A0A096MWY7_PAPAN Loading...

Replication factor C subunit 3

Subunit of the replication factor C (RFC) complex which acts during elongation of primed DNA templates by DNA polymerases delta and epsilon, and is necessary for ATP-dependent loading of proliferating cell nuclear antigen (PCNA) onto primed DNA.

AlphaFold DB (G7NJX6), UniProt , Accession A0A096MWY7, Species PAPAN (Papio anubis, Olive baboon), Gene RFC3, Length 356 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
1M50.2Low85.9Confident245 Ų24576.5 Ų76.5100%1.20739%0.392SS*.  0127.30-78.6177.4-12100107.4
2S77Confident86.4Confident78 Ų7872.6 Ų72.655%0.54538%0.377SS..  trans-79.3139.217547.60000110
3L89.6Confident86.7Confident91 Ų9167.2 Ų67.248%0.47635%0.349SS..  trans-59.2148.1173-66.4170.8000110.3V5 D6 K7 L228L3-V5 PolarHBondContact O-N 3.13Å; L3-D6 PolarHBondContact O-N 3.37Å; L3-D6 VanDerWaalsContact O-N 3.11Å; L3-K7 PolarHBondContact O-N 3.3Å; L3-L228 HydrophobicContact CD1-CD2 4.41Å
4W90.3Very high86.9Confident9 Ų966.2 Ų66.23%0.03436%0.364CS..Hα-helixtrans-59.7-32179.8-68.5-6.2000112.9D6 K7 Y8 V199 E203 L205 E231 R234W4-D6 VanDerWaalsContact C-N 3.26Å; W4-D6 PolarHBondContact O-N 3.36Å; W4-K7 PolarHBondContact O-N 3.33Å; W4-Y8 HydrophobicContact CB-CD2 4.11Å; W4-Y8 HydrophobicContact CB-CE2 4.47Å; W4-Y8 HydrophobicContact CG-CD2 4.48Å; W4-Y8 HydrophobicContact CG-CE2 4.36Å; W4-Y8 WeakPolarHBondContact O-CD2 3.45Å; W4-Y8 PolarHBondContact O-N 3.32Å; W4-V199 HydrophobicContact CE3-CG1 4.36Å; W4-E203 HydrophobicContact CZ2-CB 4.41Å; W4-E203 HydrophobicContact CZ2-CG 3.89Å; W4-L205 HydrophobicContact CH2-CD1 4.19Å; W4-L205 HydrophobicContact CZ2-CD1 4.24Å; W4-E231 WeakPolarHBondContact CB-OE2 3.33Å; W4-E231 HydrophobicContact CD2-CB 3.99Å; W4-E231 HydrophobicContact CD2-CG 3.75Å; W4-E231 HydrophobicContact CE3-CB 3.61Å; W4-E231 HydrophobicContact CE3-CG 3.9Å; W4-E231 HydrophobicContact CG-CG 4.11Å; W4-E231 HydrophobicContact CZ3-CB 4.07Å; W4-E231 HydrophobicContact CZ3-CG 4.43Å; W4-E231 PolarHBondContact N-OE2 2.97Å; W4-R234 HydrophobicContact CH2-CB 4.32Å; W4-R234 HydrophobicContact CH2-CG 4.45Å; W4-R234 VanDerWaalsContact CZ2-CD 3.41Å
5V90.7Very high87.2Confident27 Ų2772.1 Ų72.116%0.16438%0.378CS..Hα-helixtrans-53.9-42.5176.2178.20000112.1L3 R224 L227 L228L3-V5 PolarHBondContact O-N 3.13Å; V5-R224 HydrophobicContact CG1-CG 4.06Å; V5-L227 HydrophobicContact CG2-CB 3.76Å; V5-L228 HydrophobicContact CG2-CD2 3.66Å; V5-L228 HydrophobicContact CG2-CG 3.76Å
6D88.9Confident87.5Confident102 Ų10268.1 Ų68.155%0.54536%0.357SS..Hα-helixtrans-90.7-36-179.3-73-31.6000111.7L3 W4 Y8 R9L3-D6 PolarHBondContact O-N 3.37Å; L3-D6 VanDerWaalsContact O-N 3.11Å; W4-D6 VanDerWaalsContact C-N 3.26Å; W4-D6 PolarHBondContact O-N 3.36Å; D6-Y8 PolarHBondContact O-N 3.02Å; D6-R9 WeakPolarHBondContact O-CB 3.45Å; D6-R9 PolarHBondContact O-N 3.17Å
7K91.3Very high87.6Confident109 Ų10966.9 Ų66.947%0.47435%0.351SS..Hα-helixtrans-61.3-40.6179.6-174.7-179.7175.4-172.20112.8L3 W4 E203L3-K7 PolarHBondContact O-N 3.3Å; W4-K7 PolarHBondContact O-N 3.33Å; K7-E203 IonicContact NZ-OE1 3.43Å; K7-E203 PolarHBondContact NZ-OE1 2.65Å; K7-E203 IonicContact NZ-OE2 3.94Å
8Y92Very high87.8Confident44 Ų4463.8 Ų63.817%0.17333%0.334CS..THydrogen-bonded Turntrans-100.45.1-176.1-68-66.9000114.5W4 D6 V199 K202 E203W4-Y8 HydrophobicContact CB-CD2 4.11Å; W4-Y8 HydrophobicContact CB-CE2 4.47Å; W4-Y8 HydrophobicContact CG-CD2 4.48Å; W4-Y8 HydrophobicContact CG-CE2 4.36Å; W4-Y8 WeakPolarHBondContact O-CD2 3.45Å; W4-Y8 PolarHBondContact O-N 3.32Å; D6-Y8 PolarHBondContact O-N 3.02Å; Y8-V199 HydrophobicContact CD2-CB 4.47Å; Y8-V199 HydrophobicContact CD2-CG1 3.56Å; Y8-V199 HydrophobicContact CD2-CG2 4.27Å; Y8-V199 HydrophobicContact CE2-CG1 3.89Å; Y8-V199 HydrophobicContact CG-CG1 4.14Å; Y8-V199 HydrophobicContact CG-CG2 4.03Å; Y8-K202 HydrophobicContact CD1-CB 4.45Å; Y8-K202 HydrophobicContact CD1-CD 3.79Å; Y8-K202 HydrophobicContact CE1-CB 3.68Å; Y8-K202 HydrophobicContact CE1-CD 3.76Å; Y8-K202 HydrophobicContact CE1-CG 4.35Å; Y8-E203 HydrophobicContact CE2-CG 3.7Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.39Å; Y8-E203 VanDerWaalsContact OH-CG 3.25Å; Y8-E203 WeakPolarHBondContact OH-CG 3.31Å; Y8-E203 PolarHBondContact OH-OE1 3Å
9R91.6Very high88.1Confident73 Ų7363.1 Ų63.128%0.27533%0.329SS..  trans-59.4126.4176.5-175.5174.1174.9-173.1-7.2109.8D6 K49 T50D6-R9 WeakPolarHBondContact O-CB 3.45Å; D6-R9 PolarHBondContact O-N 3.17Å; R9-K49 PolarHBondContact NH2-O 2.96Å; R9-T50 HydrophobicContact CG-CG2 3.71Å; R9-T50 PolarHBondContact NE-OG1 3.06Å
10P92.2Very high88.3Confident22 Ų2267.2 Ų67.214%0.14334%0.344CS..  trans-67.9138.5178.125.4-32.2000110.4R15 T50 C54P10-R15 HydrophobicContact CB-CB 4.33Å; P10-R15 WeakPolarHBondContact CB-O 3.38Å; P10-T50 HydrophobicContact CG-CG2 3.61Å; P10-T50 WeakPolarHBondContact O-CG2 3.17Å; P10-C54 PolarHBondContact O-SG 3.03Å; P10-C54 VanDerWaalsContact O-SG 3.37Å
11C90.7Very high88.6Confident41 Ų4170.9 Ų70.928%0.27736%0.36SS..  trans-101.2-13.4-178-52.30000113.9R57C11-R57 WeakPolarHBondContact O-CD 3.4Å
12S92Very high90.7Very high30 Ų3061 Ų6121%0.2131%0.311CS..SBendtrans-129148.4-174.4-53.30000110.8G14 R15 L16S12-G14 VanDerWaalsContact C-N 3.25Å; S12-G14 PolarHBondContact O-N 3.02Å; S12-R15 PolarHBondContact O-N 3.02Å; S12-L16 WeakPolarHBondContact O-CD1 3.45Å
13L90.1Very high91.4Very high2 Ų257.6 Ų57.61%0.0129%0.287CS..G310 helixtrans-61.1-34.4-176-75.1175.9000112.9R15 L16 L26 R27 C54 I55 E58L13-R15 VanDerWaalsContact C-N 3.25Å; L13-R15 PolarHBondContact O-N 3.19Å; L13-L16 HydrophobicContact CD2-CD1 4.14Å; L13-L16 VanDerWaalsContact O-CD1 3.27Å; L13-L16 WeakPolarHBondContact O-CD1 3.5Å; L13-L26 HydrophobicContact CD1-CB 4.11Å; L13-L26 HydrophobicContact CD2-CB 4.35Å; L13-L26 HydrophobicContact CD2-CD1 4.49Å; L13-R27 HydrophobicContact CD1-CB 4.05Å; L13-C54 HydrophobicContact CD2-CB 3.6Å; L13-C54 HydrophobicContact CG-CB 3.85Å; L13-I55 HydrophobicContact CD1-CG1 4.48Å; L13-I55 HydrophobicContact CD2-CG1 4.43Å; L13-E58 HydrophobicContact CB-CG 4.43Å; L13-E58 HydrophobicContact CD1-CG 4.02Å; L13-E58 HydrophobicContact CG-CG 4.1Å; L13-E58 PolarHBondContact N-OE1 3.12Å
14G89.5Confident91.6Very high54 Ų5456.9 Ų56.956%0.55729%0.287SS*.G310 helixtrans-73.8-11.5176.900000115S12 R27S12-G14 VanDerWaalsContact C-N 3.25Å; S12-G14 PolarHBondContact O-N 3.02Å; G14-R27 VanDerWaalsContact N-NH2 3.1Å
15R91.3Very high91.8Very high154 Ų15461.7 Ų61.758%0.58131%0.31SS*.G310 helixtrans-101.79.8179.8-65-178.165.7-163.70.5112.7P10 S12 L13P10-R15 HydrophobicContact CB-CB 4.33Å; P10-R15 WeakPolarHBondContact CB-O 3.38Å; S12-R15 PolarHBondContact O-N 3.02Å; L13-R15 VanDerWaalsContact C-N 3.25Å; L13-R15 PolarHBondContact O-N 3.19Å
16L92.4Very high91.9Very high9 Ų960.8 Ų60.85%0.04730%0.304CS..  trans-67.4134.7175.3-91.480.9000110.7S12 L13 A23 R51 C54S12-L16 WeakPolarHBondContact O-CD1 3.45Å; L13-L16 HydrophobicContact CD2-CD1 4.14Å; L13-L16 VanDerWaalsContact O-CD1 3.27Å; L13-L16 WeakPolarHBondContact O-CD1 3.5Å; L16-A23 HydrophobicContact CB-CB 4.41Å; L16-A23 HydrophobicContact CD2-CB 4.18Å; L16-R51 HydrophobicContact CD2-CG 3.87Å; L16-R51 VanDerWaalsContact CD2-NE 3.26Å; L16-C54 HydrophobicContact CD1-CB 4.44Å
17D89.4Confident92.1Very high47 Ų4759.8 Ų59.825%0.25129%0.292SS..SBendtrans-74.8-30.9-177.4-53.8-61.2000112.4V195D17-V195 HydrophobicContact CB-CG2 3.57Å
18Y92.1Very high92.2Very high11 Ų1158.6 Ų58.64%0.04329%0.291CS..SBendtrans-140.6162.1-176.359.6-82.1000112.8A46 R51 P187 V195 L223Y18-A46 PolarHBondContact OH-O 2.92Å; Y18-R51 VanDerWaalsContact CZ-NH1 3.35Å; Y18-R51 PolarHBondContact O-NH2 3.16Å; Y18-R51 PolarHBondContact OH-NH1 3.35Å; Y18-P187 HydrophobicContact CD1-CB 4.45Å; Y18-P187 HydrophobicContact CD2-CB 3.78Å; Y18-P187 HydrophobicContact CE1-CB 4.46Å; Y18-P187 HydrophobicContact CE2-CB 3.73Å; Y18-P187 HydrophobicContact CE2-CG 4Å; Y18-P187 HydrophobicContact CG-CB 4.15Å; Y18-V195 HydrophobicContact CD1-CG2 4.31Å; Y18-L223 HydrophobicContact CE1-CD2 3.5Å; Y18-L223 WeakPolarHBondContact OH-CD2 3.43Å
19H92.1Very high92.2Very high50 Ų5058 Ų5823%0.23129%0.291CS..  trans56.950.1-172.6-55.7-33.5000113E21 Q22 A23 P185H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 3.34Å; H19-Q22 HydrophobicContact CB-CB 4.29Å; H19-Q22 PolarHBondContact O-N 3.11Å; H19-A23 PolarHBondContact O-N 3.11Å; H19-P185 PolarHBondContact NE2-O 2.87Å
20K92.9Very high92.1Very high145 Ų14555 Ų5563%0.6328%0.28SS*.Hα-helixtrans-62.2-34-175.3-65.3-178.4-179.6174.60113.6A23 T24K20-A23 PolarHBondContact O-N 3.5Å; K20-T24 PolarHBondContact O-N 3.21Å; K20-T24 PolarHBondContact O-OG1 3.04Å
21E94.3Very high91.9Very high145 Ų14560.2 Ų60.268%0.67830%0.303SS*.Hα-helixtrans-63.5-49.6175.8-170-170.8164.600111H19 A23 T24 Q25H19-E21 VanDerWaalsContact C-N 3.31Å; H19-E21 PolarHBondContact O-N 3.34Å; E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 2.89Å; E21-T24 WeakPolarHBondContact O-CA 3.35Å; E21-T24 WeakPolarHBondContact O-CB 3.25Å; E21-T24 PolarHBondContact O-N 3.49Å; E21-Q25 WeakPolarHBondContact O-CG 3.09Å; E21-Q25 PolarHBondContact O-N 3.4Å
22Q93.7Very high91.4Very high38 Ų3861.7 Ų61.718%0.17831%0.313CS..Hα-helixtrans-59.8-39.6174.6176.3172.774.100111.7H19 T24 Q25 L26 R183H19-Q22 HydrophobicContact CB-CB 4.29Å; H19-Q22 PolarHBondContact O-N 3.11Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.13Å; Q22-Q25 PolarHBondContact O-N 2.99Å; Q22-L26 HydrophobicContact CG-CD1 4.15Å; Q22-L26 HydrophobicContact CG-CG 4.39Å; Q22-L26 WeakPolarHBondContact O-CB 2.86Å; Q22-L26 WeakPolarHBondContact O-CG 3.39Å; Q22-L26 PolarHBondContact O-N 3.11Å; Q22-R183 PolarHBondContact NE2-O 3.01Å
23A93.2Very high90.6Very high6 Ų663.1 Ų63.15%0.0533%0.332CS..Hα-helixtrans-61.2-36.9175.800000112.1L16 H19 K20 E21 R27L16-A23 HydrophobicContact CB-CB 4.41Å; L16-A23 HydrophobicContact CD2-CB 4.18Å; H19-A23 PolarHBondContact O-N 3.11Å; K20-A23 PolarHBondContact O-N 3.5Å; E21-A23 VanDerWaalsContact C-N 3.28Å; E21-A23 PolarHBondContact O-N 2.89Å; A23-R27 WeakPolarHBondContact O-CB 3.44Å; A23-R27 PolarHBondContact O-N 2.94Å
24T93.8Very high90.4Very high76 Ų7668.1 Ų68.147%0.46636%0.359SS..Hα-helixtrans-68.9-43.1175.9-53.10000111.3K20 E21 Q22 L26 R27 N28K20-T24 PolarHBondContact O-N 3.21Å; K20-T24 PolarHBondContact O-OG1 3.04Å; E21-T24 WeakPolarHBondContact O-CA 3.35Å; E21-T24 WeakPolarHBondContact O-CB 3.25Å; E21-T24 PolarHBondContact O-N 3.49Å; Q22-T24 VanDerWaalsContact C-N 3.26Å; Q22-T24 PolarHBondContact O-N 3.13Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.21Å; T24-R27 WeakPolarHBondContact O-CB 3.35Å; T24-R27 PolarHBondContact O-N 3.02Å; T24-N28 VanDerWaalsContact O-CG 3.28Å; T24-N28 PolarHBondContact O-N 3.33Å; T24-N28 PolarHBondContact O-OD1 3.24Å
25Q93.6Very high90.5Very high111 Ų11165.6 Ų65.652%0.51933%0.333SS..Hα-helixtrans-60.9-42.9174.4-67.2173.50.300111.9E21 Q22 R27 N28 L29E21-Q25 WeakPolarHBondContact O-CG 3.09Å; E21-Q25 PolarHBondContact O-N 3.4Å; Q22-Q25 PolarHBondContact O-N 2.99Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 3.46Å; Q25-N28 PolarHBondContact O-N 3.2Å; Q25-L29 WeakPolarHBondContact O-CB 3.47Å; Q25-L29 PolarHBondContact O-N 3.49Å
26L93.6Very high90.6Very high8 Ų860 Ų604%0.04232%0.316CS..Hα-helixtrans-64.6-36175.2-71.1173.3000112.1L13 Q22 T24 L29 V30 R51 I55 V182L13-L26 HydrophobicContact CD1-CB 4.11Å; L13-L26 HydrophobicContact CD2-CB 4.35Å; L13-L26 HydrophobicContact CD2-CD1 4.49Å; Q22-L26 HydrophobicContact CG-CD1 4.15Å; Q22-L26 HydrophobicContact CG-CG 4.39Å; Q22-L26 WeakPolarHBondContact O-CB 2.86Å; Q22-L26 WeakPolarHBondContact O-CG 3.39Å; Q22-L26 PolarHBondContact O-N 3.11Å; T24-L26 VanDerWaalsContact C-N 3.35Å; T24-L26 PolarHBondContact O-N 3.21Å; L26-L29 HydrophobicContact CD2-CD2 4.47Å; L26-L29 WeakPolarHBondContact O-CB 3.22Å; L26-L29 PolarHBondContact O-N 3.1Å; L26-V30 PolarHBondContact O-N 3.31Å; L26-V30 VanDerWaalsContact O-N 3.11Å; L26-R51 HydrophobicContact CD1-CG 4.37Å; L26-I55 HydrophobicContact CD1-CD1 4.16Å; L26-I55 HydrophobicContact CD2-CD1 3.97Å; L26-I55 HydrophobicContact CG-CD1 4.5Å; L26-V182 HydrophobicContact CD2-CG1 4.17Å; L26-V182 HydrophobicContact CD2-CG2 4.13Å
27R92.8Very high90.7Very high80 Ų8059.8 Ų59.830%0.30232%0.315SS..Hα-helixtrans-64.4-45.3174.1176.7175.3-78.9170.7-10.8111.4L13 G14 A23 T24 Q25 L29 V30 Q31 E58L13-R27 HydrophobicContact CD1-CB 4.05Å; G14-R27 VanDerWaalsContact N-NH2 3.1Å; A23-R27 WeakPolarHBondContact O-CB 3.44Å; A23-R27 PolarHBondContact O-N 2.94Å; T24-R27 WeakPolarHBondContact O-CB 3.35Å; T24-R27 PolarHBondContact O-N 3.02Å; Q25-R27 VanDerWaalsContact C-N 3.32Å; Q25-R27 PolarHBondContact O-N 3.46Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.21Å; R27-V30 WeakPolarHBondContact O-CG2 3.44Å; R27-V30 PolarHBondContact O-N 2.96Å; R27-Q31 WeakPolarHBondContact O-CG 3.42Å; R27-Q31 PolarHBondContact O-N 3.4Å; R27-Q31 VanDerWaalsContact O-N 3.13Å; R27-E58 IonicContact NE-OE1 3.89Å; R27-E58 IonicContact NH2-OE1 2.94Å; R27-E58 PolarHBondContact NH2-OE1 3.48Å
28N92.2Very high91Very high85 Ų8557.5 Ų57.546%0.45530%0.303SS..Hα-helixtrans-63.1-37.8176.9-63.7-10.2000110.8T24 Q25 V30 Q31 C32T24-N28 VanDerWaalsContact O-CG 3.28Å; T24-N28 PolarHBondContact O-N 3.33Å; T24-N28 PolarHBondContact O-OD1 3.24Å; Q25-N28 PolarHBondContact O-N 3.2Å; N28-V30 PolarHBondContact O-N 2.65Å; N28-Q31 PolarHBondContact O-N 3.46Å; N28-C32 PolarHBondContact O-N 3.05Å
29L92Very high91.3Very high32 Ų3257.1 Ų57.117%0.16830%0.301CS..Hα-helixtrans-62.4-41.5177.2-176.166.5000113.1Q25 L26 R27 Q31 P36 L38 L180Q25-L29 WeakPolarHBondContact O-CB 3.47Å; Q25-L29 PolarHBondContact O-N 3.49Å; L26-L29 HydrophobicContact CD2-CD2 4.47Å; L26-L29 WeakPolarHBondContact O-CB 3.22Å; L26-L29 PolarHBondContact O-N 3.1Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.21Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-P36 HydrophobicContact CD1-CG 4.06Å; L29-L38 HydrophobicContact CD2-CD2 3.89Å; L29-L180 HydrophobicContact CD1-CD1 4.05Å; L29-L180 HydrophobicContact CD2-CD1 4.11Å; L29-L180 HydrophobicContact CD2-CD2 4.48Å
30V90.1Very high91.5Very high8 Ų854.8 Ų54.85%0.04829%0.291CS..Hα-helixtrans-75.3-23.8178-62.30000113L26 R27 N28 F35 I55 E58 L59 R127L26-V30 PolarHBondContact O-N 3.31Å; L26-V30 VanDerWaalsContact O-N 3.11Å; R27-V30 WeakPolarHBondContact O-CG2 3.44Å; R27-V30 PolarHBondContact O-N 2.96Å; N28-V30 PolarHBondContact O-N 2.65Å; V30-F35 HydrophobicContact CG1-CD2 4.36Å; V30-F35 HydrophobicContact CG1-CE2 4.09Å; V30-I55 HydrophobicContact CG1-CG2 3.83Å; V30-E58 HydrophobicContact CG2-CB 4Å; V30-L59 HydrophobicContact CB-CD2 4Å; V30-L59 HydrophobicContact CB-CG 4.26Å; V30-L59 HydrophobicContact CG1-CD1 4.49Å; V30-L59 HydrophobicContact CG1-CD2 4.1Å; V30-L59 HydrophobicContact CG1-CG 3.98Å; V30-R127 PolarHBondContact O-NH2 3.23Å
31Q87.4Confident91.7Very high132 Ų13250.6 Ų50.662%0.61727%0.271SS*.Hα-helixtrans-76.2-30.5174.6-73.4177-6.500112R27 N28 L29R27-Q31 WeakPolarHBondContact O-CG 3.42Å; R27-Q31 PolarHBondContact O-N 3.4Å; R27-Q31 VanDerWaalsContact O-N 3.13Å; N28-Q31 PolarHBondContact O-N 3.46Å; L29-Q31 VanDerWaalsContact C-N 3.33Å
32C81.8Confident91.7Very high73 Ų7344 Ų4449%0.49324%0.243SC..SBendtrans-58.5139.2169.5-76.40000110.6N28 D34 R127N28-C32 PolarHBondContact O-N 3.05Å; C32-D34 VanDerWaalsContact C-N 3.26Å; C32-D34 PolarHBondContact O-N 3.36Å; C32-R127 PolarHBondContact O-NH2 3.44Å; C32-R127 VanDerWaalsContact O-NH2 3.13Å
33G75.1Confident91.8Very high59 Ų5945.2 Ų45.261%0.60825%0.253SS*.SBendtrans-60.7-33.1-175.100000113.6R127G33-R127 PolarHBondContact O-NH1 3.36Å
34D84.9Confident91.7Very high108 Ų10847.9 Ų47.958%0.57827%0.272SS*.SBendtrans-105.6109.8-179-170.717.7000111.9C32 P36 R160C32-D34 VanDerWaalsContact C-N 3.26Å; C32-D34 PolarHBondContact O-N 3.36Å; D34-P36 WeakPolarHBondContact O-CD 2.82Å; D34-R160 IonicContact OD1-CZ 3.62Å; D34-R160 IonicContact OD1-NH2 2.67Å; D34-R160 PolarHBondContact OD1-NH2 3.49Å
35F90.8Very high91.6Very high1 Ų144.8 Ų44.80%0.00426%0.255CS..PPolyproline II helixtrans-90.2116178.7-177-100.9000110.4V30 L38 I55 L59 F129 R160 I162V30-F35 HydrophobicContact CG1-CD2 4.36Å; V30-F35 HydrophobicContact CG1-CE2 4.09Å; F35-L38 HydrophobicContact CE1-CD1 4.43Å; F35-L38 HydrophobicContact CE1-CG 4.29Å; F35-L38 HydrophobicContact CE2-CD1 3.92Å; F35-L38 HydrophobicContact CE2-CG 4.32Å; F35-L38 HydrophobicContact CZ-CD1 3.46Å; F35-L38 VanDerWaalsContact CZ-CD1 3.46Å; F35-L38 HydrophobicContact CZ-CG 3.73Å; F35-I55 HydrophobicContact CE2-CG2 3.93Å; F35-I55 HydrophobicContact CZ-CG2 3.93Å; F35-L59 HydrophobicContact CD1-CD1 4.43Å; F35-L59 HydrophobicContact CD2-CD1 4.17Å; F35-L59 HydrophobicContact CD2-CD2 4.22Å; F35-L59 HydrophobicContact CE1-CD1 4.21Å; F35-L59 HydrophobicContact CE2-CD1 3.94Å; F35-L59 HydrophobicContact CG-CD1 4.4Å; F35-L59 HydrophobicContact CG-CD2 4.46Å; F35-L59 HydrophobicContact CZ-CD1 3.95Å; F35-F129 HydrophobicContact CB-CE1 4.13Å; F35-F129 HydrophobicContact CB-CE2 4.44Å; F35-F129 HydrophobicContact CB-CZ 3.6Å; F35-F129 HydrophobicContact CD1-CE2 4.04Å; F35-F129 HydrophobicContact CD1-CZ 4.02Å; F35-F129 HydrophobicContact CG-CZ 4.08Å; F35-R160 HydrophobicContact CD1-CB 4.04Å; F35-R160 HydrophobicContact CD1-CG 4.16Å; F35-R160 HydrophobicContact CE1-CB 4.38Å; F35-R160 VanDerWaalsContact O-CD 3.3Å; F35-R160 WeakPolarHBondContact O-CD 3.15Å; F35-R160 PolarHBondContact O-NE 3.04Å; F35-I162 HydrophobicContact CE1-CD1 4.42Å; F35-I162 HydrophobicContact CE1-CG1 4.4Å; F35-I162 HydrophobicContact CZ-CD1 4.18Å; F35-I162 HydrophobicContact CZ-CG1 4.48Å
36P93.6Very high91.6Very high35 Ų3539.5 Ų39.523%0.22723%0.23CC..PPolyproline II helixtrans-76.8169.318032.3-35.8000112.1L29 D34 L38 L180L29-P36 HydrophobicContact CD1-CG 4.06Å; D34-P36 WeakPolarHBondContact O-CD 2.82Å; P36-L38 HydrophobicContact CG-CD2 4.3Å; P36-L180 HydrophobicContact CG-CB 4.11Å; P36-L180 HydrophobicContact CG-CD1 4.02Å
37H95.2Very high91.6Very high5 Ų539.8 Ų39.82%0.02324%0.236CC..PPolyproline II helixtrans-64.2139.2164.7-61.7-32.8000110.7M152 M156 L161 C179 L180H37-M152 WeakPolarHBondContact CD2-CG 3.21Å; H37-M152 PolarHBondContact CD2-SD 2.89Å; H37-M152 WeakPolarHBondContact NE2-CG 3.39Å; H37-M156 PolarHBondContact CE1-SD 3.37Å; H37-M156 PolarHBondContact NE2-SD 3.39Å; H37-L161 CarbonylContact C-O 3.5Å; H37-L161 WeakPolarHBondContact CA-O 3.35Å; H37-L161 PolarHBondContact ND1-N 3.48Å; H37-C179 HydrophobicContact CB-CB 4.34Å; H37-C179 CarbonylContact O-C 3.56Å; H37-C179 VanDerWaalsContact O-CA 3.3Å; H37-C179 WeakPolarHBondContact O-CA 3.48Å; H37-L180 PolarHBondContact O-N 3.47Å
38L96.8Very high91.6Very high0 Ų036.7 Ų36.70%022%0.224CC..EExtended strand (participates in β ladder)trans-109.6140.1-179.8-61.1-171.8000111.4L29 F35 P36 V40 I55 L161 I162 L163 L180 V182L29-L38 HydrophobicContact CD2-CD2 3.89Å; F35-L38 HydrophobicContact CE1-CD1 4.43Å; F35-L38 HydrophobicContact CE1-CG 4.29Å; F35-L38 HydrophobicContact CE2-CD1 3.92Å; F35-L38 HydrophobicContact CE2-CG 4.32Å; F35-L38 HydrophobicContact CZ-CD1 3.46Å; F35-L38 VanDerWaalsContact CZ-CD1 3.46Å; F35-L38 HydrophobicContact CZ-CG 3.73Å; P36-L38 HydrophobicContact CG-CD2 4.3Å; L38-V40 HydrophobicContact CB-CG2 4.29Å; L38-I55 HydrophobicContact CD1-CD1 3.97Å; L38-L161 PolarHBondContact N-O 3.38Å; L38-I162 HydrophobicContact CB-CG1 4.23Å; L38-I162 HydrophobicContact CB-CG2 4.29Å; L38-I162 HydrophobicContact CD1-CD1 4.41Å; L38-I162 HydrophobicContact CD1-CG1 4.47Å; L38-I162 WeakPolarHBondContact O-CA 3.48Å; L38-L163 PolarHBondContact O-N 2.8Å; L38-L180 HydrophobicContact CD2-CB 3.9Å; L38-L180 HydrophobicContact CD2-CD2 4.09Å; L38-L180 HydrophobicContact CD2-CG 4.46Å; L38-V182 HydrophobicContact CD2-CG2 4.33Å
39L97.1Very high91.7Very high2 Ų236.6 Ų36.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-115.997.4165.8176.263.2000108.3L163 T168 R176 C179 L180 V182L39-L163 CarbonylContact C-O 3.52Å; L39-L163 HydrophobicContact CD1-CB 3.7Å; L39-L163 HydrophobicContact CD1-CD1 4.41Å; L39-T168 HydrophobicContact CD2-CG2 4.14Å; L39-R176 HydrophobicContact CD2-CG 4.01Å; L39-C179 HydrophobicContact CB-CB 3.72Å; L39-L180 PolarHBondContact N-O 3.36Å; L39-V182 PolarHBondContact O-N 3.01Å
40V97.1Very high91.8Very high2 Ų236.1 Ų36.11%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-92.9118.7-179.8-172.80000109.4L38 K48 I52 I162 L163 C164 C165 V182 V184L38-V40 HydrophobicContact CB-CG2 4.29Å; V40-K48 HydrophobicContact CG1-CB 4.09Å; V40-K48 HydrophobicContact CG1-CG 4.27Å; V40-I52 HydrophobicContact CB-CD1 4.17Å; V40-I52 HydrophobicContact CB-CG1 4.42Å; V40-I52 HydrophobicContact CG1-CD1 4.4Å; V40-I52 HydrophobicContact CG1-CG1 4.45Å; V40-I52 HydrophobicContact CG2-CD1 4.22Å; V40-I52 HydrophobicContact CG2-CG1 4.03Å; V40-I162 HydrophobicContact CG2-CG2 4.1Å; V40-L163 PolarHBondContact N-O 3.24Å; V40-C164 WeakPolarHBondContact O-CA 3.47Å; V40-C165 PolarHBondContact O-N 3.14Å; V40-C165 VanDerWaalsContact O-N 3.09Å; V40-V182 WeakPolarHBondContact CA-O 3.4Å; V40-V182 HydrophobicContact CG2-CB 4.23Å; V40-V184 HydrophobicContact CG1-CG2 3.75Å
41Y96.6Very high92.1Very high57 Ų5736 Ų3622%0.22422%0.217CC..EExtended strand (participates in β ladder)trans-139160.6-175.371.9-81.6000113.5C165 T168 A181 V182 R183 V184Y41-C165 VanDerWaalsContact CA-O 3.31Å; Y41-C165 WeakPolarHBondContact CA-O 3.44Å; Y41-C165 VanDerWaalsContact CB-SG 3.59Å; Y41-T168 HydrophobicContact CD1-CG2 3.69Å; Y41-T168 HydrophobicContact CD2-CG2 3.58Å; Y41-T168 HydrophobicContact CE1-CG2 4.1Å; Y41-T168 HydrophobicContact CE2-CG2 3.97Å; Y41-T168 HydrophobicContact CG-CG2 3.4Å; Y41-A181 HydrophobicContact CE1-CB 4.07Å; Y41-V182 WeakPolarHBondContact CD1-O 3.46Å; Y41-V182 PolarHBondContact N-O 3.33Å; Y41-R183 HydrophobicContact CD2-CG 4.44Å; Y41-R183 HydrophobicContact CE1-CB 3.9Å; Y41-R183 HydrophobicContact CE2-CB 4Å; Y41-R183 HydrophobicContact CE2-CG 3.79Å; Y41-V184 PolarHBondContact O-N 3.44Å
42G94.9Very high92.4Very high7 Ų729.8 Ų29.87%0.07219%0.188CC..  trans148.2175.6-175.900000112.8K48 N166 V184G42-K48 PolarHBondContact O-NZ 2.88Å; G42-N166 CarbonylContact C-O 3.47Å; G42-N166 PolarHBondContact N-O 3.43Å; G42-N166 VanDerWaalsContact O-CA 3.27Å; G42-N166 WeakPolarHBondContact O-CA 3.46Å; G42-N166 VanDerWaalsContact O-O 3.12Å; G42-V184 WeakPolarHBondContact CA-O 3.47Å
43P94.1Very high93Very high62 Ų6228.2 Ų28.240%0.40317%0.174SC..  trans-61.6158.2-17822-29.2000113.1A46 K48 A186P43-A46 HydrophobicContact CG-CB 4.09Å; P43-A46 WeakPolarHBondContact O-CB 3.24Å; P43-A46 PolarHBondContact O-N 3.45Å; P43-K48 PolarHBondContact O-NZ 3.07Å; P43-A186 HydrophobicContact CG-CB 3.68Å
44S91.9Very high93.9Very high62 Ų6225.4 Ų25.443%0.43415%0.145SC..THydrogen-bonded Turntrans-64.2144.8174.1-169.60000110.1A46S44-A46 PolarHBondContact O-N 3.42Å
45G91.6Very high94.4Very high11 Ų1120.4 Ų20.411%0.11312%0.118CC..THydrogen-bonded Turntrans76-3.1-179.800000116.2G47 N222 L223G45-G47 PolarHBondContact O-N 3.39Å; G45-N222 WeakPolarHBondContact CA-OD1 3.37Å; G45-L223 WeakPolarHBondContact O-CB 3.29Å; G45-L223 PolarHBondContact O-N 3.02Å
46A93.4Very high94.4Very high0 Ų020.3 Ų20.30%012%0.118CC..SBendtrans-74.1317400000114.3Y18 P43 S44 R51 V184Y18-A46 PolarHBondContact OH-O 2.92Å; P43-A46 HydrophobicContact CG-CB 4.09Å; P43-A46 WeakPolarHBondContact O-CB 3.24Å; P43-A46 PolarHBondContact O-N 3.45Å; S44-A46 PolarHBondContact O-N 3.42Å; A46-R51 PolarHBondContact O-NH1 3.02Å; A46-V184 HydrophobicContact CB-CG1 4.3Å; A46-V184 WeakPolarHBondContact O-CG1 2.94Å
47G93.3Very high94.4Very high15 Ų1521.7 Ų21.716%0.15512%0.118CC..  trans78.329.8176.700000115.8G45 T50 R51G45-G47 PolarHBondContact O-N 3.39Å; G47-T50 WeakPolarHBondContact O-CB 3.4Å; G47-T50 PolarHBondContact O-N 3.06Å; G47-T50 VanDerWaalsContact O-N 3.13Å; G47-R51 VanDerWaalsContact CA-NH1 3.29Å; G47-R51 WeakPolarHBondContact O-CD 3.49Å; G47-R51 PolarHBondContact O-N 2.89Å; G47-R51 VanDerWaalsContact O-N 3.15Å; G47-R51 PolarHBondContact O-NH1 3.5Å; G47-R51 VanDerWaalsContact O-NH1 3.14Å
48K94.6Very high94.2Very high15 Ų1525 Ų257%0.06513%0.133CC..Hα-helixtrans-51.3-54.1172.4-62.1-172.5-64.3-85.90112.7V40 G42 P43 T50 R51 I52 C165 N166 V184V40-K48 HydrophobicContact CG1-CB 4.09Å; V40-K48 HydrophobicContact CG1-CG 4.27Å; G42-K48 PolarHBondContact O-NZ 2.88Å; P43-K48 PolarHBondContact O-NZ 3.07Å; K48-T50 PolarHBondContact O-N 3.21Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.11Å; K48-I52 WeakPolarHBondContact O-CG1 3.47Å; K48-I52 PolarHBondContact O-N 3.06Å; K48-C165 WeakPolarHBondContact CD-O 3.34Å; K48-C165 WeakPolarHBondContact CE-O 3.47Å; K48-N166 PolarHBondContact NZ-OD1 3.47Å; K48-V184 HydrophobicContact CG-CB 4.07Å; K48-V184 HydrophobicContact CG-CG1 4.45Å; K48-V184 HydrophobicContact CG-CG2 4.34Å
49K93.6Very high93.8Very high82 Ų8225.2 Ų25.236%0.35714%0.135SC..Hα-helixtrans-58-35.9177.3-71.3-158.8177.4-162.60112R9 I52 M53 E94R9-K49 PolarHBondContact NH2-O 2.96Å; K49-I52 PolarHBondContact O-N 3.38Å; K49-M53 WeakPolarHBondContact O-CG 3.45Å; K49-M53 PolarHBondContact O-N 2.81Å; K49-E94 IonicContact NZ-OE1 3.83Å; K49-E94 PolarHBondContact NZ-OE1 3.09Å
50T94.6Very high93.4Very high22 Ų2225.7 Ų25.714%0.13514%0.136CC..Hα-helixtrans-61.9-45.2176.6-52.70000111.8R9 P10 G47 K48 M53 C54R9-T50 HydrophobicContact CG-CG2 3.71Å; R9-T50 PolarHBondContact NE-OG1 3.06Å; P10-T50 HydrophobicContact CG-CG2 3.61Å; P10-T50 WeakPolarHBondContact O-CG2 3.17Å; G47-T50 WeakPolarHBondContact O-CB 3.4Å; G47-T50 PolarHBondContact O-N 3.06Å; G47-T50 VanDerWaalsContact O-N 3.13Å; K48-T50 PolarHBondContact O-N 3.21Å; T50-M53 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-N 3.41Å; T50-C54 PolarHBondContact O-SG 3.44Å
51R95.1Very high93Very high6 Ų626.7 Ų26.72%0.02315%0.148CC..Hα-helixtrans-62.9-44.1175.7-79.873.1179.1177.24.5111.3L16 Y18 L26 A46 G47 K48 M53 C54 I55L16-R51 HydrophobicContact CD2-CG 3.87Å; L16-R51 VanDerWaalsContact CD2-NE 3.26Å; Y18-R51 VanDerWaalsContact CZ-NH1 3.35Å; Y18-R51 PolarHBondContact O-NH2 3.16Å; Y18-R51 PolarHBondContact OH-NH1 3.35Å; L26-R51 HydrophobicContact CD1-CG 4.37Å; A46-R51 PolarHBondContact O-NH1 3.02Å; G47-R51 VanDerWaalsContact CA-NH1 3.29Å; G47-R51 WeakPolarHBondContact O-CD 3.49Å; G47-R51 PolarHBondContact O-N 2.89Å; G47-R51 VanDerWaalsContact O-N 3.15Å; G47-R51 PolarHBondContact O-NH1 3.5Å; G47-R51 VanDerWaalsContact O-NH1 3.14Å; K48-R51 PolarHBondContact O-N 3.33Å; K48-R51 VanDerWaalsContact O-N 3.11Å; R51-M53 PolarHBondContact O-N 3.29Å; R51-C54 WeakPolarHBondContact O-CB 3.39Å; R51-C54 PolarHBondContact O-N 2.87Å; R51-I55 VanDerWaalsContact O-CG1 3.31Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 3.37Å
52I95.3Very high92.6Very high1 Ų128.5 Ų28.51%0.00516%0.164CC..Hα-helixtrans-59.6-46.7179-65.1169.3000110.8V40 K48 K49 C54 I55 L56 L133 I162 C164V40-I52 HydrophobicContact CB-CD1 4.17Å; V40-I52 HydrophobicContact CB-CG1 4.42Å; V40-I52 HydrophobicContact CG1-CD1 4.4Å; V40-I52 HydrophobicContact CG1-CG1 4.45Å; V40-I52 HydrophobicContact CG2-CD1 4.22Å; V40-I52 HydrophobicContact CG2-CG1 4.03Å; K48-I52 WeakPolarHBondContact O-CG1 3.47Å; K48-I52 PolarHBondContact O-N 3.06Å; K49-I52 PolarHBondContact O-N 3.38Å; I52-C54 VanDerWaalsContact C-N 3.33Å; I52-C54 PolarHBondContact O-N 3.22Å; I52-I55 WeakPolarHBondContact O-CB 3.31Å; I52-I55 PolarHBondContact O-N 2.89Å; I52-L56 HydrophobicContact CG2-CD1 4.15Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CB 3.21Å; I52-L56 WeakPolarHBondContact O-CG 3.22Å; I52-L56 PolarHBondContact O-N 3.25Å; I52-L133 HydrophobicContact CD1-CD1 3.87Å; I52-L133 HydrophobicContact CG2-CD1 4.05Å; I52-L133 HydrophobicContact CG2-CD2 3.88Å; I52-I162 HydrophobicContact CD1-CG2 3.85Å; I52-I162 HydrophobicContact CG1-CG2 3.91Å; I52-I162 HydrophobicContact CG2-CD1 4.17Å; I52-I162 HydrophobicContact CG2-CG2 4.06Å; I52-C164 HydrophobicContact CD1-CB 3.86Å
53M94.2Very high92.1Very high41 Ų4129 Ų2920%0.20217%0.17CC..Hα-helixtrans-64.8-36.5176.5-69.1-54.4-128.200112.6K49 T50 R51 L56 R57 L67K49-M53 WeakPolarHBondContact O-CG 3.45Å; K49-M53 PolarHBondContact O-N 2.81Å; T50-M53 PolarHBondContact O-N 3.38Å; R51-M53 PolarHBondContact O-N 3.29Å; M53-L56 PolarHBondContact O-N 3.32Å; M53-L56 HydrophobicContact SD-CD1 3.91Å; M53-R57 WeakPolarHBondContact O-CB 3.2Å; M53-R57 PolarHBondContact O-N 3.46Å; M53-L67 HydrophobicContact CE-CD1 4.13Å; M53-L67 HydrophobicContact CE-CD2 4.41Å
54C94Very high91.7Very high0 Ų026.2 Ų26.20%015%0.151CC..Hα-helixtrans-64.7-41.1173.9-660000112P10 L13 L16 T50 R51 I52 R57 E58P10-C54 PolarHBondContact O-SG 3.03Å; P10-C54 VanDerWaalsContact O-SG 3.37Å; L13-C54 HydrophobicContact CD2-CB 3.6Å; L13-C54 HydrophobicContact CG-CB 3.85Å; L16-C54 HydrophobicContact CD1-CB 4.44Å; T50-C54 PolarHBondContact O-N 3.41Å; T50-C54 PolarHBondContact O-SG 3.44Å; R51-C54 WeakPolarHBondContact O-CB 3.39Å; R51-C54 PolarHBondContact O-N 2.87Å; I52-C54 VanDerWaalsContact C-N 3.33Å; I52-C54 PolarHBondContact O-N 3.22Å; C54-R57 PolarHBondContact O-N 3.15Å; C54-E58 VanDerWaalsContact O-CG 3.23Å; C54-E58 WeakPolarHBondContact O-CG 3.41Å; C54-E58 PolarHBondContact O-N 3.31Å
55I93.8Very high91.4Very high2 Ų227.8 Ų27.81%0.0115%0.152CC..Hα-helixtrans-60.1-47.8174.2-71.5165.5000109.9L13 L26 V30 F35 L38 R51 I52 R57 E58 L59 I162L13-I55 HydrophobicContact CD1-CG1 4.48Å; L13-I55 HydrophobicContact CD2-CG1 4.43Å; L26-I55 HydrophobicContact CD1-CD1 4.16Å; L26-I55 HydrophobicContact CD2-CD1 3.97Å; L26-I55 HydrophobicContact CG-CD1 4.5Å; V30-I55 HydrophobicContact CG1-CG2 3.83Å; F35-I55 HydrophobicContact CE2-CG2 3.93Å; F35-I55 HydrophobicContact CZ-CG2 3.93Å; L38-I55 HydrophobicContact CD1-CD1 3.97Å; R51-I55 VanDerWaalsContact O-CG1 3.31Å; R51-I55 WeakPolarHBondContact O-CG1 3.44Å; R51-I55 PolarHBondContact O-N 3.37Å; I52-I55 WeakPolarHBondContact O-CB 3.31Å; I52-I55 PolarHBondContact O-N 2.89Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 2.96Å; I55-E58 PolarHBondContact O-N 3.44Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.41Å; I55-L59 WeakPolarHBondContact O-CB 3.2Å; I55-L59 WeakPolarHBondContact O-CG 3.41Å; I55-L59 PolarHBondContact O-N 3.37Å; I55-I162 HydrophobicContact CG2-CD1 4.49Å
56L92.7Very high91.2Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-61.7-39.3178.7-74.6177.3000112.5I52 M53 L59 Y60 V64 H92 V131 I162I52-L56 HydrophobicContact CG2-CD1 4.15Å; I52-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CB 3.21Å; I52-L56 WeakPolarHBondContact O-CG 3.22Å; I52-L56 PolarHBondContact O-N 3.25Å; M53-L56 PolarHBondContact O-N 3.32Å; M53-L56 HydrophobicContact SD-CD1 3.91Å; L56-L59 PolarHBondContact O-N 2.95Å; L56-Y60 HydrophobicContact CD2-CD2 4.21Å; L56-Y60 HydrophobicContact CD2-CE2 4.01Å; L56-Y60 PolarHBondContact O-N 3.07Å; L56-V64 HydrophobicContact CB-CG2 3.9Å; L56-H92 HydrophobicContact CD1-CB 4.42Å; L56-H92 HydrophobicContact CD2-CB 4.19Å; L56-V131 HydrophobicContact CD2-CB 3.79Å; L56-V131 HydrophobicContact CD2-CG1 3.79Å; L56-V131 HydrophobicContact CD2-CG2 3.99Å; L56-I162 HydrophobicContact CD2-CD1 4.5Å
57R92.3Very high91Very high64 Ų6438.6 Ų38.624%0.24220%0.199CC..Hα-helixtrans-68-35.9176.1-167.5-174.1174.6133.9-3.9112.4C11 M53 C54 I55 G61 V64 E65C11-R57 WeakPolarHBondContact O-CD 3.4Å; M53-R57 WeakPolarHBondContact O-CB 3.2Å; M53-R57 PolarHBondContact O-N 3.46Å; C54-R57 PolarHBondContact O-N 3.15Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 2.96Å; R57-G61 CarbonylContact O-C 3.46Å; R57-G61 WeakPolarHBondContact O-CA 3.42Å; R57-G61 PolarHBondContact O-N 3.33Å; R57-V64 HydrophobicContact CB-CG1 4.11Å; R57-E65 IonicContact CZ-OE1 2.7Å; R57-E65 IonicContact CZ-OE2 3.08Å; R57-E65 IonicContact NH1-OE1 3.52Å; R57-E65 PolarHBondContact NH1-OE1 2.9Å; R57-E65 IonicContact NH1-OE2 3.08Å; R57-E65 PolarHBondContact NH1-OE2 2.68Å; R57-E65 VanDerWaalsContact NH1-OE2 3.12Å
58E90.5Very high90.9Very high73 Ų7345.8 Ų45.834%0.34122%0.221SC..Hα-helixtrans-74.8-27.7175.8-63.4-91.7-17400111.7L13 R27 V30 C54 I55L13-E58 HydrophobicContact CB-CG 4.43Å; L13-E58 HydrophobicContact CD1-CG 4.02Å; L13-E58 HydrophobicContact CG-CG 4.1Å; L13-E58 PolarHBondContact N-OE1 3.12Å; R27-E58 IonicContact NE-OE1 3.89Å; R27-E58 IonicContact NH2-OE1 2.94Å; R27-E58 PolarHBondContact NH2-OE1 3.48Å; V30-E58 HydrophobicContact CG2-CB 4Å; C54-E58 VanDerWaalsContact O-CG 3.23Å; C54-E58 WeakPolarHBondContact O-CG 3.41Å; C54-E58 PolarHBondContact O-N 3.31Å; I55-E58 PolarHBondContact O-N 3.44Å
59L89.1Confident90.7Very high5 Ų550.8 Ų50.83%0.02625%0.248CC..Hα-helixtrans-77.3-46176.4-77.7170.7000113.8V30 F35 I55 L56V30-L59 HydrophobicContact CB-CD2 4Å; V30-L59 HydrophobicContact CB-CG 4.26Å; V30-L59 HydrophobicContact CG1-CD1 4.49Å; V30-L59 HydrophobicContact CG1-CD2 4.1Å; V30-L59 HydrophobicContact CG1-CG 3.98Å; F35-L59 HydrophobicContact CD1-CD1 4.43Å; F35-L59 HydrophobicContact CD2-CD1 4.17Å; F35-L59 HydrophobicContact CD2-CD2 4.22Å; F35-L59 HydrophobicContact CE1-CD1 4.21Å; F35-L59 HydrophobicContact CE2-CD1 3.94Å; F35-L59 HydrophobicContact CG-CD1 4.4Å; F35-L59 HydrophobicContact CG-CD2 4.46Å; F35-L59 HydrophobicContact CZ-CD1 3.95Å; I55-L59 HydrophobicContact CG2-CD1 3.8Å; I55-L59 HydrophobicContact CG2-CG 4.41Å; I55-L59 WeakPolarHBondContact O-CB 3.2Å; I55-L59 WeakPolarHBondContact O-CG 3.41Å; I55-L59 PolarHBondContact O-N 3.37Å; L56-L59 PolarHBondContact O-N 2.95Å
60Y88.6Confident90.5Very high12 Ų1250.7 Ų50.75%0.04725%0.248CC..Hα-helixtrans-117.8-0.7-170.1-59.2-68.9000114L56 Y91 R127 F129 V131L56-Y60 HydrophobicContact CD2-CD2 4.21Å; L56-Y60 HydrophobicContact CD2-CE2 4.01Å; L56-Y60 PolarHBondContact O-N 3.07Å; Y60-Y91 AromaticContact CD1-CD1 3.96Å; Y60-Y91 HydrophobicContact CD1-CD1 3.96Å; Y60-Y91 AromaticContact CD1-CG 3.96Å; Y60-Y91 HydrophobicContact CD1-CG 3.96Å; Y60-Y91 HydrophobicContact CG-CD1 4.31Å; Y60-Y91 HydrophobicContact CG-CD2 4.43Å; Y60-Y91 AromaticContact CG-CG 3.86Å; Y60-Y91 HydrophobicContact CG-CG 3.86Å; Y60-R127 HydrophobicContact CE1-CB 4.06Å; Y60-F129 WeakPolarHBondContact CE1-O 3.49Å; Y60-F129 VanDerWaalsContact OH-CD2 3.3Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.34Å; Y60-F129 VanDerWaalsContact OH-CE2 3.32Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.41Å; Y60-F129 PolarHBondContact OH-O 2.96Å; Y60-V131 HydrophobicContact CE2-CB 4.29Å; Y60-V131 HydrophobicContact CE2-CG2 3.84Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.38Å; Y60-V131 PolarHBondContact OH-N 3.32Å
61G88.5Confident90.2Very high24 Ų2455.1 Ų55.125%0.24727%0.268CS..  trans77.2-164.2-176.200000114R57 G63 V64R57-G61 CarbonylContact O-C 3.46Å; R57-G61 WeakPolarHBondContact O-CA 3.42Å; R57-G61 PolarHBondContact O-N 3.33Å; G61-G63 VanDerWaalsContact C-N 3.26Å; G61-G63 PolarHBondContact O-N 3Å; G61-V64 WeakPolarHBondContact O-CG1 3.49Å
62V87.8Confident89.6Confident95 Ų9556.8 Ų56.858%0.57628%0.276SS*.G310 helixtrans-71.1-17.5-173.3-58.70000114.1V64 E65V62-V64 PolarHBondContact O-N 3.21Å; V62-V64 VanDerWaalsContact O-N 3.13Å; V62-E65 PolarHBondContact O-N 3.26Å
63G84.7Confident89.2Confident18 Ų1860.9 Ų60.919%0.18630%0.301CS..G310 helixtrans-63.1-18.9179.800000113.5G61 E65 K66G61-G63 VanDerWaalsContact C-N 3.26Å; G61-G63 PolarHBondContact O-N 3Å; G63-E65 PolarHBondContact O-N 3.35Å; G63-K66 PolarHBondContact O-N 3.39Å
64V87.2Confident88.6Confident3 Ų359.5 Ų59.52%0.01829%0.294CS..G310 helixtrans-66.8-20.9179.383.70000114L56 R57 G61 V62 K66 S89 H92L56-V64 HydrophobicContact CB-CG2 3.9Å; R57-V64 HydrophobicContact CB-CG1 4.11Å; G61-V64 WeakPolarHBondContact O-CG1 3.49Å; V62-V64 PolarHBondContact O-N 3.21Å; V62-V64 VanDerWaalsContact O-N 3.13Å; V64-K66 VanDerWaalsContact C-N 3.28Å; V64-S89 PolarHBondContact O-OG 2.89Å; V64-H92 VanDerWaalsContact CG2-CE1 3.45Å; V64-H92 WeakPolarHBondContact CG2-CE1 3.43Å; V64-H92 WeakPolarHBondContact CG2-ND1 3.37Å; V64-H92 PolarHBondContact O-CE1 3.35Å
65E85.4Confident88Confident94 Ų9463.3 Ų63.344%0.43932%0.317SS..G310 helixtrans-80.4-12.8-179.3-58.7-176.2151.500112.3R57 V62 G63 L67R57-E65 IonicContact CZ-OE1 2.7Å; R57-E65 IonicContact CZ-OE2 3.08Å; R57-E65 IonicContact NH1-OE1 3.52Å; R57-E65 PolarHBondContact NH1-OE1 2.9Å; R57-E65 IonicContact NH1-OE2 3.08Å; R57-E65 PolarHBondContact NH1-OE2 2.68Å; R57-E65 VanDerWaalsContact NH1-OE2 3.12Å; V62-E65 PolarHBondContact O-N 3.26Å; G63-E65 PolarHBondContact O-N 3.35Å; E65-L67 PolarHBondContact O-N 3.45Å
66K87Confident87.4Confident159 Ų15963.7 Ų63.769%0.69132%0.32SS*.  trans-79.390.9172.3-62-177-177.9179.50108.5G63 V64 S89G63-K66 PolarHBondContact O-N 3.39Å; V64-K66 VanDerWaalsContact C-N 3.28Å; K66-S89 PolarHBondContact O-OG 2.89Å; K66-S89 VanDerWaalsContact O-OG 3.12Å
67L88.6Confident86.7Confident79 Ų7968.9 Ų68.941%0.41435%0.354SS..  trans-96.7144.6-179.1-56.2170.1000110.4M53 E65 I87 A88M53-L67 HydrophobicContact CE-CD1 4.13Å; M53-L67 HydrophobicContact CE-CD2 4.41Å; E65-L67 PolarHBondContact O-N 3.45Å; L67-I87 HydrophobicContact CB-CG2 4.02Å; L67-I87 HydrophobicContact CD1-CG2 4.21Å; L67-I87 HydrophobicContact CD2-CG2 4Å; L67-I87 HydrophobicContact CG-CG2 4.29Å; L67-A88 CarbonylContact C-O 3.57Å; L67-A88 WeakPolarHBondContact CA-O 3.39Å
68R91.5Very high86.1Confident166 Ų16670.8 Ų70.863%0.62638%0.377SS*.EExtended strand (participates in β ladder)trans-126.6141.4172.2-63.2179.1-177.5169.70.8108.2A88R68-A88 PolarHBondContact N-O 3.39Å; R68-A88 PolarHBondContact O-N 3.37Å
69I90.9Very high85.7Confident120 Ų12076.1 Ų76.162%0.61540%0.399SS*.EExtended strand (participates in β ladder)trans-92.4120.6173.2-59.2174.3000106.9
70E88.6Confident85.5Confident80 Ų8082.9 Ų82.937%0.37443%0.428SS..EExtended strand (participates in β ladder)trans-112.9129.5176.8-68.1-177.6-178.100109.5T86 A88E70-T86 PolarHBondContact N-O 2.74Å; E70-T86 PolarHBondContact O-N 3.43Å; E70-T86 PolarHBondContact O-OG1 3.36Å; E70-A88 HydrophobicContact CG-CB 4.17Å
71H87.8Confident85.3Confident116 Ų11689.6 Ų89.654%0.53746%0.457SS..EExtended strand (participates in β ladder)trans-97.6113.7176.1-70.9-101000108.9E83H71-E83 WeakPolarHBondContact CB-OE1 3.44Å; H71-E83 IonicContact CE1-OE1 3.81Å; H71-E83 IonicContact CG-OE1 3.93Å; H71-E83 IonicContact ND1-OE1 3.89Å; H71-E83 PolarHBondContact ND1-OE1 3.36Å
72Q83Confident85.1Confident41 Ų4189.8 Ų89.819%0.19245%0.452CS..EExtended strand (participates in β ladder)trans-110126.6-179.7-58.8-166.822.600109.8I84 M111Q72-I84 HydrophobicContact CB-CG1 4.12Å; Q72-I84 PolarHBondContact N-O 3.45Å; Q72-I84 WeakPolarHBondContact O-CG1 3.41Å; Q72-I84 PolarHBondContact O-N 3.09Å; Q72-M111 HydrophobicContact CB-CE 4.2Å; Q72-M111 PolarHBondContact OE1-SD 2.87Å
73T86.3Confident85.1Confident86 Ų8691.1 Ų91.153%0.52845%0.452SS..EExtended strand (participates in β ladder)trans-96119.5176.1-600000109.8K81T73-K81 HydrophobicContact CG2-CB 3.91Å; T73-K81 HydrophobicContact CG2-CD 4.12Å; T73-K81 HydrophobicContact CG2-CG 4.16Å
74I81.8Confident85.2Confident13 Ų1390.5 Ų90.57%0.06745%0.445CS..EExtended strand (participates in β ladder)trans-110.5130.4-178.6-55.9171.7000108.5K81 I82 I84 V106 V107 M111I74-K81 WeakPolarHBondContact O-CA 3.5Å; I74-I82 PolarHBondContact N-O 3.14Å; I74-I82 PolarHBondContact O-N 3.26Å; I74-I84 HydrophobicContact CD1-CD1 3.51Å; I74-I84 HydrophobicContact CD1-CG1 3.76Å; I74-I84 HydrophobicContact CG1-CG1 4.41Å; I74-V106 HydrophobicContact CG2-CG1 3.84Å; I74-V107 HydrophobicContact CD1-CB 3.92Å; I74-V107 HydrophobicContact CD1-CG1 3.78Å; I74-V107 HydrophobicContact CD1-CG2 3.52Å; I74-M111 HydrophobicContact CD1-CE 3.6Å; I74-M111 HydrophobicContact CG1-CE 4.14Å
75T83Confident85.3Confident79 Ų7993.7 Ų93.749%0.48547%0.467SS..EExtended strand (participates in β ladder)trans-94.1121.1176.8-56.70000109.5
76T80.1Confident85.4Confident10 Ų1089.2 Ų89.26%0.06145%0.446CS..  trans-70.7160.5174.460.60000111.3S78 K79 K80 I82 S103T76-S78 PolarHBondContact O-N 2.96Å; T76-K79 PolarHBondContact O-N 3.44Å; T76-K80 WeakPolarHBondContact CB-O 3.23Å; T76-K80 WeakPolarHBondContact CG2-O 3.31Å; T76-K80 PolarHBondContact N-O 2.91Å; T76-K80 WeakPolarHBondContact OG1-CA 3.46Å; T76-K80 WeakPolarHBondContact OG1-CB 3.49Å; T76-K80 PolarHBondContact OG1-N 3.48Å; T76-K80 PolarHBondContact OG1-O 2.92Å; T76-I82 HydrophobicContact CG2-CD1 3.52Å; T76-I82 HydrophobicContact CG2-CG1 4.03Å; T76-S103 VanDerWaalsContact CG2-OG 3.26Å; T76-S103 WeakPolarHBondContact CG2-OG 3.28Å
77P78.3Confident85.7Confident110 Ų11084.4 Ų84.471%0.71443%0.428SS*.THydrogen-bonded Turntrans-56-24.6172.322.6-34.7000113K79P77-K79 VanDerWaalsContact C-N 3.28Å; P77-K79 PolarHBondContact O-N 3.35Å
78S79.7Confident85.7Confident104 Ų10481 Ų8173%0.72741%0.411SS*.THydrogen-bonded Turntrans-86.415.1176.6-48.30000114T76 K80T76-S78 PolarHBondContact O-N 2.96Å; S78-K80 PolarHBondContact O-N 2.89Å
79K81.8Confident85.6Confident185 Ų18574 Ų7480%0.80439%0.387SS*.SBendtrans60.15.9-175.9-62.4-179.8178.9177.10115.9T76 P77 K81T76-K79 PolarHBondContact O-N 3.44Å; P77-K79 VanDerWaalsContact C-N 3.28Å; P77-K79 PolarHBondContact O-N 3.35Å; K79-K81 PolarHBondContact O-N 3.08Å
80K84.3Confident85.3Confident147 Ų14772.4 Ų72.464%0.63938%0.38SS*.  trans-71.1128.3168.9-178.2-179.4179.4-178.80108.9T76 S78T76-K80 WeakPolarHBondContact CB-O 3.23Å; T76-K80 WeakPolarHBondContact CG2-O 3.31Å; T76-K80 PolarHBondContact N-O 2.91Å; T76-K80 WeakPolarHBondContact OG1-CA 3.46Å; T76-K80 WeakPolarHBondContact OG1-CB 3.49Å; T76-K80 PolarHBondContact OG1-N 3.48Å; T76-K80 PolarHBondContact OG1-O 2.92Å; S78-K80 PolarHBondContact O-N 2.89Å
81K85.5Confident85.3Confident152 Ų15270.2 Ų70.266%0.66137%0.368SS*.EExtended strand (participates in β ladder)trans-86.8130172.4-68.3-179.4177.9-177.50109.1T73 I74 K79T73-K81 HydrophobicContact CG2-CB 3.91Å; T73-K81 HydrophobicContact CG2-CD 4.12Å; T73-K81 HydrophobicContact CG2-CG 4.16Å; I74-K81 WeakPolarHBondContact O-CA 3.5Å; K79-K81 PolarHBondContact O-N 3.08Å
82I84.8Confident85.4Confident28 Ų2864.9 Ų64.914%0.14434%0.344CS..EExtended strand (participates in β ladder)trans-117.6128.6174.2-60.1174.3000106.7I74 T76 I84 A100I74-I82 PolarHBondContact N-O 3.14Å; I74-I82 PolarHBondContact O-N 3.26Å; T76-I82 HydrophobicContact CG2-CD1 3.52Å; T76-I82 HydrophobicContact CG2-CG1 4.03Å; I82-I84 HydrophobicContact CG2-CG2 4.24Å; I82-A100 HydrophobicContact CG2-CB 4.33Å
83E86.7Confident85.9Confident123 Ų12363.5 Ų63.558%0.57534%0.338SS*.EExtended strand (participates in β ladder)trans-94.9130.3173.4-166.2-178.2156.900108.8H71H71-E83 WeakPolarHBondContact CB-OE1 3.44Å; H71-E83 IonicContact CE1-OE1 3.81Å; H71-E83 IonicContact CG-OE1 3.93Å; H71-E83 IonicContact ND1-OE1 3.89Å; H71-E83 PolarHBondContact ND1-OE1 3.36Å
84I86.9Confident86.2Confident5 Ų560.4 Ų60.43%0.02632%0.317CS..EExtended strand (participates in β ladder)trans-119.9139.4173.758.3156.9000109.6Q72 I74 I82 T86 V95 A100 V107 M111Q72-I84 HydrophobicContact CB-CG1 4.12Å; Q72-I84 PolarHBondContact N-O 3.45Å; Q72-I84 WeakPolarHBondContact O-CG1 3.41Å; Q72-I84 PolarHBondContact O-N 3.09Å; I74-I84 HydrophobicContact CD1-CD1 3.51Å; I74-I84 HydrophobicContact CD1-CG1 3.76Å; I74-I84 HydrophobicContact CG1-CG1 4.41Å; I82-I84 HydrophobicContact CG2-CG2 4.24Å; I84-T86 HydrophobicContact CD1-CG2 3.83Å; I84-T86 HydrophobicContact CG1-CG2 4.39Å; I84-V95 HydrophobicContact CD1-CG2 4.16Å; I84-A100 HydrophobicContact CG2-CB 4.47Å; I84-V107 HydrophobicContact CD1-CG1 3.63Å; I84-M111 HydrophobicContact CD1-CE 3.85Å; I84-M111 HydrophobicContact CD1-CG 4.22Å; I84-M111 HydrophobicContact CD1-SD 3.72Å
85S88.3Confident86.7Confident70 Ų7060 Ų6049%0.4932%0.315SS..EExtended strand (participates in β ladder)trans-88.3128.4169.652.30000109.1
86T89Confident87.1Confident0 Ų057.6 Ų57.60%030%0.299CS..EExtended strand (participates in β ladder)trans-121.1139175.157.50000108.5E70 I84 V95 M111E70-T86 PolarHBondContact N-O 2.74Å; E70-T86 PolarHBondContact O-N 3.43Å; E70-T86 PolarHBondContact O-OG1 3.36Å; I84-T86 HydrophobicContact CD1-CG2 3.83Å; I84-T86 HydrophobicContact CG1-CG2 4.39Å; T86-V95 HydrophobicContact CG2-CB 4Å; T86-V95 HydrophobicContact CG2-CG2 3.82Å; T86-M111 HydrophobicContact CG2-SD 3.99Å
87I91.8Very high87.4Confident59 Ų5957.2 Ų57.230%0.30330%0.297SS..EExtended strand (participates in β ladder)trans-100.5106.8175.4-61.5171.3000106L67 E94L67-I87 HydrophobicContact CB-CG2 4.02Å; L67-I87 HydrophobicContact CD1-CG2 4.21Å; L67-I87 HydrophobicContact CD2-CG2 4Å; L67-I87 HydrophobicContact CG-CG2 4.29Å; I87-E94 HydrophobicContact CB-CB 4.18Å; I87-E94 PolarHBondContact N-O 2.9Å; I87-E94 PolarHBondContact O-N 2.9Å
88A89.8Confident87.7Confident8 Ų853 Ų537%0.06627%0.27CS..EExtended strand (participates in β ladder)trans-105143.9-177.600000111L67 R68 E70L67-A88 CarbonylContact C-O 3.57Å; L67-A88 WeakPolarHBondContact CA-O 3.39Å; R68-A88 PolarHBondContact N-O 3.39Å; R68-A88 PolarHBondContact O-N 3.37Å; E70-A88 HydrophobicContact CG-CB 4.17Å
89S89.3Confident87.9Confident17 Ų1752.9 Ų52.912%0.11926%0.261CS..  trans-122.1172.6162.5-171.10000108.2V64 K66 Y91 H92V64-S89 PolarHBondContact O-OG 2.89Å; K66-S89 PolarHBondContact O-OG 2.89Å; K66-S89 VanDerWaalsContact O-OG 3.12Å; S89-Y91 PolarHBondContact O-N 3.48Å; S89-Y91 VanDerWaalsContact O-N 3.12Å; S89-H92 VanDerWaalsContact CB-CE1 3.41Å; S89-H92 WeakPolarHBondContact CB-CE1 3.32Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.2Å; S89-H92 PolarHBondContact N-O 3.47Å
90N85Confident88Confident87 Ų8744.4 Ų44.447%0.46523%0.226SC..SBendtrans-58.8-27.3175.9-65.1-14.1000112.4
91Y87.8Confident87.9Confident35 Ų3539.2 Ų39.214%0.13721%0.214CC..SBendtrans-111.6-22.9-172-49.6-69000114.9Y60 S89 S125 K130 V131Y60-Y91 AromaticContact CD1-CD1 3.96Å; Y60-Y91 HydrophobicContact CD1-CD1 3.96Å; Y60-Y91 AromaticContact CD1-CG 3.96Å; Y60-Y91 HydrophobicContact CD1-CG 3.96Å; Y60-Y91 HydrophobicContact CG-CD1 4.31Å; Y60-Y91 HydrophobicContact CG-CD2 4.43Å; Y60-Y91 AromaticContact CG-CG 3.86Å; Y60-Y91 HydrophobicContact CG-CG 3.86Å; S89-Y91 PolarHBondContact O-N 3.48Å; S89-Y91 VanDerWaalsContact O-N 3.12Å; Y91-S125 WeakPolarHBondContact CE1-OG 3.27Å; Y91-K130 WeakPolarHBondContact O-CA 3.38Å; Y91-V131 PolarHBondContact O-N 2.71Å; Y91-V131 VanDerWaalsContact O-N 3.15Å
92H90.9Very high87.9Confident4 Ų439.3 Ų39.32%0.01922%0.222CC..EExtended strand (participates in β ladder)trans-143.2158.6-176.977.9-78.6000112.5L56 V64 S89 V131L56-H92 HydrophobicContact CD1-CB 4.42Å; L56-H92 HydrophobicContact CD2-CB 4.19Å; V64-H92 VanDerWaalsContact CG2-CE1 3.45Å; V64-H92 WeakPolarHBondContact CG2-CE1 3.43Å; V64-H92 WeakPolarHBondContact CG2-ND1 3.37Å; V64-H92 PolarHBondContact O-CE1 3.35Å; S89-H92 VanDerWaalsContact CB-CE1 3.41Å; S89-H92 WeakPolarHBondContact CB-CE1 3.32Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.2Å; S89-H92 PolarHBondContact N-O 3.47Å; H92-V131 CarbonylContact C-O 3.5Å; H92-V131 WeakPolarHBondContact CA-O 3.33Å; H92-V131 HydrophobicContact CB-CB 4.04Å; H92-V131 VanDerWaalsContact CB-O 3.28Å; H92-V131 WeakPolarHBondContact CB-O 3.36Å
93L92.3Very high88Confident12 Ų1239.3 Ų39.36%0.06323%0.225CC..EExtended strand (participates in β ladder)trans-127.7122174.7-178.4145000109.2V95 V115 V131 V132 L133L93-V95 HydrophobicContact CD2-CB 3.82Å; L93-V95 HydrophobicContact CD2-CG1 3.68Å; L93-V115 HydrophobicContact CB-CG2 4.09Å; L93-V115 HydrophobicContact CD1-CG2 3.84Å; L93-V115 HydrophobicContact CG-CG2 4.4Å; L93-V131 PolarHBondContact N-O 2.61Å; L93-V132 HydrophobicContact CD2-CG1 4.36Å; L93-V132 CarbonylContact O-C 3.58Å; L93-V132 WeakPolarHBondContact O-CA 3.46Å; L93-L133 PolarHBondContact O-N 2.66Å
94E93.9Very high88.1Confident21 Ų2133.6 Ų33.610%0.09820%0.198CC..EExtended strand (participates in β ladder)trans-97.9125.6170.3174.8176.5-176.300109.4K49 I87 L133 T135K49-E94 IonicContact NZ-OE1 3.83Å; K49-E94 PolarHBondContact NZ-OE1 3.09Å; I87-E94 HydrophobicContact CB-CB 4.18Å; I87-E94 PolarHBondContact N-O 2.9Å; I87-E94 PolarHBondContact O-N 2.9Å; E94-L133 WeakPolarHBondContact CA-O 3Å; E94-L133 HydrophobicContact CB-CB 4.22Å; E94-L133 HydrophobicContact CB-CD2 4.08Å; E94-L133 HydrophobicContact CB-CG 4.31Å; E94-L133 HydrophobicContact CG-CD2 3.89Å; E94-L133 HydrophobicContact CG-CG 4.12Å; E94-T135 HydrophobicContact CG-CG2 4.29Å
95V92Very high88.2Confident3 Ų337.9 Ų37.92%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-139.1142.6177.757.90000110.5I84 T86 L93 P97 M111 L133 L134 T135I84-V95 HydrophobicContact CD1-CG2 4.16Å; T86-V95 HydrophobicContact CG2-CB 4Å; T86-V95 HydrophobicContact CG2-CG2 3.82Å; L93-V95 HydrophobicContact CD2-CB 3.82Å; L93-V95 HydrophobicContact CD2-CG1 3.68Å; V95-P97 WeakPolarHBondContact O-CD 3.39Å; V95-M111 HydrophobicContact CG2-CG 4.43Å; V95-L133 PolarHBondContact N-O 2.71Å; V95-L134 HydrophobicContact CG1-CD2 3.27Å; V95-T135 PolarHBondContact O-N 3.27Å; V95-T135 VanDerWaalsContact O-N 3.15Å
96N92Very high88.3Confident30 Ų3035.9 Ų35.916%0.1620%0.199CC..  trans-104.589.1170.4-165.828.7000110.4S98 D99 T135N96-S98 PolarHBondContact ND2-OG 3.03Å; N96-S98 PolarHBondContact O-N 3.4Å; N96-S98 PolarHBondContact OD1-OG 3.38Å; N96-D99 WeakPolarHBondContact CB-OD2 3.49Å; N96-D99 VanDerWaalsContact ND2-CG 3.33Å; N96-D99 PolarHBondContact ND2-OD1 2.98Å; N96-D99 PolarHBondContact ND2-OD2 2.86Å; N96-D99 PolarHBondContact O-N 3.15Å; N96-T135 WeakPolarHBondContact CB-OG1 3.46Å; N96-T135 PolarHBondContact OD1-O 2.8Å; N96-T135 PolarHBondContact OD1-OG1 3.43Å; N96-T135 VanDerWaalsContact OD1-OG1 3.14Å
97P86.4Confident88.3Confident1 Ų136 Ų361%0.00620%0.199CC..G310 helixtrans-67.9-15.5-174.727.8-36.2000113.8V95 D99 A100 D104 V107 I108 L140V95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-D99 PolarHBondContact O-N 3.25Å; P97-A100 PolarHBondContact O-N 3.22Å; P97-D104 WeakPolarHBondContact O-CB 3.42Å; P97-V107 HydrophobicContact CB-CG1 4.38Å; P97-I108 HydrophobicContact CB-CD1 4.38Å; P97-I108 HydrophobicContact CB-CG1 3.89Å; P97-I108 HydrophobicContact CG-CG1 4.35Å; P97-L140 HydrophobicContact CB-CD2 3.9Å; P97-L140 HydrophobicContact CG-CD1 4.23Å; P97-L140 HydrophobicContact CG-CD2 3.7Å; P97-L140 HydrophobicContact CG-CG 4.28Å
98S83.9Confident88.2Confident22 Ų2233.3 Ų33.315%0.15419%0.185CC..G310 helixtrans-66.6-22.4178.158.50000113.7N96 A100 G101N96-S98 PolarHBondContact ND2-OG 3.03Å; N96-S98 PolarHBondContact O-N 3.4Å; N96-S98 PolarHBondContact OD1-OG 3.38Å; S98-A100 PolarHBondContact O-N 3.31Å; S98-G101 PolarHBondContact O-N 3.04Å
99D84.4Confident88.2Confident101 Ų10135.9 Ų35.954%0.5420%0.196SC..G310 helixtrans-68.1-19.5-177.6-61.8-17000111.8N96 P97 G101N96-D99 WeakPolarHBondContact CB-OD2 3.49Å; N96-D99 VanDerWaalsContact ND2-CG 3.33Å; N96-D99 PolarHBondContact ND2-OD1 2.98Å; N96-D99 PolarHBondContact ND2-OD2 2.86Å; N96-D99 PolarHBondContact O-N 3.15Å; P97-D99 PolarHBondContact O-N 3.25Å; D99-G101 PolarHBondContact O-N 3.48Å
100A82.3Confident88.1Confident8 Ų838.7 Ų38.77%0.06621%0.207CC..G310 helixtrans-80.31.1173.500000114.1I82 I84 P97 S98 N102 S103 V107I82-A100 HydrophobicContact CG2-CB 4.33Å; I84-A100 HydrophobicContact CG2-CB 4.47Å; P97-A100 PolarHBondContact O-N 3.22Å; S98-A100 PolarHBondContact O-N 3.31Å; A100-N102 PolarHBondContact O-N 2.87Å; A100-S103 PolarHBondContact O-N 3.41Å; A100-S103 VanDerWaalsContact O-N 3.07Å; A100-V107 HydrophobicContact CB-CG2 3.47Å; A100-V107 VanDerWaalsContact CB-CG2 3.47Å
101G83.6Confident88.3Confident38 Ų3834.8 Ų34.839%0.39219%0.186SC..G310 helixtrans54.1-127-17800000111.9S98 D99 S103 D104S98-G101 PolarHBondContact O-N 3.04Å; D99-G101 PolarHBondContact O-N 3.48Å; G101-S103 PolarHBondContact O-N 2.84Å; G101-S103 VanDerWaalsContact O-N 3.09Å; G101-D104 WeakPolarHBondContact O-CB 3.37Å; G101-D104 PolarHBondContact O-N 2.79Å
102N85Confident88.3Confident153 Ų15333.1 Ų33.182%0.81818%0.18SC*.G310 helixtrans-69.2-4.5-179.2-70.2-3.4000114.9A100A100-N102 PolarHBondContact O-N 2.87Å
103S86.1Confident88.2Confident29 Ų2936.4 Ų36.420%0.20319%0.194CC..G310 helixtrans-99.17177.5-60.30000113.3T76 A100 G101 R105 V106 V107T76-S103 VanDerWaalsContact CG2-OG 3.26Å; T76-S103 WeakPolarHBondContact CG2-OG 3.28Å; A100-S103 PolarHBondContact O-N 3.41Å; A100-S103 VanDerWaalsContact O-N 3.07Å; G101-S103 PolarHBondContact O-N 2.84Å; G101-S103 VanDerWaalsContact O-N 3.09Å; S103-R105 PolarHBondContact O-N 3.43Å; S103-R105 VanDerWaalsContact O-N 3.14Å; S103-V106 PolarHBondContact O-N 2.94Å; S103-V106 VanDerWaalsContact O-N 3.08Å; S103-V107 PolarHBondContact O-N 3.09Å
104D88.4Confident88Confident3 Ų338 Ų382%0.01621%0.205CC..Hα-helixtrans-49.5-35.3177.460.9-11.8000113.8P97 G101 V106 V107 I108 L140 T141 A144P97-D104 WeakPolarHBondContact O-CB 3.42Å; G101-D104 WeakPolarHBondContact O-CB 3.37Å; G101-D104 PolarHBondContact O-N 2.79Å; D104-V106 PolarHBondContact O-N 2.92Å; D104-V107 PolarHBondContact O-N 3.47Å; D104-I108 WeakPolarHBondContact O-CG1 3.5Å; D104-I108 PolarHBondContact O-N 2.79Å; D104-L140 HydrophobicContact CB-CD2 3.82Å; D104-L140 WeakPolarHBondContact OD2-CD2 3.44Å; D104-T141 VanDerWaalsContact CG-OG1 3.3Å; D104-T141 PolarHBondContact OD1-OG1 2.86Å; D104-T141 WeakPolarHBondContact OD2-CB 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.44Å; D104-T141 PolarHBondContact OD2-N 3.01Å; D104-T141 PolarHBondContact OD2-OG1 2.92Å; D104-A144 HydrophobicContact CB-CB 4.16Å; D104-A144 WeakPolarHBondContact OD1-CB 3.44Å; D104-A144 WeakPolarHBondContact OD2-CB 3.29Å
105R90.8Very high87.6Confident94 Ų9437.6 Ų37.636%0.35520%0.203SC..Hα-helixtrans-56.3-45.6176.4-170.6-172.969.574.7-5.3113.3S103 Q109 A144 A147S103-R105 PolarHBondContact O-N 3.43Å; S103-R105 VanDerWaalsContact O-N 3.14Å; R105-Q109 WeakPolarHBondContact O-CG 3.29Å; R105-Q109 PolarHBondContact O-N 2.88Å; R105-A144 HydrophobicContact CB-CB 4.22Å; R105-A147 HydrophobicContact CG-CB 3.67Å
106V89.4Confident87.3Confident29 Ų2938.5 Ų38.518%0.17621%0.211CC..Hα-helixtrans-71.7-38.8-177.8178.50000109.7I74 S103 D104 I108 Q109 E110I74-V106 HydrophobicContact CG2-CG1 3.84Å; S103-V106 PolarHBondContact O-N 2.94Å; S103-V106 VanDerWaalsContact O-N 3.08Å; D104-V106 PolarHBondContact O-N 2.92Å; V106-I108 PolarHBondContact O-N 3.49Å; V106-Q109 PolarHBondContact O-N 2.96Å; V106-E110 PolarHBondContact O-N 3.38Å
107V88.9Confident86.9Confident1 Ų143.2 Ų43.21%0.00623%0.232CC..Hα-helixtrans-57.5-51.6177.3178.60000111.4I74 I84 P97 A100 S103 D104 Q109 E110 M111I74-V107 HydrophobicContact CD1-CB 3.92Å; I74-V107 HydrophobicContact CD1-CG1 3.78Å; I74-V107 HydrophobicContact CD1-CG2 3.52Å; I84-V107 HydrophobicContact CD1-CG1 3.63Å; P97-V107 HydrophobicContact CB-CG1 4.38Å; A100-V107 HydrophobicContact CB-CG2 3.47Å; A100-V107 VanDerWaalsContact CB-CG2 3.47Å; S103-V107 PolarHBondContact O-N 3.09Å; D104-V107 PolarHBondContact O-N 3.47Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.23Å; V107-E110 PolarHBondContact O-N 3.46Å; V107-M111 HydrophobicContact CG1-CG 3.91Å; V107-M111 WeakPolarHBondContact O-CB 3.32Å; V107-M111 WeakPolarHBondContact O-CG 3.5Å; V107-M111 PolarHBondContact O-N 3.2Å
108I90.8Very high86.5Confident3 Ų345.4 Ų45.42%0.01525%0.248CC..Hα-helixtrans-58.6-43.1-179.8-69.4176.4000111.6P97 D104 V106 L112 L140 A144 L148P97-I108 HydrophobicContact CB-CD1 4.38Å; P97-I108 HydrophobicContact CB-CG1 3.89Å; P97-I108 HydrophobicContact CG-CG1 4.35Å; D104-I108 WeakPolarHBondContact O-CG1 3.5Å; D104-I108 PolarHBondContact O-N 2.79Å; V106-I108 PolarHBondContact O-N 3.49Å; I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 WeakPolarHBondContact O-CB 3.25Å; I108-L112 WeakPolarHBondContact O-CD1 3.21Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 2.95Å; I108-L112 VanDerWaalsContact O-N 3.16Å; I108-L140 HydrophobicContact CD1-CD1 3.64Å; I108-L140 HydrophobicContact CD1-CD2 3.9Å; I108-L140 HydrophobicContact CD1-CG 4.42Å; I108-A144 HydrophobicContact CD1-CB 3.94Å; I108-L148 HydrophobicContact CD1-CB 4.31Å; I108-L148 HydrophobicContact CG2-CB 3.96Å; I108-L148 HydrophobicContact CG2-CD1 3.72Å; I108-L148 HydrophobicContact CG2-CG 4.44Å
109Q88.5Confident85.3Confident63 Ų6351.4 Ų51.429%0.29427%0.273SS..Hα-helixtrans-65.5-45.9-178.5-72.5-178.8-27.100112R105 V106 V107 K113 A147R105-Q109 WeakPolarHBondContact O-CG 3.29Å; R105-Q109 PolarHBondContact O-N 2.88Å; V106-Q109 PolarHBondContact O-N 2.96Å; V107-Q109 VanDerWaalsContact C-N 3.29Å; V107-Q109 PolarHBondContact O-N 3.23Å; Q109-K113 VanDerWaalsContact O-CB 3.22Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 3.35Å; Q109-K113 VanDerWaalsContact O-N 3.13Å; Q109-A147 HydrophobicContact CG-CB 4.14Å
110E88.4Confident84.2Confident76 Ų7648.1 Ų48.136%0.35525%0.254SS..Hα-helixtrans-72.6-44.9-177.4-159.160.9-153.900111.3V106 V107 L112 K113 T114V106-E110 PolarHBondContact O-N 3.38Å; V107-E110 PolarHBondContact O-N 3.46Å; E110-L112 PolarHBondContact O-N 3.44Å; E110-K113 WeakPolarHBondContact O-CB 2.79Å; E110-K113 PolarHBondContact O-N 3.47Å; E110-K113 VanDerWaalsContact O-N 3.15Å; E110-K113 IonicContact OE1-NZ 3.72Å; E110-T114 WeakPolarHBondContact O-CG2 3.45Å; E110-T114 PolarHBondContact O-N 3.5Å; E110-T114 PolarHBondContact O-OG1 3.29Å
111M87.3Confident82.8Confident4 Ų455.5 Ų55.52%0.0229%0.292CS..Hα-helixtrans-59.2-45.1178.3-67.2-55.4104.300112.4Q72 I74 I84 T86 V95 V107 K113 T114 V115Q72-M111 HydrophobicContact CB-CE 4.2Å; Q72-M111 PolarHBondContact OE1-SD 2.87Å; I74-M111 HydrophobicContact CD1-CE 3.6Å; I74-M111 HydrophobicContact CG1-CE 4.14Å; I84-M111 HydrophobicContact CD1-CE 3.85Å; I84-M111 HydrophobicContact CD1-CG 4.22Å; I84-M111 HydrophobicContact CD1-SD 3.72Å; T86-M111 HydrophobicContact CG2-SD 3.99Å; V95-M111 HydrophobicContact CG2-CG 4.43Å; V107-M111 HydrophobicContact CG1-CG 3.91Å; V107-M111 WeakPolarHBondContact O-CB 3.32Å; V107-M111 WeakPolarHBondContact O-CG 3.5Å; V107-M111 PolarHBondContact O-N 3.2Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.95Å; M111-T114 PolarHBondContact O-N 3.37Å; M111-T114 PolarHBondContact O-OG1 3.05Å; M111-V115 VanDerWaalsContact O-CG2 3.28Å; M111-V115 WeakPolarHBondContact O-CG2 3.47Å; M111-V115 PolarHBondContact O-N 3Å
112L89.1Confident81.4Confident1 Ų160.4 Ų60.41%0.00531%0.305CS..Hα-helixtrans-69-33.9179.2-78.6163.5000111.6I108 E110 A116 V132 L148 T151 L161I108-L112 HydrophobicContact CG2-CD1 3.67Å; I108-L112 WeakPolarHBondContact O-CB 3.25Å; I108-L112 WeakPolarHBondContact O-CD1 3.21Å; I108-L112 WeakPolarHBondContact O-CG 3.46Å; I108-L112 PolarHBondContact O-N 2.95Å; I108-L112 VanDerWaalsContact O-N 3.16Å; E110-L112 PolarHBondContact O-N 3.44Å; L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 2.89Å; L112-V132 HydrophobicContact CD2-CB 4.13Å; L112-V132 HydrophobicContact CD2-CG1 4.13Å; L112-V132 HydrophobicContact CD2-CG2 3.98Å; L112-L148 HydrophobicContact CD1-CD1 3.74Å; L112-T151 HydrophobicContact CB-CG2 3.4Å; L112-T151 HydrophobicContact CD1-CG2 3.47Å; L112-T151 VanDerWaalsContact CD1-CG2 3.47Å; L112-T151 HydrophobicContact CG-CG2 4.01Å; L112-L161 HydrophobicContact CD1-CD2 4.32Å; L112-L161 HydrophobicContact CD2-CD1 4.02Å; L112-L161 HydrophobicContact CD2-CD2 4.12Å; L112-L161 HydrophobicContact CD2-CG 4.17Å
113K89.1Confident79.8Confident73 Ų7357.8 Ų57.832%0.31730%0.295SS..Hα-helixtrans-67.6-45175.8179.5-173.4167.6-155.90111.4Q109 E110 M111 A116 Q117Q109-K113 VanDerWaalsContact O-CB 3.22Å; Q109-K113 WeakPolarHBondContact O-CB 3.49Å; Q109-K113 PolarHBondContact O-N 3.35Å; Q109-K113 VanDerWaalsContact O-N 3.13Å; E110-K113 WeakPolarHBondContact O-CB 2.79Å; E110-K113 PolarHBondContact O-N 3.47Å; E110-K113 VanDerWaalsContact O-N 3.15Å; E110-K113 IonicContact OE1-NZ 3.72Å; M111-K113 VanDerWaalsContact C-N 3.31Å; M111-K113 PolarHBondContact O-N 2.95Å; K113-A116 PolarHBondContact O-N 3.35Å; K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 VanDerWaalsContact O-CG 3.27Å; K113-Q117 WeakPolarHBondContact O-CG 3.45Å; K113-Q117 PolarHBondContact O-N 3.34Å
114T87.4Confident78.4Confident46 Ų4664.5 Ų64.528%0.28233%0.328SS..Hα-helixtrans-63.2-43.4177.455.70000111.1E110 M111 Q117 S118E110-T114 WeakPolarHBondContact O-CG2 3.45Å; E110-T114 PolarHBondContact O-N 3.5Å; E110-T114 PolarHBondContact O-OG1 3.29Å; M111-T114 PolarHBondContact O-N 3.37Å; M111-T114 PolarHBondContact O-OG1 3.05Å; T114-Q117 PolarHBondContact O-N 3.02Å; T114-S118 WeakPolarHBondContact O-CB 3.45Å; T114-S118 PolarHBondContact O-N 2.95Å
115V86.7Confident76.9Confident11 Ų1165.7 Ų65.77%0.06734%0.336CS..Hα-helixtrans-63.6-44.1176.1175.80000111.3L93 M111 Q117 S118 K130 V132L93-V115 HydrophobicContact CB-CG2 4.09Å; L93-V115 HydrophobicContact CD1-CG2 3.84Å; L93-V115 HydrophobicContact CG-CG2 4.4Å; M111-V115 VanDerWaalsContact O-CG2 3.28Å; M111-V115 WeakPolarHBondContact O-CG2 3.47Å; M111-V115 PolarHBondContact O-N 3Å; V115-Q117 VanDerWaalsContact C-N 3.3Å; V115-Q117 PolarHBondContact O-N 3.39Å; V115-S118 PolarHBondContact O-N 3.27Å; V115-S118 PolarHBondContact O-OG 2.96Å; V115-K130 HydrophobicContact CG1-CB 3.97Å; V115-K130 HydrophobicContact CG1-CD 4.18Å; V115-V132 HydrophobicContact CB-CG2 4.06Å; V115-V132 HydrophobicContact CG1-CG2 3.69Å; V115-V132 HydrophobicContact CG2-CG2 4.04Å
116A84.8Confident75.6Confident22 Ų2268.6 Ų68.618%0.18235%0.354CS..Hα-helixtrans-65.6-30.4178.500000113.4L112 K113 Y155L112-A116 WeakPolarHBondContact O-CB 3.43Å; L112-A116 PolarHBondContact O-N 2.89Å; K113-A116 PolarHBondContact O-N 3.35Å; A116-Y155 HydrophobicContact CB-CD1 3.4Å; A116-Y155 HydrophobicContact CB-CD2 4.28Å; A116-Y155 HydrophobicContact CB-CE1 3.81Å; A116-Y155 HydrophobicContact CB-CG 3.66Å
117Q84Confident74.9Confident129 Ų12969.6 Ų69.660%0.60336%0.355SS*.Hα-helixtrans-82.8-22.7175.8-71.9178.4-20.300112.9K113 T114 V115 Q119K113-Q117 WeakPolarHBondContact O-CB 3.37Å; K113-Q117 VanDerWaalsContact O-CG 3.27Å; K113-Q117 WeakPolarHBondContact O-CG 3.45Å; K113-Q117 PolarHBondContact O-N 3.34Å; T114-Q117 PolarHBondContact O-N 3.02Å; V115-Q117 VanDerWaalsContact C-N 3.3Å; V115-Q117 PolarHBondContact O-N 3.39Å; Q117-Q119 PolarHBondContact O-N 2.89Å
118S78.4Confident74.6Confident48 Ų4876.1 Ų76.134%0.33639%0.389SS..  trans-70.990.1179.171.40000110.6T114 V115 Q120 K130T114-S118 WeakPolarHBondContact O-CB 3.45Å; T114-S118 PolarHBondContact O-N 2.95Å; V115-S118 PolarHBondContact O-N 3.27Å; V115-S118 PolarHBondContact O-OG 2.96Å; S118-Q120 PolarHBondContact O-N 3.36Å; S118-K130 PolarHBondContact O-NZ 3.41Å; S118-K130 VanDerWaalsContact O-NZ 3.12Å; S118-K130 PolarHBondContact OG-NZ 2.79Å
119Q57.8Low74.4Confident147 Ų14776.8 Ų76.869%0.68739%0.392SS*.  trans-61.6136.3176.5-159-127.7-500109.8Q117 L121Q117-Q119 PolarHBondContact O-N 2.89Å; Q119-L121 PolarHBondContact O-N 2.91Å
120Q60.3Low74.5Confident32 Ų3275.4 Ų75.415%0.1539%0.386CS..  trans-69.8114.6169.5-72.6178.6-14.800108.1S118 E122 R127 K130S118-Q120 PolarHBondContact O-N 3.36Å; Q120-E122 PolarHBondContact O-N 2.75Å; Q120-R127 PolarHBondContact OE1-O 3.03Å; Q120-K130 HydrophobicContact CG-CG 4.4Å
121L54.5Low74.6Confident164 Ų16471.8 Ų71.886%0.85937%0.369SS*.SBendtrans-67.2-14.2174.6-67.2163.2000112.1Q119Q119-L121 PolarHBondContact O-N 2.91Å
122E53.5Low75Confident141 Ų14171.6 Ų71.666%0.65937%0.368SS*.  trans-128.885.3-178.1-66.5-175.7178.600111.7Q120 N124 S125Q120-E122 PolarHBondContact O-N 2.75Å; E122-N124 PolarHBondContact O-N 3.21Å; E122-N124 VanDerWaalsContact O-N 3.15Å; E122-S125 PolarHBondContact O-N 2.94Å; E122-S125 PolarHBondContact O-OG 3.08Å; E122-S125 VanDerWaalsContact O-OG 3.09Å
123T52.2Low75.3Confident98 Ų9871.7 Ų71.760%0.60137%0.368SS*.THydrogen-bonded Turntrans-69.5-3.6179.3-30.60000113.8S125T123-S125 VanDerWaalsContact C-N 3.32Å
124N56.8Low75.6Confident170 Ų17068.4 Ų68.491%0.90935%0.354SS*.THydrogen-bonded Turntrans-84.2-3.7177.8-80.3-9.6000113.9E122 Q126E122-N124 PolarHBondContact O-N 3.21Å; E122-N124 VanDerWaalsContact O-N 3.15Å; N124-Q126 PolarHBondContact O-N 3.3Å
125S55.7Low75.9Confident27 Ų2766.7 Ų66.719%0.18934%0.343CS..SBendtrans-93.375178.158.30000112.3Y91 E122 T123 R127Y91-S125 WeakPolarHBondContact CE1-OG 3.27Å; E122-S125 PolarHBondContact O-N 2.94Å; E122-S125 PolarHBondContact O-OG 3.08Å; E122-S125 VanDerWaalsContact O-OG 3.09Å; T123-S125 VanDerWaalsContact C-N 3.32Å; S125-R127 VanDerWaalsContact C-N 3.31Å; S125-R127 PolarHBondContact O-N 3.35Å
126Q64.5Low76.1Confident155 Ų15569.1 Ų69.172%0.72435%0.354SS*.SBendtrans58.4-29.4153.6-123.6155.80.200121.5N124N124-Q126 PolarHBondContact O-N 3.3Å
127R74.1Confident76.5Confident51 Ų5168.1 Ų68.119%0.19235%0.345CS..  trans-148.3137.6-179.2-64-64.2-173.9159.59.9113.3V30 C32 G33 Y60 Q120 S125 F129V30-R127 PolarHBondContact O-NH2 3.23Å; C32-R127 PolarHBondContact O-NH2 3.44Å; C32-R127 VanDerWaalsContact O-NH2 3.13Å; G33-R127 PolarHBondContact O-NH1 3.36Å; Y60-R127 HydrophobicContact CE1-CB 4.06Å; Q120-R127 PolarHBondContact OE1-O 3.03Å; S125-R127 VanDerWaalsContact C-N 3.31Å; S125-R127 PolarHBondContact O-N 3.35Å; R127-F129 VanDerWaalsContact C-N 3.26Å; R127-F129 HydrophobicContact CB-CD1 4.46Å; R127-F129 HydrophobicContact CB-CE1 4.19Å; R127-F129 HydrophobicContact CB-CZ 4.5Å; R127-F129 HydrophobicContact CG-CE1 4.48Å; R127-F129 PolarHBondContact O-N 2.72Å
128D81.8Confident76.9Confident137 Ų13762.8 Ų62.873%0.73332%0.321SS*.SBendtrans-78.52.8-171.4-50-25.4000115.3
129F87.4Confident77.5Confident17 Ų1765.2 Ų65.28%0.07533%0.326CS..  trans-128.2154.6-176.364-96.4000111.8F35 Y60 R127 V131 T158 R160F35-F129 HydrophobicContact CB-CE1 4.13Å; F35-F129 HydrophobicContact CB-CE2 4.44Å; F35-F129 HydrophobicContact CB-CZ 3.6Å; F35-F129 HydrophobicContact CD1-CE2 4.04Å; F35-F129 HydrophobicContact CD1-CZ 4.02Å; F35-F129 HydrophobicContact CG-CZ 4.08Å; Y60-F129 WeakPolarHBondContact CE1-O 3.49Å; Y60-F129 VanDerWaalsContact OH-CD2 3.3Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.34Å; Y60-F129 VanDerWaalsContact OH-CE2 3.32Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.41Å; Y60-F129 PolarHBondContact OH-O 2.96Å; R127-F129 VanDerWaalsContact C-N 3.26Å; R127-F129 HydrophobicContact CB-CD1 4.46Å; R127-F129 HydrophobicContact CB-CE1 4.19Å; R127-F129 HydrophobicContact CB-CZ 4.5Å; R127-F129 HydrophobicContact CG-CE1 4.48Å; R127-F129 PolarHBondContact O-N 2.72Å; F129-V131 HydrophobicContact CD2-CG2 4.32Å; F129-V131 HydrophobicContact CE2-CG2 3.95Å; F129-T158 WeakPolarHBondContact CA-O 3.35Å; F129-R160 HydrophobicContact CB-CG 4.24Å; F129-R160 HydrophobicContact CD1-CG 4.14Å; F129-R160 HydrophobicContact CD2-CB 3.69Å; F129-R160 HydrophobicContact CD2-CG 3.24Å; F129-R160 HydrophobicContact CE1-CG 4.34Å; F129-R160 HydrophobicContact CE2-CB 3.84Å; F129-R160 HydrophobicContact CE2-CG 3.49Å; F129-R160 VanDerWaalsContact CE2-CG 3.49Å; F129-R160 HydrophobicContact CG-CB 4.49Å; F129-R160 HydrophobicContact CG-CG 3.61Å; F129-R160 HydrophobicContact CZ-CG 4.05Å
130K89.6Confident79.1Confident35 Ų3558.7 Ų58.715%0.15230%0.295CS..EExtended strand (participates in β ladder)trans-98.2150.9169.2-70.9-174178.9177.80111.6Y91 V115 S118 Q120 T158 C159 R160Y91-K130 WeakPolarHBondContact O-CA 3.38Å; V115-K130 HydrophobicContact CG1-CB 3.97Å; V115-K130 HydrophobicContact CG1-CD 4.18Å; S118-K130 PolarHBondContact O-NZ 3.41Å; S118-K130 VanDerWaalsContact O-NZ 3.12Å; S118-K130 PolarHBondContact OG-NZ 2.79Å; Q120-K130 HydrophobicContact CG-CG 4.4Å; K130-T158 PolarHBondContact N-O 3.33Å; K130-T158 VanDerWaalsContact N-O 3.12Å; K130-C159 CarbonylContact O-C 3.52Å; K130-C159 VanDerWaalsContact O-CA 3.28Å; K130-C159 WeakPolarHBondContact O-CA 3.31Å; K130-R160 PolarHBondContact O-N 3.45Å
131V92.4Very high80.7Confident0 Ų059.2 Ų59.20%030%0.301CS..EExtended strand (participates in β ladder)trans-97.6132.9174.9171.40000111.7L56 Y60 Y91 H92 L93 F129 R160 I162L56-V131 HydrophobicContact CD2-CB 3.79Å; L56-V131 HydrophobicContact CD2-CG1 3.79Å; L56-V131 HydrophobicContact CD2-CG2 3.99Å; Y60-V131 HydrophobicContact CE2-CB 4.29Å; Y60-V131 HydrophobicContact CE2-CG2 3.84Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.38Å; Y60-V131 PolarHBondContact OH-N 3.32Å; Y91-V131 PolarHBondContact O-N 2.71Å; Y91-V131 VanDerWaalsContact O-N 3.15Å; H92-V131 CarbonylContact C-O 3.5Å; H92-V131 WeakPolarHBondContact CA-O 3.33Å; H92-V131 HydrophobicContact CB-CB 4.04Å; H92-V131 VanDerWaalsContact CB-O 3.28Å; H92-V131 WeakPolarHBondContact CB-O 3.36Å; L93-V131 PolarHBondContact N-O 2.61Å; F129-V131 HydrophobicContact CD2-CG2 4.32Å; F129-V131 HydrophobicContact CE2-CG2 3.95Å; V131-R160 CarbonylContact C-O 3.59Å; V131-R160 VanDerWaalsContact CA-O 3.24Å; V131-R160 WeakPolarHBondContact CA-O 3.44Å; V131-R160 HydrophobicContact CG2-CB 4.37Å; V131-I162 HydrophobicContact CG1-CB 4.39Å; V131-I162 HydrophobicContact CG1-CD1 3.74Å; V131-I162 HydrophobicContact CG1-CG1 3.78Å
132V94.5Very high82.5Confident0 Ų056.3 Ų56.30%028%0.281CS..EExtended strand (participates in β ladder)trans-109.3114.8168.7-177.20000109.3L93 L112 V115 L134 R160 L161 I162L93-V132 HydrophobicContact CD2-CG1 4.36Å; L93-V132 CarbonylContact O-C 3.58Å; L93-V132 WeakPolarHBondContact O-CA 3.46Å; L112-V132 HydrophobicContact CD2-CB 4.13Å; L112-V132 HydrophobicContact CD2-CG1 4.13Å; L112-V132 HydrophobicContact CD2-CG2 3.98Å; V115-V132 HydrophobicContact CB-CG2 4.06Å; V115-V132 HydrophobicContact CG1-CG2 3.69Å; V115-V132 HydrophobicContact CG2-CG2 4.04Å; V132-L134 HydrophobicContact CG1-CD2 3.82Å; V132-L134 HydrophobicContact CG1-CG 4.33Å; V132-R160 PolarHBondContact N-O 3.09Å; V132-L161 HydrophobicContact CB-CG 4.48Å; V132-L161 WeakPolarHBondContact O-CA 3.27Å; V132-I162 PolarHBondContact O-N 3.07Å
133L96Very high84.4Confident3 Ų355 Ų552%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-93.7111.1176.1172.457.4000109.5I52 L93 E94 V95 T135 I162 C164I52-L133 HydrophobicContact CD1-CD1 3.87Å; I52-L133 HydrophobicContact CG2-CD1 4.05Å; I52-L133 HydrophobicContact CG2-CD2 3.88Å; L93-L133 PolarHBondContact O-N 2.66Å; E94-L133 WeakPolarHBondContact CA-O 3Å; E94-L133 HydrophobicContact CB-CB 4.22Å; E94-L133 HydrophobicContact CB-CD2 4.08Å; E94-L133 HydrophobicContact CB-CG 4.31Å; E94-L133 HydrophobicContact CG-CD2 3.89Å; E94-L133 HydrophobicContact CG-CG 4.12Å; V95-L133 PolarHBondContact N-O 2.71Å; L133-T135 HydrophobicContact CG-CG2 4.36Å; L133-I162 WeakPolarHBondContact CA-O 3.38Å; L133-I162 HydrophobicContact CD1-CB 4.18Å; L133-I162 HydrophobicContact CD1-CG2 3.93Å; L133-I162 WeakPolarHBondContact CD1-O 3.39Å; L133-C164 HydrophobicContact CD1-CB 4.18Å
134L94.8Very high86.3Confident3 Ų350.3 Ų50.32%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-98.8120.2172.1-56.1-175.3000109.1V95 V132 V137 L148 L161 I162 L163 C164V95-L134 HydrophobicContact CG1-CD2 3.27Å; V132-L134 HydrophobicContact CG1-CD2 3.82Å; V132-L134 HydrophobicContact CG1-CG 4.33Å; L134-V137 HydrophobicContact CB-CG2 3.72Å; L134-V137 WeakPolarHBondContact O-CG2 3.34Å; L134-L148 HydrophobicContact CD1-CD1 3.52Å; L134-L148 HydrophobicContact CD1-CD2 3.82Å; L134-L148 HydrophobicContact CD1-CG 4.34Å; L134-L161 HydrophobicContact CD1-CD2 4.37Å; L134-I162 PolarHBondContact N-O 3.18Å; L134-L163 HydrophobicContact CB-CD2 3.95Å; L134-L163 HydrophobicContact CD1-CD2 3.75Å; L134-L163 HydrophobicContact CG-CD2 4.07Å; L134-C164 PolarHBondContact O-N 3.15Å
135T94.1Very high88.1Confident10 Ų1042.3 Ų42.36%0.06121%0.207CC..EExtended strand (participates in β ladder)trans-92.8157.9173.959.30000111.7E94 V95 N96 L133 V137 C164E94-T135 HydrophobicContact CG-CG2 4.29Å; V95-T135 PolarHBondContact O-N 3.27Å; V95-T135 VanDerWaalsContact O-N 3.15Å; N96-T135 WeakPolarHBondContact CB-OG1 3.46Å; N96-T135 PolarHBondContact OD1-O 2.8Å; N96-T135 PolarHBondContact OD1-OG1 3.43Å; N96-T135 VanDerWaalsContact OD1-OG1 3.14Å; L133-T135 HydrophobicContact CG-CG2 4.36Å; T135-V137 PolarHBondContact O-N 2.94Å; T135-V137 VanDerWaalsContact O-N 3.16Å; T135-C164 CarbonylContact C-O 3.56Å
136E91.5Very high90Very high63 Ų6344.9 Ų44.929%0.29422%0.216SC..  trans51.638.6176.9-52-156.4144.300114.4D138 K139 C164E136-D138 PolarHBondContact O-N 3.46Å; E136-K139 HydrophobicContact CB-CD 4.33Å; E136-K139 WeakPolarHBondContact O-CB 3.17Å; E136-K139 PolarHBondContact O-N 3.24Å; E136-K139 IonicContact OE1-NZ 3.51Å; E136-K139 PolarHBondContact OE1-NZ 2.94Å; E136-K139 WeakPolarHBondContact OE2-CD 3.45Å; E136-K139 WeakPolarHBondContact OE2-CE 3.28Å; E136-K139 IonicContact OE2-NZ 3.12Å; E136-K139 PolarHBondContact OE2-NZ 3.17Å; E136-C164 PolarHBondContact N-O 3.27Å
137V93.3Very high91.3Very high0 Ų037.5 Ų37.50%018%0.182CC..G310 helixtrans-59.5-23.2-177.5-179.90000112.6L134 T135 K139 L140 L163 C164 C165L134-V137 HydrophobicContact CB-CG2 3.72Å; L134-V137 WeakPolarHBondContact O-CG2 3.34Å; T135-V137 PolarHBondContact O-N 2.94Å; T135-V137 VanDerWaalsContact O-N 3.16Å; V137-K139 VanDerWaalsContact C-N 3.25Å; V137-K139 PolarHBondContact O-N 3.2Å; V137-L140 HydrophobicContact CB-CD1 4.47Å; V137-L140 HydrophobicContact CG1-CD1 4.03Å; V137-L140 WeakPolarHBondContact O-CB 3.45Å; V137-L140 PolarHBondContact O-N 3.35Å; V137-L163 HydrophobicContact CG1-CD1 4.48Å; V137-L163 HydrophobicContact CG2-CB 4.01Å; V137-L163 HydrophobicContact CG2-CD2 4.14Å; V137-C164 PolarHBondContact N-O 3.09Å; V137-C165 HydrophobicContact CB-CB 4.37Å
138D91.3Very high92.3Very high18 Ų1835 Ų3510%0.09617%0.172CC..G310 helixtrans-70.3-16.5174.949.1-24.8000114.4E136 C165 N166 S167 K170E136-D138 PolarHBondContact O-N 3.46Å; D138-C165 HydrophobicContact CB-CB 3.88Å; D138-N166 PolarHBondContact OD2-N 2.88Å; D138-N166 VanDerWaalsContact OD2-N 3.14Å; D138-S167 WeakPolarHBondContact CB-O 3.46Å; D138-S167 PolarHBondContact OD2-N 3.47Å; D138-K170 HydrophobicContact CB-CB 4.37Å; D138-K170 WeakPolarHBondContact O-CB 3.48Å; D138-K170 WeakPolarHBondContact O-CD 3.41Å
139K91.1Very high92.8Very high99 Ų9932.2 Ų32.243%0.4315%0.151SC..G310 helixtrans-92.4-6.7174-64.1-175-175.6165.90113.7E136 V137E136-K139 HydrophobicContact CB-CD 4.33Å; E136-K139 WeakPolarHBondContact O-CB 3.17Å; E136-K139 PolarHBondContact O-N 3.24Å; E136-K139 IonicContact OE1-NZ 3.51Å; E136-K139 PolarHBondContact OE1-NZ 2.94Å; E136-K139 WeakPolarHBondContact OE2-CD 3.45Å; E136-K139 WeakPolarHBondContact OE2-CE 3.28Å; E136-K139 IonicContact OE2-NZ 3.12Å; E136-K139 PolarHBondContact OE2-NZ 3.17Å; V137-K139 VanDerWaalsContact C-N 3.25Å; V137-K139 PolarHBondContact O-N 3.2Å
140L92.4Very high93Very high9 Ų938.3 Ų38.35%0.04717%0.174CC..SBendtrans-65.7142.3178.1-75.6177000112.5P97 D104 I108 V137 A144 Q145 L148P97-L140 HydrophobicContact CB-CD2 3.9Å; P97-L140 HydrophobicContact CG-CD1 4.23Å; P97-L140 HydrophobicContact CG-CD2 3.7Å; P97-L140 HydrophobicContact CG-CG 4.28Å; D104-L140 HydrophobicContact CB-CD2 3.82Å; D104-L140 WeakPolarHBondContact OD2-CD2 3.44Å; I108-L140 HydrophobicContact CD1-CD1 3.64Å; I108-L140 HydrophobicContact CD1-CD2 3.9Å; I108-L140 HydrophobicContact CD1-CG 4.42Å; V137-L140 HydrophobicContact CB-CD1 4.47Å; V137-L140 HydrophobicContact CG1-CD1 4.03Å; V137-L140 WeakPolarHBondContact O-CB 3.45Å; V137-L140 PolarHBondContact O-N 3.35Å; L140-A144 HydrophobicContact CB-CB 4.49Å; L140-A144 HydrophobicContact CD2-CB 4.23Å; L140-Q145 HydrophobicContact CB-CG 3.89Å; L140-Q145 PolarHBondContact O-NE2 2.95Å; L140-L148 HydrophobicContact CD1-CD2 4.45Å
141T93Very high93.1Very high43 Ų4337.2 Ų37.226%0.26417%0.17SC..  trans-61.8154.1171.766.10000111D104 D143 A144 Q145D104-T141 VanDerWaalsContact CG-OG1 3.3Å; D104-T141 PolarHBondContact OD1-OG1 2.86Å; D104-T141 WeakPolarHBondContact OD2-CB 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.44Å; D104-T141 PolarHBondContact OD2-N 3.01Å; D104-T141 PolarHBondContact OD2-OG1 2.92Å; T141-D143 VanDerWaalsContact C-N 3.25Å; T141-D143 PolarHBondContact O-N 3.23Å; T141-A144 PolarHBondContact O-N 3.36Å; T141-A144 WeakPolarHBondContact OG1-CB 3.47Å; T141-A144 PolarHBondContact OG1-N 3.28Å; T141-Q145 WeakPolarHBondContact O-CG 3.31Å; T141-Q145 PolarHBondContact O-N 3.16Å
142K92.3Very high93Very high104 Ų10437.4 Ų37.445%0.45217%0.171SC..Hα-helixtrans-61.3-36.8178.8-66.6-60.2-172.7-177.10111.9Q145 H146 K170 I172K142-Q145 PolarHBondContact O-N 3.39Å; K142-H146 PolarHBondContact O-CD2 3.13Å; K142-H146 PolarHBondContact O-N 3.18Å; K142-K170 PolarHBondContact NZ-O 3.2Å; K142-I172 HydrophobicContact CD-CG2 3.6Å
143D92.9Very high92.8Very high113 Ų11341.8 Ų41.860%0.60419%0.192SC*.Hα-helixtrans-65.5-40.9176.8-63.5-32.3000112.2T141 H146 A147T141-D143 VanDerWaalsContact C-N 3.25Å; T141-D143 PolarHBondContact O-N 3.23Å; D143-H146 PolarHBondContact O-N 2.86Å; D143-A147 PolarHBondContact O-N 3.02Å
144A93.6Very high92.6Very high0 Ų048.7 Ų48.70%022%0.222CC..Hα-helixtrans-64.5-40.3173.500000111.9D104 R105 I108 L140 T141 H146 A147 L148D104-A144 HydrophobicContact CB-CB 4.16Å; D104-A144 WeakPolarHBondContact OD1-CB 3.44Å; D104-A144 WeakPolarHBondContact OD2-CB 3.29Å; R105-A144 HydrophobicContact CB-CB 4.22Å; I108-A144 HydrophobicContact CD1-CB 3.94Å; L140-A144 HydrophobicContact CB-CB 4.49Å; L140-A144 HydrophobicContact CD2-CB 4.23Å; T141-A144 PolarHBondContact O-N 3.36Å; T141-A144 WeakPolarHBondContact OG1-CB 3.47Å; T141-A144 PolarHBondContact OG1-N 3.28Å; A144-H146 PolarHBondContact O-N 3.41Å; A144-A147 PolarHBondContact O-N 3.36Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.48Å
145Q94.5Very high92.3Very high1 Ų150.6 Ų50.61%0.00523%0.229CC..Hα-helixtrans-63.4-39.7174.1-68.1-177.740.200112.2L140 T141 K142 L148 R149 K170 I172 I175L140-Q145 HydrophobicContact CB-CG 3.89Å; L140-Q145 PolarHBondContact O-NE2 2.95Å; T141-Q145 WeakPolarHBondContact O-CG 3.31Å; T141-Q145 PolarHBondContact O-N 3.16Å; K142-Q145 PolarHBondContact O-N 3.39Å; Q145-L148 WeakPolarHBondContact O-CB 3.4Å; Q145-L148 PolarHBondContact O-N 2.86Å; Q145-R149 PolarHBondContact O-N 2.74Å; Q145-K170 PolarHBondContact NE2-O 3.18Å; Q145-K170 PolarHBondContact OE1-O 3.32Å; Q145-I172 HydrophobicContact CB-CD1 3.9Å; Q145-I172 HydrophobicContact CB-CG1 4Å; Q145-I175 HydrophobicContact CB-CD1 3.78Å; Q145-I175 HydrophobicContact CG-CD1 4.17Å
146H94.1Very high92Very high81 Ų8153.5 Ų53.538%0.37524%0.243SC..Hα-helixtrans-67.8-35.2173.7-77-64.3000112.9K142 D143 A144 R150K142-H146 PolarHBondContact O-CD2 3.13Å; K142-H146 PolarHBondContact O-N 3.18Å; D143-H146 PolarHBondContact O-N 2.86Å; A144-H146 PolarHBondContact O-N 3.41Å; H146-R150 PolarHBondContact O-N 2.93Å; H146-R150 PolarHBondContact O-NE 3.44Å
147A93.1Very high91.8Very high0 Ų055.3 Ų55.30%026%0.262CS..Hα-helixtrans-65-46.5171.200000111.3R105 Q109 D143 A144 R149 R150 T151R105-A147 HydrophobicContact CG-CB 3.67Å; Q109-A147 HydrophobicContact CG-CB 4.14Å; D143-A147 PolarHBondContact O-N 3.02Å; A144-A147 PolarHBondContact O-N 3.36Å; A147-R149 VanDerWaalsContact C-N 3.34Å; A147-R149 PolarHBondContact O-N 3.1Å; A147-R150 PolarHBondContact O-N 3.3Å; A147-R150 VanDerWaalsContact O-N 3.16Å; A147-T151 PolarHBondContact O-N 2.84Å; A147-T151 PolarHBondContact O-OG1 3.21Å
148L93.8Very high91.5Very high0 Ų058 Ų580%028%0.279CS..Hα-helixtrans-54.4-48.5176.3-179.758.5000111.6I108 L112 L134 L140 A144 Q145 R150 T151 M152 L161 L163 I175I108-L148 HydrophobicContact CD1-CB 4.31Å; I108-L148 HydrophobicContact CG2-CB 3.96Å; I108-L148 HydrophobicContact CG2-CD1 3.72Å; I108-L148 HydrophobicContact CG2-CG 4.44Å; L112-L148 HydrophobicContact CD1-CD1 3.74Å; L134-L148 HydrophobicContact CD1-CD1 3.52Å; L134-L148 HydrophobicContact CD1-CD2 3.82Å; L134-L148 HydrophobicContact CD1-CG 4.34Å; L140-L148 HydrophobicContact CD1-CD2 4.45Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 3.48Å; Q145-L148 WeakPolarHBondContact O-CB 3.4Å; Q145-L148 PolarHBondContact O-N 2.86Å; L148-R150 VanDerWaalsContact C-N 3.35Å; L148-R150 PolarHBondContact O-N 3.33Å; L148-T151 PolarHBondContact O-N 3.42Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 PolarHBondContact O-N 3.36Å; L148-L161 HydrophobicContact CD1-CD2 3.47Å; L148-L161 VanDerWaalsContact CD1-CD2 3.47Å; L148-L161 HydrophobicContact CG-CD2 4.46Å; L148-L163 HydrophobicContact CD2-CD1 4.45Å; L148-L163 HydrophobicContact CD2-CD2 4.05Å; L148-I175 HydrophobicContact CD2-CD1 4.05Å; L148-I175 HydrophobicContact CG-CD1 4.5Å
149R93.6Very high91.4Very high77 Ų7757.2 Ų57.229%0.29128%0.275SS..Hα-helixtrans-54-49.1176.7-179.4-150.7160.2-163.7-10.7112Q145 A147 M152 E153 P174 I175 R178Q145-R149 PolarHBondContact O-N 2.74Å; A147-R149 VanDerWaalsContact C-N 3.34Å; A147-R149 PolarHBondContact O-N 3.1Å; R149-M152 PolarHBondContact O-N 2.98Å; R149-E153 IonicContact NE-OE1 2.6Å; R149-E153 IonicContact NH2-OE1 2.77Å; R149-E153 PolarHBondContact O-N 3.23Å; R149-P174 HydrophobicContact CG-CB 4.24Å; R149-I175 HydrophobicContact CB-CG1 4.37Å; R149-R178 VanDerWaalsContact NH2-NH2 3.18Å
150R91.7Very high91.5Very high145 Ų14553.7 Ų53.755%0.54726%0.259SS..Hα-helixtrans-63.9-42.9-179.1-72.6-176.6-74.8178.8-4111.6H146 A147 L148 E153 K154H146-R150 PolarHBondContact O-N 2.93Å; H146-R150 PolarHBondContact O-NE 3.44Å; A147-R150 PolarHBondContact O-N 3.3Å; A147-R150 VanDerWaalsContact O-N 3.16Å; L148-R150 VanDerWaalsContact C-N 3.35Å; L148-R150 PolarHBondContact O-N 3.33Å; R150-E153 PolarHBondContact O-N 3.15Å; R150-K154 WeakPolarHBondContact O-CB 3.14Å; R150-K154 PolarHBondContact O-N 3.34Å; R150-K154 VanDerWaalsContact O-N 3.08Å
151T90.8Very high91.6Very high13 Ų1353.2 Ų53.28%0.0826%0.256CS..Hα-helixtrans-69.1-36.3-178.8-51.30000112L112 A147 L148 K154 Y155L112-T151 HydrophobicContact CB-CG2 3.4Å; L112-T151 HydrophobicContact CD1-CG2 3.47Å; L112-T151 VanDerWaalsContact CD1-CG2 3.47Å; L112-T151 HydrophobicContact CG-CG2 4.01Å; A147-T151 PolarHBondContact O-N 2.84Å; A147-T151 PolarHBondContact O-OG1 3.21Å; L148-T151 PolarHBondContact O-N 3.42Å; T151-K154 PolarHBondContact O-N 3.48Å; T151-Y155 HydrophobicContact CG2-CD2 3.55Å; T151-Y155 HydrophobicContact CG2-CE2 3.78Å; T151-Y155 WeakPolarHBondContact O-CD2 3.27Å; T151-Y155 PolarHBondContact O-N 2.93Å
152M90.9Very high91.8Very high3 Ų351.2 Ų51.22%0.01524%0.244CC..Hα-helixtrans-61.4-42.4175.2-174.5175.869.800111.9H37 L148 R149 M156 L161 R178H37-M152 WeakPolarHBondContact CD2-CG 3.21Å; H37-M152 PolarHBondContact CD2-SD 2.89Å; H37-M152 WeakPolarHBondContact NE2-CG 3.39Å; L148-M152 WeakPolarHBondContact O-CB 3.48Å; L148-M152 PolarHBondContact O-N 3.36Å; R149-M152 PolarHBondContact O-N 2.98Å; M152-M156 PolarHBondContact O-N 3.11Å; M152-L161 HydrophobicContact CB-CD2 4.48Å; M152-L161 HydrophobicContact CG-CD1 4.27Å; M152-L161 HydrophobicContact CG-CD2 4.42Å; M152-R178 HydrophobicContact CE-CB 3.41Å; M152-R178 VanDerWaalsContact CE-CB 3.41Å; M152-R178 HydrophobicContact CE-CG 4.04Å
153E89.9Confident92Very high93 Ų9346.2 Ų46.244%0.43522%0.222SC..Hα-helixtrans-67.8-41.2174.1-69.1171.217100111.8R149 R150 Y155 R178R149-E153 IonicContact NE-OE1 2.6Å; R149-E153 IonicContact NH2-OE1 2.77Å; R149-E153 PolarHBondContact O-N 3.23Å; R150-E153 PolarHBondContact O-N 3.15Å; E153-Y155 PolarHBondContact O-N 3.31Å; E153-R178 IonicContact OE1-CZ 3.76Å; E153-R178 IonicContact OE1-NE 3.23Å; E153-R178 PolarHBondContact OE1-NE 2.93Å; E153-R178 IonicContact OE1-NH2 2.74Å; E153-R178 PolarHBondContact OE1-NH2 3.46Å
154K91.1Very high92.1Very high148 Ų14841.3 Ų41.364%0.64320%0.197SC*.Hα-helixtrans-65.6-38.7-176.1-175.6176.8179.8-173.60113.7R150 T151R150-K154 WeakPolarHBondContact O-CB 3.14Å; R150-K154 PolarHBondContact O-N 3.34Å; R150-K154 VanDerWaalsContact O-N 3.08Å; T151-K154 PolarHBondContact O-N 3.48Å
155Y89.6Confident92.2Very high42 Ų4241.4 Ų41.417%0.16520%0.197CC..THydrogen-bonded Turntrans-111.920.1-173.8-59.8-66.9000113.3A116 T151 E153 S157 T158 C159A116-Y155 HydrophobicContact CB-CD1 3.4Å; A116-Y155 HydrophobicContact CB-CD2 4.28Å; A116-Y155 HydrophobicContact CB-CE1 3.81Å; A116-Y155 HydrophobicContact CB-CG 3.66Å; T151-Y155 HydrophobicContact CG2-CD2 3.55Å; T151-Y155 HydrophobicContact CG2-CE2 3.78Å; T151-Y155 WeakPolarHBondContact O-CD2 3.27Å; T151-Y155 PolarHBondContact O-N 2.93Å; E153-Y155 PolarHBondContact O-N 3.31Å; Y155-S157 PolarHBondContact O-N 3.17Å; Y155-S157 VanDerWaalsContact O-N 3.14Å; Y155-T158 PolarHBondContact O-N 3.09Å; Y155-T158 VanDerWaalsContact O-N 3.09Å; Y155-T158 PolarHBondContact O-OG1 3.02Å; Y155-C159 VanDerWaalsContact CB-SG 3.59Å; Y155-C159 PolarHBondContact O-N 3.43Å; Y155-C159 PolarHBondContact O-SG 3.23Å; Y155-C159 VanDerWaalsContact O-SG 3.35Å
156M87.8Confident92.1Very high71 Ų7144.4 Ų44.435%0.3521%0.213SC..THydrogen-bonded Turntrans-51.2-40.8-178.5-178.158.6174.400112.3H37 M152 T158 R160H37-M156 PolarHBondContact CE1-SD 3.37Å; H37-M156 PolarHBondContact NE2-SD 3.39Å; M152-M156 PolarHBondContact O-N 3.11Å; M156-T158 PolarHBondContact O-N 2.87Å; M156-R160 PolarHBondContact O-NH1 2.88Å; M156-R160 PolarHBondContact SD-NH1 3.43Å
157S86.4Confident91.9Very high101 Ų10143.1 Ų43.171%0.70621%0.213SC*.THydrogen-bonded Turntrans-69.1-29.8-177.655.30000114.4Y155Y155-S157 PolarHBondContact O-N 3.17Å; Y155-S157 VanDerWaalsContact O-N 3.14Å
158T87.4Confident91.9Very high57 Ų5744.7 Ų44.735%0.3522%0.223SC..THydrogen-bonded Turntrans-104.3-25.1-173.260.80000113.2F129 K130 Y155 M156F129-T158 WeakPolarHBondContact CA-O 3.35Å; K130-T158 PolarHBondContact N-O 3.33Å; K130-T158 VanDerWaalsContact N-O 3.12Å; Y155-T158 PolarHBondContact O-N 3.09Å; Y155-T158 VanDerWaalsContact O-N 3.09Å; Y155-T158 PolarHBondContact O-OG1 3.02Å; M156-T158 PolarHBondContact O-N 2.87Å
159C88.9Confident91.9Very high1 Ų149.1 Ų49.11%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-134.5145.3-179.973.10000113.3K130 Y155K130-C159 CarbonylContact O-C 3.52Å; K130-C159 VanDerWaalsContact O-CA 3.28Å; K130-C159 WeakPolarHBondContact O-CA 3.31Å; Y155-C159 VanDerWaalsContact CB-SG 3.59Å; Y155-C159 PolarHBondContact O-N 3.43Å; Y155-C159 PolarHBondContact O-SG 3.23Å; Y155-C159 VanDerWaalsContact O-SG 3.35Å
160R92.8Very high91.7Very high25 Ų2550.4 Ų50.49%0.09426%0.262CS..EExtended strand (participates in β ladder)trans-115.1135.3172.2-62.8-59.9-158.1-143.49109.6D34 F35 F129 K130 V131 V132 M156D34-R160 IonicContact OD1-CZ 3.62Å; D34-R160 IonicContact OD1-NH2 2.67Å; D34-R160 PolarHBondContact OD1-NH2 3.49Å; F35-R160 HydrophobicContact CD1-CB 4.04Å; F35-R160 HydrophobicContact CD1-CG 4.16Å; F35-R160 HydrophobicContact CE1-CB 4.38Å; F35-R160 VanDerWaalsContact O-CD 3.3Å; F35-R160 WeakPolarHBondContact O-CD 3.15Å; F35-R160 PolarHBondContact O-NE 3.04Å; F129-R160 HydrophobicContact CB-CG 4.24Å; F129-R160 HydrophobicContact CD1-CG 4.14Å; F129-R160 HydrophobicContact CD2-CB 3.69Å; F129-R160 HydrophobicContact CD2-CG 3.24Å; F129-R160 HydrophobicContact CE1-CG 4.34Å; F129-R160 HydrophobicContact CE2-CB 3.84Å; F129-R160 HydrophobicContact CE2-CG 3.49Å; F129-R160 VanDerWaalsContact CE2-CG 3.49Å; F129-R160 HydrophobicContact CG-CB 4.49Å; F129-R160 HydrophobicContact CG-CG 3.61Å; F129-R160 HydrophobicContact CZ-CG 4.05Å; K130-R160 PolarHBondContact O-N 3.45Å; V131-R160 CarbonylContact C-O 3.59Å; V131-R160 VanDerWaalsContact CA-O 3.24Å; V131-R160 WeakPolarHBondContact CA-O 3.44Å; V131-R160 HydrophobicContact CG2-CB 4.37Å; V132-R160 PolarHBondContact N-O 3.09Å; M156-R160 PolarHBondContact O-NH1 2.88Å; M156-R160 PolarHBondContact SD-NH1 3.43Å
161L95.1Very high91.9Very high0 Ų043.6 Ų43.60%024%0.236CC..EExtended strand (participates in β ladder)trans-99.8138.3-179.3-74.275.9000111.3H37 L38 L112 V132 L134 L148 M152 L163H37-L161 CarbonylContact C-O 3.5Å; H37-L161 WeakPolarHBondContact CA-O 3.35Å; H37-L161 PolarHBondContact ND1-N 3.48Å; L38-L161 PolarHBondContact N-O 3.38Å; L112-L161 HydrophobicContact CD1-CD2 4.32Å; L112-L161 HydrophobicContact CD2-CD1 4.02Å; L112-L161 HydrophobicContact CD2-CD2 4.12Å; L112-L161 HydrophobicContact CD2-CG 4.17Å; V132-L161 HydrophobicContact CB-CG 4.48Å; V132-L161 WeakPolarHBondContact O-CA 3.27Å; L134-L161 HydrophobicContact CD1-CD2 4.37Å; L148-L161 HydrophobicContact CD1-CD2 3.47Å; L148-L161 VanDerWaalsContact CD1-CD2 3.47Å; L148-L161 HydrophobicContact CG-CD2 4.46Å; M152-L161 HydrophobicContact CB-CD2 4.48Å; M152-L161 HydrophobicContact CG-CD1 4.27Å; M152-L161 HydrophobicContact CG-CD2 4.42Å; L161-L163 HydrophobicContact CB-CD2 4.33Å; L161-L163 HydrophobicContact CD2-CD2 4.29Å
162I96.7Very high92.1Very high0 Ų043.5 Ų43.50%024%0.235CC..EExtended strand (participates in β ladder)trans-116.2113.1164.9-59.6-177.5000107.2F35 L38 V40 I52 I55 L56 V131 V132 L133 L134F35-I162 HydrophobicContact CE1-CD1 4.42Å; F35-I162 HydrophobicContact CE1-CG1 4.4Å; F35-I162 HydrophobicContact CZ-CD1 4.18Å; F35-I162 HydrophobicContact CZ-CG1 4.48Å; L38-I162 HydrophobicContact CB-CG1 4.23Å; L38-I162 HydrophobicContact CB-CG2 4.29Å; L38-I162 HydrophobicContact CD1-CD1 4.41Å; L38-I162 HydrophobicContact CD1-CG1 4.47Å; L38-I162 WeakPolarHBondContact O-CA 3.48Å; V40-I162 HydrophobicContact CG2-CG2 4.1Å; I52-I162 HydrophobicContact CD1-CG2 3.85Å; I52-I162 HydrophobicContact CG1-CG2 3.91Å; I52-I162 HydrophobicContact CG2-CD1 4.17Å; I52-I162 HydrophobicContact CG2-CG2 4.06Å; I55-I162 HydrophobicContact CG2-CD1 4.49Å; L56-I162 HydrophobicContact CD2-CD1 4.5Å; V131-I162 HydrophobicContact CG1-CB 4.39Å; V131-I162 HydrophobicContact CG1-CD1 3.74Å; V131-I162 HydrophobicContact CG1-CG1 3.78Å; V132-I162 PolarHBondContact O-N 3.07Å; L133-I162 WeakPolarHBondContact CA-O 3.38Å; L133-I162 HydrophobicContact CD1-CB 4.18Å; L133-I162 HydrophobicContact CD1-CG2 3.93Å; L133-I162 WeakPolarHBondContact CD1-O 3.39Å; L134-I162 PolarHBondContact N-O 3.18Å
163L96.6Very high92.3Very high0 Ų047.2 Ų47.20%026%0.259CS..EExtended strand (participates in β ladder)trans-96.9120.4179.4-54.8-176.2000108.7L38 L39 V40 L134 V137 L148 L161 I175L38-L163 PolarHBondContact O-N 2.8Å; L39-L163 CarbonylContact C-O 3.52Å; L39-L163 HydrophobicContact CD1-CB 3.7Å; L39-L163 HydrophobicContact CD1-CD1 4.41Å; V40-L163 PolarHBondContact N-O 3.24Å; L134-L163 HydrophobicContact CB-CD2 3.95Å; L134-L163 HydrophobicContact CD1-CD2 3.75Å; L134-L163 HydrophobicContact CG-CD2 4.07Å; V137-L163 HydrophobicContact CG1-CD1 4.48Å; V137-L163 HydrophobicContact CG2-CB 4.01Å; V137-L163 HydrophobicContact CG2-CD2 4.14Å; L148-L163 HydrophobicContact CD2-CD1 4.45Å; L148-L163 HydrophobicContact CD2-CD2 4.05Å; L161-L163 HydrophobicContact CB-CD2 4.33Å; L161-L163 HydrophobicContact CD2-CD2 4.29Å; L163-I175 HydrophobicContact CD1-CG2 3.37Å
164C96.4Very high92.5Very high10 Ų1044.4 Ų44.47%0.06825%0.249CC..EExtended strand (participates in β ladder)trans-109.7116.3177.4179.90000110.3V40 I52 L133 L134 T135 E136 V137V40-C164 WeakPolarHBondContact O-CA 3.47Å; I52-C164 HydrophobicContact CD1-CB 3.86Å; L133-C164 HydrophobicContact CD1-CB 4.18Å; L134-C164 PolarHBondContact O-N 3.15Å; T135-C164 CarbonylContact C-O 3.56Å; E136-C164 PolarHBondContact N-O 3.27Å; V137-C164 PolarHBondContact N-O 3.09Å
165C94.8Very high92.7Very high2 Ų237.3 Ų37.31%0.01422%0.218CC..EExtended strand (participates in β ladder)trans-133.1168.2175.466.40000112.2V40 Y41 K48 V137 D138V40-C165 PolarHBondContact O-N 3.14Å; V40-C165 VanDerWaalsContact O-N 3.09Å; Y41-C165 VanDerWaalsContact CA-O 3.31Å; Y41-C165 WeakPolarHBondContact CA-O 3.44Å; Y41-C165 VanDerWaalsContact CB-SG 3.59Å; K48-C165 WeakPolarHBondContact CD-O 3.34Å; K48-C165 WeakPolarHBondContact CE-O 3.47Å; V137-C165 HydrophobicContact CB-CB 4.37Å; D138-C165 HydrophobicContact CB-CB 3.88Å
166N92.8Very high92.9Very high64 Ų6440.7 Ų40.734%0.34223%0.231SC..SBendtrans-88.4-46.8173.6-66.8-37.6000111.2G42 K48 D138G42-N166 CarbonylContact C-O 3.47Å; G42-N166 PolarHBondContact N-O 3.43Å; G42-N166 VanDerWaalsContact O-CA 3.27Å; G42-N166 WeakPolarHBondContact O-CA 3.46Å; G42-N166 VanDerWaalsContact O-O 3.12Å; K48-N166 PolarHBondContact NZ-OD1 3.47Å; D138-N166 PolarHBondContact OD2-N 2.88Å; D138-N166 VanDerWaalsContact OD2-N 3.14Å
167S90.8Very high93.2Very high54 Ų5441.5 Ų41.538%0.37824%0.244SC..  trans-123.6139.2177.3-178.50000111.5D138 S169D138-S167 WeakPolarHBondContact CB-O 3.46Å; D138-S167 PolarHBondContact OD2-N 3.47Å; S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 3.46Å; S167-S169 PolarHBondContact OG-OG 2.89Å
168T93.1Very high93.6Very high33 Ų3340.8 Ų40.820%0.20223%0.226CC..SBendtrans-81.9-7175.355.60000113.3L39 Y41 K170 V171L39-T168 HydrophobicContact CD2-CG2 4.14Å; Y41-T168 HydrophobicContact CD1-CG2 3.69Å; Y41-T168 HydrophobicContact CD2-CG2 3.58Å; Y41-T168 HydrophobicContact CE1-CG2 4.1Å; Y41-T168 HydrophobicContact CE2-CG2 3.97Å; Y41-T168 HydrophobicContact CG-CG2 3.4Å; T168-K170 VanDerWaalsContact C-N 3.34Å; T168-K170 PolarHBondContact O-N 3.33Å; T168-V171 PolarHBondContact O-N 2.89Å; T168-V171 VanDerWaalsContact O-N 3.16Å
169S92.5Very high93.9Very high93 Ų9338.7 Ų38.765%0.6521%0.213SC*.THydrogen-bonded Turntrans-62.5-38.1-174.5590000113S167 V171S167-S169 VanDerWaalsContact C-N 3.3Å; S167-S169 PolarHBondContact OG-N 3.46Å; S167-S169 PolarHBondContact OG-OG 2.89Å; S169-V171 VanDerWaalsContact C-N 3.32Å
170K90.7Very high94.2Very high103 Ų10342 Ų4245%0.44823%0.23SC..THydrogen-bonded Turntrans-81.1-8.7178.5-69.7-173.7177.1-178.20113.5D138 K142 Q145 T168D138-K170 HydrophobicContact CB-CB 4.37Å; D138-K170 WeakPolarHBondContact O-CB 3.48Å; D138-K170 WeakPolarHBondContact O-CD 3.41Å; K142-K170 PolarHBondContact NZ-O 3.2Å; Q145-K170 PolarHBondContact NE2-O 3.18Å; Q145-K170 PolarHBondContact OE1-O 3.32Å; T168-K170 VanDerWaalsContact C-N 3.34Å; T168-K170 PolarHBondContact O-N 3.33Å
171V94.6Very high94.4Very high2 Ų243.6 Ų43.61%0.01225%0.249CC..SBendtrans-85.4128-179.8-176.50000110.7T168 S169 I175 R176T168-V171 PolarHBondContact O-N 2.89Å; T168-V171 VanDerWaalsContact O-N 3.16Å; S169-V171 VanDerWaalsContact C-N 3.32Å; V171-I175 HydrophobicContact CG1-CB 3.95Å; V171-I175 HydrophobicContact CG1-CD1 4.48Å; V171-I175 HydrophobicContact CG1-CG2 3.91Å; V171-R176 HydrophobicContact CB-CG 4.4Å; V171-R176 HydrophobicContact CG1-CG 4.01Å
172I95.5Very high94.4Very high12 Ų1244 Ų446%0.06225%0.251CS..  trans-63142.7-178.260.1167.8000112.2K142 Q145 P174 I175 R176K142-I172 HydrophobicContact CD-CG2 3.6Å; Q145-I172 HydrophobicContact CB-CD1 3.9Å; Q145-I172 HydrophobicContact CB-CG1 4Å; I172-P174 VanDerWaalsContact C-N 3.31Å; I172-P174 HydrophobicContact CD1-CB 4.3Å; I172-P174 HydrophobicContact CD1-CG 4.3Å; I172-I175 HydrophobicContact CD1-CD1 4.16Å; I172-I175 HydrophobicContact CD1-CG1 4.11Å; I172-I175 HydrophobicContact CG1-CB 4.28Å; I172-I175 HydrophobicContact CG1-CD1 3.8Å; I172-I175 HydrophobicContact CG1-CG1 3.8Å; I172-I175 PolarHBondContact O-N 3.09Å; I172-I175 VanDerWaalsContact O-N 3.07Å; I172-R176 PolarHBondContact O-N 2.89Å
173P95.1Very high94.4Very high80 Ų8051.7 Ų51.752%0.51928%0.28SS..Hα-helixtrans-51.6-36.4177.1-21.428.2000115.8I175 R176 S177P173-I175 VanDerWaalsContact C-N 3.28Å; P173-I175 PolarHBondContact O-N 3.19Å; P173-R176 PolarHBondContact O-N 3.35Å; P173-S177 PolarHBondContact O-N 2.91Å; P173-S177 PolarHBondContact O-OG 3.38Å
174P95.1Very high94.3Very high34 Ų3451.7 Ų51.722%0.22128%0.28CS..Hα-helixtrans-60.9-30.1176.5-27.937.4000114.8R149 I172 S177 R178R149-P174 HydrophobicContact CG-CB 4.24Å; I172-P174 VanDerWaalsContact C-N 3.31Å; I172-P174 HydrophobicContact CD1-CB 4.3Å; I172-P174 HydrophobicContact CD1-CG 4.3Å; P174-S177 PolarHBondContact O-OG 3.47Å; P174-S177 VanDerWaalsContact O-OG 3.1Å; P174-R178 WeakPolarHBondContact O-CD 3.39Å; P174-R178 WeakPolarHBondContact O-CG 3.47Å; P174-R178 PolarHBondContact O-NH1 3.32Å
175I94.9Very high94.3Very high0 Ų053.3 Ų53.30%029%0.291CS..Hα-helixtrans-75.8-47.6174.1-68174.7000109.4Q145 L148 R149 L163 V171 I172 P173 S177 R178 C179Q145-I175 HydrophobicContact CB-CD1 3.78Å; Q145-I175 HydrophobicContact CG-CD1 4.17Å; L148-I175 HydrophobicContact CD2-CD1 4.05Å; L148-I175 HydrophobicContact CG-CD1 4.5Å; R149-I175 HydrophobicContact CB-CG1 4.37Å; L163-I175 HydrophobicContact CD1-CG2 3.37Å; V171-I175 HydrophobicContact CG1-CB 3.95Å; V171-I175 HydrophobicContact CG1-CD1 4.48Å; V171-I175 HydrophobicContact CG1-CG2 3.91Å; I172-I175 HydrophobicContact CD1-CD1 4.16Å; I172-I175 HydrophobicContact CD1-CG1 4.11Å; I172-I175 HydrophobicContact CG1-CB 4.28Å; I172-I175 HydrophobicContact CG1-CD1 3.8Å; I172-I175 HydrophobicContact CG1-CG1 3.8Å; I172-I175 PolarHBondContact O-N 3.09Å; I172-I175 VanDerWaalsContact O-N 3.07Å; P173-I175 VanDerWaalsContact C-N 3.28Å; P173-I175 PolarHBondContact O-N 3.19Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.95Å; I175-R178 PolarHBondContact O-N 3.38Å; I175-C179 PolarHBondContact O-N 3.17Å; I175-C179 PolarHBondContact O-SG 2.96Å; I175-C179 VanDerWaalsContact O-SG 3.41Å
176R94.3Very high94.3Very high112 Ų11254.4 Ų54.442%0.42330%0.3SS..Hα-helixtrans-57.3-37.6-178.3-64.2-172.4-64.4171.61.9113.3L39 V171 I172 P173 R178L39-R176 HydrophobicContact CD2-CG 4.01Å; V171-R176 HydrophobicContact CB-CG 4.4Å; V171-R176 HydrophobicContact CG1-CG 4.01Å; I172-R176 PolarHBondContact O-N 2.89Å; P173-R176 PolarHBondContact O-N 3.35Å; R176-R178 PolarHBondContact O-N 3.24Å
177S93.4Very high94.4Very high89 Ų8951.4 Ų51.462%0.62228%0.284SS*.THydrogen-bonded Turntrans-69.2-17.7178.346.20000114.5P173 P174 I175P173-S177 PolarHBondContact O-N 2.91Å; P173-S177 PolarHBondContact O-OG 3.38Å; P174-S177 PolarHBondContact O-OG 3.47Å; P174-S177 VanDerWaalsContact O-OG 3.1Å; I175-S177 VanDerWaalsContact C-N 3.27Å; I175-S177 PolarHBondContact O-N 2.95Å
178R93.5Very high94.6Very high86 Ų8650.7 Ų50.733%0.32528%0.279SS..THydrogen-bonded Turntrans-107.4-0.3-176.2-67.1171.7177.9598113.2R149 M152 E153 P174 I175 R176R149-R178 VanDerWaalsContact NH2-NH2 3.18Å; M152-R178 HydrophobicContact CE-CB 3.41Å; M152-R178 VanDerWaalsContact CE-CB 3.41Å; M152-R178 HydrophobicContact CE-CG 4.04Å; E153-R178 IonicContact OE1-CZ 3.76Å; E153-R178 IonicContact OE1-NE 3.23Å; E153-R178 PolarHBondContact OE1-NE 2.93Å; E153-R178 IonicContact OE1-NH2 2.74Å; E153-R178 PolarHBondContact OE1-NH2 3.46Å; P174-R178 WeakPolarHBondContact O-CD 3.39Å; P174-R178 WeakPolarHBondContact O-CG 3.47Å; P174-R178 PolarHBondContact O-NH1 3.32Å; I175-R178 PolarHBondContact O-N 3.38Å; R176-R178 PolarHBondContact O-N 3.24Å
179C94.9Very high94.7Very high12 Ų1251 Ų518%0.08128%0.278CS..SBendtrans-122.8139.3-179.7-56.30000109.7H37 L39 I175 A181H37-C179 HydrophobicContact CB-CB 4.34Å; H37-C179 CarbonylContact O-C 3.56Å; H37-C179 VanDerWaalsContact O-CA 3.3Å; H37-C179 WeakPolarHBondContact O-CA 3.48Å; L39-C179 HydrophobicContact CB-CB 3.72Å; I175-C179 PolarHBondContact O-N 3.17Å; I175-C179 PolarHBondContact O-SG 2.96Å; I175-C179 VanDerWaalsContact O-SG 3.41Å; C179-A181 PolarHBondContact O-N 3.49Å
180L95.6Very high94.9Very high72 Ų7252.2 Ų52.238%0.37727%0.274SS..EExtended strand (participates in β ladder)trans-69.4117.4167.2-172156.3000108.3L29 P36 H37 L38 L39 V182L29-L180 HydrophobicContact CD1-CD1 4.05Å; L29-L180 HydrophobicContact CD2-CD1 4.11Å; L29-L180 HydrophobicContact CD2-CD2 4.48Å; P36-L180 HydrophobicContact CG-CB 4.11Å; P36-L180 HydrophobicContact CG-CD1 4.02Å; H37-L180 PolarHBondContact O-N 3.47Å; L38-L180 HydrophobicContact CD2-CB 3.9Å; L38-L180 HydrophobicContact CD2-CD2 4.09Å; L38-L180 HydrophobicContact CD2-CG 4.46Å; L39-L180 PolarHBondContact N-O 3.36Å; L180-V182 HydrophobicContact CD2-CG2 3.47Å; L180-V182 VanDerWaalsContact CD2-CG2 3.47Å; L180-V182 PolarHBondContact O-N 2.95Å
181A95.6Very high95.1Very high58 Ų5849.8 Ų49.848%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-81.9112.8-176.500000110.8Y41 C179Y41-A181 HydrophobicContact CE1-CB 4.07Å; C179-A181 PolarHBondContact O-N 3.49Å
182V95.9Very high95.1Very high8 Ų849.7 Ų49.75%0.04827%0.265CS..EExtended strand (participates in β ladder)trans-106.6104.4177.6-177.10000109L26 L38 L39 V40 Y41 L180 V184L26-V182 HydrophobicContact CD2-CG1 4.17Å; L26-V182 HydrophobicContact CD2-CG2 4.13Å; L38-V182 HydrophobicContact CD2-CG2 4.33Å; L39-V182 PolarHBondContact O-N 3.01Å; V40-V182 WeakPolarHBondContact CA-O 3.4Å; V40-V182 HydrophobicContact CG2-CB 4.23Å; Y41-V182 WeakPolarHBondContact CD1-O 3.46Å; Y41-V182 PolarHBondContact N-O 3.33Å; L180-V182 HydrophobicContact CD2-CG2 3.47Å; L180-V182 VanDerWaalsContact CD2-CG2 3.47Å; L180-V182 PolarHBondContact O-N 2.95Å; V182-V184 HydrophobicContact CG1-CG2 4.34Å
183R95.8Very high95.1Very high161 Ų16149.6 Ų49.661%0.60827%0.266SS*.EExtended strand (participates in β ladder)trans-83.7117.4175.2-174.5-179.4175.3-172.7-1.7110.3Q22 Y41 P185Q22-R183 PolarHBondContact NE2-O 3.01Å; Y41-R183 HydrophobicContact CD2-CG 4.44Å; Y41-R183 HydrophobicContact CE1-CB 3.9Å; Y41-R183 HydrophobicContact CE2-CB 4Å; Y41-R183 HydrophobicContact CE2-CG 3.79Å; R183-P185 VanDerWaalsContact O-CD 3.25Å; R183-P185 WeakPolarHBondContact O-CD 3.33Å
184V95.9Very high95.1Very high0 Ų051.3 Ų51.30%027%0.267CS..  trans-103.297.6173.2-175.60000108.6V40 Y41 G42 A46 K48 V182V40-V184 HydrophobicContact CG1-CG2 3.75Å; Y41-V184 PolarHBondContact O-N 3.44Å; G42-V184 WeakPolarHBondContact CA-O 3.47Å; A46-V184 HydrophobicContact CB-CG1 4.3Å; A46-V184 WeakPolarHBondContact O-CG1 2.94Å; K48-V184 HydrophobicContact CG-CB 4.07Å; K48-V184 HydrophobicContact CG-CG1 4.45Å; K48-V184 HydrophobicContact CG-CG2 4.34Å; V182-V184 HydrophobicContact CG1-CG2 4.34Å
185P95.1Very high95.1Very high45 Ų4550 Ų5029%0.29226%0.258SS..PPolyproline II helixtrans-69.9156.1178.226.3-27.7000111.1H19 R183H19-P185 PolarHBondContact NE2-O 2.87Å; R183-P185 VanDerWaalsContact O-CD 3.25Å; R183-P185 WeakPolarHBondContact O-CD 3.33Å
186A94.4Very high95.1Very high25 Ų2550.1 Ų50.121%0.20726%0.258CS..PPolyproline II helixtrans-58.4141.617000000109.9P43 R221P43-A186 HydrophobicContact CG-CB 3.68Å; A186-R221 HydrophobicContact CB-CB 3.94Å
187P95.3Very high95.1Very high0 Ų047.1 Ų47.10%026%0.255CS..PPolyproline II helixtrans-60.5155.117323.9-30.3000111.2Y18 D191 I192 L223Y18-P187 HydrophobicContact CD1-CB 4.45Å; Y18-P187 HydrophobicContact CD2-CB 3.78Å; Y18-P187 HydrophobicContact CE1-CB 4.46Å; Y18-P187 HydrophobicContact CE2-CB 3.73Å; Y18-P187 HydrophobicContact CE2-CG 4Å; Y18-P187 HydrophobicContact CG-CB 4.15Å; P187-D191 HydrophobicContact CB-CB 3.8Å; P187-I192 HydrophobicContact CB-CG1 4.05Å; P187-I192 HydrophobicContact CG-CD1 4.08Å; P187-I192 HydrophobicContact CG-CG1 3.74Å; P187-L223 HydrophobicContact CG-CB 4.18Å
188S95.8Very high95.2Very high39 Ų3944.6 Ų44.627%0.27324%0.236SC..PPolyproline II helixtrans-69.5168.7171.986.40000111.1E190 D191 I192S188-E190 VanDerWaalsContact C-N 3.25Å; S188-E190 WeakPolarHBondContact CB-OE2 3.25Å; S188-E190 PolarHBondContact O-N 3.46Å; S188-E190 PolarHBondContact OG-N 3.36Å; S188-E190 PolarHBondContact OG-OE2 3.05Å; S188-D191 PolarHBondContact N-OD2 2.92Å; S188-D191 PolarHBondContact O-N 3.11Å; S188-D191 PolarHBondContact OG-N 3.14Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 3.44Å; S188-I192 VanDerWaalsContact O-N 3.07Å
189I95.4Very high95.2Very high39 Ų3940.9 Ų40.920%0.222%0.222CC..Hα-helixtrans-63.5-39.1176.4-62.7-61.2000109.7I192 C193 A216 R221I189-I192 PolarHBondContact O-N 2.95Å; I189-C193 PolarHBondContact O-N 3.13Å; I189-C193 PolarHBondContact O-SG 2.89Å; I189-A216 HydrophobicContact CD1-CB 4.41Å; I189-A216 HydrophobicContact CG2-CB 3.74Å; I189-R221 HydrophobicContact CD1-CG 3.85Å
190E95.1Very high95.2Very high120 Ų12040.3 Ų40.356%0.56122%0.219SC*.Hα-helixtrans-65.5-43.5177.1-53.874.8-159.400111.5S188 I192 C193 H194S188-E190 VanDerWaalsContact C-N 3.25Å; S188-E190 WeakPolarHBondContact CB-OE2 3.25Å; S188-E190 PolarHBondContact O-N 3.46Å; S188-E190 PolarHBondContact OG-N 3.36Å; S188-E190 PolarHBondContact OG-OE2 3.05Å; E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.37Å; E190-C193 PolarHBondContact O-N 3.29Å; E190-H194 WeakPolarHBondContact O-CB 3.34Å; E190-H194 PolarHBondContact O-N 3.49Å
191D95.1Very high95.1Very high51 Ų5145.4 Ų45.427%0.27324%0.238SC..Hα-helixtrans-58.1-44.4174.8-74.8-27.8000111P187 S188 H194 V195P187-D191 HydrophobicContact CB-CB 3.8Å; S188-D191 PolarHBondContact N-OD2 2.92Å; S188-D191 PolarHBondContact O-N 3.11Å; S188-D191 PolarHBondContact OG-N 3.14Å; D191-H194 PolarHBondContact O-N 2.8Å; D191-V195 WeakPolarHBondContact O-CG2 3.38Å; D191-V195 PolarHBondContact O-N 3.11Å
192I95.6Very high95Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-63.3-46.1177.5-65.6166.7000110.2P187 S188 I189 E190 H194 V195 L196 A216 R221 L223 A226P187-I192 HydrophobicContact CB-CG1 4.05Å; P187-I192 HydrophobicContact CG-CD1 4.08Å; P187-I192 HydrophobicContact CG-CG1 3.74Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.46Å; S188-I192 PolarHBondContact O-N 3.44Å; S188-I192 VanDerWaalsContact O-N 3.07Å; I189-I192 PolarHBondContact O-N 2.95Å; E190-I192 VanDerWaalsContact C-N 3.31Å; E190-I192 PolarHBondContact O-N 3.37Å; I192-H194 VanDerWaalsContact C-N 3.29Å; I192-H194 PolarHBondContact O-N 3.5Å; I192-V195 PolarHBondContact O-N 2.91Å; I192-L196 HydrophobicContact CG2-CD1 4.02Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CB 3.21Å; I192-L196 WeakPolarHBondContact O-CG 3.32Å; I192-L196 PolarHBondContact O-N 3.15Å; I192-A216 HydrophobicContact CB-CB 4Å; I192-A216 HydrophobicContact CG2-CB 3.72Å; I192-R221 HydrophobicContact CD1-CB 4.44Å; I192-L223 HydrophobicContact CB-CD1 4.44Å; I192-L223 HydrophobicContact CG1-CD1 4.14Å; I192-L223 HydrophobicContact CG2-CD1 4.16Å; I192-A226 HydrophobicContact CG2-CB 3.65Å
193C95.6Very high94.9Very high11 Ų1149.7 Ų49.77%0.07425%0.246CC..Hα-helixtrans-59-41.5177.2-67.50000111.8I189 E190 L196 S197 A212I189-C193 PolarHBondContact O-N 3.13Å; I189-C193 PolarHBondContact O-SG 2.89Å; E190-C193 PolarHBondContact O-N 3.29Å; C193-L196 PolarHBondContact O-N 3.17Å; C193-S197 WeakPolarHBondContact O-CB 3.44Å; C193-S197 PolarHBondContact O-N 2.7Å; C193-S197 PolarHBondContact O-OG 3.35Å; C193-A212 HydrophobicContact CB-CB 4.43Å
194H94.9Very high94.6Very high116 Ų11645 Ų4554%0.53725%0.248SC..Hα-helixtrans-64.7-43.4177.2-172.668.1000112E190 D191 I192 S197 T198E190-H194 WeakPolarHBondContact O-CB 3.34Å; E190-H194 PolarHBondContact O-N 3.49Å; D191-H194 PolarHBondContact O-N 2.8Å; I192-H194 VanDerWaalsContact C-N 3.29Å; I192-H194 PolarHBondContact O-N 3.5Å; H194-S197 PolarHBondContact O-N 3.23Å; H194-T198 WeakPolarHBondContact O-CB 3.36Å; H194-T198 PolarHBondContact O-N 3.49Å; H194-T198 PolarHBondContact O-OG1 3.16Å
195V95.2Very high94.4Very high7 Ų745.8 Ų45.84%0.04225%0.252CS..Hα-helixtrans-63.9-46.7175.9177.30000110.9D17 Y18 D191 I192 S197 T198 V199 L223D17-V195 HydrophobicContact CB-CG2 3.57Å; Y18-V195 HydrophobicContact CD1-CG2 4.31Å; D191-V195 WeakPolarHBondContact O-CG2 3.38Å; D191-V195 PolarHBondContact O-N 3.11Å; I192-V195 PolarHBondContact O-N 2.91Å; V195-S197 VanDerWaalsContact C-N 3.34Å; V195-S197 PolarHBondContact O-N 3.1Å; V195-T198 PolarHBondContact O-N 3.35Å; V195-V199 HydrophobicContact CG1-CG2 4.37Å; V195-V199 WeakPolarHBondContact O-CG2 3.25Å; V195-V199 PolarHBondContact O-N 2.87Å; V195-L223 HydrophobicContact CB-CD1 4.11Å; V195-L223 HydrophobicContact CG1-CD1 4Å
196L94.8Very high94.1Very high1 Ų150.3 Ų50.31%0.00527%0.274CS..Hα-helixtrans-58.5-45.9177.7-71.8178.5000111.5I192 C193 T198 V199 C200 L207 L215 A226 L227 C230I192-L196 HydrophobicContact CG2-CD1 4.02Å; I192-L196 HydrophobicContact CG2-CG 4.22Å; I192-L196 WeakPolarHBondContact O-CB 3.21Å; I192-L196 WeakPolarHBondContact O-CG 3.32Å; I192-L196 PolarHBondContact O-N 3.15Å; C193-L196 PolarHBondContact O-N 3.17Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.41Å; L196-V199 PolarHBondContact O-N 2.88Å; L196-C200 WeakPolarHBondContact O-CB 3.49Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 2.74Å; L196-L207 HydrophobicContact CB-CD2 3.95Å; L196-L215 HydrophobicContact CD1-CB 3.93Å; L196-L215 HydrophobicContact CD1-CD1 4.29Å; L196-A226 HydrophobicContact CD1-CB 4.39Å; L196-A226 HydrophobicContact CD2-CB 4.39Å; L196-L227 HydrophobicContact CD2-CD2 4.34Å; L196-L227 HydrophobicContact CD2-CG 4.32Å; L196-C230 HydrophobicContact CD2-CB 3.9Å
197S94.8Very high94Very high49 Ų4949.9 Ų49.934%0.34327%0.268SS..Hα-helixtrans-63.2-40.6177.4-57.30000111.7C193 H194 V195 C200 K201C193-S197 WeakPolarHBondContact O-CB 3.44Å; C193-S197 PolarHBondContact O-N 2.7Å; C193-S197 PolarHBondContact O-OG 3.35Å; H194-S197 PolarHBondContact O-N 3.23Å; V195-S197 VanDerWaalsContact C-N 3.34Å; V195-S197 PolarHBondContact O-N 3.1Å; S197-C200 PolarHBondContact O-N 2.87Å; S197-K201 VanDerWaalsContact O-CB 3.27Å; S197-K201 WeakPolarHBondContact O-CB 3.3Å; S197-K201 PolarHBondContact O-N 2.78Å
198T94.8Very high93.9Very high37 Ų3751.8 Ų51.823%0.22728%0.28CS..Hα-helixtrans-65.2-41.5177.6-61.70000111.8H194 V195 L196 K202H194-T198 WeakPolarHBondContact O-CB 3.36Å; H194-T198 PolarHBondContact O-N 3.49Å; H194-T198 PolarHBondContact O-OG1 3.16Å; V195-T198 PolarHBondContact O-N 3.35Å; L196-T198 VanDerWaalsContact C-N 3.33Å; L196-T198 PolarHBondContact O-N 3.41Å; T198-K202 HydrophobicContact CG2-CD 4.42Å; T198-K202 VanDerWaalsContact O-CG 3.31Å; T198-K202 WeakPolarHBondContact O-CG 3.36Å; T198-K202 PolarHBondContact O-N 3.14Å
199V94.6Very high93.7Very high7 Ų754 Ų544%0.04230%0.296CS..Hα-helixtrans-67-46.1176.5169.40000110.9W4 Y8 V195 L196 K201 K202 E203 L227W4-V199 HydrophobicContact CE3-CG1 4.36Å; Y8-V199 HydrophobicContact CD2-CB 4.47Å; Y8-V199 HydrophobicContact CD2-CG1 3.56Å; Y8-V199 HydrophobicContact CD2-CG2 4.27Å; Y8-V199 HydrophobicContact CE2-CG1 3.89Å; Y8-V199 HydrophobicContact CG-CG1 4.14Å; Y8-V199 HydrophobicContact CG-CG2 4.03Å; V195-V199 HydrophobicContact CG1-CG2 4.37Å; V195-V199 WeakPolarHBondContact O-CG2 3.25Å; V195-V199 PolarHBondContact O-N 2.87Å; L196-V199 PolarHBondContact O-N 2.88Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.78Å; V199-K202 PolarHBondContact O-N 2.92Å; V199-E203 PolarHBondContact O-N 2.94Å; V199-L227 HydrophobicContact CB-CD2 4.41Å; V199-L227 HydrophobicContact CG1-CD2 4.25Å; V199-L227 HydrophobicContact CG2-CD2 4.01Å
200C93.3Very high93.6Very high1 Ų158 Ų581%0.00731%0.314CS..Hα-helixtrans-61.5-42.9177.2-66.80000111.6L196 S197 K202 E203 G204 L205 L207L196-C200 WeakPolarHBondContact O-CB 3.49Å; L196-C200 PolarHBondContact O-N 3.08Å; L196-C200 PolarHBondContact O-SG 2.74Å; S197-C200 PolarHBondContact O-N 2.87Å; C200-K202 VanDerWaalsContact C-N 3.33Å; C200-K202 PolarHBondContact O-N 3.33Å; C200-E203 CarbonylContact O-C 3.56Å; C200-E203 PolarHBondContact O-N 2.99Å; C200-E203 VanDerWaalsContact O-N 3.16Å; C200-G204 PolarHBondContact O-N 3.41Å; C200-L205 CarbonylContact C-O 3.47Å; C200-L205 HydrophobicContact CB-CB 4.26Å; C200-L205 PolarHBondContact O-N 3.35Å; C200-L207 HydrophobicContact CB-CB 3.85Å
201K94.2Very high93.5Very high178 Ų17852.3 Ų52.377%0.77429%0.287SS*.Hα-helixtrans-61.1-39.4175.4-173.6175.7-179176.10112.3S197 V199 E203 G204S197-K201 VanDerWaalsContact O-CB 3.27Å; S197-K201 WeakPolarHBondContact O-CB 3.3Å; S197-K201 PolarHBondContact O-N 2.78Å; V199-K201 VanDerWaalsContact C-N 3.34Å; V199-K201 PolarHBondContact O-N 2.78Å; K201-E203 VanDerWaalsContact C-N 3.34Å; K201-G204 PolarHBondContact O-N 3.09Å; K201-G204 VanDerWaalsContact O-N 3.16Å
202K93.4Very high93.4Very high110 Ų11050 Ų5048%0.47827%0.274SS..Hα-helixtrans-67.9-32.5175.6-75.1172.7-176.3167.50112.9Y8 T198 V199 C200 G204Y8-K202 HydrophobicContact CD1-CB 4.45Å; Y8-K202 HydrophobicContact CD1-CD 3.79Å; Y8-K202 HydrophobicContact CE1-CB 3.68Å; Y8-K202 HydrophobicContact CE1-CD 3.76Å; Y8-K202 HydrophobicContact CE1-CG 4.35Å; T198-K202 HydrophobicContact CG2-CD 4.42Å; T198-K202 VanDerWaalsContact O-CG 3.31Å; T198-K202 WeakPolarHBondContact O-CG 3.36Å; T198-K202 PolarHBondContact O-N 3.14Å; V199-K202 PolarHBondContact O-N 2.92Å; C200-K202 VanDerWaalsContact C-N 3.33Å; C200-K202 PolarHBondContact O-N 3.33Å; K202-G204 VanDerWaalsContact C-N 3.28Å
203E93.1Very high93.4Very high46 Ų4653.9 Ų53.922%0.21529%0.293CS..THydrogen-bonded Turntrans-81.9-4172.3-72.7-71.1157.700113W4 K7 Y8 V199 C200 K201 L205W4-E203 HydrophobicContact CZ2-CB 4.41Å; W4-E203 HydrophobicContact CZ2-CG 3.89Å; K7-E203 IonicContact NZ-OE1 3.43Å; K7-E203 PolarHBondContact NZ-OE1 2.65Å; K7-E203 IonicContact NZ-OE2 3.94Å; Y8-E203 HydrophobicContact CE2-CG 3.7Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.39Å; Y8-E203 VanDerWaalsContact OH-CG 3.25Å; Y8-E203 WeakPolarHBondContact OH-CG 3.31Å; Y8-E203 PolarHBondContact OH-OE1 3Å; V199-E203 PolarHBondContact O-N 2.94Å; C200-E203 CarbonylContact O-C 3.56Å; C200-E203 PolarHBondContact O-N 2.99Å; C200-E203 VanDerWaalsContact O-N 3.16Å; K201-E203 VanDerWaalsContact C-N 3.34Å; E203-L205 VanDerWaalsContact C-N 3.35Å; E203-L205 HydrophobicContact CB-CD1 3.2Å; E203-L205 HydrophobicContact CG-CD1 4.28Å
204G90.6Very high93.3Very high64 Ų6457.9 Ų57.966%0.6631%0.306SS*.THydrogen-bonded Turntrans74.718.8-177.600000114.7C200 K201 K202C200-G204 PolarHBondContact O-N 3.41Å; K201-G204 PolarHBondContact O-N 3.09Å; K201-G204 VanDerWaalsContact O-N 3.16Å; K202-G204 VanDerWaalsContact C-N 3.28Å
205L91Very high93.3Very high15 Ų1552.3 Ų52.38%0.07928%0.281CS..  trans-94146.3175.6-66.198.2000111.8W4 C200 E203 R234 Y238 F240W4-L205 HydrophobicContact CH2-CD1 4.19Å; W4-L205 HydrophobicContact CZ2-CD1 4.24Å; C200-L205 CarbonylContact C-O 3.47Å; C200-L205 HydrophobicContact CB-CB 4.26Å; C200-L205 PolarHBondContact O-N 3.35Å; E203-L205 VanDerWaalsContact C-N 3.35Å; E203-L205 HydrophobicContact CB-CD1 3.2Å; E203-L205 HydrophobicContact CG-CD1 4.28Å; L205-R234 HydrophobicContact CD2-CG 3.79Å; L205-Y238 HydrophobicContact CD2-CD2 3.85Å; L205-Y238 HydrophobicContact CD2-CE2 3.63Å; L205-Y238 HydrophobicContact CG-CE2 4.22Å; L205-F240 HydrophobicContact CB-CE2 3.96Å; L205-F240 HydrophobicContact CD2-CD2 4.37Å; L205-F240 HydrophobicContact CD2-CE2 3.5Å; L205-F240 HydrophobicContact CD2-CZ 3.99Å; L205-F240 HydrophobicContact CG-CE2 4.36Å
206N89.9Confident93.3Very high140 Ų14052 Ų5275%0.74928%0.279SS*.  trans-97.499.5174-158.91.4000110F240N206-F240 WeakPolarHBondContact O-CD2 3.14Å
207L91.7Very high93.2Very high17 Ų1757.7 Ų57.79%0.08931%0.305CS..  trans-91.3119.2178.8-175.974.2000109.7L196 C200 L211 A212 L215 F240L196-L207 HydrophobicContact CB-CD2 3.95Å; C200-L207 HydrophobicContact CB-CB 3.85Å; L207-L211 HydrophobicContact CD1-CD2 3.89Å; L207-L211 HydrophobicContact CD1-CG 4.29Å; L207-A212 HydrophobicContact CD2-CB 3.71Å; L207-A212 HydrophobicContact CG-CB 4.3Å; L207-L215 HydrophobicContact CD1-CD1 4.48Å; L207-F240 HydrophobicContact CD1-CD1 4.4Å; L207-F240 HydrophobicContact CD1-CD2 4.05Å; L207-F240 HydrophobicContact CD1-CE1 4.44Å; L207-F240 HydrophobicContact CD1-CE2 4.05Å; L207-F240 HydrophobicContact CD1-CG 4.22Å; L207-F240 HydrophobicContact CD1-CZ 4.26Å
208P93.4Very high93.1Very high39 Ų3958.5 Ų58.525%0.25330%0.302SS..  trans-68.2143.3176.524.4-27.9000111Q210 L211 A212 F240P208-Q210 VanDerWaalsContact C-N 3.31Å; P208-Q210 PolarHBondContact O-N 3.32Å; P208-L211 HydrophobicContact CG-CB 3.76Å; P208-L211 HydrophobicContact CG-CD2 4.35Å; P208-L211 PolarHBondContact O-N 3.06Å; P208-A212 PolarHBondContact O-N 2.89Å; P208-A212 VanDerWaalsContact O-N 3.09Å; P208-F240 HydrophobicContact CG-CB 4.24Å
209S91.4Very high93Very high86 Ų8656.8 Ų56.860%0.60129%0.292SS*.Hα-helixtrans-60.4-38-176.951.70000113A212 H213S209-A212 WeakPolarHBondContact O-CB 3.46Å; S209-A212 PolarHBondContact O-N 3.45Å; S209-H213 PolarHBondContact O-CD2 3.22Å; S209-H213 PolarHBondContact O-N 3.16Å
210Q93Very high92.9Very high124 Ų12461.5 Ų61.558%0.57932%0.324SS*.Hα-helixtrans-62-43.6176.9-72.3-178-22.400112.2P208 H213 R214 A242P208-Q210 VanDerWaalsContact C-N 3.31Å; P208-Q210 PolarHBondContact O-N 3.32Å; Q210-H213 PolarHBondContact O-N 2.7Å; Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.07Å; Q210-A242 HydrophobicContact CB-CB 4.43Å
211L93.1Very high92.9Very high0 Ų068.6 Ų68.60%035%0.351CS..Hα-helixtrans-66.2-39.8176.7-17761.6000111.1L207 P208 H213 R214 L215 F240 Q244 I246L207-L211 HydrophobicContact CD1-CD2 3.89Å; L207-L211 HydrophobicContact CD1-CG 4.29Å; P208-L211 HydrophobicContact CG-CB 3.76Å; P208-L211 HydrophobicContact CG-CD2 4.35Å; P208-L211 PolarHBondContact O-N 3.06Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 2.75Å; L211-R214 PolarHBondContact O-N 3.42Å; L211-L215 HydrophobicContact CD1-CG 4.43Å; L211-L215 HydrophobicContact CG-CD1 4.09Å; L211-L215 HydrophobicContact CG-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CB 3.38Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 2.84Å; L211-F240 HydrophobicContact CD2-CB 4.03Å; L211-F240 HydrophobicContact CD2-CD1 3.7Å; L211-F240 HydrophobicContact CD2-CE1 4.46Å; L211-F240 HydrophobicContact CD2-CG 4.1Å; L211-Q244 HydrophobicContact CD1-CB 4.28Å; L211-I246 HydrophobicContact CD1-CD1 4.27Å; L211-I246 HydrophobicContact CD1-CG1 4.15Å
212A94.3Very high92.9Very high1 Ų162 Ų621%0.00832%0.324CS..Hα-helixtrans-59.6-43.2176.100000112.1C193 L207 P208 S209 L215 A216C193-A212 HydrophobicContact CB-CB 4.43Å; L207-A212 HydrophobicContact CD2-CB 3.71Å; L207-A212 HydrophobicContact CG-CB 4.3Å; P208-A212 PolarHBondContact O-N 2.89Å; P208-A212 VanDerWaalsContact O-N 3.09Å; S209-A212 WeakPolarHBondContact O-CB 3.46Å; S209-A212 PolarHBondContact O-N 3.45Å; A212-L215 PolarHBondContact O-N 3.12Å; A212-A216 WeakPolarHBondContact O-CB 3.5Å; A212-A216 PolarHBondContact O-N 3.28Å
213H94.8Very high93Very high83 Ų8357.5 Ų57.538%0.38431%0.305SS..Hα-helixtrans-63.3-47.4175-88.1-78.4000112.2S209 Q210 L211 L215 A216 E217S209-H213 PolarHBondContact O-CD2 3.22Å; S209-H213 PolarHBondContact O-N 3.16Å; Q210-H213 PolarHBondContact O-N 2.7Å; L211-H213 VanDerWaalsContact C-N 3.34Å; L211-H213 PolarHBondContact O-N 2.75Å; H213-L215 VanDerWaalsContact C-N 3.31Å; H213-L215 PolarHBondContact O-N 2.68Å; H213-A216 PolarHBondContact O-N 3.38Å; H213-A216 VanDerWaalsContact O-N 3.12Å; H213-E217 WeakPolarHBondContact O-CG 3.47Å; H213-E217 PolarHBondContact O-N 2.88Å
214R94.3Very high93.1Very high94 Ų9461.2 Ų61.236%0.35532%0.317SS..Hα-helixtrans-59-41.8176.5-70.1175.568.4-143.7-2.5112.1Q210 L211 K218 A242 Q244 I246Q210-R214 WeakPolarHBondContact O-CG 3.49Å; Q210-R214 PolarHBondContact O-N 3.07Å; L211-R214 PolarHBondContact O-N 3.42Å; R214-K218 WeakPolarHBondContact O-CB 3.5Å; R214-K218 PolarHBondContact O-N 3.17Å; R214-A242 PolarHBondContact NH1-O 3.16Å; R214-Q244 PolarHBondContact NH1-O 2.77Å; R214-Q244 PolarHBondContact NH2-O 3.19Å; R214-I246 HydrophobicContact CB-CD1 3.93Å
215L93.8Very high93.2Very high0 Ų060 Ų600%029%0.294CS..Hα-helixtrans-62.6-43.9174.8-74.6168.5000111.6L196 L207 L211 A212 H213 S219 M229 C230 I246L196-L215 HydrophobicContact CD1-CB 3.93Å; L196-L215 HydrophobicContact CD1-CD1 4.29Å; L207-L215 HydrophobicContact CD1-CD1 4.48Å; L211-L215 HydrophobicContact CD1-CG 4.43Å; L211-L215 HydrophobicContact CG-CD1 4.09Å; L211-L215 HydrophobicContact CG-CG 4.43Å; L211-L215 WeakPolarHBondContact O-CB 3.38Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.35Å; L211-L215 PolarHBondContact O-N 2.84Å; A212-L215 PolarHBondContact O-N 3.12Å; H213-L215 VanDerWaalsContact C-N 3.31Å; H213-L215 PolarHBondContact O-N 2.68Å; L215-S219 VanDerWaalsContact O-CB 3.29Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 2.98Å; L215-M229 HydrophobicContact CD2-CB 3.7Å; L215-C230 HydrophobicContact CD1-CB 4.05Å; L215-I246 HydrophobicContact CD2-CB 4.44Å; L215-I246 HydrophobicContact CD2-CD1 3.88Å; L215-I246 HydrophobicContact CD2-CG1 3.97Å; L215-I246 HydrophobicContact CD2-CG2 3.6Å; L215-I246 HydrophobicContact CG-CD1 4.11Å
216A94.5Very high93.4Very high0 Ų059.3 Ų59.30%029%0.29CS..Hα-helixtrans-65.5-43179.800000112.1I189 I192 A212 H213 S219I189-A216 HydrophobicContact CD1-CB 4.41Å; I189-A216 HydrophobicContact CG2-CB 3.74Å; I192-A216 HydrophobicContact CB-CB 4Å; I192-A216 HydrophobicContact CG2-CB 3.72Å; A212-A216 WeakPolarHBondContact O-CB 3.5Å; A212-A216 PolarHBondContact O-N 3.28Å; H213-A216 PolarHBondContact O-N 3.38Å; H213-A216 VanDerWaalsContact O-N 3.12Å; A216-S219 PolarHBondContact O-N 3.11Å; A216-S219 PolarHBondContact O-OG 3.29Å
217E93.6Very high93.7Very high121 Ų12153.4 Ų53.457%0.56526%0.258SS*.Hα-helixtrans-62.4-51.2174.6-71.9173.2-17500111.5H213 S219 C220H213-E217 WeakPolarHBondContact O-CG 3.47Å; H213-E217 PolarHBondContact O-N 2.88Å; E217-S219 PolarHBondContact O-N 3.45Å; E217-C220 PolarHBondContact O-N 3.5Å
218K92.9Very high93.8Very high65 Ų6556 Ų5628%0.28327%0.272SS..Hα-helixtrans-64-24.8-179.8-164.6169.9-174175.80113.3R214 C220 M229 I246 E248R214-K218 WeakPolarHBondContact O-CB 3.5Å; R214-K218 PolarHBondContact O-N 3.17Å; K218-C220 PolarHBondContact O-N 3.14Å; K218-M229 HydrophobicContact CD-CE 4.3Å; K218-M229 HydrophobicContact CG-CE 3.96Å; K218-M229 HydrophobicContact CG-SD 4.49Å; K218-I246 HydrophobicContact CD-CB 3.99Å; K218-I246 HydrophobicContact CD-CD1 4.16Å; K218-I246 HydrophobicContact CD-CG2 3.92Å; K218-I246 PolarHBondContact NZ-O 3.46Å; K218-E248 VanDerWaalsContact CE-CD 3.48Å; K218-E248 VanDerWaalsContact CE-CG 3.42Å; K218-E248 WeakPolarHBondContact CE-OE1 3.39Å; K218-E248 VanDerWaalsContact NZ-CG 3.34Å; K218-E248 IonicContact NZ-OE1 3.92Å; K218-E248 PolarHBondContact NZ-OE1 3.14Å
219S92.6Very high93.8Very high1 Ų154.6 Ų54.61%0.00726%0.262CS..THydrogen-bonded Turntrans-72.4-11.4174.881.20000114L215 A216 E217 R221 N222L215-S219 VanDerWaalsContact O-CB 3.29Å; L215-S219 WeakPolarHBondContact O-CB 3.49Å; L215-S219 PolarHBondContact O-N 2.98Å; A216-S219 PolarHBondContact O-N 3.11Å; A216-S219 PolarHBondContact O-OG 3.29Å; E217-S219 PolarHBondContact O-N 3.45Å; S219-R221 VanDerWaalsContact C-N 3.28Å; S219-R221 PolarHBondContact O-N 3.05Å; S219-N222 WeakPolarHBondContact O-CB 3.35Å; S219-N222 PolarHBondContact O-N 3.42Å
220C91.7Very high93.9Very high106 Ų10650.6 Ų50.672%0.71623%0.234SC*.THydrogen-bonded Turntrans52.243.6-175.5-62.10000112.9E217 K218 N222E217-C220 PolarHBondContact O-N 3.5Å; K218-C220 PolarHBondContact O-N 3.14Å; C220-N222 VanDerWaalsContact C-N 3.26Å; C220-N222 PolarHBondContact O-N 3.04Å
221R93.4Very high93.9Very high151 Ų15146.1 Ų46.157%0.5721%0.213SC*.THydrogen-bonded Turntrans6224.5-175.7-57.1-173.4-74.3-170.5-7.8115.1A186 I189 I192 S219A186-R221 HydrophobicContact CB-CB 3.94Å; I189-R221 HydrophobicContact CD1-CG 3.85Å; I192-R221 HydrophobicContact CD1-CB 4.44Å; S219-R221 VanDerWaalsContact C-N 3.28Å; S219-R221 PolarHBondContact O-N 3.05Å
222N95.3Very high93.9Very high39 Ų3948 Ų4821%0.20923%0.229CC..  trans-100.5102.3173-175.5-27.7000110.2G45 S219 C220 R224 K225 A226G45-N222 WeakPolarHBondContact CA-OD1 3.37Å; S219-N222 WeakPolarHBondContact O-CB 3.35Å; S219-N222 PolarHBondContact O-N 3.42Å; C220-N222 VanDerWaalsContact C-N 3.26Å; C220-N222 PolarHBondContact O-N 3.04Å; N222-R224 VanDerWaalsContact C-N 3.3Å; N222-R224 PolarHBondContact O-N 3.13Å; N222-R224 WeakPolarHBondContact OD1-CB 3.39Å; N222-R224 PolarHBondContact OD1-N 3.41Å; N222-R224 VanDerWaalsContact OD1-N 3.16Å; N222-K225 HydrophobicContact CB-CB 3.86Å; N222-K225 WeakPolarHBondContact O-CB 3.48Å; N222-K225 PolarHBondContact O-N 2.98Å; N222-K225 VanDerWaalsContact O-N 3.08Å; N222-K225 PolarHBondContact OD1-N 3.37Å; N222-K225 VanDerWaalsContact OD1-N 3.11Å; N222-A226 PolarHBondContact O-N 2.89Å
223L94.6Very high93.7Very high16 Ų1648 Ų488%0.08423%0.228CC..Hα-helixtrans-61.4-36.9-176.3-177.363.3000113Y18 G45 P187 I192 V195 K225 A226 L227Y18-L223 HydrophobicContact CE1-CD2 3.5Å; Y18-L223 WeakPolarHBondContact OH-CD2 3.43Å; G45-L223 WeakPolarHBondContact O-CB 3.29Å; G45-L223 PolarHBondContact O-N 3.02Å; P187-L223 HydrophobicContact CG-CB 4.18Å; I192-L223 HydrophobicContact CB-CD1 4.44Å; I192-L223 HydrophobicContact CG1-CD1 4.14Å; I192-L223 HydrophobicContact CG2-CD1 4.16Å; V195-L223 HydrophobicContact CB-CD1 4.11Å; V195-L223 HydrophobicContact CG1-CD1 4Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 3.32Å; L223-A226 PolarHBondContact O-N 3.4Å; L223-L227 HydrophobicContact CD1-CD1 4.21Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 WeakPolarHBondContact O-CD1 3.49Å; L223-L227 PolarHBondContact O-N 3.23Å
224R94.9Very high93.6Very high123 Ų12348.5 Ų48.546%0.46423%0.227SC..Hα-helixtrans-61-45.9175.5-177.6-170.9-65.6147.6-5.1110.4V5 N222 L227 L228V5-R224 HydrophobicContact CG1-CG 4.06Å; N222-R224 VanDerWaalsContact C-N 3.3Å; N222-R224 PolarHBondContact O-N 3.13Å; N222-R224 WeakPolarHBondContact OD1-CB 3.39Å; N222-R224 PolarHBondContact OD1-N 3.41Å; N222-R224 VanDerWaalsContact OD1-N 3.16Å; R224-L227 PolarHBondContact O-N 3.32Å; R224-L228 HydrophobicContact CG-CD1 4.13Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 3.34Å; R224-L228 VanDerWaalsContact O-N 3.09Å
225K94.2Very high93.4Very high40 Ų4049.8 Ų49.817%0.17425%0.245CC..Hα-helixtrans-62.8-43.9178.5-162.7-178.5-177.4-165.70110.9N222 L223 L227 L228 M229 E252N222-K225 HydrophobicContact CB-CB 3.86Å; N222-K225 WeakPolarHBondContact O-CB 3.48Å; N222-K225 PolarHBondContact O-N 2.98Å; N222-K225 VanDerWaalsContact O-N 3.08Å; N222-K225 PolarHBondContact OD1-N 3.37Å; N222-K225 VanDerWaalsContact OD1-N 3.11Å; L223-K225 VanDerWaalsContact C-N 3.33Å; L223-K225 PolarHBondContact O-N 3.32Å; K225-L227 PolarHBondContact O-N 3.12Å; K225-L228 PolarHBondContact O-N 3.24Å; K225-M229 HydrophobicContact CD-CE 4.14Å; K225-M229 HydrophobicContact CD-SD 4.44Å; K225-M229 HydrophobicContact CG-CE 4.13Å; K225-M229 HydrophobicContact CG-CG 4.47Å; K225-M229 HydrophobicContact CG-SD 3.99Å; K225-M229 WeakPolarHBondContact O-CB 3.38Å; K225-M229 VanDerWaalsContact O-CG 3.25Å; K225-M229 WeakPolarHBondContact O-CG 3.28Å; K225-M229 PolarHBondContact O-N 3.3Å; K225-E252 VanDerWaalsContact CE-OE1 3.25Å; K225-E252 WeakPolarHBondContact CE-OE1 3.25Å; K225-E252 WeakPolarHBondContact CE-OE2 3.39Å; K225-E252 IonicContact NZ-OE1 3.76Å; K225-E252 PolarHBondContact NZ-OE1 3.28Å; K225-E252 IonicContact NZ-OE2 3.42Å; K225-E252 PolarHBondContact NZ-OE2 3.33Å
226A94.8Very high93.2Very high0 Ų055.2 Ų55.20%027%0.271CS..Hα-helixtrans-58.7-46177.400000112.8I192 L196 N222 L223 M229 C230I192-A226 HydrophobicContact CG2-CB 3.65Å; L196-A226 HydrophobicContact CD1-CB 4.39Å; L196-A226 HydrophobicContact CD2-CB 4.39Å; N222-A226 PolarHBondContact O-N 2.89Å; L223-A226 PolarHBondContact O-N 3.4Å; A226-M229 PolarHBondContact O-N 3.24Å; A226-C230 WeakPolarHBondContact O-CB 3.46Å; A226-C230 PolarHBondContact O-N 3.08Å
227L94.6Very high92.9Very high15 Ų1559.7 Ų59.78%0.07929%0.291CS..Hα-helixtrans-63.5-44.7177.7-79.6152.1000112.1V5 L196 V199 L223 R224 K225 C230 E231V5-L227 HydrophobicContact CG2-CB 3.76Å; L196-L227 HydrophobicContact CD2-CD2 4.34Å; L196-L227 HydrophobicContact CD2-CG 4.32Å; V199-L227 HydrophobicContact CB-CD2 4.41Å; V199-L227 HydrophobicContact CG1-CD2 4.25Å; V199-L227 HydrophobicContact CG2-CD2 4.01Å; L223-L227 HydrophobicContact CD1-CD1 4.21Å; L223-L227 HydrophobicContact CG-CD1 3.91Å; L223-L227 WeakPolarHBondContact O-CD1 3.49Å; L223-L227 PolarHBondContact O-N 3.23Å; R224-L227 PolarHBondContact O-N 3.32Å; K225-L227 PolarHBondContact O-N 3.12Å; L227-C230 PolarHBondContact O-N 3.17Å; L227-E231 PolarHBondContact O-N 3.4Å
228L94.9Very high92.6Very high72 Ų7260.3 Ų60.338%0.37729%0.289SS..Hα-helixtrans-64.8-41.4177.2-69.7172.5000111.9L3 V5 R224 K225 C230 E231 A232L3-L228 HydrophobicContact CD1-CD2 4.41Å; V5-L228 HydrophobicContact CG2-CD2 3.66Å; V5-L228 HydrophobicContact CG2-CG 3.76Å; R224-L228 HydrophobicContact CG-CD1 4.13Å; R224-L228 WeakPolarHBondContact O-CG 3.3Å; R224-L228 PolarHBondContact O-N 3.34Å; R224-L228 VanDerWaalsContact O-N 3.09Å; K225-L228 PolarHBondContact O-N 3.24Å; L228-C230 VanDerWaalsContact C-N 3.34Å; L228-E231 PolarHBondContact O-N 3.16Å; L228-A232 VanDerWaalsContact O-CB 3.32Å; L228-A232 WeakPolarHBondContact O-CB 3.33Å; L228-A232 PolarHBondContact O-N 3Å
229M93.1Very high92.3Very high10 Ų1061.5 Ų61.55%0.04930%0.304CS..Hα-helixtrans-61.7-42.8174.9-75.517015200111.4L215 K218 K225 A226 A232 C233 I246L215-M229 HydrophobicContact CD2-CB 3.7Å; K218-M229 HydrophobicContact CD-CE 4.3Å; K218-M229 HydrophobicContact CG-CE 3.96Å; K218-M229 HydrophobicContact CG-SD 4.49Å; K225-M229 HydrophobicContact CD-CE 4.14Å; K225-M229 HydrophobicContact CD-SD 4.44Å; K225-M229 HydrophobicContact CG-CE 4.13Å; K225-M229 HydrophobicContact CG-CG 4.47Å; K225-M229 HydrophobicContact CG-SD 3.99Å; K225-M229 WeakPolarHBondContact O-CB 3.38Å; K225-M229 VanDerWaalsContact O-CG 3.25Å; K225-M229 WeakPolarHBondContact O-CG 3.28Å; K225-M229 PolarHBondContact O-N 3.3Å; A226-M229 PolarHBondContact O-N 3.24Å; M229-A232 PolarHBondContact O-N 3.34Å; M229-C233 PolarHBondContact O-N 3.16Å; M229-C233 PolarHBondContact O-SG 3.4Å; M229-I246 HydrophobicContact CB-CG2 4.11Å; M229-I246 HydrophobicContact CG-CG2 4.28Å; M229-I246 HydrophobicContact SD-CG2 4.46Å
230C92.9Very high92.2Very high1 Ų162.4 Ų62.41%0.00731%0.308CS..Hα-helixtrans-63.4-42.8176.9-171.50000112.1L196 L215 A226 L227 L228 R234L196-C230 HydrophobicContact CD2-CB 3.9Å; L215-C230 HydrophobicContact CD1-CB 4.05Å; A226-C230 WeakPolarHBondContact O-CB 3.46Å; A226-C230 PolarHBondContact O-N 3.08Å; L227-C230 PolarHBondContact O-N 3.17Å; L228-C230 VanDerWaalsContact C-N 3.34Å; C230-R234 PolarHBondContact O-N 3.06Å
231E93Very high92.1Very high30 Ų3060.3 Ų60.314%0.1429%0.292CS..Hα-helixtrans-64.6-42.2176.5-167.6169.6179.700111W4 L227 L228 R234 V235W4-E231 WeakPolarHBondContact CB-OE2 3.33Å; W4-E231 HydrophobicContact CD2-CB 3.99Å; W4-E231 HydrophobicContact CD2-CG 3.75Å; W4-E231 HydrophobicContact CE3-CB 3.61Å; W4-E231 HydrophobicContact CE3-CG 3.9Å; W4-E231 HydrophobicContact CG-CG 4.11Å; W4-E231 HydrophobicContact CZ3-CB 4.07Å; W4-E231 HydrophobicContact CZ3-CG 4.43Å; W4-E231 PolarHBondContact N-OE2 2.97Å; L227-E231 PolarHBondContact O-N 3.4Å; L228-E231 PolarHBondContact O-N 3.16Å; E231-R234 WeakPolarHBondContact O-CB 3.08Å; E231-R234 PolarHBondContact O-N 3.32Å; E231-V235 WeakPolarHBondContact O-CG2 3.41Å; E231-V235 PolarHBondContact O-N 2.83Å; E231-V235 VanDerWaalsContact O-N 3.16Å
232A92.8Very high91.7Very high40 Ų4054.4 Ų54.433%0.33128%0.275SS..Hα-helixtrans-65.2-42.2176.900000112.8L228 M229 R234 V235 Q236 P247L228-A232 VanDerWaalsContact O-CB 3.32Å; L228-A232 WeakPolarHBondContact O-CB 3.33Å; L228-A232 PolarHBondContact O-N 3Å; M229-A232 PolarHBondContact O-N 3.34Å; A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3Å; A232-V235 PolarHBondContact O-N 2.97Å; A232-Q236 PolarHBondContact O-N 3.35Å; A232-P247 HydrophobicContact CB-CG 3.6Å
233C91.8Very high91.3Very high0 Ų059.3 Ų59.30%030%0.301CS..Hα-helixtrans-55.7-44.8174.3-68.50000111.1M229 V235 Q236 Q237 F240 Q244 P247M229-C233 PolarHBondContact O-N 3.16Å; M229-C233 PolarHBondContact O-SG 3.4Å; C233-V235 PolarHBondContact O-N 3.33Å; C233-Q236 PolarHBondContact O-N 2.96Å; C233-Q237 PolarHBondContact O-N 3.23Å; C233-F240 HydrophobicContact CB-CE1 4.03Å; C233-Q244 PolarHBondContact O-NE2 3.32Å; C233-P247 VanDerWaalsContact SG-CD 3.59Å
234R91.1Very high91Very high94 Ų9458.7 Ų58.736%0.35530%0.298SS..Hα-helixtrans-61.5-44178.9177.8-170.9172.7-145.27.5112.1W4 L205 C230 E231 A232 Q236 F240W4-R234 HydrophobicContact CH2-CB 4.32Å; W4-R234 HydrophobicContact CH2-CG 4.45Å; W4-R234 VanDerWaalsContact CZ2-CD 3.41Å; L205-R234 HydrophobicContact CD2-CG 3.79Å; C230-R234 PolarHBondContact O-N 3.06Å; E231-R234 WeakPolarHBondContact O-CB 3.08Å; E231-R234 PolarHBondContact O-N 3.32Å; A232-R234 VanDerWaalsContact C-N 3.27Å; A232-R234 PolarHBondContact O-N 3Å; R234-Q236 VanDerWaalsContact C-N 3.31Å; R234-F240 HydrophobicContact CB-CE1 4.09Å; R234-F240 HydrophobicContact CB-CZ 3.84Å; R234-F240 HydrophobicContact CG-CZ 4.48Å
235V90.6Very high90.7Very high122 Ų12260 Ų6074%0.73931%0.31SS*.Hα-helixtrans-66.4-37.5-177.8173.50000110.8E231 A232 C233E231-V235 WeakPolarHBondContact O-CG2 3.41Å; E231-V235 PolarHBondContact O-N 2.83Å; E231-V235 VanDerWaalsContact O-N 3.16Å; A232-V235 PolarHBondContact O-N 2.97Å; C233-V235 PolarHBondContact O-N 3.33Å
236Q89.3Confident90.4Very high114 Ų11458.5 Ų58.553%0.53330%0.303SS..Hα-helixtrans-73.5-47.1179.3-174.6177.8-1.900112.5A232 C233 R234A232-Q236 PolarHBondContact O-N 3.35Å; C233-Q236 PolarHBondContact O-N 2.96Å; R234-Q236 VanDerWaalsContact C-N 3.31Å
237Q88.6Confident90.2Very high93 Ų9360.2 Ų60.244%0.43531%0.314SS..  trans-150.2125.1-177.6177.6-177.6-2.600111.1C233 Q244C233-Q237 PolarHBondContact O-N 3.23Å; Q237-Q244 PolarHBondContact O-NE2 3.31Å
238Y87.1Confident89.9Confident134 Ų13461.9 Ų61.953%0.52532%0.322SS..SBendtrans-135.2135.7169.7-179.2-100.6000108.7L205L205-Y238 HydrophobicContact CD2-CD2 3.85Å; L205-Y238 HydrophobicContact CD2-CE2 3.63Å; L205-Y238 HydrophobicContact CG-CE2 4.22Å
239P86.9Confident89.7Confident91 Ų9161.4 Ų61.459%0.59132%0.322SS*.SBendcis-69.5157.57.4-20.834.9000116.1
240F90.6Very high89.7Confident20 Ų2067.7 Ų67.79%0.08836%0.356CS..  trans-67.7135.5174.5-68.2-60.3000111.5L205 N206 L207 P208 L211 C233 R234L205-F240 HydrophobicContact CB-CE2 3.96Å; L205-F240 HydrophobicContact CD2-CD2 4.37Å; L205-F240 HydrophobicContact CD2-CE2 3.5Å; L205-F240 HydrophobicContact CD2-CZ 3.99Å; L205-F240 HydrophobicContact CG-CE2 4.36Å; N206-F240 WeakPolarHBondContact O-CD2 3.14Å; L207-F240 HydrophobicContact CD1-CD1 4.4Å; L207-F240 HydrophobicContact CD1-CD2 4.05Å; L207-F240 HydrophobicContact CD1-CE1 4.44Å; L207-F240 HydrophobicContact CD1-CE2 4.05Å; L207-F240 HydrophobicContact CD1-CG 4.22Å; L207-F240 HydrophobicContact CD1-CZ 4.26Å; P208-F240 HydrophobicContact CG-CB 4.24Å; L211-F240 HydrophobicContact CD2-CB 4.03Å; L211-F240 HydrophobicContact CD2-CD1 3.7Å; L211-F240 HydrophobicContact CD2-CE1 4.46Å; L211-F240 HydrophobicContact CD2-CG 4.1Å; C233-F240 HydrophobicContact CB-CE1 4.03Å; R234-F240 HydrophobicContact CB-CE1 4.09Å; R234-F240 HydrophobicContact CB-CZ 3.84Å; R234-F240 HydrophobicContact CG-CZ 4.48Å
241T89.6Confident89.8Confident62 Ų6271.7 Ų71.738%0.3837%0.371SS..  trans-116.9160.2172.259.40000110.4D243 Q244T241-D243 VanDerWaalsContact C-N 3.34Å; T241-D243 PolarHBondContact O-N 3.04Å; T241-Q244 PolarHBondContact OG1-N 3.34Å
242A85.9Confident89.8Confident27 Ų2771.9 Ų71.922%0.22337%0.372CS..THydrogen-bonded Turntrans-63.8-40.1179.600000112.5Q210 R214Q210-A242 HydrophobicContact CB-CB 4.43Å; R214-A242 PolarHBondContact NH1-O 3.16Å
243D87.1Confident89.9Confident141 Ų14172.6 Ų72.675%0.75437%0.372SS*.THydrogen-bonded Turntrans-9718.5-174.5-58.8-45.6000113.6T241 E245T241-D243 VanDerWaalsContact C-N 3.34Å; T241-D243 PolarHBondContact O-N 3.04Å; D243-E245 PolarHBondContact O-N 3.4Å
244Q87.4Confident90.1Very high3 Ų375.9 Ų75.91%0.01439%0.385CS..  trans-57141.3179.1-169.6171.3-6.700111.4L211 R214 C233 Q237 T241 I246L211-Q244 HydrophobicContact CD1-CB 4.28Å; R214-Q244 PolarHBondContact NH1-O 2.77Å; R214-Q244 PolarHBondContact NH2-O 3.19Å; C233-Q244 PolarHBondContact O-NE2 3.32Å; Q237-Q244 PolarHBondContact O-NE2 3.31Å; T241-Q244 PolarHBondContact OG1-N 3.34Å; Q244-I246 PolarHBondContact O-N 3.13Å
245E88Confident90.3Very high152 Ų15271.7 Ų71.771%0.7137%0.369SS*.  trans-74.5124.1171.9-170.4166.9-16400109.5D243 P247D243-E245 PolarHBondContact O-N 3.4Å; E245-P247 WeakPolarHBondContact O-CD 3.23Å
246I89Confident90.5Very high7 Ų769.5 Ų69.54%0.03635%0.348CS..  trans-91.3112.9-177.8-59.5164.3000107.6L211 R214 L215 K218 M229 Q244L211-I246 HydrophobicContact CD1-CD1 4.27Å; L211-I246 HydrophobicContact CD1-CG1 4.15Å; R214-I246 HydrophobicContact CB-CD1 3.93Å; L215-I246 HydrophobicContact CD2-CB 4.44Å; L215-I246 HydrophobicContact CD2-CD1 3.88Å; L215-I246 HydrophobicContact CD2-CG1 3.97Å; L215-I246 HydrophobicContact CD2-CG2 3.6Å; L215-I246 HydrophobicContact CG-CD1 4.11Å; K218-I246 HydrophobicContact CD-CB 3.99Å; K218-I246 HydrophobicContact CD-CD1 4.16Å; K218-I246 HydrophobicContact CD-CG2 3.92Å; K218-I246 PolarHBondContact NZ-O 3.46Å; M229-I246 HydrophobicContact CB-CG2 4.11Å; M229-I246 HydrophobicContact CG-CG2 4.28Å; M229-I246 HydrophobicContact SD-CG2 4.46Å; Q244-I246 PolarHBondContact O-N 3.13Å
247P89.6Confident90.8Very high36 Ų3668.7 Ų68.723%0.23434%0.344CS..  trans-63142.3178.227.6-34.1000110.2A232 C233 E245A232-P247 HydrophobicContact CB-CG 3.6Å; C233-P247 VanDerWaalsContact SG-CD 3.59Å; E245-P247 WeakPolarHBondContact O-CD 3.23Å
248E88.8Confident91.1Very high50 Ų5064.2 Ų64.223%0.23432%0.323CS..  trans-107.4165.3173.7-66.1177.1-164.800109.8K218 V253 R256K218-E248 VanDerWaalsContact CE-CD 3.48Å; K218-E248 VanDerWaalsContact CE-CG 3.42Å; K218-E248 WeakPolarHBondContact CE-OE1 3.39Å; K218-E248 VanDerWaalsContact NZ-CG 3.34Å; K218-E248 IonicContact NZ-OE1 3.92Å; K218-E248 PolarHBondContact NZ-OE1 3.14Å; E248-V253 HydrophobicContact CB-CG2 4.09Å; E248-R256 IonicContact OE1-NH1 2.65Å; E248-R256 IonicContact OE1-NH2 3.79Å; E248-R256 IonicContact OE2-CZ 2.72Å; E248-R256 IonicContact OE2-NH1 3.71Å; E248-R256 PolarHBondContact OE2-NH1 3.04Å; E248-R256 IonicContact OE2-NH2 3.67Å; E248-R256 PolarHBondContact OE2-NH2 3.35Å
249T91.1Very high91.5Very high62 Ų6257.9 Ų57.938%0.3830%0.298SS..  trans-72.4142.6175.348.50000110.8W251 E252 V253T249-W251 PolarHBondContact O-N 3.37Å; T249-W251 VanDerWaalsContact O-N 3.08Å; T249-W251 PolarHBondContact OG1-NE1 3.01Å; T249-W251 VanDerWaalsContact OG1-NE1 3.1Å; T249-E252 WeakPolarHBondContact O-CB 3.49Å; T249-E252 PolarHBondContact O-N 3.44Å; T249-E252 WeakPolarHBondContact OG1-CG 3.49Å; T249-V253 PolarHBondContact O-N 3.09Å
250D93.2Very high91.9Very high143 Ų14356.8 Ų56.877%0.76529%0.287SS*.Hα-helixtrans-48.4-43.1-175.7-53.3-25.5000113.6E252 V253 Y254D250-E252 VanDerWaalsContact C-N 3.34Å; D250-E252 PolarHBondContact O-N 3.2Å; D250-V253 PolarHBondContact O-N 2.88Å; D250-Y254 WeakPolarHBondContact O-CB 3.49Å; D250-Y254 PolarHBondContact O-N 3.37Å
251W94.6Very high92.1Very high84 Ų8456.6 Ų56.632%0.31829%0.29SS..Hα-helixtrans-69.2-27.4-179.572-89.8000114.2T249 L255 L281 I286 I290T249-W251 PolarHBondContact O-N 3.37Å; T249-W251 VanDerWaalsContact O-N 3.08Å; T249-W251 PolarHBondContact OG1-NE1 3.01Å; T249-W251 VanDerWaalsContact OG1-NE1 3.1Å; W251-L255 HydrophobicContact CE3-CD2 4.44Å; W251-L255 HydrophobicContact CZ3-CD2 4.14Å; W251-L255 WeakPolarHBondContact O-CB 3.31Å; W251-L255 PolarHBondContact O-N 3.29Å; W251-L281 HydrophobicContact CB-CD2 4.38Å; W251-I286 HydrophobicContact CB-CD1 3.31Å; W251-I286 HydrophobicContact CD2-CD1 4.2Å; W251-I286 HydrophobicContact CE3-CD1 4.41Å; W251-I286 HydrophobicContact CE3-CG2 4.49Å; W251-I286 HydrophobicContact CG-CD1 3.76Å; W251-I290 HydrophobicContact CH2-CG2 3.59Å; W251-I290 HydrophobicContact CZ3-CG2 3.64Å
252E92.6Very high92.3Very high34 Ų3453.7 Ų53.716%0.15927%0.272CS..Hα-helixtrans-70.9-42.6175.4-74.4-173.1168.300110.1K225 T249 D250 L255 R256K225-E252 VanDerWaalsContact CE-OE1 3.25Å; K225-E252 WeakPolarHBondContact CE-OE1 3.25Å; K225-E252 WeakPolarHBondContact CE-OE2 3.39Å; K225-E252 IonicContact NZ-OE1 3.76Å; K225-E252 PolarHBondContact NZ-OE1 3.28Å; K225-E252 IonicContact NZ-OE2 3.42Å; K225-E252 PolarHBondContact NZ-OE2 3.33Å; T249-E252 WeakPolarHBondContact O-CB 3.49Å; T249-E252 PolarHBondContact O-N 3.44Å; T249-E252 WeakPolarHBondContact OG1-CG 3.49Å; D250-E252 VanDerWaalsContact C-N 3.34Å; D250-E252 PolarHBondContact O-N 3.2Å; E252-L255 PolarHBondContact O-N 2.96Å; E252-R256 WeakPolarHBondContact O-CB 3.45Å; E252-R256 PolarHBondContact O-N 3.18Å
253V94.3Very high92.7Very high56 Ų5653.7 Ų53.734%0.33927%0.269SS..Hα-helixtrans-62.5-49.3173.9-177.60000109.9E248 T249 D250 L255 R256 E257E248-V253 HydrophobicContact CB-CG2 4.09Å; T249-V253 PolarHBondContact O-N 3.09Å; D250-V253 PolarHBondContact O-N 2.88Å; V253-L255 VanDerWaalsContact C-N 3.31Å; V253-L255 PolarHBondContact O-N 2.87Å; V253-R256 WeakPolarHBondContact O-CB 3.47Å; V253-R256 PolarHBondContact O-N 3.44Å; V253-R256 VanDerWaalsContact O-N 3.17Å; V253-E257 WeakPolarHBondContact O-CG 3.48Å; V253-E257 PolarHBondContact O-N 3.46Å
254Y96.3Very high92.9Very high68 Ų6850.3 Ų50.327%0.26726%0.257SS..Hα-helixtrans-60.8-39.6-179.9-164.9-90.7000112.5D250 T258 R277 E280 L281D250-Y254 WeakPolarHBondContact O-CB 3.49Å; D250-Y254 PolarHBondContact O-N 3.37Å; Y254-T258 WeakPolarHBondContact O-CB 3.32Å; Y254-T258 PolarHBondContact O-N 3.18Å; Y254-T258 PolarHBondContact O-OG1 3.13Å; Y254-R277 HydrophobicContact CE1-CB 3.76Å; Y254-R277 HydrophobicContact CE1-CG 4.2Å; Y254-R277 PolarHBondContact O-NH2 3.21Å; Y254-E280 HydrophobicContact CE1-CB 4.14Å; Y254-L281 HydrophobicContact CD1-CD1 4.28Å; Y254-L281 HydrophobicContact CD1-CD2 3.78Å; Y254-L281 HydrophobicContact CD1-CG 3.83Å; Y254-L281 HydrophobicContact CE1-CG 4.12Å
255L95.6Very high93.2Very high6 Ų654.5 Ų54.53%0.03128%0.276CS..Hα-helixtrans-68.4-41.2176.3-176.563.3000111.8W251 E252 V253 T258 A259 L281 I291 L295W251-L255 HydrophobicContact CE3-CD2 4.44Å; W251-L255 HydrophobicContact CZ3-CD2 4.14Å; W251-L255 WeakPolarHBondContact O-CB 3.31Å; W251-L255 PolarHBondContact O-N 3.29Å; E252-L255 PolarHBondContact O-N 2.96Å; V253-L255 VanDerWaalsContact C-N 3.31Å; V253-L255 PolarHBondContact O-N 2.87Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.86Å; L255-A259 PolarHBondContact O-N 3.24Å; L255-L281 HydrophobicContact CD1-CD1 3.77Å; L255-I291 HydrophobicContact CD1-CG2 3.92Å; L255-L295 HydrophobicContact CD1-CB 4.28Å; L255-L295 HydrophobicContact CD1-CD1 4.28Å
256R94.9Very high93.5Very high76 Ų7649 Ų4929%0.28725%0.25SS..Hα-helixtrans-61.8-48.4176.2-176.1174.1-50.2110.910.8111.9E248 E252 V253 T258 A259 N260 E298E248-R256 IonicContact OE1-NH1 2.65Å; E248-R256 IonicContact OE1-NH2 3.79Å; E248-R256 IonicContact OE2-CZ 2.72Å; E248-R256 IonicContact OE2-NH1 3.71Å; E248-R256 PolarHBondContact OE2-NH1 3.04Å; E248-R256 IonicContact OE2-NH2 3.67Å; E248-R256 PolarHBondContact OE2-NH2 3.35Å; E252-R256 WeakPolarHBondContact O-CB 3.45Å; E252-R256 PolarHBondContact O-N 3.18Å; V253-R256 WeakPolarHBondContact O-CB 3.47Å; V253-R256 PolarHBondContact O-N 3.44Å; V253-R256 VanDerWaalsContact O-N 3.17Å; R256-T258 PolarHBondContact O-N 3.4Å; R256-A259 WeakPolarHBondContact O-CB 3.4Å; R256-A259 PolarHBondContact O-N 2.99Å; R256-A259 VanDerWaalsContact O-N 3.13Å; R256-N260 PolarHBondContact O-N 2.94Å; R256-N260 PolarHBondContact O-ND2 3.07Å; R256-E298 HydrophobicContact CG-CG 3.97Å; R256-E298 WeakPolarHBondContact CG-OE1 3.3Å; R256-E298 IonicContact NE-OE2 2.71Å
257E95.4Very high93.7Very high97 Ų9751.3 Ų51.345%0.45327%0.265SS..Hα-helixtrans-59.4-37.6173.8-72.5178.9171.700112.2V253 N260 A261 R277V253-E257 WeakPolarHBondContact O-CG 3.48Å; V253-E257 PolarHBondContact O-N 3.46Å; E257-N260 PolarHBondContact O-N 2.65Å; E257-A261 WeakPolarHBondContact O-CB 3.34Å; E257-A261 PolarHBondContact O-N 3.11Å; E257-R277 VanDerWaalsContact CB-NH2 3.28Å; E257-R277 IonicContact OE2-CZ 2.74Å; E257-R277 IonicContact OE2-NH1 3.55Å; E257-R277 IonicContact OE2-NH2 2.71Å; E257-R277 PolarHBondContact OE2-NH2 3.22Å
258T95.9Very high94Very high0 Ų055 Ų550%029%0.289CS..Hα-helixtrans-62.1-44.8175-54.10000110.7Y254 L255 R256 A261 I262 V274 R277Y254-T258 WeakPolarHBondContact O-CB 3.32Å; Y254-T258 PolarHBondContact O-N 3.18Å; Y254-T258 PolarHBondContact O-OG1 3.13Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.86Å; R256-T258 PolarHBondContact O-N 3.4Å; T258-A261 PolarHBondContact O-N 3.25Å; T258-I262 HydrophobicContact CG2-CD1 4.45Å; T258-I262 VanDerWaalsContact O-CG1 3.28Å; T258-I262 WeakPolarHBondContact O-CG1 3.39Å; T258-I262 PolarHBondContact O-N 2.71Å; T258-I262 VanDerWaalsContact O-N 3.09Å; T258-V274 HydrophobicContact CG2-CG1 4Å; T258-R277 HydrophobicContact CG2-CB 4.01Å; T258-R277 PolarHBondContact OG1-NE 2.95Å
259A95.3Very high94.4Very high0 Ų060 Ų600%031%0.312CS..Hα-helixtrans-61.5-44.9175.900000111.9L255 R256 A261 I262 V263 L295 E298 L299L255-A259 PolarHBondContact O-N 3.24Å; R256-A259 WeakPolarHBondContact O-CB 3.4Å; R256-A259 PolarHBondContact O-N 2.99Å; R256-A259 VanDerWaalsContact O-N 3.13Å; A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 2.85Å; A259-I262 WeakPolarHBondContact O-CB 3.37Å; A259-I262 PolarHBondContact O-N 2.93Å; A259-I262 VanDerWaalsContact O-N 3.14Å; A259-V263 WeakPolarHBondContact O-CG2 3.33Å; A259-V263 PolarHBondContact O-N 2.97Å; A259-V263 VanDerWaalsContact O-N 3.08Å; A259-L295 HydrophobicContact CB-CD1 3.68Å; A259-E298 HydrophobicContact CB-CB 3.55Å; A259-E298 HydrophobicContact CB-CG 3.53Å; A259-L299 HydrophobicContact CB-CD2 4.27Å
260N94.6Very high94.6Very high68 Ų6859.4 Ų59.436%0.36430%0.303SS..Hα-helixtrans-63.1-38.5177.6-69.1-22000111.8R256 E257 I262 V263 S264 N302R256-N260 PolarHBondContact O-N 2.94Å; R256-N260 PolarHBondContact O-ND2 3.07Å; E257-N260 PolarHBondContact O-N 2.65Å; N260-I262 VanDerWaalsContact C-N 3.33Å; N260-I262 PolarHBondContact O-N 2.79Å; N260-V263 PolarHBondContact O-N 3.39Å; N260-S264 WeakPolarHBondContact O-CB 3.05Å; N260-S264 PolarHBondContact O-N 3.42Å; N260-N302 PolarHBondContact OD1-ND2 3Å
261A94.6Very high94.7Very high17 Ų1754.1 Ų54.114%0.1428%0.275CS..Hα-helixtrans-62.1-39.4173.900000112.1E257 T258 A259 V263 S264E257-A261 WeakPolarHBondContact O-CB 3.34Å; E257-A261 PolarHBondContact O-N 3.11Å; T258-A261 PolarHBondContact O-N 3.25Å; A259-A261 VanDerWaalsContact C-N 3.32Å; A259-A261 PolarHBondContact O-N 2.85Å; A261-V263 VanDerWaalsContact C-N 3.35Å; A261-S264 PolarHBondContact O-N 3.03Å; A261-S264 PolarHBondContact O-OG 3.27Å
262I94.8Very high94.8Very high0 Ų056.1 Ų56.10%029%0.291CS..Hα-helixtrans-63.8-39.8175.8-65164.8000111.6T258 A259 N260 Q266 V274 L295 L299 V336 F339 M340T258-I262 HydrophobicContact CG2-CD1 4.45Å; T258-I262 VanDerWaalsContact O-CG1 3.28Å; T258-I262 WeakPolarHBondContact O-CG1 3.39Å; T258-I262 PolarHBondContact O-N 2.71Å; T258-I262 VanDerWaalsContact O-N 3.09Å; A259-I262 WeakPolarHBondContact O-CB 3.37Å; A259-I262 PolarHBondContact O-N 2.93Å; A259-I262 VanDerWaalsContact O-N 3.14Å; N260-I262 VanDerWaalsContact C-N 3.33Å; N260-I262 PolarHBondContact O-N 2.79Å; I262-Q266 PolarHBondContact O-NE2 3.38Å; I262-V274 HydrophobicContact CD1-CG1 3.91Å; I262-V274 HydrophobicContact CG1-CB 4.42Å; I262-V274 HydrophobicContact CG1-CG1 3.83Å; I262-V274 HydrophobicContact CG1-CG2 3.7Å; I262-L295 HydrophobicContact CD1-CD1 3.74Å; I262-L295 HydrophobicContact CD1-CD2 4.09Å; I262-L295 HydrophobicContact CD1-CG 4.32Å; I262-L299 HydrophobicContact CB-CD2 4.34Å; I262-L299 HydrophobicContact CG2-CD2 4.18Å; I262-V336 HydrophobicContact CD1-CG1 3.86Å; I262-V336 HydrophobicContact CD1-CG2 3.87Å; I262-V336 HydrophobicContact CG1-CG1 3.92Å; I262-V336 HydrophobicContact CG2-CG1 4.19Å; I262-F339 HydrophobicContact CG2-CD1 3.48Å; I262-F339 VanDerWaalsContact CG2-CD1 3.48Å; I262-F339 HydrophobicContact CG2-CE1 3.66Å; I262-M340 HydrophobicContact CB-CE 4.17Å; I262-M340 HydrophobicContact CG1-CE 4.08Å; I262-M340 HydrophobicContact CG2-CE 3.92Å; I262-M340 HydrophobicContact CG2-CG 3.99Å
263V93.1Very high94.9Very high27 Ų2759.2 Ų59.216%0.16431%0.306CS..Hα-helixtrans-73-33.2178.8175.80000111.5A259 N260 A261 Q265 Q266 L299 N302 Y343A259-V263 WeakPolarHBondContact O-CG2 3.33Å; A259-V263 PolarHBondContact O-N 2.97Å; A259-V263 VanDerWaalsContact O-N 3.08Å; N260-V263 PolarHBondContact O-N 3.39Å; A261-V263 VanDerWaalsContact C-N 3.35Å; V263-Q265 PolarHBondContact O-N 2.96Å; V263-Q266 PolarHBondContact O-NE2 2.86Å; V263-L299 HydrophobicContact CG2-CD2 3.63Å; V263-N302 HydrophobicContact CG1-CB 4.11Å; V263-N302 HydrophobicContact CG2-CB 4.03Å; V263-Y343 HydrophobicContact CG1-CE1 4.23Å
264S92.7Very high95.1Very high71 Ų7156.6 Ų56.650%0.49729%0.289SS..Hα-helixtrans-66.2-37.8-176720000114.1N260 A261N260-S264 WeakPolarHBondContact O-CB 3.05Å; N260-S264 PolarHBondContact O-N 3.42Å; A261-S264 PolarHBondContact O-N 3.03Å; A261-S264 PolarHBondContact O-OG 3.27Å
265Q92.9Very high95.1Very high91 Ų9157.6 Ų57.643%0.42529%0.293SS..  trans-149.4132.9-173.7-68.9-178.4-9.500112V263 R270V263-Q265 PolarHBondContact O-N 2.96Å; Q265-R270 HydrophobicContact CB-CB 4.24Å; Q265-R270 HydrophobicContact CB-CG 4.11Å; Q265-R270 VanDerWaalsContact CD-NH2 3.3Å; Q265-R270 WeakPolarHBondContact O-CG 3.24Å; Q265-R270 VanDerWaalsContact OE1-NE 3.13Å
266Q93.3Very high95.1Very high35 Ų3559.1 Ų59.116%0.16431%0.31CS..  trans-11263.5179.7-63.174.131.800111.2I262 V263 M340 Y343 K344I262-Q266 PolarHBondContact O-NE2 3.38Å; V263-Q266 PolarHBondContact O-NE2 2.86Å; Q266-M340 HydrophobicContact CB-CB 4.32Å; Q266-M340 HydrophobicContact CG-CB 4.15Å; Q266-M340 HydrophobicContact CG-CG 4.33Å; Q266-Y343 HydrophobicContact CG-CD1 4.35Å; Q266-K344 HydrophobicContact CB-CB 3.86Å; Q266-K344 HydrophobicContact CB-CD 4.03Å; Q266-K344 HydrophobicContact CB-CG 4.3Å; Q266-K344 HydrophobicContact CG-CB 4.06Å
267T95Very high95.2Very high57 Ų5758.2 Ų58.235%0.3531%0.307SS..SBendtrans-120.6155.3176.368.10000111.8Q269 R270 L271T267-Q269 PolarHBondContact O-N 3.16Å; T267-R270 PolarHBondContact O-N 2.92Å; T267-R270 VanDerWaalsContact O-N 3.15Å; T267-R270 PolarHBondContact OG1-N 3.37Å; T267-L271 PolarHBondContact O-N 3.05Å
268P95.6Very high95.2Very high112 Ų11253.6 Ų53.673%0.72729%0.285SS*.Hα-helixtrans-60.8-30.6176.4-24.634.9000113.8L271 L272P268-L271 PolarHBondContact O-N 3.19Å; P268-L272 PolarHBondContact O-N 3.21Å; P268-L272 VanDerWaalsContact O-N 3.15Å
269Q95.6Very high95.3Very high156 Ų15658.1 Ų58.173%0.72930%0.303SS*.Hα-helixtrans-64.6-45.1175.2-67.7173.2-1.900110.9T267 L271 L272 E273T267-Q269 PolarHBondContact O-N 3.16Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.23Å; Q269-L272 WeakPolarHBondContact O-CB 3.44Å; Q269-L272 PolarHBondContact O-N 2.74Å; Q269-E273 PolarHBondContact O-N 3.46Å
270R95.4Very high95.3Very high49 Ų4962.3 Ų62.319%0.18532%0.323CS..Hα-helixtrans-62.7-39.3175-176.460.464.5166.112112Q265 T267 L272 E273 V274 M340Q265-R270 HydrophobicContact CB-CB 4.24Å; Q265-R270 HydrophobicContact CB-CG 4.11Å; Q265-R270 VanDerWaalsContact CD-NH2 3.3Å; Q265-R270 WeakPolarHBondContact O-CG 3.24Å; Q265-R270 VanDerWaalsContact OE1-NE 3.13Å; T267-R270 PolarHBondContact O-N 2.92Å; T267-R270 VanDerWaalsContact O-N 3.15Å; T267-R270 PolarHBondContact OG1-N 3.37Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.2Å; R270-E273 WeakPolarHBondContact CD-OE2 3.5Å; R270-E273 IonicContact CZ-OE2 3.13Å; R270-E273 VanDerWaalsContact CZ-OE2 3.23Å; R270-E273 IonicContact NE-OE2 2.66Å; R270-E273 PolarHBondContact NE-OE2 3.05Å; R270-E273 IonicContact NH1-OE2 2.61Å; R270-E273 PolarHBondContact NH1-OE2 3.46Å; R270-E273 WeakPolarHBondContact O-CB 3.44Å; R270-E273 PolarHBondContact O-N 3.4Å; R270-V274 HydrophobicContact CG-CG2 4.36Å; R270-V274 VanDerWaalsContact O-CG2 3.3Å; R270-V274 WeakPolarHBondContact O-CG2 3.29Å; R270-V274 PolarHBondContact O-N 3.27Å; R270-M340 HydrophobicContact CG-CE 4.09Å
271L95.9Very high95.3Very high33 Ų3359.3 Ų59.317%0.17331%0.306CS..Hα-helixtrans-59.9-37.6176.1-178.963.7000112T267 P268 Q269 V274 R275 V336 A337 M340T267-L271 PolarHBondContact O-N 3.05Å; P268-L271 PolarHBondContact O-N 3.19Å; Q269-L271 VanDerWaalsContact C-N 3.32Å; Q269-L271 PolarHBondContact O-N 3.23Å; L271-V274 PolarHBondContact O-N 3.39Å; L271-R275 WeakPolarHBondContact O-CB 3.48Å; L271-R275 PolarHBondContact O-N 2.97Å; L271-V336 HydrophobicContact CD1-CB 4.15Å; L271-V336 HydrophobicContact CD1-CG1 3.65Å; L271-A337 HydrophobicContact CD1-CB 4.25Å; L271-A337 HydrophobicContact CD2-CB 3.82Å; L271-M340 HydrophobicContact CB-SD 4.06Å; L271-M340 HydrophobicContact CD1-SD 4.05Å
272L96.4Very high95.4Very high125 Ų12560.3 Ų60.365%0.65431%0.309SS*.Hα-helixtrans-64.4-43.1175.6-170155.8000111.7P268 Q269 R270 R275 G276P268-L272 PolarHBondContact O-N 3.21Å; P268-L272 VanDerWaalsContact O-N 3.15Å; Q269-L272 WeakPolarHBondContact O-CB 3.44Å; Q269-L272 PolarHBondContact O-N 2.74Å; R270-L272 VanDerWaalsContact C-N 3.26Å; R270-L272 PolarHBondContact O-N 3.2Å; L272-R275 WeakPolarHBondContact O-CB 3.38Å; L272-R275 PolarHBondContact O-N 3.32Å; L272-G276 PolarHBondContact O-N 2.69Å; L272-G276 VanDerWaalsContact O-N 3.13Å
273E96.2Very high95.4Very high100 Ų10065 Ų6547%0.46734%0.338SS..Hα-helixtrans-61.7-46.3174.1-64.2173.3-172.100111.7Q269 R270 R275 G276 R277Q269-E273 PolarHBondContact O-N 3.46Å; R270-E273 WeakPolarHBondContact CD-OE2 3.5Å; R270-E273 IonicContact CZ-OE2 3.13Å; R270-E273 VanDerWaalsContact CZ-OE2 3.23Å; R270-E273 IonicContact NE-OE2 2.66Å; R270-E273 PolarHBondContact NE-OE2 3.05Å; R270-E273 IonicContact NH1-OE2 2.61Å; R270-E273 PolarHBondContact NH1-OE2 3.46Å; R270-E273 WeakPolarHBondContact O-CB 3.44Å; R270-E273 PolarHBondContact O-N 3.4Å; E273-R275 VanDerWaalsContact C-N 3.27Å; E273-R275 PolarHBondContact O-N 3.41Å; E273-G276 WeakPolarHBondContact O-CA 3.42Å; E273-G276 PolarHBondContact O-N 3.19Å; E273-R277 PolarHBondContact O-N 3.34Å
274V96.8Very high95.5Very high0 Ų069.7 Ų69.70%036%0.358CS..Hα-helixtrans-60.8-39177.7173.40000110.7T258 I262 R270 L271 G276 R277 L278 V336 M340T258-V274 HydrophobicContact CG2-CG1 4Å; I262-V274 HydrophobicContact CD1-CG1 3.91Å; I262-V274 HydrophobicContact CG1-CB 4.42Å; I262-V274 HydrophobicContact CG1-CG1 3.83Å; I262-V274 HydrophobicContact CG1-CG2 3.7Å; R270-V274 HydrophobicContact CG-CG2 4.36Å; R270-V274 VanDerWaalsContact O-CG2 3.3Å; R270-V274 WeakPolarHBondContact O-CG2 3.29Å; R270-V274 PolarHBondContact O-N 3.27Å; L271-V274 PolarHBondContact O-N 3.39Å; V274-G276 VanDerWaalsContact C-N 3.3Å; V274-G276 PolarHBondContact O-N 3.5Å; V274-R277 WeakPolarHBondContact O-CB 3.43Å; V274-R277 PolarHBondContact O-N 3.33Å; V274-R277 VanDerWaalsContact O-N 3.14Å; V274-L278 HydrophobicContact CG1-CD1 4.28Å; V274-L278 HydrophobicContact CG1-CG 4.34Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 2.91Å; V274-V336 HydrophobicContact CG1-CG1 3.95Å; V274-V336 HydrophobicContact CG1-CG2 4.3Å; V274-M340 HydrophobicContact CG2-CE 4.14Å
275R96.6Very high95.5Very high89 Ų8971.7 Ų71.734%0.33637%0.37SS..Hα-helixtrans-58.6-42.6173.3-174.2-173.5-179.4-178.9-9.9111.6L271 L272 E273 R277 L278 Y279 I329 E333L271-R275 WeakPolarHBondContact O-CB 3.48Å; L271-R275 PolarHBondContact O-N 2.97Å; L272-R275 WeakPolarHBondContact O-CB 3.38Å; L272-R275 PolarHBondContact O-N 3.32Å; E273-R275 VanDerWaalsContact C-N 3.27Å; E273-R275 PolarHBondContact O-N 3.41Å; R275-R277 VanDerWaalsContact C-N 3.34Å; R275-R277 PolarHBondContact O-N 2.93Å; R275-L278 PolarHBondContact O-N 3.1Å; R275-Y279 HydrophobicContact CG-CD2 4.05Å; R275-Y279 HydrophobicContact CG-CE2 3.89Å; R275-Y279 PolarHBondContact NH2-OH 2.85Å; R275-Y279 VanDerWaalsContact O-CD2 3.29Å; R275-Y279 WeakPolarHBondContact O-CD2 3.5Å; R275-Y279 PolarHBondContact O-N 3.06Å; R275-I329 HydrophobicContact CG-CD1 4.36Å; R275-E333 VanDerWaalsContact CD-OE2 3.28Å; R275-E333 WeakPolarHBondContact CD-OE2 3.28Å; R275-E333 IonicContact CZ-OE2 2.72Å; R275-E333 IonicContact NE-OE1 3.42Å; R275-E333 IonicContact NE-OE2 3.59Å; R275-E333 PolarHBondContact NE-OE2 3.47Å; R275-E333 VanDerWaalsContact NE-OE2 3.08Å; R275-E333 IonicContact NH1-OE1 3.95Å; R275-E333 IonicContact NH1-OE2 3.9Å
276G96.8Very high95.6Very high39 Ų3968.4 Ų68.440%0.40236%0.356SS..Hα-helixtrans-57-46.2172.700000112.3L272 E273 V274 L278 Y279 E280L272-G276 PolarHBondContact O-N 2.69Å; L272-G276 VanDerWaalsContact O-N 3.13Å; E273-G276 WeakPolarHBondContact O-CA 3.42Å; E273-G276 PolarHBondContact O-N 3.19Å; V274-G276 VanDerWaalsContact C-N 3.3Å; V274-G276 PolarHBondContact O-N 3.5Å; G276-L278 PolarHBondContact O-N 3.34Å; G276-Y279 WeakPolarHBondContact O-CB 3.35Å; G276-Y279 PolarHBondContact O-N 2.9Å; G276-E280 PolarHBondContact O-N 3.43Å
277R96.3Very high95.7Very high56 Ų5669.2 Ų69.221%0.21136%0.364CS..Hα-helixtrans-63.1-39.6176.4-61.4-173.869.3100.6-3.4112.9Y254 E257 T258 E273 V274 R275 Y279 E280 L281Y254-R277 HydrophobicContact CE1-CB 3.76Å; Y254-R277 HydrophobicContact CE1-CG 4.2Å; Y254-R277 PolarHBondContact O-NH2 3.21Å; E257-R277 VanDerWaalsContact CB-NH2 3.28Å; E257-R277 IonicContact OE2-CZ 2.74Å; E257-R277 IonicContact OE2-NH1 3.55Å; E257-R277 IonicContact OE2-NH2 2.71Å; E257-R277 PolarHBondContact OE2-NH2 3.22Å; T258-R277 HydrophobicContact CG2-CB 4.01Å; T258-R277 PolarHBondContact OG1-NE 2.95Å; E273-R277 PolarHBondContact O-N 3.34Å; V274-R277 WeakPolarHBondContact O-CB 3.43Å; V274-R277 PolarHBondContact O-N 3.33Å; V274-R277 VanDerWaalsContact O-N 3.14Å; R275-R277 VanDerWaalsContact C-N 3.34Å; R275-R277 PolarHBondContact O-N 2.93Å; R277-Y279 VanDerWaalsContact C-N 3.33Å; R277-E280 WeakPolarHBondContact O-CB 3.22Å; R277-E280 PolarHBondContact O-N 3.48Å; R277-L281 WeakPolarHBondContact O-CG 3.45Å; R277-L281 PolarHBondContact O-N 3.27Å; R277-L281 VanDerWaalsContact O-N 3.12Å
278L96.2Very high95.7Very high0 Ų067.9 Ų67.90%036%0.356CS..Hα-helixtrans-65.1-36.8175.2-68.4174.6000112V274 R275 G276 L282 I291 I329 L332 V336V274-L278 HydrophobicContact CG1-CD1 4.28Å; V274-L278 HydrophobicContact CG1-CG 4.34Å; V274-L278 WeakPolarHBondContact O-CG 3.41Å; V274-L278 PolarHBondContact O-N 2.91Å; R275-L278 PolarHBondContact O-N 3.1Å; G276-L278 PolarHBondContact O-N 3.34Å; L278-L282 WeakPolarHBondContact O-CB 3.13Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.07Å; L278-L282 PolarHBondContact O-N 3.42Å; L278-I291 HydrophobicContact CD2-CG2 3.96Å; L278-I329 HydrophobicContact CB-CD1 3.75Å; L278-I329 HydrophobicContact CD1-CD1 4.39Å; L278-L332 HydrophobicContact CD1-CB 4.02Å; L278-V336 HydrophobicContact CD1-CG2 4.22Å
279Y96.3Very high95.6Very high96 Ų9665 Ų6538%0.37633%0.333SS..Hα-helixtrans-63.1-42.5172.4-88.9-67.5000112.1R275 G276 R277 L281 L282 T283 I329R275-Y279 HydrophobicContact CG-CD2 4.05Å; R275-Y279 HydrophobicContact CG-CE2 3.89Å; R275-Y279 PolarHBondContact NH2-OH 2.85Å; R275-Y279 VanDerWaalsContact O-CD2 3.29Å; R275-Y279 WeakPolarHBondContact O-CD2 3.5Å; R275-Y279 PolarHBondContact O-N 3.06Å; G276-Y279 WeakPolarHBondContact O-CB 3.35Å; G276-Y279 PolarHBondContact O-N 2.9Å; R277-Y279 VanDerWaalsContact C-N 3.33Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 2.72Å; Y279-L282 PolarHBondContact O-N 3.23Å; Y279-T283 VanDerWaalsContact O-CB 3.31Å; Y279-T283 WeakPolarHBondContact O-CB 3Å; Y279-T283 PolarHBondContact O-N 3.01Å; Y279-T283 PolarHBondContact O-OG1 2.91Å; Y279-I329 HydrophobicContact CD2-CD1 4.31Å; Y279-I329 HydrophobicContact CD2-CG1 4.42Å; Y279-I329 HydrophobicContact CE1-CB 4.44Å; Y279-I329 HydrophobicContact CE1-CG1 4.11Å; Y279-I329 HydrophobicContact CE1-CG2 4.34Å; Y279-I329 HydrophobicContact CE2-CD1 4.3Å; Y279-I329 HydrophobicContact CE2-CG1 3.95Å
280E96.4Very high95.5Very high88 Ų8860.2 Ų60.241%0.41131%0.312SS..Hα-helixtrans-59.2-47.4177.8-159.966-162.700111Y254 G276 R277 L282 T283 H284Y254-E280 HydrophobicContact CE1-CB 4.14Å; G276-E280 PolarHBondContact O-N 3.43Å; R277-E280 WeakPolarHBondContact O-CB 3.22Å; R277-E280 PolarHBondContact O-N 3.48Å; E280-L282 PolarHBondContact O-N 2.9Å; E280-T283 PolarHBondContact O-N 3.05Å; E280-H284 PolarHBondContact O-CD2 3.11Å; E280-H284 PolarHBondContact O-N 2.51Å; E280-H284 IonicContact OE1-NE2 2.68Å
281L95.3Very high95.5Very high4 Ų457.9 Ų57.92%0.02130%0.303CS..Hα-helixtrans-60.4-42.3176.9-71.2169.5000112.9W251 Y254 L255 R277 Y279 I286 I291W251-L281 HydrophobicContact CB-CD2 4.38Å; Y254-L281 HydrophobicContact CD1-CD1 4.28Å; Y254-L281 HydrophobicContact CD1-CD2 3.78Å; Y254-L281 HydrophobicContact CD1-CG 3.83Å; Y254-L281 HydrophobicContact CE1-CG 4.12Å; L255-L281 HydrophobicContact CD1-CD1 3.77Å; R277-L281 WeakPolarHBondContact O-CG 3.45Å; R277-L281 PolarHBondContact O-N 3.27Å; R277-L281 VanDerWaalsContact O-N 3.12Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 2.72Å; L281-I286 HydrophobicContact CD2-CD1 3.75Å; L281-I286 WeakPolarHBondContact O-CB 3.45Å; L281-I286 PolarHBondContact O-N 2.92Å; L281-I291 HydrophobicContact CB-CD1 3.7Å; L281-I291 HydrophobicContact CB-CG1 4.35Å; L281-I291 HydrophobicContact CD1-CG2 4.24Å
282L95.2Very high95.5Very high39 Ų3956.5 Ų56.520%0.20430%0.296CS..Hα-helixtrans-69.7-34.7177.1-71.7171.8000112.2L278 Y279 E280 H284 C285 P288 I291 A328 I329 L332L278-L282 WeakPolarHBondContact O-CB 3.13Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.07Å; L278-L282 PolarHBondContact O-N 3.42Å; Y279-L282 PolarHBondContact O-N 3.23Å; E280-L282 PolarHBondContact O-N 2.9Å; L282-H284 VanDerWaalsContact C-N 3.31Å; L282-C285 PolarHBondContact O-N 2.76Å; L282-P288 HydrophobicContact CD2-CB 4.4Å; L282-P288 HydrophobicContact CD2-CG 3.92Å; L282-I291 HydrophobicContact CD2-CD1 3.91Å; L282-I291 HydrophobicContact CG-CD1 4.21Å; L282-A328 HydrophobicContact CD2-CB 4.25Å; L282-I329 HydrophobicContact CD1-CB 3.84Å; L282-I329 HydrophobicContact CD1-CD1 4.12Å; L282-L332 HydrophobicContact CD1-CD1 4.22Å; L282-L332 HydrophobicContact CD2-CD1 4.24Å; L282-L332 HydrophobicContact CG-CD1 4.41Å
283T96.3Very high95.4Very high98 Ų9856.5 Ų56.560%0.60129%0.291SS*.Hα-helixtrans-66.2-36.3178.5-58.60000110.9Y279 E280 C285Y279-T283 VanDerWaalsContact O-CB 3.31Å; Y279-T283 WeakPolarHBondContact O-CB 3Å; Y279-T283 PolarHBondContact O-N 3.01Å; Y279-T283 PolarHBondContact O-OG1 2.91Å; E280-T283 PolarHBondContact O-N 3.05Å; T283-C285 PolarHBondContact O-N 3.36Å; T283-C285 VanDerWaalsContact O-N 3.09Å
284H95.1Very high95.3Very high125 Ų12552.7 Ų52.758%0.57928%0.279SS*.THydrogen-bonded Turntrans-7413.6170.5-68.9-56.8000114.6E280 L282 I286E280-H284 PolarHBondContact O-CD2 3.11Å; E280-H284 PolarHBondContact O-N 2.51Å; E280-H284 IonicContact OE1-NE2 2.68Å; L282-H284 VanDerWaalsContact C-N 3.31Å; H284-I286 HydrophobicContact CB-CD1 4.48Å; H284-I286 HydrophobicContact CB-CG1 4.4Å; H284-I286 PolarHBondContact O-N 2.96Å
285C93Very high95.3Very high113 Ų11352.8 Ų52.876%0.76428%0.279SS*.THydrogen-bonded Turntrans58.129.9175.9-58.80000114.3L282 T283L282-C285 PolarHBondContact O-N 2.76Å; T283-C285 PolarHBondContact O-N 3.36Å; T283-C285 VanDerWaalsContact O-N 3.09Å
286I95.1Very high95.2Very high22 Ų2250.1 Ų50.111%0.11327%0.271CS..  trans-77.1128.5173.8-57.2171.9000108.2W251 L281 H284 I290 I291W251-I286 HydrophobicContact CB-CD1 3.31Å; W251-I286 HydrophobicContact CD2-CD1 4.2Å; W251-I286 HydrophobicContact CE3-CD1 4.41Å; W251-I286 HydrophobicContact CE3-CG2 4.49Å; W251-I286 HydrophobicContact CG-CD1 3.76Å; L281-I286 HydrophobicContact CD2-CD1 3.75Å; L281-I286 WeakPolarHBondContact O-CB 3.45Å; L281-I286 PolarHBondContact O-N 2.92Å; H284-I286 HydrophobicContact CB-CD1 4.48Å; H284-I286 HydrophobicContact CB-CG1 4.4Å; H284-I286 PolarHBondContact O-N 2.96Å; I286-I290 HydrophobicContact CG2-CB 4.29Å; I286-I290 HydrophobicContact CG2-CG2 4.31Å; I286-I291 HydrophobicContact CB-CD1 4.41Å; I286-I291 HydrophobicContact CB-CG1 4.39Å; I286-I291 HydrophobicContact CG2-CD1 4.47Å; I286-I291 HydrophobicContact CG2-CG1 3.92Å
287P93.7Very high95.1Very high52 Ų5250.9 Ų50.934%0.33827%0.271SS..  trans-59.4135.1-178.1-24.333.3000111.6E289 I290 I291P287-E289 HydrophobicContact CB-CG 3.89Å; P287-E289 PolarHBondContact O-N 3.37Å; P287-E289 VanDerWaalsContact O-N 3.16Å; P287-I290 HydrophobicContact CB-CG1 4.01Å; P287-I290 HydrophobicContact CG-CG1 4.21Å; P287-I290 WeakPolarHBondContact O-CA 3.37Å; P287-I290 WeakPolarHBondContact O-CB 3.47Å; P287-I290 PolarHBondContact O-N 2.91Å; P287-I291 PolarHBondContact O-N 2.91Å
288P95.1Very high95Very high30 Ų3050.1 Ų50.120%0.19527%0.269CS..Hα-helixtrans-61.4-29.7-176-2129.4000113.9L282 I290 I291 M292 L322 A328 L332L282-P288 HydrophobicContact CD2-CB 4.4Å; L282-P288 HydrophobicContact CD2-CG 3.92Å; P288-I290 VanDerWaalsContact C-N 3.28Å; P288-I290 PolarHBondContact O-N 2.67Å; P288-I291 PolarHBondContact O-N 2.63Å; P288-M292 WeakPolarHBondContact O-CB 3.48Å; P288-M292 PolarHBondContact O-N 3.08Å; P288-L322 HydrophobicContact CB-CD1 3.59Å; P288-L322 HydrophobicContact CB-CD2 3.72Å; P288-L322 HydrophobicContact CB-CG 4.26Å; P288-L322 HydrophobicContact CG-CD2 4.2Å; P288-A328 HydrophobicContact CB-CB 3.9Å; P288-A328 HydrophobicContact CG-CB 3.49Å; P288-A328 VanDerWaalsContact CG-CB 3.49Å; P288-L332 HydrophobicContact CB-CD1 4.42Å
289E93.2Very high94.8Very high52 Ų5250.1 Ų50.124%0.24327%0.269CS..Hα-helixtrans-63-31.9172.860.8-152.9-152.200113.1P287 K293 Q323P287-E289 HydrophobicContact CB-CG 3.89Å; P287-E289 PolarHBondContact O-N 3.37Å; P287-E289 VanDerWaalsContact O-N 3.16Å; E289-K293 WeakPolarHBondContact O-CB 3.32Å; E289-K293 WeakPolarHBondContact O-CE 3.44Å; E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 3.42Å; E289-Q323 PolarHBondContact OE2-NE2 3.13Å; E289-Q323 VanDerWaalsContact OE2-NE2 3.11Å
290I94Very high94.7Very high54 Ų5447.5 Ų47.528%0.27726%0.262SS..Hα-helixtrans-74.8-43.4174.8-58.5-60.5000109.7W251 I286 P287 P288 M292 K293 G294W251-I290 HydrophobicContact CH2-CG2 3.59Å; W251-I290 HydrophobicContact CZ3-CG2 3.64Å; I286-I290 HydrophobicContact CG2-CB 4.29Å; I286-I290 HydrophobicContact CG2-CG2 4.31Å; P287-I290 HydrophobicContact CB-CG1 4.01Å; P287-I290 HydrophobicContact CG-CG1 4.21Å; P287-I290 WeakPolarHBondContact O-CA 3.37Å; P287-I290 WeakPolarHBondContact O-CB 3.47Å; P287-I290 PolarHBondContact O-N 2.91Å; P288-I290 VanDerWaalsContact C-N 3.28Å; P288-I290 PolarHBondContact O-N 2.67Å; I290-M292 PolarHBondContact O-N 3.47Å; I290-K293 PolarHBondContact O-N 2.86Å; I290-G294 PolarHBondContact O-N 2.87Å
291I96.1Very high94.5Very high1 Ų150.1 Ų50.11%0.00527%0.274CS..Hα-helixtrans-56.9-50.6174.5-60.3173.7000109.9L255 L278 L281 L282 I286 P287 P288 K293 G294 L295 L332L255-I291 HydrophobicContact CD1-CG2 3.92Å; L278-I291 HydrophobicContact CD2-CG2 3.96Å; L281-I291 HydrophobicContact CB-CD1 3.7Å; L281-I291 HydrophobicContact CB-CG1 4.35Å; L281-I291 HydrophobicContact CD1-CG2 4.24Å; L282-I291 HydrophobicContact CD2-CD1 3.91Å; L282-I291 HydrophobicContact CG-CD1 4.21Å; I286-I291 HydrophobicContact CB-CD1 4.41Å; I286-I291 HydrophobicContact CB-CG1 4.39Å; I286-I291 HydrophobicContact CG2-CD1 4.47Å; I286-I291 HydrophobicContact CG2-CG1 3.92Å; P287-I291 PolarHBondContact O-N 2.91Å; P288-I291 PolarHBondContact O-N 2.63Å; I291-K293 PolarHBondContact O-N 2.9Å; I291-G294 PolarHBondContact O-N 2.79Å; I291-L295 WeakPolarHBondContact O-CB 3.33Å; I291-L295 PolarHBondContact O-N 2.97Å; I291-L332 HydrophobicContact CD1-CD1 4.41Å; I291-L332 HydrophobicContact CG2-CD1 4.26Å
292M96Very high94.1Very high4 Ų453.1 Ų53.12%0.0229%0.29CS..Hα-helixtrans-59.9-46-179.7-174.864.181.700112.3P288 I290 L296 A315 E319 L332 F335P288-M292 WeakPolarHBondContact O-CB 3.48Å; P288-M292 PolarHBondContact O-N 3.08Å; I290-M292 PolarHBondContact O-N 3.47Å; M292-L296 VanDerWaalsContact O-CB 3.22Å; M292-L296 WeakPolarHBondContact O-CB 3.39Å; M292-L296 PolarHBondContact O-N 3.14Å; M292-A315 HydrophobicContact SD-CB 4.27Å; M292-E319 HydrophobicContact CG-CB 4.16Å; M292-E319 HydrophobicContact CG-CG 4.38Å; M292-L332 HydrophobicContact CB-CD2 4.42Å; M292-L332 HydrophobicContact CE-CD2 3.78Å; M292-F335 HydrophobicContact CE-CB 3.88Å; M292-F335 HydrophobicContact CE-CD1 4Å; M292-F335 HydrophobicContact CE-CG 3.89Å; M292-F335 HydrophobicContact SD-CB 4.45Å; M292-F335 HydrophobicContact SD-CD1 3.49Å; M292-F335 WeakPolarHBondContact SD-CD1 3.38Å; M292-F335 HydrophobicContact SD-CD2 4.27Å; M292-F335 HydrophobicContact SD-CE1 3.7Å; M292-F335 HydrophobicContact SD-CE2 4.44Å; M292-F335 HydrophobicContact SD-CG 3.8Å; M292-F335 HydrophobicContact SD-CZ 4.18Å
293K94.4Very high93.7Very high124 Ų12451.7 Ų51.754%0.53928%0.283SS..Hα-helixtrans-66.9-42.6-179.9-76.2180-67.6-177.30112.7E289 I290 I291 L296 S297E289-K293 WeakPolarHBondContact O-CB 3.32Å; E289-K293 WeakPolarHBondContact O-CE 3.44Å; E289-K293 WeakPolarHBondContact O-CG 3.3Å; E289-K293 PolarHBondContact O-N 3.42Å; I290-K293 PolarHBondContact O-N 2.86Å; I291-K293 PolarHBondContact O-N 2.9Å; K293-L296 PolarHBondContact O-N 3.19Å; K293-S297 PolarHBondContact O-N 3.3Å; K293-S297 PolarHBondContact O-OG 3.09Å
294G94.1Very high93.3Very high21 Ų2151 Ų5122%0.21628%0.276CS..Hα-helixtrans-70.5-37.2178.800000112.4I290 I291 S297 E298I290-G294 PolarHBondContact O-N 2.87Å; I291-G294 PolarHBondContact O-N 2.79Å; G294-S297 PolarHBondContact O-OG 3.03Å; G294-E298 PolarHBondContact O-N 3.15Å
295L95.4Very high92.9Very high2 Ų247.7 Ų47.71%0.0128%0.275CS..Hα-helixtrans-62.9-48.4172.4-164.461.2000110.3L255 A259 I262 I291 S297 E298 L299 F335 V336L255-L295 HydrophobicContact CD1-CB 4.28Å; L255-L295 HydrophobicContact CD1-CD1 4.28Å; A259-L295 HydrophobicContact CB-CD1 3.68Å; I262-L295 HydrophobicContact CD1-CD1 3.74Å; I262-L295 HydrophobicContact CD1-CD2 4.09Å; I262-L295 HydrophobicContact CD1-CG 4.32Å; I291-L295 WeakPolarHBondContact O-CB 3.33Å; I291-L295 PolarHBondContact O-N 2.97Å; L295-S297 PolarHBondContact O-N 3.03Å; L295-E298 PolarHBondContact O-N 2.82Å; L295-L299 HydrophobicContact CG-CD1 4.03Å; L295-L299 HydrophobicContact CG-CG 4.42Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.08Å; L295-F335 HydrophobicContact CD2-CD1 4.17Å; L295-F335 HydrophobicContact CD2-CE1 3.92Å; L295-F335 HydrophobicContact CG-CE1 4.37Å; L295-V336 HydrophobicContact CD2-CG2 3.94Å
296L96Very high92.6Very high32 Ų3248.8 Ų48.817%0.16827%0.269CS..Hα-helixtrans-58.7-46.2177.7176.564.4000112.3M292 K293 E298 L299 L300 V311 A315M292-L296 VanDerWaalsContact O-CB 3.22Å; M292-L296 WeakPolarHBondContact O-CB 3.39Å; M292-L296 PolarHBondContact O-N 3.14Å; K293-L296 PolarHBondContact O-N 3.19Å; L296-E298 VanDerWaalsContact C-N 3.3Å; L296-E298 PolarHBondContact O-N 3.49Å; L296-L299 PolarHBondContact O-N 3.14Å; L296-L300 HydrophobicContact CD1-CD1 3.75Å; L296-L300 HydrophobicContact CD1-CD2 4.18Å; L296-L300 HydrophobicContact CD1-CG 3.72Å; L296-L300 HydrophobicContact CD2-CD1 4.38Å; L296-L300 HydrophobicContact CG-CD1 3.75Å; L296-L300 HydrophobicContact CG-CG 4.14Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.43Å; L296-V311 HydrophobicContact CD1-CG1 3.78Å; L296-A315 HydrophobicContact CB-CB 4.33Å; L296-A315 HydrophobicContact CD1-CB 3.75Å; L296-A315 HydrophobicContact CD2-CB 3.72Å; L296-A315 HydrophobicContact CG-CB 4.13Å
297S93.6Very high92.4Very high56 Ų5648 Ų4839%0.39227%0.265SS..Hα-helixtrans-59.5-44-17955.30000111.7K293 G294 L295 L300 H301K293-S297 PolarHBondContact O-N 3.3Å; K293-S297 PolarHBondContact O-OG 3.09Å; G294-S297 PolarHBondContact O-OG 3.03Å; L295-S297 PolarHBondContact O-N 3.03Å; S297-L300 PolarHBondContact O-N 3.21Å; S297-H301 PolarHBondContact O-CD2 2.89Å; S297-H301 PolarHBondContact O-N 3.19Å
298E94.1Very high92.4Very high39 Ų3949.4 Ų49.418%0.18227%0.266CS..Hα-helixtrans-71.1-40-179.7-16266.7-161.600111.9R256 A259 G294 L295 L296 L300 H301 N302R256-E298 HydrophobicContact CG-CG 3.97Å; R256-E298 WeakPolarHBondContact CG-OE1 3.3Å; R256-E298 IonicContact NE-OE2 2.71Å; A259-E298 HydrophobicContact CB-CB 3.55Å; A259-E298 HydrophobicContact CB-CG 3.53Å; G294-E298 PolarHBondContact O-N 3.15Å; L295-E298 PolarHBondContact O-N 2.82Å; L296-E298 VanDerWaalsContact C-N 3.3Å; L296-E298 PolarHBondContact O-N 3.49Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.28Å; E298-H301 WeakPolarHBondContact O-CB 3.19Å; E298-H301 PolarHBondContact O-N 3.06Å; E298-N302 PolarHBondContact O-N 2.97Å
299L93.4Very high92.3Very high0 Ų049.8 Ų49.80%028%0.275CS..Hα-helixtrans-62.5-40.8174.9-68179.2000111.7A259 I262 V263 L295 L296 H301 N302 C303 F335 F339A259-L299 HydrophobicContact CB-CD2 4.27Å; I262-L299 HydrophobicContact CB-CD2 4.34Å; I262-L299 HydrophobicContact CG2-CD2 4.18Å; V263-L299 HydrophobicContact CG2-CD2 3.63Å; L295-L299 HydrophobicContact CG-CD1 4.03Å; L295-L299 HydrophobicContact CG-CG 4.42Å; L295-L299 WeakPolarHBondContact O-CB 3.24Å; L295-L299 WeakPolarHBondContact O-CG 3.47Å; L295-L299 PolarHBondContact O-N 3.08Å; L296-L299 PolarHBondContact O-N 3.14Å; L299-H301 VanDerWaalsContact C-N 3.27Å; L299-H301 PolarHBondContact O-N 2.86Å; L299-N302 PolarHBondContact O-N 3.25Å; L299-N302 VanDerWaalsContact O-N 3.1Å; L299-C303 PolarHBondContact O-N 3.38Å; L299-C303 VanDerWaalsContact O-N 3.11Å; L299-C303 PolarHBondContact O-SG 2.8Å; L299-F335 HydrophobicContact CD1-CE1 4.07Å; L299-F335 HydrophobicContact CD1-CZ 4.11Å; L299-F339 HydrophobicContact CB-CE2 4.19Å; L299-F339 HydrophobicContact CB-CZ 4.2Å; L299-F339 HydrophobicContact CD1-CD1 4.11Å; L299-F339 HydrophobicContact CD1-CD2 4.07Å; L299-F339 HydrophobicContact CD1-CE1 4.18Å; L299-F339 HydrophobicContact CD1-CE2 4.13Å; L299-F339 HydrophobicContact CD1-CG 4.06Å; L299-F339 HydrophobicContact CD1-CZ 4.19Å; L299-F339 HydrophobicContact CD2-CD1 4.34Å; L299-F339 HydrophobicContact CD2-CE1 3.7Å; L299-F339 HydrophobicContact CD2-CE2 4.48Å; L299-F339 HydrophobicContact CD2-CZ 3.78Å; L299-F339 HydrophobicContact CG-CE1 4.44Å; L299-F339 HydrophobicContact CG-CE2 4.5Å; L299-F339 HydrophobicContact CG-CZ 4.26Å
300L93.4Very high92.3Very high42 Ų4252.2 Ų52.222%0.2229%0.286CS..Hα-helixtrans-67.5-24.3178-71.3174.8000113.4L296 S297 E298 N302 K308 V311L296-L300 HydrophobicContact CD1-CD1 3.75Å; L296-L300 HydrophobicContact CD1-CD2 4.18Å; L296-L300 HydrophobicContact CD1-CG 3.72Å; L296-L300 HydrophobicContact CD2-CD1 4.38Å; L296-L300 HydrophobicContact CG-CD1 3.75Å; L296-L300 HydrophobicContact CG-CG 4.14Å; L296-L300 WeakPolarHBondContact O-CB 3.38Å; L296-L300 WeakPolarHBondContact O-CG 3.39Å; L296-L300 PolarHBondContact O-N 3.43Å; S297-L300 PolarHBondContact O-N 3.21Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.28Å; L300-N302 VanDerWaalsContact C-N 3.29Å; L300-K308 HydrophobicContact CD2-CB 3.77Å; L300-K308 HydrophobicContact CD2-CG 3.75Å; L300-K308 WeakPolarHBondContact O-CE 3.21Å; L300-K308 PolarHBondContact O-NZ 3.33Å; L300-K308 VanDerWaalsContact O-NZ 3.11Å; L300-V311 HydrophobicContact CD2-CB 4.27Å; L300-V311 HydrophobicContact CD2-CG1 4.24Å
301H91.3Very high92.4Very high143 Ų14349.7 Ų49.766%0.66227%0.273SS*.Hα-helixtrans-67.4-33.4171.7-81.9-66.2000111.8S297 E298 L299S297-H301 PolarHBondContact O-CD2 2.89Å; S297-H301 PolarHBondContact O-N 3.19Å; E298-H301 WeakPolarHBondContact O-CB 3.19Å; E298-H301 PolarHBondContact O-N 3.06Å; L299-H301 VanDerWaalsContact C-N 3.27Å; L299-H301 PolarHBondContact O-N 2.86Å
302N87.6Confident92.3Very high67 Ų6751.5 Ų51.536%0.35829%0.288SS..Hα-helixtrans-94.1-5-178.5-64.4-32000114.2N260 V263 E298 L299 L300N260-N302 PolarHBondContact OD1-ND2 3Å; V263-N302 HydrophobicContact CG1-CB 4.11Å; V263-N302 HydrophobicContact CG2-CB 4.03Å; E298-N302 PolarHBondContact O-N 2.97Å; L299-N302 PolarHBondContact O-N 3.25Å; L299-N302 VanDerWaalsContact O-N 3.1Å; L300-N302 VanDerWaalsContact C-N 3.29Å
303C86.8Confident92.3Very high8 Ų858.2 Ų58.25%0.05432%0.32CS..SBendtrans-94.2150.6179.9-680000113.1L299 L307 K308L299-C303 PolarHBondContact O-N 3.38Å; L299-C303 VanDerWaalsContact O-N 3.11Å; L299-C303 PolarHBondContact O-SG 2.8Å; C303-L307 HydrophobicContact CB-CD2 4.39Å; C303-K308 HydrophobicContact CB-CG 4.16Å; C303-K308 WeakPolarHBondContact O-CE 3.45Å
304D88.1Confident92.4Very high85 Ų8553.6 Ų53.646%0.45530%0.3SS..  trans-67.7151.5168.8-167.4-78.3000111.8Q306 L307 K308 F346D304-Q306 VanDerWaalsContact C-N 3.25Å; D304-Q306 HydrophobicContact CB-CG 4.46Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 WeakPolarHBondContact OD1-CG 3.49Å; D304-Q306 PolarHBondContact OD1-N 3.38Å; D304-Q306 VanDerWaalsContact OD1-N 3.17Å; D304-L307 PolarHBondContact O-N 3.39Å; D304-K308 WeakPolarHBondContact O-CG 3.48Å; D304-K308 PolarHBondContact O-N 3.01Å; D304-K308 VanDerWaalsContact O-N 3.11Å; D304-F346 HydrophobicContact CB-CE1 3.97Å; D304-F346 HydrophobicContact CB-CZ 3.97Å
305G86.4Confident92.4Very high55 Ų5552.7 Ų52.757%0.56729%0.291SS*.Hα-helixtrans-53.1-36.8-178.200000114.5
306Q87.8Confident92.5Very high135 Ų13555.5 Ų55.563%0.63132%0.315SS*.Hα-helixtrans-68.3-35.5177.766.1-168.1-5300112.7D304 F346D304-Q306 VanDerWaalsContact C-N 3.25Å; D304-Q306 HydrophobicContact CB-CG 4.46Å; D304-Q306 PolarHBondContact O-N 3.28Å; D304-Q306 WeakPolarHBondContact OD1-CG 3.49Å; D304-Q306 PolarHBondContact OD1-N 3.38Å; D304-Q306 VanDerWaalsContact OD1-N 3.17Å; Q306-F346 VanDerWaalsContact CD-CE2 3.44Å; Q306-F346 HydrophobicContact CG-CE2 3.77Å; Q306-F346 HydrophobicContact CG-CZ 3.94Å; Q306-F346 VanDerWaalsContact NE2-CZ 3.29Å
307L90.6Very high92.5Very high5 Ų559.9 Ų59.93%0.02633%0.33CS..Hα-helixtrans-79.7-25.7-177.9-171.262.7000112.3C303 D304 G309 E310 V311 L342 Y343 F346C303-L307 HydrophobicContact CB-CD2 4.39Å; D304-L307 PolarHBondContact O-N 3.39Å; L307-G309 PolarHBondContact O-N 3.21Å; L307-E310 PolarHBondContact O-N 3.24Å; L307-V311 HydrophobicContact CD1-CG2 4.29Å; L307-V311 HydrophobicContact CD2-CG2 4.5Å; L307-V311 HydrophobicContact CG-CG2 3.86Å; L307-V311 WeakPolarHBondContact O-CG2 3.31Å; L307-V311 PolarHBondContact O-N 3.03Å; L307-L342 HydrophobicContact CD1-CD2 3.61Å; L307-L342 HydrophobicContact CD1-CG 3.79Å; L307-Y343 HydrophobicContact CD2-CD2 3.7Å; L307-Y343 HydrophobicContact CD2-CE2 4.35Å; L307-F346 HydrophobicContact CD2-CB 4.48Å; L307-F346 HydrophobicContact CD2-CD1 4.15Å; L307-F346 HydrophobicContact CD2-CG 4.31Å
308K93.3Very high92.6Very high83 Ų8358.5 Ų58.536%0.36132%0.316SS..Hα-helixtrans-56-37.5-179.7-71.7-178.9-164.1-159.30112.9L300 C303 D304 A312L300-K308 HydrophobicContact CD2-CB 3.77Å; L300-K308 HydrophobicContact CD2-CG 3.75Å; L300-K308 WeakPolarHBondContact O-CE 3.21Å; L300-K308 PolarHBondContact O-NZ 3.33Å; L300-K308 VanDerWaalsContact O-NZ 3.11Å; C303-K308 HydrophobicContact CB-CG 4.16Å; C303-K308 WeakPolarHBondContact O-CE 3.45Å; D304-K308 WeakPolarHBondContact O-CG 3.48Å; D304-K308 PolarHBondContact O-N 3.01Å; D304-K308 VanDerWaalsContact O-N 3.11Å; K308-A312 VanDerWaalsContact O-CB 3.25Å; K308-A312 WeakPolarHBondContact O-CB 3.46Å; K308-A312 PolarHBondContact O-N 3.4Å
309G93.4Very high92.7Very high38 Ų3859.3 Ų59.339%0.39232%0.32SS..Hα-helixtrans-61.9-50.1178.700000112.3L307 A312 Q313L307-G309 PolarHBondContact O-N 3.21Å; G309-A312 PolarHBondContact O-N 3.42Å; G309-Q313 WeakPolarHBondContact O-CG 3.35Å; G309-Q313 PolarHBondContact O-N 3.16Å; G309-Q313 VanDerWaalsContact O-N 3.13Å
310E93.1Very high92.8Very high103 Ų10364.7 Ų64.748%0.48135%0.345SS..Hα-helixtrans-66.5-44-179.6-63.1-170.9-175.300112L307 A312 Q313 M314 L342L307-E310 PolarHBondContact O-N 3.24Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.32Å; E310-Q313 PolarHBondContact O-N 2.6Å; E310-M314 WeakPolarHBondContact O-CB 3.37Å; E310-M314 WeakPolarHBondContact O-CG 3.4Å; E310-M314 PolarHBondContact O-N 3.26Å; E310-L342 HydrophobicContact CB-CD2 4.16Å
311V95.1Very high92.9Very high0 Ų067.4 Ų67.40%035%0.352CS..Hα-helixtrans-63.5-40.1179.7176.20000111.2L296 L300 L307 M314 A315 F339 L342L296-V311 HydrophobicContact CD1-CG1 3.78Å; L300-V311 HydrophobicContact CD2-CB 4.27Å; L300-V311 HydrophobicContact CD2-CG1 4.24Å; L307-V311 HydrophobicContact CD1-CG2 4.29Å; L307-V311 HydrophobicContact CD2-CG2 4.5Å; L307-V311 HydrophobicContact CG-CG2 3.86Å; L307-V311 WeakPolarHBondContact O-CG2 3.31Å; L307-V311 PolarHBondContact O-N 3.03Å; V311-M314 PolarHBondContact O-N 3.14Å; V311-A315 WeakPolarHBondContact O-CB 3.47Å; V311-A315 PolarHBondContact O-N 3.25Å; V311-F339 HydrophobicContact CG1-CD2 3.89Å; V311-F339 HydrophobicContact CG1-CE2 4.01Å; V311-F339 HydrophobicContact CG2-CD2 3.87Å; V311-F339 HydrophobicContact CG2-CE2 3.85Å; V311-L342 HydrophobicContact CG2-CD2 4.47Å
312A95.4Very high93Very high39 Ų3961.2 Ų61.232%0.32232%0.324SS..Hα-helixtrans-64.1-43.4175.800000112.1K308 G309 E310 A315 A316K308-A312 VanDerWaalsContact O-CB 3.25Å; K308-A312 WeakPolarHBondContact O-CB 3.46Å; K308-A312 PolarHBondContact O-N 3.4Å; G309-A312 PolarHBondContact O-N 3.42Å; E310-A312 VanDerWaalsContact C-N 3.33Å; E310-A312 PolarHBondContact O-N 3.32Å; A312-A315 PolarHBondContact O-N 3.09Å; A312-A316 WeakPolarHBondContact O-CB 3.43Å; A312-A316 PolarHBondContact O-N 3.12Å
313Q95.8Very high93.2Very high145 Ų14561.6 Ų61.668%0.67832%0.324SS*.Hα-helixtrans-63.7-41.7175.9-70.7175.614.300111.8G309 E310 A316 Y317G309-Q313 WeakPolarHBondContact O-CG 3.35Å; G309-Q313 PolarHBondContact O-N 3.16Å; G309-Q313 VanDerWaalsContact O-N 3.13Å; E310-Q313 PolarHBondContact O-N 2.6Å; Q313-A316 PolarHBondContact O-N 3.38Å; Q313-Y317 WeakPolarHBondContact O-CB 3.45Å; Q313-Y317 PolarHBondContact O-N 3.31Å
314M95Very high93.4Very high27 Ų2767.6 Ų67.613%0.13335%0.354CS..Hα-helixtrans-61.9-48.8176.1-76.9174.83700111.7E310 V311 A316 Y317 Y318 F335 K338 F339 L342E310-M314 WeakPolarHBondContact O-CB 3.37Å; E310-M314 WeakPolarHBondContact O-CG 3.4Å; E310-M314 PolarHBondContact O-N 3.26Å; V311-M314 PolarHBondContact O-N 3.14Å; M314-A316 VanDerWaalsContact C-N 3.3Å; M314-A316 PolarHBondContact O-N 3.49Å; M314-Y317 WeakPolarHBondContact O-CB 3.47Å; M314-Y317 PolarHBondContact O-N 3.17Å; M314-Y317 VanDerWaalsContact O-N 3.15Å; M314-Y318 VanDerWaalsContact O-CD2 3.23Å; M314-Y318 WeakPolarHBondContact O-CD2 3.45Å; M314-Y318 PolarHBondContact O-N 2.78Å; M314-F335 HydrophobicContact CB-CE2 4.41Å; M314-K338 HydrophobicContact CE-CB 3.75Å; M314-K338 HydrophobicContact CE-CG 3.31Å; M314-K338 HydrophobicContact SD-CG 4Å; M314-F339 HydrophobicContact CE-CB 4.44Å; M314-L342 HydrophobicContact SD-CD2 3.72Å
315A95.9Very high93.5Very high3 Ų365.2 Ų65.23%0.02535%0.35CS..Hα-helixtrans-59-43.3177.700000111.4M292 L296 V311 A312 Y317 Y318 E319 F335M292-A315 HydrophobicContact SD-CB 4.27Å; L296-A315 HydrophobicContact CB-CB 4.33Å; L296-A315 HydrophobicContact CD1-CB 3.75Å; L296-A315 HydrophobicContact CD2-CB 3.72Å; L296-A315 HydrophobicContact CG-CB 4.13Å; V311-A315 WeakPolarHBondContact O-CB 3.47Å; V311-A315 PolarHBondContact O-N 3.25Å; A312-A315 PolarHBondContact O-N 3.09Å; A315-Y317 PolarHBondContact O-N 3.29Å; A315-Y318 PolarHBondContact O-N 3.13Å; A315-E319 WeakPolarHBondContact O-CB 3.2Å; A315-E319 PolarHBondContact O-N 2.77Å; A315-F335 HydrophobicContact CB-CD2 4.44Å; A315-F335 HydrophobicContact CB-CE2 3.71Å; A315-F335 HydrophobicContact CB-CZ 3.99Å
316A95.8Very high93.6Very high61 Ų6168.5 Ų68.550%0.50436%0.364SS..Hα-helixtrans-61.5-42174.900000112.5A312 Q313 M314 H320A312-A316 WeakPolarHBondContact O-CB 3.43Å; A312-A316 PolarHBondContact O-N 3.12Å; Q313-A316 PolarHBondContact O-N 3.38Å; M314-A316 VanDerWaalsContact C-N 3.3Å; M314-A316 PolarHBondContact O-N 3.49Å; A316-H320 WeakPolarHBondContact O-CB 3.48Å; A316-H320 PolarHBondContact O-N 2.64Å
317Y96.8Very high93.9Very high123 Ų12367.3 Ų67.348%0.48236%0.357SS..Hα-helixtrans-63.9-48.6177.6172.7-102.9000112.5Q313 M314 A315 H320 R321Q313-Y317 WeakPolarHBondContact O-CB 3.45Å; Q313-Y317 PolarHBondContact O-N 3.31Å; M314-Y317 WeakPolarHBondContact O-CB 3.47Å; M314-Y317 PolarHBondContact O-N 3.17Å; M314-Y317 VanDerWaalsContact O-N 3.15Å; A315-Y317 PolarHBondContact O-N 3.29Å; Y317-H320 PolarHBondContact O-N 3.47Å; Y317-R321 HydrophobicContact CE2-CG 4.32Å; Y317-R321 WeakPolarHBondContact O-CG 3.37Å; Y317-R321 PolarHBondContact O-N 3.42Å; Y317-R321 VanDerWaalsContact O-N 3.09Å; Y317-R321 PolarHBondContact OH-NE 3.15Å
318Y96.4Very high94Very high28 Ų2868.1 Ų68.111%0.1136%0.364CS..Hα-helixtrans-70.4-35.1180-77.7-78.1000112.3M314 A315 R321 L322 A334 F335 K338M314-Y318 VanDerWaalsContact O-CD2 3.23Å; M314-Y318 WeakPolarHBondContact O-CD2 3.45Å; M314-Y318 PolarHBondContact O-N 2.78Å; A315-Y318 PolarHBondContact O-N 3.13Å; Y318-R321 PolarHBondContact O-N 2.89Å; Y318-L322 VanDerWaalsContact O-CB 3.31Å; Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 2.93Å; Y318-A334 HydrophobicContact CD1-CB 4.16Å; Y318-A334 HydrophobicContact CE1-CB 3.59Å; Y318-F335 HydrophobicContact CD1-CB 4.38Å; Y318-F335 HydrophobicContact CD2-CB 3.92Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.44Å; Y318-F335 HydrophobicContact CG-CB 3.83Å; Y318-K338 HydrophobicContact CE2-CB 4.08Å; Y318-K338 HydrophobicContact CE2-CG 4.22Å
319E95.5Very high94.1Very high56 Ų5664.7 Ų64.726%0.26235%0.35SS..Hα-helixtrans-62-45.5172.2-165.5-77.3153.800111M292 A315 R321 L322 Q323M292-E319 HydrophobicContact CG-CB 4.16Å; M292-E319 HydrophobicContact CG-CG 4.38Å; A315-E319 WeakPolarHBondContact O-CB 3.2Å; A315-E319 PolarHBondContact O-N 2.77Å; E319-R321 VanDerWaalsContact C-N 3.33Å; E319-R321 PolarHBondContact O-N 3.09Å; E319-L322 VanDerWaalsContact O-CB 3.29Å; E319-L322 WeakPolarHBondContact O-CB 3.48Å; E319-L322 PolarHBondContact O-N 3.39Å; E319-L322 VanDerWaalsContact O-N 3.11Å; E319-Q323 WeakPolarHBondContact O-CG 3.41Å; E319-Q323 PolarHBondContact O-N 2.78Å; E319-Q323 WeakPolarHBondContact OE1-CG 3.13Å; E319-Q323 PolarHBondContact OE1-NE2 2.97Å
320H95Very high94.3Very high112 Ų11268.6 Ų68.652%0.51935%0.353SS..Hα-helixtrans-59.5-44.4176.8178.556.9000112A316 Y317 L322 Q323A316-H320 WeakPolarHBondContact O-CB 3.48Å; A316-H320 PolarHBondContact O-N 2.64Å; Y317-H320 PolarHBondContact O-N 3.47Å; H320-L322 VanDerWaalsContact C-N 3.32Å; H320-L322 PolarHBondContact O-N 3.12Å; H320-Q323 PolarHBondContact O-N 2.96Å
321R94.9Very high94.4Very high100 Ų10065.2 Ų65.238%0.37734%0.337SS..Hα-helixtrans-67.3-32.8176.3-65.2-142.1-61.1167.1-0.3112.8Y317 Y318 E319 Q323 L324 G325Y317-R321 HydrophobicContact CE2-CG 4.32Å; Y317-R321 WeakPolarHBondContact O-CG 3.37Å; Y317-R321 PolarHBondContact O-N 3.42Å; Y317-R321 VanDerWaalsContact O-N 3.09Å; Y317-R321 PolarHBondContact OH-NE 3.15Å; Y318-R321 PolarHBondContact O-N 2.89Å; E319-R321 VanDerWaalsContact C-N 3.33Å; E319-R321 PolarHBondContact O-N 3.09Å; R321-Q323 VanDerWaalsContact C-N 3.27Å; R321-Q323 PolarHBondContact O-N 3.17Å; R321-L324 PolarHBondContact O-N 3.35Å; R321-L324 VanDerWaalsContact O-N 3.14Å; R321-G325 PolarHBondContact O-N 3.39Å; R321-G325 VanDerWaalsContact O-N 3.09Å
322L95.1Very high94.5Very high13 Ų1365.3 Ų65.37%0.06834%0.338CS..Hα-helixtrans-59.3-40.5175.8-176.9151.5000111.3P288 Y318 E319 H320 L324 G325 A328 H331 L332P288-L322 HydrophobicContact CB-CD1 3.59Å; P288-L322 HydrophobicContact CB-CD2 3.72Å; P288-L322 HydrophobicContact CB-CG 4.26Å; P288-L322 HydrophobicContact CG-CD2 4.2Å; Y318-L322 VanDerWaalsContact O-CB 3.31Å; Y318-L322 WeakPolarHBondContact O-CB 3.34Å; Y318-L322 PolarHBondContact O-N 2.93Å; E319-L322 VanDerWaalsContact O-CB 3.29Å; E319-L322 WeakPolarHBondContact O-CB 3.48Å; E319-L322 PolarHBondContact O-N 3.39Å; E319-L322 VanDerWaalsContact O-N 3.11Å; H320-L322 VanDerWaalsContact C-N 3.32Å; H320-L322 PolarHBondContact O-N 3.12Å; L322-L324 PolarHBondContact O-N 3.16Å; L322-G325 PolarHBondContact O-N 3.35Å; L322-A328 HydrophobicContact CD1-CB 4.15Å; L322-A328 HydrophobicContact CG-CB 4.29Å; L322-H331 HydrophobicContact CB-CB 3.82Å; L322-H331 HydrophobicContact CD1-CB 4.15Å; L322-H331 HydrophobicContact CG-CB 4.22Å; L322-L332 HydrophobicContact CD1-CD2 3.8Å; L322-L332 HydrophobicContact CD1-CG 3.94Å
323Q90.4Very high94.5Very high75 Ų7565.5 Ų65.535%0.3533%0.332SS..Hα-helixtrans-69.1-19.6179.2-61.2-71.6-25.200113.3E289 E319 H320 R321E289-Q323 PolarHBondContact OE2-NE2 3.13Å; E289-Q323 VanDerWaalsContact OE2-NE2 3.11Å; E319-Q323 WeakPolarHBondContact O-CG 3.41Å; E319-Q323 PolarHBondContact O-N 2.78Å; E319-Q323 WeakPolarHBondContact OE1-CG 3.13Å; E319-Q323 PolarHBondContact OE1-NE2 2.97Å; H320-Q323 PolarHBondContact O-N 2.96Å; R321-Q323 VanDerWaalsContact C-N 3.27Å; R321-Q323 PolarHBondContact O-N 3.17Å
324L91Very high94.6Very high134 Ų13460.1 Ų60.170%0.70231%0.313SS*.Hα-helixtrans-92.2-23176.3-61175.1000112.5R321 L322R321-L324 PolarHBondContact O-N 3.35Å; R321-L324 VanDerWaalsContact O-N 3.14Å; L322-L324 PolarHBondContact O-N 3.16Å
325G90.3Very high94.7Very high34 Ų3458.9 Ų58.935%0.35131%0.306SS..  trans-86.9161.8-179.100000113.4R321 L322R321-G325 PolarHBondContact O-N 3.39Å; R321-G325 VanDerWaalsContact O-N 3.09Å; L322-G325 PolarHBondContact O-N 3.35Å
326S88.6Confident94.7Very high124 Ų12458.7 Ų58.787%0.86731%0.305SS*.SBendtrans-89.9-33.417456.30000113.1
327K93.7Very high94.7Very high110 Ų11057.6 Ų57.648%0.47830%0.296SS..  trans-105.297.3-176.5-69-177.7175.9-178.10110.6I329 Y330 H331K327-I329 VanDerWaalsContact C-N 3.25Å; K327-I329 PolarHBondContact O-N 3.32Å; K327-Y330 HydrophobicContact CB-CD1 4.48Å; K327-Y330 HydrophobicContact CB-CD2 3.98Å; K327-Y330 HydrophobicContact CB-CE2 4.16Å; K327-Y330 HydrophobicContact CB-CG 4.16Å; K327-Y330 HydrophobicContact CD-CD2 4.17Å; K327-Y330 HydrophobicContact CD-CE1 4.04Å; K327-Y330 HydrophobicContact CD-CE2 3.47Å; K327-Y330 VanDerWaalsContact CD-CE2 3.47Å; K327-Y330 WeakPolarHBondContact CD-OH 3.32Å; K327-Y330 HydrophobicContact CG-CE2 4.43Å; K327-Y330 PolarHBondContact NZ-OH 2.99Å; K327-Y330 PolarHBondContact O-N 3.28Å; K327-H331 PolarHBondContact O-CD2 3.33Å
328A94.4Very high94.7Very high22 Ų2257.1 Ų57.118%0.18230%0.296CS..Hα-helixtrans-55.5-38.5-179.400000113.5L282 P288 L322 Y330 H331 L332L282-A328 HydrophobicContact CD2-CB 4.25Å; P288-A328 HydrophobicContact CB-CB 3.9Å; P288-A328 HydrophobicContact CG-CB 3.49Å; P288-A328 VanDerWaalsContact CG-CB 3.49Å; L322-A328 HydrophobicContact CD1-CB 4.15Å; L322-A328 HydrophobicContact CG-CB 4.29Å; A328-Y330 VanDerWaalsContact C-N 3.28Å; A328-Y330 PolarHBondContact O-N 3.38Å; A328-H331 PolarHBondContact O-N 3.48Å; A328-H331 VanDerWaalsContact O-N 3.12Å; A328-L332 WeakPolarHBondContact O-CG 3.28Å; A328-L332 PolarHBondContact O-N 3.08Å; A328-L332 VanDerWaalsContact O-N 3.09Å
329I95.4Very high94.7Very high12 Ų1255.8 Ų55.86%0.06229%0.291CS..Hα-helixtrans-56.8-37.9-177.5-175.861.8000113.3R275 L278 Y279 L282 K327 H331 L332 E333R275-I329 HydrophobicContact CG-CD1 4.36Å; L278-I329 HydrophobicContact CB-CD1 3.75Å; L278-I329 HydrophobicContact CD1-CD1 4.39Å; Y279-I329 HydrophobicContact CD2-CD1 4.31Å; Y279-I329 HydrophobicContact CD2-CG1 4.42Å; Y279-I329 HydrophobicContact CE1-CB 4.44Å; Y279-I329 HydrophobicContact CE1-CG1 4.11Å; Y279-I329 HydrophobicContact CE1-CG2 4.34Å; Y279-I329 HydrophobicContact CE2-CD1 4.3Å; Y279-I329 HydrophobicContact CE2-CG1 3.95Å; L282-I329 HydrophobicContact CD1-CB 3.84Å; L282-I329 HydrophobicContact CD1-CD1 4.12Å; K327-I329 VanDerWaalsContact C-N 3.25Å; K327-I329 PolarHBondContact O-N 3.32Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 2.92Å; I329-L332 PolarHBondContact O-N 3.07Å; I329-E333 VanDerWaalsContact O-CB 3.3Å; I329-E333 WeakPolarHBondContact O-CB 3.07Å; I329-E333 PolarHBondContact O-N 3.28Å
330Y95.8Very high94.6Very high120 Ų12053.6 Ų53.647%0.47128%0.281SS..Hα-helixtrans-64.2-37.1-178.9-64.4-6.9000111.8K327 A328 A334K327-Y330 HydrophobicContact CB-CD1 4.48Å; K327-Y330 HydrophobicContact CB-CD2 3.98Å; K327-Y330 HydrophobicContact CB-CE2 4.16Å; K327-Y330 HydrophobicContact CB-CG 4.16Å; K327-Y330 HydrophobicContact CD-CD2 4.17Å; K327-Y330 HydrophobicContact CD-CE1 4.04Å; K327-Y330 HydrophobicContact CD-CE2 3.47Å; K327-Y330 VanDerWaalsContact CD-CE2 3.47Å; K327-Y330 WeakPolarHBondContact CD-OH 3.32Å; K327-Y330 HydrophobicContact CG-CE2 4.43Å; K327-Y330 PolarHBondContact NZ-OH 2.99Å; K327-Y330 PolarHBondContact O-N 3.28Å; A328-Y330 VanDerWaalsContact C-N 3.28Å; A328-Y330 PolarHBondContact O-N 3.38Å; Y330-A334 WeakPolarHBondContact O-CB 3.45Å; Y330-A334 PolarHBondContact O-N 3.15Å; Y330-A334 VanDerWaalsContact O-N 3.09Å
331H96.4Very high94.6Very high31 Ų3151.3 Ų51.314%0.14428%0.281CS..Hα-helixtrans-77.5-37180-57.8-74.2000111.7L322 K327 A328 I329 F335L322-H331 HydrophobicContact CB-CB 3.82Å; L322-H331 HydrophobicContact CD1-CB 4.15Å; L322-H331 HydrophobicContact CG-CB 4.22Å; K327-H331 PolarHBondContact O-CD2 3.33Å; A328-H331 PolarHBondContact O-N 3.48Å; A328-H331 VanDerWaalsContact O-N 3.12Å; I329-H331 VanDerWaalsContact C-N 3.28Å; I329-H331 PolarHBondContact O-N 2.92Å; H331-F335 WeakPolarHBondContact O-CB 3.19Å; H331-F335 PolarHBondContact O-N 3.42Å
332L96.1Very high94.5Very high2 Ų248.4 Ų48.41%0.0127%0.273CS..Hα-helixtrans-66.3-48.8175.3-65.2179000111.5L278 L282 P288 I291 M292 L322 A328 I329 A334 F335 V336L278-L332 HydrophobicContact CD1-CB 4.02Å; L282-L332 HydrophobicContact CD1-CD1 4.22Å; L282-L332 HydrophobicContact CD2-CD1 4.24Å; L282-L332 HydrophobicContact CG-CD1 4.41Å; P288-L332 HydrophobicContact CB-CD1 4.42Å; I291-L332 HydrophobicContact CD1-CD1 4.41Å; I291-L332 HydrophobicContact CG2-CD1 4.26Å; M292-L332 HydrophobicContact CB-CD2 4.42Å; M292-L332 HydrophobicContact CE-CD2 3.78Å; L322-L332 HydrophobicContact CD1-CD2 3.8Å; L322-L332 HydrophobicContact CD1-CG 3.94Å; A328-L332 WeakPolarHBondContact O-CG 3.28Å; A328-L332 PolarHBondContact O-N 3.08Å; A328-L332 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 3.07Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.09Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.12Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 3.07Å
333E96.9Very high94.4Very high43 Ų4349.2 Ų49.220%0.20128%0.276CS..Hα-helixtrans-61.7-42.3177.4-176.3179.4173.900111.2R275 I329 F335 V336 A337R275-E333 VanDerWaalsContact CD-OE2 3.28Å; R275-E333 WeakPolarHBondContact CD-OE2 3.28Å; R275-E333 IonicContact CZ-OE2 2.72Å; R275-E333 IonicContact NE-OE1 3.42Å; R275-E333 IonicContact NE-OE2 3.59Å; R275-E333 PolarHBondContact NE-OE2 3.47Å; R275-E333 VanDerWaalsContact NE-OE2 3.08Å; R275-E333 IonicContact NH1-OE1 3.95Å; R275-E333 IonicContact NH1-OE2 3.9Å; I329-E333 VanDerWaalsContact O-CB 3.3Å; I329-E333 WeakPolarHBondContact O-CB 3.07Å; I329-E333 PolarHBondContact O-N 3.28Å; E333-F335 VanDerWaalsContact C-N 3.33Å; E333-F335 PolarHBondContact O-N 3.27Å; E333-V336 PolarHBondContact O-N 3.12Å; E333-A337 WeakPolarHBondContact O-CB 3.22Å; E333-A337 PolarHBondContact O-N 2.76Å
334A96.4Very high94.5Very high33 Ų3349.8 Ų49.827%0.27328%0.277SS..Hα-helixtrans-64.1-36.7176.800000112.8Y318 Y330 L332 K338Y318-A334 HydrophobicContact CD1-CB 4.16Å; Y318-A334 HydrophobicContact CE1-CB 3.59Å; Y330-A334 WeakPolarHBondContact O-CB 3.45Å; Y330-A334 PolarHBondContact O-N 3.15Å; Y330-A334 VanDerWaalsContact O-N 3.09Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.09Å; A334-K338 VanDerWaalsContact O-CB 3.31Å; A334-K338 WeakPolarHBondContact O-CB 3.41Å; A334-K338 PolarHBondContact O-N 2.82Å
335F97.1Very high94.5Very high0 Ų049.5 Ų49.50%027%0.27CS..Hα-helixtrans-62.3-48.6172.8166.4-110.1000111.1M292 L295 L299 M314 A315 Y318 H331 L332 E333 K338 F339M292-F335 HydrophobicContact CE-CB 3.88Å; M292-F335 HydrophobicContact CE-CD1 4Å; M292-F335 HydrophobicContact CE-CG 3.89Å; M292-F335 HydrophobicContact SD-CB 4.45Å; M292-F335 HydrophobicContact SD-CD1 3.49Å; M292-F335 WeakPolarHBondContact SD-CD1 3.38Å; M292-F335 HydrophobicContact SD-CD2 4.27Å; M292-F335 HydrophobicContact SD-CE1 3.7Å; M292-F335 HydrophobicContact SD-CE2 4.44Å; M292-F335 HydrophobicContact SD-CG 3.8Å; M292-F335 HydrophobicContact SD-CZ 4.18Å; L295-F335 HydrophobicContact CD2-CD1 4.17Å; L295-F335 HydrophobicContact CD2-CE1 3.92Å; L295-F335 HydrophobicContact CG-CE1 4.37Å; L299-F335 HydrophobicContact CD1-CE1 4.07Å; L299-F335 HydrophobicContact CD1-CZ 4.11Å; M314-F335 HydrophobicContact CB-CE2 4.41Å; A315-F335 HydrophobicContact CB-CD2 4.44Å; A315-F335 HydrophobicContact CB-CE2 3.71Å; A315-F335 HydrophobicContact CB-CZ 3.99Å; Y318-F335 HydrophobicContact CD1-CB 4.38Å; Y318-F335 HydrophobicContact CD2-CB 3.92Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.44Å; Y318-F335 HydrophobicContact CG-CB 3.83Å; H331-F335 WeakPolarHBondContact O-CB 3.19Å; H331-F335 PolarHBondContact O-N 3.42Å; L332-F335 WeakPolarHBondContact O-CB 3.21Å; L332-F335 PolarHBondContact O-N 3.12Å; E333-F335 VanDerWaalsContact C-N 3.33Å; E333-F335 PolarHBondContact O-N 3.27Å; F335-K338 PolarHBondContact O-N 3.48Å; F335-F339 WeakPolarHBondContact O-CB 3.26Å; F335-F339 PolarHBondContact O-N 3.23Å
336V96.5Very high94.5Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-61.2-47.3178.81750000111.2I262 L271 V274 L278 L295 L332 E333 K338 F339 M340I262-V336 HydrophobicContact CD1-CG1 3.86Å; I262-V336 HydrophobicContact CD1-CG2 3.87Å; I262-V336 HydrophobicContact CG1-CG1 3.92Å; I262-V336 HydrophobicContact CG2-CG1 4.19Å; L271-V336 HydrophobicContact CD1-CB 4.15Å; L271-V336 HydrophobicContact CD1-CG1 3.65Å; V274-V336 HydrophobicContact CG1-CG1 3.95Å; V274-V336 HydrophobicContact CG1-CG2 4.3Å; L278-V336 HydrophobicContact CD1-CG2 4.22Å; L295-V336 HydrophobicContact CD2-CG2 3.94Å; L332-V336 WeakPolarHBondContact O-CG2 3.34Å; L332-V336 PolarHBondContact O-N 3.07Å; E333-V336 PolarHBondContact O-N 3.12Å; V336-K338 VanDerWaalsContact C-N 3.3Å; V336-K338 PolarHBondContact O-N 3.12Å; V336-F339 PolarHBondContact O-N 3.39Å; V336-M340 HydrophobicContact CG1-CE 3.85Å; V336-M340 HydrophobicContact CG1-CG 4.3Å; V336-M340 HydrophobicContact CG1-SD 4.11Å; V336-M340 WeakPolarHBondContact O-CG 3.49Å; V336-M340 PolarHBondContact O-N 2.97Å
337A96.4Very high94.4Very high37 Ų3748.7 Ų48.731%0.30624%0.243SC..Hα-helixtrans-60.1-42179.100000111.7L271 E333 M340 A341L271-A337 HydrophobicContact CD1-CB 4.25Å; L271-A337 HydrophobicContact CD2-CB 3.82Å; E333-A337 WeakPolarHBondContact O-CB 3.22Å; E333-A337 PolarHBondContact O-N 2.76Å; A337-M340 PolarHBondContact O-N 2.84Å; A337-A341 PolarHBondContact O-N 2.85Å
338K96Very high94.1Very high113 Ų11348 Ų4849%0.49124%0.242SC..Hα-helixtrans-67.2-41.5177-171.471.5-178.9-173.30111.6M314 Y318 A334 F335 V336 A341 L342M314-K338 HydrophobicContact CE-CB 3.75Å; M314-K338 HydrophobicContact CE-CG 3.31Å; M314-K338 HydrophobicContact SD-CG 4Å; Y318-K338 HydrophobicContact CE2-CB 4.08Å; Y318-K338 HydrophobicContact CE2-CG 4.22Å; A334-K338 VanDerWaalsContact O-CB 3.31Å; A334-K338 WeakPolarHBondContact O-CB 3.41Å; A334-K338 PolarHBondContact O-N 2.82Å; F335-K338 PolarHBondContact O-N 3.48Å; V336-K338 VanDerWaalsContact C-N 3.3Å; V336-K338 PolarHBondContact O-N 3.12Å; K338-A341 PolarHBondContact O-N 2.8Å; K338-L342 WeakPolarHBondContact O-CB 3.28Å; K338-L342 PolarHBondContact O-N 2.71Å; K338-L342 VanDerWaalsContact O-N 3.07Å
339F95.7Very high93.6Very high1 Ų151.1 Ų51.10%0.00426%0.256CS..Hα-helixtrans-60.4-48.9174.5173.8-92.9000111.2I262 L299 V311 M314 F335 V336 A341 L342 Y343I262-F339 HydrophobicContact CG2-CD1 3.48Å; I262-F339 VanDerWaalsContact CG2-CD1 3.48Å; I262-F339 HydrophobicContact CG2-CE1 3.66Å; L299-F339 HydrophobicContact CB-CE2 4.19Å; L299-F339 HydrophobicContact CB-CZ 4.2Å; L299-F339 HydrophobicContact CD1-CD1 4.11Å; L299-F339 HydrophobicContact CD1-CD2 4.07Å; L299-F339 HydrophobicContact CD1-CE1 4.18Å; L299-F339 HydrophobicContact CD1-CE2 4.13Å; L299-F339 HydrophobicContact CD1-CG 4.06Å; L299-F339 HydrophobicContact CD1-CZ 4.19Å; L299-F339 HydrophobicContact CD2-CD1 4.34Å; L299-F339 HydrophobicContact CD2-CE1 3.7Å; L299-F339 HydrophobicContact CD2-CE2 4.48Å; L299-F339 HydrophobicContact CD2-CZ 3.78Å; L299-F339 HydrophobicContact CG-CE1 4.44Å; L299-F339 HydrophobicContact CG-CE2 4.5Å; L299-F339 HydrophobicContact CG-CZ 4.26Å; V311-F339 HydrophobicContact CG1-CD2 3.89Å; V311-F339 HydrophobicContact CG1-CE2 4.01Å; V311-F339 HydrophobicContact CG2-CD2 3.87Å; V311-F339 HydrophobicContact CG2-CE2 3.85Å; M314-F339 HydrophobicContact CE-CB 4.44Å; F335-F339 WeakPolarHBondContact O-CB 3.26Å; F335-F339 PolarHBondContact O-N 3.23Å; V336-F339 PolarHBondContact O-N 3.39Å; F339-A341 VanDerWaalsContact C-N 3.33Å; F339-A341 PolarHBondContact O-N 3.31Å; F339-L342 PolarHBondContact O-N 2.94Å; F339-Y343 HydrophobicContact CE1-CD2 4.43Å; F339-Y343 HydrophobicContact CE1-CG 4.18Å; F339-Y343 HydrophobicContact CE2-CD2 4.38Å; F339-Y343 AromaticContact CZ-CD2 3.81Å; F339-Y343 HydrophobicContact CZ-CD2 3.81Å; F339-Y343 HydrophobicContact CZ-CG 4.01Å; F339-Y343 VanDerWaalsContact O-CB 3.24Å; F339-Y343 WeakPolarHBondContact O-CB 3.4Å; F339-Y343 PolarHBondContact O-N 2.91Å
340M94.9Very high92.6Very high10 Ų1052.3 Ų52.35%0.04927%0.271CS..Hα-helixtrans-58.5-43.6178.8-74.5-180168.300112.1I262 Q266 R270 L271 V274 V336 A337 K344I262-M340 HydrophobicContact CB-CE 4.17Å; I262-M340 HydrophobicContact CG1-CE 4.08Å; I262-M340 HydrophobicContact CG2-CE 3.92Å; I262-M340 HydrophobicContact CG2-CG 3.99Å; Q266-M340 HydrophobicContact CB-CB 4.32Å; Q266-M340 HydrophobicContact CG-CB 4.15Å; Q266-M340 HydrophobicContact CG-CG 4.33Å; R270-M340 HydrophobicContact CG-CE 4.09Å; L271-M340 HydrophobicContact CB-SD 4.06Å; L271-M340 HydrophobicContact CD1-SD 4.05Å; V274-M340 HydrophobicContact CG2-CE 4.14Å; V336-M340 HydrophobicContact CG1-CE 3.85Å; V336-M340 HydrophobicContact CG1-CG 4.3Å; V336-M340 HydrophobicContact CG1-SD 4.11Å; V336-M340 WeakPolarHBondContact O-CG 3.49Å; V336-M340 PolarHBondContact O-N 2.97Å; A337-M340 PolarHBondContact O-N 2.84Å; M340-K344 WeakPolarHBondContact O-CB 3.47Å; M340-K344 PolarHBondContact O-N 2.91Å
341A94.6Very high91.2Very high63 Ų6351.2 Ų51.252%0.52127%0.273SS..Hα-helixtrans-64.1-42.117800000112.3A337 K338 F339 K345A337-A341 PolarHBondContact O-N 2.85Å; K338-A341 PolarHBondContact O-N 2.8Å; F339-A341 VanDerWaalsContact C-N 3.33Å; F339-A341 PolarHBondContact O-N 3.31Å; A341-K345 WeakPolarHBondContact O-CB 3.41Å; A341-K345 PolarHBondContact O-N 3.29Å
342L92.9Very high89.4Confident39 Ų3955.9 Ų55.920%0.20430%0.295CS..Hα-helixtrans-69.5-47.8179.1-175.967.5000111.7L307 E310 V311 M314 K338 F339 K344 K345 F346L307-L342 HydrophobicContact CD1-CD2 3.61Å; L307-L342 HydrophobicContact CD1-CG 3.79Å; E310-L342 HydrophobicContact CB-CD2 4.16Å; V311-L342 HydrophobicContact CG2-CD2 4.47Å; M314-L342 HydrophobicContact SD-CD2 3.72Å; K338-L342 WeakPolarHBondContact O-CB 3.28Å; K338-L342 PolarHBondContact O-N 2.71Å; K338-L342 VanDerWaalsContact O-N 3.07Å; F339-L342 PolarHBondContact O-N 2.94Å; L342-K344 PolarHBondContact O-N 3.34Å; L342-K345 PolarHBondContact O-N 3.05Å; L342-F346 WeakPolarHBondContact O-CB 3.41Å; L342-F346 PolarHBondContact O-N 3.47Å
343Y92.5Very high87.5Confident31 Ų3158.6 Ų58.612%0.12232%0.323CS..Hα-helixtrans-63.5-41.6-178.9-171.1-99.4000111.6V263 Q266 L307 F339 F346 M347V263-Y343 HydrophobicContact CG1-CE1 4.23Å; Q266-Y343 HydrophobicContact CG-CD1 4.35Å; L307-Y343 HydrophobicContact CD2-CD2 3.7Å; L307-Y343 HydrophobicContact CD2-CE2 4.35Å; F339-Y343 HydrophobicContact CE1-CD2 4.43Å; F339-Y343 HydrophobicContact CE1-CG 4.18Å; F339-Y343 HydrophobicContact CE2-CD2 4.38Å; F339-Y343 AromaticContact CZ-CD2 3.81Å; F339-Y343 HydrophobicContact CZ-CD2 3.81Å; F339-Y343 HydrophobicContact CZ-CG 4.01Å; F339-Y343 VanDerWaalsContact O-CB 3.24Å; F339-Y343 WeakPolarHBondContact O-CB 3.4Å; F339-Y343 PolarHBondContact O-N 2.91Å; Y343-F346 PolarHBondContact O-N 2.85Å; Y343-M347 HydrophobicContact CD1-CG 4.38Å; Y343-M347 HydrophobicContact CD1-SD 3.78Å; Y343-M347 HydrophobicContact CE1-CG 4.09Å; Y343-M347 HydrophobicContact CE1-SD 3.22Å; Y343-M347 WeakPolarHBondContact CE1-SD 3.43Å; Y343-M347 WeakPolarHBondContact O-CG 3.27Å; Y343-M347 PolarHBondContact O-N 3.48Å
344K92.6Very high85.4Confident86 Ų8664.6 Ų64.637%0.37435%0.353SS..Hα-helixtrans-61.4-49175-177.9173175.4173.10111.8Q266 M340 L342 F346 M347 E348Q266-K344 HydrophobicContact CB-CB 3.86Å; Q266-K344 HydrophobicContact CB-CD 4.03Å; Q266-K344 HydrophobicContact CB-CG 4.3Å; Q266-K344 HydrophobicContact CG-CB 4.06Å; M340-K344 WeakPolarHBondContact O-CB 3.47Å; M340-K344 PolarHBondContact O-N 2.91Å; L342-K344 PolarHBondContact O-N 3.34Å; K344-F346 VanDerWaalsContact C-N 3.3Å; K344-F346 PolarHBondContact O-N 3.21Å; K344-M347 PolarHBondContact O-N 2.92Å; K344-E348 WeakPolarHBondContact CE-OE1 3.42Å; K344-E348 HydrophobicContact CG-CG 4.44Å; K344-E348 IonicContact NZ-OE1 3.33Å; K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 2.81Å
345K91.6Very high83.1Confident128 Ų12870.2 Ų70.256%0.55738%0.375SS*.Hα-helixtrans-58.9-44.2178.3-174.2179.6179.1-175.30111.3A341 L342 M347 E348 D349A341-K345 WeakPolarHBondContact O-CB 3.41Å; A341-K345 PolarHBondContact O-N 3.29Å; L342-K345 PolarHBondContact O-N 3.05Å; K345-M347 PolarHBondContact O-N 3.15Å; K345-E348 PolarHBondContact O-N 2.89Å; K345-D349 WeakPolarHBondContact CE-OD2 3.36Å; K345-D349 WeakPolarHBondContact O-CB 3.35Å; K345-D349 PolarHBondContact O-N 2.86Å
346F89.2Confident80.5Confident59 Ų5982 Ų8226%0.25943%0.427SS..Hα-helixtrans-62-41.4177.7179.4-100.2000112.8D304 Q306 L307 L342 Y343 K344 G350D304-F346 HydrophobicContact CB-CE1 3.97Å; D304-F346 HydrophobicContact CB-CZ 3.97Å; Q306-F346 VanDerWaalsContact CD-CE2 3.44Å; Q306-F346 HydrophobicContact CG-CE2 3.77Å; Q306-F346 HydrophobicContact CG-CZ 3.94Å; Q306-F346 VanDerWaalsContact NE2-CZ 3.29Å; L307-F346 HydrophobicContact CD2-CB 4.48Å; L307-F346 HydrophobicContact CD2-CD1 4.15Å; L307-F346 HydrophobicContact CD2-CG 4.31Å; L342-F346 WeakPolarHBondContact O-CB 3.41Å; L342-F346 PolarHBondContact O-N 3.47Å; Y343-F346 PolarHBondContact O-N 2.85Å; K344-F346 VanDerWaalsContact C-N 3.3Å; K344-F346 PolarHBondContact O-N 3.21Å; F346-G350 PolarHBondContact O-N 2.96Å
347M86.3Confident79.7Confident82 Ų8286.1 Ų86.140%0.40445%0.448SS..Hα-helixtrans-66-41.7175.5-76.9-17758.200112.6Y343 K344 K345 G350 L351Y343-M347 HydrophobicContact CD1-CG 4.38Å; Y343-M347 HydrophobicContact CD1-SD 3.78Å; Y343-M347 HydrophobicContact CE1-CG 4.09Å; Y343-M347 HydrophobicContact CE1-SD 3.22Å; Y343-M347 WeakPolarHBondContact CE1-SD 3.43Å; Y343-M347 WeakPolarHBondContact O-CG 3.27Å; Y343-M347 PolarHBondContact O-N 3.48Å; K344-M347 PolarHBondContact O-N 2.92Å; K345-M347 PolarHBondContact O-N 3.15Å; M347-G350 PolarHBondContact O-N 2.76Å; M347-L351 WeakPolarHBondContact O-CB 3.47Å; M347-L351 WeakPolarHBondContact O-CD1 3.4Å; M347-L351 PolarHBondContact O-N 3.06Å
348E88.1Confident78.8Confident96 Ų9688.6 Ų88.645%0.44946%0.455SS..Hα-helixtrans-65.1-49.1178.2-72.5173.9166.200111K344 K345 G350 L351 E352K344-E348 WeakPolarHBondContact CE-OE1 3.42Å; K344-E348 HydrophobicContact CG-CG 4.44Å; K344-E348 IonicContact NZ-OE1 3.33Å; K344-E348 WeakPolarHBondContact O-CG 3.49Å; K344-E348 PolarHBondContact O-N 2.81Å; K345-E348 PolarHBondContact O-N 2.89Å; E348-G350 VanDerWaalsContact C-N 3.29Å; E348-G350 PolarHBondContact O-N 2.94Å; E348-L351 PolarHBondContact O-N 3.02Å; E348-L351 VanDerWaalsContact O-N 3.16Å; E348-E352 PolarHBondContact O-N 3.03Å
349D83.8Confident77.9Confident88 Ų8887.3 Ų87.347%0.47145%0.453SS..Hα-helixtrans-61.4-36.8177.7-66.7-9.1000111.5K345 G353K345-D349 WeakPolarHBondContact CE-OD2 3.36Å; K345-D349 WeakPolarHBondContact O-CB 3.35Å; K345-D349 PolarHBondContact O-N 2.86Å; D349-G353 PolarHBondContact O-N 3.4Å; D349-G353 VanDerWaalsContact O-N 3.13Å
350G75.3Confident76.8Confident37 Ų3792.4 Ų92.438%0.38148%0.48SS..Hα-helixtrans-70.8-33.8176.200000114F346 M347 E348 M354F346-G350 PolarHBondContact O-N 2.96Å; M347-G350 PolarHBondContact O-N 2.76Å; E348-G350 VanDerWaalsContact C-N 3.29Å; E348-G350 PolarHBondContact O-N 2.94Å; G350-M354 PolarHBondContact O-N 3.27Å
351L65Low75.7Confident97 Ų9797.5 Ų97.551%0.50851%0.507SS..Hα-helixtrans-69.8-40.2174.3-91.8152.3000111.5M347 E348 G353 M354 M355M347-L351 WeakPolarHBondContact O-CB 3.47Å; M347-L351 WeakPolarHBondContact O-CD1 3.4Å; M347-L351 PolarHBondContact O-N 3.06Å; E348-L351 PolarHBondContact O-N 3.02Å; E348-L351 VanDerWaalsContact O-N 3.16Å; L351-G353 VanDerWaalsContact C-N 3.33Å; L351-M354 PolarHBondContact O-N 3.25Å; L351-M355 HydrophobicContact CD2-CE 4.48Å; L351-M355 PolarHBondContact O-N 2.77Å
352E59.9Low74.4Confident129 Ų12999.8 Ų99.860%0.60351%0.506SS*.Hα-helixtrans-63.9-39.1174.4-72-174.4172.900111.6E348 M354 M355 F356E348-E352 PolarHBondContact O-N 3.03Å; E352-M354 VanDerWaalsContact C-N 3.29Å; E352-M354 PolarHBondContact O-N 2.89Å; E352-M355 PolarHBondContact O-N 3.49Å; E352-F356 WeakPolarHBondContact O-CD2 3.48Å
353G55.8Low73.1Confident58 Ų58104.1 Ų104.160%0.59853%0.527SS*.Hα-helixtrans-68.5-17.7176.600000115.8D349 L351D349-G353 PolarHBondContact O-N 3.4Å; D349-G353 VanDerWaalsContact O-N 3.13Å; L351-G353 VanDerWaalsContact C-N 3.33Å
354M52.3Low71.6Confident169 Ų169109.8 Ų109.883%0.83356%0.559SS**Hα-helixtrans-94.4-12.8175.2-74.6-177.4176.600113.6G350 L351 E352G350-M354 PolarHBondContact O-N 3.27Å; L351-M354 PolarHBondContact O-N 3.25Å; E352-M354 VanDerWaalsContact C-N 3.29Å; E352-M354 PolarHBondContact O-N 2.89Å
355M48.7Very low69.9Low152 Ų152111.8 Ų111.875%0.74957%0.574SS**  trans-90.12.9178.5-73.1-164.1-158.100113.8L351 E352L351-M355 HydrophobicContact CD2-CE 4.48Å; L351-M355 PolarHBondContact O-N 2.77Å; E352-M355 PolarHBondContact O-N 3.49Å
356F42.3Very low67.9Low246 Ų246110.3 Ų110.3100%1.07958%0.576SS**  trans-114.80176.2-74.8-72.6000113E352E352-F356 WeakPolarHBondContact O-CD2 3.48Å

Retrieved 356 of 356 residues in 94.5 ms (Link to these results)

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