å; R457-A459 PolarHBondContact O-N 3.25Å; A459-L462 PolarHBondContact O-N 3.11Å; A459-S463 WeakPolarHBondContact O-CB 3.45Å; A459-S463 PolarHBondContact O-N 3.07Å
460L88.8Confident85.8Confident99 Ų9962 Ų6252%0.51832%0.32SS..Hα-helixtrans-59.7-48176.5-170.782.2000111.4E456 R457 L458 S463E456-L460 PolarHBondContact O-N 3.19Å; R457-L460 WeakPolarHBondContact O-CB 3.02Å; R457-L460 PolarHBondContact O-N 2.82Å; L458-L460 VanDerWaalsContact C-N 3.3Å; L458-L460 PolarHBondContact O-N 3.25Å; L460-S463 PolarHBondContact O-N 3.35Å; L460-S463 PolarHBondContact O-OG 2.89Å
461F87.3Confident85.3Confident98 Ų9863 Ų6343%0.4333%0.329SS..Hα-helixtrans-62.5-46.5177.3-78.3-72.7000111.9R457 L458 S463 V464 E465 L478R457-F461 HydrophobicContact CG-CD2 4.24Å; R457-F461 HydrophobicContact CG-CE2 3.89Å; R457-F461 VanDerWaalsContact O-CD2 3.23Å; R457-F461 WeakPolarHBondContact O-CD2 3.44Å; R457-F461 PolarHBondContact O-N 3.44Å; L458-F461 PolarHBondContact O-N 3.05Å; F461-S463 PolarHBondContact O-N 3.21Å; F461-V464 PolarHBondContact O-N 2.95Å; F461-V464 VanDerWaalsContact O-N 3.13Å; F461-E465 PolarHBondContact O-N 3.39Å; F461-L478 HydrophobicContact CB-CD1 4.08Å; F461-L478 HydrophobicContact CD1-CD2 3.95Å; F461-L478 HydrophobicContact CD2-CD1 4.26Å; F461-L478 HydrophobicContact CD2-CD2 3.88Å; F461-L478 HydrophobicContact CE1-CD2 4.07Å; F461-L478 HydrophobicContact CE2-CD2 4.01Å; F461-L478 HydrophobicContact CG-CD1 4.21Å; F461-L478 HydrophobicContact CG-CD2 3.86Å; F461-L478 HydrophobicContact CZ-CD2 4.1Å
462L86.5Confident84.7Confident8 Ų864.8 Ų64.84%0.04234%0.341CS..Hα-helixtrans-65-24179.1-68.7174000113.8L413 L417 L428 L458 A459 V464 E465 L470L413-L462 HydrophobicContact CD1-CD1 4.32Å; L417-L462 HydrophobicContact CD2-CB 4.19Å; L428-L462 HydrophobicContact CD1-CD1 4.13Å; L428-L462 HydrophobicContact CD2-CD1 3.67Å; L428-L462 HydrophobicContact CD2-CD2 3.88Å; L428-L462 HydrophobicContact CD2-CG 4.38Å; L458-L462 HydrophobicContact CD1-CD1 4.23Å; L458-L462 HydrophobicContact CD1-CG 4.33Å; L458-L462 HydrophobicContact CG-CD1 3.9Å; L458-L462 HydrophobicContact CG-CG 4.42Å; L458-L462 WeakPolarHBondContact O-CG 3.5Å; L458-L462 PolarHBondContact O-N 3.24Å; A459-L462 PolarHBondContact O-N 3.11Å; L462-V464 VanDerWaalsContact C-N 3.33Å; L462-E465 CarbonylContact O-C 3.6Å; L462-L470 HydrophobicContact CD1-CD1 4.47Å; L462-L470 HydrophobicContact CD1-CD2 4.32Å; L462-L470 HydrophobicContact CD2-CD2 4.05Å
463S84.2Confident84.3Confident48 Ų4864.9 Ų64.934%0.33635%0.347SS..Hα-helixtrans-72-26.9175.776.10000113.2A459 L460 F461A459-S463 WeakPolarHBondContact O-CB 3.45Å; A459-S463 PolarHBondContact O-N 3.07Å; L460-S463 PolarHBondContact O-N 3.35Å; L460-S463 PolarHBondContact O-OG 2.89Å; F461-S463 PolarHBondContact O-N 3.21Å
464V83.3Confident83.8Confident126 Ų12662.8 Ų62.876%0.76433%0.334SS*.Hα-helixtrans-93.8-43.9179.2-179.80000110.7F461 L462F461-V464 PolarHBondContact O-N 2.95Å; F461-V464 VanDerWaalsContact O-N 3.13Å; L462-V464 VanDerWaalsContact C-N 3.33Å
465E77.1Confident83.5Confident133 Ų13362.7 Ų62.762%0.62133%0.333SS*.SBendtrans-126.495.1178.8-161.6177.1-171.400108.6F461 L462 T467F461-E465 PolarHBondContact O-N 3.39Å; L462-E465 CarbonylContact O-C 3.6Å; E465-T467 HydrophobicContact CB-CG2 4.5Å; E465-T467 HydrophobicContact CG-CG2 3.83Å; E465-T467 PolarHBondContact O-N 3.48Å
466P69.6Low83.2Confident107 Ų10764.9 Ų64.970%0.69534%0.343SS*.  trans-72.476.2176.627.8-31.8000109.1
467T67.8Low82.8Confident28 Ų2866.2 Ų66.217%0.17235%0.353CS..  trans-71.5129.8172.155.30000108.7E465 D469 F474E465-T467 HydrophobicContact CB-CG2 4.5Å; E465-T467 HydrophobicContact CG-CG2 3.83Å; E465-T467 PolarHBondContact O-N 3.48Å; T467-D469 VanDerWaalsContact C-N 3.3Å; T467-F474 HydrophobicContact CG2-CZ 4.35Å
468P61.7Low82.6Confident83 Ų8363.1 Ų63.154%0.53934%0.343SS..SBendtrans-71.8-26.1178.425.9-31.7000112.5
469D73.3Confident82.5Confident115 Ų11563.1 Ų63.162%0.61534%0.343SS*.  trans-105.885.7-167.9-63-20.5000112.1T467 T471T467-D469 VanDerWaalsContact C-N 3.3Å; D469-T471 HydrophobicContact CB-CG2 4.18Å; D469-T471 PolarHBondContact O-N 2.82Å
470L82.3Confident82.3Confident2 Ų266.1 Ų66.11%0.0136%0.363CS..  trans-70.568.4164.5-66.7176.9000110.4L428 G431 S435 L458 L462 F474L428-L470 HydrophobicContact CD2-CD1 3.85Å; L428-L470 HydrophobicContact CD2-CG 4.05Å; G431-L470 CarbonylContact C-O 3.34Å; S435-L470 PolarHBondContact OG-O 3.03Å; L458-L470 HydrophobicContact CD1-CD2 3.85Å; L458-L470 HydrophobicContact CD2-CD1 4.39Å; L458-L470 HydrophobicContact CD2-CD2 4.44Å; L462-L470 HydrophobicContact CD1-CD1 4.47Å; L462-L470 HydrophobicContact CD1-CD2 4.32Å; L462-L470 HydrophobicContact CD2-CD2 4.05Å; L470-F474 HydrophobicContact CD2-CD1 3.9Å; L470-F474 HydrophobicContact CD2-CE1 3.92Å
471T84.7Confident82.3Confident56 Ų5663.9 Ų63.934%0.34435%0.349SS..  trans-67.5153.8173.760.30000110.9D469 Q473 F474 L475D469-T471 HydrophobicContact CB-CG2 4.18Å; D469-T471 PolarHBondContact O-N 2.82Å; T471-Q473 PolarHBondContact O-N 3.26Å; T471-F474 WeakPolarHBondContact O-CB 3.33Å; T471-F474 PolarHBondContact O-N 3.44Å; T471-F474 VanDerWaalsContact OG1-CB 3.27Å; T471-F474 WeakPolarHBondContact OG1-CB 3.27Å; T471-F474 PolarHBondContact OG1-N 2.92Å; T471-L475 PolarHBondContact O-N 3.03Å
472P84.7Confident82.3Confident38 Ų3859.3 Ų59.325%0.24733%0.33CS..Hα-helixtrans-50-41.1172.8-31.136.8000113.3V438 L475 Q476V438-P472 HydrophobicContact CG2-CB 3.75Å; P472-L475 PolarHBondContact O-N 2.97Å; P472-Q476 WeakPolarHBondContact O-CB 3.48Å; P472-Q476 VanDerWaalsContact O-CG 3.32Å; P472-Q476 WeakPolarHBondContact O-CG 3.46Å; P472-Q476 PolarHBondContact O-N 2.95Å
473Q85.6Confident82Confident131 Ų13160 Ų6061%0.61234%0.336SS*.Hα-helixtrans-68-40.4178.8-62.781.75.100112T471 Q476 L477T471-Q473 PolarHBondContact O-N 3.26Å; Q473-Q476 PolarHBondContact O-N 3.22Å; Q473-L477 WeakPolarHBondContact O-CB 3.38Å; Q473-L477 PolarHBondContact O-N 3.17Å
474F85.4Confident81Confident47 Ų4767.3 Ų67.321%0.20636%0.357CS..Hα-helixtrans-65.3-41.4175.5-176.9-105.4000111.5T467 L470 T471 Q476 L477 L478T467-F474 HydrophobicContact CG2-CZ 4.35Å; L470-F474 HydrophobicContact CD2-CD1 3.9Å; L470-F474 HydrophobicContact CD2-CE1 3.92Å; T471-F474 WeakPolarHBondContact O-CB 3.33Å; T471-F474 PolarHBondContact O-N 3.44Å; T471-F474 VanDerWaalsContact OG1-CB 3.27Å; T471-F474 WeakPolarHBondContact OG1-CB 3.27Å; T471-F474 PolarHBondContact OG1-N 2.92Å; F474-Q476 PolarHBondContact O-N 3.38Å; F474-L477 WeakPolarHBondContact O-CB 3.35Å; F474-L477 PolarHBondContact O-N 3.06Å; F474-L478 HydrophobicContact CD1-CD1 4Å; F474-L478 HydrophobicContact CE1-CD1 3.34Å; F474-L478 HydrophobicContact CE1-CG 4.19Å; F474-L478 HydrophobicContact CE2-CD1 4.3Å; F474-L478 HydrophobicContact CE2-CG 4.44Å; F474-L478 HydrophobicContact CZ-CD1 3.53Å; F474-L478 HydrophobicContact CZ-CG 4.14Å; F474-L478 PolarHBondContact O-N 3.17Å; F474-L478 VanDerWaalsContact O-N 3.07Å
475L87.7Confident79.7Confident1 Ų164.1 Ų64.11%0.00533%0.334CS..Hα-helixtrans-62.2-44176.2-167.867.5000111.2L439 L458 T471 P472 L477 L478 L479 L482L439-L475 HydrophobicContact CD2-CD2 3.98Å; L439-L475 HydrophobicContact CG-CD2 4.09Å; L458-L475 HydrophobicContact CD1-CD1 4.24Å; L458-L475 HydrophobicContact CD2-CD1 3.94Å; T471-L475 PolarHBondContact O-N 3.03Å; P472-L475 PolarHBondContact O-N 2.97Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3Å; L475-L478 PolarHBondContact O-N 3.33Å; L475-L479 HydrophobicContact CD1-CD1 3.64Å; L475-L479 HydrophobicContact CD1-CG 4.35Å; L475-L479 HydrophobicContact CG-CD1 4.03Å; L475-L479 WeakPolarHBondContact O-CA 3.16Å; L475-L479 VanDerWaalsContact O-CB 3.27Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 PolarHBondContact O-N 2.98Å; L475-L482 HydrophobicContact CD2-CD1 3.88Å; L475-L482 HydrophobicContact CG-CD1 3.91Å
476Q88.1Confident78.4Confident46 Ų4659.8 Ų59.822%0.21532%0.318CS..Hα-helixtrans-65.6-30.1175.2-75.3177.5-1400113.6V438 P472 Q473 F474 L479 P480 L482 A483 S486V438-Q476 HydrophobicContact CG1-CG 3.91Å; P472-Q476 WeakPolarHBondContact O-CB 3.48Å; P472-Q476 VanDerWaalsContact O-CG 3.32Å; P472-Q476 WeakPolarHBondContact O-CG 3.46Å; P472-Q476 PolarHBondContact O-N 2.95Å; Q473-Q476 PolarHBondContact O-N 3.22Å; F474-Q476 PolarHBondContact O-N 3.38Å; Q476-L479 CarbonylContact O-C 3.56Å; Q476-P480 WeakPolarHBondContact O-CA 3.47Å; Q476-L482 HydrophobicContact CG-CB 4.23Å; Q476-A483 HydrophobicContact CB-CB 4.05Å; Q476-A483 HydrophobicContact CG-CB 4.37Å; Q476-S486 PolarHBondContact NE2-OG 3.39Å; Q476-S486 VanDerWaalsContact NE2-OG 3.07Å
477L86.6Confident77.4Confident135 Ų13559.3 Ų59.371%0.70731%0.309SS*.Hα-helixtrans-68.5-43.6174.5-179.367.2000111.5Q473 F474 L475Q473-L477 WeakPolarHBondContact O-CB 3.38Å; Q473-L477 PolarHBondContact O-N 3.17Å; F474-L477 WeakPolarHBondContact O-CB 3.35Å; F474-L477 PolarHBondContact O-N 3.06Å; L475-L477 VanDerWaalsContact C-N 3.31Å; L475-L477 PolarHBondContact O-N 3Å
478L86.5Confident76.3Confident24 Ų2464.4 Ų64.413%0.12633%0.333CS..Hα-helixtrans-78.6-30.7179.4-66.7-176.4000113.2L458 F461 F474 L475 P480L458-L478 HydrophobicContact CD1-CD1 3.73Å; F461-L478 HydrophobicContact CB-CD1 4.08Å; F461-L478 HydrophobicContact CD1-CD2 3.95Å; F461-L478 HydrophobicContact CD2-CD1 4.26Å; F461-L478 HydrophobicContact CD2-CD2 3.88Å; F461-L478 HydrophobicContact CE1-CD2 4.07Å; F461-L478 HydrophobicContact CE2-CD2 4.01Å; F461-L478 HydrophobicContact CG-CD1 4.21Å; F461-L478 HydrophobicContact CG-CD2 3.86Å; F461-L478 HydrophobicContact CZ-CD2 4.1Å; F474-L478 HydrophobicContact CD1-CD1 4Å; F474-L478 HydrophobicContact CE1-CD1 3.34Å; F474-L478 HydrophobicContact CE1-CG 4.19Å; F474-L478 HydrophobicContact CE2-CD1 4.3Å; F474-L478 HydrophobicContact CE2-CG 4.44Å; F474-L478 HydrophobicContact CZ-CD1 3.53Å; F474-L478 HydrophobicContact CZ-CG 4.14Å; F474-L478 PolarHBondContact O-N 3.17Å; F474-L478 VanDerWaalsContact O-N 3.07Å; L475-L478 PolarHBondContact O-N 3.33Å; L478-P480 WeakPolarHBondContact O-CD 3.47Å
479L90.7Very high75.5Confident0 Ų066 Ų660%034%0.335CS..  trans-118.176179.8-54.4178.6000108.6M454 M455 L475 Q476 E481 L482M454-L479 HydrophobicContact CB-CD1 4.01Å; M454-L479 HydrophobicContact CB-CD2 3.92Å; M454-L479 HydrophobicContact CG-CD1 4.45Å; M454-L479 HydrophobicContact CG-CD2 4.05Å; M454-L479 HydrophobicContact SD-CD1 4.24Å; M455-L479 HydrophobicContact CE-CD1 4.33Å; L475-L479 HydrophobicContact CD1-CD1 3.64Å; L475-L479 HydrophobicContact CD1-CG 4.35Å; L475-L479 HydrophobicContact CG-CD1 4.03Å; L475-L479 WeakPolarHBondContact O-CA 3.16Å; L475-L479 VanDerWaalsContact O-CB 3.27Å; L475-L479 WeakPolarHBondContact O-CB 3.32Å; L475-L479 PolarHBondContact O-N 2.98Å; Q476-L479 CarbonylContact O-C 3.56Å; L479-E481 VanDerWaalsContact C-OE2 3.29Å; L479-E481 WeakPolarHBondContact CA-OE2 3.27Å; L479-E481 PolarHBondContact O-N 3.07Å; L479-L482 HydrophobicContact CB-CD1 3.85Å; L479-L482 HydrophobicContact CB-CG 4.02Å; L479-L482 HydrophobicContact CD1-CD1 3.72Å; L479-L482 HydrophobicContact CG-CD1 4.43Å; L479-L482 WeakPolarHBondContact O-CB 3.45Å; L479-L482 PolarHBondContact O-N 3.42Å
480P87Confident74.1Confident64 Ų6466.7 Ų66.742%0.41633%0.334SS..Hα-helixtrans-59-20.4-176.925.1-36.4000113.5Q476 L478 L482 A483 R484Q476-P480 WeakPolarHBondContact O-CA 3.47Å; L478-P480 WeakPolarHBondContact O-CD 3.47Å; P480-L482 VanDerWaalsContact C-N 3.27Å; P480-L482 PolarHBondContact O-N 3.04Å; P480-A483 WeakPolarHBondContact O-CB 3.5Å; P480-A483 PolarHBondContact O-N 2.9Å; P480-R484 PolarHBondContact O-N 3.38Å
481E89.2Confident72.2Confident51 Ų5171.7 Ų71.724%0.23836%0.36CS..Hα-helixtrans-56.4-41.3172-58.690.4160.600111.4Y442 M454 R457 L479 A483Y442-E481 WeakPolarHBondContact CE2-O 3.5Å; M454-E481 HydrophobicContact CE-CB 3.43Å; M454-E481 VanDerWaalsContact CE-CB 3.43Å; M454-E481 HydrophobicContact CE-CG 3.7Å; R457-E481 IonicContact CZ-OE1 3.43Å; R457-E481 IonicContact NH1-OE1 2.97Å; R457-E481 PolarHBondContact NH1-OE1 3.17Å; R457-E481 IonicContact NH1-OE2 3.03Å; R457-E481 PolarHBondContact NH1-OE2 2.99Å; R457-E481 IonicContact NH2-OE1 2.92Å; R457-E481 PolarHBondContact NH2-OE1 3.19Å; L479-E481 VanDerWaalsContact C-OE2 3.29Å; L479-E481 WeakPolarHBondContact CA-OE2 3.27Å; L479-E481 PolarHBondContact O-N 3.07Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.17Å
482L86.8Confident70.2Confident3 Ų372.4 Ų72.42%0.01637%0.365CS..Hα-helixtrans-72.1-20.4178.4-59.6179.4000113.3V438 L439 Y442 W444 L475 Q476 L479 P480 S486V438-L482 HydrophobicContact CG1-CB 3.74Å; V438-L482 HydrophobicContact CG1-CD1 3.99Å; V438-L482 HydrophobicContact CG1-CG 4.32Å; L439-L482 HydrophobicContact CD2-CD1 4.16Å; Y442-L482 HydrophobicContact CD1-CD2 3.65Å; Y442-L482 HydrophobicContact CD2-CD2 4.01Å; Y442-L482 HydrophobicContact CE1-CD2 4.34Å; Y442-L482 HydrophobicContact CG-CD2 3.48Å; Y442-L482 VanDerWaalsContact CG-CD2 3.48Å; W444-L482 HydrophobicContact CH2-CD2 4.31Å; W444-L482 HydrophobicContact CZ2-CD2 4.44Å; L475-L482 HydrophobicContact CD2-CD1 3.88Å; L475-L482 HydrophobicContact CG-CD1 3.91Å; Q476-L482 HydrophobicContact CG-CB 4.23Å; L479-L482 HydrophobicContact CB-CD1 3.85Å; L479-L482 HydrophobicContact CB-CG 4.02Å; L479-L482 HydrophobicContact CD1-CD1 3.72Å; L479-L482 HydrophobicContact CG-CD1 4.43Å; L479-L482 WeakPolarHBondContact O-CB 3.45Å; L479-L482 PolarHBondContact O-N 3.42Å; P480-L482 VanDerWaalsContact C-N 3.27Å; P480-L482 PolarHBondContact O-N 3.04Å; L482-S486 PolarHBondContact O-OG 3.44Å
483A78.9Confident67.9Low22 Ų2275.6 Ų75.618%0.18238%0.376CS..Hα-helixtrans-82.4-30.3179.800000112.8Q476 P480 E481 S486 N487Q476-A483 HydrophobicContact CB-CB 4.05Å; Q476-A483 HydrophobicContact CG-CB 4.37Å; P480-A483 WeakPolarHBondContact O-CB 3.5Å; P480-A483 PolarHBondContact O-N 2.9Å; E481-A483 VanDerWaalsContact C-N 3.29Å; E481-A483 PolarHBondContact O-N 3.17Å; A483-S486 PolarHBondContact O-N 3.42Å; A483-N487 PolarHBondContact O-N 3.23Å; A483-N487 VanDerWaalsContact O-N 3.14Å
484R63.6Low65.6Low201 Ų20174.4 Ų74.476%0.75837%0.373SS*.Hα-helixtrans-65.9-41.3-173.5-76.3-177.1-179.4175.82.1113.3P480 M488P480-R484 PolarHBondContact O-N 3.38Å; R484-M488 PolarHBondContact O-N 3.35Å
485E55.9Low63.4Low60 Ų6079.1 Ų79.128%0.2839%0.394SS..Hα-helixtrans-70.5-38176.4-92.5166.9-15500112.1Y442 D443 N487 M488 M489Y442-E485 WeakPolarHBondContact CA-OE2 3.33Å; Y442-E485 WeakPolarHBondContact CD2-OE2 3.45Å; D443-E485 PolarHBondContact N-OE2 2.95Å; E485-N487 VanDerWaalsContact C-N 3.34Å; E485-N487 PolarHBondContact O-N 3.38Å; E485-M488 PolarHBondContact O-N 3.18Å; E485-M489 PolarHBondContact O-N 3.39Å
486S51.3Low60.8Low42 Ų4285.6 Ų85.629%0.29443%0.426SS..Hα-helixtrans-61.1-40.8177.7-59.70000112.4Q476 L482 A483 M489 Q490Q476-S486 PolarHBondContact NE2-OG 3.39Å; Q476-S486 VanDerWaalsContact NE2-OG 3.07Å; L482-S486 PolarHBondContact O-OG 3.44Å; A483-S486 PolarHBondContact O-N 3.42Å; S486-M489 PolarHBondContact O-N 3.23Å; S486-Q490 PolarHBondContact O-N 2.95Å
487N47.5Very low58.2Low96 Ų9689.2 Ų89.251%0.51345%0.447SS..Hα-helixtrans-68.4-33.5178.1-77-19000113.1A483 E485 M489 L491A483-N487 PolarHBondContact O-N 3.23Å; A483-N487 VanDerWaalsContact O-N 3.14Å; E485-N487 VanDerWaalsContact C-N 3.34Å; E485-N487 PolarHBondContact O-N 3.38Å; N487-M489 VanDerWaalsContact C-N 3.34Å; N487-L491 WeakPolarHBondContact O-CB 3.26Å; N487-L491 PolarHBondContact O-N 3.14Å
488M45Very low55.7Low135 Ų13589.8 Ų89.867%0.66545%0.446SS*.Hα-helixtrans-67.3-39.1175.7-166.4147.163.700110.7R484 E485 L491 V492R484-M488 PolarHBondContact O-N 3.35Å; E485-M488 PolarHBondContact O-N 3.18Å; M488-L491 WeakPolarHBondContact O-CB 3.29Å; M488-L491 PolarHBondContact O-N 3.17Å; M488-V492 WeakPolarHBondContact O-CG2 3.32Å; M488-V492 PolarHBondContact O-N 2.87Å
489M45.2Very low53.1Low117 Ų11793.6 Ų93.658%0.57647%0.465SS*.Hα-helixtrans-72.1-39.5175.5-154.678.3176.300112.7E485 S486 N487 L491 V492 H493E485-M489 PolarHBondContact O-N 3.39Å; S486-M489 PolarHBondContact O-N 3.23Å; N487-M489 VanDerWaalsContact C-N 3.34Å; M489-L491 PolarHBondContact O-N 3.47Å; M489-V492 PolarHBondContact O-N 3.07Å; M489-V492 VanDerWaalsContact O-N 3.13Å; M489-H493 PolarHBondContact O-N 3.06Å
490Q44.2Very low50.6Low129 Ų12999.9 Ų99.960%0.60350%0.503SS*.Hα-helixtrans-59.8-38.4170.8-86.8-175.4-3.700111S486 H493 L494S486-Q490 PolarHBondContact O-N 2.95Å; Q490-H493 PolarHBondContact O-N 3.42Å; Q490-L494 VanDerWaalsContact O-CB 3.28Å; Q490-L494 WeakPolarHBondContact O-CB 3.13Å; Q490-L494 PolarHBondContact O-N 3.36Å
491L42Very low48.4Very low107 Ų107100.5 Ų100.556%0.5650%0.502SS*.Hα-helixtrans-59.8-47.9172.5-130.495.5000110.8N487 M488 M489 H493 L494 F495N487-L491 WeakPolarHBondContact O-CB 3.26Å; N487-L491 PolarHBondContact O-N 3.14Å; M488-L491 WeakPolarHBondContact O-CB 3.29Å; M488-L491 PolarHBondContact O-N 3.17Å; M489-L491 PolarHBondContact O-N 3.47Å; L491-H493 PolarHBondContact O-N 3.2Å; L491-L494 PolarHBondContact O-N 2.97Å; L491-F495 HydrophobicContact CD2-CD2 4.23Å; L491-F495 HydrophobicContact CD2-CE2 3.8Å; L491-F495 HydrophobicContact CG-CD2 4.33Å; L491-F495 HydrophobicContact CG-CE2 4.22Å; L491-F495 WeakPolarHBondContact O-CB 3.39Å; L491-F495 WeakPolarHBondContact O-CD2 3.15Å; L491-F495 PolarHBondContact O-N 3.35Å
492V41.6Very low46Very low72 Ų72102.6 Ų102.644%0.43652%0.515SS..Hα-helixtrans-61.2-43.6177.8173.90000111.5M488 M489 F495 M496M488-V492 WeakPolarHBondContact O-CG2 3.32Å; M488-V492 PolarHBondContact O-N 2.87Å; M489-V492 PolarHBondContact O-N 3.07Å; M489-V492 VanDerWaalsContact O-N 3.13Å; V492-F495 CarbonylContact O-C 3.54Å; V492-F495 WeakPolarHBondContact O-CB 3.36Å; V492-F495 PolarHBondContact O-N 3.36Å; V492-M496 WeakPolarHBondContact O-CG 3.29Å; V492-M496 PolarHBondContact O-N 2.99Å
493H36.4Very low43.9Very low105 Ų105107.1 Ų107.149%0.48654%0.544SS..Hα-helixtrans-66.3-42.1176.4-103.5-76.3000112.4M489 Q490 L491 F495 M496 D497M489-H493 PolarHBondContact O-N 3.06Å; Q490-H493 PolarHBondContact O-N 3.42Å; L491-H493 PolarHBondContact O-N 3.2Å; H493-F495 VanDerWaalsContact C-N 3.28Å; H493-F495 PolarHBondContact O-N 3.3Å; H493-M496 PolarHBondContact O-N 3.23Å; H493-D497 WeakPolarHBondContact O-CB 3.34Å; H493-D497 PolarHBondContact O-N 2.83Å
494L38.6Very low42.1Very low106 Ų106111.2 Ų111.256%0.55556%0.563SS**Hα-helixtrans-61.9-40174-139.1106.8000110.6Q490 L491 M496 D497 E498Q490-L494 VanDerWaalsContact O-CB 3.28Å; Q490-L494 WeakPolarHBondContact O-CB 3.13Å; Q490-L494 PolarHBondContact O-N 3.36Å; L491-L494 PolarHBondContact O-N 2.97Å; L494-M496 VanDerWaalsContact C-N 3.28Å; L494-M496 PolarHBondContact O-N 2.87Å; L494-D497 PolarHBondContact O-N 2.87Å; L494-E498 WeakPolarHBondContact O-CB 3.34Å; L494-E498 PolarHBondContact O-N 3.48Å
495F37.7Very low41Very low145 Ų145107 Ų10764%0.63655%0.551SS**Hα-helixtrans-67.1-25.1173.7-91.8-69.9000113.3L491 V492 H493 I499L491-F495 HydrophobicContact CD2-CD2 4.23Å; L491-F495 HydrophobicContact CD2-CE2 3.8Å; L491-F495 HydrophobicContact CG-CD2 4.33Å; L491-F495 HydrophobicContact CG-CE2 4.22Å; L491-F495 WeakPolarHBondContact O-CB 3.39Å; L491-F495 WeakPolarHBondContact O-CD2 3.15Å; L491-F495 PolarHBondContact O-N 3.35Å; V492-F495 CarbonylContact O-C 3.54Å; V492-F495 WeakPolarHBondContact O-CB 3.36Å; V492-F495 PolarHBondContact O-N 3.36Å; H493-F495 VanDerWaalsContact C-N 3.28Å; H493-F495 PolarHBondContact O-N 3.3Å; F495-I499 WeakPolarHBondContact O-CD1 3.34Å; F495-I499 VanDerWaalsContact O-CG1 3.29Å; F495-I499 WeakPolarHBondContact O-CG1 3.42Å
496M33.9Very low40.4Very low137 Ų137105.9 Ų105.968%0.67555%0.553SS**Hα-helixtrans-86.4-35.5175-72.9-159.17700112.8V492 H493 L494V492-M496 WeakPolarHBondContact O-CG 3.29Å; V492-M496 PolarHBondContact O-N 2.99Å; H493-M496 PolarHBondContact O-N 3.23Å; L494-M496 VanDerWaalsContact C-N 3.28Å; L494-M496 PolarHBondContact O-N 2.87Å
497D34Very low40Very low123 Ų123108 Ų10866%0.65856%0.563SS**Hα-helixtrans-80.7-28.5-178.8-75.7-25.8000113H493 L494 I499H493-D497 WeakPolarHBondContact O-CB 3.34Å; H493-D497 PolarHBondContact O-N 2.83Å; L494-D497 PolarHBondContact O-N 2.87Å; D497-I499 PolarHBondContact O-N 2.78Å
498E33.5Very low39.8Very low147 Ų147111.2 Ų111.269%0.68757%0.569SS**THydrogen-bonded Turntrans-770.3175.2-82.9-169.5158.200114.3L494 T500L494-E498 WeakPolarHBondContact O-CB 3.34Å; L494-E498 PolarHBondContact O-N 3.48Å; E498-T500 PolarHBondContact O-N 3.47Å
499I33Very low39.8Very low104 Ų104109.5 Ų109.553%0.53356%0.562SS.*  trans-83.355171.1-53.1179000109.3F495 D497 M501F495-I499 WeakPolarHBondContact O-CD1 3.34Å; F495-I499 VanDerWaalsContact O-CG1 3.29Å; F495-I499 WeakPolarHBondContact O-CG1 3.42Å; D497-I499 PolarHBondContact O-N 2.78Å; I499-M501 HydrophobicContact CB-CG 4.4Å; I499-M501 HydrophobicContact CG2-CB 4.11Å; I499-M501 HydrophobicContact CG2-CE 4.22Å; I499-M501 HydrophobicContact CG2-CG 3.2Å; I499-M501 PolarHBondContact O-N 2.86Å
500T37.1Very low39.7Very low131 Ų131108.5 Ų108.580%0.80456%0.563SS**  trans-77.669.3151.455.90000107.2E498 D502E498-T500 PolarHBondContact O-N 3.47Å; T500-D502 PolarHBondContact O-N 3.35Å
501M42.3Very low39.6Very low77 Ų77106.2 Ų106.238%0.37956%0.558SS.*  trans-63.3118.5-176.4-85.3-90.4-165.300110.7I499 H505 A506 L509I499-M501 HydrophobicContact CB-CG 4.4Å; I499-M501 HydrophobicContact CG2-CB 4.11Å; I499-M501 HydrophobicContact CG2-CE 4.22Å; I499-M501 HydrophobicContact CG2-CG 3.2Å; I499-M501 PolarHBondContact O-N 2.86Å; M501-H505 HydrophobicContact SD-CB 3.34Å; M501-H505 WeakPolarHBondContact SD-CB 3.21Å; M501-A506 HydrophobicContact CB-CB 4.38Å; M501-L509 HydrophobicContact CE-CD1 4.33Å; M501-L509 HydrophobicContact CE-CD2 4.31Å
502D38.8Very low39.4Very low96 Ų96102.6 Ų102.651%0.51355%0.546SS..  trans-54.7134.2163.8-167.623.9000108.9T500 L504 H505 A506T500-D502 PolarHBondContact O-N 3.35Å; D502-L504 PolarHBondContact O-N 2.85Å; D502-H505 PolarHBondContact O-N 3.36Å; D502-A506 PolarHBondContact O-N 2.84Å
503P41.1Very low39.3Very low97 Ų97103.1 Ų103.163%0.6355%0.546SS*.Hα-helixtrans-53.8-28.9-168-29.135.9000114.8V507P503-V507 WeakPolarHBondContact O-CG2 3.19Å; P503-V507 PolarHBondContact O-N 3.04Å; P503-V507 VanDerWaalsContact O-N 3.16Å
504L40.9Very low39.3Very low109 Ų109104.6 Ų104.657%0.57155%0.551SS**Hα-helixtrans-65.6-41.5174.5-87.3156000112.7D502 V507 Y508D502-L504 PolarHBondContact O-N 2.85Å; L504-V507 WeakPolarHBondContact O-CB 3.37Å; L504-V507 PolarHBondContact O-N 3.26Å; L504-Y508 HydrophobicContact CD2-CE2 4.35Å; L504-Y508 WeakPolarHBondContact O-CD2 3.49Å; L504-Y508 PolarHBondContact O-N 2.83Å
505H41.4Very low39.3Very low111 Ų111103.4 Ų103.451%0.51455%0.548SS..Hα-helixtrans-71-33.2179.1-69.785.7000111.9M501 D502 V507 Y508 L509M501-H505 HydrophobicContact SD-CB 3.34Å; M501-H505 WeakPolarHBondContact SD-CB 3.21Å; D502-H505 PolarHBondContact O-N 3.36Å; H505-V507 VanDerWaalsContact C-N 3.33Å; H505-V507 PolarHBondContact O-N 2.88Å; H505-Y508 PolarHBondContact O-N 2.77Å; H505-L509 WeakPolarHBondContact O-CB 3.4Å; H505-L509 PolarHBondContact O-N 2.74Å
506A42.9Very low39.2Very low38 Ų38102.3 Ų102.331%0.31455%0.548SS..Hα-helixtrans-61.9-40.617000000111.5M501 D502 L509 T510M501-A506 HydrophobicContact CB-CB 4.38Å; D502-A506 PolarHBondContact O-N 2.84Å; A506-L509 PolarHBondContact O-N 3.21Å; A506-T510 WeakPolarHBondContact O-CB 3.47Å; A506-T510 PolarHBondContact O-N 3.01Å; A506-T510 PolarHBondContact O-OG1 3.32Å
507V42.9Very low39.4Very low86 Ų8697.8 Ų97.852%0.52153%0.528SS..Hα-helixtrans-64.3-46.3174.1173.40000111P503 L504 H505 L509 T510 V511P503-V507 WeakPolarHBondContact O-CG2 3.19Å; P503-V507 PolarHBondContact O-N 3.04Å; P503-V507 VanDerWaalsContact O-N 3.16Å; L504-V507 WeakPolarHBondContact O-CB 3.37Å; L504-V507 PolarHBondContact O-N 3.26Å; H505-V507 VanDerWaalsContact C-N 3.33Å; H505-V507 PolarHBondContact O-N 2.88Å; V507-L509 VanDerWaalsContact C-N 3.34Å; V507-L509 PolarHBondContact O-N 3.42Å; V507-T510 PolarHBondContact O-N 3.19Å; V507-V511 HydrophobicContact CG1-CG2 4.12Å; V507-V511 WeakPolarHBondContact O-CB 3.3Å; V507-V511 VanDerWaalsContact O-CG2 3.24Å; V507-V511 WeakPolarHBondContact O-CG2 3.36Å; V507-V511 PolarHBondContact O-N 2.86Å
508Y42.7Very low39.5Very low163 Ų16399.4 Ų99.464%0.63953%0.529SS*.Hα-helixtrans-61.5-40.2177.2-75.8-66.6000112.8L504 H505 G512L504-Y508 HydrophobicContact CD2-CE2 4.35Å; L504-Y508 WeakPolarHBondContact O-CD2 3.49Å; L504-Y508 PolarHBondContact O-N 2.83Å; H505-Y508 PolarHBondContact O-N 2.77Å; Y508-G512 WeakPolarHBondContact O-CA 3.32Å; Y508-G512 PolarHBondContact O-N 3.07Å
509L46.5Very low39.6Very low99 Ų99100.9 Ų100.952%0.51853%0.534SS..Hα-helixtrans-67.1-42.6176.7-162.588.3000110.9M501 H505 A506 V507 G512 L513M501-L509 HydrophobicContact CE-CD1 4.33Å; M501-L509 HydrophobicContact CE-CD2 4.31Å; H505-L509 WeakPolarHBondContact O-CB 3.4Å; H505-L509 PolarHBondContact O-N 2.74Å; A506-L509 PolarHBondContact O-N 3.21Å; V507-L509 VanDerWaalsContact C-N 3.34Å; V507-L509 PolarHBondContact O-N 3.42Å; L509-G512 PolarHBondContact O-N 2.66Å; L509-L513 HydrophobicContact CD2-CD1 4.15Å; L509-L513 HydrophobicContact CG-CD1 3.92Å; L509-L513 WeakPolarHBondContact O-CB 3.5Å; L509-L513 PolarHBondContact O-N 2.77Å
510T42Very low39.8Very low96 Ų96100.9 Ų100.959%0.58954%0.535SS*.Hα-helixtrans-67.4-42.3179.1-490000111.2A506 V507 F514A506-T510 WeakPolarHBondContact O-CB 3.47Å; A506-T510 PolarHBondContact O-N 3.01Å; A506-T510 PolarHBondContact O-OG1 3.32Å; V507-T510 PolarHBondContact O-N 3.19Å; T510-F514 WeakPolarHBondContact O-CB 3.24Å; T510-F514 PolarHBondContact O-N 3.02Å
511V42.1Very low39.8Very low82 Ų82100 Ų10050%0.49753%0.531SS..Hα-helixtrans-66.3-42.2174.4173.60000110.4V507 F514 V515V507-V511 HydrophobicContact CG1-CG2 4.12Å; V507-V511 WeakPolarHBondContact O-CB 3.3Å; V507-V511 VanDerWaalsContact O-CG2 3.24Å; V507-V511 WeakPolarHBondContact O-CG2 3.36Å; V507-V511 PolarHBondContact O-N 2.86Å; V511-F514 PolarHBondContact O-N 3.36Å; V511-V515 HydrophobicContact CG1-CG2 4.48Å; V511-V515 VanDerWaalsContact O-CG2 3.27Å; V511-V515 WeakPolarHBondContact O-CG2 3.42Å; V511-V515 PolarHBondContact O-N 2.71Å
512G37.6Very low39.4Very low30 Ų3099.2 Ų99.231%0.30954%0.543SS..Hα-helixtrans-62.4-45.7176.700000112.6Y508 L509 V515 I516Y508-G512 WeakPolarHBondContact O-CA 3.32Å; Y508-G512 PolarHBondContact O-N 3.07Å; L509-G512 PolarHBondContact O-N 2.66Å; G512-V515 PolarHBondContact O-N 2.93Å; G512-I516 WeakPolarHBondContact O-CD1 3.49Å; G512-I516 VanDerWaalsContact O-CG1 3.23Å; G512-I516 WeakPolarHBondContact O-CG1 3.3Å; G512-I516 PolarHBondContact O-N 3.36Å
513L40.3Very low39.5Very low83 Ų8396.3 Ų96.344%0.43553%0.533SS..Hα-helixtrans-65.1-40.9173-98.5126.6000111.4L509 V515 I516 T517L509-L513 HydrophobicContact CD2-CD1 4.15Å; L509-L513 HydrophobicContact CG-CD1 3.92Å; L509-L513 WeakPolarHBondContact O-CB 3.5Å; L509-L513 PolarHBondContact O-N 2.77Å; L513-V515 VanDerWaalsContact C-N 3.33Å; L513-V515 PolarHBondContact O-N 3.09Å; L513-I516 PolarHBondContact O-N 3.17Å; L513-T517 VanDerWaalsContact O-CB 3.31Å; L513-T517 WeakPolarHBondContact O-CB 3.34Å; L513-T517 PolarHBondContact O-N 2.95Å; L513-T517 PolarHBondContact O-OG1 3.38Å
514F36.7Very low39.2Very low136 Ų13694.4 Ų94.460%0.59652%0.517SS*.Hα-helixtrans-61-42.3176.8-168.9-97000111.6T510 V511 T517 F518T510-F514 WeakPolarHBondContact O-CB 3.24Å; T510-F514 PolarHBondContact O-N 3.02Å; V511-F514 PolarHBondContact O-N 3.36Å; F514-T517 PolarHBondContact O-N 3.26Å; F514-F518 HydrophobicContact CD1-CD2 4.48Å; F514-F518 AromaticContact CE1-CD2 3.8Å; F514-F518 HydrophobicContact CE1-CD2 3.8Å; F514-F518 HydrophobicContact CE1-CE2 4.14Å; F514-F518 HydrophobicContact CZ-CD2 4.02Å; F514-F518 HydrophobicContact CZ-CE2 4.16Å; F514-F518 WeakPolarHBondContact O-CB 3.34Å; F514-F518 PolarHBondContact O-N 3.41Å
515V38.6Very low39Very low81 Ų8195.1 Ų95.149%0.49152%0.521SS..Hα-helixtrans-64.9-40.7175.3172.30000111.6V511 G512 L513 T517V511-V515 HydrophobicContact CG1-CG2 4.48Å; V511-V515 VanDerWaalsContact O-CG2 3.27Å; V511-V515 WeakPolarHBondContact O-CG2 3.42Å; V511-V515 PolarHBondContact O-N 2.71Å; G512-V515 PolarHBondContact O-N 2.93Å; L513-V515 VanDerWaalsContact C-N 3.33Å; L513-V515 PolarHBondContact O-N 3.09Å; V515-T517 VanDerWaalsContact C-N 3.35Å
516I35.7Very low39Very low123 Ų12397 Ų9763%0.63153%0.527SS*.Hα-helixtrans-67.6-36.8176.3-67.7164.9000111.2G512 L513 F519G512-I516 WeakPolarHBondContact O-CD1 3.49Å; G512-I516 VanDerWaalsContact O-CG1 3.23Å; G512-I516 WeakPolarHBondContact O-CG1 3.3Å; G512-I516 PolarHBondContact O-N 3.36Å; L513-I516 PolarHBondContact O-N 3.17Å; I516-F519 PolarHBondContact O-N 3.44Å
517T37.8Very low39Very low41 Ų4198.5 Ų98.525%0.25253%0.533SS..Hα-helixtrans-73.7-35.2-178.8-46.30000111.4L513 F514 V515 F519 N520 N524L513-T517 VanDerWaalsContact O-CB 3.31Å; L513-T517 WeakPolarHBondContact O-CB 3.34Å; L513-T517 PolarHBondContact O-N 2.95Å; L513-T517 PolarHBondContact O-OG1 3.38Å; F514-T517 PolarHBondContact O-N 3.26Å; V515-T517 VanDerWaalsContact C-N 3.35Å; T517-F519 PolarHBondContact O-N 3.46Å; T517-N520 PolarHBondContact O-N 3.29Å; T517-N524 WeakPolarHBondContact CG2-OD1 3.38Å
518F35.6Very low38.8Very low157 Ų15796.7 Ų96.769%0.68952%0.522SS*.Hα-helixtrans-62.6-28.4176.5-139.3-87.2000112.8F514F514-F518 HydrophobicContact CD1-CD2 4.48Å; F514-F518 AromaticContact CE1-CD2 3.8Å; F514-F518 HydrophobicContact CE1-CD2 3.8Å; F514-F518 HydrophobicContact CE1-CE2 4.14Å; F514-F518 HydrophobicContact CZ-CD2 4.02Å; F514-F518 HydrophobicContact CZ-CE2 4.16Å; F514-F518 WeakPolarHBondContact O-CB 3.34Å; F514-F518 PolarHBondContact O-N 3.41Å
519F36.4Very low38.8Very low178 Ų17892.4 Ų92.478%0.78151%0.513SS*.THydrogen-bonded Turntrans-91.7-0.6179.4-87.8-81.7000114.3I516 T517I516-F519 PolarHBondContact O-N 3.44Å; T517-F519 PolarHBondContact O-N 3.46Å
520N37Very low38.6Very low105 Ų10593.2 Ų93.256%0.56151%0.514SS*.  trans-148.789.2-178.1-141.4-32.1000112.9T517 G522 A523T517-N520 PolarHBondContact O-N 3.29Å; N520-G522 PolarHBondContact O-N 3.12Å; N520-G522 VanDerWaalsContact O-N 3.09Å; N520-A523 WeakPolarHBondContact O-CB 3.47Å; N520-A523 PolarHBondContact O-N 3.09Å; N520-A523 VanDerWaalsContact O-N 3.12Å
521P36.8Very low38.7Very low112 Ų11292.6 Ų92.673%0.72751%0.51SS*.THydrogen-bonded Turntrans-64-17.6-173.922-30.7000114.3A523P521-A523 PolarHBondContact O-N 3.27Å
522G34.5Very low38.5Very low61 Ų6189.6 Ų89.663%0.62949%0.493SS*.THydrogen-bonded Turntrans-68.8-14.8174.800000114.9N520N520-G522 PolarHBondContact O-N 3.12Å; N520-G522 VanDerWaalsContact O-N 3.09Å
523A40.3Very low38.6Very low35 Ų3594.4 Ų94.429%0.28951%0.511SS..Hα-helixtrans-80.6-19.8-174.400000114.3N520 P521 L525 F526 V527N520-A523 WeakPolarHBondContact O-CB 3.47Å; N520-A523 PolarHBondContact O-N 3.09Å; N520-A523 VanDerWaalsContact O-N 3.12Å; P521-A523 PolarHBondContact O-N 3.27Å; A523-L525 PolarHBondContact O-N 3.4Å; A523-F526 PolarHBondContact O-N 3.49Å; A523-V527 PolarHBondContact O-N 3.31Å
524N34.7Very low38.8Very low57 Ų5794.9 Ų94.931%0.30553%0.526SS..Hα-helixtrans-61.4-42.4-176.3-92.2-5.4000112.9T517 F526 V528 D551T517-N524 WeakPolarHBondContact CG2-OD1 3.38Å; N524-F526 PolarHBondContact O-N 2.92Å; N524-V528 WeakPolarHBondContact O-CB 3.49Å; N524-V528 VanDerWaalsContact O-CG2 3.3Å; N524-V528 WeakPolarHBondContact O-CG2 3.28Å; N524-V528 PolarHBondContact O-N 3.4Å; N524-D551 PolarHBondContact ND2-OD2 2.79Å; N524-D551 VanDerWaalsContact ND2-OD2 3.07Å
525L37.2Very low39.3Very low124 Ų12491.9 Ų91.965%0.64952%0.522SS*.Hα-helixtrans-67.2-39.1-177.3-170.168000111.6A523 V529A523-L525 PolarHBondContact O-N 3.4Å; L525-V529 HydrophobicContact CD1-CG2 4.44Å; L525-V529 WeakPolarHBondContact O-CB 3.17Å; L525-V529 WeakPolarHBondContact O-CG2 3.34Å; L525-V529 PolarHBondContact O-N 2.81Å
526F39.8Very low39.4Very low149 Ų14991.3 Ų91.365%0.65453%0.533SS*.Hα-helixtrans-73.1-41.1-174.2-158.2-96.7000112.1A523 N524 Q530A523-F526 PolarHBondContact O-N 3.49Å; N524-F526 PolarHBondContact O-N 2.92Å; F526-Q530 HydrophobicContact CD1-CG 4.26Å; F526-Q530 HydrophobicContact CE1-CG 4.12Å; F526-Q530 WeakPolarHBondContact O-CB 3.49Å; F526-Q530 VanDerWaalsContact O-CG 3.29Å; F526-Q530 WeakPolarHBondContact O-CG 3.35Å; F526-Q530 PolarHBondContact O-N 2.79Å; F526-Q530 VanDerWaalsContact O-N 3.09Å
527V43Very low39.6Very low70 Ų7094.8 Ų94.842%0.42454%0.538SS..Hα-helixtrans-73.3-39.6-178.2178.60000111.7A523 Q530 T531A523-V527 PolarHBondContact O-N 3.31Å; V527-Q530 PolarHBondContact O-N 3.13Å; V527-T531 WeakPolarHBondContact O-CB 3.43Å; V527-T531 PolarHBondContact O-N 2.84Å; V527-T531 PolarHBondContact O-OG1 3.34Å
528V40.6Very low39.7Very low49 Ų49103.8 Ų103.830%0.29757%0.567SS.*Hα-helixtrans-70.7-36.8-179.7177.40000111.6N524 T531 S532N524-V528 WeakPolarHBondContact O-CB 3.49Å; N524-V528 VanDerWaalsContact O-CG2 3.3Å; N524-V528 WeakPolarHBondContact O-CG2 3.28Å; N524-V528 PolarHBondContact O-N 3.4Å; V528-T531 PolarHBondContact O-OG1 3.14Å; V528-S532 WeakPolarHBondContact O-CB 3.31Å; V528-S532 PolarHBondContact O-N 2.89Å; V528-S532 PolarHBondContact O-OG 2.74Å
529V42.2Very low39.9Very low73 Ų7399.7 Ų99.744%0.44256%0.562SS.*Hα-helixtrans-66.4-44.7174.41720000110.6L525 S532 L533L525-V529 HydrophobicContact CD1-CG2 4.44Å; L525-V529 WeakPolarHBondContact O-CB 3.17Å; L525-V529 WeakPolarHBondContact O-CG2 3.34Å; L525-V529 PolarHBondContact O-N 2.81Å; V529-S532 PolarHBondContact O-N 2.95Å; V529-L533 HydrophobicContact CG1-CD1 3.72Å; V529-L533 HydrophobicContact CG1-CG 4.39Å; V529-L533 WeakPolarHBondContact O-CB 3.37Å; V529-L533 VanDerWaalsContact O-CG 3.26Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.58Å
530Q41.2Very low40.1Very low115 Ų11591.9 Ų91.954%0.53753%0.532SS..Hα-helixtrans-63-45.6177.8-81-93.6-40.200112.6F526 V527 L533 A534F526-Q530 HydrophobicContact CD1-CG 4.26Å; F526-Q530 HydrophobicContact CE1-CG 4.12Å; F526-Q530 WeakPolarHBondContact O-CB 3.49Å; F526-Q530 VanDerWaalsContact O-CG 3.29Å; F526-Q530 WeakPolarHBondContact O-CG 3.35Å; F526-Q530 PolarHBondContact O-N 2.79Å; F526-Q530 VanDerWaalsContact O-N 3.09Å; V527-Q530 PolarHBondContact O-N 3.13Å; Q530-L533 PolarHBondContact O-N 3.18Å; Q530-A534 WeakPolarHBondContact O-CB 3.36Å; Q530-A534 PolarHBondContact O-N 3.26Å
531T43.8Very low40.4Very low83 Ų8391 Ų9151%0.50953%0.531SS..Hα-helixtrans-70.4-30.8179.344.40000113.2V527 V528 S535V527-T531 WeakPolarHBondContact O-CB 3.43Å; V527-T531 PolarHBondContact O-N 2.84Å; V527-T531 PolarHBondContact O-OG1 3.34Å; V528-T531 PolarHBondContact O-OG1 3.14Å; T531-S535 WeakPolarHBondContact O-CB 3.29Å; T531-S535 PolarHBondContact O-N 3.47Å; T531-S535 PolarHBondContact O-OG 3.5Å
532S39Very low40.6Very low20 Ų2092.2 Ų92.214%0.1453%0.53CS..Hα-helixtrans-71.1-41171.4-82.80000112.9V528 V529 A534 S535 G536 G540V528-S532 WeakPolarHBondContact O-CB 3.31Å; V528-S532 PolarHBondContact O-N 2.89Å; V528-S532 PolarHBondContact O-OG 2.74Å; V529-S532 PolarHBondContact O-N 2.95Å; S532-A534 VanDerWaalsContact C-N 3.32Å; S532-S535 PolarHBondContact O-N 2.84Å; S532-G536 PolarHBondContact O-N 3.43Å; S532-G540 VanDerWaalsContact OG-CA 3.3Å; S532-G540 WeakPolarHBondContact OG-CA 3.42Å; S532-G540 PolarHBondContact OG-O 3.45Å
533L39.8Very low41Very low131 Ų13193.7 Ų93.769%0.68653%0.527SS*.Hα-helixtrans-64.8-38.4176.1-74.1168.6000111.3V529 Q530V529-L533 HydrophobicContact CG1-CD1 3.72Å; V529-L533 HydrophobicContact CG1-CG 4.39Å; V529-L533 WeakPolarHBondContact O-CB 3.37Å; V529-L533 VanDerWaalsContact O-CG 3.26Å; V529-L533 WeakPolarHBondContact O-CG 3.49Å; V529-L533 PolarHBondContact O-N 2.58Å; Q530-L533 PolarHBondContact O-N 3.18Å
534A43.6Very low41.3Very low92 Ų9292.8 Ų92.876%0.7652%0.521SS*.Hα-helixtrans-70.7-28.7177.500000113.8Q530 S532Q530-A534 WeakPolarHBondContact O-CB 3.36Å; Q530-A534 PolarHBondContact O-N 3.26Å; S532-A534 VanDerWaalsContact C-N 3.32Å
535S48.1Very low41.6Very low74 Ų7494.8 Ų94.852%0.51753%0.531SS..Hα-helixtrans-99.3-7.3-174.863.10000115.4T531 S532 R537T531-S535 WeakPolarHBondContact O-CB 3.29Å; T531-S535 PolarHBondContact O-N 3.47Å; T531-S535 PolarHBondContact O-OG 3.5Å; S532-S535 PolarHBondContact O-N 2.84Å; S535-R537 PolarHBondContact O-N 3.06Å
536G40.2Very low41.7Very low69 Ų6990.9 Ų90.971%0.71152%0.521SS*.  trans64.610.8167.800000116.7S532S532-G536 PolarHBondContact O-N 3.43Å
537R40.2Very low42Very low196 Ų19687.1 Ų87.174%0.7451%0.51SS*.  trans-108.6120.4-178.4-69.4-176.7-170.1177.14.3111.7S535 A539 G540S535-R537 PolarHBondContact O-N 3.06Å; R537-A539 PolarHBondContact O-N 2.91Å; R537-G540 PolarHBondContact O-N 3.33Å
538R39.9Very low42Very low229 Ų22985.5 Ų85.586%0.86450%0.504SS*.THydrogen-bonded Turntrans-52.4-22.8179.5-69.7-177.6178.7175.4-0.6115G540 V541R538-G540 PolarHBondContact O-N 2.9Å; R538-V541 PolarHBondContact O-N 3.44Å
539A40.5Very low42Very low71 Ų7188 Ų8859%0.58752%0.515SS*.Hα-helixtrans-61.6-31.7175.600000112.9R537 V541 L542 T543R537-A539 PolarHBondContact O-N 2.91Å; A539-V541 VanDerWaalsContact C-N 3.3Å; A539-V541 PolarHBondContact O-N 3.12Å; A539-L542 PolarHBondContact O-N 3.49Å; A539-T543 PolarHBondContact O-N 2.71Å; A539-T543 PolarHBondContact O-OG1 2.99Å; A539-T543 VanDerWaalsContact O-OG1 3.06Å
540G40Very low42Very low14 Ų1486 Ų8614%0.14451%0.51CS..Hα-helixtrans-67-28.1178.800000114S532 R537 R538 T543 G544S532-G540 VanDerWaalsContact OG-CA 3.3Å; S532-G540 WeakPolarHBondContact OG-CA 3.42Å; S532-G540 PolarHBondContact OG-O 3.45Å; R537-G540 PolarHBondContact O-N 3.33Å; R538-G540 PolarHBondContact O-N 2.9Å; G540-T543 WeakPolarHBondContact CA-OG1 3.33Å; G540-T543 PolarHBondContact O-OG1 2.81Å; G540-G544 PolarHBondContact O-N 3.34Å
541V42.3Very low42.1Very low88 Ų8883.5 Ų83.553%0.53350%0.5SS..Hα-helixtrans-73.3-37.4177.6179.20000111R538 A539 L545R538-V541 PolarHBondContact O-N 3.44Å; A539-V541 VanDerWaalsContact C-N 3.3Å; A539-V541 PolarHBondContact O-N 3.12Å; V541-L545 HydrophobicContact CG1-CD1 4.12Å; V541-L545 VanDerWaalsContact O-CB 3.29Å; V541-L545 WeakPolarHBondContact O-CB 3.35Å; V541-L545 PolarHBondContact O-N 3.25Å
542L40.8Very low42Very low136 Ų13682.1 Ų82.171%0.71250%0.497SS*.Hα-helixtrans-71.8-39177-94.7148.2000112.2A539 G546A539-L542 PolarHBondContact O-N 3.49Å; L542-G546 PolarHBondContact O-N 3.17Å
543T44.7Very low41.8Very low93 Ų9388.3 Ų88.357%0.57152%0.522SS*.Hα-helixtrans-68.2-40.7171.237.20000111.7A539 G540 G546 V547A539-T543 PolarHBondContact O-N 2.71Å; A539-T543 PolarHBondContact O-OG1 2.99Å; A539-T543 VanDerWaalsContact O-OG1 3.06Å; G540-T543 WeakPolarHBondContact CA-OG1 3.33Å; G540-T543 PolarHBondContact O-OG1 2.81Å; T543-G546 PolarHBondContact O-N 3Å; T543-V547 WeakPolarHBondContact O-CG2 3.33Å; T543-V547 PolarHBondContact O-N 3.3Å
544G44.9Very low41.8Very low16 Ų1688.8 Ų88.817%0.16552%0.515CS..Hα-helixtrans-63.1-39.8174.400000113.3G540 A548G540-G544 PolarHBondContact O-N 3.34Å; G544-A548 WeakPolarHBondContact O-CB 3.34Å; G544-A548 PolarHBondContact O-N 2.95Å
545L41.2Very low41.9Very low98 Ų9889.2 Ų89.251%0.51351%0.513SS..Hα-helixtrans-67.6-38.2171.6-97.7155.7000112.2V541 A548 L549V541-L545 HydrophobicContact CG1-CD1 4.12Å; V541-L545 VanDerWaalsContact O-CB 3.29Å; V541-L545 WeakPolarHBondContact O-CB 3.35Å; V541-L545 PolarHBondContact O-N 3.25Å; L545-A548 PolarHBondContact O-N 3.24Å; L545-L549 WeakPolarHBondContact O-CB 3.44Å; L545-L549 WeakPolarHBondContact O-CG 3.28Å; L545-L549 PolarHBondContact O-N 3.22Å
546G40.3Very low41.4Very low42 Ų4288.6 Ų88.643%0.43352%0.518SS..Hα-helixtrans-64.5-41.3175.700000112.5L542 T543 G550L542-G546 PolarHBondContact O-N 3.17Å; T543-G546 PolarHBondContact O-N 3Å; G546-G550 PolarHBondContact O-N 2.78Å
547V45.4Very low40.8Very low71 Ų7191.3 Ų91.343%0.4352%0.515SS..Hα-helixtrans-71.4-41.5174.8175.20000110.8T543 L549 G550 D551T543-V547 WeakPolarHBondContact O-CG2 3.33Å; T543-V547 PolarHBondContact O-N 3.3Å; V547-L549 VanDerWaalsContact C-N 3.35Å; V547-L549 PolarHBondContact O-N 3.43Å; V547-G550 CarbonylContact O-C 3.56Å; V547-G550 PolarHBondContact O-N 2.89Å; V547-D551 VanDerWaalsContact O-CB 3.32Å; V547-D551 WeakPolarHBondContact O-CB 3.43Å; V547-D551 PolarHBondContact O-N 3.28Å
548A42.6Very low40.6Very low36 Ų3684.6 Ų84.630%0.29851%0.507SS..Hα-helixtrans-66.2-34.9175.400000112.5G544 L545 A552G544-A548 WeakPolarHBondContact O-CB 3.34Å; G544-A548 PolarHBondContact O-N 2.95Å; L545-A548 PolarHBondContact O-N 3.24Å; A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 2.91Å
549L42.3Very low40.4Very low100 Ų10081.9 Ų81.952%0.52451%0.509SS..Hα-helixtrans-69.3-41.5170.9-82163.3000110.7L545 V547 A552 F553L545-L549 WeakPolarHBondContact O-CB 3.44Å; L545-L549 WeakPolarHBondContact O-CG 3.28Å; L545-L549 PolarHBondContact O-N 3.22Å; V547-L549 VanDerWaalsContact C-N 3.35Å; V547-L549 PolarHBondContact O-N 3.43Å; L549-A552 PolarHBondContact O-N 3.32Å; L549-F553 WeakPolarHBondContact O-CB 3.36Å; L549-F553 WeakPolarHBondContact O-CD2 3.45Å; L549-F553 PolarHBondContact O-N 3.04Å
550G41.6Very low40.1Very low32 Ų3288.1 Ų88.133%0.3352%0.523SS..Hα-helixtrans-58.2-46.1172.300000112.3G546 V547 F553 Y554G546-G550 PolarHBondContact O-N 2.78Å; V547-G550 CarbonylContact O-C 3.56Å; V547-G550 PolarHBondContact O-N 2.89Å; G550-F553 WeakPolarHBondContact O-CB 3.46Å; G550-F553 PolarHBondContact O-N 3.37Å; G550-Y554 WeakPolarHBondContact O-CB 3.31Å; G550-Y554 PolarHBondContact O-N 3.42Å
551D43.9Very low39.8Very low63 Ų6389.8 Ų89.834%0.33754%0.54SS..Hα-helixtrans-72.2-32.9178.2-78.7-6.2000111.9N524 V547 Y554 S555N524-D551 PolarHBondContact ND2-OD2 2.79Å; N524-D551 VanDerWaalsContact ND2-OD2 3.07Å; V547-D551 VanDerWaalsContact O-CB 3.32Å; V547-D551 WeakPolarHBondContact O-CB 3.43Å; V547-D551 PolarHBondContact O-N 3.28Å; D551-Y554 PolarHBondContact O-N 2.79Å; D551-S555 VanDerWaalsContact O-CB 3.24Å; D551-S555 WeakPolarHBondContact O-CB 3.28Å; D551-S555 PolarHBondContact O-N 2.82Å; D551-S555 PolarHBondContact O-OG 3.21Å
552A40.6Very low39.4Very low53 Ų5387.7 Ų87.744%0.43853%0.526SS..Hα-helixtrans-68.9-37171.300000111.5A548 L549 S555 G556A548-A552 WeakPolarHBondContact O-CB 3.29Å; A548-A552 PolarHBondContact O-N 2.91Å; L549-A552 PolarHBondContact O-N 3.32Å; A552-S555 WeakPolarHBondContact CA-OG 3.36Å; A552-G556 PolarHBondContact O-N 3Å
553F35Very low39.2Very low151 Ų15184.8 Ų84.866%0.66252%0.522SS*.Hα-helixtrans-67.3-37.7169.8-96.1-85.2000111.6L549 G550L549-F553 WeakPolarHBondContact O-CB 3.36Å; L549-F553 WeakPolarHBondContact O-CD2 3.45Å; L549-F553 PolarHBondContact O-N 3.04Å; G550-F553 WeakPolarHBondContact O-CB 3.46Å; G550-F553 PolarHBondContact O-N 3.37Å
554Y40Very low38.6Very low140 Ų14085.4 Ų85.455%0.54953%0.525SS..Hα-helixtrans-72.3-36.2178.5-112.5-88.9000113.8G550 D551 L562G550-Y554 WeakPolarHBondContact O-CB 3.31Å; G550-Y554 PolarHBondContact O-N 3.42Å; D551-Y554 PolarHBondContact O-N 2.79Å; Y554-L562 HydrophobicContact CD1-CD1 4.21Å; Y554-L562 HydrophobicContact CD2-CD1 4.45Å; Y554-L562 HydrophobicContact CE1-CD1 3.93Å; Y554-L562 HydrophobicContact CE1-CD2 3.74Å; Y554-L562 HydrophobicContact CE1-CG 4.47Å; Y554-L562 HydrophobicContact CE2-CD1 4.18Å; Y554-L562 HydrophobicContact CG-CD1 4.47Å; Y554-L562 VanDerWaalsContact OH-CD2 3.29Å; Y554-L562 WeakPolarHBondContact OH-CD2 3.23Å
555S45.6Very low38.1Very low101 Ų10190 Ų9071%0.70655%0.545SS*.Hα-helixtrans-85.5-20.2179.2560000112.9D551 A552D551-S555 VanDerWaalsContact O-CB 3.24Å; D551-S555 WeakPolarHBondContact O-CB 3.28Å; D551-S555 PolarHBondContact O-N 2.82Å; D551-S555 PolarHBondContact O-OG 3.21Å; A552-S555 WeakPolarHBondContact CA-OG 3.36Å
556G37.3Very low37.9Very low61 Ų6190.9 Ų90.963%0.62955%0.549SS*.Hα-helixtrans-89.5-15.7-177.500000116.2A552A552-G556 PolarHBondContact O-N 3Å
557L28.3Very low38Very low126 Ų12694.5 Ų94.566%0.6656%0.563SS**SBendtrans-128.9109.2179.7-93.5141.9000109.9
558G35Very low37.7Very low55 Ų5599.2 Ų99.257%0.56758%0.581SS**  trans-46.5146.1-164.100000115.7F560 G561G558-F560 PolarHBondContact O-N 2.97Å; G558-G561 PolarHBondContact O-N 3.01Å
559L37.6Very low37.4Very low173 Ų173100.1 Ų100.191%0.90658%0.584SS**Hα-helixtrans-40-17.2172.8-96.4116.5000115.9
560F33.5Very low37.1Very low202 Ų202103.9 Ų103.989%0.88660%0.599SS**Hα-helixtrans-80.2-26.2177.3-150.8-98.2000114G558G558-F560 PolarHBondContact O-N 2.97Å
561G33.4Very low36.9Very low48 Ų48110.8 Ų110.850%0.49562%0.623SS.*Hα-helixtrans-89-20.7-176.300000115.2G558 T564G558-G561 PolarHBondContact O-N 3.01Å; G561-T564 PolarHBondContact O-OG1 3.3Å
562L34.3Very low36.7Very low44 Ų44113.1 Ų113.123%0.2363%0.634CS.*Hα-helixtrans-98.5-22.6-169.2-151.2142.9000113.1Y554 T564 L565 I566Y554-L562 HydrophobicContact CD1-CD1 4.21Å; Y554-L562 HydrophobicContact CD2-CD1 4.45Å; Y554-L562 HydrophobicContact CE1-CD1 3.93Å; Y554-L562 HydrophobicContact CE1-CD2 3.74Å; Y554-L562 HydrophobicContact CE1-CG 4.47Å; Y554-L562 HydrophobicContact CE2-CD1 4.18Å; Y554-L562 HydrophobicContact CG-CD1 4.47Å; Y554-L562 VanDerWaalsContact OH-CD2 3.29Å; Y554-L562 WeakPolarHBondContact OH-CD2 3.23Å; L562-T564 PolarHBondContact O-N 3.47Å; L562-L565 PolarHBondContact O-N 2.83Å; L562-I566 HydrophobicContact CD2-CD1 3.53Å; L562-I566 HydrophobicContact CD2-CG1 3.66Å; L562-I566 PolarHBondContact O-N 3.38Å
563A36.7Very low36.5Very low76 Ų76117.7 Ų117.763%0.62865%0.645SS**THydrogen-bonded Turntrans-58.5-28.8167.600000112
564T32.2Very low36.7Very low105 Ų105113.8 Ų113.864%0.64464%0.636SS**THydrogen-bonded Turntrans-79.8-1917426.90000114.6G561 L562 T567G561-T564 PolarHBondContact O-OG1 3.3Å; L562-T564 PolarHBondContact O-N 3.47Å; T564-T567 PolarHBondContact O-OG1 3.21Å
565L33.2Very low36.8Very low112 Ų112113 Ų11359%0.58664%0.641SS**THydrogen-bonded Turntrans-94.9-31.9-175.5-150.593.8000112.8L562 T567 Q568L562-L565 PolarHBondContact O-N 2.83Å; L565-T567 PolarHBondContact O-N 2.82Å; L565-T567 VanDerWaalsContact O-N 3.17Å; L565-Q568 PolarHBondContact O-N 3.42Å; L565-Q568 VanDerWaalsContact O-N 3.1Å
566I37.7Very low36.5Very low117 Ų117113.4 Ų113.460%0.663%0.634SS**G310 helixtrans-60.3-27-177.6-73.6168.3000112.4L562 Q568L562-I566 HydrophobicContact CD2-CD1 3.53Å; L562-I566 HydrophobicContact CD2-CG1 3.66Å; L562-I566 PolarHBondContact O-N 3.38Å; I566-Q568 PolarHBondContact O-N 3.49Å
567T41.9Very low36.7Very low118 Ų118120.7 Ų120.772%0.72464%0.642SS**G310 helixtrans-69.7-11.3177.626.50000114.8T564 L565T564-T567 PolarHBondContact O-OG1 3.21Å; L565-T567 PolarHBondContact O-N 2.82Å; L565-T567 VanDerWaalsContact O-N 3.17Å
568Q39.4Very low37.5Very low170 Ų170120.2 Ų120.279%0.79464%0.639SS**G310 helixtrans-114.23.2-171.7-73.2-161.1-23.800117L565 I566L565-Q568 PolarHBondContact O-N 3.42Å; L565-Q568 VanDerWaalsContact O-N 3.1Å; I566-Q568 PolarHBondContact O-N 3.49Å
569C36.7Very low38Very low56 Ų56122.3 Ų122.338%0.37864%0.641SS.*  trans-121.539.2-172.2-70.70000115.4E571C569-E571 VanDerWaalsContact C-N 3.31Å; C569-E571 PolarHBondContact O-N 2.95Å
570E36.5Very low38.2Very low179 Ų179115.8 Ų115.884%0.83662%0.616SS**Hα-helixtrans-60.5-32.4178.2-96.5-169.7152.600114.2I572 F573E570-I572 PolarHBondContact O-N 3.46Å; E570-F573 PolarHBondContact O-N 2.85Å
571E36.6Very low38.5Very low177 Ų177107.8 Ų107.883%0.82759%0.59SS**Hα-helixtrans-71.2-32.8-173.4-66.9-150.7161.600114C569 F573 S574C569-E571 VanDerWaalsContact C-N 3.31Å; C569-E571 PolarHBondContact O-N 2.95Å; E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 2.92Å; E571-S574 PolarHBondContact O-N 2.84Å
572I38.7Very low39Very low112 Ų112108.4 Ų108.457%0.57459%0.59SS**Hα-helixtrans-68.6-34.9-179.3-63.5175.2000110.8E570 S574 L575 I576E570-I572 PolarHBondContact O-N 3.46Å; I572-S574 VanDerWaalsContact C-N 3.33Å; I572-S574 PolarHBondContact O-N 3.48Å; I572-L575 PolarHBondContact O-N 3.48Å; I572-I576 HydrophobicContact CG2-CD1 4.18Å; I572-I576 WeakPolarHBondContact O-CG1 3.5Å; I572-I576 PolarHBondContact O-N 2.89Å
573F37Very low39.8Very low149 Ų149113.3 Ų113.365%0.65461%0.607SS**Hα-helixtrans-66.5-32.8178.3-86.2-80.5000113.1E570 E571 R577E570-F573 PolarHBondContact O-N 2.85Å; E571-F573 VanDerWaalsContact C-N 3.33Å; E571-F573 PolarHBondContact O-N 2.92Å; F573-R577 PolarHBondContact O-N 3.34Å
574S40.2Very low40.2Very low69 Ų69115.4 Ų115.448%0.48361%0.607SS.*Hα-helixtrans-67.9-41.3179.3-164.10000111.7E571 I572 I576 R577 I578E571-S574 PolarHBondContact O-N 2.84Å; I572-S574 VanDerWaalsContact C-N 3.33Å; I572-S574 PolarHBondContact O-N 3.48Å; S574-I576 PolarHBondContact O-N 2.91Å; S574-R577 PolarHBondContact O-N 2.89Å; S574-I578 WeakPolarHBondContact O-CG1 3.42Å; S574-I578 PolarHBondContact O-N 3.43Å; S574-I578 VanDerWaalsContact O-N 3.15Å
575L40.6Very low41Very low124 Ų124116.8 Ų116.865%0.64961%0.609SS**Hα-helixtrans-63.3-43178.7-159.386.7000112I572 R577 I578 V579I572-L575 PolarHBondContact O-N 3.48Å; L575-R577 VanDerWaalsContact C-N 3.32Å; L575-R577 PolarHBondContact O-N 3.44Å; L575-I578 PolarHBondContact O-N 3.29Å; L575-V579 WeakPolarHBondContact O-CG2 3.37Å; L575-V579 PolarHBondContact O-N 2.83Å; L575-V579 VanDerWaalsContact O-N 3.14Å
576I40.5Very low42.6Very low109 Ų109119.4 Ų119.456%0.55961%0.612SS**Hα-helixtrans-62.8-39.7179-65.2169.7000110.9I572 S574 G580I572-I576 HydrophobicContact CG2-CD1 4.18Å; I572-I576 WeakPolarHBondContact O-CG1 3.5Å; I572-I576 PolarHBondContact O-N 2.89Å; S574-I576 PolarHBondContact O-N 2.91Å; I576-G580 PolarHBondContact O-N 3.41Å
577R40.2Very low43.4Very low213 Ų213120.2 Ų120.280%0.80461%0.611SS**Hα-helixtrans-64.3-42176.5-89.9-176.8165.4175.7-2.3112.8F573 S574 L575 G581F573-R577 PolarHBondContact O-N 3.34Å; S574-R577 PolarHBondContact O-N 2.89Å; L575-R577 VanDerWaalsContact C-N 3.32Å; L575-R577 PolarHBondContact O-N 3.44Å; R577-G581 PolarHBondContact O-N 2.88Å
578I44.9Very low43.7Very low117 Ų117116.8 Ų116.860%0.660%0.595SS**Hα-helixtrans-65.3-44.8-179.5-66.5167.6000110.6S574 L575 G581 A582S574-I578 WeakPolarHBondContact O-CG1 3.42Å; S574-I578 PolarHBondContact O-N 3.43Å; S574-I578 VanDerWaalsContact O-N 3.15Å; L575-I578 PolarHBondContact O-N 3.29Å; I578-G581 PolarHBondContact O-N 2.87Å; I578-A582 PolarHBondContact O-N 2.87Å; I578-A582 VanDerWaalsContact O-N 3.12Å
579V46.9Very low44.4Very low98 Ų98116.3 Ų116.359%0.59459%0.586SS**Hα-helixtrans-67.1-42.8179.9178.10000111.4L575 A582 Y583L575-V579 WeakPolarHBondContact O-CG2 3.37Å; L575-V579 PolarHBondContact O-N 2.83Å; L575-V579 VanDerWaalsContact O-N 3.14Å; V579-A582 PolarHBondContact O-N 3.25Å; V579-Y583 PolarHBondContact O-N 3.41Å
580G41.4Very low45.3Very low37 Ų37116.6 Ų116.638%0.38159%0.588SS.*Hα-helixtrans-63.5-40.2176.700000113.2I576 Y583 L584I576-G580 PolarHBondContact O-N 3.41Å; G580-Y583 PolarHBondContact O-N 2.9Å; G580-L584 PolarHBondContact O-N 3.47Å
581G39.8Very low46Very low33 Ų33111.7 Ų111.734%0.3457%0.573SS.*Hα-helixtrans-64.6-41.8176.600000113.2R577 I578 Y583 L584 L585R577-G581 PolarHBondContact O-N 2.88Å; I578-G581 PolarHBondContact O-N 2.87Å; G581-Y583 VanDerWaalsContact C-N 3.34Å; G581-Y583 PolarHBondContact O-N 2.88Å; G581-L584 PolarHBondContact O-N 3.16Å; G581-L585 PolarHBondContact O-N 3.32Å
582A43.9Very low46.4Very low62 Ų62109.7 Ų109.751%0.51257%0.566SS.*Hα-helixtrans-63.2-39177.300000112.5I578 V579 W586I578-A582 PolarHBondContact O-N 2.87Å; I578-A582 VanDerWaalsContact O-N 3.12Å; V579-A582 PolarHBondContact O-N 3.25Å; A582-W586 PolarHBondContact O-N 2.95Å; A582-W586 VanDerWaalsContact O-N 3.11Å
583Y50.6Low46.5Very low146 Ų146114.1 Ų114.157%0.57358%0.575SS**Hα-helixtrans-67-41178.5-176.6-99.3000112.7V579 G580 G581 W586 F587V579-Y583 PolarHBondContact O-N 3.41Å; G580-Y583 PolarHBondContact O-N 2.9Å; G581-Y583 VanDerWaalsContact C-N 3.34Å; G581-Y583 PolarHBondContact O-N 2.88Å; Y583-W586 HydrophobicContact CD2-CE3 4.34Å; Y583-W586 PolarHBondContact O-N 2.87Å; Y583-F587 PolarHBondContact O-N 2.87Å
584L44.9Very low46.7Very low120 Ų120117.4 Ų117.463%0.62858%0.583SS**Hα-helixtrans-65.9-40.1177.9-74.7170.2000112.4G580 G581 F587 A588G580-L584 PolarHBondContact O-N 3.47Å; G581-L584 PolarHBondContact O-N 3.16Å; L584-F587 PolarHBondContact O-N 3.49Å; L584-A588 WeakPolarHBondContact O-CB 3.49Å; L584-A588 PolarHBondContact O-N 3.13Å
585L49.7Very low46.3Very low134 Ų134122.7 Ų122.770%0.70260%0.6SS**Hα-helixtrans-63.7-41174.7-82.2165.1000111.9G581 W589G581-L585 PolarHBondContact O-N 3.32Å; L585-W589 WeakPolarHBondContact O-CB 3.32Å; L585-W589 PolarHBondContact O-N 3.13Å
586W67Low45.9Very low168 Ų168122.2 Ų122.264%0.63661%0.607SS**Hα-helixtrans-63.2-45.3175.2-18019.3000111.8A582 Y583 W589 C590A582-W586 PolarHBondContact O-N 2.95Å; A582-W586 VanDerWaalsContact O-N 3.11Å; Y583-W586 HydrophobicContact CD2-CE3 4.34Å; Y583-W586 PolarHBondContact O-N 2.87Å; W586-W589 PolarHBondContact O-N 3.36Å; W586-C590 PolarHBondContact NE1-SG 2.92Å; W586-C590 PolarHBondContact O-N 3.29Å
587F55Low45.4Very low133 Ų133123.4 Ų123.458%0.58362%0.619SS**Hα-helixtrans-62.5-44.6178.6-173.1-94.3000112.4Y583 L584 W589 C590 S591Y583-F587 PolarHBondContact O-N 2.87Å; L584-F587 PolarHBondContact O-N 3.49Å; F587-W589 VanDerWaalsContact C-N 3.34Å; F587-W589 PolarHBondContact O-N 2.93Å; F587-C590 PolarHBondContact O-N 3.23Å; F587-S591 PolarHBondContact O-N 2.84Å
588A48.1Very low45Very low46 Ų46119.2 Ų119.238%0.3862%0.62SS.*Hα-helixtrans-61.6-41.1176.500000112.1L584 S591 M592L584-A588 WeakPolarHBondContact O-CB 3.49Å; L584-A588 PolarHBondContact O-N 3.13Å; A588-S591 PolarHBondContact O-N 3.15Å; A588-M592 PolarHBondContact O-N 3.03Å; A588-M592 VanDerWaalsContact O-N 3.11Å
589W53Low44.1Very low161 Ų161123.3 Ų123.361%0.6164%0.637SS**Hα-helixtrans-62.3-43.2176.1-174-94.3000112.7L585 W586 F587 S591L585-W589 WeakPolarHBondContact O-CB 3.32Å; L585-W589 PolarHBondContact O-N 3.13Å; W586-W589 PolarHBondContact O-N 3.36Å; F587-W589 VanDerWaalsContact C-N 3.34Å; F587-W589 PolarHBondContact O-N 2.93Å; W589-S591 VanDerWaalsContact C-N 3.33Å; W589-S591 PolarHBondContact O-N 3.12Å
590C55.7Low43Very low62 Ų62127.8 Ų127.842%0.41965%0.653SS.*Hα-helixtrans-66-34.8176.6-75.50000112.9W586 F587W586-C590 PolarHBondContact NE1-SG 2.92Å; W586-C590 PolarHBondContact O-N 3.29Å; F587-C590 PolarHBondContact O-N 3.23Å
591S50.7Low42.2Very low75 Ų75131 Ų13152%0.52467%0.67SS.*Hα-helixtrans-69.1-44.2179.1-167.40000112.1F587 A588 W589 R593 R594F587-S591 PolarHBondContact O-N 2.84Å; A588-S591 PolarHBondContact O-N 3.15Å; W589-S591 VanDerWaalsContact C-N 3.33Å; W589-S591 PolarHBondContact O-N 3.12Å; S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 2.99Å; S591-R594 PolarHBondContact O-N 2.99Å
592M45Very low41.5Very low136 Ų136135.6 Ų135.667%0.6769%0.692SS**Hα-helixtrans-63.9-30.1-179.8-75.3-171.4-7300113.7A588 R594A588-M592 PolarHBondContact O-N 3.03Å; A588-M592 VanDerWaalsContact O-N 3.11Å; M592-R594 PolarHBondContact O-N 3.41Å
593R42.1Very low40.9Very low205 Ų205141.1 Ų141.177%0.77471%0.712SS**THydrogen-bonded Turntrans-70.7-10.7177.9-87.9-163.9174.1-159.9-0.9114.8S591S591-R593 VanDerWaalsContact C-N 3.3Å; S591-R593 PolarHBondContact O-N 2.99Å
594R40.7Very low39.6Very low217 Ų217142.8 Ų142.882%0.81973%0.725SS**THydrogen-bonded Turntrans-95.7-1.4-175.6-73.1-171.9-175.2-172.91.6115.3S591 M592 S596S591-R594 PolarHBondContact O-N 2.99Å; M592-R594 PolarHBondContact O-N 3.41Å; R594-S596 PolarHBondContact O-N 2.94Å; R594-S596 VanDerWaalsContact O-N 3.16Å
595Q32.1Very low38.9Very low181 Ų181146 Ų14685%0.84674%0.737SS**  trans-8681.4172.8-71.9-172.7-5.600110.9
596S32.6Very low38.2Very low114 Ų114145.1 Ų145.180%0.79774%0.739SS**PPolyproline II helixtrans-78.3133.1160.744.90000110R594R594-S596 PolarHBondContact O-N 2.94Å; R594-S596 VanDerWaalsContact O-N 3.16Å
597T30.1Very low36.6Very low133 Ų133145.3 Ų145.382%0.81675%0.75SS**PPolyproline II helixtrans-56149.5-168.630.40000116.6
598P31.5Very low35.2Very low126 Ų126144.7 Ų144.782%0.81876%0.763SS**PPolyproline II helixtrans-88.8139.2-173.534.9-32.8000112.9
599Q26.2Very low34.4Very low203 Ų203146.2 Ų146.295%0.94978%0.775SS**PPolyproline II helixtrans-97.7134.7168.7-81-171.8-1400111.3
600M22.6Very low33.1Very low191 Ų191144.6 Ų144.694%0.94179%0.785SS**  trans-122.2118.9-169.4-173.9-176.2179.600107.1
601S25.7Very low32Very low106 Ų106147.4 Ų147.474%0.74181%0.805SS**  trans-166.4100.616156.90000112.3
602T25.4Very low30.9Very low128 Ų128152.6 Ų152.679%0.78582%0.82SS**  trans33.3118.1130.3540000120.5
603L29.4Very low30.1Very low179 Ų179150.3 Ų150.394%0.93782%0.824SS**  trans-145.6109.4137.8-100.9162.4000109.5
604Q24.8Very low29.8Very low180 Ų180150.2 Ų150.284%0.84183%0.829SS**  trans-77.4134.5164.8-74.9164-62.400109.2
605Q29Very low29.4Very low188 Ų188143 Ų14388%0.87981%0.811SS**  -174.1155.3125-101-166.36.900111.9
606P35.9Very low29.6Very low116 Ų116140.8 Ų140.875%0.75381%0.805SS**  trans-101.3140.7-164.136.9-28.6000112.9
607I33.5Very low29.8Very low171 Ų171138.9 Ų138.988%0.87779%0.79SS**  trans-122.5111.1161.8-63.4174.6000107.8
608S26.2Very low30.3Very low120 Ų120135 Ų13584%0.83977%0.771SS**  trans-70.8117.5168.848.30000110.7
609A29.7Very low30.7Very low78 Ų78133.8 Ų133.865%0.64576%0.761SS**  trans-147130.1154.400000108.8C611A609-C611 PolarHBondContact O-N 3.32Å; A609-C611 VanDerWaalsContact O-N 3.12Å
610P27.1Very low31.2Very low127 Ų127133.7 Ų133.783%0.82575%0.752SS**  trans-8688-173.634.1-30.9000109.7Q612P610-Q612 PolarHBondContact O-N 2.93Å
611C31.6Very low32.1Very low122 Ų122132.5 Ų132.582%0.82474%0.737SS**  trans-76.4103.1160.9-72.70000107.6A609 A613A609-C611 PolarHBondContact O-N 3.32Å; A609-C611 VanDerWaalsContact O-N 3.12Å; C611-A613 PolarHBondContact O-N 3.22Å
612Q27.1Very low32.9Very low183 Ų183129.9 Ų129.986%0.85572%0.722SS**  trans-50.2104.2171.1-69.9177.8-5.900108.8P610 F614P610-Q612 PolarHBondContact O-N 2.93Å; Q612-F614 PolarHBondContact O-N 3.26Å
613A30Very low33.5Very low89 Ų89131.1 Ų131.174%0.73671%0.713SS**  trans-55.3110.9172.100000108C611 S615C611-A613 PolarHBondContact O-N 3.22Å; A613-S615 VanDerWaalsContact C-N 3.25Å; A613-S615 PolarHBondContact O-N 3.37Å
614F34Very low33.9Very low203 Ų203123.7 Ų123.789%0.8968%0.68SS**  trans-52.3102.4155.2-92.9-90.1000106.3Q612 L616Q612-F614 PolarHBondContact O-N 3.26Å; F614-L616 PolarHBondContact O-N 3.08Å
615S32.6Very low34.7Very low64 Ų64123.3 Ų123.345%0.44867%0.671SS.*  trans-58.1114.7-164.468.60000110A613 P617 A618A613-S615 VanDerWaalsContact C-N 3.25Å; A613-S615 PolarHBondContact O-N 3.37Å; S615-P617 VanDerWaalsContact O-CD 3.31Å; S615-P617 WeakPolarHBondContact O-CD 3.32Å; S615-A618 PolarHBondContact O-N 2.88Å
616L37.6Very low35.2Very low135 Ų135120.9 Ų120.971%0.70766%0.661SS**Hα-helixtrans-39.2-33.2170.5-127.788.4000114.4F614 A618 V619 R620F614-L616 PolarHBondContact O-N 3.08Å; L616-A618 VanDerWaalsContact C-N 3.3Å; L616-A618 PolarHBondContact O-N 3.02Å; L616-V619 PolarHBondContact O-N 3.47Å; L616-R620 PolarHBondContact O-N 3.29Å
617P36.6Very low35.3Very low75 Ų75121.1 Ų121.149%0.48765%0.652SS.*Hα-helixtrans-62.2-26.7176.2-25.735.8000115.5S615 R621S615-P617 VanDerWaalsContact O-CD 3.31Å; S615-P617 WeakPolarHBondContact O-CD 3.32Å; P617-R621 VanDerWaalsContact O-CB 3.31Å; P617-R621 WeakPolarHBondContact O-CB 3.42Å; P617-R621 VanDerWaalsContact O-CG 3.31Å; P617-R621 WeakPolarHBondContact O-CG 3.22Å; P617-R621 PolarHBondContact O-N 3.06Å; P617-R621 PolarHBondContact O-NE 3.2Å
618A39.9Very low35.7Very low50 Ų50120.2 Ų120.241%0.41364%0.638SS.*Hα-helixtrans-73.7-44.4177.900000111.3S615 L616 R621 A622S615-A618 PolarHBondContact O-N 2.88Å; L616-A618 VanDerWaalsContact C-N 3.3Å; L616-A618 PolarHBondContact O-N 3.02Å; A618-R621 PolarHBondContact O-N 2.82Å; A618-A622 PolarHBondContact O-N 3.43Å
619V39.9Very low36.8Very low102 Ų102118.9 Ų118.962%0.61862%0.624SS**Hα-helixtrans-65.1-43.8175.4-179.50000110.7L616 R621 A622 Y623L616-V619 PolarHBondContact O-N 3.47Å; V619-R621 VanDerWaalsContact C-N 3.32Å; V619-R621 PolarHBondContact O-N 3.41Å; V619-A622 PolarHBondContact O-N 3.14Å; V619-Y623 WeakPolarHBondContact O-CB 3.21Å; V619-Y623 PolarHBondContact O-N 3.46Å
620R37.5Very low37.2Very low201 Ų201117.4 Ų117.476%0.75861%0.612SS**Hα-helixtrans-60.6-37.9173.7-117.2179.7-176.9-176.31.8112.7L616 G624L616-R620 PolarHBondContact O-N 3.29Å; R620-G624 PolarHBondContact O-N 3.44Å
621R40.5Very low38Very low166 Ų166115.3 Ų115.363%0.62660%0.601SS**Hα-helixtrans-69.5-38.1175.4-84-174.1-72.9167.8-4.4112.6P617 A618 V619 R625P617-R621 VanDerWaalsContact O-CB 3.31Å; P617-R621 WeakPolarHBondContact O-CB 3.42Å; P617-R621 VanDerWaalsContact O-CG 3.31Å; P617-R621 WeakPolarHBondContact O-CG 3.22Å; P617-R621 PolarHBondContact O-N 3.06Å; P617-R621 PolarHBondContact O-NE 3.2Å; A618-R621 PolarHBondContact O-N 2.82Å; V619-R621 VanDerWaalsContact C-N 3.32Å; V619-R621 PolarHBondContact O-N 3.41Å; R621-R625 WeakPolarHBondContact O-CG 3.22Å; R621-R625 PolarHBondContact O-N 3.1Å
622A43Very low38.6Very low50 Ų50118.6 Ų118.641%0.41360%0.596SS.*Hα-helixtrans-67.8-46.7176.200000111.3A618 V619 G624 R625 M626A618-A622 PolarHBondContact O-N 3.43Å; V619-A622 PolarHBondContact O-N 3.14Å; A622-G624 PolarHBondContact O-N 3.46Å; A622-R625 WeakPolarHBondContact O-CB 3.32Å; A622-R625 PolarHBondContact O-N 3.17Å; A622-R625 VanDerWaalsContact O-N 3.08Å; A622-M626 PolarHBondContact O-N 3.3Å
623Y38.2Very low39.5Very low154 Ų154113.5 Ų113.560%0.60458%0.577SS**Hα-helixtrans-61.6-45.4175.9-162.1-97.8000111.4V619 R625 M626 Q627V619-Y623 WeakPolarHBondContact O-CB 3.21Å; V619-Y623 PolarHBondContact O-N 3.46Å; Y623-R625 PolarHBondContact O-N 3.46Å; Y623-M626 PolarHBondContact O-N 3.5Å; Y623-M626 VanDerWaalsContact O-N 3.16Å; Y623-Q627 WeakPolarHBondContact O-CB 3.45Å; Y623-Q627 PolarHBondContact O-N 3.42Å
624G37.8Very low40.2Very low24 Ų24114 Ų11425%0.24757%0.566CS.*Hα-helixtrans-66.3-17.8174.600000114.7R620 A622 R628R620-G624 PolarHBondContact O-N 3.44Å; A622-G624 PolarHBondContact O-N 3.46Å; G624-R628 WeakPolarHBondContact O-CG 3.19Å; G624-R628 PolarHBondContact O-NE 3.26Å
625R41.6Very low40.5Very low171 Ų171106.4 Ų106.465%0.64555%0.545SS*.Hα-helixtrans-80.9-45.9168-79.4-178.6-173-179.11.8111R621 A622 Y623 Q627 R628 V629R621-R625 WeakPolarHBondContact O-CG 3.22Å; R621-R625 PolarHBondContact O-N 3.1Å; A622-R625 WeakPolarHBondContact O-CB 3.32Å; A622-R625 PolarHBondContact O-N 3.17Å; A622-R625 VanDerWaalsContact O-N 3.08Å; Y623-R625 PolarHBondContact O-N 3.46Å; R625-Q627 PolarHBondContact O-N 3.23Å; R625-R628 PolarHBondContact O-N 3.34Å; R625-V629 WeakPolarHBondContact O-CG2 3.42Å; R625-V629 PolarHBondContact O-N 3.43Å
626M39.5Very low41.3Very low137 Ų137106.1 Ų106.168%0.67555%0.547SS*.Hα-helixtrans-59.4-45.2176.2-77.4-171.4-16500111.9A622 Y623 R628 V629 A630A622-M626 PolarHBondContact O-N 3.3Å; Y623-M626 PolarHBondContact O-N 3.5Å; Y623-M626 VanDerWaalsContact O-N 3.16Å; M626-R628 VanDerWaalsContact C-N 3.31Å; M626-R628 PolarHBondContact O-N 2.97Å; M626-V629 PolarHBondContact O-N 3.23Å; M626-V629 VanDerWaalsContact O-N 3.13Å; M626-A630 WeakPolarHBondContact O-CB 3.5Å; M626-A630 PolarHBondContact O-N 3.02Å
627Q38.2Very low41.8Very low121 Ų121104.2 Ų104.257%0.56554%0.536SS*.Hα-helixtrans-62.5-37.1179.5-127.4-179.2-6.600112.3Y623 R625 S631Y623-Q627 WeakPolarHBondContact O-CB 3.45Å; Y623-Q627 PolarHBondContact O-N 3.42Å; R625-Q627 PolarHBondContact O-N 3.23Å; Q627-S631 VanDerWaalsContact O-CB 3.22Å; Q627-S631 WeakPolarHBondContact O-CB 3.29Å; Q627-S631 PolarHBondContact O-N 3.04Å
628R42Very low42.3Very low153 Ų153105.9 Ų105.958%0.57754%0.54SS*.Hα-helixtrans-69.9-35174.7-80.1-174.7-71.2163.7-6.2112.8G624 R625 M626 R632G624-R628 WeakPolarHBondContact O-CG 3.19Å; G624-R628 PolarHBondContact O-NE 3.26Å; R625-R628 PolarHBondContact O-N 3.34Å; M626-R628 VanDerWaalsContact C-N 3.31Å; M626-R628 PolarHBondContact O-N 2.97Å; R628-R632 WeakPolarHBondContact O-CB 3.42Å; R628-R632 VanDerWaalsContact O-CG 3.29Å; R628-R632 WeakPolarHBondContact O-CG 3.37Å; R628-R632 PolarHBondContact O-N 3.46Å; R628-R632 VanDerWaalsContact O-N 3.13Å
629V48.1Very low42.6Very low91 Ų91105 Ų10555%0.55254%0.535SS*.Hα-helixtrans-69.4-48.2174.5174.70000110R625 M626 S631 R632 V633R625-V629 WeakPolarHBondContact O-CG2 3.42Å; R625-V629 PolarHBondContact O-N 3.43Å; M626-V629 PolarHBondContact O-N 3.23Å; M626-V629 VanDerWaalsContact O-N 3.13Å; V629-S631 PolarHBondContact O-N 3.31Å; V629-R632 PolarHBondContact O-N 3.38Å; V629-R632 VanDerWaalsContact O-N 3.15Å; V629-V633 HydrophobicContact CG1-CG2 4.38Å; V629-V633 WeakPolarHBondContact O-CG2 3.47Å; V629-V633 PolarHBondContact O-N 3.16Å
630A39.5Very low43.5Very low47 Ų47104.8 Ų104.839%0.38853%0.534SS..Hα-helixtrans-59.4-44.5177.300000112M626 R632 V633 I634M626-A630 WeakPolarHBondContact O-CB 3.5Å; M626-A630 PolarHBondContact O-N 3.02Å; A630-R632 VanDerWaalsContact C-N 3.33Å; A630-R632 PolarHBondContact O-N 3.43Å; A630-V633 PolarHBondContact O-N 3.46Å; A630-I634 WeakPolarHBondContact O-CB 3.28Å; A630-I634 VanDerWaalsContact O-CG1 3.28Å; A630-I634 WeakPolarHBondContact O-CG1 3.31Å; A630-I634 PolarHBondContact O-N 3.5Å
631S43.1Very low43.9Very low83 Ų83101.3 Ų101.358%0.5853%0.525SS*.Hα-helixtrans-61.9-37.6175.6173.50000112.6Q627 V629 G635Q627-S631 VanDerWaalsContact O-CB 3.22Å; Q627-S631 WeakPolarHBondContact O-CB 3.29Å; Q627-S631 PolarHBondContact O-N 3.04Å; V629-S631 PolarHBondContact O-N 3.31Å; S631-G635 PolarHBondContact O-N 3.46Å
632R43.4Very low44.3Very low191 Ų19195.5 Ų95.572%0.72151%0.512SS*.Hα-helixtrans-69.6-38.9174.8-76.9176.8177.7-179.2-2.3112.7R628 V629 A630 A636R628-R632 WeakPolarHBondContact O-CB 3.42Å; R628-R632 VanDerWaalsContact O-CG 3.29Å; R628-R632 WeakPolarHBondContact O-CG 3.37Å; R628-R632 PolarHBondContact O-N 3.46Å; R628-R632 VanDerWaalsContact O-N 3.13Å; V629-R632 PolarHBondContact O-N 3.38Å; V629-R632 VanDerWaalsContact O-N 3.15Å; A630-R632 VanDerWaalsContact C-N 3.33Å; A630-R632 PolarHBondContact O-N 3.43Å; R632-A636 VanDerWaalsContact O-CB 3.28Å; R632-A636 WeakPolarHBondContact O-CB 3.41Å; R632-A636 PolarHBondContact O-N 2.89Å
633V47.4Very low45.1Very low77 Ų7799 Ų9947%0.46752%0.524SS..Hα-helixtrans-68-47.6177.6173.70000110.6V629 A630 A636 I637V629-V633 HydrophobicContact CG1-CG2 4.38Å; V629-V633 WeakPolarHBondContact O-CG2 3.47Å; V629-V633 PolarHBondContact O-N 3.16Å; A630-V633 PolarHBondContact O-N 3.46Å; V633-A636 PolarHBondContact O-N 3.22Å; V633-I637 HydrophobicContact CG1-CD1 3.95Å; V633-I637 VanDerWaalsContact O-CG1 3.31Å; V633-I637 WeakPolarHBondContact O-CG1 3.48Å; V633-I637 PolarHBondContact O-N 3.23Å
634I43Very low45.9Very low100 Ų10098.9 Ų98.951%0.51352%0.522SS..Hα-helixtrans-62.9-44.3176.5-65.8166.9000110.3A630 A636 I637 I638A630-I634 WeakPolarHBondContact O-CB 3.28Å; A630-I634 VanDerWaalsContact O-CG1 3.28Å; A630-I634 WeakPolarHBondContact O-CG1 3.31Å; A630-I634 PolarHBondContact O-N 3.5Å; I634-A636 VanDerWaalsContact C-N 3.32Å; I634-A636 PolarHBondContact O-N 2.82Å; I634-I637 PolarHBondContact O-N 3.32Å; I634-I638 HydrophobicContact CG2-CD1 3.75Å; I634-I638 HydrophobicContact CG2-CG1 4.38Å; I634-I638 WeakPolarHBondContact O-CG1 3.39Å; I634-I638 PolarHBondContact O-N 2.81Å
635G41.8Very low46.7Very low42 Ų42103 Ų10343%0.43354%0.538SS..Hα-helixtrans-61.1-37.3175.200000113.3S631 G639S631-G635 PolarHBondContact O-N 3.46Å; G635-G639 PolarHBondContact O-N 2.63Å
636A47.8Very low47.3Very low59 Ų59100.2 Ų100.249%0.48853%0.534SS..Hα-helixtrans-68.3-42174.600000112R632 V633 I634 G639 V640R632-A636 VanDerWaalsContact O-CB 3.28Å; R632-A636 WeakPolarHBondContact O-CB 3.41Å; R632-A636 PolarHBondContact O-N 2.89Å; V633-A636 PolarHBondContact O-N 3.22Å; I634-A636 VanDerWaalsContact C-N 3.32Å; I634-A636 PolarHBondContact O-N 2.82Å; A636-G639 PolarHBondContact O-N 3.27Å; A636-V640 WeakPolarHBondContact O-CG2 3.33Å; A636-V640 VanDerWaalsContact O-CG2 3.28Å; A636-V640 PolarHBondContact O-N 3.41Å
637I48Very low47.8Very low95 Ų95101.6 Ų101.649%0.48753%0.533SS..Hα-helixtrans-63.5-46.7177.2-67.4165.6000110.7V633 I634 G639 V640 F641V633-I637 HydrophobicContact CG1-CD1 3.95Å; V633-I637 VanDerWaalsContact O-CG1 3.31Å; V633-I637 WeakPolarHBondContact O-CG1 3.48Å; V633-I637 PolarHBondContact O-N 3.23Å; I634-I637 PolarHBondContact O-N 3.32Å; I637-G639 VanDerWaalsContact C-N 3.33Å; I637-G639 PolarHBondContact O-N 2.88Å; I637-V640 PolarHBondContact O-N 3.33Å; I637-F641 HydrophobicContact CG2-CD2 4.39Å; I637-F641 PolarHBondContact O-N 3.05Å
638I48.1Very low48.7Very low110 Ų11099.6 Ų99.656%0.56452%0.524SS*.Hα-helixtrans-62.7-42.3176-66.1170.6000110.3I634 V640 F641 A642I634-I638 HydrophobicContact CG2-CD1 3.75Å; I634-I638 HydrophobicContact CG2-CG1 4.38Å; I634-I638 WeakPolarHBondContact O-CG1 3.39Å; I634-I638 PolarHBondContact O-N 2.81Å; I638-V640 PolarHBondContact O-N 2.97Å; I638-F641 PolarHBondContact O-N 3.35Å; I638-A642 WeakPolarHBondContact O-CB 3.22Å; I638-A642 PolarHBondContact O-N 3.45Å
639G46.6Very low48.8Very low31 Ų3194.1 Ų94.132%0.3252%0.515SS..Hα-helixtrans-60.4-43.2176.600000112.9G635 A636 I637 A642 L643G635-G639 PolarHBondContact O-N 2.63Å; A636-G639 PolarHBondContact O-N 3.27Å; I637-G639 VanDerWaalsContact C-N 3.33Å; I637-G639 PolarHBondContact O-N 2.88Å; G639-A642 PolarHBondContact O-N 3.34Å; G639-L643 WeakPolarHBondContact O-CB 3.42Å; G639-L643 PolarHBondContact O-N 3.12Å
640V58.4Low48.7Very low97 Ų9794.2 Ų94.259%0.58852%0.516SS*.Hα-helixtrans-66-42.6176.6170.60000111.2A636 I637 I638 L643 R644A636-V640 WeakPolarHBondContact O-CG2 3.33Å; A636-V640 VanDerWaalsContact O-CG2 3.28Å; A636-V640 PolarHBondContact O-N 3.41Å; I637-V640 PolarHBondContact O-N 3.33Å; I638-V640 PolarHBondContact O-N 2.97Å; V640-L643 PolarHBondContact O-N 2.93Å; V640-R644 WeakPolarHBondContact O-CB 3.5Å; V640-R644 PolarHBondContact O-N 3.31Å
641F45.6Very low48.9Very low128 Ų12896.2 Ų96.256%0.56152%0.523SS*.Hα-helixtrans-65.4-41.8176-103.9-86.7000112.4I637 I638 R644 L645I637-F641 HydrophobicContact CG2-CD2 4.39Å; I637-F641 PolarHBondContact O-N 3.05Å; I638-F641 PolarHBondContact O-N 3.35Å; F641-R644 PolarHBondContact O-N 3.15Å; F641-L645 WeakPolarHBondContact O-CB 3.27Å; F641-L645 WeakPolarHBondContact O-CG 3.36Å; F641-L645 PolarHBondContact O-N 3.19Å
642A50.3Low49Very low44 Ų44100.6 Ų100.636%0.36453%0.534SS..Hα-helixtrans-65-42.9175.900000111.6I638 G639 R644 L645 I646I638-A642 WeakPolarHBondContact O-CB 3.22Å; I638-A642 PolarHBondContact O-N 3.45Å; G639-A642 PolarHBondContact O-N 3.34Å; A642-R644 VanDerWaalsContact C-N 3.3Å; A642-R644 PolarHBondContact O-N 3.3Å; A642-L645 PolarHBondContact O-N 2.98Å; A642-I646 WeakPolarHBondContact O-CB 3.34Å; A642-I646 WeakPolarHBondContact O-CG1 3.24Å; A642-I646 PolarHBondContact O-N 3.29Å
643L58.4Low48.8Very low125 Ų125104.9 Ų104.965%0.65455%0.55SS**Hα-helixtrans-61.9-38.7173.7-105.6138000111.8G639 V640 I646 Y647G639-L643 WeakPolarHBondContact O-CB 3.42Å; G639-L643 PolarHBondContact O-N 3.12Å; V640-L643 PolarHBondContact O-N 2.93Å; L643-I646 PolarHBondContact O-N 3.49Å; L643-Y647 WeakPolarHBondContact O-CB 3.38Å; L643-Y647 PolarHBondContact O-N 3.45Å
644R55.7Low48.9Very low150 Ų150106.3 Ų106.357%0.56655%0.554SS**Hα-helixtrans-66.1-44.5176-172.2175.9-179.9175.56.1111.9V640 F641 A642 Y647 E648V640-R644 WeakPolarHBondContact O-CB 3.5Å; V640-R644 PolarHBondContact O-N 3.31Å; F641-R644 PolarHBondContact O-N 3.15Å; A642-R644 VanDerWaalsContact C-N 3.3Å; A642-R644 PolarHBondContact O-N 3.3Å; R644-Y647 PolarHBondContact O-N 3.26Å; R644-E648 PolarHBondContact O-N 3.11Å; R644-E648 HydrophobicContact CG-CG 4.45Å; R644-E648 WeakPolarHBondContact O-CG 3.4Å; R644-E648 WeakPolarHBondContact O-CB 3.31Å; R644-E648 IonicContact NH2-OE1 3.69Å; R644-E648 PolarHBondContact NE-OE1 3.05Å; R644-E648 IonicContact NE-OE1 2.91Å; R644-E648 IonicContact CZ-OE1 3.71Å; R644-E648 WeakPolarHBondContact CG-OE1 3.4Å
645L53.8Low49.2Very low112 Ų112106.6 Ų106.659%0.58656%0.557SS**Hα-helixtrans-65.7-37.6175.8-74168.7000112.4F641 A642 G649F641-L645 WeakPolarHBondContact O-CB 3.27Å; F641-L645 WeakPolarHBondContact O-CG 3.36Å; F641-L645 PolarHBondContact O-N 3.19Å; A642-L645 PolarHBondContact O-N 2.98Å; L645-G649 PolarHBondContact O-N 3.31Å
646I55.9Low49.6Very low112 Ų112110.2 Ų110.257%0.57456%0.564SS**Hα-helixtrans-68-42.3173.8-67.7165.2000109.9A642 L643 G649 V650A642-I646 WeakPolarHBondContact O-CB 3.34Å; A642-I646 WeakPolarHBondContact O-CG1 3.24Å; A642-I646 PolarHBondContact O-N 3.29Å; L643-I646 PolarHBondContact O-N 3.49Å; I646-G649 PolarHBondContact O-N 3.04Å; I646-V650 HydrophobicContact CG2-CG2 4.17Å; I646-V650 VanDerWaalsContact O-CB 3.32Å; I646-V650 WeakPolarHBondContact O-CB 3.49Å; I646-V650 WeakPolarHBondContact O-CG2 3.42Å; I646-V650 PolarHBondContact O-N 3.11Å
647Y50Low49.7Very low165 Ų165113.2 Ų113.265%0.64757%0.568SS**Hα-helixtrans-64.1-44.8177-174.3-96.6000111.9L643 R644 V650 T651L643-Y647 WeakPolarHBondContact O-CB 3.38Å; L643-Y647 PolarHBondContact O-N 3.45Å; R644-Y647 PolarHBondContact O-N 3.26Å; Y647-V650 PolarHBondContact O-N 2.98Å; Y647-T651 HydrophobicContact CD1-CG2 4.49Å; Y647-T651 HydrophobicContact CE1-CG2 4.14Å; Y647-T651 WeakPolarHBondContact O-CB 3.43Å; Y647-T651 WeakPolarHBondContact O-CG2 3.39Å; Y647-T651 PolarHBondContact O-N 3.16Å; Y647-T651 PolarHBondContact O-OG1 3.26Å
648E56.1Low49.9Very low80 Ų80114.3 Ų114.337%0.37457%0.573SS.*Hα-helixtrans-66.9-37.4175.6-73.3173.6-172.100111.5R644 T651 Q652R644-E648 PolarHBondContact O-N 3.11Å; R644-E648 HydrophobicContact CG-CG 4.45Å; R644-E648 WeakPolarHBondContact O-CG 3.4Å; R644-E648 WeakPolarHBondContact O-CB 3.31Å; R644-E648 IonicContact NH2-OE1 3.69Å; R644-E648 PolarHBondContact NE-OE1 3.05Å; R644-E648 IonicContact NE-OE1 2.91Å; R644-E648 IonicContact CZ-OE1 3.71Å; R644-E648 WeakPolarHBondContact CG-OE1 3.4Å; E648-T651 WeakPolarHBondContact CA-OG1 3.31Å; E648-T651 PolarHBondContact O-OG1 3.19Å; E648-T651 VanDerWaalsContact O-OG1 3.12Å; E648-Q652 WeakPolarHBondContact O-CB 3.5Å; E648-Q652 WeakPolarHBondContact O-CG 3.04Å; E648-Q652 PolarHBondContact O-N 3.3Å
649G43.9Very low50Low37 Ų37114.6 Ų114.638%0.38157%0.574SS.*Hα-helixtrans-72.9-31.2176.200000114.5L645 I646L645-G649 PolarHBondContact O-N 3.31Å; I646-G649 PolarHBondContact O-N 3.04Å
650V46Very low50.2Low94 Ų94120.6 Ų120.657%0.5759%0.592SS**Hα-helixtrans-80.3-31.1175172.30000111.3I646 Y647 Q652 R653I646-V650 HydrophobicContact CG2-CG2 4.17Å; I646-V650 VanDerWaalsContact O-CB 3.32Å; I646-V650 WeakPolarHBondContact O-CB 3.49Å; I646-V650 WeakPolarHBondContact O-CG2 3.42Å; I646-V650 PolarHBondContact O-N 3.11Å; Y647-V650 PolarHBondContact O-N 2.98Å; V650-Q652 VanDerWaalsContact C-N 3.27Å; V650-Q652 PolarHBondContact O-N 2.83Å; V650-R653 PolarHBondContact O-N 2.94Å
651T44.8Very low49.6Very low89 Ų89122.4 Ų122.455%0.54659%0.592SS.*Hα-helixtrans-74.9-17.3173.743.80000113.3Y647 E648Y647-T651 HydrophobicContact CD1-CG2 4.49Å; Y647-T651 HydrophobicContact CE1-CG2 4.14Å; Y647-T651 WeakPolarHBondContact O-CB 3.43Å; Y647-T651 WeakPolarHBondContact O-CG2 3.39Å; Y647-T651 PolarHBondContact O-N 3.16Å; Y647-T651 PolarHBondContact O-OG1 3.26Å; E648-T651 WeakPolarHBondContact CA-OG1 3.31Å; E648-T651 PolarHBondContact O-OG1 3.19Å; E648-T651 VanDerWaalsContact O-OG1 3.12Å
652Q45.1Very low49.9Very low174 Ų174121.9 Ų121.981%0.81360%0.595SS**THydrogen-bonded Turntrans-92.5-0.5173.2-74.2-172.3-4.400114.4E648 V650E648-Q652 WeakPolarHBondContact O-CB 3.5Å; E648-Q652 WeakPolarHBondContact O-CG 3.04Å; E648-Q652 PolarHBondContact O-N 3.3Å; V650-Q652 VanDerWaalsContact C-N 3.27Å; V650-Q652 PolarHBondContact O-N 2.83Å
653R39.3Very low49.9Very low281 Ų281129 Ų129100%1.0662%0.616SS**  trans-108.80168.1-79.8-171.9177.1-171.20.2110V650V650-R653 PolarHBondContact O-N 2.94Å

Retrieved 653 of 653 residues in 3236.6 ms (Link to these results)

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