A0A060VZ49_ONCMY Loading...

Centrosomal protein CCDC61

AlphaFold DB , UniProt , Accession A0A060VZ49, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 506 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M67.7Low85.6Confident38 Ų3878.2 Ų78.219%0.18744%0.438CS..  0121.10-158.4161.8-112.600109.3S5 V7 I22 L24 C68 E72M1-S5 WeakPolarHBondContact CG-OG 3.48Å; M1-V7 HydrophobicContact CE-CB 4.5Å; M1-V7 HydrophobicContact CE-CG2 4.11Å; M1-I22 HydrophobicContact CE-CB 3.97Å; M1-I22 HydrophobicContact CE-CG2 3.51Å; M1-I22 HydrophobicContact SD-CG2 3.88Å; M1-L24 HydrophobicContact CB-CD2 4.18Å; M1-L24 HydrophobicContact CG-CB 4.01Å; M1-L24 HydrophobicContact CG-CD2 3.83Å; M1-L24 HydrophobicContact SD-CB 4.09Å; M1-L24 HydrophobicContact SD-CD2 4.48Å; M1-C68 HydrophobicContact CB-CB 4.26Å; M1-C68 HydrophobicContact SD-CB 4.05Å; M1-E72 WeakPolarHBondContact CA-OE1 3.19Å; M1-E72 WeakPolarHBondContact CA-OE2 3.34Å; M1-E72 WeakPolarHBondContact CB-OE1 3.35Å; M1-E72 WeakPolarHBondContact CB-OE2 3.21Å; M1-E72 HydrophobicContact CE-CB 3.81Å; M1-E72 HydrophobicContact CE-CG 4.01Å; M1-E72 VanDerWaalsContact N-CD 3.32Å; M1-E72 PolarHBondContact N-OE1 2.85Å; M1-E72 VanDerWaalsContact N-OE1 3.17Å; M1-E72 PolarHBondContact N-OE2 3.02Å; M1-E72 HydrophobicContact SD-CB 4.44Å
2E75.1Confident86.4Confident160 Ų16082.4 Ų82.475%0.74846%0.456SS*.  trans-100159.9177.7-63.7-168.4154.200111G4 S5E2-G4 PolarHBondContact O-N 2.96Å; E2-S5 PolarHBondContact N-OG 2.97Å; E2-S5 VanDerWaalsContact N-OG 3.09Å; E2-S5 WeakPolarHBondContact O-CB 3.38Å; E2-S5 PolarHBondContact O-N 3.47Å; E2-S5 PolarHBondContact O-OG 3.22Å
3V75.8Confident86.8Confident106 Ų10676.8 Ų76.864%0.64242%0.424SS*.THydrogen-bonded Turntrans-68.3127.1178.3-177.20000109.5
4G77.1Confident87Confident60 Ų6081.9 Ų81.962%0.61943%0.434SS*.THydrogen-bonded Turntrans83.57.1-171.300000114.5E2 L24E2-G4 PolarHBondContact O-N 2.96Å; G4-L24 PolarHBondContact N-O 3.1Å
5S83.8Confident87.1Confident28 Ų2881.1 Ų81.120%0.19645%0.453CS..  trans-78.2137.8168.261.30000111.2M1 E2 L24M1-S5 WeakPolarHBondContact CG-OG 3.48Å; E2-S5 PolarHBondContact N-OG 2.97Å; E2-S5 VanDerWaalsContact N-OG 3.09Å; E2-S5 WeakPolarHBondContact O-CB 3.38Å; E2-S5 PolarHBondContact O-N 3.47Å; E2-S5 PolarHBondContact O-OG 3.22Å; S5-L24 PolarHBondContact O-N 3.4Å
6V91.4Very high87.4Confident73 Ų7379.9 Ų79.944%0.44245%0.449SS..EExtended strand (participates in β ladder)trans-125.6128.5176.4-175.90000107.5K21 I22 E23V6-K21 HydrophobicContact CG1-CD 4.38Å; V6-K21 HydrophobicContact CG1-CG 4.11Å; V6-I22 WeakPolarHBondContact CA-O 3.42Å; V6-E23 HydrophobicContact CG2-CB 4.24Å; V6-E23 HydrophobicContact CG2-CG 3.91Å; V6-E23 WeakPolarHBondContact CG2-OE1 3.39Å
7V93.2Very high87.7Confident29 Ų2977 Ų7718%0.17644%0.441CS..EExtended strand (participates in β ladder)trans-125.3128.9177.41780000107.6M1 E9 K21 I22 E72 V75M1-V7 HydrophobicContact CE-CB 4.5Å; M1-V7 HydrophobicContact CE-CG2 4.11Å; V7-E9 HydrophobicContact CG1-CG 4.45Å; V7-K21 CarbonylContact O-C 3.59Å; V7-K21 WeakPolarHBondContact O-CA 3.31Å; V7-I22 PolarHBondContact N-O 3.42Å; V7-I22 PolarHBondContact O-N 3.26Å; V7-E72 HydrophobicContact CG2-CG 4.39Å; V7-V75 HydrophobicContact CG1-CG1 3.95Å
8Q93.9Very high88.1Confident120 Ų12073.8 Ų73.856%0.56142%0.421SS*.EExtended strand (participates in β ladder)trans-137.9121.2178.6179.9177.6-25.500109.5V20 K21Q8-V20 WeakPolarHBondContact CA-O 3.48Å; Q8-K21 HydrophobicContact CB-CB 4.25Å; Q8-K21 HydrophobicContact CB-CG 4.35Å; Q8-K21 HydrophobicContact CG-CB 4.18Å
9E94.9Very high88.5Confident97 Ų9770.7 Ų70.745%0.45341%0.405SS..EExtended strand (participates in β ladder)trans-137152.1179.8-62.4-68.2171.600110.4V7 V20 V75V7-E9 HydrophobicContact CG1-CG 4.45Å; E9-V20 PolarHBondContact N-O 3.3Å; E9-V20 VanDerWaalsContact N-O 3.09Å; E9-V20 PolarHBondContact O-N 2.89Å; E9-V75 HydrophobicContact CB-CG1 3.77Å; E9-V75 HydrophobicContact CG-CG1 3.8Å
10D94.7Very high88.9Confident129 Ų12967.2 Ų67.269%0.6939%0.385SS*.EExtended strand (participates in β ladder)trans-90.7118.2176.3-70.9-34.9000110.8A19D10-A19 WeakPolarHBondContact OD1-CA 3.29Å; D10-A19 WeakPolarHBondContact OD1-CB 3.17Å
11I94.3Very high89.2Confident20 Ų2066.2 Ų66.210%0.10338%0.376CS..EExtended strand (participates in β ladder)trans-121.8134-172.9-55-176.6000110.4F13 F18 V20 V75 L84I11-F13 HydrophobicContact CB-CE2 4.17Å; I11-F13 HydrophobicContact CB-CZ 4.09Å; I11-F13 HydrophobicContact CG2-CD1 4.25Å; I11-F13 HydrophobicContact CG2-CE1 3.7Å; I11-F13 HydrophobicContact CG2-CE2 4.05Å; I11-F13 HydrophobicContact CG2-CZ 3.59Å; I11-F13 PolarHBondContact O-N 3.4Å; I11-F18 PolarHBondContact N-O 3.17Å; I11-F18 PolarHBondContact O-N 2.67Å; I11-V20 HydrophobicContact CB-CG2 4.2Å; I11-V20 HydrophobicContact CD1-CB 4.12Å; I11-V20 HydrophobicContact CD1-CG2 4.02Å; I11-V20 HydrophobicContact CG1-CG2 4.24Å; I11-V75 HydrophobicContact CD1-CB 4.27Å; I11-V75 HydrophobicContact CD1-CG1 4.23Å; I11-V75 HydrophobicContact CD1-CG2 4.07Å; I11-L84 HydrophobicContact CD1-CD1 3.91Å
12I94.5Very high90.5Very high129 Ų12964.4 Ų64.466%0.66237%0.367SS*.EExtended strand (participates in β ladder)trans-91.7102.4179.9-56.8176.2000109.9V16I12-V16 CarbonylContact C-O 3.58Å; I12-V16 WeakPolarHBondContact CA-O 3.46Å
13F92.6Very high91.4Very high9 Ų959.1 Ų59.14%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-92.4115.9170.4-61.3-61.3000109.9I11 G15 V16 F18 V20 L84 L86 L121I11-F13 HydrophobicContact CB-CE2 4.17Å; I11-F13 HydrophobicContact CB-CZ 4.09Å; I11-F13 HydrophobicContact CG2-CD1 4.25Å; I11-F13 HydrophobicContact CG2-CE1 3.7Å; I11-F13 HydrophobicContact CG2-CE2 4.05Å; I11-F13 HydrophobicContact CG2-CZ 3.59Å; I11-F13 PolarHBondContact O-N 3.4Å; F13-G15 PolarHBondContact O-N 3.13Å; F13-G15 VanDerWaalsContact O-N 3.11Å; F13-V16 PolarHBondContact N-O 3.1Å; F13-V16 PolarHBondContact O-N 3.33Å; F13-F18 HydrophobicContact CB-CD2 4Å; F13-F18 HydrophobicContact CB-CE2 3.98Å; F13-F18 HydrophobicContact CD2-CB 4.14Å; F13-F18 AromaticContact CD2-CD2 3.62Å; F13-F18 HydrophobicContact CD2-CD2 3.62Å; F13-F18 HydrophobicContact CD2-CE2 4.29Å; F13-F18 HydrophobicContact CD2-CG 4.1Å; F13-F18 HydrophobicContact CE2-CB 4.41Å; F13-F18 HydrophobicContact CG-CD2 4.29Å; F13-V20 HydrophobicContact CE2-CG2 3.7Å; F13-V20 HydrophobicContact CZ-CG2 4.12Å; F13-L84 HydrophobicContact CE1-CB 3.65Å; F13-L84 HydrophobicContact CZ-CB 3.97Å; F13-L86 HydrophobicContact CB-CB 3.84Å; F13-L86 HydrophobicContact CD1-CB 3.9Å; F13-L86 HydrophobicContact CD2-CB 3.53Å; F13-L86 HydrophobicContact CD2-CD2 3.66Å; F13-L86 HydrophobicContact CD2-CG 4.21Å; F13-L86 HydrophobicContact CE1-CB 4.36Å; F13-L86 HydrophobicContact CE2-CB 4.02Å; F13-L86 HydrophobicContact CE2-CD2 4.18Å; F13-L86 HydrophobicContact CG-CB 3.46Å; F13-L86 VanDerWaalsContact CG-CB 3.46Å; F13-L86 HydrophobicContact CG-CD2 4.33Å; F13-L86 HydrophobicContact CZ-CB 4.42Å; F13-L121 HydrophobicContact CZ-CD1 3.94Å
14R88.7Confident92.3Very high148 Ų14854.6 Ų54.656%0.55832%0.315SS*.THydrogen-bonded Turntrans57.929.2170.2-59.2164.9172.4-118.5-17.7114.2D85 L87 D91R14-D85 IonicContact CZ-OD1 3.12Å; R14-D85 IonicContact CZ-OD2 3.79Å; R14-D85 IonicContact NE-OD1 2.69Å; R14-D85 PolarHBondContact NE-OD1 3.25Å; R14-D85 IonicContact NE-OD2 2.77Å; R14-D85 IonicContact NH2-OD1 2.68Å; R14-D85 IonicContact NH2-OD2 2.7Å; R14-D85 PolarHBondContact NH2-OD2 2.78Å; R14-L87 VanDerWaalsContact CZ-CD2 3.42Å; R14-D91 IonicContact NH1-OD1 3.14Å; R14-D91 PolarHBondContact NH1-OD1 3.11Å
15G88.8Confident92.9Very high70 Ų7056.8 Ų56.872%0.72231%0.309SS*.THydrogen-bonded Turntrans92.1-0.2-178.700000115.2F13F13-G15 PolarHBondContact O-N 3.13Å; F13-G15 VanDerWaalsContact O-N 3.11Å
16V91.5Very high93Very high63 Ų6364.6 Ų64.638%0.38234%0.342SS..EExtended strand (participates in β ladder)trans-112134.8174.9-179.10000109.3I12 F13 F18I12-V16 CarbonylContact C-O 3.58Å; I12-V16 WeakPolarHBondContact CA-O 3.46Å; F13-V16 PolarHBondContact N-O 3.1Å; F13-V16 PolarHBondContact O-N 3.33Å; V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CB-CE2 3.7Å; V16-F18 HydrophobicContact CB-CZ 4.21Å; V16-F18 HydrophobicContact CG1-CD2 4.26Å; V16-F18 HydrophobicContact CG1-CE2 3.6Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å; V16-F18 WeakPolarHBondContact O-CD2 3.41Å
17G93.1Very high92.6Very high30 Ų3062.2 Ų62.231%0.30933%0.333SS..EExtended strand (participates in β ladder)trans-84.7132.5178.600000112.7A36G17-A36 WeakPolarHBondContact O-CB 3.3Å; G17-A36 PolarHBondContact O-N 3.17Å
18F95.3Very high92.6Very high20 Ų2063.1 Ų63.19%0.08834%0.337CS..EExtended strand (participates in β ladder)trans-132.1134.5175.9-61.5-97.6000110.3I11 F13 V16 V20 I33 S34 D35 W42 L86I11-F18 PolarHBondContact N-O 3.17Å; I11-F18 PolarHBondContact O-N 2.67Å; F13-F18 HydrophobicContact CB-CD2 4Å; F13-F18 HydrophobicContact CB-CE2 3.98Å; F13-F18 HydrophobicContact CD2-CB 4.14Å; F13-F18 AromaticContact CD2-CD2 3.62Å; F13-F18 HydrophobicContact CD2-CD2 3.62Å; F13-F18 HydrophobicContact CD2-CE2 4.29Å; F13-F18 HydrophobicContact CD2-CG 4.1Å; F13-F18 HydrophobicContact CE2-CB 4.41Å; F13-F18 HydrophobicContact CG-CD2 4.29Å; V16-F18 HydrophobicContact CB-CD2 4.47Å; V16-F18 HydrophobicContact CB-CE2 3.7Å; V16-F18 HydrophobicContact CB-CZ 4.21Å; V16-F18 HydrophobicContact CG1-CD2 4.26Å; V16-F18 HydrophobicContact CG1-CE2 3.6Å; V16-F18 HydrophobicContact CG1-CZ 3.77Å; V16-F18 WeakPolarHBondContact O-CD2 3.41Å; F18-V20 PolarHBondContact O-N 3.12Å; F18-I33 HydrophobicContact CB-CG2 3.82Å; F18-I33 HydrophobicContact CD1-CG2 3.85Å; F18-I33 HydrophobicContact CG-CG2 4.14Å; F18-S34 CarbonylContact C-O 3.6Å; F18-S34 VanDerWaalsContact CA-O 3.28Å; F18-S34 WeakPolarHBondContact CA-O 3.3Å; F18-D35 HydrophobicContact CD1-CB 3.91Å; F18-D35 HydrophobicContact CE1-CB 3.8Å; F18-W42 HydrophobicContact CD1-CZ3 4.31Å; F18-W42 HydrophobicContact CE1-CH2 4.42Å; F18-W42 AromaticContact CE1-CZ3 3.98Å; F18-W42 HydrophobicContact CE1-CZ3 3.98Å; F18-L86 HydrophobicContact CD1-CD2 4.03Å; F18-L86 HydrophobicContact CD2-CD2 4.15Å; F18-L86 HydrophobicContact CE1-CD2 3.98Å; F18-L86 HydrophobicContact CE2-CD2 4.07Å; F18-L86 HydrophobicContact CG-CD2 4.12Å; F18-L86 HydrophobicContact CZ-CD2 4Å
19A95.2Very high92.7Very high15 Ų1557.4 Ų57.412%0.12431%0.31CS..EExtended strand (participates in β ladder)trans-75.9121.216700000108.7D10 I33 S34D10-A19 WeakPolarHBondContact OD1-CA 3.29Å; D10-A19 WeakPolarHBondContact OD1-CB 3.17Å; A19-I33 WeakPolarHBondContact O-CA 3.29Å; A19-S34 PolarHBondContact N-O 3.19Å; A19-S34 PolarHBondContact O-N 2.96Å
20V96.1Very high92.7Very high0 Ų053 Ų530%029%0.289CS..EExtended strand (participates in β ladder)trans-109.2113.8177.8-177.50000108.8Q8 E9 I11 F13 F18 I33 V75Q8-V20 WeakPolarHBondContact CA-O 3.48Å; E9-V20 PolarHBondContact N-O 3.3Å; E9-V20 VanDerWaalsContact N-O 3.09Å; E9-V20 PolarHBondContact O-N 2.89Å; I11-V20 HydrophobicContact CB-CG2 4.2Å; I11-V20 HydrophobicContact CD1-CB 4.12Å; I11-V20 HydrophobicContact CD1-CG2 4.02Å; I11-V20 HydrophobicContact CG1-CG2 4.24Å; F13-V20 HydrophobicContact CE2-CG2 3.7Å; F13-V20 HydrophobicContact CZ-CG2 4.12Å; F18-V20 PolarHBondContact O-N 3.12Å; V20-I33 HydrophobicContact CG1-CG1 4.3Å; V20-I33 HydrophobicContact CG2-CD1 4.4Å; V20-I33 HydrophobicContact CG2-CG1 4.24Å; V20-V75 HydrophobicContact CB-CG2 4.42Å; V20-V75 HydrophobicContact CG1-CG2 3.73Å
21K95.1Very high92.8Very high46 Ų4646.9 Ų46.920%0.226%0.256CS..EExtended strand (participates in β ladder)trans-106.4132175.4-179.8-169.9169.3-157.40110V6 V7 Q8 E23 E32V6-K21 HydrophobicContact CG1-CD 4.38Å; V6-K21 HydrophobicContact CG1-CG 4.11Å; V7-K21 CarbonylContact O-C 3.59Å; V7-K21 WeakPolarHBondContact O-CA 3.31Å; Q8-K21 HydrophobicContact CB-CB 4.25Å; Q8-K21 HydrophobicContact CB-CG 4.35Å; Q8-K21 HydrophobicContact CG-CB 4.18Å; K21-E23 WeakPolarHBondContact CE-OE2 3.46Å; K21-E23 IonicContact NZ-OE2 3.72Å; K21-E23 PolarHBondContact NZ-OE2 2.82Å; K21-E32 HydrophobicContact CB-CB 4.33Å; K21-E32 PolarHBondContact N-O 3.2Å; K21-E32 PolarHBondContact O-N 3.2Å
22I95.5Very high92.8Very high0 Ų047.6 Ų47.60%026%0.26CS..EExtended strand (participates in β ladder)trans-120.3138.3169.4-55.4166.5000108.6M1 V6 V7 L29 I30 L71 V75M1-I22 HydrophobicContact CE-CB 3.97Å; M1-I22 HydrophobicContact CE-CG2 3.51Å; M1-I22 HydrophobicContact SD-CG2 3.88Å; V6-I22 WeakPolarHBondContact CA-O 3.42Å; V7-I22 PolarHBondContact N-O 3.42Å; V7-I22 PolarHBondContact O-N 3.26Å; I22-L29 HydrophobicContact CG2-CD1 3.52Å; I22-I30 WeakPolarHBondContact CA-O 3.41Å; I22-L71 HydrophobicContact CD1-CB 4.24Å; I22-L71 HydrophobicContact CD1-CD2 3.68Å; I22-L71 HydrophobicContact CD1-CG 3.59Å; I22-L71 HydrophobicContact CG1-CD2 4.15Å; I22-L71 HydrophobicContact CG2-CD2 4.41Å; I22-V75 HydrophobicContact CD1-CB 4Å; I22-V75 HydrophobicContact CD1-CG2 3.37Å; I22-V75 HydrophobicContact CG1-CG2 4.18Å
23E94.8Very high92.9Very high49 Ų4941.5 Ų41.523%0.22923%0.228CC..EExtended strand (participates in β ladder)trans-141.8133.3-178.6173.4159.4-139.400109.8V6 K21 I30V6-E23 HydrophobicContact CG2-CB 4.24Å; V6-E23 HydrophobicContact CG2-CG 3.91Å; V6-E23 WeakPolarHBondContact CG2-OE1 3.39Å; K21-E23 WeakPolarHBondContact CE-OE2 3.46Å; K21-E23 IonicContact NZ-OE2 3.72Å; K21-E23 PolarHBondContact NZ-OE2 2.82Å; E23-I30 HydrophobicContact CB-CB 4.23Å; E23-I30 PolarHBondContact N-O 3.41Å; E23-I30 WeakPolarHBondContact O-CB 3.34Å; E23-I30 PolarHBondContact O-N 2.9Å
24L93.5Very high93Very high11 Ų1142.4 Ų42.46%0.05824%0.235CC..EExtended strand (participates in β ladder)trans-112.978.6-177.2-171.467.7000110.8M1 G4 S5 F64M1-L24 HydrophobicContact CB-CD2 4.18Å; M1-L24 HydrophobicContact CG-CB 4.01Å; M1-L24 HydrophobicContact CG-CD2 3.83Å; M1-L24 HydrophobicContact SD-CB 4.09Å; M1-L24 HydrophobicContact SD-CD2 4.48Å; G4-L24 PolarHBondContact N-O 3.1Å; S5-L24 PolarHBondContact O-N 3.4Å; L24-F64 HydrophobicContact CD1-CE1 3.92Å; L24-F64 HydrophobicContact CD1-CZ 3.71Å
25E90.1Very high93.2Very high107 Ų10736.2 Ų36.250%0.521%0.214SC..EExtended strand (participates in β ladder)trans-91.7127-176.4-175.7174.1-148.200111.3G27 L28 I30E25-G27 PolarHBondContact O-N 3.29Å; E25-L28 PolarHBondContact N-O 2.87Å; E25-L28 WeakPolarHBondContact O-CA 3.42Å; E25-L28 VanDerWaalsContact O-CB 3.32Å; E25-L28 WeakPolarHBondContact O-CB 3.15Å; E25-L28 PolarHBondContact O-N 3.38Å; E25-I30 HydrophobicContact CB-CD1 4.01Å
26E85.6Confident93.2Very high191 Ų19136.4 Ų36.489%0.89321%0.208SC*.THydrogen-bonded Turntrans50.79.2-180-60.2-159.6152.900117.3
27G83.8Confident93Very high24 Ų2441.3 Ų41.325%0.24723%0.229CC..THydrogen-bonded Turntrans96.88.1-172.600000114.6E25 P48 F64E25-G27 PolarHBondContact O-N 3.29Å; G27-P48 WeakPolarHBondContact O-CD 3.45Å; G27-P48 VanDerWaalsContact O-CG 3.24Å; G27-P48 WeakPolarHBondContact O-CG 3.36Å; G27-F64 WeakPolarHBondContact O-CE1 3.22Å; G27-F64 WeakPolarHBondContact O-CZ 3.43Å
28L92.8Very high92.8Very high48 Ų4842.4 Ų42.425%0.25123%0.23SC..EExtended strand (participates in β ladder)trans-91.2134166.2-17372.2000109.2E25 I30 E45E25-L28 PolarHBondContact N-O 2.87Å; E25-L28 WeakPolarHBondContact O-CA 3.42Å; E25-L28 VanDerWaalsContact O-CB 3.32Å; E25-L28 WeakPolarHBondContact O-CB 3.15Å; E25-L28 PolarHBondContact O-N 3.38Å; L28-I30 HydrophobicContact CD2-CG1 4.26Å; L28-I30 HydrophobicContact CG-CG1 4.44Å; L28-E45 HydrophobicContact CD2-CB 4.17Å; L28-E45 HydrophobicContact CD2-CG 4.41Å
29L95.1Very high92.4Very high0 Ų043.7 Ų43.70%024%0.244CC..EExtended strand (participates in β ladder)trans-89.9114.3174.1172.565000109.5I22 V31 F46 I51 F64 F67 L71I22-L29 HydrophobicContact CG2-CD1 3.52Å; L29-V31 HydrophobicContact CD1-CG2 4.23Å; L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.07Å; L29-F46 HydrophobicContact CB-CB 4.32Å; L29-F46 HydrophobicContact CD2-CD2 4.48Å; L29-F46 HydrophobicContact CG-CD2 4.42Å; L29-F46 PolarHBondContact N-O 3.2Å; L29-F46 PolarHBondContact O-N 3.04Å; L29-I51 HydrophobicContact CD2-CD1 4.2Å; L29-I51 HydrophobicContact CD2-CG1 4.39Å; L29-F64 HydrophobicContact CB-CE2 3.6Å; L29-F64 HydrophobicContact CB-CZ 3.82Å; L29-F67 HydrophobicContact CD2-CD1 4.04Å; L29-F67 HydrophobicContact CD2-CE1 3.97Å; L29-L71 HydrophobicContact CD1-CD2 4.32Å; L29-L71 HydrophobicContact CD2-CD2 4.14Å
30I95.8Very high92.3Very high4 Ų444.6 Ų44.62%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-102.5129175.9-51.7179.3000108.1I22 E23 E25 L28 R43 E45I22-I30 WeakPolarHBondContact CA-O 3.41Å; E23-I30 HydrophobicContact CB-CB 4.23Å; E23-I30 PolarHBondContact N-O 3.41Å; E23-I30 WeakPolarHBondContact O-CB 3.34Å; E23-I30 PolarHBondContact O-N 2.9Å; E25-I30 HydrophobicContact CB-CD1 4.01Å; L28-I30 HydrophobicContact CD2-CG1 4.26Å; L28-I30 HydrophobicContact CG-CG1 4.44Å; I30-R43 HydrophobicContact CG2-CG 4.39Å; I30-E45 HydrophobicContact CG1-CG 4.38Å; I30-E45 HydrophobicContact CG2-CG 4.48Å
31V96.3Very high92.2Very high0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-127.7125176.9-177.90000108.8L29 R43 G44 F46 L71 L121 L136 L138L29-V31 HydrophobicContact CD1-CG2 4.23Å; L29-V31 HydrophobicContact CD2-CG2 4.47Å; L29-V31 HydrophobicContact CG-CG2 4.07Å; V31-R43 CarbonylContact O-C 3.59Å; V31-R43 VanDerWaalsContact O-CA 3.31Å; V31-R43 WeakPolarHBondContact O-CA 3.27Å; V31-G44 PolarHBondContact N-O 2.77Å; V31-G44 PolarHBondContact O-N 2.9Å; V31-F46 HydrophobicContact CB-CE2 4.19Å; V31-F46 HydrophobicContact CG2-CD2 4.25Å; V31-F46 HydrophobicContact CG2-CE2 4.05Å; V31-L71 HydrophobicContact CG2-CD2 3.89Å; V31-L121 HydrophobicContact CG1-CD2 3.8Å; V31-L136 HydrophobicContact CG2-CD1 4.46Å; V31-L138 HydrophobicContact CB-CD2 4.1Å; V31-L138 HydrophobicContact CG1-CD1 4.35Å; V31-L138 HydrophobicContact CG1-CD2 4.17Å
32E95.6Very high92.2Very high36 Ų3644.2 Ų44.217%0.16825%0.246CC..EExtended strand (participates in β ladder)trans-127.1135.1179.4-178.5176.9166.100109.7K21 Q41 W42 R43K21-E32 HydrophobicContact CB-CB 4.33Å; K21-E32 PolarHBondContact N-O 3.2Å; K21-E32 PolarHBondContact O-N 3.2Å; E32-Q41 PolarHBondContact OE1-NE2 2.83Å; E32-W42 CarbonylContact C-O 3.54Å; E32-W42 WeakPolarHBondContact CA-O 3.5Å; E32-R43 HydrophobicContact CB-CB 4.3Å; E32-R43 HydrophobicContact CB-CG 4.15Å; E32-R43 HydrophobicContact CG-CB 4.23Å; E32-R43 HydrophobicContact CG-CG 4.43Å
33I95.8Very high92.2Very high0 Ų047.1 Ų47.10%026%0.257CS..EExtended strand (participates in β ladder)trans-127127.1176.7-59.6-173.3000108F18 A19 V20 Q41 W42 L86 L121 L138F18-I33 HydrophobicContact CB-CG2 3.82Å; F18-I33 HydrophobicContact CD1-CG2 3.85Å; F18-I33 HydrophobicContact CG-CG2 4.14Å; A19-I33 WeakPolarHBondContact O-CA 3.29Å; V20-I33 HydrophobicContact CG1-CG1 4.3Å; V20-I33 HydrophobicContact CG2-CD1 4.4Å; V20-I33 HydrophobicContact CG2-CG1 4.24Å; I33-Q41 CarbonylContact O-C 3.56Å; I33-Q41 WeakPolarHBondContact O-CA 3.42Å; I33-W42 HydrophobicContact CG2-CE3 4.44Å; I33-W42 PolarHBondContact N-O 3.13Å; I33-W42 PolarHBondContact O-N 3.46Å; I33-L86 HydrophobicContact CD1-CD1 3.61Å; I33-L86 HydrophobicContact CD1-CD2 4.32Å; I33-L86 HydrophobicContact CG2-CD2 4.06Å; I33-L121 HydrophobicContact CD1-CB 4.1Å; I33-L121 HydrophobicContact CD1-CD1 4Å; I33-L121 HydrophobicContact CD1-CD2 4.28Å; I33-L121 HydrophobicContact CD1-CG 4.35Å; I33-L138 HydrophobicContact CB-CD1 4.42Å; I33-L138 HydrophobicContact CD1-CD1 3.46Å; I33-L138 VanDerWaalsContact CD1-CD1 3.46Å; I33-L138 HydrophobicContact CG1-CD1 3.75Å
34S94.5Very high92.2Very high28 Ų2845 Ų4520%0.19625%0.248CC..EExtended strand (participates in β ladder)trans-117129.1175.1-57.70000110.3F18 A19 A36 D40 Q41F18-S34 CarbonylContact C-O 3.6Å; F18-S34 VanDerWaalsContact CA-O 3.28Å; F18-S34 WeakPolarHBondContact CA-O 3.3Å; A19-S34 PolarHBondContact N-O 3.19Å; A19-S34 PolarHBondContact O-N 2.96Å; S34-A36 PolarHBondContact O-N 3.48Å; S34-D40 WeakPolarHBondContact CA-O 3.33Å; S34-Q41 PolarHBondContact OG-NE2 2.88Å
35D93.8Very high92.4Very high19 Ų1949.5 Ų49.510%0.10227%0.269CS..EExtended strand (participates in β ladder)trans-72.4120171.1178.5-29.3000109.9F18 M37 T38 A39 D40 W42F18-D35 HydrophobicContact CD1-CB 3.91Å; F18-D35 HydrophobicContact CE1-CB 3.8Å; D35-M37 PolarHBondContact O-N 3.2Å; D35-M37 WeakPolarHBondContact OD1-CA 3.42Å; D35-M37 WeakPolarHBondContact OD1-CB 3.5Å; D35-M37 PolarHBondContact OD1-N 3.4Å; D35-T38 VanDerWaalsContact CB-OG1 3.25Å; D35-T38 WeakPolarHBondContact CB-OG1 3.43Å; D35-T38 PolarHBondContact OD1-N 3.14Å; D35-T38 PolarHBondContact OD1-OG1 2.92Å; D35-T38 VanDerWaalsContact OD2-CG2 3.28Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.37Å; D35-T38 PolarHBondContact OD2-OG1 3.42Å; D35-A39 VanDerWaalsContact O-CA 3.29Å; D35-A39 WeakPolarHBondContact O-CA 3.43Å; D35-A39 PolarHBondContact O-N 3.3Å; D35-D40 HydrophobicContact CB-CB 4.35Å; D35-D40 PolarHBondContact N-O 3.11Å; D35-W42 HydrophobicContact CB-CH2 4.29Å; D35-W42 HydrophobicContact CB-CZ3 4.01Å
36A88.1Confident92.6Very high74 Ų7444.8 Ų44.861%0.61225%0.247SC*.THydrogen-bonded Turntrans-68.5-18.9-175.600000113.9G17 S34G17-A36 WeakPolarHBondContact O-CB 3.3Å; G17-A36 PolarHBondContact O-N 3.17Å; S34-A36 PolarHBondContact O-N 3.48Å
37M87.7Confident93.1Very high165 Ų16540.5 Ų40.581%0.81323%0.23SC*.THydrogen-bonded Turntrans-100.4-39.2-178-65.5-61.2-59.900112.6D35D35-M37 PolarHBondContact O-N 3.2Å; D35-M37 WeakPolarHBondContact OD1-CA 3.42Å; D35-M37 WeakPolarHBondContact OD1-CB 3.5Å; D35-M37 PolarHBondContact OD1-N 3.4Å
38T87.9Confident93.7Very high53 Ų5341.8 Ų41.833%0.32523%0.234SC..THydrogen-bonded Turntrans-98-19.1-176.769.60000113.8D35 D40 K143D35-T38 VanDerWaalsContact CB-OG1 3.25Å; D35-T38 WeakPolarHBondContact CB-OG1 3.43Å; D35-T38 PolarHBondContact OD1-N 3.14Å; D35-T38 PolarHBondContact OD1-OG1 2.92Å; D35-T38 VanDerWaalsContact OD2-CG2 3.28Å; D35-T38 WeakPolarHBondContact OD2-CG2 3.37Å; D35-T38 PolarHBondContact OD2-OG1 3.42Å; T38-D40 PolarHBondContact O-N 3.38Å; T38-D40 WeakPolarHBondContact OG1-CB 3.48Å; T38-D40 PolarHBondContact OG1-N 2.87Å; T38-D40 VanDerWaalsContact OG1-N 3.17Å; T38-D40 PolarHBondContact OG1-OD2 3.46Å; T38-K143 WeakPolarHBondContact O-CE 3.49Å; T38-K143 PolarHBondContact O-NZ 3.44Å
39A88.4Confident93.9Very high47 Ų4742.9 Ų42.939%0.38825%0.25SC..  trans59.819.8-166.100000114.6D35 K143 P144D35-A39 VanDerWaalsContact O-CA 3.29Å; D35-A39 WeakPolarHBondContact O-CA 3.43Å; D35-A39 PolarHBondContact O-N 3.3Å; A39-K143 WeakPolarHBondContact O-CA 3.32Å; A39-P144 WeakPolarHBondContact O-CD 3.43Å
40D92.5Very high93.9Very high34 Ų3447.2 Ų47.218%0.18227%0.267CS..  trans-69.2134.8168.1-76.2-21.6000110.4S34 D35 T38 W42 Y140 K143S34-D40 WeakPolarHBondContact CA-O 3.33Å; D35-D40 HydrophobicContact CB-CB 4.35Å; D35-D40 PolarHBondContact N-O 3.11Å; T38-D40 PolarHBondContact O-N 3.38Å; T38-D40 WeakPolarHBondContact OG1-CB 3.48Å; T38-D40 PolarHBondContact OG1-N 2.87Å; T38-D40 VanDerWaalsContact OG1-N 3.17Å; T38-D40 PolarHBondContact OG1-OD2 3.46Å; D40-W42 HydrophobicContact CB-CH2 3.43Å; D40-W42 VanDerWaalsContact CB-CH2 3.43Å; D40-W42 HydrophobicContact CB-CZ2 3.87Å; D40-W42 HydrophobicContact CB-CZ3 3.96Å; D40-W42 VanDerWaalsContact O-CZ3 3.31Å; D40-W42 WeakPolarHBondContact O-CZ3 3.49Å; D40-Y140 HydrophobicContact CB-CE2 3.85Å; D40-Y140 PolarHBondContact OD1-OH 3.01Å; D40-K143 WeakPolarHBondContact OD1-CE 3.21Å; D40-K143 WeakPolarHBondContact OD1-CG 3.33Å; D40-K143 IonicContact OD1-NZ 2.82Å
41Q93.9Very high94Very high35 Ų3547 Ų4716%0.16427%0.266CS..EExtended strand (participates in β ladder)trans-119.4141.1-178.7-60.1-167.7-64.800113.2E32 I33 S34 Y140 H141 G142E32-Q41 PolarHBondContact OE1-NE2 2.83Å; I33-Q41 CarbonylContact O-C 3.56Å; I33-Q41 WeakPolarHBondContact O-CA 3.42Å; S34-Q41 PolarHBondContact OG-NE2 2.88Å; Q41-Y140 WeakPolarHBondContact O-CD2 3.31Å; Q41-H141 PolarHBondContact O-N 3.35Å; Q41-G142 PolarHBondContact N-O 2.85Å
42W95.7Very high94Very high4 Ų449.5 Ų49.52%0.01528%0.278CS..EExtended strand (participates in β ladder)trans-128.2122.7171.7-57.3-93.9000109.8F18 E32 I33 D35 D40 A117 R119 L138 P139 Y140F18-W42 HydrophobicContact CD1-CZ3 4.31Å; F18-W42 HydrophobicContact CE1-CH2 4.42Å; F18-W42 AromaticContact CE1-CZ3 3.98Å; F18-W42 HydrophobicContact CE1-CZ3 3.98Å; E32-W42 CarbonylContact C-O 3.54Å; E32-W42 WeakPolarHBondContact CA-O 3.5Å; I33-W42 HydrophobicContact CG2-CE3 4.44Å; I33-W42 PolarHBondContact N-O 3.13Å; I33-W42 PolarHBondContact O-N 3.46Å; D35-W42 HydrophobicContact CB-CH2 4.29Å; D35-W42 HydrophobicContact CB-CZ3 4.01Å; D40-W42 HydrophobicContact CB-CH2 3.43Å; D40-W42 VanDerWaalsContact CB-CH2 3.43Å; D40-W42 HydrophobicContact CB-CZ2 3.87Å; D40-W42 HydrophobicContact CB-CZ3 3.96Å; D40-W42 VanDerWaalsContact O-CZ3 3.31Å; D40-W42 WeakPolarHBondContact O-CZ3 3.49Å; W42-A117 PolarHBondContact NE1-O 2.85Å; W42-R119 HydrophobicContact CD2-CB 4.37Å; W42-R119 HydrophobicContact CD2-CG 3.55Å; W42-R119 VanDerWaalsContact CE2-CG 3.47Å; W42-R119 HydrophobicContact CE3-CG 4.18Å; W42-R119 HydrophobicContact CG-CB 4.08Å; W42-R119 HydrophobicContact CG-CG 3.72Å; W42-R119 HydrophobicContact CZ2-CG 4.06Å; W42-L138 HydrophobicContact CB-CB 3.74Å; W42-L138 HydrophobicContact CB-CD1 4.49Å; W42-P139 WeakPolarHBondContact CA-O 3.32Å; W42-Y140 VanDerWaalsContact CD1-CA 3.41Å; W42-Y140 AromaticContact CD1-CD2 4Å; W42-Y140 HydrophobicContact CD2-CD2 4.45Å; W42-Y140 AromaticContact CE2-CD2 3.84Å; W42-Y140 HydrophobicContact CZ2-CD2 4.27Å; W42-Y140 AromaticContact NE1-CD2 3.51Å; W42-Y140 AromaticContact NE1-CG 3.93Å
43R95.3Very high94.1Very high60 Ų6051 Ų5123%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-130.4134.7-177.2-178172.8172.3-78.2-7.4110.5I30 V31 E32 E45 P139 H141I30-R43 HydrophobicContact CG2-CG 4.39Å; V31-R43 CarbonylContact O-C 3.59Å; V31-R43 VanDerWaalsContact O-CA 3.31Å; V31-R43 WeakPolarHBondContact O-CA 3.27Å; E32-R43 HydrophobicContact CB-CB 4.3Å; E32-R43 HydrophobicContact CB-CG 4.15Å; E32-R43 HydrophobicContact CG-CB 4.23Å; E32-R43 HydrophobicContact CG-CG 4.43Å; R43-E45 IonicContact CZ-OE1 2.67Å; R43-E45 IonicContact NH1-OE1 3.58Å; R43-E45 PolarHBondContact NH1-OE1 3.28Å; R43-E45 IonicContact NH2-OE1 2.92Å; R43-E45 PolarHBondContact NH2-OE1 3.21Å; R43-P139 PolarHBondContact N-O 2.7Å; R43-P139 VanDerWaalsContact N-O 3.08Å; R43-P139 WeakPolarHBondContact O-CD 3.39Å; R43-H141 PolarHBondContact O-CE1 2.87Å; R43-H141 PolarHBondContact O-ND1 2.82Å
44G95.1Very high94.1Very high4 Ų451.9 Ų51.94%0.04129%0.291CS..EExtended strand (participates in β ladder)trans-133.5145.1179.300000111.1V31V31-G44 PolarHBondContact N-O 2.77Å; V31-G44 PolarHBondContact O-N 2.9Å
45E96Very high94.2Very high107 Ų10750.5 Ų50.550%0.528%0.282SS..EExtended strand (participates in β ladder)trans-121.7130.5-179-67.2172.4174.300107.6L28 I30 R43L28-E45 HydrophobicContact CD2-CB 4.17Å; L28-E45 HydrophobicContact CD2-CG 4.41Å; I30-E45 HydrophobicContact CG1-CG 4.38Å; I30-E45 HydrophobicContact CG2-CG 4.48Å; R43-E45 IonicContact CZ-OE1 2.67Å; R43-E45 IonicContact NH1-OE1 3.58Å; R43-E45 PolarHBondContact NH1-OE1 3.28Å; R43-E45 IonicContact NH2-OE1 2.92Å; R43-E45 PolarHBondContact NH2-OE1 3.21Å
46F96Very high94.3Very high8 Ų855.5 Ų55.54%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-134115.2-168.7-54.8-68.7000112.7L29 V31 Y50 I51 L136 P137 L138L29-F46 HydrophobicContact CB-CB 4.32Å; L29-F46 HydrophobicContact CD2-CD2 4.48Å; L29-F46 HydrophobicContact CG-CD2 4.42Å; L29-F46 PolarHBondContact N-O 3.2Å; L29-F46 PolarHBondContact O-N 3.04Å; V31-F46 HydrophobicContact CB-CE2 4.19Å; V31-F46 HydrophobicContact CG2-CD2 4.25Å; V31-F46 HydrophobicContact CG2-CE2 4.05Å; F46-Y50 HydrophobicContact CB-CD1 4.25Å; F46-Y50 AromaticContact CD1-CD1 3.66Å; F46-Y50 HydrophobicContact CD1-CD1 3.66Å; F46-Y50 AromaticContact CD1-CE1 3.53Å; F46-Y50 HydrophobicContact CD1-CE1 3.53Å; F46-Y50 AromaticContact CE1-CE1 3.93Å; F46-Y50 HydrophobicContact CE1-CE1 3.93Å; F46-Y50 HydrophobicContact CG-CD1 4.36Å; F46-I51 HydrophobicContact CB-CD1 3.74Å; F46-I51 HydrophobicContact CB-CG1 3.89Å; F46-I51 HydrophobicContact CG-CD1 4.09Å; F46-L136 HydrophobicContact CD2-CD2 4.23Å; F46-L136 HydrophobicContact CE1-CD2 4.37Å; F46-L136 HydrophobicContact CE2-CB 4.08Å; F46-L136 HydrophobicContact CE2-CD1 4.46Å; F46-L136 HydrophobicContact CE2-CD2 4.06Å; F46-L136 HydrophobicContact CE2-CG 4.44Å; F46-L136 HydrophobicContact CG-CD2 4.45Å; F46-L136 HydrophobicContact CZ-CB 3.84Å; F46-L136 HydrophobicContact CZ-CD2 4.13Å; F46-P137 HydrophobicContact CE1-CG 4.31Å; F46-L138 HydrophobicContact CE2-CD2 4.03Å; F46-L138 HydrophobicContact CZ-CD2 3.9Å
47D95.8Very high94.7Very high100 Ų10059.2 Ų59.254%0.53530%0.301SS..  trans-62.4150.3172.3-64.2-52.3000112A49 Y50 I51D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.17Å; D47-Y50 WeakPolarHBondContact O-CB 3.28Å; D47-Y50 PolarHBondContact O-N 3.19Å; D47-I51 PolarHBondContact O-N 3.36Å; D47-I51 VanDerWaalsContact O-N 3.11Å
48P96Very high94.9Very high51 Ų5153.7 Ų53.733%0.33128%0.277SS..Hα-helixtrans-51.2-43.9170.1-28.835.2000113.6G27 Y50 I51 E52 F64G27-P48 WeakPolarHBondContact O-CD 3.45Å; G27-P48 VanDerWaalsContact O-CG 3.24Å; G27-P48 WeakPolarHBondContact O-CG 3.36Å; P48-Y50 VanDerWaalsContact C-N 3.32Å; P48-Y50 PolarHBondContact O-N 2.73Å; P48-I51 PolarHBondContact O-N 3.47Å; P48-E52 WeakPolarHBondContact O-CB 3.47Å; P48-E52 WeakPolarHBondContact O-CG 3.24Å; P48-E52 PolarHBondContact O-N 3.08Å; P48-F64 HydrophobicContact CB-CB 3.85Å; P48-F64 HydrophobicContact CB-CD1 3.89Å; P48-F64 HydrophobicContact CB-CD2 4.09Å; P48-F64 HydrophobicContact CB-CE1 4.43Å; P48-F64 HydrophobicContact CB-CG 3.68Å; P48-F64 HydrophobicContact CG-CD1 3.79Å; P48-F64 HydrophobicContact CG-CD2 4.3Å; P48-F64 HydrophobicContact CG-CE1 3.84Å; P48-F64 HydrophobicContact CG-CE2 4.31Å; P48-F64 HydrophobicContact CG-CG 4.01Å; P48-F64 HydrophobicContact CG-CZ 4.09Å
49A96.1Very high95.2Very high72 Ų7254.5 Ų54.560%0.59530%0.296SS*.Hα-helixtrans-65.4-33.3177.900000112.8D47 D53D47-A49 VanDerWaalsContact C-N 3.26Å; D47-A49 PolarHBondContact O-N 3.17Å; A49-D53 WeakPolarHBondContact O-CB 3.44Å; A49-D53 PolarHBondContact O-N 2.96Å
50Y96.4Very high95.5Very high90 Ų9054 Ų5435%0.35329%0.287SS..Hα-helixtrans-68-46.9177.1177.7-89.2000111.2F46 D47 P48 D53 L54 P137F46-Y50 HydrophobicContact CB-CD1 4.25Å; F46-Y50 AromaticContact CD1-CD1 3.66Å; F46-Y50 HydrophobicContact CD1-CD1 3.66Å; F46-Y50 AromaticContact CD1-CE1 3.53Å; F46-Y50 HydrophobicContact CD1-CE1 3.53Å; F46-Y50 AromaticContact CE1-CE1 3.93Å; F46-Y50 HydrophobicContact CE1-CE1 3.93Å; F46-Y50 HydrophobicContact CG-CD1 4.36Å; D47-Y50 WeakPolarHBondContact O-CB 3.28Å; D47-Y50 PolarHBondContact O-N 3.19Å; P48-Y50 VanDerWaalsContact C-N 3.32Å; P48-Y50 PolarHBondContact O-N 2.73Å; Y50-D53 PolarHBondContact O-N 3.04Å; Y50-L54 HydrophobicContact CE1-CD2 4.34Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.38Å; Y50-L54 PolarHBondContact O-N 3.3Å; Y50-P137 WeakPolarHBondContact OH-CD 3.49Å; Y50-P137 WeakPolarHBondContact OH-CG 3.35Å
51I96.8Very high95.6Very high0 Ų056.5 Ų56.50%030%0.296CS..Hα-helixtrans-64.5-42.8177.4-65.2-60.1000111.4L29 F46 D47 P48 D53 L54 T55 F64 F67 L136L29-I51 HydrophobicContact CD2-CD1 4.2Å; L29-I51 HydrophobicContact CD2-CG1 4.39Å; F46-I51 HydrophobicContact CB-CD1 3.74Å; F46-I51 HydrophobicContact CB-CG1 3.89Å; F46-I51 HydrophobicContact CG-CD1 4.09Å; D47-I51 PolarHBondContact O-N 3.36Å; D47-I51 VanDerWaalsContact O-N 3.11Å; P48-I51 PolarHBondContact O-N 3.47Å; I51-D53 VanDerWaalsContact C-N 3.35Å; I51-D53 PolarHBondContact O-N 3.41Å; I51-L54 HydrophobicContact CD1-CD2 4.44Å; I51-L54 WeakPolarHBondContact O-CB 3.48Å; I51-L54 PolarHBondContact O-N 3.13Å; I51-T55 HydrophobicContact CG2-CG2 4.46Å; I51-T55 VanDerWaalsContact O-CG2 3.27Å; I51-T55 WeakPolarHBondContact O-CG2 3.18Å; I51-T55 PolarHBondContact O-N 3.45Å; I51-T55 PolarHBondContact O-OG1 3.07Å; I51-F64 HydrophobicContact CB-CD2 3.89Å; I51-F64 HydrophobicContact CG1-CD2 3.92Å; I51-F64 HydrophobicContact CG1-CE2 4.11Å; I51-F64 HydrophobicContact CG2-CD2 4.08Å; I51-F67 HydrophobicContact CD1-CD1 4.19Å; I51-F67 HydrophobicContact CD1-CE1 3.86Å; I51-F67 HydrophobicContact CD1-CZ 4.37Å; I51-F67 HydrophobicContact CG1-CD1 4.48Å; I51-F67 HydrophobicContact CG2-CB 3.62Å; I51-F67 HydrophobicContact CG2-CD1 3.47Å; I51-F67 VanDerWaalsContact CG2-CD1 3.47Å; I51-F67 HydrophobicContact CG2-CD2 3.94Å; I51-F67 HydrophobicContact CG2-CE1 4.11Å; I51-F67 HydrophobicContact CG2-CE2 4.5Å; I51-F67 HydrophobicContact CG2-CG 3.38Å; I51-L136 HydrophobicContact CD1-CD2 3.58Å
52E96.7Very high95.7Very high53 Ų5356.3 Ų56.325%0.24830%0.295CS..Hα-helixtrans-64.3-38177.6-79.9-162.4-174.900112.6P48 T55 R56 F61 Q63 F64P48-E52 WeakPolarHBondContact O-CB 3.47Å; P48-E52 WeakPolarHBondContact O-CG 3.24Å; P48-E52 PolarHBondContact O-N 3.08Å; E52-T55 PolarHBondContact O-OG1 2.94Å; E52-T55 VanDerWaalsContact O-OG1 3.1Å; E52-R56 VanDerWaalsContact O-CB 3.31Å; E52-R56 WeakPolarHBondContact O-CB 3.29Å; E52-R56 PolarHBondContact O-N 3.31Å; E52-F61 HydrophobicContact CB-CE2 3.79Å; E52-F61 HydrophobicContact CB-CZ 4.43Å; E52-F61 HydrophobicContact CG-CE2 3.85Å; E52-F61 HydrophobicContact CG-CZ 4.08Å; E52-Q63 WeakPolarHBondContact OE1-CA 3.2Å; E52-F64 HydrophobicContact CG-CB 4.33Å; E52-F64 PolarHBondContact OE1-N 2.68Å; E52-F64 VanDerWaalsContact OE1-N 3.1Å
53D97.6Very high95.8Very high68 Ų6861.2 Ų61.236%0.36432%0.318SS..Hα-helixtrans-78.7-25.3173.2-89.97.7000113.8A49 Y50 I51 R56 K57A49-D53 WeakPolarHBondContact O-CB 3.44Å; A49-D53 PolarHBondContact O-N 2.96Å; Y50-D53 PolarHBondContact O-N 3.04Å; I51-D53 VanDerWaalsContact C-N 3.35Å; I51-D53 PolarHBondContact O-N 3.41Å; D53-R56 IonicContact OD1-CZ 3.96Å; D53-R56 VanDerWaalsContact OD1-CZ 3.3Å; D53-R56 IonicContact OD1-NE 3.95Å; D53-R56 PolarHBondContact OD1-NE 2.98Å; D53-R56 IonicContact OD1-NH2 2.6Å; D53-R56 PolarHBondContact OD1-NH2 3.46Å; D53-K57 WeakPolarHBondContact O-CB 3.4Å; D53-K57 WeakPolarHBondContact O-CD 3.4Å; D53-K57 WeakPolarHBondContact O-CE 3.38Å; D53-K57 WeakPolarHBondContact O-CG 3.31Å; D53-K57 PolarHBondContact O-N 3.08Å
54L96.3Very high95.8Very high17 Ų1759.1 Ų59.19%0.08931%0.311CS..Hα-helixtrans-63.5-49.7170.5176.964.8000110.4Y50 I51 R56 K57 T58 P135 L136Y50-L54 HydrophobicContact CE1-CD2 4.34Å; Y50-L54 VanDerWaalsContact O-CB 3.3Å; Y50-L54 WeakPolarHBondContact O-CB 3.38Å; Y50-L54 PolarHBondContact O-N 3.3Å; I51-L54 HydrophobicContact CD1-CD2 4.44Å; I51-L54 WeakPolarHBondContact O-CB 3.48Å; I51-L54 PolarHBondContact O-N 3.13Å; L54-R56 VanDerWaalsContact C-N 3.34Å; L54-K57 PolarHBondContact O-N 3Å; L54-T58 PolarHBondContact O-N 3.48Å; L54-P135 HydrophobicContact CD1-CG 4.3Å; L54-L136 HydrophobicContact CD2-CD2 3.75Å
55T96.3Very high95.8Very high0 Ų063 Ų630%034%0.335CS..Hα-helixtrans-70.1-31.3179.765.30000112I51 E52 T58 N60 K62 F67 Y134I51-T55 HydrophobicContact CG2-CG2 4.46Å; I51-T55 VanDerWaalsContact O-CG2 3.27Å; I51-T55 WeakPolarHBondContact O-CG2 3.18Å; I51-T55 PolarHBondContact O-N 3.45Å; I51-T55 PolarHBondContact O-OG1 3.07Å; E52-T55 PolarHBondContact O-OG1 2.94Å; E52-T55 VanDerWaalsContact O-OG1 3.1Å; T55-T58 PolarHBondContact O-N 3.13Å; T55-T58 PolarHBondContact O-OG1 2.9Å; T55-N60 CarbonylContact O-C 3.52Å; T55-N60 VanDerWaalsContact O-C 3.26Å; T55-N60 PolarHBondContact O-N 3.07Å; T55-N60 VanDerWaalsContact O-O 3.12Å; T55-K62 HydrophobicContact CG2-CB 3.94Å; T55-K62 PolarHBondContact OG1-N 3.42Å; T55-K62 PolarHBondContact OG1-O 3.29Å; T55-F67 HydrophobicContact CG2-CD2 3.62Å; T55-F67 HydrophobicContact CG2-CE2 4.01Å; T55-Y134 HydrophobicContact CG2-CD1 3.65Å; T55-Y134 HydrophobicContact CG2-CE1 3.61Å; T55-Y134 HydrophobicContact CG2-CG 4.47Å
56R96.6Very high95.7Very high123 Ų12361.5 Ų61.546%0.46433%0.33SS..Hα-helixtrans-62.5-42.1169.3-156.9-174.2-39-63.8-4.5112.2E52 D53 L54 T58 G59 F61E52-R56 VanDerWaalsContact O-CB 3.31Å; E52-R56 WeakPolarHBondContact O-CB 3.29Å; E52-R56 PolarHBondContact O-N 3.31Å; D53-R56 IonicContact OD1-CZ 3.96Å; D53-R56 VanDerWaalsContact OD1-CZ 3.3Å; D53-R56 IonicContact OD1-NE 3.95Å; D53-R56 PolarHBondContact OD1-NE 2.98Å; D53-R56 IonicContact OD1-NH2 2.6Å; D53-R56 PolarHBondContact OD1-NH2 3.46Å; L54-R56 VanDerWaalsContact C-N 3.34Å; R56-T58 VanDerWaalsContact C-N 3.33Å; R56-T58 PolarHBondContact O-N 3.45Å; R56-G59 PolarHBondContact O-N 3.38Å; R56-F61 HydrophobicContact CB-CD2 4.38Å; R56-F61 VanDerWaalsContact NH1-CE2 3.34Å
57K95.4Very high95.7Very high152 Ų15261.1 Ų61.166%0.66133%0.328SS*.Hα-helixtrans-69.4-25-179.9-73.3158.4-163153.50113.9D53 L54 G59D53-K57 WeakPolarHBondContact O-CB 3.4Å; D53-K57 WeakPolarHBondContact O-CD 3.4Å; D53-K57 WeakPolarHBondContact O-CE 3.38Å; D53-K57 WeakPolarHBondContact O-CG 3.31Å; D53-K57 PolarHBondContact O-N 3.08Å; L54-K57 PolarHBondContact O-N 3Å; K57-G59 VanDerWaalsContact C-N 3.27Å
58T92.9Very high95.7Very high49 Ų4956.4 Ų56.430%0.30130%0.303SS..THydrogen-bonded Turntrans-83.4-1.7173.859.90000113.3L54 T55 R56 N60 H133 Y134L54-T58 PolarHBondContact O-N 3.48Å; T55-T58 PolarHBondContact O-N 3.13Å; T55-T58 PolarHBondContact O-OG1 2.9Å; R56-T58 VanDerWaalsContact C-N 3.33Å; R56-T58 PolarHBondContact O-N 3.45Å; T58-N60 VanDerWaalsContact C-N 3.31Å; T58-N60 PolarHBondContact O-N 3.06Å; T58-H133 WeakPolarHBondContact CG2-O 3.47Å; T58-Y134 HydrophobicContact CG2-CD1 4Å; T58-Y134 VanDerWaalsContact OG1-CD1 3.32Å; T58-Y134 WeakPolarHBondContact OG1-CD1 3.42Å; T58-Y134 WeakPolarHBondContact OG1-CE1 3.5Å
59G92.7Very high95.6Very high71 Ų7156.1 Ų56.173%0.73230%0.302SS*.THydrogen-bonded Turntrans84.8-6.417900000115R56 K57R56-G59 PolarHBondContact O-N 3.38Å; K57-G59 VanDerWaalsContact C-N 3.27Å
60N94.5Very high95.6Very high35 Ų3553.7 Ų53.719%0.18728%0.278CS..SBendtrans-126.689.8-179.9-164.7-69.7000109.8T55 T58 K62 I132 Y134T55-N60 CarbonylContact O-C 3.52Å; T55-N60 VanDerWaalsContact O-C 3.26Å; T55-N60 PolarHBondContact O-N 3.07Å; T55-N60 VanDerWaalsContact O-O 3.12Å; T58-N60 VanDerWaalsContact C-N 3.31Å; T58-N60 PolarHBondContact O-N 3.06Å; N60-K62 PolarHBondContact OD1-NZ 2.64Å; N60-I132 HydrophobicContact CB-CB 4.42Å; N60-I132 HydrophobicContact CB-CD1 3.68Å; N60-I132 HydrophobicContact CB-CG1 3.66Å; N60-I132 HydrophobicContact CB-CG2 4.19Å; N60-I132 WeakPolarHBondContact ND2-CD1 2.81Å; N60-Y134 WeakPolarHBondContact O-CE1 3.4Å; N60-Y134 PolarHBondContact O-OH 2.83Å; N60-Y134 VanDerWaalsContact O-OH 3.06Å; N60-Y134 PolarHBondContact OD1-OH 2.97Å
61F96Very high95.5Very high88 Ų8849.4 Ų49.439%0.38626%0.262SS..  trans-64139-175.5177.5-111000112.5E52 R56 Q63E52-F61 HydrophobicContact CB-CE2 3.79Å; E52-F61 HydrophobicContact CB-CZ 4.43Å; E52-F61 HydrophobicContact CG-CE2 3.85Å; E52-F61 HydrophobicContact CG-CZ 4.08Å; R56-F61 HydrophobicContact CB-CD2 4.38Å; R56-F61 VanDerWaalsContact NH1-CE2 3.34Å; F61-Q63 HydrophobicContact CE1-CG 3.88Å; F61-Q63 HydrophobicContact CZ-CG 4.16Å
62K96.2Very high95.5Very high30 Ų3051.6 Ų51.613%0.1327%0.272CS..  trans-134.6131.9170-67.9-72.8179.6-75.20108.8T55 N60 I66 F67 M70T55-K62 HydrophobicContact CG2-CB 3.94Å; T55-K62 PolarHBondContact OG1-N 3.42Å; T55-K62 PolarHBondContact OG1-O 3.29Å; N60-K62 PolarHBondContact OD1-NZ 2.64Å; K62-I66 HydrophobicContact CD-CG2 3.94Å; K62-F67 HydrophobicContact CB-CB 4.4Å; K62-M70 HydrophobicContact CD-SD 3.64Å; K62-M70 VanDerWaalsContact CE-SD 3.58Å; K62-M70 HydrophobicContact CG-SD 4Å
63Q96.3Very high95.4Very high108 Ų10850.7 Ų50.751%0.50527%0.271SS..  trans-65.1148.6170.9-60.9-179.5-73.900109.9E52 F61 I66 F67E52-Q63 WeakPolarHBondContact OE1-CA 3.2Å; F61-Q63 HydrophobicContact CE1-CG 3.88Å; F61-Q63 HydrophobicContact CZ-CG 4.16Å; Q63-I66 HydrophobicContact CB-CD1 4.05Å; Q63-I66 HydrophobicContact CB-CG1 4.24Å; Q63-I66 HydrophobicContact CG-CD1 4.34Å; Q63-I66 WeakPolarHBondContact O-CB 3.44Å; Q63-I66 PolarHBondContact O-N 3.31Å; Q63-F67 PolarHBondContact O-N 2.82Å
64F95.9Very high95.3Very high16 Ų1647.5 Ų47.57%0.0725%0.254CS..Hα-helixtrans-52.1-46.2-174.5172.4-104.9000115.2L24 G27 L29 P48 I51 E52 I66 F67 C68L24-F64 HydrophobicContact CD1-CE1 3.92Å; L24-F64 HydrophobicContact CD1-CZ 3.71Å; G27-F64 WeakPolarHBondContact O-CE1 3.22Å; G27-F64 WeakPolarHBondContact O-CZ 3.43Å; L29-F64 HydrophobicContact CB-CE2 3.6Å; L29-F64 HydrophobicContact CB-CZ 3.82Å; P48-F64 HydrophobicContact CB-CB 3.85Å; P48-F64 HydrophobicContact CB-CD1 3.89Å; P48-F64 HydrophobicContact CB-CD2 4.09Å; P48-F64 HydrophobicContact CB-CE1 4.43Å; P48-F64 HydrophobicContact CB-CG 3.68Å; P48-F64 HydrophobicContact CG-CD1 3.79Å; P48-F64 HydrophobicContact CG-CD2 4.3Å; P48-F64 HydrophobicContact CG-CE1 3.84Å; P48-F64 HydrophobicContact CG-CE2 4.31Å; P48-F64 HydrophobicContact CG-CG 4.01Å; P48-F64 HydrophobicContact CG-CZ 4.09Å; I51-F64 HydrophobicContact CB-CD2 3.89Å; I51-F64 HydrophobicContact CG1-CD2 3.92Å; I51-F64 HydrophobicContact CG1-CE2 4.11Å; I51-F64 HydrophobicContact CG2-CD2 4.08Å; E52-F64 HydrophobicContact CG-CB 4.33Å; E52-F64 PolarHBondContact OE1-N 2.68Å; E52-F64 VanDerWaalsContact OE1-N 3.1Å; F64-I66 VanDerWaalsContact C-N 3.3Å; F64-I66 PolarHBondContact O-N 3.26Å; F64-F67 PolarHBondContact O-N 2.89Å; F64-C68 VanDerWaalsContact CE2-SG 3.5Å; F64-C68 VanDerWaalsContact CZ-SG 3.52Å; F64-C68 PolarHBondContact O-N 2.87Å; F64-C68 PolarHBondContact O-SG 2.98Å
65P94.5Very high95.2Very high84 Ų8446.7 Ų46.755%0.54525%0.25SS..Hα-helixtrans-66.5-30.6179.3-21.434.5000113.6S69P65-S69 WeakPolarHBondContact O-CB 3.25Å; P65-S69 PolarHBondContact O-N 3.16Å; P65-S69 VanDerWaalsContact O-N 3.09Å; P65-S69 PolarHBondContact O-OG 3.48Å
66I95.2Very high95Very high77 Ų7748.8 Ų48.840%0.39527%0.265SS..Hα-helixtrans-69.6-44.6175.2-54.5176.1000109K62 Q63 F64 C68 S69 M70K62-I66 HydrophobicContact CD-CG2 3.94Å; Q63-I66 HydrophobicContact CB-CD1 4.05Å; Q63-I66 HydrophobicContact CB-CG1 4.24Å; Q63-I66 HydrophobicContact CG-CD1 4.34Å; Q63-I66 WeakPolarHBondContact O-CB 3.44Å; Q63-I66 PolarHBondContact O-N 3.31Å; F64-I66 VanDerWaalsContact C-N 3.3Å; F64-I66 PolarHBondContact O-N 3.26Å; I66-C68 PolarHBondContact O-N 3.03Å; I66-S69 PolarHBondContact O-N 3.28Å; I66-M70 HydrophobicContact CG2-CG 4.41Å; I66-M70 HydrophobicContact CG2-SD 4.11Å; I66-M70 WeakPolarHBondContact O-CB 3.13Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 2.93Å
67F96Very high94.8Very high0 Ų048.5 Ų48.50%027%0.273CS..Hα-helixtrans-61-43.9176.5-174.8-86.2000112.2L29 I51 T55 K62 Q63 F64 S69 M70 L71 L123 Y134 L136L29-F67 HydrophobicContact CD2-CD1 4.04Å; L29-F67 HydrophobicContact CD2-CE1 3.97Å; I51-F67 HydrophobicContact CD1-CD1 4.19Å; I51-F67 HydrophobicContact CD1-CE1 3.86Å; I51-F67 HydrophobicContact CD1-CZ 4.37Å; I51-F67 HydrophobicContact CG1-CD1 4.48Å; I51-F67 HydrophobicContact CG2-CB 3.62Å; I51-F67 HydrophobicContact CG2-CD1 3.47Å; I51-F67 VanDerWaalsContact CG2-CD1 3.47Å; I51-F67 HydrophobicContact CG2-CD2 3.94Å; I51-F67 HydrophobicContact CG2-CE1 4.11Å; I51-F67 HydrophobicContact CG2-CE2 4.5Å; I51-F67 HydrophobicContact CG2-CG 3.38Å; T55-F67 HydrophobicContact CG2-CD2 3.62Å; T55-F67 HydrophobicContact CG2-CE2 4.01Å; K62-F67 HydrophobicContact CB-CB 4.4Å; Q63-F67 PolarHBondContact O-N 2.82Å; F64-F67 PolarHBondContact O-N 2.89Å; F67-S69 VanDerWaalsContact C-N 3.35Å; F67-S69 PolarHBondContact O-N 2.74Å; F67-M70 PolarHBondContact O-N 3.18Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 PolarHBondContact O-N 3.41Å; F67-L123 HydrophobicContact CD2-CD2 4.14Å; F67-L123 HydrophobicContact CE2-CD2 3.73Å; F67-L123 HydrophobicContact CZ-CB 4.49Å; F67-L123 HydrophobicContact CZ-CD2 3.93Å; F67-Y134 HydrophobicContact CE2-CD1 4.42Å; F67-Y134 HydrophobicContact CE2-CD2 4.1Å; F67-Y134 AromaticContact CE2-CG 3.87Å; F67-Y134 HydrophobicContact CE2-CG 3.87Å; F67-L136 HydrophobicContact CE1-CD1 4.09Å; F67-L136 HydrophobicContact CE1-CD2 4.09Å; F67-L136 HydrophobicContact CZ-CD1 4.09Å; F67-L136 HydrophobicContact CZ-CD2 3.94Å; F67-L136 HydrophobicContact CZ-CG 4.21Å
68C95.2Very high94.7Very high1 Ų146 Ų461%0.00727%0.271CS..Hα-helixtrans-61.1-43.8176.5-61.60000111.6M1 F64 I66 L71 E72M1-C68 HydrophobicContact CB-CB 4.26Å; M1-C68 HydrophobicContact SD-CB 4.05Å; F64-C68 VanDerWaalsContact CE2-SG 3.5Å; F64-C68 VanDerWaalsContact CZ-SG 3.52Å; F64-C68 PolarHBondContact O-N 2.87Å; F64-C68 PolarHBondContact O-SG 2.98Å; I66-C68 PolarHBondContact O-N 3.03Å; C68-L71 PolarHBondContact O-N 3.49Å; C68-E72 WeakPolarHBondContact O-CB 3.17Å; C68-E72 PolarHBondContact O-N 2.89Å
69S94.6Very high94.7Very high44 Ų4446 Ų4631%0.30827%0.272SS..Hα-helixtrans-69.7-32.6178.4-49.90000112.5P65 I66 F67 S73P65-S69 WeakPolarHBondContact O-CB 3.25Å; P65-S69 PolarHBondContact O-N 3.16Å; P65-S69 VanDerWaalsContact O-N 3.09Å; P65-S69 PolarHBondContact O-OG 3.48Å; I66-S69 PolarHBondContact O-N 3.28Å; F67-S69 VanDerWaalsContact C-N 3.35Å; F67-S69 PolarHBondContact O-N 2.74Å; S69-S73 PolarHBondContact O-N 3.45Å; S69-S73 PolarHBondContact O-OG 3.37Å
70M95.1Very high94.7Very high21 Ų2151.4 Ų51.410%0.10328%0.278CS..Hα-helixtrans-65.2-39.8170.1-74172.764.100112.1K62 I66 F67 A74 V82 L123 Y125 Y134K62-M70 HydrophobicContact CD-SD 3.64Å; K62-M70 VanDerWaalsContact CE-SD 3.58Å; K62-M70 HydrophobicContact CG-SD 4Å; I66-M70 HydrophobicContact CG2-CG 4.41Å; I66-M70 HydrophobicContact CG2-SD 4.11Å; I66-M70 WeakPolarHBondContact O-CB 3.13Å; I66-M70 VanDerWaalsContact O-CG 3.28Å; I66-M70 WeakPolarHBondContact O-CG 3.42Å; I66-M70 PolarHBondContact O-N 2.93Å; F67-M70 PolarHBondContact O-N 3.18Å; M70-A74 WeakPolarHBondContact O-CB 3.32Å; M70-A74 PolarHBondContact O-N 2.92Å; M70-V82 HydrophobicContact CB-CG1 4.2Å; M70-V82 HydrophobicContact CE-CG1 3.79Å; M70-V82 HydrophobicContact CG-CG1 4.4Å; M70-L123 HydrophobicContact CB-CD2 4.05Å; M70-L123 HydrophobicContact CE-CD2 4.41Å; M70-Y125 HydrophobicContact CE-CD1 4.09Å; M70-Y125 HydrophobicContact CE-CD2 3.42Å; M70-Y125 VanDerWaalsContact CE-CD2 3.42Å; M70-Y125 HydrophobicContact CE-CE2 3.97Å; M70-Y125 HydrophobicContact CE-CG 3.49Å; M70-Y125 VanDerWaalsContact CE-CG 3.49Å; M70-Y134 HydrophobicContact CE-CE2 4.41Å
71L95.8Very high94.7Very high0 Ų052.4 Ų52.40%029%0.288CS..Hα-helixtrans-70.7-39.7179-162.675.7000111.4I22 L29 V31 F67 C68 A74 V75 L84 L121 L123 L136I22-L71 HydrophobicContact CD1-CB 4.24Å; I22-L71 HydrophobicContact CD1-CD2 3.68Å; I22-L71 HydrophobicContact CD1-CG 3.59Å; I22-L71 HydrophobicContact CG1-CD2 4.15Å; I22-L71 HydrophobicContact CG2-CD2 4.41Å; L29-L71 HydrophobicContact CD1-CD2 4.32Å; L29-L71 HydrophobicContact CD2-CD2 4.14Å; V31-L71 HydrophobicContact CG2-CD2 3.89Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 PolarHBondContact O-N 3.41Å; C68-L71 PolarHBondContact O-N 3.49Å; L71-A74 PolarHBondContact O-N 2.78Å; L71-V75 PolarHBondContact O-N 2.89Å; L71-L84 HydrophobicContact CD1-CD2 4.01Å; L71-L121 HydrophobicContact CD1-CD2 4.35Å; L71-L123 HydrophobicContact CB-CD2 4.41Å; L71-L123 HydrophobicContact CD1-CB 3.97Å; L71-L123 HydrophobicContact CD1-CD1 4.24Å; L71-L123 HydrophobicContact CD1-CD2 4.05Å; L71-L123 HydrophobicContact CD1-CG 4.31Å; L71-L136 HydrophobicContact CD1-CD1 4.05Å; L71-L136 HydrophobicContact CD2-CD1 4.05Å
72E94.9Very high94.7Very high46 Ų4648.5 Ų48.522%0.21527%0.272CS..Hα-helixtrans-58.1-47.9170.3179-176.4-128.400112M1 V7 C68 A74 V75 S76M1-E72 WeakPolarHBondContact CA-OE1 3.19Å; M1-E72 WeakPolarHBondContact CA-OE2 3.34Å; M1-E72 WeakPolarHBondContact CB-OE1 3.35Å; M1-E72 WeakPolarHBondContact CB-OE2 3.21Å; M1-E72 HydrophobicContact CE-CB 3.81Å; M1-E72 HydrophobicContact CE-CG 4.01Å; M1-E72 VanDerWaalsContact N-CD 3.32Å; M1-E72 PolarHBondContact N-OE1 2.85Å; M1-E72 VanDerWaalsContact N-OE1 3.17Å; M1-E72 PolarHBondContact N-OE2 3.02Å; M1-E72 HydrophobicContact SD-CB 4.44Å; V7-E72 HydrophobicContact CG2-CG 4.39Å; C68-E72 WeakPolarHBondContact O-CB 3.17Å; C68-E72 PolarHBondContact O-N 2.89Å; E72-A74 VanDerWaalsContact C-N 3.28Å; E72-A74 PolarHBondContact O-N 2.88Å; E72-V75 PolarHBondContact O-N 3.35Å; E72-S76 WeakPolarHBondContact O-CB 3.37Å; E72-S76 PolarHBondContact O-N 2.92Å; E72-S76 PolarHBondContact O-OG 3.28Å
73S95.1Very high94.7Very high34 Ų3450 Ų5024%0.23828%0.283CS..Hα-helixtrans-63.4-32.5173.9-730000113.5S69 S76 N77 T78S69-S73 PolarHBondContact O-N 3.45Å; S69-S73 PolarHBondContact O-OG 3.37Å; S73-S76 WeakPolarHBondContact CA-OG 3.35Å; S73-S76 PolarHBondContact O-OG 3.3Å; S73-N77 CarbonylContact O-C 3.54Å; S73-N77 WeakPolarHBondContact O-CA 3.38Å; S73-N77 PolarHBondContact O-N 3.39Å; S73-T78 WeakPolarHBondContact CA-OG1 3.29Å; S73-T78 PolarHBondContact O-N 3.44Å; S73-T78 PolarHBondContact O-OG1 3.34Å; S73-T78 PolarHBondContact OG-OG1 2.9Å
74A95.3Very high94.7Very high1 Ų146.2 Ų46.21%0.00827%0.266CS..Hα-helixtrans-76.8-32179.800000113.1M70 L71 E72 V82 L84 L123M70-A74 WeakPolarHBondContact O-CB 3.32Å; M70-A74 PolarHBondContact O-N 2.92Å; L71-A74 PolarHBondContact O-N 2.78Å; E72-A74 VanDerWaalsContact C-N 3.28Å; E72-A74 PolarHBondContact O-N 2.88Å; A74-V82 HydrophobicContact CB-CB 3.96Å; A74-V82 HydrophobicContact CB-CG2 3.91Å; A74-L84 HydrophobicContact CB-CD1 4.2Å; A74-L84 HydrophobicContact CB-CD2 3.88Å; A74-L84 HydrophobicContact CB-CG 3.81Å; A74-L123 HydrophobicContact CB-CD1 3.71Å
75V94.6Very high94.6Very high0 Ų047.1 Ų47.10%027%0.272CS..Hα-helixtrans-75-44.3172.7165.50000111.3V7 E9 I11 V20 I22 L71 E72 N77 L84V7-V75 HydrophobicContact CG1-CG1 3.95Å; E9-V75 HydrophobicContact CB-CG1 3.77Å; E9-V75 HydrophobicContact CG-CG1 3.8Å; I11-V75 HydrophobicContact CD1-CB 4.27Å; I11-V75 HydrophobicContact CD1-CG1 4.23Å; I11-V75 HydrophobicContact CD1-CG2 4.07Å; V20-V75 HydrophobicContact CB-CG2 4.42Å; V20-V75 HydrophobicContact CG1-CG2 3.73Å; I22-V75 HydrophobicContact CD1-CB 4Å; I22-V75 HydrophobicContact CD1-CG2 3.37Å; I22-V75 HydrophobicContact CG1-CG2 4.18Å; L71-V75 PolarHBondContact O-N 2.89Å; E72-V75 PolarHBondContact O-N 3.35Å; V75-N77 PolarHBondContact O-N 2.9Å; V75-N77 PolarHBondContact O-ND2 2.89Å; V75-N77 VanDerWaalsContact O-ND2 3.12Å; V75-L84 HydrophobicContact CG2-CD1 3.57Å
76S92.8Very high94.7Very high44 Ų4443.7 Ų43.731%0.30825%0.249SC..THydrogen-bonded Turntrans-74.2-3.3175.958.90000114.4E72 S73 T78E72-S76 WeakPolarHBondContact O-CB 3.37Å; E72-S76 PolarHBondContact O-N 2.92Å; E72-S76 PolarHBondContact O-OG 3.28Å; S73-S76 WeakPolarHBondContact CA-OG 3.35Å; S73-S76 PolarHBondContact O-OG 3.3Å; S76-T78 PolarHBondContact O-N 2.74Å; S76-T78 VanDerWaalsContact O-N 3.15Å; S76-T78 WeakPolarHBondContact OG-CG2 3.34Å; S76-T78 PolarHBondContact OG-OG1 3.49Å
77N91.9Very high94.6Very high118 Ų11840.3 Ų40.363%0.63123%0.232SC*.THydrogen-bonded Turntrans50.832.5-174.7-65-86.6000113.7S73 V75S73-N77 CarbonylContact O-C 3.54Å; S73-N77 WeakPolarHBondContact O-CA 3.38Å; S73-N77 PolarHBondContact O-N 3.39Å; V75-N77 PolarHBondContact O-N 2.9Å; V75-N77 PolarHBondContact O-ND2 2.89Å; V75-N77 VanDerWaalsContact O-ND2 3.12Å
78T93.1Very high94.5Very high100 Ų10042.1 Ų42.161%0.61324%0.243SC*.  trans-88.4-2.9-175.949.10000114.3S73 S76S73-T78 WeakPolarHBondContact CA-OG1 3.29Å; S73-T78 PolarHBondContact O-N 3.44Å; S73-T78 PolarHBondContact O-OG1 3.34Å; S73-T78 PolarHBondContact OG-OG1 2.9Å; S76-T78 PolarHBondContact O-N 2.74Å; S76-T78 VanDerWaalsContact O-N 3.15Å; S76-T78 WeakPolarHBondContact OG-CG2 3.34Å; S76-T78 PolarHBondContact OG-OG1 3.49Å
79S93.4Very high94.2Very high47 Ų4744.8 Ų44.833%0.32925%0.253SS..  trans-146.4122178.4-1780000112.1S81 V82S79-S81 PolarHBondContact O-N 2.8Å; S79-V82 WeakPolarHBondContact O-CG2 3.5Å; S79-V82 PolarHBondContact O-N 3.42Å; S79-V82 VanDerWaalsContact O-O 3.12Å
80E93.1Very high93.9Very high186 Ų18645 Ų4587%0.86926%0.258SS*.THydrogen-bonded Turntrans-64.1-24.2179.4-172.7176.7-174.300113.5V82E80-V82 PolarHBondContact O-N 3.32Å
81S93.8Very high93.7Very high55 Ų5545.8 Ų45.839%0.38526%0.262SS..THydrogen-bonded Turntrans-70.9-7.8178.4-49.50000113.9S79 Y125 T126S79-S81 PolarHBondContact O-N 2.8Å; S81-Y125 WeakPolarHBondContact O-CD2 3.35Å; S81-T126 PolarHBondContact O-N 3.43Å; S81-T126 PolarHBondContact O-OG1 3.37Å
82V96.3Very high93.3Very high7 Ų748.2 Ų48.24%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-133.5129.9179.7-73.30000111.8M70 A74 S79 E80 L123 I124 Y125M70-V82 HydrophobicContact CB-CG1 4.2Å; M70-V82 HydrophobicContact CE-CG1 3.79Å; M70-V82 HydrophobicContact CG-CG1 4.4Å; A74-V82 HydrophobicContact CB-CB 3.96Å; A74-V82 HydrophobicContact CB-CG2 3.91Å; S79-V82 WeakPolarHBondContact O-CG2 3.5Å; S79-V82 PolarHBondContact O-N 3.42Å; S79-V82 VanDerWaalsContact O-O 3.12Å; E80-V82 PolarHBondContact O-N 3.32Å; V82-L123 HydrophobicContact CB-CD1 4.09Å; V82-L123 HydrophobicContact CG1-CD1 4.24Å; V82-I124 WeakPolarHBondContact CA-O 3.28Å; V82-Y125 HydrophobicContact CG1-CD2 3.83Å
83T95.4Very high92.8Very high61 Ų6147.9 Ų47.937%0.37427%0.273SS..EExtended strand (participates in β ladder)trans-136.4163178.349.30000111I124T83-I124 PolarHBondContact N-O 2.91Å; T83-I124 PolarHBondContact O-N 3.14Å
84L96.1Very high92.4Very high28 Ų2851.3 Ų51.315%0.14729%0.288CS..EExtended strand (participates in β ladder)trans-118.3142.4-179.4-60.7176.1000111.3I11 F13 L71 A74 V75 L121 I122 L123I11-L84 HydrophobicContact CD1-CD1 3.91Å; F13-L84 HydrophobicContact CE1-CB 3.65Å; F13-L84 HydrophobicContact CZ-CB 3.97Å; L71-L84 HydrophobicContact CD1-CD2 4.01Å; A74-L84 HydrophobicContact CB-CD1 4.2Å; A74-L84 HydrophobicContact CB-CD2 3.88Å; A74-L84 HydrophobicContact CB-CG 3.81Å; V75-L84 HydrophobicContact CG2-CD1 3.57Å; L84-L121 HydrophobicContact CB-CD1 4.19Å; L84-L121 HydrophobicContact CD1-CD1 4.4Å; L84-L121 HydrophobicContact CD2-CD1 4.18Å; L84-L121 HydrophobicContact CD2-CG 4.37Å; L84-L121 HydrophobicContact CG-CD1 4.49Å; L84-I122 WeakPolarHBondContact CA-O 3.29Å; L84-L123 HydrophobicContact CD2-CB 4.37Å; L84-L123 HydrophobicContact CD2-CD1 3.95Å
85D95.6Very high91.9Very high36 Ų3655.3 Ų55.319%0.19331%0.309CS..EExtended strand (participates in β ladder)trans-132.7152.7163.3-171.612.9000108.8R14 L87 I122 I124R14-D85 IonicContact CZ-OD1 3.12Å; R14-D85 IonicContact CZ-OD2 3.79Å; R14-D85 IonicContact NE-OD1 2.69Å; R14-D85 PolarHBondContact NE-OD1 3.25Å; R14-D85 IonicContact NE-OD2 2.77Å; R14-D85 IonicContact NH2-OD1 2.68Å; R14-D85 IonicContact NH2-OD2 2.7Å; R14-D85 PolarHBondContact NH2-OD2 2.78Å; D85-L87 WeakPolarHBondContact OD2-CD2 3.1Å; D85-I122 PolarHBondContact N-O 3.15Å; D85-I122 PolarHBondContact O-N 3.23Å; D85-I124 HydrophobicContact CB-CD1 4.1Å
86L95.2Very high91.4Very high11 Ų1161.5 Ų61.56%0.05833%0.333CS..EExtended strand (participates in β ladder)trans-120.4112.6-178.4-173.163.5000109.8F13 F18 I33 R119 L121F13-L86 HydrophobicContact CB-CB 3.84Å; F13-L86 HydrophobicContact CD1-CB 3.9Å; F13-L86 HydrophobicContact CD2-CB 3.53Å; F13-L86 HydrophobicContact CD2-CD2 3.66Å; F13-L86 HydrophobicContact CD2-CG 4.21Å; F13-L86 HydrophobicContact CE1-CB 4.36Å; F13-L86 HydrophobicContact CE2-CB 4.02Å; F13-L86 HydrophobicContact CE2-CD2 4.18Å; F13-L86 HydrophobicContact CG-CB 3.46Å; F13-L86 VanDerWaalsContact CG-CB 3.46Å; F13-L86 HydrophobicContact CG-CD2 4.33Å; F13-L86 HydrophobicContact CZ-CB 4.42Å; F18-L86 HydrophobicContact CD1-CD2 4.03Å; F18-L86 HydrophobicContact CD2-CD2 4.15Å; F18-L86 HydrophobicContact CE1-CD2 3.98Å; F18-L86 HydrophobicContact CE2-CD2 4.07Å; F18-L86 HydrophobicContact CG-CD2 4.12Å; F18-L86 HydrophobicContact CZ-CD2 4Å; I33-L86 HydrophobicContact CD1-CD1 3.61Å; I33-L86 HydrophobicContact CD1-CD2 4.32Å; I33-L86 HydrophobicContact CG2-CD2 4.06Å; L86-R119 HydrophobicContact CD1-CB 3.84Å; L86-R119 HydrophobicContact CD1-CG 4.46Å; L86-R119 HydrophobicContact CG-CB 4.47Å; L86-L121 HydrophobicContact CD1-CB 4.37Å
87L93.9Very high91Very high7 Ų762.1 Ų62.14%0.03733%0.332CS..EExtended strand (participates in β ladder)trans-108.8144.2-173-59.6-173.4000112.6R14 D85 D91 L92 L95 R119 Y120 I122R14-L87 VanDerWaalsContact CZ-CD2 3.42Å; D85-L87 WeakPolarHBondContact OD2-CD2 3.1Å; L87-D91 HydrophobicContact CB-CB 4.11Å; L87-D91 HydrophobicContact CD2-CB 3.99Å; L87-L92 HydrophobicContact CB-CG 4.32Å; L87-L92 HydrophobicContact CD1-CD2 3.55Å; L87-L92 HydrophobicContact CD1-CG 4.14Å; L87-L95 HydrophobicContact CD1-CD1 3.76Å; L87-R119 CarbonylContact O-C 3.26Å; L87-R119 WeakPolarHBondContact O-CA 3.15Å; L87-Y120 PolarHBondContact N-O 3.46Å; L87-Y120 PolarHBondContact O-N 2.89Å; L87-I122 HydrophobicContact CB-CG1 4.49Å; L87-I122 HydrophobicContact CD1-CD1 3.91Å; L87-I122 HydrophobicContact CD1-CG1 3.66Å; L87-I122 HydrophobicContact CG-CD1 4.23Å; L87-I122 HydrophobicContact CG-CG1 3.73Å
88T92.9Very high90.6Very high38 Ų3866.3 Ų66.323%0.23334%0.339CS..EExtended strand (participates in β ladder)trans-81.7168.8162.273.40000110.8A90 D91 L92T88-A90 PolarHBondContact O-N 2.84Å; T88-A90 PolarHBondContact OG1-N 2.73Å; T88-D91 VanDerWaalsContact CB-OD2 3.3Å; T88-D91 WeakPolarHBondContact CB-OD2 3.03Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.9Å; T88-D91 PolarHBondContact OG1-N 2.88Å; T88-D91 VanDerWaalsContact OG1-N 3.13Å; T88-D91 PolarHBondContact OG1-OD2 3.08Å; T88-L92 PolarHBondContact O-N 3.25Å
89Y89.3Confident90Very high57 Ų5770.8 Ų70.822%0.22435%0.35CS..Hα-helixtrans-59.3-36.3170.1-174.1-101.8000112.3L92 E93 Q111 Y120Y89-L92 PolarHBondContact O-N 3.05Å; Y89-E93 HydrophobicContact CD1-CG 4.2Å; Y89-E93 HydrophobicContact CE1-CG 3.81Å; Y89-E93 WeakPolarHBondContact O-CG 3.18Å; Y89-E93 PolarHBondContact O-N 3.41Å; Y89-E93 VanDerWaalsContact O-N 3.08Å; Y89-Q111 HydrophobicContact CE1-CG 4.41Å; Y89-Y120 HydrophobicContact CD2-CE2 4.28Å
90A88.3Confident89Confident49 Ų4971.6 Ų71.641%0.40536%0.359SS..Hα-helixtrans-67.5-39.2178.500000112.4T88 L92 E93 L94T88-A90 PolarHBondContact O-N 2.84Å; T88-A90 PolarHBondContact OG1-N 2.73Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.42Å; A90-E93 PolarHBondContact O-N 3.05Å; A90-L94 WeakPolarHBondContact O-CG 3.24Å; A90-L94 PolarHBondContact O-N 2.88Å
91D90.8Very high87.7Confident37 Ų3765.7 Ų65.720%0.19835%0.349CS..Hα-helixtrans-59.5-42.5173.4-66.9-78.2000111.7R14 L87 T88 L94 L95R14-D91 IonicContact NH1-OD1 3.14Å; R14-D91 PolarHBondContact NH1-OD1 3.11Å; L87-D91 HydrophobicContact CB-CB 4.11Å; L87-D91 HydrophobicContact CD2-CB 3.99Å; T88-D91 VanDerWaalsContact CB-OD2 3.3Å; T88-D91 WeakPolarHBondContact CB-OD2 3.03Å; T88-D91 WeakPolarHBondContact CG2-OD2 3.49Å; T88-D91 PolarHBondContact N-OD2 3.12Å; T88-D91 PolarHBondContact O-N 2.9Å; T88-D91 PolarHBondContact OG1-N 2.88Å; T88-D91 VanDerWaalsContact OG1-N 3.13Å; T88-D91 PolarHBondContact OG1-OD2 3.08Å; D91-L94 PolarHBondContact O-N 2.98Å; D91-L95 WeakPolarHBondContact O-CB 3.38Å; D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.24Å; D91-L95 PolarHBondContact O-N 3Å
92L86.6Confident86Confident50 Ų5067.3 Ų67.326%0.26236%0.356SS..Hα-helixtrans-64.7-38.5176.7-73.4176.2000112.4L87 T88 Y89 A90 R96 Y120L87-L92 HydrophobicContact CB-CG 4.32Å; L87-L92 HydrophobicContact CD1-CD2 3.55Å; L87-L92 HydrophobicContact CD1-CG 4.14Å; T88-L92 PolarHBondContact O-N 3.25Å; Y89-L92 PolarHBondContact O-N 3.05Å; A90-L92 VanDerWaalsContact C-N 3.31Å; A90-L92 PolarHBondContact O-N 3.42Å; L92-R96 VanDerWaalsContact O-CB 3.28Å; L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.41Å; L92-Y120 HydrophobicContact CD1-CD1 3.75Å; L92-Y120 HydrophobicContact CD1-CD2 3.45Å; L92-Y120 VanDerWaalsContact CD1-CD2 3.45Å; L92-Y120 HydrophobicContact CD1-CE1 3.96Å; L92-Y120 HydrophobicContact CD1-CE2 3.7Å; L92-Y120 HydrophobicContact CD1-CG 3.49Å; L92-Y120 VanDerWaalsContact CD1-CG 3.49Å
93E85.2Confident84.1Confident39 Ų3974.4 Ų74.418%0.18240%0.399CS..Hα-helixtrans-66.2-41.9173.4-64.2-139.591.100111.9Y89 A90 R96 N97 Q111Y89-E93 HydrophobicContact CD1-CG 4.2Å; Y89-E93 HydrophobicContact CE1-CG 3.81Å; Y89-E93 WeakPolarHBondContact O-CG 3.18Å; Y89-E93 PolarHBondContact O-N 3.41Å; Y89-E93 VanDerWaalsContact O-N 3.08Å; A90-E93 PolarHBondContact O-N 3.05Å; E93-R96 PolarHBondContact O-N 2.88Å; E93-R96 IonicContact OE1-CZ 3.2Å; E93-R96 VanDerWaalsContact OE1-CZ 3.22Å; E93-R96 IonicContact OE1-NH1 2.74Å; E93-R96 PolarHBondContact OE1-NH1 3.48Å; E93-R96 IonicContact OE1-NH2 2.78Å; E93-R96 PolarHBondContact OE1-NH2 3.11Å; E93-N97 WeakPolarHBondContact O-CB 3.46Å; E93-N97 PolarHBondContact O-N 2.97Å; E93-N97 PolarHBondContact O-ND2 2.94Å; E93-N97 PolarHBondContact O-OD1 3.28Å; E93-Q111 PolarHBondContact OE2-NE2 3.25Å
94L85.9Confident81.8Confident107 Ų10773.4 Ų73.456%0.5640%0.401SS*.Hα-helixtrans-62.7-45175.6-71.5171.3000111.8A90 D91 N97 R98A90-L94 WeakPolarHBondContact O-CG 3.24Å; A90-L94 PolarHBondContact O-N 2.88Å; D91-L94 PolarHBondContact O-N 2.98Å; L94-N97 PolarHBondContact O-N 3.13Å; L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 WeakPolarHBondContact O-CG 3.24Å; L94-R98 PolarHBondContact O-N 3.3Å
95L85.9Confident79.8Confident84 Ų8483.3 Ų83.344%0.4444%0.436SS..Hα-helixtrans-63.4-43.5175.6-73171.7000111.6L87 D91 R98 K99L87-L95 HydrophobicContact CD1-CD1 3.76Å; D91-L95 WeakPolarHBondContact O-CB 3.38Å; D91-L95 VanDerWaalsContact O-CG 3.29Å; D91-L95 WeakPolarHBondContact O-CG 3.24Å; D91-L95 PolarHBondContact O-N 3Å; L95-R98 PolarHBondContact O-N 2.82Å; L95-K99 WeakPolarHBondContact O-CB 3.47Å; L95-K99 PolarHBondContact O-N 3.46Å
96R84.7Confident77.7Confident131 Ų13187.4 Ų87.449%0.49447%0.465SS..Hα-helixtrans-59.3-48.9175-176.3-166.968.4-145.8-9111.3L92 E93 K99 A100L92-R96 VanDerWaalsContact O-CB 3.28Å; L92-R96 WeakPolarHBondContact O-CB 3.38Å; L92-R96 PolarHBondContact O-N 3.41Å; E93-R96 PolarHBondContact O-N 2.88Å; E93-R96 IonicContact OE1-CZ 3.2Å; E93-R96 VanDerWaalsContact OE1-CZ 3.22Å; E93-R96 IonicContact OE1-NH1 2.74Å; E93-R96 PolarHBondContact OE1-NH1 3.48Å; E93-R96 IonicContact OE1-NH2 2.78Å; E93-R96 PolarHBondContact OE1-NH2 3.11Å; R96-K99 PolarHBondContact O-N 2.96Å; R96-A100 WeakPolarHBondContact O-CB 3.1Å; R96-A100 PolarHBondContact O-N 3.14Å
97N83.7Confident75.7Confident56 Ų5696.9 Ų96.930%0.29950%0.5SS..Hα-helixtrans-66.9-39.6-176.5-62.5-6.9000111E93 L94 A100 G101 V102E93-N97 WeakPolarHBondContact O-CB 3.46Å; E93-N97 PolarHBondContact O-N 2.97Å; E93-N97 PolarHBondContact O-ND2 2.94Å; E93-N97 PolarHBondContact O-OD1 3.28Å; L94-N97 PolarHBondContact O-N 3.13Å; N97-A100 PolarHBondContact O-N 2.96Å; N97-G101 PolarHBondContact O-N 2.81Å; N97-V102 PolarHBondContact O-N 2.91Å
98R84.1Confident73.8Confident206 Ų206101.4 Ų101.478%0.77754%0.538SS*.Hα-helixtrans-59.2-49.3169.9-76177.6175.2-169-1.1111.9L94 L95 A100 G101L94-R98 WeakPolarHBondContact O-CB 3.28Å; L94-R98 WeakPolarHBondContact O-CG 3.24Å; L94-R98 PolarHBondContact O-N 3.3Å; L95-R98 PolarHBondContact O-N 2.82Å; R98-A100 PolarHBondContact O-N 2.81Å; R98-G101 PolarHBondContact O-N 3.22Å
99K79.8Confident72.2Confident195 Ų195105.7 Ų105.785%0.84856%0.556SS**Hα-helixtrans-66.6-22.8-179.7-126179.8-176.2-1790113.8L95 R96L95-K99 WeakPolarHBondContact O-CB 3.47Å; L95-K99 PolarHBondContact O-N 3.46Å; R96-K99 PolarHBondContact O-N 2.96Å
100A72.8Confident70.5Confident63 Ų63112.6 Ų112.652%0.52159%0.59SS.*THydrogen-bonded Turntrans-87.6-9.6176.800000113.9R96 N97 R98 V102R96-A100 WeakPolarHBondContact O-CB 3.1Å; R96-A100 PolarHBondContact O-N 3.14Å; N97-A100 PolarHBondContact O-N 2.96Å; R98-A100 PolarHBondContact O-N 2.81Å; A100-V102 HydrophobicContact CB-CB 4.38Å; A100-V102 HydrophobicContact CB-CG2 4.14Å; A100-V102 PolarHBondContact O-N 3.5Å; A100-V102 VanDerWaalsContact O-N 3.12Å
101G64.6Low69.3Low63 Ų63114.3 Ų114.365%0.64959%0.589SS**THydrogen-bonded Turntrans66.93.4-171.900000114.6N97 R98 V103N97-G101 PolarHBondContact O-N 2.81Å; R98-G101 PolarHBondContact O-N 3.22Å; G101-V103 PolarHBondContact O-N 2.74Å
102V58.5Low68.5Low89 Ų89115.2 Ų115.254%0.53960%0.599SS.*  trans-8799.9-174.9176.40000109.4N97 A100 G104N97-V102 PolarHBondContact O-N 2.91Å; A100-V102 HydrophobicContact CB-CB 4.38Å; A100-V102 HydrophobicContact CB-CG2 4.14Å; A100-V102 PolarHBondContact O-N 3.5Å; A100-V102 VanDerWaalsContact O-N 3.12Å; V102-G104 PolarHBondContact O-N 3.48Å
103V57Low67.9Low155 Ų155117.1 Ų117.194%0.93961%0.614SS**  trans-73.656.2164.7-167.90000109.3G101G101-V103 PolarHBondContact O-N 2.74Å
104G47.9Very low67.4Low40 Ų40121.3 Ų121.341%0.41264%0.638SS.*  trans-78.4122.7-177.800000110.6V102V102-G104 PolarHBondContact O-N 3.48Å
105R52.3Low66.9Low237 Ų237118.9 Ų118.989%0.89463%0.625SS**  trans-41.8128.3170.5-165.4-179.4-163.6176.55.6109.7R107R105-R107 PolarHBondContact O-N 2.87Å
106P51.7Low66.6Low122 Ų122117.7 Ų117.779%0.79262%0.624SS**  trans-59.1110.1-170.222.2-33.4000110.3A108P106-A108 PolarHBondContact O-N 3.02Å
107R54.3Low66.8Low210 Ų210113 Ų11379%0.79261%0.613SS**  trans-72.498.3176.3-170.8-176.1-172.5168.23.4107R105 Q109R105-R107 PolarHBondContact O-N 2.87Å; R107-Q109 HydrophobicContact CG-CG 3.96Å; R107-Q109 PolarHBondContact O-N 2.83Å
108A53.4Low67.3Low102 Ų102113.2 Ų113.284%0.84361%0.611SS**  trans-67.167.1174.900000111.2P106P106-A108 PolarHBondContact O-N 3.02Å
109Q59.2Low67.8Low127 Ų127105.9 Ų105.959%0.59358%0.583SS**  trans-64.3135.3158.7-58.6-170.9-112.100106.6R107 Q111R107-Q109 HydrophobicContact CG-CG 3.96Å; R107-Q109 PolarHBondContact O-N 2.83Å; Q109-Q111 VanDerWaalsContact C-N 3.28Å; Q109-Q111 PolarHBondContact O-N 3.22Å
110Q53Low68.5Low202 Ų20298.2 Ų98.294%0.94455%0.55SS*.  trans-64.193.4172.3-70.4171.5-56.400108.2S112Q110-S112 PolarHBondContact O-N 3.25Å
111Q64.4Low69.6Low85 Ų8595.2 Ų95.240%0.39753%0.525SS..  trans-62.3122.3172.4-68-176.4-3.200107.2Y89 E93 Q109Y89-Q111 HydrophobicContact CE1-CG 4.41Å; E93-Q111 PolarHBondContact OE2-NE2 3.25Å; Q109-Q111 VanDerWaalsContact C-N 3.28Å; Q109-Q111 PolarHBondContact O-N 3.22Å
112S73.9Confident71.1Confident56 Ų5692.6 Ų92.639%0.39250%0.496SS..  trans-65.2144.6173.455.60000109.1Q110 N114 L115 S116Q110-S112 PolarHBondContact O-N 3.25Å; S112-N114 PolarHBondContact O-N 3.42Å; S112-N114 VanDerWaalsContact O-N 3.09Å; S112-L115 PolarHBondContact O-N 2.9Å; S112-L115 WeakPolarHBondContact OG-CG 3.32Å; S112-S116 PolarHBondContact O-N 3.06Å
113P73.3Confident73Confident91 Ų9188.3 Ų88.359%0.59147%0.47SS*.Hα-helixtrans-57.5-30.5-17921.7-32.8000111.7L115 S116 A117P113-L115 PolarHBondContact O-N 2.9Å; P113-L115 VanDerWaalsContact O-N 3.15Å; P113-S116 PolarHBondContact O-N 3.48Å; P113-S116 PolarHBondContact O-OG 3.14Å; P113-A117 WeakPolarHBondContact O-CB 3.12Å; P113-A117 PolarHBondContact O-N 3.43Å
114N74.6Confident74.8Confident126 Ų12681.4 Ų81.467%0.67443%0.427SS*.Hα-helixtrans-68.8-5.6175.6-59.36.9000114.3S112 K118S112-N114 PolarHBondContact O-N 3.42Å; S112-N114 VanDerWaalsContact O-N 3.09Å; N114-K118 WeakPolarHBondContact O-CD 3.24Å; N114-K118 WeakPolarHBondContact O-CE 3.49Å; N114-K118 WeakPolarHBondContact O-CG 3.38Å
115L75.3Confident77.2Confident57 Ų5781.9 Ų81.930%0.29842%0.417SS..Hα-helixtrans-103.7-45.6170.3-69.4175.9000111.6S112 P113 A117 K118S112-L115 PolarHBondContact O-N 2.9Å; S112-L115 WeakPolarHBondContact OG-CG 3.32Å; P113-L115 PolarHBondContact O-N 2.9Å; P113-L115 VanDerWaalsContact O-N 3.15Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.07Å; L115-K118 WeakPolarHBondContact O-CB 3.23Å; L115-K118 PolarHBondContact O-N 3.26Å
116S81.2Confident79.2Confident58 Ų5872.8 Ų72.841%0.40639%0.388SS..Hα-helixtrans-67.5-30.9178.255.30000113.1S112 P113 K118S112-S116 PolarHBondContact O-N 3.06Å; P113-S116 PolarHBondContact O-N 3.48Å; P113-S116 PolarHBondContact O-OG 3.14Å; S116-K118 VanDerWaalsContact C-N 3.29Å; S116-K118 PolarHBondContact O-N 3.26Å
117A88.5Confident81.1Confident32 Ų3270 Ų7026%0.26437%0.369SS..THydrogen-bonded Turntrans-71.2-18.1174.800000113.8W42 P113 L115 Y140W42-A117 PolarHBondContact NE1-O 2.85Å; P113-A117 WeakPolarHBondContact O-CB 3.12Å; P113-A117 PolarHBondContact O-N 3.43Å; L115-A117 VanDerWaalsContact C-N 3.32Å; L115-A117 PolarHBondContact O-N 3.07Å; A117-Y140 HydrophobicContact CB-CD1 4.05Å; A117-Y140 HydrophobicContact CB-CG 4.22Å
118K92.6Very high82.9Confident61 Ų6168.1 Ų68.127%0.26537%0.369SS..  trans-68.2155.4-178.1-74.6178.3177.9174.90112.4N114 L115 S116 Y120N114-K118 WeakPolarHBondContact O-CD 3.24Å; N114-K118 WeakPolarHBondContact O-CE 3.49Å; N114-K118 WeakPolarHBondContact O-CG 3.38Å; L115-K118 WeakPolarHBondContact O-CB 3.23Å; L115-K118 PolarHBondContact O-N 3.26Å; S116-K118 VanDerWaalsContact C-N 3.29Å; S116-K118 PolarHBondContact O-N 3.26Å; K118-Y120 HydrophobicContact CB-CE2 4.2Å
119R94.6Very high84.6Confident52 Ų5272.3 Ų72.320%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-118.1160.1163.6-63.3-66.5175.6-91.4-1.7109.8W42 L86 L87 L138W42-R119 HydrophobicContact CD2-CB 4.37Å; W42-R119 HydrophobicContact CD2-CG 3.55Å; W42-R119 VanDerWaalsContact CE2-CG 3.47Å; W42-R119 HydrophobicContact CE3-CG 4.18Å; W42-R119 HydrophobicContact CG-CB 4.08Å; W42-R119 HydrophobicContact CG-CG 3.72Å; W42-R119 HydrophobicContact CZ2-CG 4.06Å; L86-R119 HydrophobicContact CD1-CB 3.84Å; L86-R119 HydrophobicContact CD1-CG 4.46Å; L86-R119 HydrophobicContact CG-CB 4.47Å; L87-R119 CarbonylContact O-C 3.26Å; L87-R119 WeakPolarHBondContact O-CA 3.15Å; R119-L138 PolarHBondContact N-O 2.93Å; R119-L138 PolarHBondContact O-N 3.43Å
120Y95.4Very high86.2Confident35 Ų3570.3 Ų70.314%0.13736%0.362CS..EExtended strand (participates in β ladder)trans-130.2107.2175.3-64-100.4000107.3L87 Y89 L92 K118 L136 P137L87-Y120 PolarHBondContact N-O 3.46Å; L87-Y120 PolarHBondContact O-N 2.89Å; Y89-Y120 HydrophobicContact CD2-CE2 4.28Å; L92-Y120 HydrophobicContact CD1-CD1 3.75Å; L92-Y120 HydrophobicContact CD1-CD2 3.45Å; L92-Y120 VanDerWaalsContact CD1-CD2 3.45Å; L92-Y120 HydrophobicContact CD1-CE1 3.96Å; L92-Y120 HydrophobicContact CD1-CE2 3.7Å; L92-Y120 HydrophobicContact CD1-CG 3.49Å; L92-Y120 VanDerWaalsContact CD1-CG 3.49Å; K118-Y120 HydrophobicContact CB-CE2 4.2Å; Y120-L136 WeakPolarHBondContact CA-O 3.37Å; Y120-P137 HydrophobicContact CD1-CB 3.91Å; Y120-P137 HydrophobicContact CE1-CB 3.75Å
121L96.6Very high88.1Confident0 Ų068 Ų680%034%0.344CS..EExtended strand (participates in β ladder)trans-75.7123.4170.4179.966.3000107.3F13 V31 I33 L71 L84 L86 L136 L138F13-L121 HydrophobicContact CZ-CD1 3.94Å; V31-L121 HydrophobicContact CG1-CD2 3.8Å; I33-L121 HydrophobicContact CD1-CB 4.1Å; I33-L121 HydrophobicContact CD1-CD1 4Å; I33-L121 HydrophobicContact CD1-CD2 4.28Å; I33-L121 HydrophobicContact CD1-CG 4.35Å; L71-L121 HydrophobicContact CD1-CD2 4.35Å; L84-L121 HydrophobicContact CB-CD1 4.19Å; L84-L121 HydrophobicContact CD1-CD1 4.4Å; L84-L121 HydrophobicContact CD2-CD1 4.18Å; L84-L121 HydrophobicContact CD2-CG 4.37Å; L84-L121 HydrophobicContact CG-CD1 4.49Å; L86-L121 HydrophobicContact CD1-CB 4.37Å; L121-L136 HydrophobicContact CB-CB 4.38Å; L121-L136 HydrophobicContact CD2-CD1 4.44Å; L121-L136 PolarHBondContact N-O 2.94Å; L121-L136 WeakPolarHBondContact O-CB 3.43Å; L121-L136 PolarHBondContact O-N 2.98Å; L121-L138 HydrophobicContact CB-CD1 4Å
122I96.3Very high89.6Confident7 Ų764.6 Ų64.64%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-105.5108.5-177.3-45-57.2000108L84 D85 L87 I124 H133 P135L84-I122 WeakPolarHBondContact CA-O 3.29Å; D85-I122 PolarHBondContact N-O 3.15Å; D85-I122 PolarHBondContact O-N 3.23Å; L87-I122 HydrophobicContact CB-CG1 4.49Å; L87-I122 HydrophobicContact CD1-CD1 3.91Å; L87-I122 HydrophobicContact CD1-CG1 3.66Å; L87-I122 HydrophobicContact CG-CD1 4.23Å; L87-I122 HydrophobicContact CG-CG1 3.73Å; I122-I124 HydrophobicContact CB-CG1 4.4Å; I122-I124 HydrophobicContact CG2-CG1 3.84Å; I122-I124 PolarHBondContact O-N 3.03Å; I122-H133 HydrophobicContact CG2-CB 3.78Å; I122-P135 HydrophobicContact CD1-CB 3.75Å
123L96.9Very high90.6Very high0 Ų065.7 Ų65.70%033%0.328CS..EExtended strand (participates in β ladder)trans-75.9111.9164.3178.260.3000107.9F67 M70 L71 A74 V82 L84 Y134F67-L123 HydrophobicContact CD2-CD2 4.14Å; F67-L123 HydrophobicContact CE2-CD2 3.73Å; F67-L123 HydrophobicContact CZ-CB 4.49Å; F67-L123 HydrophobicContact CZ-CD2 3.93Å; M70-L123 HydrophobicContact CB-CD2 4.05Å; M70-L123 HydrophobicContact CE-CD2 4.41Å; L71-L123 HydrophobicContact CB-CD2 4.41Å; L71-L123 HydrophobicContact CD1-CB 3.97Å; L71-L123 HydrophobicContact CD1-CD1 4.24Å; L71-L123 HydrophobicContact CD1-CD2 4.05Å; L71-L123 HydrophobicContact CD1-CG 4.31Å; A74-L123 HydrophobicContact CB-CD1 3.71Å; V82-L123 HydrophobicContact CB-CD1 4.09Å; V82-L123 HydrophobicContact CG1-CD1 4.24Å; L84-L123 HydrophobicContact CD2-CB 4.37Å; L84-L123 HydrophobicContact CD2-CD1 3.95Å; L123-Y134 HydrophobicContact CB-CD2 4.33Å; L123-Y134 HydrophobicContact CD2-CD2 4.35Å; L123-Y134 HydrophobicContact CG-CD2 4.24Å; L123-Y134 PolarHBondContact N-O 3.11Å; L123-Y134 VanDerWaalsContact N-O 3.09Å; L123-Y134 WeakPolarHBondContact O-CD2 3.25Å; L123-Y134 PolarHBondContact O-N 3.36Å
124I96.4Very high91.8Very high9 Ų961.4 Ų61.45%0.04630%0.3CS..EExtended strand (participates in β ladder)trans-97.4116.6177.8-53.3-180000107.2V82 T83 D85 I122 T126 R131 I132V82-I124 WeakPolarHBondContact CA-O 3.28Å; T83-I124 PolarHBondContact N-O 2.91Å; T83-I124 PolarHBondContact O-N 3.14Å; D85-I124 HydrophobicContact CB-CD1 4.1Å; I122-I124 HydrophobicContact CB-CG1 4.4Å; I122-I124 HydrophobicContact CG2-CG1 3.84Å; I122-I124 PolarHBondContact O-N 3.03Å; I124-T126 HydrophobicContact CG2-CG2 4.44Å; I124-R131 HydrophobicContact CG2-CG 3.91Å; I124-I132 CarbonylContact C-O 3.55Å; I124-I132 WeakPolarHBondContact CA-O 3.47Å
125Y96.7Very high92.8Very high50 Ų5057.6 Ų57.620%0.19628%0.282CS..EExtended strand (participates in β ladder)trans-106.4115.4176.4177.6-128.9000109.1M70 S81 V82 V127 R131 I132M70-Y125 HydrophobicContact CE-CD1 4.09Å; M70-Y125 HydrophobicContact CE-CD2 3.42Å; M70-Y125 VanDerWaalsContact CE-CD2 3.42Å; M70-Y125 HydrophobicContact CE-CE2 3.97Å; M70-Y125 HydrophobicContact CE-CG 3.49Å; M70-Y125 VanDerWaalsContact CE-CG 3.49Å; S81-Y125 WeakPolarHBondContact O-CD2 3.35Å; V82-Y125 HydrophobicContact CG1-CD2 3.83Å; Y125-V127 HydrophobicContact CD1-CG2 3.84Å; Y125-V127 HydrophobicContact CD2-CG2 4.4Å; Y125-V127 HydrophobicContact CE1-CG2 3.35Å; Y125-V127 HydrophobicContact CE2-CG2 3.97Å; Y125-V127 HydrophobicContact CG-CG2 4.34Å; Y125-V127 VanDerWaalsContact CZ-CG2 3.42Å; Y125-R131 CarbonylContact O-C 3.52Å; Y125-R131 WeakPolarHBondContact O-CA 3.46Å; Y125-I132 HydrophobicContact CD1-CD1 3.9Å; Y125-I132 PolarHBondContact N-O 3.38Å; Y125-I132 PolarHBondContact O-N 2.99Å
126T95.6Very high93.8Very high46 Ų4654.9 Ų54.928%0.28227%0.268SS..EExtended strand (participates in β ladder)trans-108.8122.1-178.729.40000110.4S81 I124 R131S81-T126 PolarHBondContact O-N 3.43Å; S81-T126 PolarHBondContact O-OG1 3.37Å; I124-T126 HydrophobicContact CG2-CG2 4.44Å; T126-R131 HydrophobicContact CG2-CB 4.2Å; T126-R131 HydrophobicContact CG2-CG 3.68Å
127V91.6Very high94.4Very high65 Ų6553.7 Ų53.739%0.39426%0.259SS..EExtended strand (participates in β ladder)trans-130.7165.9175.4-143.30000108.1Y125 F129 D130Y125-V127 HydrophobicContact CD1-CG2 3.84Å; Y125-V127 HydrophobicContact CD2-CG2 4.4Å; Y125-V127 HydrophobicContact CE1-CG2 3.35Å; Y125-V127 HydrophobicContact CE2-CG2 3.97Å; Y125-V127 HydrophobicContact CG-CG2 4.34Å; Y125-V127 VanDerWaalsContact CZ-CG2 3.42Å; V127-F129 PolarHBondContact O-N 3.15Å; V127-D130 HydrophobicContact CB-CB 4.49Å; V127-D130 HydrophobicContact CG2-CB 4.39Å; V127-D130 PolarHBondContact N-O 3.32Å; V127-D130 PolarHBondContact O-N 3.2Å
128E90.4Very high94.8Very high169 Ų16952.1 Ų52.179%0.7925%0.246SC*.THydrogen-bonded Turntrans-39.1-38.7-173.5-61.8173.5173.800115.9
129F89.5Confident94.9Very high190 Ų19051.9 Ų51.983%0.83325%0.25SS*.THydrogen-bonded Turntrans-125.61.2-177.1-53.2-73.4000114.3V127V127-F129 PolarHBondContact O-N 3.15Å
130D92.6Very high94.8Very high86 Ų8654 Ų5446%0.4626%0.259SS..EExtended strand (participates in β ladder)trans-138.2131.4-164.5-107.7-23.3000111.8V127 I132V127-D130 HydrophobicContact CB-CB 4.49Å; V127-D130 HydrophobicContact CG2-CB 4.39Å; V127-D130 PolarHBondContact N-O 3.32Å; V127-D130 PolarHBondContact O-N 3.2Å; D130-I132 HydrophobicContact CB-CD1 3.82Å
131R94.5Very high94.5Very high152 Ų15257.5 Ų57.557%0.57428%0.276SS*.EExtended strand (participates in β ladder)trans-12686.5172.2-173.4177170.1156.23.8110.9I124 Y125 T126 H133I124-R131 HydrophobicContact CG2-CG 3.91Å; Y125-R131 CarbonylContact O-C 3.52Å; Y125-R131 WeakPolarHBondContact O-CA 3.46Å; T126-R131 HydrophobicContact CG2-CB 4.2Å; T126-R131 HydrophobicContact CG2-CG 3.68Å; R131-H133 PolarHBondContact NE-NE2 3.31Å; R131-H133 PolarHBondContact O-CE1 3.01Å; R131-H133 PolarHBondContact O-ND1 3.05Å
132I95.3Very high94.1Very high14 Ų1458.3 Ų58.37%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-86.1143-178.4-54.9107.9000110N60 I124 Y125 D130 Y134N60-I132 HydrophobicContact CB-CB 4.42Å; N60-I132 HydrophobicContact CB-CD1 3.68Å; N60-I132 HydrophobicContact CB-CG1 3.66Å; N60-I132 HydrophobicContact CB-CG2 4.19Å; N60-I132 WeakPolarHBondContact ND2-CD1 2.81Å; I124-I132 CarbonylContact C-O 3.55Å; I124-I132 WeakPolarHBondContact CA-O 3.47Å; Y125-I132 HydrophobicContact CD1-CD1 3.9Å; Y125-I132 PolarHBondContact N-O 3.38Å; Y125-I132 PolarHBondContact O-N 2.99Å; D130-I132 HydrophobicContact CB-CD1 3.82Å; I132-Y134 HydrophobicContact CB-CE2 4.3Å; I132-Y134 HydrophobicContact CG2-CD1 4.1Å; I132-Y134 HydrophobicContact CG2-CD2 4.39Å; I132-Y134 HydrophobicContact CG2-CE1 3.59Å; I132-Y134 HydrophobicContact CG2-CE2 3.92Å; I132-Y134 HydrophobicContact CG2-CG 4.48Å; I132-Y134 VanDerWaalsContact CG2-CZ 3.5Å
133H95.4Very high93.7Very high80 Ų8063.8 Ų63.837%0.3731%0.308SS..EExtended strand (participates in β ladder)trans-123.2116.6179.8-59.271.9000108T58 I122 R131 P135T58-H133 WeakPolarHBondContact CG2-O 3.47Å; I122-H133 HydrophobicContact CG2-CB 3.78Å; R131-H133 PolarHBondContact NE-NE2 3.31Å; R131-H133 PolarHBondContact O-CE1 3.01Å; R131-H133 PolarHBondContact O-ND1 3.05Å; H133-P135 WeakPolarHBondContact O-CD 3.34Å
134Y96.9Very high93.3Very high0 Ų065.5 Ų65.50%032%0.319CS..EExtended strand (participates in β ladder)trans-104.4102.8178.3-50.8-82000109.7T55 T58 N60 F67 M70 L123 I132 L136T55-Y134 HydrophobicContact CG2-CD1 3.65Å; T55-Y134 HydrophobicContact CG2-CE1 3.61Å; T55-Y134 HydrophobicContact CG2-CG 4.47Å; T58-Y134 HydrophobicContact CG2-CD1 4Å; T58-Y134 VanDerWaalsContact OG1-CD1 3.32Å; T58-Y134 WeakPolarHBondContact OG1-CD1 3.42Å; T58-Y134 WeakPolarHBondContact OG1-CE1 3.5Å; N60-Y134 WeakPolarHBondContact O-CE1 3.4Å; N60-Y134 PolarHBondContact O-OH 2.83Å; N60-Y134 VanDerWaalsContact O-OH 3.06Å; N60-Y134 PolarHBondContact OD1-OH 2.97Å; F67-Y134 HydrophobicContact CE2-CD1 4.42Å; F67-Y134 HydrophobicContact CE2-CD2 4.1Å; F67-Y134 AromaticContact CE2-CG 3.87Å; F67-Y134 HydrophobicContact CE2-CG 3.87Å; M70-Y134 HydrophobicContact CE-CE2 4.41Å; L123-Y134 HydrophobicContact CB-CD2 4.33Å; L123-Y134 HydrophobicContact CD2-CD2 4.35Å; L123-Y134 HydrophobicContact CG-CD2 4.24Å; L123-Y134 PolarHBondContact N-O 3.11Å; L123-Y134 VanDerWaalsContact N-O 3.09Å; L123-Y134 WeakPolarHBondContact O-CD2 3.25Å; L123-Y134 PolarHBondContact O-N 3.36Å; I132-Y134 HydrophobicContact CB-CE2 4.3Å; I132-Y134 HydrophobicContact CG2-CD1 4.1Å; I132-Y134 HydrophobicContact CG2-CD2 4.39Å; I132-Y134 HydrophobicContact CG2-CE1 3.59Å; I132-Y134 HydrophobicContact CG2-CE2 3.92Å; I132-Y134 HydrophobicContact CG2-CG 4.48Å; I132-Y134 VanDerWaalsContact CG2-CZ 3.5Å; Y134-L136 PolarHBondContact O-N 3.4Å
135P95.8Very high93Very high46 Ų4669.4 Ų69.430%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-81.8114.8-177.630.6-34.1000112L54 I122 H133 P137L54-P135 HydrophobicContact CD1-CG 4.3Å; I122-P135 HydrophobicContact CD1-CB 3.75Å; H133-P135 WeakPolarHBondContact O-CD 3.34Å; P135-P137 WeakPolarHBondContact O-CD 3.33Å
136L96.5Very high92.6Very high0 Ų071.3 Ų71.30%036%0.359CS..EExtended strand (participates in β ladder)trans-93108.2171-63.5174.3000109.6V31 F46 I51 L54 F67 L71 Y120 L121 Y134 L138V31-L136 HydrophobicContact CG2-CD1 4.46Å; F46-L136 HydrophobicContact CD2-CD2 4.23Å; F46-L136 HydrophobicContact CE1-CD2 4.37Å; F46-L136 HydrophobicContact CE2-CB 4.08Å; F46-L136 HydrophobicContact CE2-CD1 4.46Å; F46-L136 HydrophobicContact CE2-CD2 4.06Å; F46-L136 HydrophobicContact CE2-CG 4.44Å; F46-L136 HydrophobicContact CG-CD2 4.45Å; F46-L136 HydrophobicContact CZ-CB 3.84Å; F46-L136 HydrophobicContact CZ-CD2 4.13Å; I51-L136 HydrophobicContact CD1-CD2 3.58Å; L54-L136 HydrophobicContact CD2-CD2 3.75Å; F67-L136 HydrophobicContact CE1-CD1 4.09Å; F67-L136 HydrophobicContact CE1-CD2 4.09Å; F67-L136 HydrophobicContact CZ-CD1 4.09Å; F67-L136 HydrophobicContact CZ-CD2 3.94Å; F67-L136 HydrophobicContact CZ-CG 4.21Å; L71-L136 HydrophobicContact CD1-CD1 4.05Å; L71-L136 HydrophobicContact CD2-CD1 4.05Å; Y120-L136 WeakPolarHBondContact CA-O 3.37Å; L121-L136 HydrophobicContact CB-CB 4.38Å; L121-L136 HydrophobicContact CD2-CD1 4.44Å; L121-L136 PolarHBondContact N-O 2.94Å; L121-L136 WeakPolarHBondContact O-CB 3.43Å; L121-L136 PolarHBondContact O-N 2.98Å; Y134-L136 PolarHBondContact O-N 3.4Å; L136-L138 PolarHBondContact O-N 3.22Å
137P95Very high92.3Very high33 Ų3372 Ų7221%0.21437%0.37CS..EExtended strand (participates in β ladder)trans-76.3123.1179.830-33.7000111.3F46 Y50 Y120 P135 P139F46-P137 HydrophobicContact CE1-CG 4.31Å; Y50-P137 WeakPolarHBondContact OH-CD 3.49Å; Y50-P137 WeakPolarHBondContact OH-CG 3.35Å; Y120-P137 HydrophobicContact CD1-CB 3.91Å; Y120-P137 HydrophobicContact CE1-CB 3.75Å; P135-P137 WeakPolarHBondContact O-CD 3.33Å; P137-P139 WeakPolarHBondContact O-CD 3.32Å
138L95.6Very high92.2Very high0 Ų071.3 Ų71.30%037%0.37CS..EExtended strand (participates in β ladder)trans-111108.1-179.2-55177.5000110.7V31 I33 W42 F46 R119 L121 L136V31-L138 HydrophobicContact CB-CD2 4.1Å; V31-L138 HydrophobicContact CG1-CD1 4.35Å; V31-L138 HydrophobicContact CG1-CD2 4.17Å; I33-L138 HydrophobicContact CB-CD1 4.42Å; I33-L138 HydrophobicContact CD1-CD1 3.46Å; I33-L138 VanDerWaalsContact CD1-CD1 3.46Å; I33-L138 HydrophobicContact CG1-CD1 3.75Å; W42-L138 HydrophobicContact CB-CB 3.74Å; W42-L138 HydrophobicContact CB-CD1 4.49Å; F46-L138 HydrophobicContact CE2-CD2 4.03Å; F46-L138 HydrophobicContact CZ-CD2 3.9Å; R119-L138 PolarHBondContact N-O 2.93Å; R119-L138 PolarHBondContact O-N 3.43Å; L121-L138 HydrophobicContact CB-CD1 4Å; L136-L138 PolarHBondContact O-N 3.22Å
139P94.4Very high92.1Very high55 Ų5566.6 Ų66.636%0.35735%0.35SS..  trans-57.1131.2167.4-26.934.8000113.2W42 R43 P137 H141W42-P139 WeakPolarHBondContact CA-O 3.32Å; R43-P139 PolarHBondContact N-O 2.7Å; R43-P139 VanDerWaalsContact N-O 3.08Å; R43-P139 WeakPolarHBondContact O-CD 3.39Å; P137-P139 WeakPolarHBondContact O-CD 3.32Å; P139-H141 PolarHBondContact O-N 3.37Å; P139-H141 PolarHBondContact O-ND1 2.85Å
140Y93.9Very high92.2Very high96 Ų9662.4 Ų62.438%0.37633%0.333SS..EExtended strand (participates in β ladder)trans-62.9125.4169.5179.2-125.2000109.9D40 Q41 W42 A117 G142D40-Y140 HydrophobicContact CB-CE2 3.85Å; D40-Y140 PolarHBondContact OD1-OH 3.01Å; Q41-Y140 WeakPolarHBondContact O-CD2 3.31Å; W42-Y140 VanDerWaalsContact CD1-CA 3.41Å; W42-Y140 AromaticContact CD1-CD2 4Å; W42-Y140 HydrophobicContact CD2-CD2 4.45Å; W42-Y140 AromaticContact CE2-CD2 3.84Å; W42-Y140 HydrophobicContact CZ2-CD2 4.27Å; W42-Y140 AromaticContact NE1-CD2 3.51Å; W42-Y140 AromaticContact NE1-CG 3.93Å; A117-Y140 HydrophobicContact CB-CD1 4.05Å; A117-Y140 HydrophobicContact CB-CG 4.22Å; Y140-G142 WeakPolarHBondContact CE2-O 3.25Å; Y140-G142 VanDerWaalsContact CZ-CA 3.41Å
141H88.3Confident92.2Very high109 Ų10965.9 Ų65.951%0.50534%0.344SS..EExtended strand (participates in β ladder)trans-98.7-11.8-179.5-86.354.4000112.9Q41 R43 P139Q41-H141 PolarHBondContact O-N 3.35Å; R43-H141 PolarHBondContact O-CE1 2.87Å; R43-H141 PolarHBondContact O-ND1 2.82Å; P139-H141 PolarHBondContact O-N 3.37Å; P139-H141 PolarHBondContact O-ND1 2.85Å
142G89.7Confident92.1Very high17 Ų1763.9 Ų63.918%0.17534%0.341CS..EExtended strand (participates in β ladder)trans106.4-155.4-175.900000111.9Q41 Y140Q41-G142 PolarHBondContact N-O 2.85Å; Y140-G142 WeakPolarHBondContact CE2-O 3.25Å; Y140-G142 VanDerWaalsContact CZ-CA 3.41Å
143K87.9Confident91.9Very high122 Ų12267 Ų6753%0.5336%0.358SS..  trans-105.7142.5166.4-59-167.5174.1-166.70108.9T38 A39 D40T38-K143 WeakPolarHBondContact O-CE 3.49Å; T38-K143 PolarHBondContact O-NZ 3.44Å; A39-K143 WeakPolarHBondContact O-CA 3.32Å; D40-K143 WeakPolarHBondContact OD1-CE 3.21Å; D40-K143 WeakPolarHBondContact OD1-CG 3.33Å; D40-K143 IonicContact OD1-NZ 2.82Å
144P87.6Confident91.9Very high36 Ų3670.7 Ų70.723%0.23437%0.368CS..  trans-65.4145.8178.328.4-35000110.7A39 P146 L149A39-P144 WeakPolarHBondContact O-CD 3.43Å; P144-P146 WeakPolarHBondContact O-CD 3.46Å; P144-L149 HydrophobicContact CB-CD1 3.96Å; P144-L149 HydrophobicContact CB-CD2 4.29Å; P144-L149 HydrophobicContact CB-CG 4.06Å; P144-L149 HydrophobicContact CG-CD1 3.68Å; P144-L149 HydrophobicContact CG-CG 4.32Å
145D89.6Confident91.7Very high91 Ų9172.7 Ų72.749%0.48738%0.384SS..  trans-64.9122.5177.4164.334.3000110.5A147 A148 L149D145-A147 PolarHBondContact O-N 3.41Å; D145-A147 WeakPolarHBondContact OD1-CB 3.45Å; D145-A147 PolarHBondContact OD1-N 2.95Å; D145-A147 WeakPolarHBondContact OD2-CB 3.47Å; D145-A148 HydrophobicContact CB-CB 3.95Å; D145-A148 WeakPolarHBondContact O-CB 3.49Å; D145-A148 PolarHBondContact O-N 3.34Å; D145-A148 WeakPolarHBondContact OD2-CB 3.34Å; D145-A148 PolarHBondContact OD2-N 3.33Å; D145-L149 PolarHBondContact O-N 2.99Å
146P87.9Confident91.6Very high90 Ų9074.5 Ų74.558%0.58439%0.391SS*.Hα-helixtrans-62.3-24.317825.7-35.2000113.2P144 Q150P144-P146 WeakPolarHBondContact O-CD 3.46Å; P146-Q150 WeakPolarHBondContact O-CB 3.32Å; P146-Q150 VanDerWaalsContact O-CG 3.25Å; P146-Q150 WeakPolarHBondContact O-CG 3.46Å; P146-Q150 PolarHBondContact O-N 3.37Å
147A90.1Very high91.4Very high62 Ų6280.5 Ų80.551%0.51242%0.417SS..Hα-helixtrans-74.3-41.6174.600000111.8D145 Q150 K151D145-A147 PolarHBondContact O-N 3.41Å; D145-A147 WeakPolarHBondContact OD1-CB 3.45Å; D145-A147 PolarHBondContact OD1-N 2.95Å; D145-A147 WeakPolarHBondContact OD2-CB 3.47Å; A147-Q150 PolarHBondContact O-N 2.91Å; A147-K151 WeakPolarHBondContact O-CB 3.41Å; A147-K151 PolarHBondContact O-N 3.27Å
148A88.9Confident91.3Very high49 Ų4983.4 Ų83.441%0.40543%0.434SS..Hα-helixtrans-58.7-51.217000000111.9D145 Q150 K151 E152D145-A148 HydrophobicContact CB-CB 3.95Å; D145-A148 WeakPolarHBondContact O-CB 3.49Å; D145-A148 PolarHBondContact O-N 3.34Å; D145-A148 WeakPolarHBondContact OD2-CB 3.34Å; D145-A148 PolarHBondContact OD2-N 3.33Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.8Å; A148-K151 WeakPolarHBondContact O-CB 3.43Å; A148-K151 PolarHBondContact O-N 3.49Å; A148-E152 PolarHBondContact O-N 3.39Å
149L88.2Confident91.1Very high70 Ų7088.8 Ų88.837%0.36646%0.46SS..Hα-helixtrans-58.7-42.7176.5-71.9-179.9000112.2P144 D145 K151 E152 I153P144-L149 HydrophobicContact CB-CD1 3.96Å; P144-L149 HydrophobicContact CB-CD2 4.29Å; P144-L149 HydrophobicContact CB-CG 4.06Å; P144-L149 HydrophobicContact CG-CD1 3.68Å; P144-L149 HydrophobicContact CG-CG 4.32Å; D145-L149 PolarHBondContact O-N 2.99Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3Å; L149-E152 PolarHBondContact O-N 3.14Å; L149-I153 WeakPolarHBondContact O-CB 3.47Å; L149-I153 WeakPolarHBondContact O-CD1 3.35Å; L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 3.01Å
150Q91.6Very high90.8Very high102 Ų10291.6 Ų91.648%0.47747%0.471SS..Hα-helixtrans-63.7-33.9175.6-81.4-173.643.300113.1P146 A147 A148 R154P146-Q150 WeakPolarHBondContact O-CB 3.32Å; P146-Q150 VanDerWaalsContact O-CG 3.25Å; P146-Q150 WeakPolarHBondContact O-CG 3.46Å; P146-Q150 PolarHBondContact O-N 3.37Å; A147-Q150 PolarHBondContact O-N 2.91Å; A148-Q150 VanDerWaalsContact C-N 3.34Å; A148-Q150 PolarHBondContact O-N 2.8Å; Q150-R154 WeakPolarHBondContact O-CB 3.37Å; Q150-R154 VanDerWaalsContact O-CD 3.31Å; Q150-R154 WeakPolarHBondContact O-CD 3.33Å; Q150-R154 WeakPolarHBondContact O-CG 3.47Å; Q150-R154 PolarHBondContact O-N 3.28Å; Q150-R154 VanDerWaalsContact O-N 3.15Å; Q150-R154 PolarHBondContact O-NE 2.87Å
151K93.5Very high90.5Very high160 Ų16091.8 Ų91.870%0.69648%0.478SS*.Hα-helixtrans-68.6-43.5175.5-176.9-168173.7-165.50110.8A147 A148 L149 R154 A155A147-K151 WeakPolarHBondContact O-CB 3.41Å; A147-K151 PolarHBondContact O-N 3.27Å; A148-K151 WeakPolarHBondContact O-CB 3.43Å; A148-K151 PolarHBondContact O-N 3.49Å; L149-K151 VanDerWaalsContact C-N 3.29Å; L149-K151 PolarHBondContact O-N 3Å; K151-R154 WeakPolarHBondContact O-CB 3.34Å; K151-R154 PolarHBondContact O-N 3.46Å; K151-A155 PolarHBondContact O-N 3.27Å
152E91.5Very high90.5Very high109 Ų10988.6 Ų88.651%0.50947%0.471SS..Hα-helixtrans-65.8-47.4177.1-177.1170.1-16000112.1A148 L149 R154 A155 L156A148-E152 PolarHBondContact O-N 3.39Å; L149-E152 PolarHBondContact O-N 3.14Å; E152-R154 PolarHBondContact O-N 2.98Å; E152-A155 WeakPolarHBondContact O-CA 3.38Å; E152-A155 WeakPolarHBondContact O-CB 3.32Å; E152-A155 PolarHBondContact O-N 3.35Å; E152-L156 HydrophobicContact CG-CD1 3.94Å; E152-L156 HydrophobicContact CG-CG 4.3Å; E152-L156 WeakPolarHBondContact O-CG 3.45Å; E152-L156 PolarHBondContact O-N 2.95Å
153I91.6Very high90.1Very high80 Ų8093.3 Ų93.341%0.4149%0.492SS..Hα-helixtrans-57-34.8173.8-70.4164.6000111.4L149 K157L149-I153 WeakPolarHBondContact O-CB 3.47Å; L149-I153 WeakPolarHBondContact O-CD1 3.35Å; L149-I153 WeakPolarHBondContact O-CG1 3.28Å; L149-I153 PolarHBondContact O-N 3.01Å; I153-K157 HydrophobicContact CG2-CD 3.99Å; I153-K157 VanDerWaalsContact O-CB 3.25Å; I153-K157 WeakPolarHBondContact O-CB 3.49Å; I153-K157 WeakPolarHBondContact O-CD 3.47Å; I153-K157 WeakPolarHBondContact O-CG 3.49Å; I153-K157 PolarHBondContact O-N 2.95Å; I153-K157 VanDerWaalsContact O-N 3.13Å
154R94.6Very high89.8Confident158 Ų15890.2 Ų90.260%0.59649%0.489SS*.Hα-helixtrans-70.2-43.7173.2-70.6165.9-155.6-1588111.6Q150 K151 E152 K157 T158Q150-R154 WeakPolarHBondContact O-CB 3.37Å; Q150-R154 VanDerWaalsContact O-CD 3.31Å; Q150-R154 WeakPolarHBondContact O-CD 3.33Å; Q150-R154 WeakPolarHBondContact O-CG 3.47Å; Q150-R154 PolarHBondContact O-N 3.28Å; Q150-R154 VanDerWaalsContact O-N 3.15Å; Q150-R154 PolarHBondContact O-NE 2.87Å; K151-R154 WeakPolarHBondContact O-CB 3.34Å; K151-R154 PolarHBondContact O-N 3.46Å; E152-R154 PolarHBondContact O-N 2.98Å; R154-K157 PolarHBondContact O-N 3.11Å; R154-T158 PolarHBondContact O-N 2.87Å; R154-T158 PolarHBondContact O-OG1 2.84Å
155A94.4Very high89.2Confident41 Ų4193.8 Ų93.834%0.33951%0.506SS..Hα-helixtrans-61.5-53.5177.600000111.9K151 E152 K157 T158 E159K151-A155 PolarHBondContact O-N 3.27Å; E152-A155 WeakPolarHBondContact O-CA 3.38Å; E152-A155 WeakPolarHBondContact O-CB 3.32Å; E152-A155 PolarHBondContact O-N 3.35Å; A155-K157 VanDerWaalsContact C-N 3.28Å; A155-K157 PolarHBondContact O-N 3.1Å; A155-T158 WeakPolarHBondContact CA-OG1 3.39Å; A155-T158 CarbonylContact O-C 3.58Å; A155-T158 WeakPolarHBondContact O-CA 3.46Å; A155-T158 PolarHBondContact O-N 3.04Å; A155-T158 PolarHBondContact O-OG1 2.9Å; A155-E159 PolarHBondContact O-N 3.27Å
156L93.1Very high88Confident85 Ų8596.1 Ų96.145%0.44551%0.514SS..Hα-helixtrans-58.5-38.3176.6-66.5173.4000111.8E152 E159 L160E152-L156 HydrophobicContact CG-CD1 3.94Å; E152-L156 HydrophobicContact CG-CG 4.3Å; E152-L156 WeakPolarHBondContact O-CG 3.45Å; E152-L156 PolarHBondContact O-N 2.95Å; L156-E159 PolarHBondContact O-N 3.47Å; L156-L160 WeakPolarHBondContact O-CB 3.4Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 2.89Å
157K92.4Very high86.7Confident126 Ų12694.6 Ų94.655%0.54851%0.509SS..Hα-helixtrans-66.3-37.2172.5-77.5172.6179.5174.90112.8I153 R154 A155 N161I153-K157 HydrophobicContact CG2-CD 3.99Å; I153-K157 VanDerWaalsContact O-CB 3.25Å; I153-K157 WeakPolarHBondContact O-CB 3.49Å; I153-K157 WeakPolarHBondContact O-CD 3.47Å; I153-K157 WeakPolarHBondContact O-CG 3.49Å; I153-K157 PolarHBondContact O-N 2.95Å; I153-K157 VanDerWaalsContact O-N 3.13Å; R154-K157 PolarHBondContact O-N 3.11Å; A155-K157 VanDerWaalsContact C-N 3.28Å; A155-K157 PolarHBondContact O-N 3.1Å; K157-N161 VanDerWaalsContact O-CB 3.28Å; K157-N161 WeakPolarHBondContact O-CB 3.36Å; K157-N161 PolarHBondContact O-N 2.94Å; K157-N161 PolarHBondContact O-ND2 3.04Å; K157-N161 VanDerWaalsContact O-ND2 3.14Å
158T92.3Very high85.1Confident93 Ų9394.2 Ų94.257%0.57151%0.511SS*.Hα-helixtrans-68.9-35.1173.448.20000112.7R154 A155 A162R154-T158 PolarHBondContact O-N 2.87Å; R154-T158 PolarHBondContact O-OG1 2.84Å; A155-T158 WeakPolarHBondContact CA-OG1 3.39Å; A155-T158 CarbonylContact O-C 3.58Å; A155-T158 WeakPolarHBondContact O-CA 3.46Å; A155-T158 PolarHBondContact O-N 3.04Å; A155-T158 PolarHBondContact O-OG1 2.9Å; T158-A162 WeakPolarHBondContact O-CB 3.47Å; T158-A162 PolarHBondContact O-N 2.9Å
159E91.6Very high83.4Confident114 Ų11499.4 Ų99.453%0.53353%0.527SS..Hα-helixtrans-70.7-45.5175.8-71.3176-176.900111.9A155 L156 N161 A162 L163A155-E159 PolarHBondContact O-N 3.27Å; L156-E159 PolarHBondContact O-N 3.47Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 3.01Å; E159-A162 WeakPolarHBondContact O-CB 3.3Å; E159-A162 PolarHBondContact O-N 3.39Å; E159-A162 VanDerWaalsContact O-N 3.14Å; E159-L163 WeakPolarHBondContact O-CB 3.48Å; E159-L163 WeakPolarHBondContact O-CG 3.48Å; E159-L163 PolarHBondContact O-N 2.95Å
160L88.7Confident82Confident113 Ų113101.9 Ų101.959%0.59253%0.534SS*.Hα-helixtrans-59.9-40.9172.9-73.4170.7000111.9L156 L163 A164L156-L160 WeakPolarHBondContact O-CB 3.4Å; L156-L160 VanDerWaalsContact O-CG 3.28Å; L156-L160 WeakPolarHBondContact O-CG 3.25Å; L156-L160 PolarHBondContact O-N 2.89Å; L160-L163 PolarHBondContact O-N 3.17Å; L160-A164 VanDerWaalsContact O-CB 3.24Å; L160-A164 WeakPolarHBondContact O-CB 2.78Å; L160-A164 PolarHBondContact O-N 3.21Å
161N88.1Confident80.2Confident100 Ų100102.2 Ų102.254%0.53555%0.545SS..Hα-helixtrans-66.8-38.6173.9-75.5-25.4000112.2K157 E159 N165K157-N161 VanDerWaalsContact O-CB 3.28Å; K157-N161 WeakPolarHBondContact O-CB 3.36Å; K157-N161 PolarHBondContact O-N 2.94Å; K157-N161 PolarHBondContact O-ND2 3.04Å; K157-N161 VanDerWaalsContact O-ND2 3.14Å; E159-N161 VanDerWaalsContact C-N 3.32Å; E159-N161 PolarHBondContact O-N 3.01Å; N161-N165 WeakPolarHBondContact O-CB 3.11Å; N161-N165 PolarHBondContact O-N 2.72Å; N161-N165 PolarHBondContact O-ND2 3.42Å; N161-N165 VanDerWaalsContact O-ND2 3.15Å
162A87.1Confident78.6Confident43 Ų4397 Ų9736%0.35553%0.533SS..Hα-helixtrans-62.9-48.617400000110.9T158 E159 A164 N165 H166T158-A162 WeakPolarHBondContact O-CB 3.47Å; T158-A162 PolarHBondContact O-N 2.9Å; E159-A162 WeakPolarHBondContact O-CB 3.3Å; E159-A162 PolarHBondContact O-N 3.39Å; E159-A162 VanDerWaalsContact O-N 3.14Å; A162-A164 PolarHBondContact O-N 3.08Å; A162-N165 PolarHBondContact O-N 2.8Å; A162-H166 PolarHBondContact O-N 2.71Å; A162-H166 PolarHBondContact O-ND1 3.01Å
163L82.3Confident77.6Confident116 Ų11695.4 Ų95.461%0.60753%0.525SS*.Hα-helixtrans-62.4-40.8177.2-70.7170.6000112.2E159 L160 H166 A167E159-L163 WeakPolarHBondContact O-CB 3.48Å; E159-L163 WeakPolarHBondContact O-CG 3.48Å; E159-L163 PolarHBondContact O-N 2.95Å; L160-L163 PolarHBondContact O-N 3.17Å; L163-H166 CarbonylContact O-C 3.25Å; L163-H166 PolarHBondContact O-N 2.89Å; L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.17Å
164A80.9Confident76.8Confident57 Ų5795.5 Ų95.547%0.47153%0.531SS..Hα-helixtrans-61.9-43.1173.900000111.7L160 A162 H166 A167 G168L160-A164 VanDerWaalsContact O-CB 3.24Å; L160-A164 WeakPolarHBondContact O-CB 2.78Å; L160-A164 PolarHBondContact O-N 3.21Å; A162-A164 PolarHBondContact O-N 3.08Å; A164-H166 VanDerWaalsContact C-N 3.34Å; A164-H166 PolarHBondContact O-N 3.06Å; A164-A167 PolarHBondContact O-N 3.33Å; A164-G168 PolarHBondContact O-N 2.91Å
165N74.9Confident76Confident110 Ų11092.5 Ų92.559%0.58852%0.523SS*.Hα-helixtrans-64.4-36.3174.5-72.1-27.7000112.2N161 A162 H169N161-N165 WeakPolarHBondContact O-CB 3.11Å; N161-N165 PolarHBondContact O-N 2.72Å; N161-N165 PolarHBondContact O-ND2 3.42Å; N161-N165 VanDerWaalsContact O-ND2 3.15Å; A162-N165 PolarHBondContact O-N 2.8Å; N165-H169 WeakPolarHBondContact O-CB 3.44Å; N165-H169 PolarHBondContact O-N 2.96Å
166H63.7Low75.3Confident141 Ų14193.9 Ų93.965%0.65353%0.525SS*.Hα-helixtrans-72-32.9174.1-7361.8000112.4A162 L163 A164 H169A162-H166 PolarHBondContact O-N 2.71Å; A162-H166 PolarHBondContact O-ND1 3.01Å; L163-H166 CarbonylContact O-C 3.25Å; L163-H166 PolarHBondContact O-N 2.89Å; A164-H166 VanDerWaalsContact C-N 3.34Å; A164-H166 PolarHBondContact O-N 3.06Å; H166-H169 CarbonylContact O-C 3.52Å; H166-H169 VanDerWaalsContact O-C 3.25Å
167A60.7Low74.9Confident58 Ų5897.7 Ų97.748%0.47953%0.533SS..Hα-helixtrans-70.9-37.5175.100000112.3L163 A164L163-A167 WeakPolarHBondContact O-CB 3.49Å; L163-A167 PolarHBondContact O-N 3.17Å; A164-A167 PolarHBondContact O-N 3.33Å
168G57.4Low74.8Confident54 Ų5498.5 Ų98.556%0.55753%0.533SS*.Hα-helixtrans-70-41171.200000112.6A164 K170A164-G168 PolarHBondContact O-N 2.91Å; G168-K170 PolarHBondContact O-N 2.95Å; G168-K170 VanDerWaalsContact O-N 3.08Å
169H52.2Low74.6Confident158 Ų15897.8 Ų97.873%0.73153%0.525SS*.THydrogen-bonded Turntrans-83.555.8169.1-86.7-80000112.9N165 H166 P171N165-H169 WeakPolarHBondContact O-CB 3.44Å; N165-H169 PolarHBondContact O-N 2.96Å; H166-H169 CarbonylContact O-C 3.52Å; H166-H169 VanDerWaalsContact O-C 3.25Å; H169-P171 WeakPolarHBondContact O-CD 3.49Å
170K58.6Low74.5Confident121 Ų121100.8 Ų100.853%0.52653%0.531SS..  trans-68.1108146.1-74.1170.1-174.51670106.7G168 A172 E173 P174G168-K170 PolarHBondContact O-N 2.95Å; G168-K170 VanDerWaalsContact O-N 3.08Å; K170-A172 PolarHBondContact O-N 2.88Å; K170-A172 VanDerWaalsContact O-N 3.11Å; K170-E173 HydrophobicContact CB-CB 4.15Å; K170-E173 PolarHBondContact O-N 2.89Å; K170-P174 VanDerWaalsContact O-CD 3.29Å; K170-P174 WeakPolarHBondContact O-CD 3.32Å
171P54.4Low74.6Confident109 Ų10998 Ų9871%0.70852%0.524SS*.THydrogen-bonded Turntrans-61.3-24175.227.8-35.8000111.2H169 E173 P174H169-P171 WeakPolarHBondContact O-CD 3.49Å; P171-E173 VanDerWaalsContact C-N 3.31Å; P171-E173 PolarHBondContact O-N 3.47Å; P171-P174 WeakPolarHBondContact O-CD 3.28Å
172A60.8Low74.7Confident52 Ų5296.9 Ų96.943%0.4352%0.516SS..Hα-helixtrans-64.2-2517100000114.1K170 I176K170-A172 PolarHBondContact O-N 2.88Å; K170-A172 VanDerWaalsContact O-N 3.11Å; A172-I176 HydrophobicContact CB-CD1 4.11Å; A172-I176 WeakPolarHBondContact O-CA 3.21Å; A172-I176 WeakPolarHBondContact O-CB 3.29Å; A172-I176 VanDerWaalsContact O-CD1 3.29Å; A172-I176 WeakPolarHBondContact O-CD1 3.47Å; A172-I176 WeakPolarHBondContact O-CG1 3.49Å; A172-I176 PolarHBondContact O-N 2.91Å
173E69.4Low74.9Confident74 Ų7499.7 Ų99.735%0.34652%0.524SS..Hα-helixtrans-73.4-50.3-175.4-164.8172.4150.100114.9K170 P171 E175 I176 R177K170-E173 HydrophobicContact CB-CB 4.15Å; K170-E173 PolarHBondContact O-N 2.89Å; P171-E173 VanDerWaalsContact C-N 3.31Å; P171-E173 PolarHBondContact O-N 3.47Å; E173-E175 PolarHBondContact O-N 3.47Å; E173-I176 PolarHBondContact O-N 2.86Å; E173-R177 VanDerWaalsContact O-CG 3.31Å; E173-R177 WeakPolarHBondContact O-CG 3.29Å; E173-R177 PolarHBondContact O-N 3.09Å; E173-R177 IonicContact OE1-CZ 2.64Å; E173-R177 IonicContact OE1-NE 2.68Å; E173-R177 PolarHBondContact OE1-NE 3Å; E173-R177 IonicContact OE1-NH2 3.38Å; E173-R177 PolarHBondContact OE1-NH2 3.26Å
174P75.1Confident75.4Confident83 Ų8396.2 Ų96.254%0.53951%0.512SS..Hα-helixtrans-63-34.7173.225.7-33.3000111.4K170 P171 R177 R178K170-P174 VanDerWaalsContact O-CD 3.29Å; K170-P174 WeakPolarHBondContact O-CD 3.32Å; P171-P174 WeakPolarHBondContact O-CD 3.28Å; P174-R177 PolarHBondContact O-N 3.12Å; P174-R178 WeakPolarHBondContact O-CB 3.25Å; P174-R178 PolarHBondContact O-N 3.15Å
175E79.1Confident76.1Confident94 Ų9498.6 Ų98.644%0.43952%0.517SS..Hα-helixtrans-68.5-39.8175.9-166.769.8172.100111.9E173 R178 L179E173-E175 PolarHBondContact O-N 3.47Å; E175-R178 PolarHBondContact O-N 2.95Å; E175-L179 HydrophobicContact CG-CD1 3.99Å; E175-L179 HydrophobicContact CG-CG 4.38Å; E175-L179 VanDerWaalsContact O-CB 3.28Å; E175-L179 WeakPolarHBondContact O-CB 3.28Å; E175-L179 VanDerWaalsContact O-CG 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.31Å; E175-L179 PolarHBondContact O-N 2.87Å
176I79.1Confident77Confident71 Ų7197.5 Ų97.536%0.36451%0.514SS..Hα-helixtrans-64.6-39.6172.4-77.6164.3000110.7A172 E173 R180A172-I176 HydrophobicContact CB-CD1 4.11Å; A172-I176 WeakPolarHBondContact O-CA 3.21Å; A172-I176 WeakPolarHBondContact O-CB 3.29Å; A172-I176 VanDerWaalsContact O-CD1 3.29Å; A172-I176 WeakPolarHBondContact O-CD1 3.47Å; A172-I176 WeakPolarHBondContact O-CG1 3.49Å; A172-I176 PolarHBondContact O-N 2.91Å; E173-I176 PolarHBondContact O-N 2.86Å; I176-R180 HydrophobicContact CG2-CG 4.39Å; I176-R180 VanDerWaalsContact CG2-CZ 3.42Å; I176-R180 VanDerWaalsContact O-CB 3.25Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; I176-R180 WeakPolarHBondContact O-CD 3.35Å; I176-R180 WeakPolarHBondContact O-CG 3.5Å; I176-R180 PolarHBondContact O-N 3.45Å
177R84.9Confident78.4Confident164 Ų16498.9 Ų98.962%0.61951%0.513SS*.Hα-helixtrans-62.9-44.5174.7-70171.8-174.2-147.85.9110.7E173 P174 R180 A181E173-R177 VanDerWaalsContact O-CG 3.31Å; E173-R177 WeakPolarHBondContact O-CG 3.29Å; E173-R177 PolarHBondContact O-N 3.09Å; E173-R177 IonicContact OE1-CZ 2.64Å; E173-R177 IonicContact OE1-NE 2.68Å; E173-R177 PolarHBondContact OE1-NE 3Å; E173-R177 IonicContact OE1-NH2 3.38Å; E173-R177 PolarHBondContact OE1-NH2 3.26Å; P174-R177 PolarHBondContact O-N 3.12Å; R177-R180 PolarHBondContact O-N 3.41Å; R177-A181 PolarHBondContact O-N 3.18Å; R177-A181 VanDerWaalsContact O-N 3.16Å
178R89.3Confident80Confident144 Ų144101 Ų10154%0.54352%0.516SS..Hα-helixtrans-61.9-54.5175.1-179.9-175.7173.4162.24.2112.3P174 E175 R180 A181 E182P174-R178 WeakPolarHBondContact O-CB 3.25Å; P174-R178 PolarHBondContact O-N 3.15Å; E175-R178 PolarHBondContact O-N 2.95Å; R178-R180 PolarHBondContact O-N 3Å; R178-A181 WeakPolarHBondContact O-CA 3.32Å; R178-A181 WeakPolarHBondContact O-CB 3.45Å; R178-A181 PolarHBondContact O-N 2.87Å; R178-E182 IonicContact CZ-OE1 2.86Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 3.7Å; R178-E182 PolarHBondContact NE-OE1 2.68Å; R178-E182 IonicContact NE-OE2 3.26Å; R178-E182 IonicContact NH2-OE1 3.94Å; R178-E182 PolarHBondContact NH2-OE1 2.97Å; R178-E182 PolarHBondContact O-N 3.04Å
179L87.8Confident81.7Confident78 Ų78104.2 Ų104.241%0.40852%0.517SS..Hα-helixtrans-60.9-32.1179.7-72.3171.2000111.9E175 L183E175-L179 HydrophobicContact CG-CD1 3.99Å; E175-L179 HydrophobicContact CG-CG 4.38Å; E175-L179 VanDerWaalsContact O-CB 3.28Å; E175-L179 WeakPolarHBondContact O-CB 3.28Å; E175-L179 VanDerWaalsContact O-CG 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.31Å; E175-L179 PolarHBondContact O-N 2.87Å; L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.47Å
180R89.3Confident83.5Confident176 Ų176103.5 Ų103.566%0.66451%0.512SS*.Hα-helixtrans-67-37.4171.4-77.9169.7-179.8174.42.5112.8I176 R177 R178 A184I176-R180 HydrophobicContact CG2-CG 4.39Å; I176-R180 VanDerWaalsContact CG2-CZ 3.42Å; I176-R180 VanDerWaalsContact O-CB 3.25Å; I176-R180 WeakPolarHBondContact O-CB 3.42Å; I176-R180 WeakPolarHBondContact O-CD 3.35Å; I176-R180 WeakPolarHBondContact O-CG 3.5Å; I176-R180 PolarHBondContact O-N 3.45Å; R177-R180 PolarHBondContact O-N 3.41Å; R178-R180 PolarHBondContact O-N 3Å; R180-A184 PolarHBondContact O-N 3.25Å
181A91.8Very high85.1Confident54 Ų54102.4 Ų102.445%0.44651%0.509SS..Hα-helixtrans-71-44175.100000111.7R177 R178 L183 A184 L185R177-A181 PolarHBondContact O-N 3.18Å; R177-A181 VanDerWaalsContact O-N 3.16Å; R178-A181 WeakPolarHBondContact O-CA 3.32Å; R178-A181 WeakPolarHBondContact O-CB 3.45Å; R178-A181 PolarHBondContact O-N 2.87Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 2.99Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.47Å; A181-A184 VanDerWaalsContact O-N 3.08Å; A181-L185 PolarHBondContact O-N 3.02Å; A181-L185 VanDerWaalsContact O-N 3.07Å
182E90.9Very high86.9Confident78 Ų78100 Ų10036%0.36450%0.498SS..Hα-helixtrans-62.4-39.4174.4-68.7177.2175.600111.2R178 A184 L185 V186R178-E182 IonicContact CZ-OE1 2.86Å; R178-E182 VanDerWaalsContact CZ-OE1 3.24Å; R178-E182 IonicContact NE-OE1 3.7Å; R178-E182 PolarHBondContact NE-OE1 2.68Å; R178-E182 IonicContact NE-OE2 3.26Å; R178-E182 IonicContact NH2-OE1 3.94Å; R178-E182 PolarHBondContact NH2-OE1 2.97Å; R178-E182 PolarHBondContact O-N 3.04Å; E182-A184 VanDerWaalsContact C-N 3.31Å; E182-A184 PolarHBondContact O-N 3.24Å; E182-L185 PolarHBondContact O-N 3.05Å; E182-V186 WeakPolarHBondContact O-CB 3.5Å; E182-V186 WeakPolarHBondContact O-CG2 3.41Å; E182-V186 PolarHBondContact O-N 2.7Å
183L90.9Very high88.2Confident101 Ų101103 Ų10353%0.52951%0.506SS..Hα-helixtrans-68.1-22.6172.3-78170000114.4L179 A181 R187L179-L183 WeakPolarHBondContact O-CB 3.39Å; L179-L183 WeakPolarHBondContact O-CD1 3.43Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.47Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 2.99Å; L183-R187 VanDerWaalsContact O-CD 3.28Å; L183-R187 WeakPolarHBondContact O-CD 3.39Å; L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 2.94Å
184A93.1Very high89.2Confident43 Ų43102.1 Ų102.136%0.35551%0.506SS..Hα-helixtrans-74.8-52.2172.700000110R180 A181 E182 V186 R187 D188R180-A184 PolarHBondContact O-N 3.25Å; A181-A184 WeakPolarHBondContact O-CB 3.43Å; A181-A184 PolarHBondContact O-N 3.47Å; A181-A184 VanDerWaalsContact O-N 3.08Å; E182-A184 VanDerWaalsContact C-N 3.31Å; E182-A184 PolarHBondContact O-N 3.24Å; A184-V186 VanDerWaalsContact C-N 3.33Å; A184-V186 PolarHBondContact O-N 2.93Å; A184-R187 WeakPolarHBondContact O-CA 3.47Å; A184-R187 WeakPolarHBondContact O-CB 3.47Å; A184-R187 PolarHBondContact O-N 2.91Å; A184-D188 PolarHBondContact O-N 3.12Å
185L95.6Very high89.9Confident108 Ų108102.6 Ų102.657%0.56550%0.5SS*.Hα-helixtrans-55.7-45.5177.7-65.9171.7000112.2A181 E182 R187 D188 E189A181-L185 PolarHBondContact O-N 3.02Å; A181-L185 VanDerWaalsContact O-N 3.07Å; E182-L185 PolarHBondContact O-N 3.05Å; L185-R187 PolarHBondContact O-N 3.45Å; L185-D188 PolarHBondContact O-N 3.39Å; L185-E189 WeakPolarHBondContact O-CB 3.47Å; L185-E189 WeakPolarHBondContact O-CG 3.32Å; L185-E189 PolarHBondContact O-N 2.87Å
186V93.8Very high90.3Very high86 Ų86100 Ų10052%0.52149%0.494SS..Hα-helixtrans-66.7-24177.8172.20000112.7E182 A184 K190E182-V186 WeakPolarHBondContact O-CB 3.5Å; E182-V186 WeakPolarHBondContact O-CG2 3.41Å; E182-V186 PolarHBondContact O-N 2.7Å; A184-V186 VanDerWaalsContact C-N 3.33Å; A184-V186 PolarHBondContact O-N 2.93Å; V186-K190 VanDerWaalsContact O-CB 3.24Å; V186-K190 WeakPolarHBondContact O-CB 3.26Å; V186-K190 PolarHBondContact O-N 3.29Å; V186-K190 VanDerWaalsContact O-N 3.13Å
187R92.3Very high90.4Very high171 Ų171101.7 Ų101.765%0.64550%0.503SS*.Hα-helixtrans-76.1-44.1171-75.9168.4-179.8-165.6-1.4111.4L183 A184 L185 K190 E191L183-R187 VanDerWaalsContact O-CD 3.28Å; L183-R187 WeakPolarHBondContact O-CD 3.39Å; L183-R187 WeakPolarHBondContact O-CG 3.48Å; L183-R187 PolarHBondContact O-N 2.94Å; A184-R187 WeakPolarHBondContact O-CA 3.47Å; A184-R187 WeakPolarHBondContact O-CB 3.47Å; A184-R187 PolarHBondContact O-N 2.91Å; L185-R187 PolarHBondContact O-N 3.45Å; R187-K190 WeakPolarHBondContact O-CB 3.37Å; R187-K190 PolarHBondContact O-N 3.16Å; R187-E191 PolarHBondContact O-N 2.88Å
188D93.7Very high90.2Very high101 Ų10198.7 Ų98.754%0.5450%0.496SS..Hα-helixtrans-63.6-42.9178.7-61.2-23.5000110.9A184 L185 E191 A192A184-D188 PolarHBondContact O-N 3.12Å; L185-D188 PolarHBondContact O-N 3.39Å; D188-E191 PolarHBondContact O-N 2.82Å; D188-A192 WeakPolarHBondContact O-CB 3.42Å; D188-A192 PolarHBondContact O-N 2.94Å
189E93Very high89.9Confident123 Ų123100.6 Ų100.658%0.57550%0.503SS*.Hα-helixtrans-60.3-46171.1-74.3179.6173.500111.9L185 E191 A192 L193L185-E189 WeakPolarHBondContact O-CB 3.47Å; L185-E189 WeakPolarHBondContact O-CG 3.32Å; L185-E189 PolarHBondContact O-N 2.87Å; E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.82Å; E189-A192 PolarHBondContact O-N 2.92Å; E189-L193 WeakPolarHBondContact O-CB 3.36Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.49Å; E189-L193 PolarHBondContact O-N 2.97Å
190K90.4Very high89.4Confident142 Ų142102.4 Ų102.462%0.61751%0.513SS*.Hα-helixtrans-60.4-44.3176.4-177.2-170.6174.4-168.80111.3V186 R187 L193 T194V186-K190 VanDerWaalsContact O-CB 3.24Å; V186-K190 WeakPolarHBondContact O-CB 3.26Å; V186-K190 PolarHBondContact O-N 3.29Å; V186-K190 VanDerWaalsContact O-N 3.13Å; R187-K190 WeakPolarHBondContact O-CB 3.37Å; R187-K190 PolarHBondContact O-N 3.16Å; K190-L193 PolarHBondContact O-N 2.78Å; K190-T194 WeakPolarHBondContact O-CG2 3.37Å; K190-T194 PolarHBondContact O-N 2.84Å; K190-T194 PolarHBondContact O-OG1 2.86Å
191E92.9Very high88.5Confident99 Ų99101.1 Ų101.146%0.46351%0.514SS..Hα-helixtrans-66.5-37.5177.7-81.7-162.4-150.800112.7R187 D188 E189 L193 T194 K195R187-E191 PolarHBondContact O-N 2.88Å; D188-E191 PolarHBondContact O-N 2.82Å; E189-E191 VanDerWaalsContact C-N 3.34Å; E189-E191 PolarHBondContact O-N 2.82Å; E191-L193 VanDerWaalsContact C-N 3.32Å; E191-T194 PolarHBondContact O-OG1 2.87Å; E191-T194 VanDerWaalsContact O-OG1 3.11Å; E191-K195 WeakPolarHBondContact O-CB 3.17Å; E191-K195 VanDerWaalsContact O-CD 3.22Å; E191-K195 WeakPolarHBondContact O-CD 3.37Å; E191-K195 WeakPolarHBondContact O-CG 3.22Å; E191-K195 PolarHBondContact O-N 2.67Å; E191-K195 IonicContact OE2-NZ 2.67Å; E191-K195 PolarHBondContact OE2-NZ 2.81Å
192A92.3Very high87.2Confident59 Ų59105 Ų10549%0.48853%0.526SS..Hα-helixtrans-63-41.2172.400000111.1D188 E189 A196D188-A192 WeakPolarHBondContact O-CB 3.42Å; D188-A192 PolarHBondContact O-N 2.94Å; E189-A192 PolarHBondContact O-N 2.92Å; A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 2.95Å
193L88.1Confident85.8Confident115 Ų115106 Ų10660%0.60254%0.537SS*.Hα-helixtrans-69.8-37.6177.1-72168.5000113.1E189 K190 E191 A196 L197E189-L193 WeakPolarHBondContact O-CB 3.36Å; E189-L193 VanDerWaalsContact O-CG 3.3Å; E189-L193 WeakPolarHBondContact O-CG 3.49Å; E189-L193 PolarHBondContact O-N 2.97Å; K190-L193 PolarHBondContact O-N 2.78Å; E191-L193 VanDerWaalsContact C-N 3.32Å; L193-A196 PolarHBondContact O-N 2.91Å; L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.09Å
194T89.7Confident83.9Confident54 Ų54103.8 Ų103.833%0.33154%0.539SS..Hα-helixtrans-67-44.5172.956.60000111.1K190 E191 A196 L197 E198K190-T194 WeakPolarHBondContact O-CG2 3.37Å; K190-T194 PolarHBondContact O-N 2.84Å; K190-T194 PolarHBondContact O-OG1 2.86Å; E191-T194 PolarHBondContact O-OG1 2.87Å; E191-T194 VanDerWaalsContact O-OG1 3.11Å; T194-A196 PolarHBondContact O-N 2.61Å; T194-L197 PolarHBondContact O-N 3.2Å; T194-L197 VanDerWaalsContact O-N 3.1Å; T194-E198 WeakPolarHBondContact O-CB 3.33Å; T194-E198 VanDerWaalsContact O-CG 3.29Å; T194-E198 WeakPolarHBondContact O-CG 3.16Å; T194-E198 PolarHBondContact O-N 2.86Å
195K89.8Confident81.8Confident94 Ų94106.2 Ų106.241%0.40956%0.559SS.*Hα-helixtrans-62.3-31.5175.3-67.6161-162.8165.70112E191 R199E191-K195 WeakPolarHBondContact O-CB 3.17Å; E191-K195 VanDerWaalsContact O-CD 3.22Å; E191-K195 WeakPolarHBondContact O-CD 3.37Å; E191-K195 WeakPolarHBondContact O-CG 3.22Å; E191-K195 PolarHBondContact O-N 2.67Å; E191-K195 IonicContact OE2-NZ 2.67Å; E191-K195 PolarHBondContact OE2-NZ 2.81Å; K195-R199 WeakPolarHBondContact O-CD 3.34Å; K195-R199 WeakPolarHBondContact O-CG 3.17Å; K195-R199 PolarHBondContact O-N 3.21Å
196A86.9Confident79.7Confident39 Ų39103.9 Ų103.932%0.32256%0.561SS.*Hα-helixtrans-72.7-41.4172.100000112.5A192 L193 T194 R199 L200A192-A196 VanDerWaalsContact O-CB 3.3Å; A192-A196 WeakPolarHBondContact O-CB 3.43Å; A192-A196 PolarHBondContact O-N 2.95Å; L193-A196 PolarHBondContact O-N 2.91Å; T194-A196 PolarHBondContact O-N 2.61Å; A196-R199 PolarHBondContact O-N 3.42Å; A196-L200 WeakPolarHBondContact O-CB 3.34Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.42Å; A196-L200 PolarHBondContact O-N 2.96Å
197L81.3Confident77.8Confident106 Ų106105.1 Ų105.156%0.55557%0.574SS**Hα-helixtrans-66.6-39.1175.8-76168.3000112.3L193 T194 L200 Q201L193-L197 WeakPolarHBondContact O-CB 3.46Å; L193-L197 WeakPolarHBondContact O-CG 3.42Å; L193-L197 PolarHBondContact O-N 3.09Å; T194-L197 PolarHBondContact O-N 3.2Å; T194-L197 VanDerWaalsContact O-N 3.1Å; L197-L200 CarbonylContact O-C 3.48Å; L197-L200 PolarHBondContact O-N 3.4Å; L197-Q201 WeakPolarHBondContact O-CG 3.39Å; L197-Q201 PolarHBondContact O-N 2.76Å
198E82.1Confident75.9Confident101 Ų101103.1 Ų103.147%0.47258%0.581SS.*Hα-helixtrans-59.5-48.4173-73.1158.9-167.900110.7T194 L200 Q201 I202T194-E198 WeakPolarHBondContact O-CB 3.33Å; T194-E198 VanDerWaalsContact O-CG 3.29Å; T194-E198 WeakPolarHBondContact O-CG 3.16Å; T194-E198 PolarHBondContact O-N 2.86Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 2.71Å; E198-Q201 PolarHBondContact O-N 2.81Å; E198-I202 WeakPolarHBondContact O-CD1 3.01Å; E198-I202 VanDerWaalsContact O-CG1 3.29Å; E198-I202 WeakPolarHBondContact O-CG1 3.41Å; E198-I202 PolarHBondContact O-N 2.9Å
199R82.4Confident73.8Confident185 Ų185104.9 Ų104.970%0.69860%0.597SS**Hα-helixtrans-58.9-41.9173-70.8167-176.4-173.60.1112.1K195 A196 I202 V203K195-R199 WeakPolarHBondContact O-CD 3.34Å; K195-R199 WeakPolarHBondContact O-CG 3.17Å; K195-R199 PolarHBondContact O-N 3.21Å; A196-R199 PolarHBondContact O-N 3.42Å; R199-I202 PolarHBondContact O-N 3.23Å; R199-V203 WeakPolarHBondContact O-CG2 3.32Å; R199-V203 PolarHBondContact O-N 3.17Å
200L77.2Confident71.8Confident115 Ų115102.1 Ų102.160%0.60260%0.602SS**Hα-helixtrans-74-21.4178.1-72.9171.5000113.7A196 L197 E198 G204A196-L200 WeakPolarHBondContact O-CB 3.34Å; A196-L200 VanDerWaalsContact O-CG 3.31Å; A196-L200 WeakPolarHBondContact O-CG 3.42Å; A196-L200 PolarHBondContact O-N 2.96Å; L197-L200 CarbonylContact O-C 3.48Å; L197-L200 PolarHBondContact O-N 3.4Å; E198-L200 VanDerWaalsContact C-N 3.32Å; E198-L200 PolarHBondContact O-N 2.71Å; L200-G204 WeakPolarHBondContact O-CA 3.35Å; L200-G204 PolarHBondContact O-N 3.03Å
201Q71.4Confident70.1Confident149 Ų14998.3 Ų98.370%0.69660%0.603SS**Hα-helixtrans-75.8-42.7168.4-78.2-179-38.700111L197 E198 V203 G204 A205L197-Q201 WeakPolarHBondContact O-CG 3.39Å; L197-Q201 PolarHBondContact O-N 2.76Å; E198-Q201 PolarHBondContact O-N 2.81Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 2.83Å; Q201-G204 PolarHBondContact O-N 2.97Å; Q201-A205 PolarHBondContact O-N 3.33Å
202I64.1Low68.5Low137 Ų13796.1 Ų96.170%0.70361%0.607SS**Hα-helixtrans-61.4-42176-67.2162.5000111E198 R199E198-I202 WeakPolarHBondContact O-CD1 3.01Å; E198-I202 VanDerWaalsContact O-CG1 3.29Å; E198-I202 WeakPolarHBondContact O-CG1 3.41Å; E198-I202 PolarHBondContact O-N 2.9Å; R199-I202 PolarHBondContact O-N 3.23Å
203V60.1Low67Low98 Ų9895.6 Ų95.659%0.59460%0.603SS**Hα-helixtrans-80.5-36.2176.1175.40000112.2R199 Q201 A205 G206R199-V203 WeakPolarHBondContact O-CG2 3.32Å; R199-V203 PolarHBondContact O-N 3.17Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 2.83Å; V203-A205 PolarHBondContact O-N 3.2Å; V203-G206 PolarHBondContact O-N 2.91Å; V203-G206 VanDerWaalsContact O-N 3.13Å
204G51.3Low66.1Low55 Ų5598.2 Ų98.257%0.56761%0.605SS**Hα-helixtrans-68.7-12.9-178.200000114.7L200 Q201 G206L200-G204 WeakPolarHBondContact O-CA 3.35Å; L200-G204 PolarHBondContact O-N 3.03Å; Q201-G204 PolarHBondContact O-N 2.97Å; G204-G206 PolarHBondContact O-N 3.33Å
205A49.5Very low65.5Low93 Ų9397.4 Ų97.477%0.76961%0.608SS**THydrogen-bonded Turntrans-63.8-10.616800000113.7Q201 V203Q201-A205 PolarHBondContact O-N 3.33Å; V203-A205 PolarHBondContact O-N 3.2Å
206G52.4Low64.9Low60 Ų6098.6 Ų98.662%0.61962%0.618SS**THydrogen-bonded Turntrans-153.668.9-179.600000115.6V203 G204V203-G206 PolarHBondContact O-N 2.91Å; V203-G206 VanDerWaalsContact O-N 3.13Å; G204-G206 PolarHBondContact O-N 3.33Å
207S53.5Low64.7Low112 Ų112104.5 Ų104.578%0.78363%0.631SS**  trans-159.5161.1161-88.90000114
208T51.1Low65.1Low129 Ų129103.7 Ų103.779%0.79163%0.625SS**  trans-88154.9-158.548.20000115.8G210T208-G210 VanDerWaalsContact C-N 3.3Å; T208-G210 PolarHBondContact O-N 3.26Å
209P50Low65.3Low137 Ų137103 Ų10389%0.8963%0.627SS**SBendtrans-84.628-161.135.3-39.2000116
210G50.9Low65.5Low66 Ų6697.7 Ų97.768%0.6862%0.616SS**SBendtrans-90.6-55-171.300000116.2T208T208-G210 VanDerWaalsContact C-N 3.3Å; T208-G210 PolarHBondContact O-N 3.26Å
211G54.8Low66.2Low61 Ų6199.8 Ų99.863%0.62962%0.615SS**SBendtrans-86-40.4-161.500000116.4A213 R214G211-A213 VanDerWaalsContact C-N 3.25Å; G211-A213 PolarHBondContact O-N 2.93Å; G211-A213 VanDerWaalsContact O-N 3.12Å; G211-R214 PolarHBondContact O-N 3.28Å
212G59.2Low67.2Low53 Ų5395.2 Ų95.255%0.54660%0.6SS.*Hα-helixtrans-60.8-29.5-166.100000115R214 G215 L216G212-R214 PolarHBondContact O-N 2.96Å; G212-R214 VanDerWaalsContact O-N 3.17Å; G212-G215 PolarHBondContact O-N 3.3Å; G212-L216 WeakPolarHBondContact O-CG 3.38Å; G212-L216 PolarHBondContact O-N 2.75Å
213A60.7Low68.5Low49 Ų4993.5 Ų93.541%0.40559%0.591SS.*Hα-helixtrans-61.7-25.8-176.900000114G211 R217G211-A213 VanDerWaalsContact C-N 3.25Å; G211-A213 PolarHBondContact O-N 2.93Å; G211-A213 VanDerWaalsContact O-N 3.12Å; A213-R217 WeakPolarHBondContact O-CG 3.43Å; A213-R217 PolarHBondContact O-NE 3.38Å; A213-R217 PolarHBondContact O-NH1 3Å
214R70.2Confident70Confident169 Ų16994 Ų9464%0.63859%0.587SS**Hα-helixtrans-78.2-49.6176.9-171.8178.5177.6171.66.3111.9G211 G212 L216 R217 E218G211-R214 PolarHBondContact O-N 3.28Å; G212-R214 PolarHBondContact O-N 2.96Å; G212-R214 VanDerWaalsContact O-N 3.17Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.17Å; R214-R217 PolarHBondContact O-N 3.14Å; R214-R217 VanDerWaalsContact O-N 3.14Å; R214-E218 WeakPolarHBondContact CG-OE1 3.34Å; R214-E218 IonicContact CZ-OE1 3.97Å; R214-E218 IonicContact NE-OE1 3.1Å; R214-E218 PolarHBondContact NE-OE1 3.33Å; R214-E218 VanDerWaalsContact NE-OE1 3.1Å; R214-E218 PolarHBondContact O-N 2.85Å
215G76.6Confident72Confident38 Ų3894.7 Ų94.739%0.39258%0.578SS.*Hα-helixtrans-60-39.7177.400000112.4G212 R217 E218 V219G212-G215 PolarHBondContact O-N 3.3Å; G215-R217 VanDerWaalsContact C-N 3.35Å; G215-R217 PolarHBondContact O-N 2.97Å; G215-E218 PolarHBondContact O-N 3.24Å; G215-E218 VanDerWaalsContact O-N 3.17Å; G215-V219 WeakPolarHBondContact O-CG2 3.49Å; G215-V219 PolarHBondContact O-N 3.39Å
216L76.5Confident74Confident118 Ų11895 Ų9562%0.61856%0.563SS**Hα-helixtrans-59-41.4174.7-73.8169.4000112.8G212 R214 E218 V219 V220G212-L216 WeakPolarHBondContact O-CG 3.38Å; G212-L216 PolarHBondContact O-N 2.75Å; R214-L216 VanDerWaalsContact C-N 3.3Å; R214-L216 PolarHBondContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 3.5Å; L216-V219 PolarHBondContact O-N 2.88Å; L216-V220 WeakPolarHBondContact O-CB 3.34Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 3.45Å
217R83.9Confident75.9Confident163 Ų16396.3 Ų96.362%0.61556%0.556SS**Hα-helixtrans-65.4-36.5176-73.6-176.5-66.8-99.46.3112.6A213 R214 G215 R221A213-R217 WeakPolarHBondContact O-CG 3.43Å; A213-R217 PolarHBondContact O-NE 3.38Å; A213-R217 PolarHBondContact O-NH1 3Å; R214-R217 PolarHBondContact O-N 3.14Å; R214-R217 VanDerWaalsContact O-N 3.14Å; G215-R217 VanDerWaalsContact C-N 3.35Å; G215-R217 PolarHBondContact O-N 2.97Å; R217-R221 WeakPolarHBondContact O-CB 3.32Å; R217-R221 PolarHBondContact O-N 3.2Å
218E88.1Confident77.8Confident90 Ų9096.1 Ų96.142%0.42155%0.546SS..Hα-helixtrans-72.6-35.7178.8-70166.7-164.700111.6R214 G215 L216 S222R214-E218 WeakPolarHBondContact CG-OE1 3.34Å; R214-E218 IonicContact CZ-OE1 3.97Å; R214-E218 IonicContact NE-OE1 3.1Å; R214-E218 PolarHBondContact NE-OE1 3.33Å; R214-E218 VanDerWaalsContact NE-OE1 3.1Å; R214-E218 PolarHBondContact O-N 2.85Å; G215-E218 PolarHBondContact O-N 3.24Å; G215-E218 VanDerWaalsContact O-N 3.17Å; L216-E218 VanDerWaalsContact C-N 3.34Å; L216-E218 PolarHBondContact O-N 3.5Å; E218-S222 PolarHBondContact O-N 2.89Å; E218-S222 VanDerWaalsContact O-N 3.13Å
219V87.8Confident79.9Confident86 Ų8696.3 Ų96.352%0.52153%0.532SS..Hα-helixtrans-67.1-45.8170.6172.10000111.9G215 L216 R221 S222 L223G215-V219 WeakPolarHBondContact O-CG2 3.49Å; G215-V219 PolarHBondContact O-N 3.39Å; L216-V219 PolarHBondContact O-N 2.88Å; V219-R221 PolarHBondContact O-N 3.1Å; V219-S222 WeakPolarHBondContact O-CB 3.18Å; V219-S222 PolarHBondContact O-N 3.01Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V219-L223 HydrophobicContact CG1-CD1 4.02Å; V219-L223 HydrophobicContact CG1-CG 4.48Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.42Å
220V86.6Confident81.8Confident74 Ų7494.5 Ų94.545%0.44851%0.511SS..Hα-helixtrans-56.9-49176.2166.30000110.7L216 S222 L223 E224L216-V220 WeakPolarHBondContact O-CB 3.34Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.43Å; L216-V220 PolarHBondContact O-N 3.45Å; V220-S222 VanDerWaalsContact C-N 3.28Å; V220-S222 PolarHBondContact O-N 2.65Å; V220-L223 PolarHBondContact O-N 3.22Å; V220-L223 VanDerWaalsContact O-N 3.08Å; V220-E224 HydrophobicContact CG1-CG 4.38Å; V220-E224 WeakPolarHBondContact O-CG 3.48Å; V220-E224 PolarHBondContact O-N 3.45Å
221R92.3Very high83.7Confident159 Ų15999.1 Ų99.160%0.651%0.508SS*.Hα-helixtrans-59.5-37.2176.9-172179.764.5-168.6-3.1112.7R217 V219 E224 D225R217-R221 WeakPolarHBondContact O-CB 3.32Å; R217-R221 PolarHBondContact O-N 3.2Å; V219-R221 PolarHBondContact O-N 3.1Å; R221-E224 PolarHBondContact O-N 2.87Å; R221-D225 WeakPolarHBondContact O-CB 3.15Å; R221-D225 PolarHBondContact O-N 3.33Å
222S91.7Very high85.5Confident53 Ų5398.3 Ų98.337%0.37150%0.496SS..Hα-helixtrans-65.5-40.2175.2-170.90000112.2E218 V219 V220 D225 Q226E218-S222 PolarHBondContact O-N 2.89Å; E218-S222 VanDerWaalsContact O-N 3.13Å; V219-S222 WeakPolarHBondContact O-CB 3.18Å; V219-S222 PolarHBondContact O-N 3.01Å; V219-S222 VanDerWaalsContact O-N 3.13Å; V220-S222 VanDerWaalsContact C-N 3.28Å; V220-S222 PolarHBondContact O-N 2.65Å; S222-D225 WeakPolarHBondContact O-CB 3.36Å; S222-D225 PolarHBondContact O-N 2.86Å; S222-Q226 VanDerWaalsContact O-CG 3.27Å; S222-Q226 WeakPolarHBondContact O-CG 3.36Å; S222-Q226 PolarHBondContact O-N 3.32Å
223L90.7Very high87.3Confident100 Ų100101.6 Ų101.652%0.52450%0.495SS..Hα-helixtrans-69.5-37176.1-68.6169.4000112.2V219 V220 Q226 L227V219-L223 HydrophobicContact CG1-CD1 4.02Å; V219-L223 HydrophobicContact CG1-CG 4.48Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.42Å; V220-L223 PolarHBondContact O-N 3.22Å; V220-L223 VanDerWaalsContact O-N 3.08Å; L223-Q226 PolarHBondContact O-N 3.08Å; L223-L227 VanDerWaalsContact O-CB 3.32Å; L223-L227 WeakPolarHBondContact O-CB 3.33Å; L223-L227 PolarHBondContact O-N 3.27Å
224E91.8Very high88.7Confident109 Ų109102.7 Ų102.751%0.50950%0.5SS..Hα-helixtrans-62.6-45.7172.4-70.4171.1154.100111.4V220 R221 Q226 L227 L228V220-E224 HydrophobicContact CG1-CG 4.38Å; V220-E224 WeakPolarHBondContact O-CG 3.48Å; V220-E224 PolarHBondContact O-N 3.45Å; R221-E224 PolarHBondContact O-N 2.87Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 3.12Å; E224-L227 PolarHBondContact O-N 3.37Å; E224-L228 WeakPolarHBondContact O-CG 3.4Å; E224-L228 PolarHBondContact O-N 2.92Å
225D93.1Very high89.9Confident70 Ų70100.6 Ų100.637%0.37450%0.497SS..Hα-helixtrans-57.8-44.2173.3-108.3-2.3000112.3R221 S222 L228 R229R221-D225 WeakPolarHBondContact O-CB 3.15Å; R221-D225 PolarHBondContact O-N 3.33Å; S222-D225 WeakPolarHBondContact O-CB 3.36Å; S222-D225 PolarHBondContact O-N 2.86Å; D225-L228 PolarHBondContact O-N 3.36Å; D225-R229 WeakPolarHBondContact O-CD 3.38Å; D225-R229 WeakPolarHBondContact O-CG 3.3Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 IonicContact OD1-NH2 3.67Å; D225-R229 IonicContact OD2-CZ 2.65Å; D225-R229 IonicContact OD2-NH2 2.73Å; D225-R229 PolarHBondContact OD2-NH2 2.59Å
226Q91.4Very high90.7Very high98 Ų98107.9 Ų107.946%0.45851%0.513SS..Hα-helixtrans-66.3-43.4176.5-72.3174.421.500111.6S222 L223 E224 L228 R229 E230S222-Q226 VanDerWaalsContact O-CG 3.27Å; S222-Q226 WeakPolarHBondContact O-CG 3.36Å; S222-Q226 PolarHBondContact O-N 3.32Å; L223-Q226 PolarHBondContact O-N 3.08Å; E224-Q226 VanDerWaalsContact C-N 3.35Å; E224-Q226 PolarHBondContact O-N 3.12Å; Q226-L228 VanDerWaalsContact C-N 3.32Å; Q226-L228 PolarHBondContact O-N 3.48Å; Q226-R229 PolarHBondContact O-N 2.77Å; Q226-E230 PolarHBondContact O-N 2.69Å
227L93.6Very high91.4Very high88 Ų88104.1 Ų104.146%0.46150%0.497SS..Hα-helixtrans-59.6-41.9176-175.273.8000111.6L223 E224 R231L223-L227 VanDerWaalsContact O-CB 3.32Å; L223-L227 WeakPolarHBondContact O-CB 3.33Å; L223-L227 PolarHBondContact O-N 3.27Å; E224-L227 PolarHBondContact O-N 3.37Å; L227-R231 VanDerWaalsContact O-CB 3.32Å; L227-R231 WeakPolarHBondContact O-CB 3.35Å; L227-R231 VanDerWaalsContact O-CG 3.24Å; L227-R231 WeakPolarHBondContact O-CG 3.31Å; L227-R231 PolarHBondContact O-N 2.85Å
228L93.4Very high91.7Very high108 Ų10898.7 Ų98.757%0.56549%0.486SS*.Hα-helixtrans-65.9-40.9175.5-71.3172.8000111.9E224 D225 Q226 R231 A232E224-L228 WeakPolarHBondContact O-CG 3.4Å; E224-L228 PolarHBondContact O-N 2.92Å; D225-L228 PolarHBondContact O-N 3.36Å; Q226-L228 VanDerWaalsContact C-N 3.32Å; Q226-L228 PolarHBondContact O-N 3.48Å; L228-R231 PolarHBondContact O-N 2.9Å; L228-A232 WeakPolarHBondContact O-CB 3.34Å; L228-A232 PolarHBondContact O-N 2.85Å
229R94Very high92Very high133 Ų13397.7 Ų97.750%0.50249%0.487SS..Hα-helixtrans-64.3-43.9175.9-70.7163.5-165.3155.313.8111.9D225 Q226 A232 K233D225-R229 WeakPolarHBondContact O-CD 3.38Å; D225-R229 WeakPolarHBondContact O-CG 3.3Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 IonicContact OD1-NH2 3.67Å; D225-R229 IonicContact OD2-CZ 2.65Å; D225-R229 IonicContact OD2-NH2 2.73Å; D225-R229 PolarHBondContact OD2-NH2 2.59Å; Q226-R229 PolarHBondContact O-N 2.77Å; R229-A232 PolarHBondContact O-N 3.13Å; R229-K233 WeakPolarHBondContact O-CG 3.33Å; R229-K233 PolarHBondContact O-N 3.23Å
230E91.4Very high92.5Very high99 Ų9999.4 Ų99.446%0.46349%0.487SS..Hα-helixtrans-69.9-38.6176.4-69-46.2127.800112.8Q226 A232 K233 S234Q226-E230 PolarHBondContact O-N 2.69Å; E230-A232 VanDerWaalsContact C-N 3.31Å; E230-A232 PolarHBondContact O-N 3.2Å; E230-K233 PolarHBondContact O-N 2.91Å; E230-K233 WeakPolarHBondContact OE1-CD 3.4Å; E230-K233 WeakPolarHBondContact OE1-CE 3.39Å; E230-K233 IonicContact OE1-NZ 3.89Å; E230-K233 PolarHBondContact OE1-NZ 3.24Å; E230-K233 WeakPolarHBondContact OE2-CD 3.29Å; E230-K233 IonicContact OE2-NZ 3.68Å; E230-S234 WeakPolarHBondContact O-CB 3.49Å; E230-S234 PolarHBondContact O-N 2.82Å
231R89.5Confident92.9Very high163 Ų163103.2 Ų103.262%0.61549%0.493SS*.Hα-helixtrans-58.9-42.7170.2-76.3174.5177.1-171.90.1111.2L227 L228 Q235L227-R231 VanDerWaalsContact O-CB 3.32Å; L227-R231 WeakPolarHBondContact O-CB 3.35Å; L227-R231 VanDerWaalsContact O-CG 3.24Å; L227-R231 WeakPolarHBondContact O-CG 3.31Å; L227-R231 PolarHBondContact O-N 2.85Å; L228-R231 PolarHBondContact O-N 2.9Å; R231-Q235 VanDerWaalsContact O-CB 3.23Å; R231-Q235 WeakPolarHBondContact O-CB 3.47Å; R231-Q235 PolarHBondContact O-N 3.44Å
232A93.9Very high92.9Very high44 Ų4496.5 Ų96.536%0.36447%0.474SS..Hα-helixtrans-66.9-41.9177.100000113.3L228 R229 E230 R236L228-A232 WeakPolarHBondContact O-CB 3.34Å; L228-A232 PolarHBondContact O-N 2.85Å; R229-A232 PolarHBondContact O-N 3.13Å; E230-A232 VanDerWaalsContact C-N 3.31Å; E230-A232 PolarHBondContact O-N 3.2Å; A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 VanDerWaalsContact O-CG 3.24Å; A232-R236 WeakPolarHBondContact O-CG 3.33Å; A232-R236 PolarHBondContact O-N 3.27Å
233K95.3Very high93.2Very high123 Ų123100 Ų10054%0.53548%0.484SS..Hα-helixtrans-62.3-49.3173-73.9170.9-178.7176.80111.4R229 E230 Q235 R236 S237R229-K233 WeakPolarHBondContact O-CG 3.33Å; R229-K233 PolarHBondContact O-N 3.23Å; E230-K233 PolarHBondContact O-N 2.91Å; E230-K233 WeakPolarHBondContact OE1-CD 3.4Å; E230-K233 WeakPolarHBondContact OE1-CE 3.39Å; E230-K233 IonicContact OE1-NZ 3.89Å; E230-K233 PolarHBondContact OE1-NZ 3.24Å; E230-K233 WeakPolarHBondContact OE2-CD 3.29Å; E230-K233 IonicContact OE2-NZ 3.68Å; K233-Q235 PolarHBondContact O-N 3.31Å; K233-R236 PolarHBondContact O-N 3.33Å; K233-S237 PolarHBondContact O-N 2.95Å
234S92.1Very high93.4Very high72 Ų7299.4 Ų99.450%0.50348%0.479SS..Hα-helixtrans-58.2-48.9178.9-175.80000110.8E230 R236 S237 A238E230-S234 WeakPolarHBondContact O-CB 3.49Å; E230-S234 PolarHBondContact O-N 2.82Å; S234-R236 PolarHBondContact O-N 3.34Å; S234-S237 CarbonylContact O-C 3.58Å; S234-S237 WeakPolarHBondContact O-CA 3.4Å; S234-S237 WeakPolarHBondContact O-CB 3.4Å; S234-S237 PolarHBondContact O-N 2.85Å; S234-S237 PolarHBondContact O-OG 2.84Å; S234-A238 PolarHBondContact O-N 3.43Å
235Q93.5Very high93.6Very high125 Ų125100.4 Ų100.458%0.58448%0.483SS*.Hα-helixtrans-58.5-45176.4-172.666800112.5R231 K233 S237 A238 T239R231-Q235 VanDerWaalsContact O-CB 3.23Å; R231-Q235 WeakPolarHBondContact O-CB 3.47Å; R231-Q235 PolarHBondContact O-N 3.44Å; K233-Q235 PolarHBondContact O-N 3.31Å; Q235-S237 VanDerWaalsContact C-N 3.3Å; Q235-S237 PolarHBondContact O-N 3.02Å; Q235-A238 PolarHBondContact O-N 3.09Å; Q235-T239 WeakPolarHBondContact O-CG2 3.36Å; Q235-T239 PolarHBondContact O-N 2.94Å; Q235-T239 PolarHBondContact O-OG1 3.3Å
236R93.9Very high93.7Very high190 Ų190104.3 Ų104.372%0.71749%0.493SS*.Hα-helixtrans-62.5-35.7174.6-71.3170.1-174.7-170.12.7112.4A232 K233 S234 T239 K240A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 VanDerWaalsContact O-CG 3.24Å; A232-R236 WeakPolarHBondContact O-CG 3.33Å; A232-R236 PolarHBondContact O-N 3.27Å; K233-R236 PolarHBondContact O-N 3.33Å; S234-R236 PolarHBondContact O-N 3.34Å; R236-T239 PolarHBondContact O-OG1 2.86Å; R236-T239 VanDerWaalsContact O-OG1 3.11Å; R236-K240 WeakPolarHBondContact O-CB 3.28Å; R236-K240 PolarHBondContact O-N 3Å; R236-K240 VanDerWaalsContact O-N 3.12Å
237S91.3Very high94Very high40 Ų40107.6 Ų107.628%0.2850%0.501SS..Hα-helixtrans-71.7-33.9175.485.40000112.3K233 S234 Q235 R241K233-S237 PolarHBondContact O-N 2.95Å; S234-S237 CarbonylContact O-C 3.58Å; S234-S237 WeakPolarHBondContact O-CA 3.4Å; S234-S237 WeakPolarHBondContact O-CB 3.4Å; S234-S237 PolarHBondContact O-N 2.85Å; S234-S237 PolarHBondContact O-OG 2.84Å; Q235-S237 VanDerWaalsContact C-N 3.3Å; Q235-S237 PolarHBondContact O-N 3.02Å; S237-R241 VanDerWaalsContact CB-NH1 3.35Å; S237-R241 WeakPolarHBondContact O-CG 3.43Å; S237-R241 PolarHBondContact O-N 3.49Å; S237-R241 PolarHBondContact O-NH1 3.35Å; S237-R241 PolarHBondContact OG-NH1 2.95Å
238A90.9Very high94.2Very high48 Ų48108.3 Ų108.340%0.39751%0.505SS..Hα-helixtrans-72.3-42.817700000111.5S234 Q235 R241 G242S234-A238 PolarHBondContact O-N 3.43Å; Q235-A238 PolarHBondContact O-N 3.09Å; A238-R241 PolarHBondContact O-N 3.33Å; A238-G242 PolarHBondContact O-N 3.31Å
239T94.9Very high94.3Very high70 Ų70107.3 Ų107.343%0.42950%0.5SS..Hα-helixtrans-64.8-39.2174.755.40000111.9Q235 R236 G242 Q243Q235-T239 WeakPolarHBondContact O-CG2 3.36Å; Q235-T239 PolarHBondContact O-N 2.94Å; Q235-T239 PolarHBondContact O-OG1 3.3Å; R236-T239 PolarHBondContact O-OG1 2.86Å; R236-T239 VanDerWaalsContact O-OG1 3.11Å; T239-G242 CarbonylContact O-C 3.57Å; T239-G242 PolarHBondContact O-N 3.03Å; T239-Q243 WeakPolarHBondContact O-CG 3.34Å; T239-Q243 PolarHBondContact O-N 2.85Å
240K97.4Very high94.5Very high122 Ų122106.3 Ų106.353%0.5350%0.501SS..Hα-helixtrans-62.5-52.4173.7179171.1170.4176.40112.2R236 G242 Q243 E244R236-K240 WeakPolarHBondContact O-CB 3.28Å; R236-K240 PolarHBondContact O-N 3Å; R236-K240 VanDerWaalsContact O-N 3.12Å; K240-G242 PolarHBondContact O-N 3.47Å; K240-Q243 WeakPolarHBondContact O-CA 3.48Å; K240-Q243 WeakPolarHBondContact O-CB 3.47Å; K240-Q243 PolarHBondContact O-N 3.23Å; K240-E244 WeakPolarHBondContact CE-OE1 3.25Å; K240-E244 IonicContact NZ-OE1 3.24Å; K240-E244 WeakPolarHBondContact O-CG 3.37Å; K240-E244 PolarHBondContact O-N 2.67Å
241R94.6Very high94.8Very high153 Ų153105.4 Ų105.458%0.57750%0.497SS*.Hα-helixtrans-58.2-38.3175.6-71.3-175.2-163.293.4-8.2111.9S237 A238 Q243 E244 Q245S237-R241 VanDerWaalsContact CB-NH1 3.35Å; S237-R241 WeakPolarHBondContact O-CG 3.43Å; S237-R241 PolarHBondContact O-N 3.49Å; S237-R241 PolarHBondContact O-NH1 3.35Å; S237-R241 PolarHBondContact OG-NH1 2.95Å; A238-R241 PolarHBondContact O-N 3.33Å; R241-Q243 VanDerWaalsContact C-N 3.26Å; R241-Q243 PolarHBondContact O-N 2.85Å; R241-E244 PolarHBondContact O-N 3.09Å; R241-Q245 WeakPolarHBondContact O-CB 3.38Å; R241-Q245 PolarHBondContact O-N 3.05Å
242G93.5Very high95.1Very high19 Ų19101.8 Ų101.820%0.19649%0.489CS..Hα-helixtrans-73.2-7.9175.100000115.3A238 T239 K240 R246A238-G242 PolarHBondContact O-N 3.31Å; T239-G242 CarbonylContact O-C 3.57Å; T239-G242 PolarHBondContact O-N 3.03Å; K240-G242 PolarHBondContact O-N 3.47Å; G242-R246 PolarHBondContact O-NE 3.28Å; G242-R246 PolarHBondContact O-NH2 2.86Å
243Q96.6Very high95.2Very high125 Ų125105.9 Ų105.958%0.58450%0.501SS*.Hα-helixtrans-91.8-44.3165.8-74.4168.9-2100110.1T239 K240 R241 Q245 R246 R247T239-Q243 WeakPolarHBondContact O-CG 3.34Å; T239-Q243 PolarHBondContact O-N 2.85Å; K240-Q243 WeakPolarHBondContact O-CA 3.48Å; K240-Q243 WeakPolarHBondContact O-CB 3.47Å; K240-Q243 PolarHBondContact O-N 3.23Å; R241-Q243 VanDerWaalsContact C-N 3.26Å; R241-Q243 PolarHBondContact O-N 2.85Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 2.87Å; Q243-R246 PolarHBondContact O-N 2.79Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; Q243-R247 PolarHBondContact O-N 3.3Å
244E96.4Very high95.3Very high88 Ų88106.5 Ų106.541%0.41151%0.505SS..Hα-helixtrans-58.2-44.5175.6-68.6165.4161.900111.5K240 R241 R246 R247 L248K240-E244 WeakPolarHBondContact CE-OE1 3.25Å; K240-E244 IonicContact NZ-OE1 3.24Å; K240-E244 WeakPolarHBondContact O-CG 3.37Å; K240-E244 PolarHBondContact O-N 2.67Å; R241-E244 PolarHBondContact O-N 3.09Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 2.9Å; E244-R247 PolarHBondContact O-N 2.93Å; E244-L248 WeakPolarHBondContact O-CG 3.41Å; E244-L248 PolarHBondContact O-N 2.88Å
245Q94.3Very high95.5Very high130 Ų130108.4 Ų108.461%0.60751%0.51SS*.Hα-helixtrans-60.4-39.1174.9-174.6-178.87.300112.8R241 Q243 L249R241-Q245 WeakPolarHBondContact O-CB 3.38Å; R241-Q245 PolarHBondContact O-N 3.05Å; Q243-Q245 VanDerWaalsContact C-N 3.34Å; Q243-Q245 PolarHBondContact O-N 2.87Å; Q245-L249 HydrophobicContact CG-CD1 4.41Å; Q245-L249 WeakPolarHBondContact O-CG 3.45Å; Q245-L249 PolarHBondContact O-N 3.14Å
246R96.5Very high95.7Very high153 Ų153109 Ų10958%0.57751%0.506SS*.Hα-helixtrans-67.5-46.5176.9-91.6177.4-79.7-166.1-6.2111.3G242 Q243 E244 L248 L249 E250G242-R246 PolarHBondContact O-NE 3.28Å; G242-R246 PolarHBondContact O-NH2 2.86Å; Q243-R246 PolarHBondContact O-N 2.79Å; Q243-R246 VanDerWaalsContact O-N 3.14Å; E244-R246 VanDerWaalsContact C-N 3.34Å; E244-R246 PolarHBondContact O-N 2.9Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.84Å; R246-L249 WeakPolarHBondContact O-CB 3.5Å; R246-L249 PolarHBondContact O-N 3.31Å; R246-L249 VanDerWaalsContact O-N 3.08Å; R246-E250 WeakPolarHBondContact O-CG 3.32Å; R246-E250 PolarHBondContact O-N 3.37Å
247R97.4Very high95.8Very high166 Ų166102.6 Ų102.663%0.62649%0.494SS*.Hα-helixtrans-58.5-39.2175.2-172.5178.6180-1760.7112.7Q243 E244 Q251Q243-R247 PolarHBondContact O-N 3.3Å; E244-R247 PolarHBondContact O-N 2.93Å; R247-Q251 WeakPolarHBondContact O-CB 3.5Å; R247-Q251 VanDerWaalsContact O-CG 3.3Å; R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.41Å
248L97.1Very high96.1Very high103 Ų103103.3 Ų103.354%0.53950%0.499SS..Hα-helixtrans-68.7-35.6175.7-71.5170.1000112.6E244 R246 L252E244-L248 WeakPolarHBondContact O-CG 3.41Å; E244-L248 PolarHBondContact O-N 2.88Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 2.84Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 VanDerWaalsContact O-CG 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.13Å; L248-L252 PolarHBondContact O-N 2.84Å
249L96.3Very high96.3Very high88 Ų88105 Ų10546%0.46150%0.498SS..Hα-helixtrans-67.1-44.8173.5-72.7167.5000111.5Q245 R246 Q251 L252 E253Q245-L249 HydrophobicContact CG-CD1 4.41Å; Q245-L249 WeakPolarHBondContact O-CG 3.45Å; Q245-L249 PolarHBondContact O-N 3.14Å; R246-L249 WeakPolarHBondContact O-CB 3.5Å; R246-L249 PolarHBondContact O-N 3.31Å; R246-L249 VanDerWaalsContact O-N 3.08Å; L249-Q251 PolarHBondContact O-N 3.3Å; L249-L252 PolarHBondContact O-N 3.47Å; L249-L252 VanDerWaalsContact O-N 3.16Å; L249-E253 PolarHBondContact O-N 2.98Å
250E97.6Very high96.4Very high112 Ų112109.5 Ų109.552%0.52351%0.508SS..Hα-helixtrans-55.3-49.3173.8-70.2157.3-170.200110.7R246 L252 E253 E254R246-E250 WeakPolarHBondContact O-CG 3.32Å; R246-E250 PolarHBondContact O-N 3.37Å; E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.32Å; E250-E253 PolarHBondContact O-N 2.88Å; E250-E253 VanDerWaalsContact O-N 3.12Å; E250-E254 WeakPolarHBondContact O-CG 3.47Å; E250-E254 PolarHBondContact O-N 3.33Å
251Q97.4Very high96.4Very high80 Ų80106.5 Ų106.537%0.37451%0.505SS..Hα-helixtrans-62.7-35.7176.4-73179.8-46.700113.5R247 L249 E253 L255R247-Q251 WeakPolarHBondContact O-CB 3.5Å; R247-Q251 VanDerWaalsContact O-CG 3.3Å; R247-Q251 WeakPolarHBondContact O-CG 3.47Å; R247-Q251 PolarHBondContact O-N 3.41Å; L249-Q251 PolarHBondContact O-N 3.3Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; Q251-L255 WeakPolarHBondContact O-CB 3.15Å; Q251-L255 VanDerWaalsContact O-CG 3.26Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.09Å
252L95.8Very high96.5Very high87 Ų87104.1 Ų104.146%0.45550%0.504SS..Hα-helixtrans-68.9-32174.3-75.7170.2000112.3L248 L249 E250 R256L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 VanDerWaalsContact O-CG 3.29Å; L248-L252 WeakPolarHBondContact O-CG 3.13Å; L248-L252 PolarHBondContact O-N 2.84Å; L249-L252 PolarHBondContact O-N 3.47Å; L249-L252 VanDerWaalsContact O-N 3.16Å; E250-L252 VanDerWaalsContact C-N 3.35Å; E250-L252 PolarHBondContact O-N 3.32Å; L252-R256 WeakPolarHBondContact O-CB 3.38Å; L252-R256 WeakPolarHBondContact O-CD 3.4Å; L252-R256 WeakPolarHBondContact O-CG 3.48Å; L252-R256 PolarHBondContact O-N 3.34Å
253E96.8Very high96.6Very high129 Ų129110.4 Ų110.460%0.60352%0.521SS*.Hα-helixtrans-74.3-40.5174.4-70.4-173.5178.800112L249 E250 Q251 R256 A257L249-E253 PolarHBondContact O-N 2.98Å; E250-E253 PolarHBondContact O-N 2.88Å; E250-E253 VanDerWaalsContact O-N 3.12Å; Q251-E253 VanDerWaalsContact C-N 3.34Å; E253-R256 PolarHBondContact O-N 3.41Å; E253-A257 WeakPolarHBondContact O-CB 3.32Å; E253-A257 PolarHBondContact O-N 3.25Å
254E97Very high96.7Very high136 Ų136110.1 Ų110.164%0.63652%0.522SS*.Hα-helixtrans-58.4-47.1170.2-71.8-179.315800111.9E250 A257 S258E250-E254 WeakPolarHBondContact O-CG 3.47Å; E250-E254 PolarHBondContact O-N 3.33Å; E254-A257 WeakPolarHBondContact O-CB 3.42Å; E254-A257 PolarHBondContact O-N 3.15Å; E254-S258 PolarHBondContact O-N 2.98Å
255L96.6Very high96.7Very high113 Ų113114 Ų11459%0.59253%0.533SS*.Hα-helixtrans-64.2-40.8177-73.9170.9000112Q251 A257 S258 E259Q251-L255 WeakPolarHBondContact O-CB 3.15Å; Q251-L255 VanDerWaalsContact O-CG 3.26Å; Q251-L255 WeakPolarHBondContact O-CG 3.35Å; Q251-L255 PolarHBondContact O-N 3.09Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 2.8Å; L255-S258 PolarHBondContact O-N 2.93Å; L255-S258 PolarHBondContact O-OG 2.79Å; L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 PolarHBondContact O-N 2.79Å
256R96.9Very high96.8Very high138 Ų138112 Ų11252%0.52153%0.53SS..Hα-helixtrans-64.6-34.3173-76165.3173.3170.1-2.3112.4L252 E253 R260L252-R256 WeakPolarHBondContact O-CB 3.38Å; L252-R256 WeakPolarHBondContact O-CD 3.4Å; L252-R256 WeakPolarHBondContact O-CG 3.48Å; L252-R256 PolarHBondContact O-N 3.34Å; E253-R256 PolarHBondContact O-N 3.41Å; R256-R260 WeakPolarHBondContact O-CD 3.28Å; R256-R260 WeakPolarHBondContact O-CG 3.37Å; R256-R260 PolarHBondContact O-N 2.85Å; R256-R260 VanDerWaalsContact O-N 3.1Å
257A96.9Very high96.8Very high54 Ų54111.7 Ų111.745%0.44653%0.533SS..Hα-helixtrans-69.4-44.6175.400000111.4E253 E254 L255 R260 A261E253-A257 WeakPolarHBondContact O-CB 3.32Å; E253-A257 PolarHBondContact O-N 3.25Å; E254-A257 WeakPolarHBondContact O-CB 3.42Å; E254-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 2.8Å; A257-R260 PolarHBondContact O-N 2.86Å; A257-A261 PolarHBondContact O-N 3.08Å
258S96.7Very high96.8Very high55 Ų55106.5 Ų106.539%0.38552%0.522SS..Hα-helixtrans-65.1-39.3176.5760000111.9E254 L255 R260 A261 L262E254-S258 PolarHBondContact O-N 2.98Å; L255-S258 PolarHBondContact O-N 2.93Å; L255-S258 PolarHBondContact O-OG 2.79Å; S258-R260 PolarHBondContact O-N 3Å; S258-A261 PolarHBondContact O-N 3.48Å; S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 WeakPolarHBondContact O-CG 3.11Å; S258-L262 PolarHBondContact O-N 2.84Å
259E96.3Very high96.8Very high83 Ų83105.4 Ų105.439%0.38852%0.516SS..Hα-helixtrans-60.8-45.5173.9-164.8-151.6-177.300111.8L255 A261 L262 R263L255-E259 WeakPolarHBondContact O-CB 3.44Å; L255-E259 PolarHBondContact O-N 2.79Å; E259-A261 VanDerWaalsContact C-N 3.35Å; E259-A261 PolarHBondContact O-N 3.46Å; E259-L262 PolarHBondContact O-N 2.82Å; E259-R263 VanDerWaalsContact CD-NE 3.28Å; E259-R263 WeakPolarHBondContact O-CB 3.32Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.45Å; E259-R263 PolarHBondContact O-N 2.9Å; E259-R263 IonicContact OE1-CZ 3.22Å; E259-R263 IonicContact OE1-NE 2.86Å; E259-R263 PolarHBondContact OE1-NE 3.37Å; E259-R263 IonicContact OE1-NH2 2.72Å; E259-R263 PolarHBondContact OE1-NH2 2.72Å; E259-R263 IonicContact OE2-CZ 2.83Å; E259-R263 IonicContact OE2-NE 2.88Å; E259-R263 IonicContact OE2-NH2 3.3Å
260R96.8Very high96.7Very high166 Ų166105 Ų10563%0.62652%0.518SS*.Hα-helixtrans-60.4-43.2174.5-71.9164.2-175.5177.11.1111.5R256 A257 S258 R263 I264R256-R260 WeakPolarHBondContact O-CD 3.28Å; R256-R260 WeakPolarHBondContact O-CG 3.37Å; R256-R260 PolarHBondContact O-N 2.85Å; R256-R260 VanDerWaalsContact O-N 3.1Å; A257-R260 PolarHBondContact O-N 2.86Å; S258-R260 PolarHBondContact O-N 3Å; R260-R263 PolarHBondContact O-N 2.96Å; R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.38Å; R260-I264 PolarHBondContact O-N 3.26Å
261A97.1Very high96.6Very high58 Ų58104.6 Ų104.648%0.47952%0.519SS..Hα-helixtrans-63.6-42.4176.700000112.2A257 S258 E259 I264 R265A257-A261 PolarHBondContact O-N 3.08Å; S258-A261 PolarHBondContact O-N 3.48Å; E259-A261 VanDerWaalsContact C-N 3.35Å; E259-A261 PolarHBondContact O-N 3.46Å; A261-I264 PolarHBondContact O-N 2.81Å; A261-R265 PolarHBondContact O-N 3.05Å
262L96.8Very high96.5Very high104 Ų104104.9 Ų104.955%0.54552%0.52SS..Hα-helixtrans-65-44.5174.7-71.6171.4000111.8S258 E259 I264 R265 V266S258-L262 WeakPolarHBondContact O-CB 3.36Å; S258-L262 WeakPolarHBondContact O-CG 3.11Å; S258-L262 PolarHBondContact O-N 2.84Å; E259-L262 PolarHBondContact O-N 2.82Å; L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 3.27Å; L262-R265 PolarHBondContact O-N 3.48Å; L262-R265 VanDerWaalsContact O-N 3.14Å; L262-V266 WeakPolarHBondContact O-CG2 3.38Å; L262-V266 PolarHBondContact O-N 3.18Å
263R96.5Very high96.3Very high151 Ų151105.3 Ų105.357%0.5752%0.522SS*.Hα-helixtrans-57.8-36.1173.6-73.4168.9174.9-136.38.6112E259 R260 K267E259-R263 VanDerWaalsContact CD-NE 3.28Å; E259-R263 WeakPolarHBondContact O-CB 3.32Å; E259-R263 VanDerWaalsContact O-CG 3.25Å; E259-R263 WeakPolarHBondContact O-CG 3.45Å; E259-R263 PolarHBondContact O-N 2.9Å; E259-R263 IonicContact OE1-CZ 3.22Å; E259-R263 IonicContact OE1-NE 2.86Å; E259-R263 PolarHBondContact OE1-NE 3.37Å; E259-R263 IonicContact OE1-NH2 2.72Å; E259-R263 PolarHBondContact OE1-NH2 2.72Å; E259-R263 IonicContact OE2-CZ 2.83Å; E259-R263 IonicContact OE2-NE 2.88Å; E259-R263 IonicContact OE2-NH2 3.3Å; R260-R263 PolarHBondContact O-N 2.96Å; R263-K267 WeakPolarHBondContact O-CG 3.46Å; R263-K267 PolarHBondContact O-N 3.49Å
264I96.9Very high96Very high118 Ų118101.3 Ų101.361%0.60551%0.511SS*.Hα-helixtrans-71.4-45.7173.7-68.4163.9000110.9R260 A261 L262 V266 K267 S268R260-I264 VanDerWaalsContact O-CG1 3.3Å; R260-I264 WeakPolarHBondContact O-CG1 3.38Å; R260-I264 PolarHBondContact O-N 3.26Å; A261-I264 PolarHBondContact O-N 2.81Å; L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 3.27Å; I264-V266 VanDerWaalsContact C-N 3.35Å; I264-V266 PolarHBondContact O-N 3.2Å; I264-K267 WeakPolarHBondContact O-CB 3.34Å; I264-K267 PolarHBondContact O-N 3.35Å; I264-K267 VanDerWaalsContact O-N 3.11Å; I264-S268 PolarHBondContact O-N 3.38Å
265R96.6Very high95.6Very high169 Ų169100.6 Ų100.664%0.63851%0.511SS*.Hα-helixtrans-60.4-41.9178.1-172.9177.3-178.9-178.30.2112.2A261 L262 K267 S268 L269A261-R265 PolarHBondContact O-N 3.05Å; L262-R265 PolarHBondContact O-N 3.48Å; L262-R265 VanDerWaalsContact O-N 3.14Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.38Å; R265-S268 WeakPolarHBondContact O-CB 3.33Å; R265-S268 PolarHBondContact O-N 2.9Å; R265-L269 HydrophobicContact CG-CD1 4.1Å; R265-L269 HydrophobicContact CG-CG 4.49Å; R265-L269 WeakPolarHBondContact O-CG 3.4Å; R265-L269 PolarHBondContact O-N 3.31Å
266V97.1Very high95.2Very high90 Ų90101 Ų10155%0.54551%0.513SS..Hα-helixtrans-60.4-42.6173.9170.10000110.8L262 I264 S268 L269 T270L262-V266 WeakPolarHBondContact O-CG2 3.38Å; L262-V266 PolarHBondContact O-N 3.18Å; I264-V266 VanDerWaalsContact C-N 3.35Å; I264-V266 PolarHBondContact O-N 3.2Å; V266-S268 PolarHBondContact O-N 2.96Å; V266-L269 PolarHBondContact O-N 3.18Å; V266-T270 WeakPolarHBondContact O-CB 3.25Å; V266-T270 PolarHBondContact O-N 3Å; V266-T270 PolarHBondContact O-OG1 3.34Å
267K97.2Very high94.6Very high146 Ų146103.5 Ų103.564%0.63552%0.523SS*.Hα-helixtrans-63.2-39.3174.6-73.2176.5178.2-173.70112.8R263 I264 R265 N271R263-K267 WeakPolarHBondContact O-CG 3.46Å; R263-K267 PolarHBondContact O-N 3.49Å; I264-K267 WeakPolarHBondContact O-CB 3.34Å; I264-K267 PolarHBondContact O-N 3.35Å; I264-K267 VanDerWaalsContact O-N 3.11Å; R265-K267 VanDerWaalsContact C-N 3.33Å; R265-K267 PolarHBondContact O-N 3.38Å; K267-N271 PolarHBondContact O-N 3.06Å; K267-N271 PolarHBondContact O-ND2 3.21Å
268S96.6Very high93.6Very high57 Ų57110.6 Ų110.640%0.39954%0.538SS..Hα-helixtrans-60.8-55.2174.2-161.50000111I264 R265 V266 T270 N271 E272I264-S268 PolarHBondContact O-N 3.38Å; R265-S268 WeakPolarHBondContact O-CB 3.33Å; R265-S268 PolarHBondContact O-N 2.9Å; V266-S268 PolarHBondContact O-N 2.96Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 3.04Å; S268-N271 WeakPolarHBondContact O-CA 3.4Å; S268-N271 WeakPolarHBondContact O-CB 3.46Å; S268-N271 PolarHBondContact O-N 3.12Å; S268-E272 WeakPolarHBondContact CB-OE1 3.36Å; S268-E272 WeakPolarHBondContact O-CG 3.16Å; S268-E272 PolarHBondContact O-N 3.26Å; S268-E272 PolarHBondContact OG-OE1 3.45Å
269L96.2Very high91.9Very high79 Ų79110.9 Ų110.941%0.41455%0.55SS.*Hα-helixtrans-59.8-36.2179.8-67.3170.4000112.4R265 V266 E272 L273R265-L269 HydrophobicContact CG-CD1 4.1Å; R265-L269 HydrophobicContact CG-CG 4.49Å; R265-L269 WeakPolarHBondContact O-CG 3.4Å; R265-L269 PolarHBondContact O-N 3.31Å; V266-L269 PolarHBondContact O-N 3.18Å; L269-E272 PolarHBondContact N-OE1 3.38Å; L269-E272 PolarHBondContact O-N 3.29Å; L269-L273 WeakPolarHBondContact O-CB 3.3Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 2.91Å
270T95.1Very high90.2Very high80 Ų80117.5 Ų117.549%0.49157%0.571SS.*Hα-helixtrans-64.9-41173.4-63.70000112V266 S268 A274V266-T270 WeakPolarHBondContact O-CB 3.25Å; V266-T270 PolarHBondContact O-N 3Å; V266-T270 PolarHBondContact O-OG1 3.34Å; S268-T270 VanDerWaalsContact C-N 3.28Å; S268-T270 PolarHBondContact O-N 3.04Å; T270-A274 WeakPolarHBondContact O-CB 3.48Å; T270-A274 PolarHBondContact O-N 2.87Å
271N95.5Very high87.8Confident104 Ų104116.4 Ų116.456%0.55658%0.577SS**Hα-helixtrans-67.1-42.4175.2-68.7-19.3000111.5K267 S268 A274 L275K267-N271 PolarHBondContact O-N 3.06Å; K267-N271 PolarHBondContact O-ND2 3.21Å; S268-N271 WeakPolarHBondContact O-CA 3.4Å; S268-N271 WeakPolarHBondContact O-CB 3.46Å; S268-N271 PolarHBondContact O-N 3.12Å; N271-A274 WeakPolarHBondContact O-CB 3.45Å; N271-A274 PolarHBondContact O-N 3.45Å; N271-L275 WeakPolarHBondContact O-CG 3.24Å; N271-L275 PolarHBondContact O-N 2.69Å
272E95.3Very high85.1Confident85 Ų85119.6 Ų119.640%0.39759%0.591SS.*Hα-helixtrans-60.9-46175.7-68.5158-127.700111.2S268 L269 A274 L275 L276S268-E272 WeakPolarHBondContact CB-OE1 3.36Å; S268-E272 WeakPolarHBondContact O-CG 3.16Å; S268-E272 PolarHBondContact O-N 3.26Å; S268-E272 PolarHBondContact OG-OE1 3.45Å; L269-E272 PolarHBondContact N-OE1 3.38Å; L269-E272 PolarHBondContact O-N 3.29Å; E272-A274 VanDerWaalsContact C-N 3.33Å; E272-A274 PolarHBondContact O-N 3.47Å; E272-L275 PolarHBondContact O-N 2.89Å; E272-L276 WeakPolarHBondContact O-CB 3.42Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 3.22Å
273L92Very high82.6Confident96 Ų96120.1 Ų120.150%0.50360%0.601SS.*Hα-helixtrans-63.1-36.4173.6-73.6171.8000112.5L269 R277L269-L273 WeakPolarHBondContact O-CB 3.3Å; L269-L273 VanDerWaalsContact O-CG 3.25Å; L269-L273 WeakPolarHBondContact O-CG 3.3Å; L269-L273 PolarHBondContact O-N 2.91Å; L273-R277 VanDerWaalsContact O-CB 3.31Å; L273-R277 WeakPolarHBondContact O-CB 3.47Å; L273-R277 VanDerWaalsContact O-CG 3.22Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 3.48Å
274A89.4Confident79.8Confident45 Ų45119 Ų11937%0.37261%0.611SS.*Hα-helixtrans-67.4-39.117500000112.1T270 N271 E272 R278T270-A274 WeakPolarHBondContact O-CB 3.48Å; T270-A274 PolarHBondContact O-N 2.87Å; N271-A274 WeakPolarHBondContact O-CB 3.45Å; N271-A274 PolarHBondContact O-N 3.45Å; E272-A274 VanDerWaalsContact C-N 3.33Å; E272-A274 PolarHBondContact O-N 3.47Å; A274-R278 WeakPolarHBondContact O-CG 3.27Å; A274-R278 PolarHBondContact O-N 3.49Å
275L90.1Very high76.9Confident121 Ų121121.4 Ų121.463%0.63462%0.624SS**Hα-helixtrans-65.4-47.2173.6-71.1169.6000111.4N271 E272 R277 R278 G279N271-L275 WeakPolarHBondContact O-CG 3.24Å; N271-L275 PolarHBondContact O-N 2.69Å; E272-L275 PolarHBondContact O-N 2.89Å; L275-R277 VanDerWaalsContact C-N 3.33Å; L275-R277 PolarHBondContact O-N 2.93Å; L275-R278 PolarHBondContact O-N 2.94Å; L275-G279 PolarHBondContact O-N 2.96Å
276L87.5Confident73.9Confident121 Ų121119.5 Ų119.563%0.63464%0.637SS**Hα-helixtrans-63.9-34.9177.6-70.4171.2000112.8E272 R280E272-L276 WeakPolarHBondContact O-CB 3.42Å; E272-L276 WeakPolarHBondContact O-CG 3.37Å; E272-L276 PolarHBondContact O-N 3.22Å; L276-R280 PolarHBondContact O-N 3.11Å
277R84.1Confident70.8Confident191 Ų191118.8 Ų118.872%0.72165%0.648SS**Hα-helixtrans-68.1-41.5172.6-76.7173176.2-172.1-1.4112.1L273 L275 R280L273-R277 VanDerWaalsContact O-CB 3.31Å; L273-R277 WeakPolarHBondContact O-CB 3.47Å; L273-R277 VanDerWaalsContact O-CG 3.22Å; L273-R277 WeakPolarHBondContact O-CG 3.38Å; L273-R277 PolarHBondContact O-N 3.48Å; L275-R277 VanDerWaalsContact C-N 3.33Å; L275-R277 PolarHBondContact O-N 2.93Å; R277-R280 PolarHBondContact O-N 3.31Å
278R75.7Confident67.9Low203 Ų203123.7 Ų123.777%0.76666%0.662SS**Hα-helixtrans-64.8-39173.6-74.8178176.9-160.9-1.1112.1A274 L275 R280 L281A274-R278 WeakPolarHBondContact O-CG 3.27Å; A274-R278 PolarHBondContact O-N 3.49Å; L275-R278 PolarHBondContact O-N 2.94Å; R278-R280 PolarHBondContact O-N 3.42Å; R278-L281 PolarHBondContact O-N 3Å
279G62.3Low65Low62 Ų62126.6 Ų126.664%0.63968%0.683SS**THydrogen-bonded Turntrans-71.5-5.7177.800000115.8L275L275-G279 PolarHBondContact O-N 2.96Å
280R58.8Low62Low221 Ų221127.5 Ų127.583%0.83470%0.701SS**THydrogen-bonded Turntrans-101.53.3177.4-89.6-171.8172.5-124.90.9114.8L276 R277 R278L276-R280 PolarHBondContact O-N 3.11Å; R277-R280 PolarHBondContact O-N 3.31Å; R278-R280 PolarHBondContact O-N 3.42Å
281L46.8Very low59.2Low143 Ų143128.4 Ų128.475%0.74971%0.711SS**  trans-104.648-174.9-68.7175.7000114R278R278-L281 PolarHBondContact O-N 3Å
282T41.1Very low56.3Low126 Ų126135.2 Ų135.277%0.77373%0.729SS**  trans-143.788168.229.90000112.1
283P43.8Very low53.3Low114 Ų114134.6 Ų134.674%0.7475%0.745SS**  trans-84.9119.4168.7-1.821.2000110.9
284T37.1Very low50.7Low128 Ų128138.3 Ų138.379%0.78577%0.765SS**  trans47.2119.7151.256.30000120.3
285L37.2Very low48.1Very low169 Ų169139.3 Ų139.389%0.88578%0.781SS**  -173.7154.1104.9-98.5176000112.9
286S33.2Very low45.7Very low129 Ų129142.3 Ų142.390%0.90279%0.791SS**  trans72.5150.9167.1-1550000119.6
287G31.4Very low43.2Very low75 Ų75143.2 Ų143.277%0.77380%0.795SS**  trans114.4110.3166.500000116.2
288R36.3Very low40.9Very low248 Ų248145.3 Ų145.394%0.93680%0.803SS**  trans-101.3146.6171.4-86.7-179.1163.2-157.5-2.2112.1
289S35.8Very low38.7Very low119 Ų119146.3 Ų146.383%0.83281%0.807SS**  trans21.7112.4148.1-500000121.7
290A32.7Very low37.3Very low98 Ų98147.8 Ų147.881%0.8181%0.807SS**  trans179.2152.6138.500000108.3
291S36.6Very low36.2Very low98 Ų98145.4 Ų145.469%0.68581%0.81SS**  cis164.5144-24.960.10000105.9
292R35.6Very low35.5Very low248 Ų248144 Ų14494%0.93681%0.812SS**  trans73.2156.4169.5-57.5175.7164.1-176.6-6.1117.9
293G32Very low35.1Very low72 Ų72147.9 Ų147.974%0.74281%0.813SS**  trans84.397.1-172.800000110.9
294D37.5Very low34.5Very low173 Ų173148 Ų14893%0.92580%0.803SS**  cis66.4135.745.5-162.725.8000114
295G34.4Very low34.2Very low67 Ų67151.5 Ų151.569%0.69180%0.802SS**  trans128.386.1-171.800000114.1
296E39.9Very low34.1Very low183 Ų183148 Ų14886%0.85579%0.792SS**  trans-62.3156.2160.9-53.5-170.1118.800110
297I34.2Very low34Very low141 Ų141150 Ų15072%0.72379%0.792SS**  -152.8133.679-82.9154.8000110.8R299I297-R299 HydrophobicContact CG2-CG 4.34Å
298R36.7Very low34Very low234 Ų234150.3 Ų150.388%0.88380%0.795SS**  trans-99.6111.6175.9-179.7-174.1-175.6-173.53.3110
299R30.4Very low33.9Very low225 Ų225150.1 Ų150.185%0.84979%0.794SS**  trans-135.8126164.3-77.4-162.8175.21012.7111.9I297I297-R299 HydrophobicContact CG2-CG 4.34Å
300S32.9Very low33.7Very low92 Ų92150 Ų15064%0.64379%0.788SS**  trans-138.7137.3-173.552.50000111.3
301L34.8Very low33.8Very low172 Ų172152.3 Ų152.390%0.90179%0.792SS**  trans53105.5147.1-56.5173.6000120.2
302S30.8Very low33.7Very low112 Ų112153.6 Ų153.678%0.78380%0.795SS**  trans-168.7123.6144.341.90000108.7
303R34.1Very low33.5Very low208 Ų208153.3 Ų153.379%0.78579%0.794SS**  74.3131.874.5-166.2-176.4-167.1171.79.5110.9
304E30.3Very low33.5Very low116 Ų116153.9 Ų153.954%0.54279%0.792SS.*  cis178170.9-5.3179.8-171.6-105.700105.9
305R32.4Very low33.4Very low202 Ų202156.8 Ų156.876%0.76279%0.79SS**  trans73.1155.9167.8-47.2-174-175-151.4-8.6116.2
306S34.2Very low33.2Very low97 Ų97159.6 Ų159.668%0.67880%0.799SS**  cis-165.9154.3-18.4-104.20000113.4
307L31.9Very low32.7Very low171 Ų171154.1 Ų154.190%0.89579%0.791SS**  trans53115145.4-59.3170.6000121.4
308G31.2Very low32.5Very low81 Ų81153 Ų15384%0.83580%0.797SS**  trans-87.6-163.6176.300000118
309R33.1Very low32.4Very low243 Ų243152.4 Ų152.492%0.91779%0.794SS**  trans-160.4143.3164.1-170.8167.9-70.2-119.62.5114
310V31.9Very low32.3Very low116 Ų116150 Ų15070%0.70379%0.792SS**  trans-39.2140.3169.8178.20000117.3V312V310-V312 HydrophobicContact CG1-CG2 4.27Å
311V34.8Very low32.2Very low148 Ų148156.6 Ų156.690%0.89780%0.803SS**  trans-142146.7137.5176.70000109.5
312V34.5Very low32.1Very low124 Ų124153 Ų15375%0.75279%0.789SS**  trans-121.8138.2179.7171.80000110.9V310V310-V312 HydrophobicContact CG1-CG2 4.27Å
313R32.3Very low32.1Very low242 Ų242156.3 Ų156.391%0.91379%0.792SS**  trans-158.2151.1148.9-140.6166.5-176.4133.51.1113
314A32.1Very low31.8Very low84 Ų84153.2 Ų153.269%0.69479%0.786SS**  trans-140.3155.4-176.500000112.6
315R33.6Very low31.8Very low235 Ų235158.5 Ų158.589%0.88780%0.801SS**  trans168129.6162.9-94.4153.8-170.8-160.20.1105.6
316S32.2Very low31.7Very low125 Ų125151.9 Ų151.987%0.87480%0.796SS**  cis64.212142.9-162.40000112.9
317G29.4Very low31.7Very low68 Ų68158.5 Ų158.570%0.70181%0.806SS**  cis162.1-179.4-3.600000112.3
318S29.9Very low31.7Very low119 Ų119161.6 Ų161.683%0.83281%0.806SS**  trans91.9150.3162.7-151.80000121.7
319R32.8Very low31.8Very low221 Ų221161.7 Ų161.783%0.83480%0.799SS**  trans71.595.9159.8-82.2173.8174.5166.5-1.4123.6
320E29.9Very low31.8Very low174 Ų174158.9 Ų158.981%0.81380%0.796SS**  38.6152.4111.1-64.1-169.112900125
321R30.9Very low31.6Very low230 Ų230156.2 Ų156.287%0.86879%0.792SS**  trans79.3155162.9-71.1-168.9179.5-156.5-0.8119
322T31Very low31.6Very low98 Ų98159.8 Ų159.860%0.60179%0.789SS**  cis178.2132.3-37.7-93.20000107.4
323E31.6Very low31.5Very low181 Ų181165.5 Ų165.585%0.84680%0.797SS**  trans59.7172.8166.3-78.5159.3-129.900116.9
324E28Very low31.5Very low142 Ų142158.1 Ų158.166%0.66479%0.788SS**  cis-155.4167-40.3-165-141.2-166.400106.7
325R30.4Very low31.4Very low227 Ų227161.4 Ų161.486%0.85779%0.794SS**  trans73.4147.4171.8-45177.8177.9-172.6-2.9116.2
326G29.6Very low31.4Very low63 Ų63154.9 Ų154.965%0.64978%0.784SS**  cis152.8164.8-11.900000113.9
327R35.4Very low31.6Very low236 Ų236154.5 Ų154.589%0.89178%0.781SS**  trans74.9124.3172.5-60.6-179.1-178-140.9-2.2113.9
328R31.8Very low31.7Very low236 Ų236154.6 Ų154.689%0.89178%0.783SS**  70138.573.3-73.2-174.8-177.6-171.31.6112.7
329A32.9Very low32.4Very low83 Ų83155 Ų15569%0.68678%0.782SS**  cis-168.7179.5-700000111
330E31.8Very low32.4Very low184 Ų184156.7 Ų156.786%0.8679%0.789SS**  trans65.7158.4164.6-63.3-169.1-179.900118.2
331G29.7Very low32.6Very low60 Ų60153.8 Ų153.862%0.61979%0.787SS**  cis163.6168.4-10.200000113.9
332R34Very low32.7Very low224 Ų224151.5 Ų151.585%0.84579%0.786SS**  trans76.3132179.1-52.2174.2-168.4-122.2-3.3113.3
333R31.8Very low33Very low244 Ų244153.7 Ų153.792%0.92180%0.799SS**  69.4129.753-67.2-173.6-173-177.92.8111.6
334A32.4Very low33.3Very low86 Ų86150.2 Ų150.271%0.71180%0.795SS**  cis-156.2-166.30.600000109.3
335D29.7Very low33.7Very low154 Ų154155 Ų15582%0.82481%0.807SS**  cis-162.8-164.23.7-144-61.8000110.5
336S33.9Very low34.2Very low98 Ų98150.3 Ų150.369%0.68581%0.806SS**  trans98.7128.7152.476.90000122.4
337S35.7Very low34.6Very low116 Ų116152.9 Ų152.981%0.81181%0.814SS**  trans40.5116.1153.7570000122.1
338G33.3Very low35.4Very low71 Ų71147.1 Ų147.173%0.73281%0.807SS**  trans-94.1-152.4140.700000110.7
339P44.1Very low35.5Very low126 Ų126141.2 Ų141.282%0.81880%0.802SS**  cis-132.6151.4-11.538.9-23.7000114
340R33.1Very low36.3Very low258 Ų258142.9 Ų142.997%0.97481%0.806SS**  trans-142.5151.4155.1-78.3-156.8173.7-136-5112
341S34.5Very low36.5Very low112 Ų112141.3 Ų141.378%0.78381%0.809SS**  trans-118.4127.6-164.846.10000112.8
342H32.5Very low37.1Very low182 Ų182141.7 Ų141.784%0.84381%0.813SS**  trans-160.5121.3144.2-134.9-94.7000111.2
343V37.8Very low37.6Very low144 Ų144136.9 Ų136.987%0.87381%0.814SS**  trans-133137166.8178.30000107.4
344S36.4Very low38.7Very low109 Ų109136.6 Ų136.676%0.76281%0.813SS**PPolyproline II helixtrans-67.9154.2-165.3-56.70000114.6
345R36.3Very low40Very low241 Ų241136.7 Ų136.791%0.90981%0.813SS**PPolyproline II helixtrans-59.5146.5174.8-78.1-178.7166.9-165.8-3.5112.3
346P41.1Very low41.9Very low130 Ų130135.4 Ų135.484%0.84481%0.814SS**PPolyproline II helixtrans-81.7155.6175.534.3-35.7000113
347S38.3Very low43.8Very low116 Ų116142.5 Ų142.581%0.81183%0.825SS**  trans-104.2159.916553.70000111.1
348P51.4Low45.8Very low115 Ų115144 Ų14475%0.74782%0.817SS**  trans-101.7142.9-162.836.6-33.6000116.2
349S35.2Very low48.1Very low112 Ų112144.4 Ų144.478%0.78380%0.803SS**  trans72.3157.5147.3-57.40000119.5
350P49Very low49.7Very low119 Ų119141.9 Ų141.977%0.77379%0.787SS**  -137.6112.3-5335.6-18.6000112.6
351T37.3Very low52.2Low150 Ų150133.7 Ų133.792%0.9277%0.765SS**  trans-86.9140.9171.6-49.20000110.8
352G40.5Very low54.6Low69 Ų69130.7 Ų130.771%0.71175%0.747SS**  trans-48.5136.8-166.900000116.2R354G352-R354 PolarHBondContact O-N 2.71Å; G352-R354 VanDerWaalsContact O-N 3.11Å
353S44.3Very low57.1Low122 Ų122128.5 Ų128.585%0.85373%0.733SS**  trans-59.7110.3-179.353.40000112A355S353-A355 PolarHBondContact O-N 2.97Å
354R56Low59.6Low239 Ų239126.1 Ų126.190%0.90271%0.714SS**PPolyproline II helixtrans-57.7136.2161.3-79.9-179.3165.3173.5-4.7108.9G352G352-R354 PolarHBondContact O-N 2.71Å; G352-R354 VanDerWaalsContact O-N 3.11Å
355A58.7Low62.2Low87 Ų87126.3 Ų126.372%0.71970%0.703SS**PPolyproline II helixtrans-55.7142.2170.600000109.9S353 R357S353-A355 PolarHBondContact O-N 2.97Å; A355-R357 PolarHBondContact O-N 3.24Å
356P71Confident64.8Low128 Ų128117.6 Ų117.683%0.83167%0.674SS**PPolyproline II helixtrans-59131.5-179.724.7-33.7000109.8F358P356-F358 PolarHBondContact O-N 3.11Å
357R73.7Confident67.1Low246 Ų246119.3 Ų119.393%0.92866%0.664SS**PPolyproline II helixtrans-63132.8179.8-164.1175.3-167.3-122.22.8108.7A355 D359A355-R357 PolarHBondContact O-N 3.24Å; R357-D359 PolarHBondContact O-N 3.2Å; R357-D359 VanDerWaalsContact O-N 3.14Å
358F78.3Confident69.6Low147 Ų147118.5 Ų118.565%0.64565%0.647SS**PPolyproline II helixtrans-52.3116.9-172.3178.3-100000112.5P356 P360 Y363P356-F358 PolarHBondContact O-N 3.11Å; F358-P360 HydrophobicContact CE1-CB 3.92Å; F358-Y363 HydrophobicContact CE2-CD1 4.36Å; F358-Y363 HydrophobicContact CE2-CD2 4.09Å; F358-Y363 AromaticContact CE2-CG 3.82Å; F358-Y363 HydrophobicContact CE2-CG 3.82Å; F358-Y363 AromaticContact CZ-CD1 3.89Å; F358-Y363 HydrophobicContact CZ-CD1 3.89Å; F358-Y363 HydrophobicContact CZ-CD2 4.44Å; F358-Y363 AromaticContact CZ-CG 3.77Å; F358-Y363 HydrophobicContact CZ-CG 3.77Å
359D80.1Confident71.5Confident81 Ų81120.5 Ų120.543%0.43364%0.64SS.*  trans-95.3109.2172.2177.5-8.9000108.7R357 T361 A362 Y363R357-D359 PolarHBondContact O-N 3.2Å; R357-D359 VanDerWaalsContact O-N 3.14Å; D359-T361 PolarHBondContact O-N 3.25Å; D359-T361 WeakPolarHBondContact OD1-CA 3.34Å; D359-T361 WeakPolarHBondContact OD1-CB 3.48Å; D359-T361 PolarHBondContact OD1-N 2.82Å; D359-T361 PolarHBondContact OD1-OG1 2.96Å; D359-A362 HydrophobicContact CB-CB 3.92Å; D359-A362 PolarHBondContact O-N 3.24Å; D359-A362 PolarHBondContact OD1-N 3.41Å; D359-A362 VanDerWaalsContact OD1-N 3.17Å; D359-Y363 PolarHBondContact O-N 3.18Å; D359-Y363 VanDerWaalsContact O-N 3.13Å
360P78.6Confident74.1Confident73 Ų73123 Ų12347%0.47463%0.632SS.*Hα-helixtrans-65.3-29.2-179.627.6-34.3000112.3F358 Y363 I364F358-P360 HydrophobicContact CE1-CB 3.92Å; P360-Y363 PolarHBondContact O-N 2.99Å; P360-I364 WeakPolarHBondContact O-CD1 3.36Å; P360-I364 VanDerWaalsContact O-CG1 3.26Å; P360-I364 WeakPolarHBondContact O-CG1 3.34Å; P360-I364 PolarHBondContact O-N 3.1Å
361T85.2Confident76Confident86 Ų86122.3 Ų122.353%0.52862%0.622SS.*Hα-helixtrans-68.5-47.2178.6-4.60000110.7D359 Y363 I364 Q365D359-T361 PolarHBondContact O-N 3.25Å; D359-T361 WeakPolarHBondContact OD1-CA 3.34Å; D359-T361 WeakPolarHBondContact OD1-CB 3.48Å; D359-T361 PolarHBondContact OD1-N 2.82Å; D359-T361 PolarHBondContact OD1-OG1 2.96Å; T361-Y363 VanDerWaalsContact C-N 3.33Å; T361-Y363 PolarHBondContact O-N 3.45Å; T361-I364 PolarHBondContact O-N 3.45Å; T361-Q365 WeakPolarHBondContact O-CG 3.22Å; T361-Q365 PolarHBondContact O-N 3.27Å
362A84.2Confident78.5Confident49 Ų49122 Ų12241%0.40560%0.604SS.*Hα-helixtrans-61.4-40.5174.300000112.1D359 Q365 D366D359-A362 HydrophobicContact CB-CB 3.92Å; D359-A362 PolarHBondContact O-N 3.24Å; D359-A362 PolarHBondContact OD1-N 3.41Å; D359-A362 VanDerWaalsContact OD1-N 3.17Å; A362-Q365 PolarHBondContact O-N 2.94Å; A362-D366 PolarHBondContact O-N 3.42Å
363Y85.9Confident80.7Confident136 Ų136123.2 Ų123.253%0.53359%0.59SS.*Hα-helixtrans-62.9-44176.7178.3-108.2000112.8F358 D359 P360 T361 Q365 D366 R367F358-Y363 HydrophobicContact CE2-CD1 4.36Å; F358-Y363 HydrophobicContact CE2-CD2 4.09Å; F358-Y363 AromaticContact CE2-CG 3.82Å; F358-Y363 HydrophobicContact CE2-CG 3.82Å; F358-Y363 AromaticContact CZ-CD1 3.89Å; F358-Y363 HydrophobicContact CZ-CD1 3.89Å; F358-Y363 HydrophobicContact CZ-CD2 4.44Å; F358-Y363 AromaticContact CZ-CG 3.77Å; F358-Y363 HydrophobicContact CZ-CG 3.77Å; D359-Y363 PolarHBondContact O-N 3.18Å; D359-Y363 VanDerWaalsContact O-N 3.13Å; P360-Y363 PolarHBondContact O-N 2.99Å; T361-Y363 VanDerWaalsContact C-N 3.33Å; T361-Y363 PolarHBondContact O-N 3.45Å; Y363-Q365 VanDerWaalsContact C-N 3.34Å; Y363-Q365 PolarHBondContact O-N 3.49Å; Y363-D366 PolarHBondContact O-N 3.06Å; Y363-R367 WeakPolarHBondContact O-CB 3.49Å; Y363-R367 PolarHBondContact O-N 3.14Å
364I90.5Very high82.9Confident94 Ų94118.9 Ų118.948%0.48257%0.565SS.*Hα-helixtrans-63.3-41175.9-69.8164000110.8P360 T361 R367 Q368P360-I364 WeakPolarHBondContact O-CD1 3.36Å; P360-I364 VanDerWaalsContact O-CG1 3.26Å; P360-I364 WeakPolarHBondContact O-CG1 3.34Å; P360-I364 PolarHBondContact O-N 3.1Å; T361-I364 PolarHBondContact O-N 3.45Å; I364-R367 PolarHBondContact O-N 3.04Å; I364-Q368 WeakPolarHBondContact O-CG 3.31Å; I364-Q368 PolarHBondContact O-N 2.95Å
365Q91Very high84.4Confident112 Ų112112.9 Ų112.952%0.52355%0.547SS..Hα-helixtrans-64.9-42.3177.3-71178.122.800112.7T361 A362 Y363 Q368 R369T361-Q365 WeakPolarHBondContact O-CG 3.22Å; T361-Q365 PolarHBondContact O-N 3.27Å; A362-Q365 PolarHBondContact O-N 2.94Å; Y363-Q365 VanDerWaalsContact C-N 3.34Å; Y363-Q365 PolarHBondContact O-N 3.49Å; Q365-Q368 PolarHBondContact O-N 3.44Å; Q365-R369 WeakPolarHBondContact O-CB 3.4Å; Q365-R369 PolarHBondContact O-N 2.86Å
366D90.1Very high85.7Confident58 Ų58113.1 Ų113.131%0.3154%0.536SS..Hα-helixtrans-68.5-37.2176.2-165.452.3000112A362 Y363 Q368 R369 R370A362-D366 PolarHBondContact O-N 3.42Å; Y363-D366 PolarHBondContact O-N 3.06Å; D366-Q368 PolarHBondContact O-N 3.2Å; D366-R369 WeakPolarHBondContact O-CB 3.37Å; D366-R369 PolarHBondContact O-N 2.89Å; D366-R369 IonicContact OD1-NE 2.86Å; D366-R370 WeakPolarHBondContact O-CG 3.4Å; D366-R370 PolarHBondContact O-N 3.36Å; D366-R370 IonicContact OD1-NE 3.57Å; D366-R370 IonicContact OD2-CZ 3.65Å; D366-R370 IonicContact OD2-NE 3.58Å; D366-R370 PolarHBondContact OD2-NE 3.42Å; D366-R370 IonicContact OD2-NH2 2.76Å; D366-R370 PolarHBondContact OD2-NH2 2.83Å
367R89.8Confident86.4Confident167 Ų167112.5 Ų112.563%0.6352%0.52SS*.Hα-helixtrans-59.1-46.1172.3-171.3179.7-179.3-155.3-0.3111.7Y363 I364 R369 R370 L371Y363-R367 WeakPolarHBondContact O-CB 3.49Å; Y363-R367 PolarHBondContact O-N 3.14Å; I364-R367 PolarHBondContact O-N 3.04Å; R367-R369 VanDerWaalsContact C-N 3.34Å; R367-R369 PolarHBondContact O-N 3.37Å; R367-R370 PolarHBondContact O-N 3.1Å; R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 3.48Å
368Q91.1Very high86.8Confident99 Ų99105.3 Ų105.346%0.46350%0.5SS..Hα-helixtrans-68.2-29.3175.5-73-176.1-1.900113.7I364 Q365 D366 R372I364-Q368 WeakPolarHBondContact O-CG 3.31Å; I364-Q368 PolarHBondContact O-N 2.95Å; Q365-Q368 PolarHBondContact O-N 3.44Å; D366-Q368 PolarHBondContact O-N 3.2Å; Q368-R372 PolarHBondContact O-N 2.88Å; Q368-R372 PolarHBondContact O-NE 3.26Å; Q368-R372 VanDerWaalsContact O-NE 3.14Å
369R91.9Very high87Confident156 Ų156104.1 Ų104.159%0.58950%0.497SS*.Hα-helixtrans-66.9-48.4174.9-174-170.2-58.7-115.10.1110.7Q365 D366 R367 L371 R372 E373Q365-R369 WeakPolarHBondContact O-CB 3.4Å; Q365-R369 PolarHBondContact O-N 2.86Å; D366-R369 WeakPolarHBondContact O-CB 3.37Å; D366-R369 PolarHBondContact O-N 2.89Å; D366-R369 IonicContact OD1-NE 2.86Å; R367-R369 VanDerWaalsContact C-N 3.34Å; R367-R369 PolarHBondContact O-N 3.37Å; R369-L371 PolarHBondContact O-N 2.98Å; R369-R372 PolarHBondContact O-N 2.6Å; R369-E373 PolarHBondContact O-N 3.05Å
370R89.8Confident87Confident165 Ų165109.4 Ų109.462%0.62351%0.511SS*.Hα-helixtrans-63.2-38.3179.4-69.6174.7-168.1-93.9-6.5113.2D366 R367 E373 G374D366-R370 WeakPolarHBondContact O-CG 3.4Å; D366-R370 PolarHBondContact O-N 3.36Å; D366-R370 IonicContact OD1-NE 3.57Å; D366-R370 IonicContact OD2-CZ 3.65Å; D366-R370 IonicContact OD2-NE 3.58Å; D366-R370 PolarHBondContact OD2-NE 3.42Å; D366-R370 IonicContact OD2-NH2 2.76Å; D366-R370 PolarHBondContact OD2-NH2 2.83Å; R367-R370 PolarHBondContact O-N 3.1Å; R370-E373 PolarHBondContact O-N 3.05Å; R370-G374 PolarHBondContact O-N 3.38Å
371L88.8Confident86.8Confident105 Ų105112 Ų11255%0.5551%0.514SS..Hα-helixtrans-61.4-51.7175.3-72.6168.7000111.2R367 R369 E373 G374 E375R367-L371 WeakPolarHBondContact O-CG 3.47Å; R367-L371 PolarHBondContact O-N 3.48Å; R369-L371 PolarHBondContact O-N 2.98Å; L371-E373 VanDerWaalsContact C-N 3.31Å; L371-E373 PolarHBondContact O-N 3.05Å; L371-G374 WeakPolarHBondContact O-CA 3.44Å; L371-G374 PolarHBondContact O-N 3.27Å; L371-E375 WeakPolarHBondContact O-CG 3.15Å; L371-E375 PolarHBondContact O-N 3.35Å
372R89Confident86.4Confident144 Ų144111.9 Ų111.954%0.54351%0.513SS..Hα-helixtrans-60.4-36.5176.7-76.2-179.6-83.9175-15113.2Q368 R369 L376Q368-R372 PolarHBondContact O-N 2.88Å; Q368-R372 PolarHBondContact O-NE 3.26Å; Q368-R372 VanDerWaalsContact O-NE 3.14Å; R369-R372 PolarHBondContact O-N 2.6Å; R372-L376 WeakPolarHBondContact O-CG 3.12Å; R372-L376 PolarHBondContact O-N 2.85Å
373E87.8Confident85.8Confident93 Ų93118.9 Ų118.944%0.43553%0.529SS..Hα-helixtrans-66.5-38.1173.8-161.4-163.4139.200112.2R369 R370 L371 K377R369-E373 PolarHBondContact O-N 3.05Å; R370-E373 PolarHBondContact O-N 3.05Å; L371-E373 VanDerWaalsContact C-N 3.31Å; L371-E373 PolarHBondContact O-N 3.05Å; E373-K377 HydrophobicContact CG-CD 4.49Å; E373-K377 WeakPolarHBondContact O-CB 3.31Å; E373-K377 WeakPolarHBondContact O-CG 3.37Å; E373-K377 PolarHBondContact O-N 2.93Å; E373-K377 VanDerWaalsContact OE1-CE 3.27Å; E373-K377 WeakPolarHBondContact OE1-CE 3.37Å; E373-K377 IonicContact OE1-NZ 3.14Å; E373-K377 PolarHBondContact OE1-NZ 3.11Å
374G89Confident84.9Confident31 Ų31121.9 Ų121.932%0.3254%0.54SS..Hα-helixtrans-64.2-44.517400000112.9R370 L371 K377 N378R370-G374 PolarHBondContact O-N 3.38Å; L371-G374 WeakPolarHBondContact O-CA 3.44Å; L371-G374 PolarHBondContact O-N 3.27Å; G374-K377 PolarHBondContact O-N 2.89Å; G374-N378 PolarHBondContact O-N 3.48Å
375E87.4Confident83.6Confident113 Ų113122.4 Ų122.453%0.52854%0.544SS..Hα-helixtrans-60.1-49.1175.2-71167.1169.300111.5L371 K377 N378 Q379L371-E375 WeakPolarHBondContact O-CG 3.15Å; L371-E375 PolarHBondContact O-N 3.35Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 3.2Å; E375-N378 PolarHBondContact O-N 3.32Å; E375-N378 VanDerWaalsContact O-N 3.1Å; E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 3.14Å
376L86.8Confident82.3Confident93 Ų93124.4 Ų124.449%0.48756%0.555SS.*Hα-helixtrans-61.9-34.7176.1-71.9169.9000112.6R372 R380R372-L376 WeakPolarHBondContact O-CG 3.12Å; R372-L376 PolarHBondContact O-N 2.85Å; L376-R380 VanDerWaalsContact O-CG 3.26Å; L376-R380 WeakPolarHBondContact O-CG 3.4Å; L376-R380 PolarHBondContact O-N 3.41Å; L376-R380 VanDerWaalsContact O-N 3.12Å
377K84.9Confident81Confident114 Ų114128.4 Ų128.450%0.49658%0.575SS.*Hα-helixtrans-68.4-38.1172.9-80.4169.8169.8172.40112.2E373 G374 E375 R380 K381E373-K377 HydrophobicContact CG-CD 4.49Å; E373-K377 WeakPolarHBondContact O-CB 3.31Å; E373-K377 WeakPolarHBondContact O-CG 3.37Å; E373-K377 PolarHBondContact O-N 2.93Å; E373-K377 VanDerWaalsContact OE1-CE 3.27Å; E373-K377 WeakPolarHBondContact OE1-CE 3.37Å; E373-K377 IonicContact OE1-NZ 3.14Å; E373-K377 PolarHBondContact OE1-NZ 3.11Å; G374-K377 PolarHBondContact O-N 2.89Å; E375-K377 VanDerWaalsContact C-N 3.29Å; E375-K377 PolarHBondContact O-N 3.2Å; K377-R380 PolarHBondContact O-N 3.02Å; K377-K381 WeakPolarHBondContact O-CG 3.26Å; K377-K381 PolarHBondContact O-N 3.5Å; K377-K381 VanDerWaalsContact O-N 3.13Å
378N82.9Confident79.2Confident95 Ų95124 Ų12451%0.50858%0.575SS.*Hα-helixtrans-70.7-41.7175.7-77.3-8.9000112.1G374 E375 R380 K381 V382G374-N378 PolarHBondContact O-N 3.48Å; E375-N378 PolarHBondContact O-N 3.32Å; E375-N378 VanDerWaalsContact O-N 3.1Å; N378-R380 VanDerWaalsContact C-N 3.27Å; N378-R380 PolarHBondContact O-N 3.4Å; N378-K381 WeakPolarHBondContact O-CB 3.46Å; N378-K381 PolarHBondContact O-N 2.78Å; N378-V382 WeakPolarHBondContact O-CG2 3.42Å; N378-V382 PolarHBondContact O-N 3.45Å
379Q82.1Confident76.8Confident123 Ų123124.6 Ų124.658%0.57559%0.59SS**Hα-helixtrans-57.8-39.7172.6-70.5174.910.300111.9E375 R383E375-Q379 WeakPolarHBondContact O-CG 3.45Å; E375-Q379 PolarHBondContact O-N 3.14Å; Q379-R383 WeakPolarHBondContact O-CB 3.22Å; Q379-R383 PolarHBondContact O-N 3.47Å
380R80.5Confident74.9Confident192 Ų192123.1 Ų123.173%0.72560%0.601SS**Hα-helixtrans-66.6-32.3174.2-73.7172.9-175.9-160.31.5113.6L376 K377 N378 R384L376-R380 VanDerWaalsContact O-CG 3.26Å; L376-R380 WeakPolarHBondContact O-CG 3.4Å; L376-R380 PolarHBondContact O-N 3.41Å; L376-R380 VanDerWaalsContact O-N 3.12Å; K377-R380 PolarHBondContact O-N 3.02Å; N378-R380 VanDerWaalsContact C-N 3.27Å; N378-R380 PolarHBondContact O-N 3.4Å; R380-R384 WeakPolarHBondContact O-CB 3.27Å; R380-R384 PolarHBondContact O-N 3.13Å
381K74.9Confident72.3Confident127 Ų127122.2 Ų122.255%0.55261%0.613SS**Hα-helixtrans-69.3-55.6171.9-71.8176.3179.4178.90110.8K377 N378 R383 R384 D385K377-K381 WeakPolarHBondContact O-CG 3.26Å; K377-K381 PolarHBondContact O-N 3.5Å; K377-K381 VanDerWaalsContact O-N 3.13Å; N378-K381 WeakPolarHBondContact O-CB 3.46Å; N378-K381 PolarHBondContact O-N 2.78Å; K381-R383 PolarHBondContact O-N 2.74Å; K381-R383 VanDerWaalsContact O-N 3.17Å; K381-R384 CarbonylContact O-C 3.58Å; K381-R384 WeakPolarHBondContact O-CA 3.38Å; K381-R384 VanDerWaalsContact O-CB 3.32Å; K381-R384 WeakPolarHBondContact O-CB 3.34Å; K381-R384 PolarHBondContact O-N 3.42Å; K381-D385 PolarHBondContact O-N 3.5Å; K381-D385 VanDerWaalsContact O-OD2 3.12Å
382V76.2Confident70.1Confident83 Ų83124.7 Ų124.750%0.50363%0.626SS.*Hα-helixtrans-53.7-42.3178.6175.70000111.4N378 R384 D385 M386N378-V382 WeakPolarHBondContact O-CG2 3.42Å; N378-V382 PolarHBondContact O-N 3.45Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 3.35Å; V382-D385 PolarHBondContact O-N 3.21Å; V382-M386 HydrophobicContact CG1-CE 4.42Å; V382-M386 HydrophobicContact CG1-CG 4.18Å; V382-M386 VanDerWaalsContact O-CB 3.27Å; V382-M386 WeakPolarHBondContact O-CB 3.5Å; V382-M386 WeakPolarHBondContact O-CG 3.35Å; V382-M386 PolarHBondContact O-N 2.97Å
383R72.2Confident67.7Low196 Ų196126.5 Ų126.574%0.7464%0.641SS**Hα-helixtrans-68-26.4175.6-173.3170.4180161.81.7114.2Q379 K381 L387Q379-R383 WeakPolarHBondContact O-CB 3.22Å; Q379-R383 PolarHBondContact O-N 3.47Å; K381-R383 PolarHBondContact O-N 2.74Å; K381-R383 VanDerWaalsContact O-N 3.17Å; R383-L387 WeakPolarHBondContact O-CD1 3.38Å; R383-L387 WeakPolarHBondContact O-CG 3.41Å
384R67.3Low65.1Low199 Ų199133.8 Ų133.875%0.75166%0.664SS**Hα-helixtrans-76.5-43173178.8-179.3179.1129.81.8110.9R380 K381 V382 L387R380-R384 WeakPolarHBondContact O-CB 3.27Å; R380-R384 PolarHBondContact O-N 3.13Å; K381-R384 CarbonylContact O-C 3.58Å; K381-R384 WeakPolarHBondContact O-CA 3.38Å; K381-R384 VanDerWaalsContact O-CB 3.32Å; K381-R384 WeakPolarHBondContact O-CB 3.34Å; K381-R384 PolarHBondContact O-N 3.42Å; V382-R384 VanDerWaalsContact C-N 3.33Å; V382-R384 PolarHBondContact O-N 3.35Å; R384-L387 PolarHBondContact O-N 3.49Å
385D62.5Low62.5Low106 Ų106135.8 Ų135.857%0.56769%0.685SS**Hα-helixtrans-72-35.5-175.9-54-29.8000110.7K381 V382 L387 A388K381-D385 PolarHBondContact O-N 3.5Å; K381-D385 VanDerWaalsContact O-OD2 3.12Å; V382-D385 PolarHBondContact O-N 3.21Å; D385-L387 PolarHBondContact O-N 3.41Å; D385-A388 PolarHBondContact O-N 3Å
386M64.1Low59.9Low153 Ų153141.9 Ų141.975%0.75470%0.703SS**THydrogen-bonded Turntrans-66.3-9171.3-72.1-75.3-177.100114.9V382V382-M386 HydrophobicContact CG1-CE 4.42Å; V382-M386 HydrophobicContact CG1-CG 4.18Å; V382-M386 VanDerWaalsContact O-CB 3.27Å; V382-M386 WeakPolarHBondContact O-CB 3.5Å; V382-M386 WeakPolarHBondContact O-CG 3.35Å; V382-M386 PolarHBondContact O-N 2.97Å
387L61.8Low57.5Low142 Ų142142.9 Ų142.974%0.74372%0.718SS**THydrogen-bonded Turntrans-103.76.5176.3-70.1172.4000112.7R383 R384 D385R383-L387 WeakPolarHBondContact O-CD1 3.38Å; R383-L387 WeakPolarHBondContact O-CG 3.41Å; R384-L387 PolarHBondContact O-N 3.49Å; D385-L387 PolarHBondContact O-N 3.41Å
388A52.4Low55.1Low76 Ų76148.8 Ų148.863%0.62874%0.737SS**  trans-111.667.6-174.700000112.7D385D385-A388 PolarHBondContact O-N 3Å
389S40.5Very low52.8Low111 Ų111149.6 Ų149.678%0.77675%0.75SS**  trans-73.7138.6168.8-66.20000111.5
390P51.5Low50.5Low125 Ų125155.2 Ų155.281%0.81277%0.766SS**  trans-85.1138.7-176.333.2-34.6000112.9
391V35.9Very low48.2Very low146 Ų146154.5 Ų154.589%0.88577%0.771SS**  trans-135.3153.8167.3-179.10000109.3
392L41.5Very low46.2Very low157 Ų157153.1 Ų153.182%0.82278%0.783SS**  trans-73.2166.4-158.6-68.9160.8000116.8
393E39.5Very low44Very low181 Ų181160.6 Ų160.685%0.84680%0.804SS**  trans-7.9133.6162.5-54.1-175.9114.800119.8
394R33Very low43.2Very low247 Ų247156 Ų15693%0.93280%0.8SS**  -159.5128.4117.7-127.8170.7-176.8151.24113.2
395G35.3Very low41.6Very low73 Ų73154.9 Ų154.975%0.75380%0.803SS**  trans-82.1148.5167.600000112.1
396R31.4Very low40.3Very low241 Ų241156.7 Ų156.791%0.90981%0.812SS**  trans-157.8115.6161.9-132.1179.9-169.6-169.44112.9
397S37.8Very low38.9Very low114 Ų114155.8 Ų155.880%0.79782%0.815SS**  trans-74.4143.8164.5-38.10000110.3
398R33.5Very low37.5Very low237 Ų237160.4 Ų160.489%0.89482%0.823SS**  trans-163.4140.7145.9-113.5167.7-165.3-149-0.9112.5
399S34.1Very low36.4Very low113 Ų113161.7 Ų161.779%0.7983%0.833SS**  trans-87.1156.4175.5440000112.1
400R34.5Very low35.9Very low240 Ų240160 Ų16091%0.90683%0.834SS**  trans-162.3148.7142.4-127.9-178.9-179.7-164.2-2.4111.6
401E32.6Very low35Very low177 Ų177160.3 Ų160.383%0.82784%0.839SS**  trans-83.7161.7176.9-50.3104.1130.300113.6
402A32.6Very low34.8Very low99 Ų99157 Ų15782%0.81883%0.834SS**  trans-149.7137.5155.800000109.4
403Y30.3Very low34.6Very low239 Ų239155.4 Ų155.494%0.93784%0.836SS**  trans-90.4159.9178.7-129.9-122.5000111.1
404P55Low34.4Very low100 Ų100158.6 Ų158.665%0.64984%0.84SS**  trans-95.1161.9-163.737.1-35.2000114.6
405Q33.9Very low34.4Very low176 Ų176150.7 Ų150.782%0.82284%0.836SS**  trans-142.2169.7161-92.6-54.9-19.900113.5
406L35.1Very low34.3Very low143 Ų143158.6 Ų158.675%0.74984%0.843SS**  trans-99169.8-155.2-68159.1000116.4
407T35.2Very low34.3Very low134 Ų134151.4 Ų151.482%0.82283%0.83SS**  trans109.8122.2144.572.40000121.7
408R31.1Very low33.9Very low239 Ų239153.8 Ų153.890%0.90283%0.832SS**  75.892.9129.8-156.5172.9-149.6159.75.4122.2
409A30.9Very low33.7Very low103 Ų103146.7 Ų146.785%0.85182%0.819SS**  44.3130.1127.100000122.4
410G29.1Very low33.9Very low77 Ų77148.7 Ų148.779%0.79482%0.82SS**  trans173.6114.6159.500000116.7
411S33.4Very low33.8Very low131 Ų131145.7 Ų145.792%0.91682%0.816SS**  trans39.1121.7155.9-151.60000121.7
412G31.2Very low33.6Very low75 Ų75142 Ų14277%0.77381%0.81SS**  trans-78.9-178.1-178.900000117.9
413S36Very low33.6Very low124 Ų124148 Ų14887%0.86781%0.811SS**  trans-151.2163.9158.8-1670000111.8
414R36.7Very low33.7Very low249 Ų249147.9 Ų147.994%0.9481%0.809SS**  trans-72.2132.2-175.7-64.1155.8165.7148.7-7.4111.3
415G31.6Very low32.5Very low81 Ų81148.5 Ų148.584%0.83582%0.816SS**  trans-139.897.9175.800000112.5
416R33.5Very low32.4Very low238 Ų238149.4 Ų149.490%0.89881%0.812SS**  trans-73.9139176.2-91.4179.3169.5177.6-4.6111.9
417S32.1Very low32.1Very low91 Ų91150.5 Ų150.564%0.63681%0.813SS**  trans61.1129.3131.2-56.90000121.1
418L29Very low31.8Very low163 Ų163149.2 Ų149.285%0.85381%0.81SS**  trans67.3144.3133.8-62.4174.2000117.6
419S30.6Very low31.8Very low89 Ų89143.1 Ų143.162%0.62280%0.804SS**  cis-176.2-166.42.443.20000109.8
420I36.8Very low31.6Very low155 Ų155144.2 Ų144.280%0.79580%0.799SS**  trans86.1109.7156.9-65.7159.2000116.6
421E33.8Very low31.4Very low177 Ų177147.7 Ų147.783%0.82780%0.8SS**  trans-65.4161.9165.3-53.4130.196.100112.8
422S28.2Very low31.1Very low100 Ų100146.5 Ų146.570%0.69979%0.791SS**  trans-162.3136.9144.8-120.80000115.2
423R32.2Very low30.9Very low225 Ų225150.7 Ų150.785%0.84980%0.795SS**  trans75120156.1-59.3179.1-169.5-138.3-4115.3
424R31.7Very low30.7Very low235 Ų235150.9 Ų150.989%0.88779%0.791SS**  89.9100.754.1-83.7-172.4170.3-156.1-0.4113.1
425S31.2Very low30.3Very low113 Ų113148.1 Ų148.179%0.7979%0.788SS**  trans-141.7138.4131.3-152.30000106.1
426R31.9Very low30.3Very low196 Ų196151.6 Ų151.674%0.7479%0.787SS**  cis72.4110.637.3-85.2-167.5166-146.41.2115.7
427Q28.1Very low30.2Very low165 Ų165146.8 Ų146.877%0.77178%0.779SS**  trans78.8144.2143.9-68.8166.1-90.400119.3
428S28.3Very low30.1Very low108 Ų108149.8 Ų149.876%0.75578%0.783SS**  trans-125.1151.1-161.950.10000111.2
429S30.6Very low30.2Very low111 Ų111150.4 Ų150.478%0.77679%0.786SS**  trans-152.3100.5165.6-51.40000107.7
430V27Very low30.1Very low125 Ų125151.3 Ų151.376%0.75879%0.789SS**  73.6152.590.4-61.90000116.5
431N26.6Very low29.8Very low150 Ų150151.9 Ų151.980%0.80279%0.792SS**  trans73157174.3-61.56.5000115.7
432S27.1Very low29.4Very low106 Ų106147.1 Ų147.174%0.74179%0.79SS**  cis179.8157.8-17.251.20000107.3
433L25.6Very low29.3Very low164 Ų164146.2 Ų146.286%0.85980%0.796SS**  cis-160.9-169.1-10166.1143000106.5
434V31.8Very low29.3Very low127 Ų127146.9 Ų146.977%0.7780%0.798SS**  trans-79.9145.6-174.9-810000117.2
435E28.8Very low29.3Very low191 Ų191145 Ų14589%0.89380%0.797SS**  trans-158.4133.7144.2-100.9174.1165.200104.9
436L31.4Very low29.3Very low154 Ų154148.4 Ų148.481%0.80680%0.8SS**  cis85.67917.1-162.468.6000117
437D31.7Very low29.3Very low138 Ų138144.5 Ų144.574%0.73880%0.798SS**  -167.3133.8116.5-99-8.9000108
438E28.9Very low29.3Very low154 Ų154147.9 Ų147.972%0.7281%0.805SS**  69.1101.272.4-170.2165.9-101.700114.8
439L32Very low29.4Very low175 Ų175149.9 Ų149.992%0.91681%0.808SS**  trans-148.6153.3131.4-85.6-166.8000109.3
440T28.6Very low29.2Very low109 Ų109148.1 Ų148.167%0.66981%0.807SS**  trans-109.1169.2-167.655.30000113.3
441I29.9Very low30.1Very low167 Ų167147.8 Ų147.886%0.85681%0.807SS**  163.4135.7128.1-84155.9000111.8
442G26.9Very low30.4Very low77 Ų77147 Ų14779%0.79481%0.809SS**  trans83.3112.9156.100000117.5
443G26.1Very low30.8Very low80 Ų80149.9 Ų149.983%0.82581%0.812SS**  cis111.382.4-8.600000115.5
444R30.9Very low31.9Very low239 Ų239147.5 Ų147.590%0.90281%0.807SS**  trans-154.2125.3155-135.2175.2-172.1179.82.5112.3
445K32.5Very low31.8Very low196 Ų196153.2 Ų153.285%0.85281%0.814SS**  trans-109.3152.7163.3-71-179.4177.4178.20108.5
446Q31.6Very low31.7Very low185 Ų185147.8 Ų147.886%0.86481%0.81SS**  trans-141.5146.5154-103.4178.1-900109.4
447T30.4Very low31.6Very low113 Ų113144.1 Ų144.169%0.69381%0.809SS**  trans-139.6144.5-169.347.40000109.5
448Y28.5Very low31.5Very low236 Ų236144.8 Ų144.893%0.92581%0.813SS**  trans-145.1153.9164.9-114.7-87.1000111.1
449N30.1Very low31.8Very low150 Ų150144.6 Ų144.680%0.80282%0.816SS**  trans-115.7128-161.8-63.7-38.6000114.4
450G26.1Very low31.7Very low74 Ų74141.9 Ų141.976%0.76381%0.806SS**  trans59.4-170.7141.500000120.7
451P47.5Very low31.9Very low118 Ų118148.4 Ų148.477%0.76682%0.819SS**  cis-141172.4-6.744.2-28.1000117
452T31.4Very low32.2Very low135 Ų135147.7 Ų147.783%0.82881%0.81SS**  trans79.9141.6150.9-42.10000122.5
453M36.8Very low33Very low166 Ų166150.4 Ų150.482%0.81881%0.813SS**  trans-81.3-165.7-177.2-57.3-80.5-82.900112.6
454P48.2Very low33.1Very low114 Ų114154.2 Ų154.274%0.7481%0.809SS**  cis-148.1-177.45.340-17.1000119.7
455R29.9Very low33Very low246 Ų246148.3 Ų148.393%0.92880%0.803SS**  112.3127.8128.1-157.7179.3-164.9-171.85.1120.8
456G27.3Very low33Very low78 Ų78143.6 Ų143.680%0.80480%0.795SS**  trans95.3151.1153.500000116.3
457G27.7Very low33.1Very low76 Ų76141 Ų14178%0.78479%0.792SS**  cis165.7112.5-5.500000112.6
458N30.3Very low33.6Very low152 Ų152140.9 Ų140.981%0.81379%0.793SS**  trans-56.2154.2-172.7-56.9-20.9000115.7
459L34.4Very low33.7Very low150 Ų150136.5 Ų136.579%0.78579%0.791SS**  169133.3103-85.3175.1000116
460T30.4Very low34Very low118 Ų118141 Ų14172%0.72480%0.797SS**  trans54.3128.2144.159.70000123.4
461R33.1Very low34.3Very low247 Ų247148.8 Ų148.893%0.93280%0.803SS**  -156.3155.6100.9-106.3178.9-178.2-157.5-0.5111.7
462K37Very low33.7Very low152 Ų152151 Ų15166%0.66181%0.807SS**  trans-105.1168.9177.6-58.3-178.2-179.71710110.7H464K462-H464 PolarHBondContact NZ-NE2 3.42Å
463P42Very low33.8Very low133 Ų133155.4 Ų155.486%0.86481%0.808SS**  -130.6-175.799.236.5-27.4000114.2
464H29.5Very low33.6Very low160 Ų160152.6 Ų152.674%0.74181%0.805SS**  trans-122.9172.4-167.7-81.6-78.4000113.2K462K462-H464 PolarHBondContact NZ-NE2 3.42Å
465C28.6Very low33.1Very low115 Ų115154 Ų15478%0.77781%0.807SS**  trans75.8148.5166.2-570000116.8
466S32.4Very low33.4Very low98 Ų98152.1 Ų152.169%0.68581%0.805SS**  cis-169.4154.5-15.5-92.30000109.4
467T33.1Very low33.8Very low130 Ų130158 Ų15880%0.79881%0.812SS**  cis-139-82-11160000113.5
468P40.8Very low34.6Very low111 Ų111158.4 Ų158.472%0.72182%0.816SS**  trans-130.3140.7-154.337.5-17.2000118.1
469T32Very low35.2Very low143 Ų143156.1 Ų156.188%0.87781%0.811SS**  trans-153.7138.6147.2-27.50000110.4R471T469-R471 PolarHBondContact O-N 3.49Å
470R36.4Very low36.1Very low244 Ų244155.1 Ų155.192%0.92181%0.805SS**  trans-65.9128.1177.5-72.2-177.9171.4-157.3-2.3110.7
471R31Very low37.2Very low238 Ų238155 Ų15590%0.89880%0.8SS**  trans-135.9121.1152-74.8-165.1178.4-157.10.2109.2T469T469-R471 PolarHBondContact O-N 3.49Å
472I36.4Very low38.3Very low165 Ų165145.7 Ų145.785%0.84678%0.781SS**  trans-67.1133.3162-65.2165.3000106.4
473R32.5Very low39.4Very low228 Ų228141.8 Ų141.886%0.8678%0.777SS**  trans-118.6128.6165.6-88-177163.9172.2-6.1107
474S33.1Very low40.5Very low107 Ų107139.5 Ų139.575%0.74876%0.758SS**  trans-133.786.7177.352.60000107.5
475D37.7Very low42.3Very low144 Ų144136.5 Ų136.577%0.7775%0.747SS**  trans-127.5144.7168-71.1-58.7000106.6
476K35.4Very low44.7Very low206 Ų206134.8 Ų134.890%0.89674%0.736SS**  trans79.287.9-173.7-53.6180173.8-172.40116.2
477E35.7Very low47.3Very low202 Ų202136.4 Ų136.494%0.94473%0.733SS**  trans-80.7162.5134.2-66.2176.3144.500108.6
478G45.6Very low49.6Very low84 Ų84134.6 Ų134.687%0.86672%0.717SS**  trans122.814.3175.300000117.3
479S43.1Very low51.9Low103 Ų103134.4 Ų134.472%0.7271%0.71SS**  trans-149.5108.9162-171.40000108.4
480I53.1Low54.6Low129 Ų129130.6 Ų130.666%0.66269%0.693SS**  trans-87.1116.6175.6-63172.8000107.2D484 L485I480-D484 HydrophobicContact CG2-CB 4.16Å; I480-L485 HydrophobicContact CG2-CG 4.45Å
481D53.6Low57.1Low116 Ų116127.9 Ų127.962%0.6268%0.683SS**  trans-79.2146.3173-81.6-33.8000110A483 D484D481-A483 PolarHBondContact O-N 2.97Å; D481-D484 PolarHBondContact O-N 3.33Å
482G55.7Low59.9Low52 Ų52120.6 Ų120.654%0.53666%0.661SS.*Hα-helixtrans-62.8-6.4-173.500000116.1S486G482-S486 PolarHBondContact O-OG 3.37Å
483A59.3Low62.6Low69 Ų69117 Ų11757%0.5764%0.641SS**Hα-helixtrans-66.8-41170.600000111.8D481 L485 S486 E487D481-A483 PolarHBondContact O-N 2.97Å; A483-L485 PolarHBondContact O-N 2.61Å; A483-S486 WeakPolarHBondContact O-CB 3.44Å; A483-S486 PolarHBondContact O-N 2.84Å; A483-E487 PolarHBondContact O-N 3.47Å; A483-E487 VanDerWaalsContact O-N 3.14Å
484D65.7Low65.2Low86 Ų86108.9 Ų108.946%0.4662%0.623SS.*Hα-helixtrans-67.2-38.3-175.1-60.3-13.4000111.3I480 D481 S486 E487 I488I480-D484 HydrophobicContact CG2-CB 4.16Å; D481-D484 PolarHBondContact O-N 3.33Å; D484-S486 VanDerWaalsContact C-N 3.28Å; D484-S486 PolarHBondContact O-N 2.6Å; D484-E487 PolarHBondContact O-N 2.96Å; D484-I488 WeakPolarHBondContact O-CG1 3.41Å; D484-I488 PolarHBondContact O-N 3.17Å
485L68Low67.9Low97 Ų97108.5 Ų108.551%0.50861%0.612SS.*Hα-helixtrans-61.3-38172.8-64.7175.9000111.6I480 A483 E487 I488 D489I480-L485 HydrophobicContact CG2-CG 4.45Å; A483-L485 PolarHBondContact O-N 2.61Å; L485-E487 VanDerWaalsContact C-N 3.34Å; L485-E487 PolarHBondContact O-N 3.18Å; L485-I488 PolarHBondContact O-N 3.05Å; L485-D489 PolarHBondContact O-N 3.36Å
486S78.8Confident70.1Confident79 Ų79106.6 Ų106.655%0.55260%0.598SS**Hα-helixtrans-67.7-33.6178.2-53.10000112.2G482 A483 D484 A490G482-S486 PolarHBondContact O-OG 3.37Å; A483-S486 WeakPolarHBondContact O-CB 3.44Å; A483-S486 PolarHBondContact O-N 2.84Å; D484-S486 VanDerWaalsContact C-N 3.28Å; D484-S486 PolarHBondContact O-N 2.6Å; S486-A490 WeakPolarHBondContact O-CB 3.45Å; S486-A490 PolarHBondContact O-N 2.99Å; S486-A490 VanDerWaalsContact O-N 3.11Å
487E86.4Confident72.6Confident131 Ų13199.3 Ų99.361%0.61257%0.569SS**Hα-helixtrans-70.2-40.4172.1-169.9-178.3140.700111.6A483 D484 L485 A490 R491A483-E487 PolarHBondContact O-N 3.47Å; A483-E487 VanDerWaalsContact O-N 3.14Å; D484-E487 PolarHBondContact O-N 2.96Å; L485-E487 VanDerWaalsContact C-N 3.34Å; L485-E487 PolarHBondContact O-N 3.18Å; E487-A490 PolarHBondContact O-N 2.98Å; E487-R491 VanDerWaalsContact O-CB 3.25Å; E487-R491 WeakPolarHBondContact O-CB 3.45Å; E487-R491 PolarHBondContact O-N 3.13Å
488I81.3Confident74.9Confident93 Ų9396.5 Ų96.548%0.47755%0.551SS.*Hα-helixtrans-61.1-47.8176.6-69.5163.3000110.9D484 L485 R491 L492D484-I488 WeakPolarHBondContact O-CG1 3.41Å; D484-I488 PolarHBondContact O-N 3.17Å; L485-I488 PolarHBondContact O-N 3.05Å; I488-R491 PolarHBondContact O-N 2.9Å; I488-L492 HydrophobicContact CG2-CD1 4.01Å; I488-L492 WeakPolarHBondContact O-CG 3.33Å; I488-L492 PolarHBondContact O-N 2.93Å
489D88.7Confident76.8Confident107 Ų10797.7 Ų97.757%0.57254%0.535SS*.Hα-helixtrans-65.2-43.1178.8-75.4-19.7000111.9L485 R491 L492 Q493L485-D489 PolarHBondContact O-N 3.36Å; D489-R491 VanDerWaalsContact C-N 3.28Å; D489-R491 PolarHBondContact O-N 3.47Å; D489-L492 PolarHBondContact O-N 3.4Å; D489-Q493 WeakPolarHBondContact O-CB 3.49Å; D489-Q493 PolarHBondContact O-N 3.35Å
490A89.9Confident78.4Confident63 Ų6398.5 Ų98.552%0.52152%0.522SS..Hα-helixtrans-60.8-37.2174.900000112.4S486 E487 A494S486-A490 WeakPolarHBondContact O-CB 3.45Å; S486-A490 PolarHBondContact O-N 2.99Å; S486-A490 VanDerWaalsContact O-N 3.11Å; E487-A490 PolarHBondContact O-N 2.98Å; A490-A494 WeakPolarHBondContact O-CB 3.32Å; A490-A494 PolarHBondContact O-N 3.47Å
491R87.8Confident79.4Confident186 Ų18697.8 Ų97.870%0.70252%0.52SS*.Hα-helixtrans-74.3-33.9177.9-170.4173-177.7168.3-0.6112.8E487 I488 D489 L495E487-R491 VanDerWaalsContact O-CB 3.25Å; E487-R491 WeakPolarHBondContact O-CB 3.45Å; E487-R491 PolarHBondContact O-N 3.13Å; I488-R491 PolarHBondContact O-N 2.9Å; D489-R491 VanDerWaalsContact C-N 3.28Å; D489-R491 PolarHBondContact O-N 3.47Å; R491-L495 PolarHBondContact O-N 3.1Å
492L91.3Very high80.3Confident85 Ų8597.3 Ų97.345%0.44552%0.517SS..Hα-helixtrans-67.1-42.9170.7-79167.6000111.5I488 D489 L495 Q496I488-L492 HydrophobicContact CG2-CD1 4.01Å; I488-L492 WeakPolarHBondContact O-CG 3.33Å; I488-L492 PolarHBondContact O-N 2.93Å; D489-L492 PolarHBondContact O-N 3.4Å; L492-L495 WeakPolarHBondContact O-CB 3.48Å; L492-L495 PolarHBondContact O-N 3.25Å; L492-Q496 WeakPolarHBondContact O-CG 3.37Å; L492-Q496 PolarHBondContact O-N 3Å
493Q91.1Very high80.6Confident91 Ų91101.2 Ų101.243%0.42553%0.525SS..Hα-helixtrans-58.9-51175.6-178.759.247.800111.1D489 L495 Q496 D497D489-Q493 WeakPolarHBondContact O-CB 3.49Å; D489-Q493 PolarHBondContact O-N 3.35Å; Q493-L495 VanDerWaalsContact C-N 3.25Å; Q493-L495 PolarHBondContact O-N 3.05Å; Q493-Q496 WeakPolarHBondContact O-CB 3.4Å; Q493-Q496 PolarHBondContact O-N 3.43Å; Q493-D497 PolarHBondContact NE2-OD1 2.94Å; Q493-D497 PolarHBondContact NE2-OD2 3.04Å; Q493-D497 VanDerWaalsContact NE2-OD2 3.1Å; Q493-D497 VanDerWaalsContact O-CG 3.32Å; Q493-D497 PolarHBondContact O-N 3.21Å; Q493-D497 VanDerWaalsContact O-OD2 3.14Å
494A88.4Confident80.7Confident57 Ų57103.3 Ų103.347%0.47153%0.531SS..Hα-helixtrans-59.3-33.6177.400000113.3A490 Y498A490-A494 WeakPolarHBondContact O-CB 3.32Å; A490-A494 PolarHBondContact O-N 3.47Å; A494-Y498 WeakPolarHBondContact O-CB 3.45Å; A494-Y498 PolarHBondContact O-N 2.97Å
495L88.6Confident80.3Confident99 Ų99102.1 Ų102.152%0.51854%0.539SS..Hα-helixtrans-69.3-39.6174-171.970000111.9R491 L492 Q493 M499R491-L495 PolarHBondContact O-N 3.1Å; L492-L495 WeakPolarHBondContact O-CB 3.48Å; L492-L495 PolarHBondContact O-N 3.25Å; Q493-L495 VanDerWaalsContact C-N 3.25Å; Q493-L495 PolarHBondContact O-N 3.05Å; L495-M499 WeakPolarHBondContact O-CB 3.37Å; L495-M499 WeakPolarHBondContact O-CG 3.37Å; L495-M499 PolarHBondContact O-N 3.34Å
496Q85Confident79.4Confident104 Ų104110 Ų11049%0.48657%0.573SS.*Hα-helixtrans-69.3-35.6175.7-68.8-18026.300112.7L492 Q493 M499 R500L492-Q496 WeakPolarHBondContact O-CG 3.37Å; L492-Q496 PolarHBondContact O-N 3Å; Q493-Q496 WeakPolarHBondContact O-CB 3.4Å; Q493-Q496 PolarHBondContact O-N 3.43Å; Q496-M499 PolarHBondContact O-N 3.36Å; Q496-R500 PolarHBondContact O-N 3.14Å
497D86.8Confident79.5Confident53 Ų53111.6 Ų111.628%0.28357%0.574SS.*Hα-helixtrans-63.9-51.3173.8-65.3-37.6000110.1Q493 M499 R500 D501Q493-D497 PolarHBondContact NE2-OD1 2.94Å; Q493-D497 PolarHBondContact NE2-OD2 3.04Å; Q493-D497 VanDerWaalsContact NE2-OD2 3.1Å; Q493-D497 VanDerWaalsContact O-CG 3.32Å; Q493-D497 PolarHBondContact O-N 3.21Å; Q493-D497 VanDerWaalsContact O-OD2 3.14Å; D497-M499 VanDerWaalsContact C-N 3.29Å; D497-M499 PolarHBondContact O-N 2.86Å; D497-R500 WeakPolarHBondContact O-CA 3.11Å; D497-R500 WeakPolarHBondContact O-CB 3.27Å; D497-R500 PolarHBondContact O-N 3.37Å; D497-R500 IonicContact OD1-CZ 2.74Å; D497-R500 IonicContact OD1-NH1 3.79Å; D497-R500 PolarHBondContact OD1-NH1 2.85Å; D497-R500 IonicContact OD1-NH2 3.97Å; D497-R500 PolarHBondContact OD1-NH2 3.33Å; D497-D501 PolarHBondContact O-N 2.82Å
498Y85.6Confident79.1Confident143 Ų143110.6 Ų110.656%0.56157%0.572SS**Hα-helixtrans-57.2-39.1174.4179.6-111.5000113.2A494 R500 L502A494-Y498 WeakPolarHBondContact O-CB 3.45Å; A494-Y498 PolarHBondContact O-N 2.97Å; Y498-R500 VanDerWaalsContact C-N 3.34Å; Y498-L502 HydrophobicContact CD1-CD1 4.02Å; Y498-L502 HydrophobicContact CE1-CD1 3.55Å; Y498-L502 HydrophobicContact CE1-CG 4.41Å; Y498-L502 HydrophobicContact CE2-CD1 4.37Å; Y498-L502 HydrophobicContact CE2-CG 4.4Å; Y498-L502 WeakPolarHBondContact O-CG 3.26Å; Y498-L502 PolarHBondContact O-N 3.19Å; Y498-L502 VanDerWaalsContact O-N 3.14Å
499M83.9Confident79Confident109 Ų109111.6 Ų111.654%0.53758%0.577SS.*Hα-helixtrans-69.9-26.1174-76.8-174.866.900113.5L495 Q496 D497 N503L495-M499 WeakPolarHBondContact O-CB 3.37Å; L495-M499 WeakPolarHBondContact O-CG 3.37Å; L495-M499 PolarHBondContact O-N 3.34Å; Q496-M499 PolarHBondContact O-N 3.36Å; D497-M499 VanDerWaalsContact C-N 3.29Å; D497-M499 PolarHBondContact O-N 2.86Å; M499-N503 PolarHBondContact O-ND2 3.24Å
500R78.4Confident78.4Confident120 Ų120111.8 Ų111.845%0.45358%0.577SS.*Hα-helixtrans-74.1-46.3172.3-86.2-179.2-92.8101.31.6111Q496 D497 Y498 L502 N503 T504Q496-R500 PolarHBondContact O-N 3.14Å; D497-R500 WeakPolarHBondContact O-CA 3.11Å; D497-R500 WeakPolarHBondContact O-CB 3.27Å; D497-R500 PolarHBondContact O-N 3.37Å; D497-R500 IonicContact OD1-CZ 2.74Å; D497-R500 IonicContact OD1-NH1 3.79Å; D497-R500 PolarHBondContact OD1-NH1 2.85Å; D497-R500 IonicContact OD1-NH2 3.97Å; D497-R500 PolarHBondContact OD1-NH2 3.33Å; Y498-R500 VanDerWaalsContact C-N 3.34Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 3.42Å; R500-N503 PolarHBondContact O-N 3.17Å; R500-T504 PolarHBondContact O-N 2.91Å; R500-T504 VanDerWaalsContact O-N 3.17Å; R500-T504 PolarHBondContact O-OG1 3.05Å
501D73.9Confident77.7Confident113 Ų113114.9 Ų114.960%0.60458%0.581SS**Hα-helixtrans-57.6-40.7178.4-65.6-14.3000112.1D497 N503 T504D497-D501 PolarHBondContact O-N 2.82Å; D501-N503 VanDerWaalsContact C-N 3.29Å; D501-N503 PolarHBondContact O-N 2.92Å; D501-T504 WeakPolarHBondContact CA-OG1 3.33Å; D501-T504 PolarHBondContact O-N 3.2Å; D501-T504 PolarHBondContact O-OG1 3.12Å
502L71.8Confident77Confident107 Ų107110.1 Ų110.156%0.5657%0.573SS**Hα-helixtrans-64.1-27.2174.4-77.2175000114.2Y498 R500Y498-L502 HydrophobicContact CD1-CD1 4.02Å; Y498-L502 HydrophobicContact CE1-CD1 3.55Å; Y498-L502 HydrophobicContact CE1-CG 4.41Å; Y498-L502 HydrophobicContact CE2-CD1 4.37Å; Y498-L502 HydrophobicContact CE2-CG 4.4Å; Y498-L502 WeakPolarHBondContact O-CG 3.26Å; Y498-L502 PolarHBondContact O-N 3.19Å; Y498-L502 VanDerWaalsContact O-N 3.14Å; R500-L502 VanDerWaalsContact C-N 3.28Å; R500-L502 PolarHBondContact O-N 3.42Å
503N61.7Low76Confident134 Ų134111.9 Ų111.972%0.71758%0.582SS**Hα-helixtrans-93.1-8.6-179.3-79.2-69.4000113.4M499 R500 D501M499-N503 PolarHBondContact O-ND2 3.24Å; R500-N503 PolarHBondContact O-N 3.17Å; D501-N503 VanDerWaalsContact C-N 3.29Å; D501-N503 PolarHBondContact O-N 2.92Å
504T61.8Low74.8Confident113 Ų113113.5 Ų113.569%0.69359%0.594SS**SBendtrans-92.111.3173.644.80000114.1R500 D501 H506R500-T504 PolarHBondContact O-N 2.91Å; R500-T504 VanDerWaalsContact O-N 3.17Å; R500-T504 PolarHBondContact O-OG1 3.05Å; D501-T504 WeakPolarHBondContact CA-OG1 3.33Å; D501-T504 PolarHBondContact O-N 3.2Å; D501-T504 PolarHBondContact O-OG1 3.12Å; T504-H506 PolarHBondContact O-N 2.95Å
505G57.2Low73.7Confident60 Ų60118.3 Ų118.362%0.61960%0.604SS**  trans-89.449.7-175.600000116.2
506H49.8Very low72.3Confident264 Ų264120 Ų120100%1.22261%0.612SS**  trans-136.80174.1-82-11.5000111.8T504T504-H506 PolarHBondContact O-N 2.95Å

Retrieved 506 of 506 residues in 2668.8 ms (Link to these results)

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