A0A077ZAZ6_TRITR Loading...

XRCC4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 220 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
1M81.2Confident89.3Confident113 Ų11365.9 Ų65.956%0.55738%0.375SS*.  0111.10-178.4-179.977.700106.2V21 L70 V76M1-V21 PolarHBondContact N-O 3.03Å; M1-V21 PolarHBondContact O-N 3.44Å; M1-L70 HydrophobicContact CE-CD2 3.97Å; M1-V76 HydrophobicContact CE-CG2 3.63Å
2G89.6Confident89.2Confident29 Ų2965.1 Ų65.130%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-82.2143.2174.800000110.3S19 F136G2-S19 CarbonylContact C-O 3.47Å; G2-S19 VanDerWaalsContact CA-O 3.26Å; G2-S19 WeakPolarHBondContact CA-O 3.37Å; G2-F136 VanDerWaalsContact C-CZ 3.49Å; G2-F136 WeakPolarHBondContact O-CZ 3.05Å
3A92.8Very high89.5Confident12 Ų1268.8 Ų68.810%0.09940%0.4CS..EExtended strand (participates in β ladder)trans-143.9145.117200000110.3F18 S19 G74A3-F18 CarbonylContact O-C 3.51Å; A3-F18 WeakPolarHBondContact O-CA 3.38Å; A3-F18 VanDerWaalsContact O-CD2 3.27Å; A3-F18 WeakPolarHBondContact O-CD2 3.44Å; A3-S19 PolarHBondContact N-O 3.33Å; A3-S19 PolarHBondContact O-N 2.89Å; A3-G74 WeakPolarHBondContact CB-O 3.43Å
4F93.3Very high89.7Confident73 Ų7368.1 Ų68.132%0.3241%0.406SS..EExtended strand (participates in β ladder)trans-130.6117176.2-172.5-99.5000108.9F16 I17 F18 M133 F136F4-F16 HydrophobicContact CE1-CB 4.45Å; F4-F16 AromaticContact CE1-CD1 3.85Å; F4-F16 HydrophobicContact CE1-CD1 3.85Å; F4-F16 HydrophobicContact CE1-CG 4.44Å; F4-F16 HydrophobicContact CE2-CB 3.91Å; F4-F16 HydrophobicContact CZ-CB 3.65Å; F4-F16 AromaticContact CZ-CD1 3.73Å; F4-F16 HydrophobicContact CZ-CD1 3.73Å; F4-F16 AromaticContact CZ-CG 3.85Å; F4-F16 HydrophobicContact CZ-CG 3.85Å; F4-I17 CarbonylContact C-O 3.53Å; F4-I17 WeakPolarHBondContact CA-O 3.4Å; F4-F18 HydrophobicContact CB-CD2 4.22Å; F4-F18 HydrophobicContact CD2-CB 3.91Å; F4-F18 HydrophobicContact CD2-CD2 4.03Å; F4-F18 HydrophobicContact CD2-CG 4.35Å; F4-F18 HydrophobicContact CE2-CB 4.42Å; F4-M133 HydrophobicContact CD2-CG 4.45Å; F4-M133 HydrophobicContact CE2-CB 4.23Å; F4-M133 HydrophobicContact CE2-CG 4.19Å; F4-M133 HydrophobicContact CE2-SD 3.88Å; F4-F136 HydrophobicContact CB-CD1 3.93Å; F4-F136 HydrophobicContact CB-CE1 3.77Å
5C91.5Very high90Very high27 Ų2764.5 Ų64.518%0.18238%0.383CS..EExtended strand (participates in β ladder)trans-134.6150.6-179.768.60000112.1F16 I17C5-F16 CarbonylContact O-C 3.58Å; C5-F16 WeakPolarHBondContact O-CA 3.49Å; C5-I17 PolarHBondContact N-O 3.3Å; C5-I17 PolarHBondContact O-N 3.06Å
6A91.5Very high90.4Very high74 Ų7465.1 Ų65.161%0.61238%0.379SS*.EExtended strand (participates in β ladder)trans-93.1134.3170.900000109.3Y15 F16A6-Y15 WeakPolarHBondContact CA-O 3.41Å; A6-F16 HydrophobicContact CB-CD1 4.01Å; A6-F16 HydrophobicContact CB-CE1 4.03Å
7V91.3Very high90.7Very high8 Ų861.2 Ų61.25%0.04836%0.357CS..EExtended strand (participates in β ladder)trans-122.8148.3175-61.40000109.9A14 Y15 I17 Y86V7-A14 WeakPolarHBondContact O-CA 3.27Å; V7-Y15 PolarHBondContact N-O 3.46Å; V7-Y15 PolarHBondContact O-N 3.03Å; V7-I17 HydrophobicContact CB-CD1 4.42Å; V7-I17 HydrophobicContact CG1-CD1 3.61Å; V7-I17 HydrophobicContact CG1-CG1 4.22Å; V7-I17 HydrophobicContact CG2-CD1 3.95Å; V7-I17 HydrophobicContact CG2-CG1 4.06Å; V7-Y86 HydrophobicContact CB-CD2 3.77Å; V7-Y86 HydrophobicContact CB-CE2 3.84Å; V7-Y86 HydrophobicContact CB-CG 4.19Å; V7-Y86 HydrophobicContact CG1-CD2 4.07Å; V7-Y86 HydrophobicContact CG1-CE1 4.15Å; V7-Y86 HydrophobicContact CG1-CE2 3.64Å; V7-Y86 HydrophobicContact CG1-CG 4.49Å; V7-Y86 HydrophobicContact CG2-CD2 4.49Å; V7-Y86 HydrophobicContact CG2-CG 4.46Å
8K90.9Very high91Very high163 Ų16359.5 Ų59.571%0.70934%0.344SS*.EExtended strand (participates in β ladder)trans-110.6132170.8-68.7-176.8-179.8-179.80108.6K13K8-K13 WeakPolarHBondContact CA-O 3.28Å
9T90.8Very high91.2Very high12 Ų1256.4 Ų56.47%0.07433%0.326CS..BIsolated β-bridgetrans-79.2164.9173.148.20000110.6D11 G12 K13 Y15 Y86 I88T9-D11 PolarHBondContact O-N 3.3Å; T9-D11 PolarHBondContact OG1-OD1 3.26Å; T9-G12 PolarHBondContact O-N 3.34Å; T9-K13 PolarHBondContact N-O 3.31Å; T9-K13 WeakPolarHBondContact OG1-CA 3.36Å; T9-K13 WeakPolarHBondContact OG1-CB 3.37Å; T9-K13 PolarHBondContact OG1-N 3.35Å; T9-K13 VanDerWaalsContact OG1-N 3.11Å; T9-K13 PolarHBondContact OG1-O 3.42Å; T9-Y15 HydrophobicContact CG2-CD2 3.75Å; T9-Y15 HydrophobicContact CG2-CE2 3.77Å; T9-Y86 VanDerWaalsContact CA-O 3.29Å; T9-Y86 WeakPolarHBondContact CA-O 3.42Å; T9-I88 HydrophobicContact CG2-CB 3.94Å; T9-I88 HydrophobicContact CG2-CD1 3.53Å; T9-I88 HydrophobicContact CG2-CG1 3.79Å
10V82.4Confident91.4Very high116 Ų11656.9 Ų56.970%0.70333%0.327SS*.THydrogen-bonded Turntrans-59.7-29.1179.2-177.30000112.4G12 F85 Y86V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.15Å; V10-F85 HydrophobicContact CG2-CB 4.49Å; V10-Y86 PolarHBondContact N-O 3.12Å
11D86.5Confident91.5Very high98 Ų9854.5 Ų54.552%0.52431%0.314SS..THydrogen-bonded Turntrans-84.44176.476.1-6.8000113.8T9 K13T9-D11 PolarHBondContact O-N 3.3Å; T9-D11 PolarHBondContact OG1-OD1 3.26Å; D11-K13 WeakPolarHBondContact OD1-CB 3.39Å; D11-K13 WeakPolarHBondContact OD1-CG 3.34Å; D11-K13 PolarHBondContact OD1-N 3.4Å; D11-K13 WeakPolarHBondContact OD2-CD 3.44Å; D11-K13 WeakPolarHBondContact OD2-CE 3.34Å; D11-K13 IonicContact OD2-NZ 2.72Å; D11-K13 PolarHBondContact OD2-NZ 2.94Å
12G89.2Confident92.1Very high56 Ų5655.1 Ų55.158%0.57731%0.314SS*.SBendtrans87.60.1176.100000115.1T9 V10T9-G12 PolarHBondContact O-N 3.34Å; V10-G12 VanDerWaalsContact C-N 3.27Å; V10-G12 PolarHBondContact O-N 3.15Å
13K92Very high92.2Very high113 Ų11356.7 Ų56.749%0.49132%0.323SS..  trans-73.2137.7175.8-65.7171.6-174.2142.50111.3K8 T9 D11 Y15K8-K13 WeakPolarHBondContact CA-O 3.28Å; T9-K13 PolarHBondContact N-O 3.31Å; T9-K13 WeakPolarHBondContact OG1-CA 3.36Å; T9-K13 WeakPolarHBondContact OG1-CB 3.37Å; T9-K13 PolarHBondContact OG1-N 3.35Å; T9-K13 VanDerWaalsContact OG1-N 3.11Å; T9-K13 PolarHBondContact OG1-O 3.42Å; D11-K13 WeakPolarHBondContact OD1-CB 3.39Å; D11-K13 WeakPolarHBondContact OD1-CG 3.34Å; D11-K13 PolarHBondContact OD1-N 3.4Å; D11-K13 WeakPolarHBondContact OD2-CD 3.44Å; D11-K13 WeakPolarHBondContact OD2-CE 3.34Å; D11-K13 IonicContact OD2-NZ 2.72Å; D11-K13 PolarHBondContact OD2-NZ 2.94Å; K13-Y15 HydrophobicContact CB-CD2 4.31Å; K13-Y15 HydrophobicContact CB-CE2 3.68Å; K13-Y15 HydrophobicContact CD-CE2 4.47Å
14A92.9Very high92.1Very high59 Ų5962 Ų6249%0.48835%0.346SS..EExtended strand (participates in β ladder)trans-90.5136.4175.900000110.8V7V7-A14 WeakPolarHBondContact O-CA 3.27Å
15Y94.7Very high91.8Very high15 Ų1565.1 Ų65.16%0.05937%0.366CS..EExtended strand (participates in β ladder)trans-132.9161172.6-70-99.3000109.5A6 V7 T9 K13 L35 S36 D37 I88A6-Y15 WeakPolarHBondContact CA-O 3.41Å; V7-Y15 PolarHBondContact N-O 3.46Å; V7-Y15 PolarHBondContact O-N 3.03Å; T9-Y15 HydrophobicContact CG2-CD2 3.75Å; T9-Y15 HydrophobicContact CG2-CE2 3.77Å; K13-Y15 HydrophobicContact CB-CD2 4.31Å; K13-Y15 HydrophobicContact CB-CE2 3.68Å; K13-Y15 HydrophobicContact CD-CE2 4.47Å; Y15-L35 HydrophobicContact CD1-CD1 4.25Å; Y15-L35 HydrophobicContact CD1-CD2 4.4Å; Y15-L35 HydrophobicContact CD1-CG 4.16Å; Y15-L35 HydrophobicContact CG-CD1 4.37Å; Y15-S36 CarbonylContact C-O 3.58Å; Y15-S36 WeakPolarHBondContact CA-O 3.36Å; Y15-D37 HydrophobicContact CD1-CB 3.9Å; Y15-D37 HydrophobicContact CE1-CB 3.68Å; Y15-I88 HydrophobicContact CD1-CD1 3.86Å; Y15-I88 HydrophobicContact CD2-CD1 3.42Å; Y15-I88 VanDerWaalsContact CD2-CD1 3.42Å; Y15-I88 HydrophobicContact CE1-CD1 4.16Å; Y15-I88 HydrophobicContact CE1-CG2 3.93Å; Y15-I88 HydrophobicContact CE2-CB 4.29Å; Y15-I88 HydrophobicContact CE2-CD1 3.76Å; Y15-I88 HydrophobicContact CE2-CG2 4.26Å; Y15-I88 HydrophobicContact CG-CD1 3.47Å; Y15-I88 VanDerWaalsContact CG-CD1 3.47Å
16F95.1Very high91.4Very high73 Ų7366.7 Ų66.732%0.3238%0.378SS..EExtended strand (participates in β ladder)trans-116.1135.4174.1-54.7-85.6000109.6F4 C5 A6 L35 S36F4-F16 HydrophobicContact CE1-CB 4.45Å; F4-F16 AromaticContact CE1-CD1 3.85Å; F4-F16 HydrophobicContact CE1-CD1 3.85Å; F4-F16 HydrophobicContact CE1-CG 4.44Å; F4-F16 HydrophobicContact CE2-CB 3.91Å; F4-F16 HydrophobicContact CZ-CB 3.65Å; F4-F16 AromaticContact CZ-CD1 3.73Å; F4-F16 HydrophobicContact CZ-CD1 3.73Å; F4-F16 AromaticContact CZ-CG 3.85Å; F4-F16 HydrophobicContact CZ-CG 3.85Å; C5-F16 CarbonylContact O-C 3.58Å; C5-F16 WeakPolarHBondContact O-CA 3.49Å; A6-F16 HydrophobicContact CB-CD1 4.01Å; A6-F16 HydrophobicContact CB-CE1 4.03Å; F16-L35 CarbonylContact O-C 3.55Å; F16-L35 WeakPolarHBondContact O-CA 3.33Å; F16-S36 PolarHBondContact N-O 2.93Å; F16-S36 PolarHBondContact O-N 3.5Å
17I95.7Very high91.4Very high0 Ų064.7 Ų64.70%036%0.359CS..EExtended strand (participates in β ladder)trans-110.6122.1175.2-60.2178000107.2F4 C5 V7 I33 I34 L35 I73 Y86 F99F4-I17 CarbonylContact C-O 3.53Å; F4-I17 WeakPolarHBondContact CA-O 3.4Å; C5-I17 PolarHBondContact N-O 3.3Å; C5-I17 PolarHBondContact O-N 3.06Å; V7-I17 HydrophobicContact CB-CD1 4.42Å; V7-I17 HydrophobicContact CG1-CD1 3.61Å; V7-I17 HydrophobicContact CG1-CG1 4.22Å; V7-I17 HydrophobicContact CG2-CD1 3.95Å; V7-I17 HydrophobicContact CG2-CG1 4.06Å; I17-I33 HydrophobicContact CG2-CG2 4.2Å; I17-I34 WeakPolarHBondContact CA-O 3.49Å; I17-L35 HydrophobicContact CG1-CD1 3.9Å; I17-I73 HydrophobicContact CG2-CG2 3.67Å; I17-Y86 HydrophobicContact CD1-CE1 4.43Å; I17-F99 HydrophobicContact CD1-CE1 4.28Å; I17-F99 HydrophobicContact CD1-CE2 4.42Å; I17-F99 HydrophobicContact CD1-CZ 3.63Å
18F96.1Very high91.5Very high30 Ų3064.3 Ų64.313%0.13236%0.356CS..EExtended strand (participates in β ladder)trans-109.6121.2166.7-177.2-123.7000108.9A3 F4 I33 I34 M133 F136A3-F18 CarbonylContact O-C 3.51Å; A3-F18 WeakPolarHBondContact O-CA 3.38Å; A3-F18 VanDerWaalsContact O-CD2 3.27Å; A3-F18 WeakPolarHBondContact O-CD2 3.44Å; F4-F18 HydrophobicContact CB-CD2 4.22Å; F4-F18 HydrophobicContact CD2-CB 3.91Å; F4-F18 HydrophobicContact CD2-CD2 4.03Å; F4-F18 HydrophobicContact CD2-CG 4.35Å; F4-F18 HydrophobicContact CE2-CB 4.42Å; F18-I33 CarbonylContact O-C 3.45Å; F18-I34 HydrophobicContact CB-CB 4.27Å; F18-I34 HydrophobicContact CD1-CD1 4.29Å; F18-I34 PolarHBondContact N-O 2.88Å; F18-I34 PolarHBondContact O-N 3.18Å; F18-M133 HydrophobicContact CB-CG 3.79Å; F18-M133 HydrophobicContact CB-SD 3.88Å; F18-M133 HydrophobicContact CD1-CG 3.8Å; F18-M133 HydrophobicContact CD2-CG 4.41Å; F18-M133 HydrophobicContact CE1-CG 4.48Å; F18-M133 HydrophobicContact CG-CG 3.75Å; F18-M133 HydrophobicContact CG-SD 4.5Å; F18-F136 HydrophobicContact CD2-CD1 4.32Å; F18-F136 HydrophobicContact CE2-CB 3.91Å; F18-F136 AromaticContact CE2-CD1 3.73Å; F18-F136 HydrophobicContact CE2-CD1 3.73Å; F18-F136 AromaticContact CE2-CD2 3.93Å; F18-F136 HydrophobicContact CE2-CD2 3.93Å; F18-F136 HydrophobicContact CE2-CE1 4.24Å; F18-F136 HydrophobicContact CE2-CE2 4.42Å; F18-F136 AromaticContact CE2-CG 3.55Å; F18-F136 HydrophobicContact CE2-CG 3.55Å; F18-F136 HydrophobicContact CZ-CB 4.14Å; F18-F136 HydrophobicContact CZ-CD2 4.34Å; F18-F136 HydrophobicContact CZ-CG 4.14Å
19S95.5Very high91.7Very high0 Ų059.2 Ų59.20%034%0.337CS..EExtended strand (participates in β ladder)trans-125.3138.3-178.968.20000111.8G2 A3 S32G2-S19 CarbonylContact C-O 3.47Å; G2-S19 VanDerWaalsContact CA-O 3.26Å; G2-S19 WeakPolarHBondContact CA-O 3.37Å; A3-S19 PolarHBondContact N-O 3.33Å; A3-S19 PolarHBondContact O-N 2.89Å; S19-S32 CarbonylContact C-O 3.56Å; S19-S32 VanDerWaalsContact CA-O 3.23Å; S19-S32 WeakPolarHBondContact CA-O 3.46Å
20D94.3Very high91.9Very high66 Ų6659.4 Ų59.435%0.35334%0.339SS..EExtended strand (participates in β ladder)trans-117.8115.4166.4178.737.6000110I31 S32D20-I31 WeakPolarHBondContact O-CA 3.3Å; D20-S32 PolarHBondContact N-O 2.9Å; D20-S32 PolarHBondContact O-N 2.9Å
21V94.2Very high92.5Very high7 Ų753.9 Ų53.94%0.04231%0.305CS..EExtended strand (participates in β ladder)trans-106.3130-174.6-174.90000111M1 A23 I28 I31 L70M1-V21 PolarHBondContact N-O 3.03Å; M1-V21 PolarHBondContact O-N 3.44Å; V21-A23 HydrophobicContact CG1-CB 4.23Å; V21-I28 HydrophobicContact CG1-CG1 4.14Å; V21-I28 HydrophobicContact CG1-CG2 3.96Å; V21-I31 HydrophobicContact CG2-CB 4.43Å; V21-I31 HydrophobicContact CG2-CD1 3.74Å; V21-I31 HydrophobicContact CG2-CG1 3.81Å; V21-L70 HydrophobicContact CB-CD2 4.28Å; V21-L70 HydrophobicContact CG1-CD2 3.93Å; V21-L70 HydrophobicContact CG2-CD2 3.79Å
22K94.7Very high93Very high127 Ų12751.2 Ų51.255%0.55229%0.294SS*.EExtended strand (participates in β ladder)trans-106.6114.5165.1-61.4-173.5178.3-171.50108.4N29 S30K22-N29 PolarHBondContact O-N 3.37Å; K22-S30 PolarHBondContact N-O 3.02Å; K22-S30 PolarHBondContact O-N 3.34Å
23A91.5Very high93.4Very high61 Ų6148.5 Ų48.550%0.50427%0.267SS..EExtended strand (participates in β ladder)trans-130151.4-178.500000111V21 C27V21-A23 HydrophobicContact CG1-CB 4.23Å; A23-C27 CarbonylContact C-O 3.29Å; A23-C27 WeakPolarHBondContact CA-O 3.46Å; A23-C27 WeakPolarHBondContact CB-O 3.18Å
24E90.2Very high93.6Very high123 Ų12344.3 Ų44.358%0.57525%0.249SC*.EExtended strand (participates in β ladder)trans-140.1132.3176.9-173.3170.4-161.100107.3S26 C27 N29E24-S26 VanDerWaalsContact C-N 3.31Å; E24-S26 PolarHBondContact O-N 3.24Å; E24-C27 PolarHBondContact N-O 3.41Å; E24-C27 WeakPolarHBondContact O-CA 3.39Å; E24-C27 WeakPolarHBondContact O-CB 3.22Å; E24-C27 PolarHBondContact O-N 2.92Å; E24-C27 VanDerWaalsContact O-O 3.12Å; E24-N29 PolarHBondContact OE2-ND2 3.2Å
25D86.5Confident93.8Very high139 Ų13941.6 Ų41.674%0.74323%0.226SC*.THydrogen-bonded Turntrans4944.4179.9-61-27.3000115.4C27D25-C27 PolarHBondContact O-N 2.97Å
26S82.7Confident93.8Very high61 Ų6141.1 Ų41.143%0.42723%0.225SC..THydrogen-bonded Turntrans67.15.3-176.3-41.70000115.4E24 R63E24-S26 VanDerWaalsContact C-N 3.31Å; E24-S26 PolarHBondContact O-N 3.24Å; S26-R63 PolarHBondContact OG-NH2 3.25Å
27C91.4Very high93.7Very high31 Ų3139.6 Ų39.621%0.20922%0.22CC..EExtended strand (participates in β ladder)trans-106.3136.9178.1-73.50000110.7A23 E24 D25 N29 Y62A23-C27 CarbonylContact C-O 3.29Å; A23-C27 WeakPolarHBondContact CA-O 3.46Å; A23-C27 WeakPolarHBondContact CB-O 3.18Å; E24-C27 PolarHBondContact N-O 3.41Å; E24-C27 WeakPolarHBondContact O-CA 3.39Å; E24-C27 WeakPolarHBondContact O-CB 3.22Å; E24-C27 PolarHBondContact O-N 2.92Å; E24-C27 VanDerWaalsContact O-O 3.12Å; D25-C27 PolarHBondContact O-N 2.97Å; C27-N29 PolarHBondContact O-N 3.03Å; C27-Y62 HydrophobicContact CB-CD1 4.36Å; C27-Y62 HydrophobicContact CB-CE1 3.78Å
28I93.7Very high93.6Very high0 Ų042 Ų420%025%0.246CC..EExtended strand (participates in β ladder)trans-84.1118.3-178.1-59.8165.8000109.4V21 I31 I51 Y62 C66 L69 L70V21-I28 HydrophobicContact CG1-CG1 4.14Å; V21-I28 HydrophobicContact CG1-CG2 3.96Å; I28-I31 HydrophobicContact CG2-CB 4.28Å; I28-I51 HydrophobicContact CB-CD1 3.97Å; I28-I51 HydrophobicContact CG2-CD1 3.47Å; I28-I51 VanDerWaalsContact CG2-CD1 3.47Å; I28-Y62 PolarHBondContact O-OH 3.23Å; I28-C66 HydrophobicContact CD1-CB 3.88Å; I28-C66 HydrophobicContact CG1-CB 3.92Å; I28-C66 PolarHBondContact N-SG 3.13Å; I28-C66 VanDerWaalsContact N-SG 3.37Å; I28-L69 HydrophobicContact CD1-CB 4.18Å; I28-L69 HydrophobicContact CD1-CD2 3.84Å; I28-L69 HydrophobicContact CD1-CG 4.22Å; I28-L70 HydrophobicContact CD1-CD2 4.38Å; I28-L70 HydrophobicContact CD1-CG 4.05Å; I28-L70 HydrophobicContact CG1-CG 4.48Å
29N94.7Very high93.4Very high56 Ų5647 Ų4730%0.29927%0.272SS..EExtended strand (participates in β ladder)trans-80.2-36.2173.3-69.4-19.4000111.2K22 E24 C27 Q48K22-N29 PolarHBondContact O-N 3.37Å; E24-N29 PolarHBondContact OE2-ND2 3.2Å; C27-N29 PolarHBondContact O-N 3.03Å; N29-Q48 PolarHBondContact O-N 2.9Å
30S96.2Very high93.3Very high17 Ų1751.5 Ų51.512%0.11929%0.289CS..EExtended strand (participates in β ladder)trans-161.1153.8171.461.90000111.6K22 L46K22-S30 PolarHBondContact N-O 3.02Å; K22-S30 PolarHBondContact O-N 3.34Å; S30-L46 CarbonylContact C-O 3.52Å; S30-L46 VanDerWaalsContact CA-O 3.26Å; S30-L46 WeakPolarHBondContact CA-O 3.25Å; S30-L46 WeakPolarHBondContact CB-O 3.4Å
31I95.6Very high93.4Very high0 Ų048.8 Ų48.80%027%0.274CS..EExtended strand (participates in β ladder)trans-133.6130.3171.4-175.3173.1000109.8D20 V21 I28 I33 K45 L46 I51 L69 I73D20-I31 WeakPolarHBondContact O-CA 3.3Å; V21-I31 HydrophobicContact CG2-CB 4.43Å; V21-I31 HydrophobicContact CG2-CD1 3.74Å; V21-I31 HydrophobicContact CG2-CG1 3.81Å; I28-I31 HydrophobicContact CG2-CB 4.28Å; I31-I33 HydrophobicContact CD1-CD1 4.19Å; I31-I33 HydrophobicContact CD1-CG1 4.02Å; I31-I33 HydrophobicContact CG1-CD1 4.39Å; I31-I33 HydrophobicContact CG1-CG1 3.86Å; I31-I33 HydrophobicContact CG2-CD1 4.44Å; I31-K45 WeakPolarHBondContact O-CA 3.45Å; I31-L46 HydrophobicContact CG2-CB 3.82Å; I31-L46 HydrophobicContact CG2-CD1 3.95Å; I31-L46 HydrophobicContact CG2-CG 4.16Å; I31-L46 PolarHBondContact N-O 3.25Å; I31-L46 PolarHBondContact O-N 3.35Å; I31-I51 HydrophobicContact CG2-CD1 4.08Å; I31-L69 HydrophobicContact CG2-CD2 4.48Å; I31-I73 HydrophobicContact CD1-CG2 4.1Å
32S96.1Very high93.5Very high41 Ų4148.8 Ų48.829%0.28727%0.274SS..EExtended strand (participates in β ladder)trans-101.6132.4168.6-52.50000108.3S19 D20S19-S32 CarbonylContact C-O 3.56Å; S19-S32 VanDerWaalsContact CA-O 3.23Å; S19-S32 WeakPolarHBondContact CA-O 3.46Å; D20-S32 PolarHBondContact N-O 2.9Å; D20-S32 PolarHBondContact O-N 2.9Å
33I96.6Very high93.6Very high0 Ų044.8 Ų44.80%026%0.26CS..EExtended strand (participates in β ladder)trans-125.2132.6-175.8-55.7170.1000108.3I17 F18 I31 T43 T44 L46 I73 I116 L118I17-I33 HydrophobicContact CG2-CG2 4.2Å; F18-I33 CarbonylContact O-C 3.45Å; I31-I33 HydrophobicContact CD1-CD1 4.19Å; I31-I33 HydrophobicContact CD1-CG1 4.02Å; I31-I33 HydrophobicContact CG1-CD1 4.39Å; I31-I33 HydrophobicContact CG1-CG1 3.86Å; I31-I33 HydrophobicContact CG2-CD1 4.44Å; I33-T43 CarbonylContact O-C 3.59Å; I33-T43 VanDerWaalsContact O-CA 3.29Å; I33-T43 WeakPolarHBondContact O-CA 3.09Å; I33-T43 PolarHBondContact O-OG1 3.41Å; I33-T44 HydrophobicContact CB-CG2 4.18Å; I33-T44 PolarHBondContact N-O 3.14Å; I33-T44 PolarHBondContact O-N 3.36Å; I33-L46 HydrophobicContact CD1-CD1 4.26Å; I33-I73 HydrophobicContact CD1-CD1 3.87Å; I33-I73 HydrophobicContact CD1-CG2 3.98Å; I33-I73 HydrophobicContact CG1-CG2 4.09Å; I33-I73 HydrophobicContact CG2-CG2 4.37Å; I33-I116 HydrophobicContact CD1-CD1 3.69Å; I33-L118 HydrophobicContact CG2-CD2 4.31Å
34I96.9Very high93.9Very high25 Ų2543.2 Ų43.213%0.12824%0.244CC..EExtended strand (participates in β ladder)trans-119.2120166.4-62.7176.4000107.7I17 F18 H41 F42 L121 A129 M133I17-I34 WeakPolarHBondContact CA-O 3.49Å; F18-I34 HydrophobicContact CB-CB 4.27Å; F18-I34 HydrophobicContact CD1-CD1 4.29Å; F18-I34 PolarHBondContact N-O 2.88Å; F18-I34 PolarHBondContact O-N 3.18Å; I34-H41 HydrophobicContact CG2-CB 4.19Å; I34-F42 CarbonylContact C-O 3.56Å; I34-F42 VanDerWaalsContact CA-O 3.26Å; I34-F42 WeakPolarHBondContact CA-O 3.49Å; I34-L121 HydrophobicContact CD1-CD1 4.45Å; I34-A129 HydrophobicContact CD1-CB 4.01Å; I34-M133 HydrophobicContact CG2-CE 4.41Å; I34-M133 HydrophobicContact CG2-SD 4.21Å
35L96.7Very high94.2Very high1 Ų144.1 Ų44.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-97.9132.9170.2-176.171.2000108.6Y15 F16 I17 H41 F42 I88 V97 L118Y15-L35 HydrophobicContact CD1-CD1 4.25Å; Y15-L35 HydrophobicContact CD1-CD2 4.4Å; Y15-L35 HydrophobicContact CD1-CG 4.16Å; Y15-L35 HydrophobicContact CG-CD1 4.37Å; F16-L35 CarbonylContact O-C 3.55Å; F16-L35 WeakPolarHBondContact O-CA 3.33Å; I17-L35 HydrophobicContact CG1-CD1 3.9Å; L35-H41 CarbonylContact O-C 3.59Å; L35-H41 WeakPolarHBondContact O-CA 3.45Å; L35-F42 PolarHBondContact N-O 3.24Å; L35-F42 PolarHBondContact O-N 3.48Å; L35-I88 HydrophobicContact CD1-CD1 3.96Å; L35-I88 HydrophobicContact CD2-CD1 3.88Å; L35-I88 HydrophobicContact CD2-CG1 4.24Å; L35-I88 HydrophobicContact CD2-CG2 4.17Å; L35-I88 HydrophobicContact CG-CD1 4.46Å; L35-V97 HydrophobicContact CD2-CG1 3.85Å; L35-L118 HydrophobicContact CB-CD2 3.79Å; L35-L118 HydrophobicContact CD2-CD1 4.41Å
36S95.8Very high94.7Very high5 Ų538.1 Ų38.14%0.03521%0.214CC..EExtended strand (participates in β ladder)trans-130.6133.9-177.3178.30000111Y15 F16 G38 R40 H41Y15-S36 CarbonylContact C-O 3.58Å; Y15-S36 WeakPolarHBondContact CA-O 3.36Å; F16-S36 PolarHBondContact N-O 2.93Å; F16-S36 PolarHBondContact O-N 3.5Å; S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact OG-N 3.43Å; S36-G38 VanDerWaalsContact OG-N 3.08Å; S36-R40 WeakPolarHBondContact CA-O 3.21Å; S36-H41 WeakPolarHBondContact CB-ND1 3.31Å; S36-H41 PolarHBondContact OG-CE1 3.47Å; S36-H41 PolarHBondContact OG-ND1 2.84Å
37D93.4Very high95.4Very high41 Ų4138.8 Ų38.822%0.21921%0.213CC..  trans-92.87.5167.667.912.5000112.1Y15 I39 R40Y15-D37 HydrophobicContact CD1-CB 3.9Å; Y15-D37 HydrophobicContact CE1-CB 3.68Å; D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 WeakPolarHBondContact OD1-CA 3.47Å; D37-I39 PolarHBondContact OD1-N 3.16Å; D37-R40 PolarHBondContact N-O 3.08Å; D37-R40 PolarHBondContact OD1-N 3.39Å; D37-R40 IonicContact OD2-CZ 3.45Å; D37-R40 IonicContact OD2-NE 2.97Å; D37-R40 PolarHBondContact OD2-NE 2.95Å; D37-R40 IonicContact OD2-NH2 3Å; D37-R40 PolarHBondContact OD2-NH2 3.31Å
38G92.2Very high95.6Very high51 Ų5140.9 Ų40.953%0.52622%0.22SC..SBendtrans90.7-17.5-174.100000114.2S36S36-G38 VanDerWaalsContact C-N 3.3Å; S36-G38 PolarHBondContact OG-N 3.43Å; S36-G38 VanDerWaalsContact OG-N 3.08Å
39I92.3Very high95.7Very high135 Ų13543.9 Ų43.969%0.69224%0.241SC*.SBendtrans-120-43.4179.4-59.8175.9000111.1D37 H126D37-I39 VanDerWaalsContact C-N 3.32Å; D37-I39 WeakPolarHBondContact OD1-CA 3.47Å; D37-I39 PolarHBondContact OD1-N 3.16Å; I39-H126 PolarHBondContact O-CE1 3.49Å; I39-H126 PolarHBondContact O-NE2 3.01Å
40R93.7Very high95.8Very high94 Ų9443.5 Ų43.536%0.35524%0.242SC..  trans-111.6149.2179.7-62.3179-63.2-179.9-0.9109.3S36 D37 F42 D92S36-R40 WeakPolarHBondContact CA-O 3.21Å; D37-R40 PolarHBondContact N-O 3.08Å; D37-R40 PolarHBondContact OD1-N 3.39Å; D37-R40 IonicContact OD2-CZ 3.45Å; D37-R40 IonicContact OD2-NE 2.97Å; D37-R40 PolarHBondContact OD2-NE 2.95Å; D37-R40 IonicContact OD2-NH2 3Å; D37-R40 PolarHBondContact OD2-NH2 3.31Å; R40-F42 HydrophobicContact CB-CE2 3.78Å; R40-F42 HydrophobicContact CB-CZ 3.91Å; R40-D92 IonicContact NH1-OD1 3.85Å
41H95.9Very high95.8Very high9 Ų942.7 Ų42.74%0.04224%0.236CC..EExtended strand (participates in β ladder)trans-128.4136.1-179.9-51.7-40000109I34 L35 S36 L121 H126I34-H41 HydrophobicContact CG2-CB 4.19Å; L35-H41 CarbonylContact O-C 3.59Å; L35-H41 WeakPolarHBondContact O-CA 3.45Å; S36-H41 WeakPolarHBondContact CB-ND1 3.31Å; S36-H41 PolarHBondContact OG-CE1 3.47Å; S36-H41 PolarHBondContact OG-ND1 2.84Å; H41-L121 HydrophobicContact CB-CB 4.26Å; H41-L121 HydrophobicContact CB-CD1 3.97Å; H41-L121 WeakPolarHBondContact O-CB 3.48Å; H41-L121 PolarHBondContact O-N 3.34Å; H41-H126 AromaticContact CD2-CE1 3.18Å; H41-H126 PolarHBondContact CD2-CE1 2.85Å; H41-H126 AromaticContact CD2-ND1 3.39Å; H41-H126 PolarHBondContact CD2-ND1 3.31Å; H41-H126 AromaticContact CD2-NE2 3.74Å; H41-H126 PolarHBondContact CD2-O 2.97Å; H41-H126 AromaticContact CG-CE1 3.77Å; H41-H126 AromaticContact CG-ND1 3.94Å; H41-H126 AromaticContact NE2-CE1 3.55Å; H41-H126 AromaticContact NE2-NE2 3.78Å
42F96.9Very high95.8Very high7 Ų746.8 Ų46.83%0.03125%0.254CS..EExtended strand (participates in β ladder)trans-125.9135.1-179.6-53.2-91000108.4I34 L35 R40 V97 L118 K119I34-F42 CarbonylContact C-O 3.56Å; I34-F42 VanDerWaalsContact CA-O 3.26Å; I34-F42 WeakPolarHBondContact CA-O 3.49Å; L35-F42 PolarHBondContact N-O 3.24Å; L35-F42 PolarHBondContact O-N 3.48Å; R40-F42 HydrophobicContact CB-CE2 3.78Å; R40-F42 HydrophobicContact CB-CZ 3.91Å; F42-V97 HydrophobicContact CD1-CB 4.11Å; F42-V97 HydrophobicContact CD1-CG2 3.44Å; F42-V97 VanDerWaalsContact CD1-CG2 3.44Å; F42-V97 HydrophobicContact CD2-CG2 3.79Å; F42-V97 HydrophobicContact CE1-CG2 3.4Å; F42-V97 HydrophobicContact CE2-CG2 3.74Å; F42-V97 HydrophobicContact CG-CB 4.12Å; F42-V97 HydrophobicContact CG-CG2 3.65Å; F42-V97 HydrophobicContact CZ-CG2 3.55Å; F42-L118 HydrophobicContact CB-CB 3.57Å; F42-L118 HydrophobicContact CB-CD2 4.31Å; F42-L118 WeakPolarHBondContact O-CD2 3.25Å; F42-K119 CarbonylContact C-O 3.55Å; F42-K119 VanDerWaalsContact CA-O 3.26Å; F42-K119 WeakPolarHBondContact CA-O 3.32Å
43T97.3Very high95.8Very high44 Ų4450 Ų5027%0.2727%0.265SS..EExtended strand (participates in β ladder)trans-123.6149.9-173.6-1660000111.9I33 K119 L121I33-T43 CarbonylContact O-C 3.59Å; I33-T43 VanDerWaalsContact O-CA 3.29Å; I33-T43 WeakPolarHBondContact O-CA 3.09Å; I33-T43 PolarHBondContact O-OG1 3.41Å; T43-K119 PolarHBondContact N-O 3.47Å; T43-K119 PolarHBondContact O-N 2.85Å; T43-L121 HydrophobicContact CG2-CD1 4.34Å; T43-L121 HydrophobicContact CG2-CD2 3.43Å; T43-L121 VanDerWaalsContact CG2-CD2 3.43Å; T43-L121 HydrophobicContact CG2-CG 3.78Å
44T97.2Very high95.8Very high28 Ų2850.8 Ų50.817%0.17227%0.268CS..EExtended strand (participates in β ladder)trans-150162.1163.6-166.90000110.3I33 I116 L118I33-T44 HydrophobicContact CB-CG2 4.18Å; I33-T44 PolarHBondContact N-O 3.14Å; I33-T44 PolarHBondContact O-N 3.36Å; T44-I116 HydrophobicContact CG2-CD1 3.69Å; T44-I116 HydrophobicContact CG2-CG1 4.34Å; T44-L118 HydrophobicContact CG2-CD2 4.09Å; T44-L118 HydrophobicContact CG2-CG 3.99Å
45K96.9Very high95.8Very high142 Ų14249.7 Ų49.762%0.61726%0.263SS*.EExtended strand (participates in β ladder)trans-133.1125.5173.9-174.7178.4179.8-173.90108.1I31I31-K45 WeakPolarHBondContact O-CA 3.45Å
46L96.7Very high95.7Very high12 Ų1256.3 Ų56.36%0.06329%0.294CS..EExtended strand (participates in β ladder)trans-107131.5176.8-48.6175.5000108S30 I31 I33 C50 I51 M54 I116S30-L46 CarbonylContact C-O 3.52Å; S30-L46 VanDerWaalsContact CA-O 3.26Å; S30-L46 WeakPolarHBondContact CA-O 3.25Å; S30-L46 WeakPolarHBondContact CB-O 3.4Å; I31-L46 HydrophobicContact CG2-CB 3.82Å; I31-L46 HydrophobicContact CG2-CD1 3.95Å; I31-L46 HydrophobicContact CG2-CG 4.16Å; I31-L46 PolarHBondContact N-O 3.25Å; I31-L46 PolarHBondContact O-N 3.35Å; I33-L46 HydrophobicContact CD1-CD1 4.26Å; L46-C50 HydrophobicContact CB-CB 4.4Å; L46-I51 HydrophobicContact CB-CD1 4.41Å; L46-I51 HydrophobicContact CB-CG1 4.02Å; L46-M54 HydrophobicContact CD1-SD 4.27Å; L46-I116 HydrophobicContact CD1-CG2 4.06Å; L46-I116 HydrophobicContact CD2-CG2 4.17Å
47D96.4Very high95.7Very high76 Ų7663 Ų6341%0.40633%0.325SS..EExtended strand (participates in β ladder)trans-94175.8169.461.729.1000111S49 C50 I51D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.35Å; D47-S49 PolarHBondContact OD1-N 2.88Å; D47-S49 VanDerWaalsContact OD1-N 3.14Å; D47-S49 PolarHBondContact OD1-OG 3.35Å; D47-S49 PolarHBondContact OD2-OG 3.42Å; D47-C50 PolarHBondContact O-N 3.37Å; D47-C50 PolarHBondContact OD1-N 3.49Å; D47-C50 PolarHBondContact OD1-SG 3.27Å; D47-C50 VanDerWaalsContact OD1-SG 3.36Å; D47-I51 VanDerWaalsContact O-CG1 3.24Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.46Å; D47-I51 VanDerWaalsContact O-N 3.08Å
48Q96.4Very high95.6Very high74 Ų7461.2 Ų61.235%0.34632%0.315SS..Hα-helixtrans-56.4-38.2179.5-177.317434.800113.1N29 I51 K52 Y62N29-Q48 PolarHBondContact O-N 2.9Å; Q48-I51 PolarHBondContact O-N 2.91Å; Q48-K52 HydrophobicContact CG-CD 4.22Å; Q48-K52 HydrophobicContact CG-CG 4.48Å; Q48-K52 WeakPolarHBondContact O-CB 3.34Å; Q48-K52 WeakPolarHBondContact O-CG 3.46Å; Q48-K52 PolarHBondContact O-N 3.46Å; Q48-Y62 WeakPolarHBondContact CG-OH 3.34Å
49S96.3Very high95.6Very high64 Ų6465.7 Ų65.745%0.44833%0.327SS..Hα-helixtrans-62.5-50.317823.10000111.4D47 I51 K52 E53D47-S49 VanDerWaalsContact C-N 3.27Å; D47-S49 PolarHBondContact O-N 3.35Å; D47-S49 PolarHBondContact OD1-N 2.88Å; D47-S49 VanDerWaalsContact OD1-N 3.14Å; D47-S49 PolarHBondContact OD1-OG 3.35Å; D47-S49 PolarHBondContact OD2-OG 3.42Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.37Å; S49-K52 PolarHBondContact O-N 2.88Å; S49-E53 WeakPolarHBondContact O-CG 3.34Å; S49-E53 PolarHBondContact O-N 2.99Å
50C96Very high95.6Very high47 Ų4762 Ų6232%0.31831%0.308SS..Hα-helixtrans-59.2-41.9177.5-64.80000111.6L46 D47 E53 M54L46-C50 HydrophobicContact CB-CB 4.4Å; D47-C50 PolarHBondContact O-N 3.37Å; D47-C50 PolarHBondContact OD1-N 3.49Å; D47-C50 PolarHBondContact OD1-SG 3.27Å; D47-C50 VanDerWaalsContact OD1-SG 3.36Å; C50-E53 PolarHBondContact O-N 3.46Å; C50-M54 VanDerWaalsContact O-CG 3.23Å; C50-M54 WeakPolarHBondContact O-CG 3.41Å; C50-M54 PolarHBondContact O-N 2.94Å
51I96.4Very high95.6Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-67.2-38.1-179.7-59.8165.5000110.8I28 I31 L46 D47 Q48 S49 M54 A55 Y62 Y65 L69I28-I51 HydrophobicContact CB-CD1 3.97Å; I28-I51 HydrophobicContact CG2-CD1 3.47Å; I28-I51 VanDerWaalsContact CG2-CD1 3.47Å; I31-I51 HydrophobicContact CG2-CD1 4.08Å; L46-I51 HydrophobicContact CB-CD1 4.41Å; L46-I51 HydrophobicContact CB-CG1 4.02Å; D47-I51 VanDerWaalsContact O-CG1 3.24Å; D47-I51 WeakPolarHBondContact O-CG1 3.48Å; D47-I51 PolarHBondContact O-N 3.46Å; D47-I51 VanDerWaalsContact O-N 3.08Å; Q48-I51 PolarHBondContact O-N 2.91Å; S49-I51 VanDerWaalsContact C-N 3.29Å; S49-I51 PolarHBondContact O-N 3.37Å; I51-M54 PolarHBondContact O-N 3.33Å; I51-A55 PolarHBondContact O-N 3.45Å; I51-Y62 HydrophobicContact CB-CE2 4.11Å; I51-Y62 HydrophobicContact CG2-CE2 3.66Å; I51-Y65 HydrophobicContact CG2-CD1 3.84Å; I51-Y65 HydrophobicContact CG2-CE1 3.89Å; I51-L69 HydrophobicContact CG1-CD2 4.39Å; I51-L69 HydrophobicContact CG2-CD2 4.08Å
52K96.3Very high95.6Very high87 Ų8763.2 Ų63.238%0.37832%0.32SS..Hα-helixtrans-63.1-46.1174.5-78177.9178.6178.70112Q48 S49 M54 A55 E56 Y62Q48-K52 HydrophobicContact CG-CD 4.22Å; Q48-K52 HydrophobicContact CG-CG 4.48Å; Q48-K52 WeakPolarHBondContact O-CB 3.34Å; Q48-K52 WeakPolarHBondContact O-CG 3.46Å; Q48-K52 PolarHBondContact O-N 3.46Å; S49-K52 PolarHBondContact O-N 2.88Å; K52-M54 VanDerWaalsContact C-N 3.27Å; K52-M54 PolarHBondContact O-N 3.14Å; K52-A55 WeakPolarHBondContact O-CB 3.34Å; K52-A55 PolarHBondContact O-N 2.93Å; K52-A55 VanDerWaalsContact O-N 3.1Å; K52-E56 WeakPolarHBondContact O-CG 3.41Å; K52-E56 PolarHBondContact O-N 3.06Å; K52-Y62 HydrophobicContact CB-CD2 4.26Å; K52-Y62 HydrophobicContact CB-CE2 4.29Å; K52-Y62 HydrophobicContact CG-CD2 3.42Å; K52-Y62 VanDerWaalsContact CG-CD2 3.42Å; K52-Y62 HydrophobicContact CG-CE2 3.39Å; K52-Y62 HydrophobicContact CG-CG 4.04Å
53E96.5Very high95.5Very high108 Ų10869 Ų6951%0.50534%0.342SS..Hα-helixtrans-58.6-41175.7-71.6173.7-170.900111.6S49 C50 E56 Q57S49-E53 WeakPolarHBondContact O-CG 3.34Å; S49-E53 PolarHBondContact O-N 2.99Å; C50-E53 PolarHBondContact O-N 3.46Å; E53-E56 PolarHBondContact O-N 2.91Å; E53-Q57 VanDerWaalsContact O-CG 3.27Å; E53-Q57 WeakPolarHBondContact O-CG 3.45Å; E53-Q57 PolarHBondContact O-N 3.27Å
54M96.4Very high95.2Very high16 Ų1668.9 Ų68.98%0.07934%0.342CS..Hα-helixtrans-67.3-38.3175.6-66.2178.281.300112.5L46 C50 I51 K52 E56 Q57 S58 Y65 W101 I116L46-M54 HydrophobicContact CD1-SD 4.27Å; C50-M54 VanDerWaalsContact O-CG 3.23Å; C50-M54 WeakPolarHBondContact O-CG 3.41Å; C50-M54 PolarHBondContact O-N 2.94Å; I51-M54 PolarHBondContact O-N 3.33Å; K52-M54 VanDerWaalsContact C-N 3.27Å; K52-M54 PolarHBondContact O-N 3.14Å; M54-E56 VanDerWaalsContact C-N 3.33Å; M54-E56 PolarHBondContact O-N 3.07Å; M54-Q57 PolarHBondContact O-N 3.4Å; M54-S58 WeakPolarHBondContact O-CB 3.29Å; M54-S58 PolarHBondContact O-N 3.48Å; M54-S58 PolarHBondContact O-OG 3.27Å; M54-Y65 HydrophobicContact CB-CE1 3.81Å; M54-Y65 HydrophobicContact CB-CE2 4.46Å; M54-Y65 WeakPolarHBondContact CB-OH 3.38Å; M54-Y65 WeakPolarHBondContact CE-OH 3.4Å; M54-W101 HydrophobicContact CE-CH2 3.47Å; M54-W101 VanDerWaalsContact CE-CH2 3.47Å; M54-W101 HydrophobicContact CE-CZ2 3.65Å; M54-W101 HydrophobicContact CE-CZ3 4.48Å; M54-I116 HydrophobicContact CE-CG2 3.83Å; M54-I116 HydrophobicContact SD-CG2 4.15Å
55A95.7Very high95.1Very high2 Ų267.6 Ų67.62%0.01733%0.334CS..Hα-helixtrans-59.6-46.3175.100000110.9I51 K52 S58 N59 L60 Y62 Y65I51-A55 PolarHBondContact O-N 3.45Å; K52-A55 WeakPolarHBondContact O-CB 3.34Å; K52-A55 PolarHBondContact O-N 2.93Å; K52-A55 VanDerWaalsContact O-N 3.1Å; A55-S58 WeakPolarHBondContact CA-OG 3.32Å; A55-S58 CarbonylContact O-C 3.55Å; A55-S58 WeakPolarHBondContact O-CA 3.32Å; A55-S58 PolarHBondContact O-N 2.96Å; A55-S58 VanDerWaalsContact O-N 3.1Å; A55-S58 PolarHBondContact O-OG 2.95Å; A55-N59 PolarHBondContact O-N 3.43Å; A55-N59 VanDerWaalsContact O-N 3.12Å; A55-L60 CarbonylContact C-O 3.55Å; A55-L60 PolarHBondContact O-N 3.35Å; A55-L60 VanDerWaalsContact O-N 3.11Å; A55-Y62 HydrophobicContact CB-CD2 4.28Å; A55-Y65 VanDerWaalsContact CB-CB 3.48Å; A55-Y65 HydrophobicContact CB-CD1 3.78Å; A55-Y65 HydrophobicContact CB-CD2 4.22Å; A55-Y65 HydrophobicContact CB-CG 3.54Å
56E95.5Very high95Very high140 Ų14060.8 Ų60.865%0.65431%0.305SS*.Hα-helixtrans-60.5-45.9175.5-70.6173.9-171.700112K52 E53 M54 S58 N59K52-E56 WeakPolarHBondContact O-CG 3.41Å; K52-E56 PolarHBondContact O-N 3.06Å; E53-E56 PolarHBondContact O-N 2.91Å; M54-E56 VanDerWaalsContact C-N 3.33Å; M54-E56 PolarHBondContact O-N 3.07Å; E56-S58 PolarHBondContact O-N 3.27Å; E56-N59 PolarHBondContact O-N 3Å
57Q94.7Very high94.7Very high146 Ų14664.9 Ų64.968%0.68232%0.323SS*.Hα-helixtrans-61.3-29.4175.3-71.8170.81900112.6E53 M54E53-Q57 VanDerWaalsContact O-CG 3.27Å; E53-Q57 WeakPolarHBondContact O-CG 3.45Å; E53-Q57 PolarHBondContact O-N 3.27Å; M54-Q57 PolarHBondContact O-N 3.4Å
58S92.2Very high94.4Very high3 Ų362.7 Ų62.72%0.02131%0.311CS..THydrogen-bonded Turntrans-90.19.6175.277.60000113.9M54 A55 E56 L60 Y65 Y111M54-S58 WeakPolarHBondContact O-CB 3.29Å; M54-S58 PolarHBondContact O-N 3.48Å; M54-S58 PolarHBondContact O-OG 3.27Å; A55-S58 WeakPolarHBondContact CA-OG 3.32Å; A55-S58 CarbonylContact O-C 3.55Å; A55-S58 WeakPolarHBondContact O-CA 3.32Å; A55-S58 PolarHBondContact O-N 2.96Å; A55-S58 VanDerWaalsContact O-N 3.1Å; A55-S58 PolarHBondContact O-OG 2.95Å; E56-S58 PolarHBondContact O-N 3.27Å; S58-L60 WeakPolarHBondContact O-CG 3.34Å; S58-L60 PolarHBondContact O-N 3.31Å; S58-Y65 WeakPolarHBondContact OG-CD2 3.35Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.45Å; S58-Y111 WeakPolarHBondContact CA-OH 3.25Å; S58-Y111 PolarHBondContact O-OH 3.05Å
59N92.1Very high94.2Very high146 Ų14659.2 Ų59.278%0.78129%0.294SS*.THydrogen-bonded Turntrans46.832.4-178.2-64.2-51.4000113.9A55 E56A55-N59 PolarHBondContact O-N 3.43Å; A55-N59 VanDerWaalsContact O-N 3.12Å; E56-N59 PolarHBondContact O-N 3Å
60L92.3Very high94Very high56 Ų5657.7 Ų57.729%0.29328%0.281SS..  trans-112145.1176.8-72.4174.7000108.5A55 S58 Y65 Q68 L113A55-L60 CarbonylContact C-O 3.55Å; A55-L60 PolarHBondContact O-N 3.35Å; A55-L60 VanDerWaalsContact O-N 3.11Å; S58-L60 WeakPolarHBondContact O-CG 3.34Å; S58-L60 PolarHBondContact O-N 3.31Å; L60-Y65 HydrophobicContact CD1-CD2 4.11Å; L60-Q68 HydrophobicContact CD1-CG 4.3Å; L60-L113 HydrophobicContact CD1-CD2 3.86Å
61D94.2Very high93.6Very high91 Ų9156.2 Ų56.249%0.48727%0.273SS..  trans-63.4154.9166.274.587.2000109.8R63 S64 Y65D61-R63 VanDerWaalsContact C-N 3.25Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-R63 WeakPolarHBondContact OD1-CB 3.3Å; D61-R63 PolarHBondContact OD1-N 2.97Å; D61-S64 PolarHBondContact O-N 3.49Å; D61-S64 PolarHBondContact OD1-N 2.66Å; D61-S64 PolarHBondContact OD1-OG 2.93Å; D61-S64 WeakPolarHBondContact OD2-CB 3.45Å; D61-S64 PolarHBondContact OD2-OG 2.97Å; D61-Y65 WeakPolarHBondContact O-CB 3.24Å; D61-Y65 PolarHBondContact O-N 3.19Å
62Y95.2Very high93.4Very high39 Ų3956.3 Ų56.315%0.15327%0.273CS..Hα-helixtrans-57.8-37.6-171.9-177.2-119.5000113.8C27 I28 Q48 I51 K52 A55 C66C27-Y62 HydrophobicContact CB-CD1 4.36Å; C27-Y62 HydrophobicContact CB-CE1 3.78Å; I28-Y62 PolarHBondContact O-OH 3.23Å; Q48-Y62 WeakPolarHBondContact CG-OH 3.34Å; I51-Y62 HydrophobicContact CB-CE2 4.11Å; I51-Y62 HydrophobicContact CG2-CE2 3.66Å; K52-Y62 HydrophobicContact CB-CD2 4.26Å; K52-Y62 HydrophobicContact CB-CE2 4.29Å; K52-Y62 HydrophobicContact CG-CD2 3.42Å; K52-Y62 VanDerWaalsContact CG-CD2 3.42Å; K52-Y62 HydrophobicContact CG-CE2 3.39Å; K52-Y62 HydrophobicContact CG-CG 4.04Å; A55-Y62 HydrophobicContact CB-CD2 4.28Å; Y62-C66 PolarHBondContact O-N 3.01Å; Y62-C66 PolarHBondContact O-SG 3.39Å
63R94.1Very high93.1Very high129 Ų12952.1 Ų52.149%0.48726%0.255SS..Hα-helixtrans-72-48.5-178-177178.7-177.81414.3110.4S26 D61 Y65 C66 E67S26-R63 PolarHBondContact OG-NH2 3.25Å; D61-R63 VanDerWaalsContact C-N 3.25Å; D61-R63 PolarHBondContact O-N 3.25Å; D61-R63 WeakPolarHBondContact OD1-CB 3.3Å; D61-R63 PolarHBondContact OD1-N 2.97Å; R63-Y65 VanDerWaalsContact C-N 3.25Å; R63-Y65 PolarHBondContact O-N 3.42Å; R63-C66 WeakPolarHBondContact O-CB 3.41Å; R63-C66 PolarHBondContact O-N 2.99Å; R63-C66 VanDerWaalsContact O-N 3.11Å; R63-E67 IonicContact NE-OE1 3.97Å; R63-E67 PolarHBondContact O-N 2.89Å
64S92.5Very high92.2Very high40 Ų4047.1 Ų47.128%0.2823%0.232SC..Hα-helixtrans-58.5-39.5175-63.60000111.7D61 E67 Q68D61-S64 PolarHBondContact O-N 3.49Å; D61-S64 PolarHBondContact OD1-N 2.66Å; D61-S64 PolarHBondContact OD1-OG 2.93Å; D61-S64 WeakPolarHBondContact OD2-CB 3.45Å; D61-S64 PolarHBondContact OD2-OG 2.97Å; S64-E67 PolarHBondContact O-N 3.46Å; S64-Q68 WeakPolarHBondContact O-CG 3.42Å; S64-Q68 PolarHBondContact O-N 2.96Å; S64-Q68 VanDerWaalsContact O-N 3.09Å
65Y94.4Very high91Very high1 Ų148.3 Ų48.30%0.00425%0.249CC..Hα-helixtrans-64.4-42.2175.4-173.5-100.2000112.3I51 M54 A55 S58 L60 D61 R63 E67 Q68 L69 L113I51-Y65 HydrophobicContact CG2-CD1 3.84Å; I51-Y65 HydrophobicContact CG2-CE1 3.89Å; M54-Y65 HydrophobicContact CB-CE1 3.81Å; M54-Y65 HydrophobicContact CB-CE2 4.46Å; M54-Y65 WeakPolarHBondContact CB-OH 3.38Å; M54-Y65 WeakPolarHBondContact CE-OH 3.4Å; A55-Y65 VanDerWaalsContact CB-CB 3.48Å; A55-Y65 HydrophobicContact CB-CD1 3.78Å; A55-Y65 HydrophobicContact CB-CD2 4.22Å; A55-Y65 HydrophobicContact CB-CG 3.54Å; S58-Y65 WeakPolarHBondContact OG-CD2 3.35Å; S58-Y65 WeakPolarHBondContact OG-CE2 3.45Å; L60-Y65 HydrophobicContact CD1-CD2 4.11Å; D61-Y65 WeakPolarHBondContact O-CB 3.24Å; D61-Y65 PolarHBondContact O-N 3.19Å; R63-Y65 VanDerWaalsContact C-N 3.25Å; R63-Y65 PolarHBondContact O-N 3.42Å; Y65-E67 VanDerWaalsContact C-N 3.31Å; Y65-E67 PolarHBondContact O-N 3Å; Y65-Q68 PolarHBondContact O-N 2.98Å; Y65-L69 HydrophobicContact CE1-CB 4.47Å; Y65-L69 HydrophobicContact CE1-CD2 4.16Å; Y65-L69 WeakPolarHBondContact O-CB 3.42Å; Y65-L69 PolarHBondContact O-N 3.01Å; Y65-L113 WeakPolarHBondContact CE2-O 3.3Å; Y65-L113 PolarHBondContact OH-O 3.21Å
66C93.7Very high89.7Confident0 Ų051.3 Ų51.30%027%0.267CS..Hα-helixtrans-58.6-42.7175.8-73.30000112I28 Y62 R63 L69 L70I28-C66 HydrophobicContact CD1-CB 3.88Å; I28-C66 HydrophobicContact CG1-CB 3.92Å; I28-C66 PolarHBondContact N-SG 3.13Å; I28-C66 VanDerWaalsContact N-SG 3.37Å; Y62-C66 PolarHBondContact O-N 3.01Å; Y62-C66 PolarHBondContact O-SG 3.39Å; R63-C66 WeakPolarHBondContact O-CB 3.41Å; R63-C66 PolarHBondContact O-N 2.99Å; R63-C66 VanDerWaalsContact O-N 3.11Å; C66-L69 PolarHBondContact O-N 3.27Å; C66-L70 WeakPolarHBondContact O-CB 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.5Å; C66-L70 PolarHBondContact O-N 2.94Å
67E90.7Very high88.1Confident97 Ų9754 Ų5445%0.45328%0.276SS..Hα-helixtrans-62.2-45176.3-68.6173.9-175.200111.6R63 S64 Y65 L69 L70 A71R63-E67 IonicContact NE-OE1 3.97Å; R63-E67 PolarHBondContact O-N 2.89Å; S64-E67 PolarHBondContact O-N 3.46Å; Y65-E67 VanDerWaalsContact C-N 3.31Å; Y65-E67 PolarHBondContact O-N 3Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.37Å; E67-L70 PolarHBondContact O-N 3.28Å; E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.07Å
68Q90.7Very high86.2Confident30 Ų3049.2 Ų49.214%0.1426%0.259CS..Hα-helixtrans-64.4-37.7176-66.8-58.8-43.500112.6L60 S64 Y65 A71 A72 Y84 L113L60-Q68 HydrophobicContact CD1-CG 4.3Å; S64-Q68 WeakPolarHBondContact O-CG 3.42Å; S64-Q68 PolarHBondContact O-N 2.96Å; S64-Q68 VanDerWaalsContact O-N 3.09Å; Y65-Q68 PolarHBondContact O-N 2.98Å; Q68-A71 PolarHBondContact O-N 3.43Å; Q68-A72 VanDerWaalsContact O-CB 3.3Å; Q68-A72 WeakPolarHBondContact O-CB 3.35Å; Q68-A72 PolarHBondContact O-N 2.92Å; Q68-Y84 PolarHBondContact OE1-OH 3.39Å; Q68-L113 HydrophobicContact CB-CD1 4.21Å; Q68-L113 HydrophobicContact CB-CD2 4.28Å
69L92.9Very high84.4Confident1 Ų157.4 Ų57.41%0.00530%0.303CS..Hα-helixtrans-67.2-42.2178.1-174.359.1000111.6I28 I31 I51 Y65 C66 E67 A71 A72 I73 W101I28-L69 HydrophobicContact CD1-CB 4.18Å; I28-L69 HydrophobicContact CD1-CD2 3.84Å; I28-L69 HydrophobicContact CD1-CG 4.22Å; I31-L69 HydrophobicContact CG2-CD2 4.48Å; I51-L69 HydrophobicContact CG1-CD2 4.39Å; I51-L69 HydrophobicContact CG2-CD2 4.08Å; Y65-L69 HydrophobicContact CE1-CB 4.47Å; Y65-L69 HydrophobicContact CE1-CD2 4.16Å; Y65-L69 WeakPolarHBondContact O-CB 3.42Å; Y65-L69 PolarHBondContact O-N 3.01Å; C66-L69 PolarHBondContact O-N 3.27Å; E67-L69 VanDerWaalsContact C-N 3.34Å; E67-L69 PolarHBondContact O-N 3.37Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A72 PolarHBondContact O-N 3.37Å; L69-I73 HydrophobicContact CD1-CD1 3.5Å; L69-I73 HydrophobicContact CD1-CG1 4.07Å; L69-I73 WeakPolarHBondContact O-CB 3.5Å; L69-I73 PolarHBondContact O-N 2.93Å; L69-W101 HydrophobicContact CD1-CH2 4.22Å; L69-W101 HydrophobicContact CD1-CZ2 3.5Å; L69-W101 VanDerWaalsContact CD1-CZ2 3.5Å
70L90.5Very high83Confident32 Ų3255.9 Ų55.917%0.16829%0.294CS..Hα-helixtrans-63.6-38.5174.3-77.3175.9000112.3M1 V21 I28 C66 E67 G74 G75 V76M1-L70 HydrophobicContact CE-CD2 3.97Å; V21-L70 HydrophobicContact CB-CD2 4.28Å; V21-L70 HydrophobicContact CG1-CD2 3.93Å; V21-L70 HydrophobicContact CG2-CD2 3.79Å; I28-L70 HydrophobicContact CD1-CD2 4.38Å; I28-L70 HydrophobicContact CD1-CG 4.05Å; I28-L70 HydrophobicContact CG1-CG 4.48Å; C66-L70 WeakPolarHBondContact O-CB 3.29Å; C66-L70 WeakPolarHBondContact O-CG 3.5Å; C66-L70 PolarHBondContact O-N 2.94Å; E67-L70 PolarHBondContact O-N 3.28Å; L70-G74 CarbonylContact O-C 3.46Å; L70-G74 VanDerWaalsContact O-C 3.29Å; L70-G74 WeakPolarHBondContact O-CA 3.45Å; L70-G74 PolarHBondContact O-N 2.95Å; L70-G75 PolarHBondContact O-N 3.24Å; L70-V76 PolarHBondContact O-N 3.44Å
71A89.4Confident81.4Confident17 Ų1760 Ų6014%0.1432%0.321CS..Hα-helixtrans-69.4-42.1176.400000112.3E67 Q68 L69 V76 Y84E67-A71 WeakPolarHBondContact O-CB 3.31Å; E67-A71 PolarHBondContact O-N 3.07Å; Q68-A71 PolarHBondContact O-N 3.43Å; L69-A71 VanDerWaalsContact C-N 3.33Å; A71-V76 VanDerWaalsContact CA-O 3.3Å; A71-V76 WeakPolarHBondContact CA-O 3.4Å; A71-Y84 HydrophobicContact CB-CE2 3.93Å; A71-Y84 VanDerWaalsContact CB-OH 3.25Å; A71-Y84 WeakPolarHBondContact CB-OH 3.46Å
72A90.6Very high80.3Confident1 Ų157.1 Ų57.11%0.00831%0.307CS..Hα-helixtrans-72.6-36.9-178.700000114Q68 L69 Y84 Y86 W101Q68-A72 VanDerWaalsContact O-CB 3.3Å; Q68-A72 WeakPolarHBondContact O-CB 3.35Å; Q68-A72 PolarHBondContact O-N 2.92Å; L69-A72 PolarHBondContact O-N 3.37Å; A72-Y84 HydrophobicContact CB-CD1 3.72Å; A72-Y84 HydrophobicContact CB-CD2 4.37Å; A72-Y84 HydrophobicContact CB-CE1 3.76Å; A72-Y84 HydrophobicContact CB-CE2 4.41Å; A72-Y84 HydrophobicContact CB-CG 4.04Å; A72-Y86 PolarHBondContact O-OH 3.47Å; A72-W101 HydrophobicContact CB-CG 4.41Å
73I89.9Confident79.8Confident0 Ų060.8 Ų60.80%033%0.326CS..THydrogen-bonded Turntrans-121.3-35.8-169.4-57.2-173.2000111.8I17 I31 I33 L69 G75 F99 W101I17-I73 HydrophobicContact CG2-CG2 3.67Å; I31-I73 HydrophobicContact CD1-CG2 4.1Å; I33-I73 HydrophobicContact CD1-CD1 3.87Å; I33-I73 HydrophobicContact CD1-CG2 3.98Å; I33-I73 HydrophobicContact CG1-CG2 4.09Å; I33-I73 HydrophobicContact CG2-CG2 4.37Å; L69-I73 HydrophobicContact CD1-CD1 3.5Å; L69-I73 HydrophobicContact CD1-CG1 4.07Å; L69-I73 WeakPolarHBondContact O-CB 3.5Å; L69-I73 PolarHBondContact O-N 2.93Å; I73-G75 PolarHBondContact O-N 3.34Å; I73-F99 HydrophobicContact CD1-CE1 4.01Å; I73-F99 HydrophobicContact CG1-CE1 4.41Å; I73-W101 HydrophobicContact CD1-CD2 4.25Å; I73-W101 HydrophobicContact CD1-CE3 4.18Å; I73-W101 HydrophobicContact CD1-CH2 3.86Å; I73-W101 HydrophobicContact CD1-CZ2 3.99Å; I73-W101 HydrophobicContact CD1-CZ3 3.99Å
74G78.1Confident79.6Confident2 Ų256 Ų562%0.02131%0.308CS..SBendtrans-79.35.7-177.300000114.9A3 L70 V76A3-G74 WeakPolarHBondContact CB-O 3.43Å; L70-G74 CarbonylContact O-C 3.46Å; L70-G74 VanDerWaalsContact O-C 3.29Å; L70-G74 WeakPolarHBondContact O-CA 3.45Å; L70-G74 PolarHBondContact O-N 2.95Å; G74-V76 PolarHBondContact O-N 2.86Å
75G71.7Confident79.5Confident42 Ų4257.9 Ų57.943%0.43331%0.311SS..  trans63.69.8178.600000114.7L70 I73 K77L70-G75 PolarHBondContact O-N 3.24Å; I73-G75 PolarHBondContact O-N 3.34Å; G75-K77 PolarHBondContact O-N 3.4Å
76V68.7Low79.5Confident65 Ų6558.9 Ų58.939%0.39432%0.315SS..  trans-78.2105.7177.5-176.30000107.6M1 L70 A71 G74 S78M1-V76 HydrophobicContact CE-CG2 3.63Å; L70-V76 PolarHBondContact O-N 3.44Å; A71-V76 VanDerWaalsContact CA-O 3.3Å; A71-V76 WeakPolarHBondContact CA-O 3.4Å; G74-V76 PolarHBondContact O-N 2.86Å; V76-S78 PolarHBondContact O-N 3.45Å; V76-S78 VanDerWaalsContact O-N 3.16Å
77K61.3Low79.5Confident197 Ų19762.4 Ų62.486%0.85733%0.334SS*.  trans-65.7117.7172.3-66.3-173.8179.1-177.80108.3G75G75-K77 PolarHBondContact O-N 3.4Å
78S55.7Low79.7Confident45 Ų4558.7 Ų58.732%0.31532%0.317SS..  trans-65151.8164.862.50000109V76 D80 T82V76-S78 PolarHBondContact O-N 3.45Å; V76-S78 VanDerWaalsContact O-N 3.16Å; S78-D80 PolarHBondContact O-N 3.25Å; S78-D80 PolarHBondContact OG-O 2.9Å; S78-T82 PolarHBondContact OG-OG1 2.9Å
79N54.8Low79.8Confident175 Ų17560.8 Ų60.894%0.93633%0.332SS*.SBendtrans-61.3-24.8173.9-71.8-17.1000112.2
80D62Low79.7Confident114 Ų11462.9 Ų62.961%0.6135%0.346SS*.SBendtrans-77.5140.2170.2-67.8-26.1000110.4S78 T82S78-D80 PolarHBondContact O-N 3.25Å; S78-D80 PolarHBondContact OG-O 2.9Å; D80-T82 HydrophobicContact CB-CG2 4.01Å; D80-T82 PolarHBondContact O-N 3.03Å
81V59.3Low79.7Confident141 Ų14164.3 Ų64.386%0.85535%0.354SS*.  trans-67.473171.1-173.30000108.6
82T70.5Confident79.4Confident31 Ų3169.4 Ų69.419%0.1938%0.379CS..  trans-87.7112.717652.10000108.6S78 D80S78-T82 PolarHBondContact OG-OG1 2.9Å; D80-T82 HydrophobicContact CB-CG2 4.01Å; D80-T82 PolarHBondContact O-N 3.03Å
83E85Confident79.2Confident117 Ų11775.8 Ų75.855%0.54742%0.417SS..  trans-90.8132.2171.9-68.9-175.9174.600109.6A104E83-A104 HydrophobicContact CB-CB 3.95Å; E83-A104 WeakPolarHBondContact O-CB 3.43Å; E83-A104 PolarHBondContact O-N 3.31Å
84Y89.6Confident79Confident29 Ų2979.7 Ų79.711%0.11444%0.441CS..EExtended strand (participates in β ladder)trans-111.9139.7174-64.7-82.6000109.9Q68 A71 A72 K102 R103 L113Q68-Y84 PolarHBondContact OE1-OH 3.39Å; A71-Y84 HydrophobicContact CB-CE2 3.93Å; A71-Y84 VanDerWaalsContact CB-OH 3.25Å; A71-Y84 WeakPolarHBondContact CB-OH 3.46Å; A72-Y84 HydrophobicContact CB-CD1 3.72Å; A72-Y84 HydrophobicContact CB-CD2 4.37Å; A72-Y84 HydrophobicContact CB-CE1 3.76Å; A72-Y84 HydrophobicContact CB-CE2 4.41Å; A72-Y84 HydrophobicContact CB-CG 4.04Å; Y84-K102 CarbonylContact C-O 3.33Å; Y84-K102 VanDerWaalsContact CA-O 3.25Å; Y84-K102 WeakPolarHBondContact CA-O 3.47Å; Y84-R103 HydrophobicContact CD1-CB 4.13Å; Y84-R103 HydrophobicContact CE1-CB 3.97Å; Y84-R103 HydrophobicContact CE1-CG 4.11Å; Y84-L113 HydrophobicContact CD1-CD1 4.09Å; Y84-L113 HydrophobicContact CE1-CD1 3.63Å
85F90.7Very high79.4Confident79 Ų7983.4 Ų83.435%0.34647%0.466SS..EExtended strand (participates in β ladder)trans-107.1138.7173.4-59.1-73.5000109.8V10 W101 K102 A104V10-F85 HydrophobicContact CG2-CB 4.49Å; F85-W101 CarbonylContact O-C 3.56Å; F85-W101 VanDerWaalsContact O-CA 3.27Å; F85-W101 WeakPolarHBondContact O-CA 3.42Å; F85-K102 HydrophobicContact CB-CB 4.46Å; F85-K102 PolarHBondContact N-O 2.98Å; F85-K102 PolarHBondContact O-N 3.2Å; F85-A104 HydrophobicContact CD2-CB 4.37Å; F85-A104 HydrophobicContact CE2-CB 3.53Å; F85-A104 HydrophobicContact CZ-CB 4.14Å
86Y93.7Very high80.4Confident21 Ų2182 Ų828%0.08245%0.45CS..EExtended strand (participates in β ladder)trans-120.9130.9-177-55-83.9000110.2V7 T9 V10 I17 A72 F99 T100 W101V7-Y86 HydrophobicContact CB-CD2 3.77Å; V7-Y86 HydrophobicContact CB-CE2 3.84Å; V7-Y86 HydrophobicContact CB-CG 4.19Å; V7-Y86 HydrophobicContact CG1-CD2 4.07Å; V7-Y86 HydrophobicContact CG1-CE1 4.15Å; V7-Y86 HydrophobicContact CG1-CE2 3.64Å; V7-Y86 HydrophobicContact CG1-CG 4.49Å; V7-Y86 HydrophobicContact CG2-CD2 4.49Å; V7-Y86 HydrophobicContact CG2-CG 4.46Å; T9-Y86 VanDerWaalsContact CA-O 3.29Å; T9-Y86 WeakPolarHBondContact CA-O 3.42Å; V10-Y86 PolarHBondContact N-O 3.12Å; I17-Y86 HydrophobicContact CD1-CE1 4.43Å; A72-Y86 PolarHBondContact O-OH 3.47Å; Y86-F99 AromaticContact CD1-CE2 3.57Å; Y86-F99 HydrophobicContact CD1-CE2 3.57Å; Y86-F99 AromaticContact CD1-CZ 3.57Å; Y86-F99 HydrophobicContact CD1-CZ 3.57Å; Y86-F99 HydrophobicContact CE1-CE2 4.44Å; Y86-F99 HydrophobicContact CE1-CZ 4.01Å; Y86-F99 HydrophobicContact CG-CE2 4.26Å; Y86-T100 WeakPolarHBondContact CA-O 3.47Å; Y86-W101 HydrophobicContact CD1-CB 3.82Å; Y86-W101 HydrophobicContact CE1-CB 3.98Å
87D94Very high81.6Confident75 Ų7579 Ų7940%0.40143%0.431SS..EExtended strand (participates in β ladder)trans-118.9127.2172.8-174.219.9000108.7T100D87-T100 PolarHBondContact N-O 3.11Å; D87-T100 PolarHBondContact O-N 3.41Å
88I94.5Very high83.2Confident18 Ų1874.4 Ų74.49%0.09241%0.411CS..EExtended strand (participates in β ladder)trans-129.4111.1-173.1-67.8171.9000107.6T9 Y15 L35 V97 K98 F99T9-I88 HydrophobicContact CG2-CB 3.94Å; T9-I88 HydrophobicContact CG2-CD1 3.53Å; T9-I88 HydrophobicContact CG2-CG1 3.79Å; Y15-I88 HydrophobicContact CD1-CD1 3.86Å; Y15-I88 HydrophobicContact CD2-CD1 3.42Å; Y15-I88 VanDerWaalsContact CD2-CD1 3.42Å; Y15-I88 HydrophobicContact CE1-CD1 4.16Å; Y15-I88 HydrophobicContact CE1-CG2 3.93Å; Y15-I88 HydrophobicContact CE2-CB 4.29Å; Y15-I88 HydrophobicContact CE2-CD1 3.76Å; Y15-I88 HydrophobicContact CE2-CG2 4.26Å; Y15-I88 HydrophobicContact CG-CD1 3.47Å; Y15-I88 VanDerWaalsContact CG-CD1 3.47Å; L35-I88 HydrophobicContact CD1-CD1 3.96Å; L35-I88 HydrophobicContact CD2-CD1 3.88Å; L35-I88 HydrophobicContact CD2-CG1 4.24Å; L35-I88 HydrophobicContact CD2-CG2 4.17Å; L35-I88 HydrophobicContact CG-CD1 4.46Å; I88-V97 HydrophobicContact CG2-CG1 3.58Å; I88-K98 WeakPolarHBondContact CA-O 3.48Å; I88-F99 HydrophobicContact CD1-CD2 4.15Å; I88-F99 HydrophobicContact CD1-CE2 4.29Å; I88-F99 HydrophobicContact CG1-CD2 3.67Å; I88-F99 HydrophobicContact CG1-CE2 4.21Å
89V93.2Very high85.1Confident75 Ų7572.3 Ų72.346%0.45540%0.396SS..EExtended strand (participates in β ladder)trans-113.5114.5178.6-176.90000108.8V97 K98V89-V97 WeakPolarHBondContact O-CA 3.4Å; V89-K98 HydrophobicContact CB-CB 4.37Å; V89-K98 PolarHBondContact N-O 3.26Å; V89-K98 PolarHBondContact O-N 3Å
90C90.8Very high87.1Confident44 Ų4464.6 Ų64.630%0.29736%0.356SS..EExtended strand (participates in β ladder)trans-83.8130.4174.3-59.70000110V97C90-V97 HydrophobicContact CB-CG2 4.32Å
91D90Very high88.6Confident63 Ų6359.1 Ų59.134%0.33733%0.327SS..EExtended strand (participates in β ladder)trans-108.5102.8168.2178.3-0.2000108.6V93 T94 C95 S96D91-V93 PolarHBondContact O-N 3.1Å; D91-V93 VanDerWaalsContact OD1-CB 3.32Å; D91-V93 WeakPolarHBondContact OD1-CB 3.35Å; D91-V93 PolarHBondContact OD1-N 3.39Å; D91-T94 WeakPolarHBondContact CB-OG1 3.44Å; D91-T94 PolarHBondContact OD1-N 3Å; D91-T94 WeakPolarHBondContact OD2-CB 3.45Å; D91-T94 VanDerWaalsContact OD2-CG2 3.22Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.46Å; D91-T94 PolarHBondContact OD2-OG1 3.37Å; D91-C95 WeakPolarHBondContact O-CA 3.38Å; D91-C95 PolarHBondContact O-N 2.87Å; D91-S96 PolarHBondContact N-O 2.87Å; D91-S96 PolarHBondContact O-N 3.02Å; D91-S96 VanDerWaalsContact O-N 3.11Å
92D84.6Confident90.2Very high124 Ų12456.1 Ų56.166%0.66330%0.302SS*.THydrogen-bonded Turntrans-69.5-20.9-179.9-67.6-36.8000112.4R40R40-D92 IonicContact NH1-OD1 3.85Å
93V84.7Confident91.1Very high135 Ų13558 Ų5882%0.81831%0.306SS*.THydrogen-bonded Turntrans-73.9-44.5178.7-177.70000110.3D91D91-V93 PolarHBondContact O-N 3.1Å; D91-V93 VanDerWaalsContact OD1-CB 3.32Å; D91-V93 WeakPolarHBondContact OD1-CB 3.35Å; D91-V93 PolarHBondContact OD1-N 3.39Å
94T85.6Confident91.3Very high81 Ų8153.4 Ų53.450%0.49729%0.288SS..THydrogen-bonded Turntrans-92.10.4179.961.30000113.3D91 S96D91-T94 WeakPolarHBondContact CB-OG1 3.44Å; D91-T94 PolarHBondContact OD1-N 3Å; D91-T94 WeakPolarHBondContact OD2-CB 3.45Å; D91-T94 VanDerWaalsContact OD2-CG2 3.22Å; D91-T94 WeakPolarHBondContact OD2-CG2 3.46Å; D91-T94 PolarHBondContact OD2-OG1 3.37Å; T94-S96 PolarHBondContact O-N 2.86Å; T94-S96 PolarHBondContact OG1-OG 3.41Å
95C86.9Confident91.1Very high81 Ų8157 Ų5755%0.54731%0.309SS..THydrogen-bonded Turntrans49.643.8-173.7-69.10000111.7D91 S120D91-C95 WeakPolarHBondContact O-CA 3.38Å; D91-C95 PolarHBondContact O-N 2.87Å; C95-S120 WeakPolarHBondContact O-CB 3.48Å; C95-S120 PolarHBondContact O-N 3.5Å
96S92.4Very high90.7Very high13 Ų1357 Ų579%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-137.4160.2-173.477.10000111.6D91 T94 Q117 L118D91-S96 PolarHBondContact N-O 2.87Å; D91-S96 PolarHBondContact O-N 3.02Å; D91-S96 VanDerWaalsContact O-N 3.11Å; T94-S96 PolarHBondContact O-N 2.86Å; T94-S96 PolarHBondContact OG1-OG 3.41Å; S96-Q117 PolarHBondContact OG-NE2 3.14Å; S96-L118 CarbonylContact C-O 3.59Å; S96-L118 VanDerWaalsContact CA-O 3.24Å; S96-L118 WeakPolarHBondContact CA-O 3.2Å; S96-L118 VanDerWaalsContact CB-O 3.26Å; S96-L118 WeakPolarHBondContact CB-O 3.28Å
97V94.5Very high89.8Confident1 Ų165.5 Ų65.51%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-126.1126.6-177.51710000109L35 F42 I88 V89 C90 Q117 L118L35-V97 HydrophobicContact CD2-CG1 3.85Å; F42-V97 HydrophobicContact CD1-CB 4.11Å; F42-V97 HydrophobicContact CD1-CG2 3.44Å; F42-V97 VanDerWaalsContact CD1-CG2 3.44Å; F42-V97 HydrophobicContact CD2-CG2 3.79Å; F42-V97 HydrophobicContact CE1-CG2 3.4Å; F42-V97 HydrophobicContact CE2-CG2 3.74Å; F42-V97 HydrophobicContact CG-CB 4.12Å; F42-V97 HydrophobicContact CG-CG2 3.65Å; F42-V97 HydrophobicContact CZ-CG2 3.55Å; I88-V97 HydrophobicContact CG2-CG1 3.58Å; V89-V97 WeakPolarHBondContact O-CA 3.4Å; C90-V97 HydrophobicContact CB-CG2 4.32Å; V97-Q117 PolarHBondContact O-NE2 2.77Å; V97-L118 HydrophobicContact CG1-CD1 4.41Å; V97-L118 PolarHBondContact N-O 2.92Å; V97-L118 PolarHBondContact O-N 3.1Å
98K95.6Very high89.2Confident101 Ų10168.2 Ų68.244%0.43937%0.374SS..EExtended strand (participates in β ladder)trans-86.4117168.5-172.9-179.6-177.8-177.70108I88 V89 T115I88-K98 WeakPolarHBondContact CA-O 3.48Å; V89-K98 HydrophobicContact CB-CB 4.37Å; V89-K98 PolarHBondContact N-O 3.26Å; V89-K98 PolarHBondContact O-N 3Å; K98-T115 HydrophobicContact CD-CG2 4.17Å; K98-T115 HydrophobicContact CG-CG2 3.74Å
99F95.7Very high88.8Confident0 Ų070.8 Ų70.80%039%0.391CS..EExtended strand (participates in β ladder)trans-111.7121.4178.3175.4-129.8000109.7I17 I73 Y86 I88 W101 T115 I116 L118I17-F99 HydrophobicContact CD1-CE1 4.28Å; I17-F99 HydrophobicContact CD1-CE2 4.42Å; I17-F99 HydrophobicContact CD1-CZ 3.63Å; I73-F99 HydrophobicContact CD1-CE1 4.01Å; I73-F99 HydrophobicContact CG1-CE1 4.41Å; Y86-F99 AromaticContact CD1-CE2 3.57Å; Y86-F99 HydrophobicContact CD1-CE2 3.57Å; Y86-F99 AromaticContact CD1-CZ 3.57Å; Y86-F99 HydrophobicContact CD1-CZ 3.57Å; Y86-F99 HydrophobicContact CE1-CE2 4.44Å; Y86-F99 HydrophobicContact CE1-CZ 4.01Å; Y86-F99 HydrophobicContact CG-CE2 4.26Å; I88-F99 HydrophobicContact CD1-CD2 4.15Å; I88-F99 HydrophobicContact CD1-CE2 4.29Å; I88-F99 HydrophobicContact CG1-CD2 3.67Å; I88-F99 HydrophobicContact CG1-CE2 4.21Å; F99-W101 AromaticContact CD1-CE3 3.86Å; F99-W101 HydrophobicContact CD1-CE3 3.86Å; F99-W101 AromaticContact CD1-CZ3 3.88Å; F99-W101 HydrophobicContact CD1-CZ3 3.88Å; F99-W101 AromaticContact CE1-CE3 3.73Å; F99-W101 HydrophobicContact CE1-CE3 3.73Å; F99-W101 HydrophobicContact CE1-CZ3 4.04Å; F99-W101 HydrophobicContact CZ-CE3 4.32Å; F99-T115 CarbonylContact O-C 3.57Å; F99-T115 VanDerWaalsContact O-CA 3.32Å; F99-T115 WeakPolarHBondContact O-CA 3.39Å; F99-I116 HydrophobicContact CB-CG1 4.06Å; F99-I116 HydrophobicContact CD1-CD1 3.83Å; F99-I116 HydrophobicContact CD1-CG1 3.97Å; F99-I116 PolarHBondContact N-O 3.46Å; F99-I116 PolarHBondContact O-N 3.42Å; F99-L118 HydrophobicContact CB-CD1 3.27Å; F99-L118 HydrophobicContact CD1-CD1 4.42Å; F99-L118 HydrophobicContact CG-CD1 4.2Å
100T95.4Very high88.6Confident13 Ų1369.7 Ų69.78%0.0839%0.387CS..EExtended strand (participates in β ladder)trans-123.3136.1-179.1-700000109.5Y86 D87 K102 G114 T115Y86-T100 WeakPolarHBondContact CA-O 3.47Å; D87-T100 PolarHBondContact N-O 3.11Å; D87-T100 PolarHBondContact O-N 3.41Å; T100-K102 HydrophobicContact CG2-CG 4.49Å; T100-G114 WeakPolarHBondContact CA-O 3.41Å; T100-T115 WeakPolarHBondContact OG1-CG2 3.38Å; T100-T115 PolarHBondContact OG1-OG1 2.84Å
101W93.7Very high88.5Confident0 Ų071 Ų710%039%0.386CS..EExtended strand (participates in β ladder)trans-125.4147.7171.763.7100.8000111.9M54 L69 A72 I73 F85 Y86 F99 L113 G114 I116M54-W101 HydrophobicContact CE-CH2 3.47Å; M54-W101 VanDerWaalsContact CE-CH2 3.47Å; M54-W101 HydrophobicContact CE-CZ2 3.65Å; M54-W101 HydrophobicContact CE-CZ3 4.48Å; L69-W101 HydrophobicContact CD1-CH2 4.22Å; L69-W101 HydrophobicContact CD1-CZ2 3.5Å; L69-W101 VanDerWaalsContact CD1-CZ2 3.5Å; A72-W101 HydrophobicContact CB-CG 4.41Å; I73-W101 HydrophobicContact CD1-CD2 4.25Å; I73-W101 HydrophobicContact CD1-CE3 4.18Å; I73-W101 HydrophobicContact CD1-CH2 3.86Å; I73-W101 HydrophobicContact CD1-CZ2 3.99Å; I73-W101 HydrophobicContact CD1-CZ3 3.99Å; F85-W101 CarbonylContact O-C 3.56Å; F85-W101 VanDerWaalsContact O-CA 3.27Å; F85-W101 WeakPolarHBondContact O-CA 3.42Å; Y86-W101 HydrophobicContact CD1-CB 3.82Å; Y86-W101 HydrophobicContact CE1-CB 3.98Å; F99-W101 AromaticContact CD1-CE3 3.86Å; F99-W101 HydrophobicContact CD1-CE3 3.86Å; F99-W101 AromaticContact CD1-CZ3 3.88Å; F99-W101 HydrophobicContact CD1-CZ3 3.88Å; F99-W101 AromaticContact CE1-CE3 3.73Å; F99-W101 HydrophobicContact CE1-CE3 3.73Å; F99-W101 HydrophobicContact CE1-CZ3 4.04Å; F99-W101 HydrophobicContact CZ-CE3 4.32Å; W101-L113 VanDerWaalsContact CD1-CB 3.47Å; W101-L113 HydrophobicContact CG-CB 4.47Å; W101-L113 VanDerWaalsContact NE1-CB 3.32Å; W101-L113 PolarHBondContact O-N 3.14Å; W101-G114 PolarHBondContact N-O 3Å; W101-G114 PolarHBondContact O-N 3.38Å; W101-I116 HydrophobicContact CH2-CD1 4.31Å; W101-I116 HydrophobicContact CH2-CG2 3.8Å; W101-I116 HydrophobicContact CZ3-CD1 3.95Å; W101-I116 HydrophobicContact CZ3-CG1 4.01Å; W101-I116 HydrophobicContact CZ3-CG2 3.99Å
102K93Very high88.7Confident78 Ų7871.9 Ų71.934%0.33939%0.388SS..EExtended strand (participates in β ladder)trans-133.7148.9179.5-53.7-179.1-176170.40108.9Y84 F85 T100 Y111Y84-K102 CarbonylContact C-O 3.33Å; Y84-K102 VanDerWaalsContact CA-O 3.25Å; Y84-K102 WeakPolarHBondContact CA-O 3.47Å; F85-K102 HydrophobicContact CB-CB 4.46Å; F85-K102 PolarHBondContact N-O 2.98Å; F85-K102 PolarHBondContact O-N 3.2Å; T100-K102 HydrophobicContact CG2-CG 4.49Å; K102-Y111 CarbonylContact C-O 3.56Å; K102-Y111 WeakPolarHBondContact CA-O 3.46Å; K102-Y111 WeakPolarHBondContact CB-O 3.5Å
103R90.8Very high89.1Confident70 Ų7066.2 Ų66.226%0.26436%0.358SS..EExtended strand (participates in β ladder)trans-97.6133.3172.3-178.6-178.7178.2-174.5-0.4109.9Y84 S110 Y111 L113Y84-R103 HydrophobicContact CD1-CB 4.13Å; Y84-R103 HydrophobicContact CE1-CB 3.97Å; Y84-R103 HydrophobicContact CE1-CG 4.11Å; R103-S110 CarbonylContact O-C 3.5Å; R103-S110 VanDerWaalsContact O-CA 3.23Å; R103-S110 WeakPolarHBondContact O-CA 3.27Å; R103-Y111 PolarHBondContact N-O 3.08Å; R103-Y111 PolarHBondContact O-N 3.43Å; R103-L113 HydrophobicContact CB-CD1 3.82Å; R103-L113 HydrophobicContact CB-CG 4.31Å
104A88.3Confident89.6Confident21 Ų2159.9 Ų59.917%0.17432%0.32CS..EExtended strand (participates in β ladder)trans-67.1129.7169.600000110.3E83 F85E83-A104 HydrophobicContact CB-CB 3.95Å; E83-A104 WeakPolarHBondContact O-CB 3.43Å; E83-A104 PolarHBondContact O-N 3.31Å; F85-A104 HydrophobicContact CD2-CB 4.37Å; F85-A104 HydrophobicContact CE2-CB 3.53Å; F85-A104 HydrophobicContact CZ-CB 4.14Å
105L84.8Confident90.1Very high105 Ų10558.5 Ų58.555%0.5531%0.311SS..SBendtrans-99.8-40.4168.2-61.2-178.9000110.5T109L105-T109 HydrophobicContact CD1-CG2 4.24Å; L105-T109 PolarHBondContact N-O 2.78Å
106T81.9Confident90.5Very high77 Ų7755.2 Ų55.247%0.47229%0.288SS..SBendtrans-142.9179.4174.267.40000108.6T108 T109T106-T108 PolarHBondContact O-N 2.88Å; T106-T108 VanDerWaalsContact O-N 3.14Å; T106-T108 PolarHBondContact OG1-N 2.73Å; T106-T109 PolarHBondContact N-O 3.43Å; T106-T109 VanDerWaalsContact N-O 3.1Å; T106-T109 PolarHBondContact O-N 2.96Å; T106-T109 VanDerWaalsContact OG1-CB 3.31Å; T106-T109 WeakPolarHBondContact OG1-CB 3.29Å; T106-T109 PolarHBondContact OG1-N 2.95Å; T106-T109 VanDerWaalsContact OG1-N 3.08Å; T106-T109 PolarHBondContact OG1-OG1 3.26Å
107Q75.5Confident90.7Very high201 Ų20158.8 Ų58.894%0.93930%0.303SS*.SBendtrans-59.8-23.1175.8-67.9-176.6-6.900113.8
108T81.6Confident90.8Very high131 Ų13158.8 Ų58.880%0.80430%0.303SS*.SBendtrans-116.9-11.1-175.259.20000113.6T106T106-T108 PolarHBondContact O-N 2.88Å; T106-T108 VanDerWaalsContact O-N 3.14Å; T106-T108 PolarHBondContact OG1-N 2.73Å
109T86.2Confident90.8Very high72 Ų7261.5 Ų61.544%0.44232%0.315SS..  trans-123.8125.5-173.5-51.40000109.8L105 T106L105-T109 HydrophobicContact CD1-CG2 4.24Å; L105-T109 PolarHBondContact N-O 2.78Å; T106-T109 PolarHBondContact N-O 3.43Å; T106-T109 VanDerWaalsContact N-O 3.1Å; T106-T109 PolarHBondContact O-N 2.96Å; T106-T109 VanDerWaalsContact OG1-CB 3.31Å; T106-T109 WeakPolarHBondContact OG1-CB 3.29Å; T106-T109 PolarHBondContact OG1-N 2.95Å; T106-T109 VanDerWaalsContact OG1-N 3.08Å; T106-T109 PolarHBondContact OG1-OG1 3.26Å
110S89.1Confident90.8Very high52 Ų5263.4 Ų63.436%0.36433%0.329SS..EExtended strand (participates in β ladder)trans-122.3147.7174.569.40000110.7R103R103-S110 CarbonylContact O-C 3.5Å; R103-S110 VanDerWaalsContact O-CA 3.23Å; R103-S110 WeakPolarHBondContact O-CA 3.27Å
111Y88.8Confident90.9Very high72 Ų7263.9 Ų63.928%0.28233%0.33SS..EExtended strand (participates in β ladder)trans-102.5127.3176.8-176.3-101.8000110.6S58 K102 R103 L113S58-Y111 WeakPolarHBondContact CA-OH 3.25Å; S58-Y111 PolarHBondContact O-OH 3.05Å; K102-Y111 CarbonylContact C-O 3.56Å; K102-Y111 WeakPolarHBondContact CA-O 3.46Å; K102-Y111 WeakPolarHBondContact CB-O 3.5Å; R103-Y111 PolarHBondContact N-O 3.08Å; R103-Y111 PolarHBondContact O-N 3.43Å; Y111-L113 HydrophobicContact CD1-CD2 3.83Å; Y111-L113 HydrophobicContact CD1-CG 4.2Å; Y111-L113 HydrophobicContact CE1-CD2 3.84Å; Y111-L113 PolarHBondContact O-N 3.26Å
112H93.7Very high90.8Very high82 Ų8268.8 Ų68.838%0.3836%0.361SS..EExtended strand (participates in β ladder)trans-74.8125.3178.1-179.863.3000110.7G114 T115H112-G114 PolarHBondContact CE1-O 3.16Å; H112-T115 PolarHBondContact CE1-OG1 2.73Å; H112-T115 PolarHBondContact NE2-OG1 2.72Å
113L93.4Very high90.9Very high4 Ų467.8 Ų67.82%0.02137%0.373CS..EExtended strand (participates in β ladder)trans-102.9-42.4179.3-75.6173.9000112.3L60 Y65 Q68 Y84 W101 R103 Y111L60-L113 HydrophobicContact CD1-CD2 3.86Å; Y65-L113 WeakPolarHBondContact CE2-O 3.3Å; Y65-L113 PolarHBondContact OH-O 3.21Å; Q68-L113 HydrophobicContact CB-CD1 4.21Å; Q68-L113 HydrophobicContact CB-CD2 4.28Å; Y84-L113 HydrophobicContact CD1-CD1 4.09Å; Y84-L113 HydrophobicContact CE1-CD1 3.63Å; W101-L113 VanDerWaalsContact CD1-CB 3.47Å; W101-L113 HydrophobicContact CG-CB 4.47Å; W101-L113 VanDerWaalsContact NE1-CB 3.32Å; W101-L113 PolarHBondContact O-N 3.14Å; R103-L113 HydrophobicContact CB-CD1 3.82Å; R103-L113 HydrophobicContact CB-CG 4.31Å; Y111-L113 HydrophobicContact CD1-CD2 3.83Å; Y111-L113 HydrophobicContact CD1-CG 4.2Å; Y111-L113 HydrophobicContact CE1-CD2 3.84Å; Y111-L113 PolarHBondContact O-N 3.26Å
114G94.6Very high91.1Very high2 Ų269.4 Ų69.42%0.02139%0.394CS..EExtended strand (participates in β ladder)trans-169.6158-176.900000114.7T100 W101 H112T100-G114 WeakPolarHBondContact CA-O 3.41Å; W101-G114 PolarHBondContact N-O 3Å; W101-G114 PolarHBondContact O-N 3.38Å; H112-G114 PolarHBondContact CE1-O 3.16Å
115T95.7Very high91.5Very high53 Ų5375.3 Ų75.333%0.32542%0.416SS..EExtended strand (participates in β ladder)trans-136131.9172.4-63.50000108.5K98 F99 T100 H112K98-T115 HydrophobicContact CD-CG2 4.17Å; K98-T115 HydrophobicContact CG-CG2 3.74Å; F99-T115 CarbonylContact O-C 3.57Å; F99-T115 VanDerWaalsContact O-CA 3.32Å; F99-T115 WeakPolarHBondContact O-CA 3.39Å; T100-T115 WeakPolarHBondContact OG1-CG2 3.38Å; T100-T115 PolarHBondContact OG1-OG1 2.84Å; H112-T115 PolarHBondContact CE1-OG1 2.73Å; H112-T115 PolarHBondContact NE2-OG1 2.72Å
116I96Very high92Very high11 Ų1172.7 Ų72.76%0.05640%0.401CS..EExtended strand (participates in β ladder)trans-133.4151.1175.867.2-171.9000110.7I33 T44 L46 M54 F99 W101 L118I33-I116 HydrophobicContact CD1-CD1 3.69Å; T44-I116 HydrophobicContact CG2-CD1 3.69Å; T44-I116 HydrophobicContact CG2-CG1 4.34Å; L46-I116 HydrophobicContact CD1-CG2 4.06Å; L46-I116 HydrophobicContact CD2-CG2 4.17Å; M54-I116 HydrophobicContact CE-CG2 3.83Å; M54-I116 HydrophobicContact SD-CG2 4.15Å; F99-I116 HydrophobicContact CB-CG1 4.06Å; F99-I116 HydrophobicContact CD1-CD1 3.83Å; F99-I116 HydrophobicContact CD1-CG1 3.97Å; F99-I116 PolarHBondContact N-O 3.46Å; F99-I116 PolarHBondContact O-N 3.42Å; W101-I116 HydrophobicContact CH2-CD1 4.31Å; W101-I116 HydrophobicContact CH2-CG2 3.8Å; W101-I116 HydrophobicContact CZ3-CD1 3.95Å; W101-I116 HydrophobicContact CZ3-CG1 4.01Å; W101-I116 HydrophobicContact CZ3-CG2 3.99Å; I116-L118 HydrophobicContact CD1-CD1 4.39Å; I116-L118 HydrophobicContact CG1-CD1 3.96Å; I116-L118 HydrophobicContact CG1-CG 4.41Å
117Q96Very high92.6Very high89 Ų8973.7 Ų73.742%0.41641%0.407SS..EExtended strand (participates in β ladder)trans-97.3125.1170.8-160.166.830.400109.5S96 V97S96-Q117 PolarHBondContact OG-NE2 3.14Å; V97-Q117 PolarHBondContact O-NE2 2.77Å
118L97.1Very high93.6Very high0 Ų070.4 Ų70.40%039%0.389CS..EExtended strand (participates in β ladder)trans-104.7142173.5-57.2100000110.4I33 L35 F42 T44 S96 V97 F99 I116I33-L118 HydrophobicContact CG2-CD2 4.31Å; L35-L118 HydrophobicContact CB-CD2 3.79Å; L35-L118 HydrophobicContact CD2-CD1 4.41Å; F42-L118 HydrophobicContact CB-CB 3.57Å; F42-L118 HydrophobicContact CB-CD2 4.31Å; F42-L118 WeakPolarHBondContact O-CD2 3.25Å; T44-L118 HydrophobicContact CG2-CD2 4.09Å; T44-L118 HydrophobicContact CG2-CG 3.99Å; S96-L118 CarbonylContact C-O 3.59Å; S96-L118 VanDerWaalsContact CA-O 3.24Å; S96-L118 WeakPolarHBondContact CA-O 3.2Å; S96-L118 VanDerWaalsContact CB-O 3.26Å; S96-L118 WeakPolarHBondContact CB-O 3.28Å; V97-L118 HydrophobicContact CG1-CD1 4.41Å; V97-L118 PolarHBondContact N-O 2.92Å; V97-L118 PolarHBondContact O-N 3.1Å; F99-L118 HydrophobicContact CB-CD1 3.27Å; F99-L118 HydrophobicContact CD1-CD1 4.42Å; F99-L118 HydrophobicContact CG-CD1 4.2Å; I116-L118 HydrophobicContact CD1-CD1 4.39Å; I116-L118 HydrophobicContact CG1-CD1 3.96Å; I116-L118 HydrophobicContact CG1-CG 4.41Å
119K96.3Very high94.3Very high158 Ų15864.4 Ų64.469%0.68735%0.353SS*.EExtended strand (participates in β ladder)trans-98.8138.8178.6-62.3-178.8-178.3178.30110.1F42 T43 L121F42-K119 CarbonylContact C-O 3.55Å; F42-K119 VanDerWaalsContact CA-O 3.26Å; F42-K119 WeakPolarHBondContact CA-O 3.32Å; T43-K119 PolarHBondContact N-O 3.47Å; T43-K119 PolarHBondContact O-N 2.85Å; K119-L121 PolarHBondContact O-N 3.32Å
120S95.9Very high94.8Very high41 Ų4162.5 Ų62.529%0.28734%0.344SS..EExtended strand (participates in β ladder)trans-60.6133.3175.8-176.10000111.8C95C95-S120 WeakPolarHBondContact O-CB 3.48Å; C95-S120 PolarHBondContact O-N 3.5Å
121L95.6Very high95.1Very high22 Ų2262.5 Ų62.512%0.11535%0.348CS..PPolyproline II helixtrans-86.6130.5169.4-72.1177.3000109.6I34 H41 T43 K119 K125 H126 A129I34-L121 HydrophobicContact CD1-CD1 4.45Å; H41-L121 HydrophobicContact CB-CB 4.26Å; H41-L121 HydrophobicContact CB-CD1 3.97Å; H41-L121 WeakPolarHBondContact O-CB 3.48Å; H41-L121 PolarHBondContact O-N 3.34Å; T43-L121 HydrophobicContact CG2-CD1 4.34Å; T43-L121 HydrophobicContact CG2-CD2 3.43Å; T43-L121 VanDerWaalsContact CG2-CD2 3.43Å; T43-L121 HydrophobicContact CG2-CG 3.78Å; K119-L121 PolarHBondContact O-N 3.32Å; L121-K125 HydrophobicContact CD2-CB 4.04Å; L121-K125 HydrophobicContact CD2-CD 4.49Å; L121-H126 HydrophobicContact CB-CB 4.41Å; L121-H126 PolarHBondContact O-ND1 3.42Å; L121-A129 HydrophobicContact CD1-CB 3.66Å
122T93.5Very high95.4Very high104 Ų10462.6 Ų62.664%0.63835%0.353SS*.  trans-128.1163.8179.362.70000111.8K125 H126T122-K125 PolarHBondContact O-N 2.9Å; T122-H126 PolarHBondContact O-N 2.92Å
123G94Very high95.5Very high57 Ų5759.2 Ų59.259%0.58834%0.338SS*.Hα-helixtrans59-136.6174.500000113.9K125 H126 V127G123-K125 VanDerWaalsContact C-N 3.25Å; G123-K125 PolarHBondContact O-N 3.11Å; G123-H126 WeakPolarHBondContact O-CB 3.23Å; G123-H126 PolarHBondContact O-N 3.44Å; G123-V127 PolarHBondContact O-N 3.39Å
124S95.5Very high95.6Very high103 Ų10365.1 Ų65.172%0.7237%0.368SS*.Hα-helixtrans-62.3-30.1-178.259.10000113.5H126 K128S124-H126 VanDerWaalsContact C-N 3.33Å; S124-K128 VanDerWaalsContact O-CB 3.31Å; S124-K128 WeakPolarHBondContact O-CB 3.47Å; S124-K128 PolarHBondContact O-N 3.18Å
125K95.9Very high95.7Very high146 Ų14667.9 Ų67.964%0.63539%0.387SS*.Hα-helixtrans-68.5-34.8177.8-62.7-176.6179.91780112L121 T122 G123 A129L121-K125 HydrophobicContact CD2-CB 4.04Å; L121-K125 HydrophobicContact CD2-CD 4.49Å; T122-K125 PolarHBondContact O-N 2.9Å; G123-K125 VanDerWaalsContact C-N 3.25Å; G123-K125 PolarHBondContact O-N 3.11Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 2.81Å
126H95.3Very high95.6Very high49 Ų4967.4 Ų67.423%0.22738%0.381CS..Hα-helixtrans-62.7-52.1175.6-179.883000111I39 H41 L121 T122 G123 S124 K128 A129 A130I39-H126 PolarHBondContact O-CE1 3.49Å; I39-H126 PolarHBondContact O-NE2 3.01Å; H41-H126 AromaticContact CD2-CE1 3.18Å; H41-H126 PolarHBondContact CD2-CE1 2.85Å; H41-H126 AromaticContact CD2-ND1 3.39Å; H41-H126 PolarHBondContact CD2-ND1 3.31Å; H41-H126 AromaticContact CD2-NE2 3.74Å; H41-H126 PolarHBondContact CD2-O 2.97Å; H41-H126 AromaticContact CG-CE1 3.77Å; H41-H126 AromaticContact CG-ND1 3.94Å; H41-H126 AromaticContact NE2-CE1 3.55Å; H41-H126 AromaticContact NE2-NE2 3.78Å; L121-H126 HydrophobicContact CB-CB 4.41Å; L121-H126 PolarHBondContact O-ND1 3.42Å; T122-H126 PolarHBondContact O-N 2.92Å; G123-H126 WeakPolarHBondContact O-CB 3.23Å; G123-H126 PolarHBondContact O-N 3.44Å; S124-H126 VanDerWaalsContact C-N 3.33Å; H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.11Å; H126-A129 PolarHBondContact O-N 2.9Å; H126-A130 PolarHBondContact O-N 2.96Å
127V96.1Very high95.6Very high98 Ų9868.6 Ų68.659%0.59439%0.39SS*.Hα-helixtrans-62.1-41.5178.5-1790000111.3G123 A130 A131G123-V127 PolarHBondContact O-N 3.39Å; V127-A130 PolarHBondContact O-N 3Å; V127-A131 PolarHBondContact O-N 3.29Å
128K96.4Very high95.6Very high133 Ų13367.8 Ų67.858%0.57839%0.394SS*.Hα-helixtrans-61.7-43.8176.9-175.6175178.4178.30112.1S124 H126 A130 A131 D132S124-K128 VanDerWaalsContact O-CB 3.31Å; S124-K128 WeakPolarHBondContact O-CB 3.47Å; S124-K128 PolarHBondContact O-N 3.18Å; H126-K128 VanDerWaalsContact C-N 3.32Å; H126-K128 PolarHBondContact O-N 3.11Å; K128-A130 VanDerWaalsContact C-N 3.32Å; K128-A130 PolarHBondContact O-N 2.71Å; K128-A131 PolarHBondContact O-N 3.23Å; K128-D132 WeakPolarHBondContact CE-OD2 3.39Å; K128-D132 WeakPolarHBondContact O-CB 3.46Å; K128-D132 PolarHBondContact O-N 2.93Å
129A95.8Very high95.6Very high5 Ų572.3 Ų72.34%0.04142%0.418CS..Hα-helixtrans-60.1-42.4177.800000112.2I34 L121 K125 H126 D132 M133I34-A129 HydrophobicContact CD1-CB 4.01Å; L121-A129 HydrophobicContact CD1-CB 3.66Å; K125-A129 WeakPolarHBondContact O-CB 3.3Å; K125-A129 PolarHBondContact O-N 2.81Å; H126-A129 PolarHBondContact O-N 2.9Å; A129-D132 PolarHBondContact O-N 2.83Å; A129-M133 WeakPolarHBondContact O-CB 3.37Å; A129-M133 WeakPolarHBondContact O-CE 3.39Å; A129-M133 VanDerWaalsContact O-CG 3.3Å; A129-M133 WeakPolarHBondContact O-CG 3.47Å; A129-M133 PolarHBondContact O-N 3.46Å
130A95.8Very high95.5Very high31 Ų3168.8 Ų68.826%0.25640%0.404SS..Hα-helixtrans-61.3-46.3174.700000112H126 V127 K128 M133 L134H126-A130 PolarHBondContact O-N 2.96Å; V127-A130 PolarHBondContact O-N 3Å; K128-A130 VanDerWaalsContact C-N 3.32Å; K128-A130 PolarHBondContact O-N 2.71Å; A130-M133 PolarHBondContact O-N 3.23Å; A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.84Å
131A96.3Very high95.6Very high53 Ų5371.5 Ų71.544%0.43841%0.414SS..Hα-helixtrans-62.6-43.6177.600000112.3V127 K128 L134 S135V127-A131 PolarHBondContact O-N 3.29Å; K128-A131 PolarHBondContact O-N 3.23Å; A131-L134 PolarHBondContact O-N 2.89Å; A131-S135 WeakPolarHBondContact O-CB 3.22Å; A131-S135 PolarHBondContact O-N 2.81Å
132D94.9Very high95.7Very high74 Ų7473.1 Ų73.140%0.39643%0.431SS..Hα-helixtrans-63.6-43.4178.7-68.7-12.4000110.7K128 A129 S135 F136K128-D132 WeakPolarHBondContact CE-OD2 3.39Å; K128-D132 WeakPolarHBondContact O-CB 3.46Å; K128-D132 PolarHBondContact O-N 2.93Å; A129-D132 PolarHBondContact O-N 2.83Å; D132-S135 PolarHBondContact O-N 2.77Å; D132-F136 WeakPolarHBondContact O-CB 3.43Å; D132-F136 PolarHBondContact O-N 3.5Å
133M95.2Very high95.8Very high11 Ų1170.2 Ų70.25%0.05442%0.415CS..Hα-helixtrans-62.3-44.4175.4-73.5-176-69.800112.2F4 F18 I34 A129 A130 C137F4-M133 HydrophobicContact CD2-CG 4.45Å; F4-M133 HydrophobicContact CE2-CB 4.23Å; F4-M133 HydrophobicContact CE2-CG 4.19Å; F4-M133 HydrophobicContact CE2-SD 3.88Å; F18-M133 HydrophobicContact CB-CG 3.79Å; F18-M133 HydrophobicContact CB-SD 3.88Å; F18-M133 HydrophobicContact CD1-CG 3.8Å; F18-M133 HydrophobicContact CD2-CG 4.41Å; F18-M133 HydrophobicContact CE1-CG 4.48Å; F18-M133 HydrophobicContact CG-CG 3.75Å; F18-M133 HydrophobicContact CG-SD 4.5Å; I34-M133 HydrophobicContact CG2-CE 4.41Å; I34-M133 HydrophobicContact CG2-SD 4.21Å; A129-M133 WeakPolarHBondContact O-CB 3.37Å; A129-M133 WeakPolarHBondContact O-CE 3.39Å; A129-M133 VanDerWaalsContact O-CG 3.3Å; A129-M133 WeakPolarHBondContact O-CG 3.47Å; A129-M133 PolarHBondContact O-N 3.46Å; A130-M133 PolarHBondContact O-N 3.23Å; M133-C137 PolarHBondContact O-N 2.76Å; M133-C137 PolarHBondContact O-SG 2.96Å
134L95.4Very high96Very high127 Ų12772.5 Ų72.567%0.66541%0.413SS*.Hα-helixtrans-67.5-41.9178.2-72.8172.9000112.2A130 A131 C137 S138A130-L134 WeakPolarHBondContact O-CB 3.36Å; A130-L134 WeakPolarHBondContact O-CG 3.33Å; A130-L134 PolarHBondContact O-N 2.84Å; A131-L134 PolarHBondContact O-N 2.89Å; L134-C137 PolarHBondContact O-N 2.68Å; L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.5Å
135S96.4Very high96.1Very high60 Ų6073.8 Ų73.842%0.4241%0.406SS..Hα-helixtrans-60.2-48.1175.6-167.50000110.3A131 D132 C137 S138 D139A131-S135 WeakPolarHBondContact O-CB 3.22Å; A131-S135 PolarHBondContact O-N 2.81Å; D132-S135 PolarHBondContact O-N 2.77Å; S135-C137 VanDerWaalsContact C-N 3.35Å; S135-C137 PolarHBondContact O-N 3.38Å; S135-S138 WeakPolarHBondContact O-CB 3.17Å; S135-S138 PolarHBondContact O-N 3.46Å; S135-S138 VanDerWaalsContact O-N 3.14Å; S135-D139 WeakPolarHBondContact O-CB 2.97Å; S135-D139 VanDerWaalsContact O-CG 3.22Å; S135-D139 PolarHBondContact O-N 2.94Å
136F95.1Very high96.2Very high43 Ų4374.4 Ų74.419%0.18941%0.409CS..Hα-helixtrans-55.5-48.8176.2176.2-94000111.8G2 F4 F18 D132 S138 D139 E140G2-F136 VanDerWaalsContact C-CZ 3.49Å; G2-F136 WeakPolarHBondContact O-CZ 3.05Å; F4-F136 HydrophobicContact CB-CD1 3.93Å; F4-F136 HydrophobicContact CB-CE1 3.77Å; F18-F136 HydrophobicContact CD2-CD1 4.32Å; F18-F136 HydrophobicContact CE2-CB 3.91Å; F18-F136 AromaticContact CE2-CD1 3.73Å; F18-F136 HydrophobicContact CE2-CD1 3.73Å; F18-F136 AromaticContact CE2-CD2 3.93Å; F18-F136 HydrophobicContact CE2-CD2 3.93Å; F18-F136 HydrophobicContact CE2-CE1 4.24Å; F18-F136 HydrophobicContact CE2-CE2 4.42Å; F18-F136 AromaticContact CE2-CG 3.55Å; F18-F136 HydrophobicContact CE2-CG 3.55Å; F18-F136 HydrophobicContact CZ-CB 4.14Å; F18-F136 HydrophobicContact CZ-CD2 4.34Å; F18-F136 HydrophobicContact CZ-CG 4.14Å; D132-F136 WeakPolarHBondContact O-CB 3.43Å; D132-F136 PolarHBondContact O-N 3.5Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.33Å; F136-D139 PolarHBondContact O-N 3.35Å; F136-E140 HydrophobicContact CD1-CG 4.28Å; F136-E140 HydrophobicContact CD2-CG 4.46Å; F136-E140 HydrophobicContact CE1-CG 3.79Å; F136-E140 HydrophobicContact CE2-CG 3.99Å; F136-E140 HydrophobicContact CZ-CG 3.63Å; F136-E140 WeakPolarHBondContact O-CB 3.4Å; F136-E140 WeakPolarHBondContact O-CG 3.48Å; F136-E140 PolarHBondContact O-N 2.86Å
137C94.4Very high96.3Very high36 Ų3677.7 Ų77.724%0.24342%0.422CS..Hα-helixtrans-62-41178.2-65.70000112.1M133 L134 S135 I141M133-C137 PolarHBondContact O-N 2.76Å; M133-C137 PolarHBondContact O-SG 2.96Å; L134-C137 PolarHBondContact O-N 2.68Å; S135-C137 VanDerWaalsContact C-N 3.35Å; S135-C137 PolarHBondContact O-N 3.38Å; C137-I141 WeakPolarHBondContact O-CB 3.5Å; C137-I141 WeakPolarHBondContact O-CD1 3.4Å; C137-I141 WeakPolarHBondContact O-CG1 3.35Å; C137-I141 PolarHBondContact O-N 3.42Å
138S97.2Very high96.4Very high72 Ų7277.5 Ų77.550%0.50342%0.418SS..Hα-helixtrans-63.1-45.4177.7-176.50000111.8L134 S135 F136 I141 A142L134-S138 WeakPolarHBondContact O-CB 3.35Å; L134-S138 PolarHBondContact O-N 3.5Å; S135-S138 WeakPolarHBondContact O-CB 3.17Å; S135-S138 PolarHBondContact O-N 3.46Å; S135-S138 VanDerWaalsContact O-N 3.14Å; F136-S138 VanDerWaalsContact C-N 3.33Å; F136-S138 PolarHBondContact O-N 3.33Å; S138-I141 PolarHBondContact O-N 3.19Å; S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 2.97Å
139D97Very high96.5Very high96 Ų9675.2 Ų75.251%0.51341%0.412SS..Hα-helixtrans-65.9-42.1179.6-66.5-26.7000111.4S135 F136 A142 S143S135-D139 WeakPolarHBondContact O-CB 2.97Å; S135-D139 VanDerWaalsContact O-CG 3.22Å; S135-D139 PolarHBondContact O-N 2.94Å; F136-D139 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 3.14Å; D139-S143 VanDerWaalsContact O-CB 3.3Å; D139-S143 WeakPolarHBondContact O-CB 3.11Å; D139-S143 PolarHBondContact O-N 2.72Å
140E94.5Very high96.6Very high84 Ų8478 Ų7839%0.39343%0.43SS..Hα-helixtrans-63.3-43.4174.8-75.9-59.712500111.8F136 A142 S143 L144F136-E140 HydrophobicContact CD1-CG 4.28Å; F136-E140 HydrophobicContact CD2-CG 4.46Å; F136-E140 HydrophobicContact CE1-CG 3.79Å; F136-E140 HydrophobicContact CE2-CG 3.99Å; F136-E140 HydrophobicContact CZ-CG 3.63Å; F136-E140 WeakPolarHBondContact O-CB 3.4Å; F136-E140 WeakPolarHBondContact O-CG 3.48Å; F136-E140 PolarHBondContact O-N 2.86Å; E140-A142 PolarHBondContact O-N 3.32Å; E140-S143 PolarHBondContact O-N 2.81Å; E140-L144 WeakPolarHBondContact O-CB 3.12Å; E140-L144 VanDerWaalsContact O-CG 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 3.26Å
141I96.6Very high96.7Very high97 Ų9780.8 Ų80.850%0.49744%0.444SS..Hα-helixtrans-61-44.6175.2-71.2165.3000110.8C137 S138 L144 K145C137-I141 WeakPolarHBondContact O-CB 3.5Å; C137-I141 WeakPolarHBondContact O-CD1 3.4Å; C137-I141 WeakPolarHBondContact O-CG1 3.35Å; C137-I141 PolarHBondContact O-N 3.42Å; S138-I141 PolarHBondContact O-N 3.19Å; I141-L144 PolarHBondContact O-N 3.43Å; I141-K145 HydrophobicContact CG2-CD 4.27Å; I141-K145 WeakPolarHBondContact O-CB 3.35Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 2.86Å
142A98Very high96.8Very high56 Ų5683 Ų8346%0.46345%0.446SS..Hα-helixtrans-63.7-42178.100000112S138 D139 E140 K145 K146S138-A142 WeakPolarHBondContact O-CB 3.3Å; S138-A142 PolarHBondContact O-N 2.97Å; D139-A142 PolarHBondContact O-N 3.14Å; E140-A142 PolarHBondContact O-N 3.32Å; A142-K145 PolarHBondContact O-N 2.93Å; A142-K146 PolarHBondContact O-N 2.87Å
143S96.8Very high97Very high44 Ų4485.8 Ų85.831%0.30846%0.456SS..Hα-helixtrans-61.8-46.1175.4-179.20000111.9D139 E140 K146 K147D139-S143 VanDerWaalsContact O-CB 3.3Å; D139-S143 WeakPolarHBondContact O-CB 3.11Å; D139-S143 PolarHBondContact O-N 2.72Å; E140-S143 PolarHBondContact O-N 2.81Å; S143-K146 PolarHBondContact O-N 2.92Å; S143-K147 WeakPolarHBondContact O-CG 3.46Å; S143-K147 PolarHBondContact O-N 2.83Å
144L96.6Very high97.1Very high104 Ų10487.5 Ų87.555%0.54547%0.472SS..Hα-helixtrans-64.6-41.4177.2-72.5172.4000112.1E140 I141 K147 L148E140-L144 WeakPolarHBondContact O-CB 3.12Å; E140-L144 VanDerWaalsContact O-CG 3.28Å; E140-L144 WeakPolarHBondContact O-CG 3.4Å; E140-L144 PolarHBondContact O-N 3.26Å; I141-L144 PolarHBondContact O-N 3.43Å; L144-K147 PolarHBondContact O-N 3.01Å; L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 PolarHBondContact O-N 3.47Å
145K98.2Very high97.2Very high130 Ų13088.7 Ų88.757%0.56547%0.469SS*.Hα-helixtrans-59.5-48.5173.7-77.9-178.8175.1-173.10111.9I141 A142 K147 L148 D149I141-K145 HydrophobicContact CG2-CD 4.27Å; I141-K145 WeakPolarHBondContact O-CB 3.35Å; I141-K145 WeakPolarHBondContact O-CG 3.5Å; I141-K145 PolarHBondContact O-N 2.86Å; A142-K145 PolarHBondContact O-N 2.93Å; K145-K147 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 3.42Å; K145-L148 WeakPolarHBondContact O-CB 3.4Å; K145-L148 PolarHBondContact O-N 2.92Å; K145-L148 VanDerWaalsContact O-N 3.11Å; K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 2.85Å
146K98.2Very high97.3Very high159 Ų15991.6 Ų91.669%0.69148%0.476SS*.Hα-helixtrans-58.6-41.6177-174.7-178.4179.3-178.70112.2A142 S143 S150A142-K146 PolarHBondContact O-N 2.87Å; S143-K146 PolarHBondContact O-N 2.92Å; K146-S150 WeakPolarHBondContact O-CB 3.37Å; K146-S150 PolarHBondContact O-N 3Å; K146-S150 PolarHBondContact O-OG 3.41Å
147K98.1Very high97.5Very high119 Ų11994.2 Ų94.252%0.51749%0.489SS..Hα-helixtrans-64.2-42.8175.8-74.8174.9-177.3174.60111.5S143 L144 K145 S150 T151S143-K147 WeakPolarHBondContact O-CG 3.46Å; S143-K147 PolarHBondContact O-N 2.83Å; L144-K147 PolarHBondContact O-N 3.01Å; K145-K147 VanDerWaalsContact C-N 3.29Å; K145-K147 PolarHBondContact O-N 3.42Å; K147-S150 WeakPolarHBondContact CA-OG 3.47Å; K147-S150 PolarHBondContact O-N 3.41Å; K147-S150 PolarHBondContact O-OG 3.18Å; K147-T151 WeakPolarHBondContact O-CB 3.35Å; K147-T151 PolarHBondContact O-N 3.02Å; K147-T151 PolarHBondContact O-OG1 2.84Å
148L98.2Very high97.6Very high94 Ų9498.9 Ų98.949%0.49251%0.509SS..Hα-helixtrans-58.3-54.7175.6-179.864.6000110.5L144 K145 S150 T151 E152L144-L148 WeakPolarHBondContact O-CB 3.46Å; L144-L148 PolarHBondContact O-N 3.47Å; K145-L148 WeakPolarHBondContact O-CB 3.4Å; K145-L148 PolarHBondContact O-N 2.92Å; K145-L148 VanDerWaalsContact O-N 3.11Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.32Å; L148-T151 WeakPolarHBondContact O-CA 3.47Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 3.4Å; L148-E152 HydrophobicContact CD1-CG 4.29Å; L148-E152 HydrophobicContact CG-CG 4.49Å; L148-E152 WeakPolarHBondContact O-CG 3.47Å; L148-E152 PolarHBondContact O-N 3.09Å
149D98.1Very high97.7Very high85 Ų8597.1 Ų97.146%0.45550%0.495SS..Hα-helixtrans-55.5-44.4179.7-60.3-17.8000111.5K145 T151 E152 Q153K145-D149 VanDerWaalsContact O-CG 3.26Å; K145-D149 PolarHBondContact O-N 2.85Å; D149-T151 VanDerWaalsContact C-N 3.31Å; D149-T151 PolarHBondContact O-N 2.95Å; D149-E152 PolarHBondContact O-N 3.24Å; D149-Q153 WeakPolarHBondContact O-CG 3.44Å; D149-Q153 PolarHBondContact O-N 3.41Å
150S97.9Very high97.7Very high62 Ų6298.6 Ų98.643%0.43450%0.498SS..Hα-helixtrans-66.4-32.6177.767.10000113.4K146 K147 L148 A154K146-S150 WeakPolarHBondContact O-CB 3.37Å; K146-S150 PolarHBondContact O-N 3Å; K146-S150 PolarHBondContact O-OG 3.41Å; K147-S150 WeakPolarHBondContact CA-OG 3.47Å; K147-S150 PolarHBondContact O-N 3.41Å; K147-S150 PolarHBondContact O-OG 3.18Å; L148-S150 VanDerWaalsContact C-N 3.29Å; L148-S150 PolarHBondContact O-N 3.32Å; S150-A154 WeakPolarHBondContact O-CB 3.3Å; S150-A154 PolarHBondContact O-N 3.39Å; S150-A154 VanDerWaalsContact O-N 3.11Å
151T98.1Very high97.9Very high90 Ų9099.2 Ų99.255%0.55250%0.504SS*.Hα-helixtrans-74.4-39.2178.3-56.20000110.4K147 L148 D149 A154 Y155K147-T151 WeakPolarHBondContact O-CB 3.35Å; K147-T151 PolarHBondContact O-N 3.02Å; K147-T151 PolarHBondContact O-OG1 2.84Å; L148-T151 WeakPolarHBondContact O-CA 3.47Å; L148-T151 WeakPolarHBondContact O-CB 3.41Å; L148-T151 PolarHBondContact O-N 3.4Å; D149-T151 VanDerWaalsContact C-N 3.31Å; D149-T151 PolarHBondContact O-N 2.95Å; T151-A154 PolarHBondContact O-N 3.07Å; T151-Y155 WeakPolarHBondContact O-CB 3.27Å; T151-Y155 PolarHBondContact O-N 2.91Å
152E98.1Very high98Very high101 Ų101101 Ų10147%0.47251%0.505SS..Hα-helixtrans-63.8-45.3174.8-71.1179.1164.100111.3L148 D149 A154 Y155 E156L148-E152 HydrophobicContact CD1-CG 4.29Å; L148-E152 HydrophobicContact CG-CG 4.49Å; L148-E152 WeakPolarHBondContact O-CG 3.47Å; L148-E152 PolarHBondContact O-N 3.09Å; D149-E152 PolarHBondContact O-N 3.24Å; E152-A154 PolarHBondContact O-N 3.33Å; E152-Y155 WeakPolarHBondContact O-CB 3.4Å; E152-Y155 PolarHBondContact O-N 3.11Å; E152-Y155 VanDerWaalsContact O-N 3.14Å; E152-E156 WeakPolarHBondContact O-CG 3.49Å; E152-E156 PolarHBondContact O-N 2.57Å
153Q98Very high98Very high131 Ų131101.5 Ų101.561%0.61250%0.5SS*.Hα-helixtrans-60.1-43.1174.2-72.8174.23.400112.6D149 Y155 E156 Q157D149-Q153 WeakPolarHBondContact O-CG 3.44Å; D149-Q153 PolarHBondContact O-N 3.41Å; Q153-Y155 VanDerWaalsContact C-N 3.3Å; Q153-Y155 PolarHBondContact O-N 3.23Å; Q153-E156 PolarHBondContact O-N 3.44Å; Q153-Q157 PolarHBondContact O-N 2.95Å
154A98.2Very high98.1Very high47 Ų47100.8 Ų100.839%0.38850%0.5SS..Hα-helixtrans-64.1-37.1176.100000111.8S150 T151 E152 M158S150-A154 WeakPolarHBondContact O-CB 3.3Å; S150-A154 PolarHBondContact O-N 3.39Å; S150-A154 VanDerWaalsContact O-N 3.11Å; T151-A154 PolarHBondContact O-N 3.07Å; E152-A154 PolarHBondContact O-N 3.33Å; A154-M158 WeakPolarHBondContact O-CB 3.47Å; A154-M158 VanDerWaalsContact O-CG 3.29Å; A154-M158 WeakPolarHBondContact O-CG 3.35Å; A154-M158 PolarHBondContact O-N 3.03Å
155Y98Very high98.2Very high153 Ų15398.6 Ų98.660%0.650%0.497SS*.Hα-helixtrans-64.6-46.9175172.5-97.7000111.9T151 E152 Q153 Q157 M158 V159T151-Y155 WeakPolarHBondContact O-CB 3.27Å; T151-Y155 PolarHBondContact O-N 2.91Å; E152-Y155 WeakPolarHBondContact O-CB 3.4Å; E152-Y155 PolarHBondContact O-N 3.11Å; E152-Y155 VanDerWaalsContact O-N 3.14Å; Q153-Y155 VanDerWaalsContact C-N 3.3Å; Q153-Y155 PolarHBondContact O-N 3.23Å; Y155-Q157 PolarHBondContact O-N 2.57Å; Y155-M158 PolarHBondContact O-N 2.91Å; Y155-V159 HydrophobicContact CD1-CG2 4.41Å; Y155-V159 HydrophobicContact CE1-CG2 3.94Å; Y155-V159 HydrophobicContact CE2-CG2 4.15Å; Y155-V159 WeakPolarHBondContact O-CG2 3.34Å; Y155-V159 PolarHBondContact O-N 3.11Å
156E98.1Very high98.2Very high121 Ų12195.7 Ų95.757%0.56549%0.486SS*.Hα-helixtrans-58.1-47.3176.4-72.1175.7168.200111.3E152 Q153 M158 V159 E160E152-E156 WeakPolarHBondContact O-CG 3.49Å; E152-E156 PolarHBondContact O-N 2.57Å; Q153-E156 PolarHBondContact O-N 3.44Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 2.83Å; E156-V159 WeakPolarHBondContact O-CB 3.23Å; E156-V159 PolarHBondContact O-N 3.48Å; E156-V159 VanDerWaalsContact O-N 3.1Å; E156-E160 PolarHBondContact O-N 2.97Å
157Q98.2Very high98.2Very high98 Ų9891.9 Ų91.946%0.45847%0.474SS..Hα-helixtrans-59.6-43175.6-17363.259.600112.1Q153 Y155 V159 E160 D161Q153-Q157 PolarHBondContact O-N 2.95Å; Y155-Q157 PolarHBondContact O-N 2.57Å; Q157-V159 VanDerWaalsContact C-N 3.27Å; Q157-V159 PolarHBondContact O-N 3.33Å; Q157-E160 PolarHBondContact O-N 3Å; Q157-D161 PolarHBondContact NE2-OD1 3.08Å; Q157-D161 WeakPolarHBondContact O-CB 3.26Å; Q157-D161 VanDerWaalsContact O-CG 3.23Å; Q157-D161 PolarHBondContact O-N 3.28Å
158M98.3Very high98.2Very high133 Ų13391.2 Ų91.266%0.65548%0.476SS*.Hα-helixtrans-62.7-34.1176.7-77.1-176.2-175.100112.5A154 Y155 E156 R162A154-M158 WeakPolarHBondContact O-CB 3.47Å; A154-M158 VanDerWaalsContact O-CG 3.29Å; A154-M158 WeakPolarHBondContact O-CG 3.35Å; A154-M158 PolarHBondContact O-N 3.03Å; Y155-M158 PolarHBondContact O-N 2.91Å; E156-M158 VanDerWaalsContact C-N 3.34Å; E156-M158 PolarHBondContact O-N 2.83Å; M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.32Å; M158-R162 PolarHBondContact O-N 3.19Å
159V98.2Very high98.2Very high35 Ų3593.6 Ų93.621%0.21248%0.483CS..Hα-helixtrans-67.9-45.7175.1170.50000110.5Y155 E156 Q157 R162 D163Y155-V159 HydrophobicContact CD1-CG2 4.41Å; Y155-V159 HydrophobicContact CE1-CG2 3.94Å; Y155-V159 HydrophobicContact CE2-CG2 4.15Å; Y155-V159 WeakPolarHBondContact O-CG2 3.34Å; Y155-V159 PolarHBondContact O-N 3.11Å; E156-V159 WeakPolarHBondContact O-CB 3.23Å; E156-V159 PolarHBondContact O-N 3.48Å; E156-V159 VanDerWaalsContact O-N 3.1Å; Q157-V159 VanDerWaalsContact C-N 3.27Å; Q157-V159 PolarHBondContact O-N 3.33Å; V159-R162 PolarHBondContact O-N 2.91Å; V159-D163 VanDerWaalsContact O-CG 3.31Å; V159-D163 PolarHBondContact O-N 2.89Å
160E98.1Very high98.2Very high127 Ų12796.7 Ų96.759%0.59349%0.488SS*.Hα-helixtrans-61.2-46.6176.2-69.4-176176.200112.1E156 Q157 R162 D163 G164E156-E160 PolarHBondContact O-N 2.97Å; Q157-E160 PolarHBondContact O-N 3Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.69Å; E160-D163 PolarHBondContact O-N 2.93Å; E160-G164 PolarHBondContact O-N 3.38Å
161D98.3Very high98.2Very high97 Ų9799.6 Ų99.652%0.51950%0.495SS..Hα-helixtrans-60.3-42.3177.8-72-5.9000111.3Q157 A165Q157-D161 PolarHBondContact NE2-OD1 3.08Å; Q157-D161 WeakPolarHBondContact O-CB 3.26Å; Q157-D161 VanDerWaalsContact O-CG 3.23Å; Q157-D161 PolarHBondContact O-N 3.28Å; D161-A165 WeakPolarHBondContact O-CB 3.42Å; D161-A165 PolarHBondContact O-N 2.93Å
162R98.4Very high98.2Very high135 Ų13598.1 Ų98.151%0.50949%0.492SS..Hα-helixtrans-62.5-47.8176.3-178-160.270.4-166.1-3.2111.1M158 V159 E160 G164 A165 I166M158-R162 VanDerWaalsContact O-CB 3.24Å; M158-R162 WeakPolarHBondContact O-CB 3.32Å; M158-R162 PolarHBondContact O-N 3.19Å; V159-R162 PolarHBondContact O-N 2.91Å; E160-R162 VanDerWaalsContact C-N 3.31Å; E160-R162 PolarHBondContact O-N 2.69Å; R162-G164 VanDerWaalsContact C-N 3.34Å; R162-A165 PolarHBondContact O-N 2.81Å; R162-I166 HydrophobicContact CG-CD1 4.04Å; R162-I166 WeakPolarHBondContact O-CG1 3.2Å; R162-I166 PolarHBondContact O-N 2.83Å
163D98.2Very high98.2Very high66 Ų6696.1 Ų96.135%0.35349%0.486SS..Hα-helixtrans-67.7-37.7-177.4-69.7-4.5000111V159 E160 I166 N167V159-D163 VanDerWaalsContact O-CG 3.31Å; V159-D163 PolarHBondContact O-N 2.89Å; E160-D163 PolarHBondContact O-N 2.93Å; D163-I166 PolarHBondContact O-N 3.06Å; D163-N167 PolarHBondContact O-N 2.95Å; D163-N167 PolarHBondContact O-ND2 2.87Å
164G98.5Very high98.2Very high30 Ų3096.3 Ų96.331%0.30949%0.487SS..Hα-helixtrans-60-46.1169.400000112.7E160 R162 I166 N167 N168E160-G164 PolarHBondContact O-N 3.38Å; R162-G164 VanDerWaalsContact C-N 3.34Å; G164-I166 PolarHBondContact O-N 3Å; G164-N167 PolarHBondContact O-N 2.81Å; G164-N168 VanDerWaalsContact O-CG 3.27Å; G164-N168 PolarHBondContact O-N 2.92Å; G164-N168 PolarHBondContact O-ND2 2.7Å
165A98.3Very high98.2Very high58 Ų5897 Ų9748%0.47949%0.493SS..Hα-helixtrans-62.6-39.7176.500000112.6D161 R162 F169D161-A165 WeakPolarHBondContact O-CB 3.42Å; D161-A165 PolarHBondContact O-N 2.93Å; R162-A165 PolarHBondContact O-N 2.81Å; A165-F169 VanDerWaalsContact O-CB 3.3Å; A165-F169 WeakPolarHBondContact O-CB 3.35Å; A165-F169 PolarHBondContact O-N 2.87Å
166I98.1Very high98.2Very high68 Ų6895.6 Ų95.635%0.34949%0.49SS..Hα-helixtrans-63-43.2175.4-71.2167.5000110.9R162 D163 G164 F169 R170R162-I166 HydrophobicContact CG-CD1 4.04Å; R162-I166 WeakPolarHBondContact O-CG1 3.2Å; R162-I166 PolarHBondContact O-N 2.83Å; D163-I166 PolarHBondContact O-N 3.06Å; G164-I166 PolarHBondContact O-N 3Å; I166-F169 PolarHBondContact O-N 2.86Å; I166-R170 WeakPolarHBondContact O-CG 3.35Å; I166-R170 PolarHBondContact O-N 2.89Å
167N98Very high98.2Very high80 Ų8093.8 Ų93.843%0.42848%0.483SS..Hα-helixtrans-66.5-46.8178.5-72.3-22.5000111.7D163 G164 F169 R170 E171D163-N167 PolarHBondContact O-N 2.95Å; D163-N167 PolarHBondContact O-ND2 2.87Å; G164-N167 PolarHBondContact O-N 2.81Å; N167-F169 PolarHBondContact O-N 2.78Å; N167-R170 WeakPolarHBondContact O-CB 3.34Å; N167-R170 PolarHBondContact O-N 2.84Å; N167-R170 VanDerWaalsContact O-N 3.07Å; N167-E171 PolarHBondContact O-N 3.37Å
168N98.1Very high98.1Very high105 Ų10595.3 Ų95.356%0.56149%0.488SS*.Hα-helixtrans-57.3-39.5174.5-69.7-17.6000111.7G164 A172G164-N168 VanDerWaalsContact O-CG 3.27Å; G164-N168 PolarHBondContact O-N 2.92Å; G164-N168 PolarHBondContact O-ND2 2.7Å; N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 3.25Å
169F98.1Very high98.1Very high144 Ų14491.9 Ų91.963%0.63248%0.477SS*.Hα-helixtrans-64.1-43.5176-178.8-99.1000112.1A165 I166 N167 A172 V173A165-F169 VanDerWaalsContact O-CB 3.3Å; A165-F169 WeakPolarHBondContact O-CB 3.35Å; A165-F169 PolarHBondContact O-N 2.87Å; I166-F169 PolarHBondContact O-N 2.86Å; N167-F169 PolarHBondContact O-N 2.78Å; F169-A172 PolarHBondContact O-N 2.88Å; F169-V173 HydrophobicContact CD1-CG2 4.31Å; F169-V173 HydrophobicContact CE1-CG2 3.91Å; F169-V173 HydrophobicContact CE2-CG2 4.38Å; F169-V173 HydrophobicContact CZ-CG2 3.95Å; F169-V173 WeakPolarHBondContact O-CG2 3.5Å; F169-V173 PolarHBondContact O-N 3.08Å
170R97.9Very high98Very high149 Ų14994.4 Ų94.456%0.56249%0.486SS*.Hα-helixtrans-60.5-48.3175.8-74.1173.7174.9159.8-2.1111.7I166 N167 A172 V173 E174I166-R170 WeakPolarHBondContact O-CG 3.35Å; I166-R170 PolarHBondContact O-N 2.89Å; N167-R170 WeakPolarHBondContact O-CB 3.34Å; N167-R170 PolarHBondContact O-N 2.84Å; N167-R170 VanDerWaalsContact O-N 3.07Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.39Å; R170-V173 PolarHBondContact O-N 3.14Å; R170-E174 PolarHBondContact O-N 3.49Å
171E98.1Very high98Very high124 Ų12494.2 Ų94.258%0.57949%0.486SS*.Hα-helixtrans-60.7-42178.1-69.6-179.5-177.400112N167 V173 E174 A175N167-E171 PolarHBondContact O-N 3.37Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.94Å; E171-E174 PolarHBondContact O-N 2.92Å; E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.99Å
172A98.1Very high97.9Very high59 Ų5994 Ų9449%0.48848%0.482SS..Hα-helixtrans-63.3-39176.600000112.3N168 F169 R170 K176N168-A172 WeakPolarHBondContact O-CB 3.41Å; N168-A172 PolarHBondContact O-N 3.25Å; F169-A172 PolarHBondContact O-N 2.88Å; R170-A172 VanDerWaalsContact C-N 3.33Å; R170-A172 PolarHBondContact O-N 3.39Å; A172-K176 VanDerWaalsContact O-CB 3.29Å; A172-K176 WeakPolarHBondContact O-CB 3.49Å; A172-K176 PolarHBondContact O-N 3.27Å
173V98.3Very high97.9Very high59 Ų5991.7 Ų91.736%0.35848%0.479SS..Hα-helixtrans-65.2-46.5175.3169.30000110.9F169 R170 E171 K176 I177F169-V173 HydrophobicContact CD1-CG2 4.31Å; F169-V173 HydrophobicContact CE1-CG2 3.91Å; F169-V173 HydrophobicContact CE2-CG2 4.38Å; F169-V173 HydrophobicContact CZ-CG2 3.95Å; F169-V173 WeakPolarHBondContact O-CG2 3.5Å; F169-V173 PolarHBondContact O-N 3.08Å; R170-V173 PolarHBondContact O-N 3.14Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.94Å; V173-K176 WeakPolarHBondContact O-CB 3.12Å; V173-K176 PolarHBondContact O-N 3.32Å; V173-I177 HydrophobicContact CG1-CD1 3.92Å; V173-I177 WeakPolarHBondContact O-CG1 3.44Å; V173-I177 PolarHBondContact O-N 2.86Å
174E97.9Very high97.8Very high135 Ų13595 Ų9563%0.63149%0.494SS*.Hα-helixtrans-61.9-44.5177.5-72178.6-175.400112R170 E171 K176 I177 K178R170-E174 PolarHBondContact O-N 3.49Å; E171-E174 PolarHBondContact O-N 2.92Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 3.1Å; E174-I177 PolarHBondContact O-N 3.18Å; E174-K178 PolarHBondContact O-N 3.16Å
175A98Very high97.7Very high61 Ų6199.5 Ų99.550%0.50451%0.507SS..Hα-helixtrans-61.7-39.4175.800000112E171 S179E171-A175 WeakPolarHBondContact O-CB 3.35Å; E171-A175 PolarHBondContact O-N 2.99Å; A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.25Å
176K98.1Very high97.6Very high123 Ų123103 Ų10354%0.53551%0.511SS..Hα-helixtrans-62.9-47.8175.1-180176.7-179.3-72.60111.4A172 V173 E174 K178 S179 E180A172-K176 VanDerWaalsContact O-CB 3.29Å; A172-K176 WeakPolarHBondContact O-CB 3.49Å; A172-K176 PolarHBondContact O-N 3.27Å; V173-K176 WeakPolarHBondContact O-CB 3.12Å; V173-K176 PolarHBondContact O-N 3.32Å; E174-K176 VanDerWaalsContact C-N 3.31Å; E174-K176 PolarHBondContact O-N 3.1Å; K176-K178 PolarHBondContact O-N 2.76Å; K176-S179 WeakPolarHBondContact O-CB 3.37Å; K176-S179 PolarHBondContact O-N 3.1Å; K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 IonicContact NZ-OE1 2.66Å; K176-E180 PolarHBondContact NZ-OE1 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.33Å; K176-E180 PolarHBondContact O-N 2.97Å
177I98Very high97.4Very high83 Ų83105.7 Ų105.743%0.42652%0.52SS..Hα-helixtrans-58.3-49.8177.8-68.5166.2000110.5V173 E174 S179 E180 E181V173-I177 HydrophobicContact CG1-CD1 3.92Å; V173-I177 WeakPolarHBondContact O-CG1 3.44Å; V173-I177 PolarHBondContact O-N 2.86Å; E174-I177 PolarHBondContact O-N 3.18Å; I177-S179 VanDerWaalsContact C-N 3.3Å; I177-S179 PolarHBondContact O-N 2.98Å; I177-E180 WeakPolarHBondContact O-CB 3.47Å; I177-E180 PolarHBondContact O-N 3.12Å; I177-E180 VanDerWaalsContact O-N 3.14Å; I177-E181 WeakPolarHBondContact O-CG 3.37Å; I177-E181 PolarHBondContact O-N 2.97Å
178K97.6Very high97.3Very high131 Ų131103.9 Ų103.957%0.5752%0.517SS*.Hα-helixtrans-60.1-39.4178.5-175.2178.6-179178.40112.6E174 K176 Q182E174-K178 PolarHBondContact O-N 3.16Å; K176-K178 PolarHBondContact O-N 2.76Å; K178-Q182 VanDerWaalsContact O-CG 3.31Å; K178-Q182 WeakPolarHBondContact O-CG 3.44Å; K178-Q182 PolarHBondContact O-N 3.03Å; K178-Q182 VanDerWaalsContact O-N 3.07Å
179S97.3Very high97.1Very high60 Ų60102.7 Ų102.742%0.4251%0.511SS..Hα-helixtrans-65.1-42.4176.1-174.40000111.7A175 K176 I177 Q182 L183A175-S179 WeakPolarHBondContact O-CB 3.38Å; A175-S179 PolarHBondContact O-N 3.25Å; K176-S179 WeakPolarHBondContact O-CB 3.37Å; K176-S179 PolarHBondContact O-N 3.1Å; I177-S179 VanDerWaalsContact C-N 3.3Å; I177-S179 PolarHBondContact O-N 2.98Å; S179-Q182 PolarHBondContact O-N 3.21Å; S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CG 3.42Å; S179-L183 PolarHBondContact O-N 3.18Å
180E97.4Very high96.9Very high88 Ų88100.3 Ų100.341%0.41150%0.504SS..Hα-helixtrans-62-44.8175.4-73.8173.9-178.900111.6K176 I177 Q182 L183 M184K176-E180 WeakPolarHBondContact CE-OE1 3.47Å; K176-E180 IonicContact NZ-OE1 2.66Å; K176-E180 PolarHBondContact NZ-OE1 3.22Å; K176-E180 WeakPolarHBondContact O-CG 3.33Å; K176-E180 PolarHBondContact O-N 2.97Å; I177-E180 WeakPolarHBondContact O-CB 3.47Å; I177-E180 PolarHBondContact O-N 3.12Å; I177-E180 VanDerWaalsContact O-N 3.14Å; E180-Q182 PolarHBondContact O-N 3.34Å; E180-L183 PolarHBondContact O-N 2.99Å; E180-M184 VanDerWaalsContact O-CG 3.25Å; E180-M184 WeakPolarHBondContact O-CG 3.44Å; E180-M184 PolarHBondContact O-N 3.18Å
181E97.3Very high96.7Very high124 Ų12499 Ų9958%0.57951%0.507SS*.Hα-helixtrans-59-46.4175.5-71.2175.1165.600112.2I177 L183 M184 E185I177-E181 WeakPolarHBondContact O-CG 3.37Å; I177-E181 PolarHBondContact O-N 2.97Å; E181-L183 VanDerWaalsContact C-N 3.35Å; E181-L183 PolarHBondContact O-N 3.43Å; E181-M184 PolarHBondContact O-N 3.19Å; E181-E185 PolarHBondContact O-N 3.24Å
182Q96.9Very high96.4Very high93 Ų9397.2 Ų97.244%0.43550%0.502SS..Hα-helixtrans-63.3-38.7177-73.5179.2-1.400112.8K178 S179 E180 K186K178-Q182 VanDerWaalsContact O-CG 3.31Å; K178-Q182 WeakPolarHBondContact O-CG 3.44Å; K178-Q182 PolarHBondContact O-N 3.03Å; K178-Q182 VanDerWaalsContact O-N 3.07Å; S179-Q182 PolarHBondContact O-N 3.21Å; E180-Q182 PolarHBondContact O-N 3.34Å; Q182-K186 WeakPolarHBondContact O-CG 3.43Å; Q182-K186 PolarHBondContact O-N 3.35Å
183L96.8Very high96.1Very high86 Ų86100.6 Ų100.645%0.4551%0.508SS..Hα-helixtrans-65.4-44.9175.2-75.7169.5000110.7S179 E180 E181 E185 K186 F187S179-L183 WeakPolarHBondContact O-CB 3.41Å; S179-L183 WeakPolarHBondContact O-CG 3.42Å; S179-L183 PolarHBondContact O-N 3.18Å; E180-L183 PolarHBondContact O-N 2.99Å; E181-L183 VanDerWaalsContact C-N 3.35Å; E181-L183 PolarHBondContact O-N 3.43Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-E185 PolarHBondContact O-N 3.47Å; L183-K186 PolarHBondContact O-N 3.43Å; L183-F187 WeakPolarHBondContact O-CD2 3.26Å; L183-F187 PolarHBondContact O-N 3.22Å
184M96.6Very high95.7Very high135 Ų135103.1 Ų103.167%0.66551%0.514SS*.Hα-helixtrans-61-41.9177.2-69.6-63.9177.700112E180 E181 F187 A188E180-M184 VanDerWaalsContact O-CG 3.25Å; E180-M184 WeakPolarHBondContact O-CG 3.44Å; E180-M184 PolarHBondContact O-N 3.18Å; E181-M184 PolarHBondContact O-N 3.19Å; M184-F187 PolarHBondContact O-N 3.39Å; M184-A188 WeakPolarHBondContact O-CB 3.39Å; M184-A188 PolarHBondContact O-N 3.38Å
185E96.3Very high95.3Very high125 Ų125102.5 Ų102.558%0.58451%0.509SS*.Hα-helixtrans-62.3-45.9175-172-175.1-179.600111.8E181 L183 F187 A188 N189E181-E185 PolarHBondContact O-N 3.24Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-E185 PolarHBondContact O-N 3.47Å; E185-F187 PolarHBondContact O-N 2.98Å; E185-A188 PolarHBondContact O-N 2.81Å; E185-N189 WeakPolarHBondContact O-CB 3.47Å; E185-N189 PolarHBondContact O-N 2.85Å; E185-N189 PolarHBondContact O-ND2 3.33Å
186K96.3Very high94.9Very high130 Ų130106 Ų10657%0.56551%0.513SS*.Hα-helixtrans-60.1-44175.2-74.7174.6-176.4174.80111.8Q182 L183 N189 L190Q182-K186 WeakPolarHBondContact O-CG 3.43Å; Q182-K186 PolarHBondContact O-N 3.35Å; L183-K186 PolarHBondContact O-N 3.43Å; K186-N189 PolarHBondContact O-N 2.88Å; K186-L190 WeakPolarHBondContact O-CB 3.48Å; K186-L190 WeakPolarHBondContact O-CG 3.29Å; K186-L190 PolarHBondContact O-N 3.41Å
187F95.1Very high94.4Very high125 Ų125107 Ų10755%0.54851%0.513SS..Hα-helixtrans-62-44.7175.8-82.4-62.6000111.7L183 M184 E185 N189 L190 L191L183-F187 WeakPolarHBondContact O-CD2 3.26Å; L183-F187 PolarHBondContact O-N 3.22Å; M184-F187 PolarHBondContact O-N 3.39Å; E185-F187 PolarHBondContact O-N 2.98Å; F187-N189 PolarHBondContact O-N 2.84Å; F187-L190 PolarHBondContact O-N 3.45Å; F187-L191 WeakPolarHBondContact O-CB 3.26Å; F187-L191 VanDerWaalsContact O-CG 3.3Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 2.82Å
188A94.8Very high93.5Very high42 Ų42105.5 Ų105.535%0.34751%0.506SS..Hα-helixtrans-62.1-43177.400000112.1M184 E185 L191 N192M184-A188 WeakPolarHBondContact O-CB 3.39Å; M184-A188 PolarHBondContact O-N 3.38Å; E185-A188 PolarHBondContact O-N 2.81Å; A188-L191 PolarHBondContact O-N 2.81Å; A188-N192 WeakPolarHBondContact O-CB 3.45Å; A188-N192 VanDerWaalsContact O-CG 3.27Å; A188-N192 PolarHBondContact O-N 2.84Å; A188-N192 PolarHBondContact O-ND2 2.87Å
189N94.6Very high92.8Very high81 Ų81103 Ų10343%0.43350%0.496SS..Hα-helixtrans-62.1-46.5176.2-74.5-25.9000111.8E185 K186 F187 L191 N192 E193E185-N189 WeakPolarHBondContact O-CB 3.47Å; E185-N189 PolarHBondContact O-N 2.85Å; E185-N189 PolarHBondContact O-ND2 3.33Å; K186-N189 PolarHBondContact O-N 2.88Å; F187-N189 PolarHBondContact O-N 2.84Å; N189-L191 PolarHBondContact O-N 2.88Å; N189-N192 PolarHBondContact O-N 2.95Å; N189-E193 WeakPolarHBondContact O-CG 3.24Å; N189-E193 PolarHBondContact O-N 2.92Å
190L94.4Very high92.3Very high93 Ų93105.3 Ų105.349%0.48750%0.5SS..Hα-helixtrans-60.1-44.1175.2-74.4170.6000112K186 F187 N192 E193 K194K186-L190 WeakPolarHBondContact O-CB 3.48Å; K186-L190 WeakPolarHBondContact O-CG 3.29Å; K186-L190 PolarHBondContact O-N 3.41Å; F187-L190 PolarHBondContact O-N 3.45Å; L190-N192 PolarHBondContact O-N 2.92Å; L190-E193 PolarHBondContact O-N 2.95Å; L190-K194 WeakPolarHBondContact O-CB 3.26Å; L190-K194 WeakPolarHBondContact O-CG 3.48Å; L190-K194 PolarHBondContact O-N 2.86Å
191L92.2Very high91.5Very high122 Ų122102.9 Ų102.964%0.63949%0.49SS*.Hα-helixtrans-62.4-42.2176.5-73.8173.3000111.7F187 A188 N189 K194 K195F187-L191 WeakPolarHBondContact O-CB 3.26Å; F187-L191 VanDerWaalsContact O-CG 3.3Å; F187-L191 WeakPolarHBondContact O-CG 3.46Å; F187-L191 PolarHBondContact O-N 2.82Å; A188-L191 PolarHBondContact O-N 2.81Å; N189-L191 PolarHBondContact O-N 2.88Å; L191-K194 PolarHBondContact O-N 3.18Å; L191-K195 WeakPolarHBondContact O-CB 3.33Å; L191-K195 PolarHBondContact O-N 2.56Å
192N92.4Very high90.6Very high87 Ų87102 Ų10247%0.46549%0.485SS..Hα-helixtrans-65.4-41.3177.3-76.4-29.5000112.4A188 N189 L190 K195 K196A188-N192 WeakPolarHBondContact O-CB 3.45Å; A188-N192 VanDerWaalsContact O-CG 3.27Å; A188-N192 PolarHBondContact O-N 2.84Å; A188-N192 PolarHBondContact O-ND2 2.87Å; N189-N192 PolarHBondContact O-N 2.95Å; L190-N192 PolarHBondContact O-N 2.92Å; N192-K195 PolarHBondContact O-N 3.34Å; N192-K196 WeakPolarHBondContact O-CG 3.27Å; N192-K196 PolarHBondContact O-N 2.78Å
193E92.7Very high89.8Confident130 Ų130106.1 Ų106.161%0.60750%0.502SS*.Hα-helixtrans-62.7-45.4173.9-75.2-178.1174.400111.7N189 L190 K195 K196 R197N189-E193 WeakPolarHBondContact O-CG 3.24Å; N189-E193 PolarHBondContact O-N 2.92Å; L190-E193 PolarHBondContact O-N 2.95Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 3.27Å; E193-K196 PolarHBondContact O-N 3.48Å; E193-R197 WeakPolarHBondContact O-CB 3.46Å; E193-R197 PolarHBondContact O-N 2.9Å
194K90.3Very high88.9Confident112 Ų112105.4 Ų105.449%0.48751%0.509SS..Hα-helixtrans-60.2-44.3175-68.6-71.3-177177.80110.8L190 L191 R197 I198L190-K194 WeakPolarHBondContact O-CB 3.26Å; L190-K194 WeakPolarHBondContact O-CG 3.48Å; L190-K194 PolarHBondContact O-N 2.86Å; L191-K194 PolarHBondContact O-N 3.18Å; K194-R197 PolarHBondContact O-N 3.36Å; K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.15Å; K194-I198 PolarHBondContact O-N 3.03Å
195K89.1Confident87.3Confident121 Ų121101.9 Ų101.953%0.52651%0.506SS..Hα-helixtrans-61.5-48176.5-170.6179.1177-177.50112.6L191 N192 E193 R197 I198 E199L191-K195 WeakPolarHBondContact O-CB 3.33Å; L191-K195 PolarHBondContact O-N 2.56Å; N192-K195 PolarHBondContact O-N 3.34Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 3.27Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.36Å; K195-I198 WeakPolarHBondContact O-CB 3.46Å; K195-I198 PolarHBondContact O-N 3.41Å; K195-E199 WeakPolarHBondContact CE-OE1 3.11Å; K195-E199 WeakPolarHBondContact O-CG 3.46Å; K195-E199 PolarHBondContact O-N 3.34Å
196K88.9Confident85.5Confident136 Ų13699.3 Ų99.359%0.59150%0.497SS*.Hα-helixtrans-59.1-39.3174.3-74.7178.3-177.41770111.8N192 E193 E199 Q200N192-K196 WeakPolarHBondContact O-CG 3.27Å; N192-K196 PolarHBondContact O-N 2.78Å; E193-K196 PolarHBondContact O-N 3.48Å; K196-E199 PolarHBondContact O-N 3.42Å; K196-Q200 VanDerWaalsContact O-CG 3.28Å; K196-Q200 WeakPolarHBondContact O-CG 3.32Å; K196-Q200 PolarHBondContact O-N 2.77Å
197R87.3Confident83.6Confident143 Ų14396.9 Ų96.954%0.5449%0.492SS..Hα-helixtrans-67.1-39.7177.6-171.856.8174.3167.91.2112E193 K194 K195 L201E193-R197 WeakPolarHBondContact O-CB 3.46Å; E193-R197 PolarHBondContact O-N 2.9Å; K194-R197 PolarHBondContact O-N 3.36Å; K195-R197 VanDerWaalsContact C-N 3.26Å; K195-R197 PolarHBondContact O-N 3.36Å; R197-L201 HydrophobicContact CG-CD1 3.96Å; R197-L201 WeakPolarHBondContact O-CB 3.34Å; R197-L201 WeakPolarHBondContact O-CD1 3.31Å; R197-L201 VanDerWaalsContact O-CG 3.27Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.41Å; R197-L201 VanDerWaalsContact O-N 3.13Å
198I79.5Confident81.8Confident52 Ų5296.1 Ų96.127%0.26750%0.499SS..Hα-helixtrans-56.4-55.4171-66.9156.3000109.5K194 K195 Q200 L201 E202 F210K194-I198 WeakPolarHBondContact O-CD1 3.23Å; K194-I198 WeakPolarHBondContact O-CG1 3.15Å; K194-I198 PolarHBondContact O-N 3.03Å; K195-I198 WeakPolarHBondContact O-CB 3.46Å; K195-I198 PolarHBondContact O-N 3.41Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 2.98Å; I198-L201 PolarHBondContact O-N 3.19Å; I198-E202 HydrophobicContact CG2-CG 4.39Å; I198-E202 WeakPolarHBondContact O-CG 3.44Å; I198-E202 PolarHBondContact O-N 2.94Å; I198-F210 HydrophobicContact CB-CE1 3.84Å; I198-F210 HydrophobicContact CB-CZ 3.82Å; I198-F210 HydrophobicContact CD1-CZ 4.49Å; I198-F210 HydrophobicContact CG1-CE1 3.49Å; I198-F210 VanDerWaalsContact CG1-CE1 3.49Å; I198-F210 HydrophobicContact CG1-CE2 4.44Å; I198-F210 HydrophobicContact CG1-CZ 3.25Å; I198-F210 HydrophobicContact CG2-CD1 4.37Å; I198-F210 HydrophobicContact CG2-CE1 3.57Å; I198-F210 HydrophobicContact CG2-CZ 4.09Å
199E83.1Confident80.1Confident78 Ų7898.8 Ų98.836%0.36451%0.506SS..Hα-helixtrans-59.6-38.7-178.1-70.5171.4-171.100113K195 K196 K203K195-E199 WeakPolarHBondContact CE-OE1 3.11Å; K195-E199 WeakPolarHBondContact O-CG 3.46Å; K195-E199 PolarHBondContact O-N 3.34Å; K196-E199 PolarHBondContact O-N 3.42Å; E199-K203 WeakPolarHBondContact O-CG 3.26Å; E199-K203 PolarHBondContact O-N 3.45Å
200Q85.6Confident78.4Confident108 Ų10896.7 Ų96.751%0.50549%0.493SS..Hα-helixtrans-64.2-41.3175-75.9173.4-1.300112.4K196 I198 K203 A204K196-Q200 VanDerWaalsContact O-CG 3.28Å; K196-Q200 WeakPolarHBondContact O-CG 3.32Å; K196-Q200 PolarHBondContact O-N 2.77Å; I198-Q200 VanDerWaalsContact C-N 3.33Å; I198-Q200 PolarHBondContact O-N 2.98Å; Q200-K203 PolarHBondContact O-N 3.25Å; Q200-A204 WeakPolarHBondContact O-CB 3.22Å; Q200-A204 PolarHBondContact O-N 3.41Å
201L81.9Confident76.8Confident38 Ų3895.9 Ų95.920%0.19949%0.493CS..Hα-helixtrans-72.4-33.5-179.4-72164.2000111.6R197 I198 N206 F210R197-L201 HydrophobicContact CG-CD1 3.96Å; R197-L201 WeakPolarHBondContact O-CB 3.34Å; R197-L201 WeakPolarHBondContact O-CD1 3.31Å; R197-L201 VanDerWaalsContact O-CG 3.27Å; R197-L201 WeakPolarHBondContact O-CG 3.46Å; R197-L201 PolarHBondContact O-N 3.41Å; R197-L201 VanDerWaalsContact O-N 3.13Å; I198-L201 PolarHBondContact O-N 3.19Å; L201-N206 PolarHBondContact O-N 3.18Å; L201-F210 HydrophobicContact CB-CD2 3.67Å; L201-F210 HydrophobicContact CB-CE2 4.06Å; L201-F210 HydrophobicContact CB-CG 4.27Å; L201-F210 HydrophobicContact CD1-CD2 3.41Å; L201-F210 VanDerWaalsContact CD1-CD2 3.41Å; L201-F210 HydrophobicContact CD1-CE2 3.2Å; L201-F210 HydrophobicContact CD1-CZ 4.33Å; L201-F210 HydrophobicContact CG-CD2 4.1Å; L201-F210 HydrophobicContact CG-CE2 4.23Å
202E78.3Confident75.3Confident104 Ų10499.3 Ų99.349%0.48650%0.498SS..Hα-helixtrans-63-48.6169.8-71.5175.9165.100111.7I198 A204 G205I198-E202 HydrophobicContact CG2-CG 4.39Å; I198-E202 WeakPolarHBondContact O-CG 3.44Å; I198-E202 PolarHBondContact O-N 2.94Å; E202-A204 PolarHBondContact O-N 2.95Å; E202-G205 PolarHBondContact O-N 3.28Å
203K80.1Confident73.9Confident181 Ų181101.7 Ų101.779%0.78751%0.505SS*.Hα-helixtrans-65.5-34179-73.3179.8-172.4179.40113.9E199 Q200 G205E199-K203 WeakPolarHBondContact O-CG 3.26Å; E199-K203 PolarHBondContact O-N 3.45Å; Q200-K203 PolarHBondContact O-N 3.25Å; K203-G205 PolarHBondContact O-N 2.98Å; K203-G205 VanDerWaalsContact O-N 3.12Å
204A78.2Confident72.4Confident71 Ų7199 Ų9959%0.58749%0.494SS*.THydrogen-bonded Turntrans-73.26.7179.200000113.8Q200 E202 N206Q200-A204 WeakPolarHBondContact O-CB 3.22Å; Q200-A204 PolarHBondContact O-N 3.41Å; E202-A204 PolarHBondContact O-N 2.95Å; A204-N206 PolarHBondContact O-N 3.05Å
205G62.8Low71.1Confident60 Ų6098.6 Ų98.662%0.61950%0.496SS*.THydrogen-bonded Turntrans71.417.4179.600000113.9E202 K203E202-G205 PolarHBondContact O-N 3.28Å; K203-G205 PolarHBondContact O-N 2.98Å; K203-G205 VanDerWaalsContact O-N 3.12Å
206N57.3Low69.8Low71 Ų7196 Ų9638%0.3849%0.493SS..  trans-9924.9-177.4-107.1-22.3000112.9L201 A204 T208 L209 F210L201-N206 PolarHBondContact O-N 3.18Å; A204-N206 PolarHBondContact O-N 3.05Å; N206-T208 PolarHBondContact O-N 2.65Å; N206-T208 VanDerWaalsContact O-N 3.15Å; N206-L209 PolarHBondContact O-N 3.44Å; N206-F210 PolarHBondContact O-N 2.73Å
207V56.6Low68.3Low79 Ų7998.5 Ų98.548%0.47950%0.499SS..Hα-helixtrans-56.7-33.7-173.5-179.40000112.3F210 T211V207-F210 PolarHBondContact O-N 3.3Å; V207-T211 PolarHBondContact O-N 2.91Å; V207-T211 PolarHBondContact O-OG1 3.39Å
208T58.9Low66.6Low110 Ų110100.4 Ų100.468%0.67551%0.511SS*.Hα-helixtrans-73.3-30.8177.7380000114N206 F210 T211N206-T208 PolarHBondContact O-N 2.65Å; N206-T208 VanDerWaalsContact O-N 3.15Å; T208-F210 VanDerWaalsContact C-N 3.28Å; T208-T211 PolarHBondContact O-OG1 2.65Å
209L59Low65.3Low97 Ų97106.5 Ų106.551%0.50854%0.536SS..Hα-helixtrans-77.5-22.4175.7-126.7149.2000111.4N206 K213N206-L209 PolarHBondContact O-N 3.44Å; L209-K213 PolarHBondContact O-N 3.36Å
210F57Low63.4Low37 Ų37109.6 Ų109.616%0.16258%0.575CS.*Hα-helixtrans-81.8-45.1-174.7-156.8-105.7000113.3I198 L201 N206 V207 T208 Y212 K213 L214I198-F210 HydrophobicContact CB-CE1 3.84Å; I198-F210 HydrophobicContact CB-CZ 3.82Å; I198-F210 HydrophobicContact CD1-CZ 4.49Å; I198-F210 HydrophobicContact CG1-CE1 3.49Å; I198-F210 VanDerWaalsContact CG1-CE1 3.49Å; I198-F210 HydrophobicContact CG1-CE2 4.44Å; I198-F210 HydrophobicContact CG1-CZ 3.25Å; I198-F210 HydrophobicContact CG2-CD1 4.37Å; I198-F210 HydrophobicContact CG2-CE1 3.57Å; I198-F210 HydrophobicContact CG2-CZ 4.09Å; L201-F210 HydrophobicContact CB-CD2 3.67Å; L201-F210 HydrophobicContact CB-CE2 4.06Å; L201-F210 HydrophobicContact CB-CG 4.27Å; L201-F210 HydrophobicContact CD1-CD2 3.41Å; L201-F210 VanDerWaalsContact CD1-CD2 3.41Å; L201-F210 HydrophobicContact CD1-CE2 3.2Å; L201-F210 HydrophobicContact CD1-CZ 4.33Å; L201-F210 HydrophobicContact CG-CD2 4.1Å; L201-F210 HydrophobicContact CG-CE2 4.23Å; N206-F210 PolarHBondContact O-N 2.73Å; V207-F210 PolarHBondContact O-N 3.3Å; T208-F210 VanDerWaalsContact C-N 3.28Å; F210-Y212 VanDerWaalsContact C-N 3.28Å; F210-Y212 PolarHBondContact O-N 3.27Å; F210-K213 PolarHBondContact O-N 3.11Å; F210-L214 HydrophobicContact CD1-CD1 3.89Å; F210-L214 HydrophobicContact CE1-CD1 3.22Å; F210-L214 HydrophobicContact CZ-CD1 3.74Å; F210-L214 PolarHBondContact O-N 3.02Å
211T62.1Low62.3Low77 Ų77109.7 Ų109.747%0.47258%0.579SS.*Hα-helixtrans-58.9-39.4173.139.30000112V207 T208 K213 L214 I215V207-T211 PolarHBondContact O-N 2.91Å; V207-T211 PolarHBondContact O-OG1 3.39Å; T208-T211 PolarHBondContact O-OG1 2.65Å; T211-K213 PolarHBondContact O-N 2.91Å; T211-L214 PolarHBondContact O-N 3.08Å; T211-I215 WeakPolarHBondContact O-CB 3.24Å; T211-I215 WeakPolarHBondContact O-CD1 3.45Å; T211-I215 VanDerWaalsContact O-CG1 3.22Å; T211-I215 WeakPolarHBondContact O-CG1 3.42Å; T211-I215 PolarHBondContact O-N 3.42Å; T211-I215 VanDerWaalsContact O-N 3.14Å
212Y59.9Low61.3Low194 Ų194113.5 Ų113.576%0.76160%0.599SS**Hα-helixtrans-63-39.8176.9-107.5-88.1000113.5F210 S216F210-Y212 VanDerWaalsContact C-N 3.28Å; F210-Y212 PolarHBondContact O-N 3.27Å; Y212-S216 PolarHBondContact O-N 2.93Å
213K62.7Low60.4Low137 Ų137114 Ų11460%0.59661%0.605SS**Hα-helixtrans-78.3-32.2178.9-81.3-174.1174.9-179.90113.7L209 F210 T211 S216 W217L209-K213 PolarHBondContact O-N 3.36Å; F210-K213 PolarHBondContact O-N 3.11Å; T211-K213 PolarHBondContact O-N 2.91Å; K213-S216 PolarHBondContact O-N 2.64Å; K213-S216 PolarHBondContact O-OG 3.14Å; K213-W217 PolarHBondContact O-N 3.3Å; K213-W217 VanDerWaalsContact O-N 3.08Å
214L62.1Low59.2Low74 Ų74110.1 Ų110.139%0.38759%0.594SS.*Hα-helixtrans-70.5-39.4177.9-126.8139.7000111.6F210 T211 S216 W217 F218F210-L214 HydrophobicContact CD1-CD1 3.89Å; F210-L214 HydrophobicContact CE1-CD1 3.22Å; F210-L214 HydrophobicContact CZ-CD1 3.74Å; F210-L214 PolarHBondContact O-N 3.02Å; T211-L214 PolarHBondContact O-N 3.08Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.31Å; L214-W217 PolarHBondContact O-N 3.03Å; L214-F218 HydrophobicContact CD2-CD2 4.42Å; L214-F218 PolarHBondContact O-N 3.38Å; L214-F218 VanDerWaalsContact O-N 3.16Å
215I62.2Low58Low102 Ų102112.5 Ų112.552%0.52360%0.595SS.*Hα-helixtrans-63.9-33.4172.8-67.1167.8000111.2T211 K219T211-I215 WeakPolarHBondContact O-CB 3.24Å; T211-I215 WeakPolarHBondContact O-CD1 3.45Å; T211-I215 VanDerWaalsContact O-CG1 3.22Å; T211-I215 WeakPolarHBondContact O-CG1 3.42Å; T211-I215 PolarHBondContact O-N 3.42Å; T211-I215 VanDerWaalsContact O-N 3.14Å; I215-K219 HydrophobicContact CG2-CD 4.43Å
216S62.5Low57.7Low66 Ų66116 Ų11646%0.46259%0.593SS.*Hα-helixtrans-75.3-31176.982.30000113.3Y212 K213 L214Y212-S216 PolarHBondContact O-N 2.93Å; K213-S216 PolarHBondContact O-N 2.64Å; K213-S216 PolarHBondContact O-OG 3.14Å; L214-S216 VanDerWaalsContact C-N 3.28Å; L214-S216 PolarHBondContact O-N 3.31Å
217W57.1Low57.7Low190 Ų190119.2 Ų119.272%0.7261%0.608SS**Hα-helixtrans-76.2-29177.4-106.654.6000113.5K213 L214 K219K213-W217 PolarHBondContact O-N 3.3Å; K213-W217 VanDerWaalsContact O-N 3.08Å; L214-W217 PolarHBondContact O-N 3.03Å; W217-K219 VanDerWaalsContact C-N 3.34Å
218F52.4Low57.8Low182 Ų182122.3 Ų122.380%0.79862%0.618SS**SBendtrans-83.4-8.4175.7-110.1-86.7000114L214L214-F218 HydrophobicContact CD2-CD2 4.42Å; L214-F218 PolarHBondContact O-N 3.38Å; L214-F218 VanDerWaalsContact O-N 3.16Å
219K52Low57.7Low180 Ų180123.3 Ų123.378%0.78361%0.613SS**  trans-99.5-3.6178.8-85.7-175.5173-177.20113.9I215 W217I215-K219 HydrophobicContact CG2-CD 4.43Å; W217-K219 VanDerWaalsContact C-N 3.34Å
220A43.9Very low57.6Low144 Ų144125.7 Ų125.7100%1.1962%0.623SS**  trans-113.10176.500000109.5

Retrieved 220 of 220 residues in 192 ms (Link to these results)

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