A0A077ZHQ8_TRITR Loading...

DUF45 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZHQ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 167 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
1M51.4Low82.6Confident223 Ų22371 Ų71100%1.09941%0.408SS*.  0127.40-78-172.3168.400108.1N3M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.15Å
2S61.8Low83.6Confident45 Ų4573.8 Ų73.832%0.31542%0.415SS..  trans-59.7116.5179.6-46.10000109.7L4S2-L4 PolarHBondContact O-N 3.22Å; S2-L4 VanDerWaalsContact O-N 3.08Å
3N77.5Confident84.5Confident108 Ų10879.9 Ų79.958%0.57844%0.438SS*.  trans-68.8107.4179.1-171.1-4.1000108.5M1 T5M1-N3 PolarHBondContact O-N 3.15Å; M1-N3 VanDerWaalsContact O-N 3.15Å; N3-T5 PolarHBondContact O-N 3.48Å; N3-T5 PolarHBondContact O-OG1 3.32Å
4L88Confident85.2Confident12 Ų1277.5 Ų77.56%0.06342%0.424CS..  trans-77.263.3180-62.9-176.2000110.8S2 Y6 L7 Q8 L15 V18 R19 I22 T158S2-L4 PolarHBondContact O-N 3.22Å; S2-L4 VanDerWaalsContact O-N 3.08Å; L4-Y6 VanDerWaalsContact C-N 3.27Å; L4-Y6 PolarHBondContact O-N 2.66Å; L4-L7 HydrophobicContact CB-CB 4.17Å; L4-L7 HydrophobicContact CB-CD1 4.3Å; L4-L7 HydrophobicContact CD1-CD1 4.31Å; L4-L7 HydrophobicContact CD2-CD1 4.33Å; L4-L7 PolarHBondContact O-N 3.08Å; L4-Q8 PolarHBondContact O-N 2.89Å; L4-L15 HydrophobicContact CD1-CB 4.03Å; L4-L15 HydrophobicContact CD1-CD2 3.76Å; L4-L15 HydrophobicContact CD1-CG 4.44Å; L4-V18 HydrophobicContact CD1-CB 4.37Å; L4-V18 HydrophobicContact CD1-CG1 4.23Å; L4-V18 HydrophobicContact CD2-CG1 4.03Å; L4-R19 HydrophobicContact CD1-CG 3.93Å; L4-R19 HydrophobicContact CG-CG 4.46Å; L4-I22 HydrophobicContact CD2-CD1 3.53Å; L4-T158 HydrophobicContact CD2-CG2 4.03Å
5T87.1Confident85.9Confident34 Ų3473.5 Ų73.521%0.20940%0.402CS..G310 helixtrans-54.3-38.3-168.5-64.30000113.5N3 Q8 K78N3-T5 PolarHBondContact O-N 3.48Å; N3-T5 PolarHBondContact O-OG1 3.32Å; T5-Q8 WeakPolarHBondContact O-CG 3.49Å; T5-K78 HydrophobicContact CG2-CB 4.07Å; T5-K78 HydrophobicContact CG2-CD 3.69Å; T5-K78 HydrophobicContact CG2-CG 3.45Å; T5-K78 VanDerWaalsContact CG2-CG 3.45Å; T5-K78 WeakPolarHBondContact O-CB 3.47Å
6Y90.4Very high86.5Confident42 Ų4272.1 Ų72.117%0.16540%0.399CS..G310 helixtrans-88.8-7.9-178.1-57.6-73.3000114.2L4 V76 R154 L157L4-Y6 VanDerWaalsContact C-N 3.27Å; L4-Y6 PolarHBondContact O-N 2.66Å; Y6-V76 HydrophobicContact CD1-CG1 4.36Å; Y6-V76 HydrophobicContact CE1-CB 4.37Å; Y6-V76 HydrophobicContact CE1-CG1 4.01Å; Y6-R154 WeakPolarHBondContact O-CD 3.36Å; Y6-R154 WeakPolarHBondContact O-CG 3.41Å; Y6-R154 PolarHBondContact O-NH1 3.47Å; Y6-R154 VanDerWaalsContact O-NH1 3.08Å; Y6-L157 HydrophobicContact CD1-CB 4.21Å; Y6-L157 HydrophobicContact CD1-CD1 4.19Å; Y6-L157 HydrophobicContact CD2-CB 3.74Å; Y6-L157 HydrophobicContact CE1-CB 4.31Å; Y6-L157 HydrophobicContact CE1-CD1 4.42Å; Y6-L157 HydrophobicContact CE2-CB 3.86Å; Y6-L157 WeakPolarHBondContact CE2-O 3.43Å; Y6-L157 HydrophobicContact CG-CB 3.92Å
7L90.7Very high87.1Confident0 Ų074.5 Ų74.50%041%0.407CS..G310 helixtrans-112.919.8-175.7-55.5165.9000111.4L4 G9 Y10 L15 V18 F151 R154 L155L4-L7 HydrophobicContact CB-CB 4.17Å; L4-L7 HydrophobicContact CB-CD1 4.3Å; L4-L7 HydrophobicContact CD1-CD1 4.31Å; L4-L7 HydrophobicContact CD2-CD1 4.33Å; L4-L7 PolarHBondContact O-N 3.08Å; L7-G9 PolarHBondContact O-N 3.22Å; L7-Y10 HydrophobicContact CB-CD2 4.16Å; L7-Y10 HydrophobicContact CD2-CD2 4.32Å; L7-Y10 HydrophobicContact CD2-CE2 4.3Å; L7-Y10 WeakPolarHBondContact O-CD2 3.35Å; L7-Y10 PolarHBondContact O-N 3.31Å; L7-L15 HydrophobicContact CB-CD2 3.78Å; L7-L15 WeakPolarHBondContact O-CD2 3.3Å; L7-V18 HydrophobicContact CD1-CB 4.43Å; L7-V18 HydrophobicContact CD1-CG1 3.78Å; L7-V18 HydrophobicContact CD1-CG2 4.28Å; L7-F151 HydrophobicContact CD2-CD2 4.1Å; L7-F151 HydrophobicContact CD2-CE2 3.82Å; L7-R154 HydrophobicContact CD2-CB 3.53Å; L7-R154 HydrophobicContact CG-CB 4.45Å; L7-L155 HydrophobicContact CD1-CD2 3.69Å; L7-L155 HydrophobicContact CD2-CD2 4.03Å; L7-L155 HydrophobicContact CG-CD2 4.49Å
8Q88.2Confident87.6Confident87 Ų8770.7 Ų70.741%0.40739%0.386SS..THydrogen-bonded Turntrans-60.4134.5174.6-66.4-172.9-26.500110L4 T5L4-Q8 PolarHBondContact O-N 2.89Å; T5-Q8 WeakPolarHBondContact O-CG 3.49Å
9G87.8Confident88Confident83 Ų8370 Ų7086%0.85638%0.377SS*.THydrogen-bonded Turntrans89.8-8.8-179.800000115.6L7L7-G9 PolarHBondContact O-N 3.22Å
10Y91.3Very high88.4Confident59 Ų5969.9 Ų69.923%0.23138%0.379CS..SBendtrans-74.1151.4171.5-75.2-90.9000111.6L7 L14 L15 F151 R154L7-Y10 HydrophobicContact CB-CD2 4.16Å; L7-Y10 HydrophobicContact CD2-CD2 4.32Å; L7-Y10 HydrophobicContact CD2-CE2 4.3Å; L7-Y10 WeakPolarHBondContact O-CD2 3.35Å; L7-Y10 PolarHBondContact O-N 3.31Å; Y10-L14 HydrophobicContact CD1-CD1 4.38Å; Y10-L14 HydrophobicContact CD1-CD2 4.35Å; Y10-L14 HydrophobicContact CG-CD2 4.32Å; Y10-L15 WeakPolarHBondContact O-CD1 3.49Å; Y10-F151 AromaticContact CD1-CD2 3.94Å; Y10-F151 HydrophobicContact CD1-CD2 3.94Å; Y10-F151 HydrophobicContact CD1-CE2 4.14Å; Y10-F151 HydrophobicContact CE1-CB 4.41Å; Y10-F151 AromaticContact CE1-CD2 3.45Å; Y10-F151 HydrophobicContact CE1-CD2 3.45Å; Y10-F151 VanDerWaalsContact CE1-CD2 3.45Å; Y10-F151 HydrophobicContact CE1-CE2 4.13Å; Y10-F151 HydrophobicContact CE1-CG 4.26Å; Y10-F151 HydrophobicContact CE2-CD2 4.25Å; Y10-F151 AromaticContact CZ-CD2 3.62Å; Y10-R154 WeakPolarHBondContact OH-CD 3.33Å
11P94.5Very high88.8Confident88 Ų8868.5 Ų68.557%0.57137%0.371SS*.  trans-57.8142.8179.8-25.334.4000113.4Q13 L14 L15P11-Q13 PolarHBondContact O-N 3Å; P11-Q13 VanDerWaalsContact O-N 3.14Å; P11-L14 WeakPolarHBondContact O-CB 3.44Å; P11-L14 PolarHBondContact O-N 2.93Å; P11-L15 PolarHBondContact O-N 3.25Å
12E94.5Very high90.9Very high105 Ų10558.8 Ų58.849%0.49132%0.324SS..Hα-helixtrans-60.1-30-175-174.754.1-14700113.6L14 L15 S16 R19E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.38Å; E12-L15 PolarHBondContact O-N 3.44Å; E12-S16 WeakPolarHBondContact O-CB 3.27Å; E12-S16 PolarHBondContact O-N 3.35Å; E12-S16 PolarHBondContact O-OG 3.25Å; E12-S16 PolarHBondContact OE1-OG 2.86Å; E12-R19 IonicContact OE1-CZ 3.97Å; E12-R19 IonicContact OE1-NH1 2.79Å; E12-R19 PolarHBondContact OE1-NH1 2.82Å; E12-R19 IonicContact OE1-NH2 3.71Å; E12-R19 IonicContact OE2-NH1 3.59Å; E12-R19 IonicContact OE2-NH2 3.65Å
13Q95.1Very high92.5Very high153 Ų15362.5 Ų62.572%0.71534%0.34SS*.Hα-helixtrans-60.2-43.9173.7-177.5-179-2.200111.7P11 Q17P11-Q13 PolarHBondContact O-N 3Å; P11-Q13 VanDerWaalsContact O-N 3.14Å; Q13-Q17 WeakPolarHBondContact O-CG 3.39Å; Q13-Q17 PolarHBondContact O-N 3.24Å
14L94.7Very high93.4Very high46 Ų4662 Ų6224%0.24133%0.334CS..Hα-helixtrans-70.5-42.5177.9180151.7000110.3Y10 P11 E12 S16 Q17 V18 F151Y10-L14 HydrophobicContact CD1-CD1 4.38Å; Y10-L14 HydrophobicContact CD1-CD2 4.35Å; Y10-L14 HydrophobicContact CG-CD2 4.32Å; P11-L14 WeakPolarHBondContact O-CB 3.44Å; P11-L14 PolarHBondContact O-N 2.93Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.38Å; L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 PolarHBondContact O-N 3.2Å; L14-Q17 PolarHBondContact O-N 3.41Å; L14-V18 HydrophobicContact CD2-CG2 4.14Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3.47Å; L14-F151 HydrophobicContact CD1-CE1 4.26Å; L14-F151 HydrophobicContact CD1-CE2 3.78Å; L14-F151 HydrophobicContact CD1-CZ 3.62Å; L14-F151 HydrophobicContact CD2-CD2 4.47Å; L14-F151 HydrophobicContact CD2-CE2 3.3Å; L14-F151 HydrophobicContact CD2-CZ 3.45Å; L14-F151 VanDerWaalsContact CD2-CZ 3.45Å; L14-F151 HydrophobicContact CG-CE2 4.04Å; L14-F151 HydrophobicContact CG-CZ 3.81Å
15L95.4Very high93.7Very high17 Ų1768.8 Ų68.89%0.08937%0.365CS..Hα-helixtrans-60.5-38.8176.6-61.9-177.5000111.8L4 L7 Y10 P11 E12 V18 R19L4-L15 HydrophobicContact CD1-CB 4.03Å; L4-L15 HydrophobicContact CD1-CD2 3.76Å; L4-L15 HydrophobicContact CD1-CG 4.44Å; L7-L15 HydrophobicContact CB-CD2 3.78Å; L7-L15 WeakPolarHBondContact O-CD2 3.3Å; Y10-L15 WeakPolarHBondContact O-CD1 3.49Å; P11-L15 PolarHBondContact O-N 3.25Å; E12-L15 PolarHBondContact O-N 3.44Å; L15-V18 PolarHBondContact O-N 3.32Å; L15-R19 WeakPolarHBondContact O-CG 3.35Å; L15-R19 PolarHBondContact O-N 3.15Å
16S95.6Very high94.2Very high52 Ų5273.1 Ų73.136%0.36438%0.378SS..Hα-helixtrans-61.9-44.6175.6-65.20000111.9E12 L14 V18 R19 T20E12-S16 WeakPolarHBondContact O-CB 3.27Å; E12-S16 PolarHBondContact O-N 3.35Å; E12-S16 PolarHBondContact O-OG 3.25Å; E12-S16 PolarHBondContact OE1-OG 2.86Å; L14-S16 VanDerWaalsContact C-N 3.27Å; L14-S16 PolarHBondContact O-N 3.2Å; S16-V18 VanDerWaalsContact C-N 3.33Å; S16-V18 PolarHBondContact O-N 2.82Å; S16-R19 PolarHBondContact O-N 3.07Å; S16-T20 PolarHBondContact O-N 3.35Å; S16-T20 PolarHBondContact O-OG1 3.06Å
17Q95.9Very high94.5Very high113 Ų11371.2 Ų71.253%0.52837%0.371SS..Hα-helixtrans-61.2-42.1175.4-68.1173.61700112Q13 L14 T20 L21Q13-Q17 WeakPolarHBondContact O-CG 3.39Å; Q13-Q17 PolarHBondContact O-N 3.24Å; L14-Q17 PolarHBondContact O-N 3.41Å; Q17-T20 PolarHBondContact O-N 2.9Å; Q17-L21 PolarHBondContact O-N 3.14Å
18V96.3Very high94.7Very high5 Ų572.2 Ų72.23%0.0338%0.381CS..Hα-helixtrans-63.6-43.2176.3176.20000111.1L4 L7 L14 L15 S16 T20 L21 I22 F151 L155L4-V18 HydrophobicContact CD1-CB 4.37Å; L4-V18 HydrophobicContact CD1-CG1 4.23Å; L4-V18 HydrophobicContact CD2-CG1 4.03Å; L7-V18 HydrophobicContact CD1-CB 4.43Å; L7-V18 HydrophobicContact CD1-CG1 3.78Å; L7-V18 HydrophobicContact CD1-CG2 4.28Å; L14-V18 HydrophobicContact CD2-CG2 4.14Å; L14-V18 WeakPolarHBondContact O-CG2 3.33Å; L14-V18 PolarHBondContact O-N 3.47Å; L15-V18 PolarHBondContact O-N 3.32Å; S16-V18 VanDerWaalsContact C-N 3.33Å; S16-V18 PolarHBondContact O-N 2.82Å; V18-T20 VanDerWaalsContact C-N 3.32Å; V18-T20 PolarHBondContact O-N 3.31Å; V18-L21 PolarHBondContact O-N 3.18Å; V18-I22 HydrophobicContact CG1-CD1 3.77Å; V18-I22 HydrophobicContact CG1-CG1 4.41Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 3.45Å; V18-F151 HydrophobicContact CG2-CZ 4.47Å; V18-L155 HydrophobicContact CB-CD2 4.42Å; V18-L155 HydrophobicContact CG1-CD2 3.93Å; V18-L155 HydrophobicContact CG2-CD2 3.54Å
19R95.8Very high95.1Very high58 Ų5873.5 Ų73.522%0.21939%0.39CS..Hα-helixtrans-61.1-40.5175.7-70.3-177.9-164.2105.9-8.4111.8L4 E12 L15 S16 I22 N23L4-R19 HydrophobicContact CD1-CG 3.93Å; L4-R19 HydrophobicContact CG-CG 4.46Å; E12-R19 IonicContact OE1-CZ 3.97Å; E12-R19 IonicContact OE1-NH1 2.79Å; E12-R19 PolarHBondContact OE1-NH1 2.82Å; E12-R19 IonicContact OE1-NH2 3.71Å; E12-R19 IonicContact OE2-NH1 3.59Å; E12-R19 IonicContact OE2-NH2 3.65Å; L15-R19 WeakPolarHBondContact O-CG 3.35Å; L15-R19 PolarHBondContact O-N 3.15Å; S16-R19 PolarHBondContact O-N 3.07Å; R19-I22 PolarHBondContact O-N 3.34Å; R19-N23 WeakPolarHBondContact O-CB 3.33Å; R19-N23 PolarHBondContact O-N 3.19Å; R19-N23 PolarHBondContact O-ND2 3Å
20T96.5Very high95.5Very high67 Ų6772.6 Ų72.641%0.41137%0.368SS..Hα-helixtrans-59.7-49.5173.9-60.40000111.2S16 Q17 V18 I22 N23 E24S16-T20 PolarHBondContact O-N 3.35Å; S16-T20 PolarHBondContact O-OG1 3.06Å; Q17-T20 PolarHBondContact O-N 2.9Å; V18-T20 VanDerWaalsContact C-N 3.32Å; V18-T20 PolarHBondContact O-N 3.31Å; T20-I22 VanDerWaalsContact C-N 3.27Å; T20-I22 PolarHBondContact O-N 3.03Å; T20-N23 PolarHBondContact O-N 3.25Å; T20-E24 HydrophobicContact CG2-CG 4.38Å; T20-E24 WeakPolarHBondContact CG2-OE1 3.44Å; T20-E24 WeakPolarHBondContact O-CB 3.48Å; T20-E24 WeakPolarHBondContact O-CG 3.5Å; T20-E24 PolarHBondContact O-N 3.17Å
21L96.5Very high95.8Very high41 Ų4170.3 Ų70.322%0.21536%0.36CS..Hα-helixtrans-60-36.3177.6-71.3174.7000113Q17 V18 Q25 R26 L27 V30Q17-L21 PolarHBondContact O-N 3.14Å; V18-L21 PolarHBondContact O-N 3.18Å; L21-Q25 PolarHBondContact O-N 3.3Å; L21-R26 HydrophobicContact CD2-CB 4.11Å; L21-R26 PolarHBondContact O-N 2.96Å; L21-L27 HydrophobicContact CB-CB 4.17Å; L21-L27 HydrophobicContact CD1-CD1 4.41Å; L21-L27 PolarHBondContact O-N 3.43Å; L21-V30 HydrophobicContact CD2-CG2 4.17Å
22I95.8Very high95.9Very high20 Ų2068.9 Ų68.910%0.10336%0.356CS..Hα-helixtrans-68.9-47.7176.3-69.6166.2000110.8L4 V18 R19 T20 E24 Q25 L27 T158 L162L4-I22 HydrophobicContact CD2-CD1 3.53Å; V18-I22 HydrophobicContact CG1-CD1 3.77Å; V18-I22 HydrophobicContact CG1-CG1 4.41Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.49Å; V18-I22 PolarHBondContact O-N 3.45Å; R19-I22 PolarHBondContact O-N 3.34Å; T20-I22 VanDerWaalsContact C-N 3.27Å; T20-I22 PolarHBondContact O-N 3.03Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 2.96Å; I22-Q25 PolarHBondContact O-N 3.02Å; I22-L27 HydrophobicContact CD1-CD2 4.16Å; I22-L27 HydrophobicContact CG1-CB 4.28Å; I22-L27 HydrophobicContact CG1-CD2 3.68Å; I22-T158 HydrophobicContact CD1-CG2 4.13Å; I22-L162 HydrophobicContact CB-CD1 4.32Å; I22-L162 HydrophobicContact CD1-CD1 3.91Å; I22-L162 HydrophobicContact CG1-CD1 3.72Å; I22-L162 HydrophobicContact CG2-CD1 3.7Å; I22-L162 HydrophobicContact CG2-CD2 4.23Å
23N94.9Very high96Very high123 Ų12372.9 Ų72.966%0.65837%0.371SS*.Hα-helixtrans-62.3-36.6-179.9-70.2-18.9000111.7R19 T20 Q25R19-N23 WeakPolarHBondContact O-CB 3.33Å; R19-N23 PolarHBondContact O-N 3.19Å; R19-N23 PolarHBondContact O-ND2 3Å; T20-N23 PolarHBondContact O-N 3.25Å; N23-Q25 PolarHBondContact O-N 3.46Å
24E96.1Very high96.1Very high98 Ų9871.2 Ų71.246%0.45836%0.359SS..THydrogen-bonded Turntrans-80.5-0.4175.7-65.9178.1-177.600113.4T20 I22 R26T20-E24 HydrophobicContact CG2-CG 4.38Å; T20-E24 WeakPolarHBondContact CG2-OE1 3.44Å; T20-E24 WeakPolarHBondContact O-CB 3.48Å; T20-E24 WeakPolarHBondContact O-CG 3.5Å; T20-E24 PolarHBondContact O-N 3.17Å; I22-E24 VanDerWaalsContact C-N 3.26Å; I22-E24 PolarHBondContact O-N 2.96Å; E24-R26 HydrophobicContact CB-CB 4.47Å; E24-R26 HydrophobicContact CB-CG 4.06Å; E24-R26 WeakPolarHBondContact O-CG 3.46Å; E24-R26 PolarHBondContact O-N 3.3Å; E24-R26 VanDerWaalsContact OE2-CD 3.27Å; E24-R26 WeakPolarHBondContact OE2-CD 3.45Å; E24-R26 IonicContact OE2-CZ 3.65Å; E24-R26 IonicContact OE2-NE 2.89Å; E24-R26 IonicContact OE2-NH1 3.43Å; E24-R26 PolarHBondContact OE2-NH1 3.24Å
25Q94.9Very high96.3Very high153 Ų15370.1 Ų70.172%0.71535%0.351SS*.THydrogen-bonded Turntrans57.925.9-175.4-55.3-175.1600114.7L21 I22 N23L21-Q25 PolarHBondContact O-N 3.3Å; I22-Q25 PolarHBondContact O-N 3.02Å; N23-Q25 PolarHBondContact O-N 3.46Å
26R96.8Very high96.2Very high126 Ų12674.3 Ų74.348%0.47538%0.38SS..  trans-100.5-11.1-175.5-70.616967.4-156.81.6114.3L21 E24 G28 D29 V30L21-R26 HydrophobicContact CD2-CB 4.11Å; L21-R26 PolarHBondContact O-N 2.96Å; E24-R26 HydrophobicContact CB-CB 4.47Å; E24-R26 HydrophobicContact CB-CG 4.06Å; E24-R26 WeakPolarHBondContact O-CG 3.46Å; E24-R26 PolarHBondContact O-N 3.3Å; E24-R26 VanDerWaalsContact OE2-CD 3.27Å; E24-R26 WeakPolarHBondContact OE2-CD 3.45Å; E24-R26 IonicContact OE2-CZ 3.65Å; E24-R26 IonicContact OE2-NE 2.89Å; E24-R26 IonicContact OE2-NH1 3.43Å; E24-R26 PolarHBondContact OE2-NH1 3.24Å; R26-G28 VanDerWaalsContact C-N 3.32Å; R26-G28 PolarHBondContact O-N 3.25Å; R26-D29 PolarHBondContact O-N 2.71Å; R26-V30 WeakPolarHBondContact O-CG2 3.39Å; R26-V30 PolarHBondContact O-N 3.01Å
27L96.3Very high96.1Very high2 Ų274.6 Ų74.61%0.0139%0.391CS..Hα-helixtrans-56.8-45.8-178.517962.6000111.8L21 I22 V30 L31 L155 Q159 L162L21-L27 HydrophobicContact CB-CB 4.17Å; L21-L27 HydrophobicContact CD1-CD1 4.41Å; L21-L27 PolarHBondContact O-N 3.43Å; I22-L27 HydrophobicContact CD1-CD2 4.16Å; I22-L27 HydrophobicContact CG1-CB 4.28Å; I22-L27 HydrophobicContact CG1-CD2 3.68Å; L27-V30 PolarHBondContact O-N 3.21Å; L27-L31 HydrophobicContact CD1-CD1 4.21Å; L27-L31 HydrophobicContact CD1-CG 4.46Å; L27-L31 HydrophobicContact CG-CD1 4.13Å; L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 2.84Å; L27-L31 VanDerWaalsContact O-N 3.07Å; L27-L155 HydrophobicContact CD1-CB 4.4Å; L27-L155 HydrophobicContact CD1-CD2 4.47Å; L27-Q159 HydrophobicContact CD2-CB 4.11Å; L27-Q159 HydrophobicContact CG-CB 4.35Å; L27-L162 HydrophobicContact CD2-CD1 4.48Å
28G95.2Very high96.1Very high20 Ų2073.5 Ų73.521%0.20639%0.392CS..Hα-helixtrans-59.1-45.1176.100000112.9R26 L31 A32R26-G28 VanDerWaalsContact C-N 3.32Å; R26-G28 PolarHBondContact O-N 3.25Å; G28-L31 PolarHBondContact O-N 3.45Å; G28-A32 VanDerWaalsContact O-CB 3.32Å; G28-A32 WeakPolarHBondContact O-CB 3.4Å; G28-A32 PolarHBondContact O-N 2.79Å
29D96.5Very high96.1Very high114 Ų11473.8 Ų73.861%0.6139%0.393SS*.Hα-helixtrans-65.4-41.4179.7-63.5-21.8000112.4R26 L31 A32 K33R26-D29 PolarHBondContact O-N 2.71Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 2.71Å; D29-A32 PolarHBondContact O-N 3.37Å; D29-K33 VanDerWaalsContact O-CB 3.25Å; D29-K33 WeakPolarHBondContact O-CB 3.45Å; D29-K33 PolarHBondContact O-N 3.4Å
30V97.1Very high96.1Very high64 Ų6478.2 Ų78.239%0.38842%0.421SS..Hα-helixtrans-61.1-45.1176.3170.30000110.5L21 R26 L27 R34L21-V30 HydrophobicContact CD2-CG2 4.17Å; R26-V30 WeakPolarHBondContact O-CG2 3.39Å; R26-V30 PolarHBondContact O-N 3.01Å; L27-V30 PolarHBondContact O-N 3.21Å; V30-R34 WeakPolarHBondContact O-CB 3.36Å; V30-R34 PolarHBondContact O-N 3.41Å; V30-R34 VanDerWaalsContact O-N 3.14Å
31L97.1Very high96.2Very high11 Ų1178.9 Ų78.96%0.05842%0.417CS..Hα-helixtrans-66.3-46177.4-72.6167.7000111.8L27 G28 D29 K33 R34 Y35 F114 L155 W156 Q159L27-L31 HydrophobicContact CD1-CD1 4.21Å; L27-L31 HydrophobicContact CD1-CG 4.46Å; L27-L31 HydrophobicContact CG-CD1 4.13Å; L27-L31 WeakPolarHBondContact O-CG 3.32Å; L27-L31 PolarHBondContact O-N 2.84Å; L27-L31 VanDerWaalsContact O-N 3.07Å; G28-L31 PolarHBondContact O-N 3.45Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 2.71Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.19Å; L31-R34 PolarHBondContact O-N 3.37Å; L31-Y35 HydrophobicContact CD2-CD2 4.47Å; L31-Y35 PolarHBondContact O-N 2.96Å; L31-F114 HydrophobicContact CD2-CZ 4.45Å; L31-L155 HydrophobicContact CD1-CB 4.43Å; L31-L155 HydrophobicContact CD2-CB 4.17Å; L31-W156 HydrophobicContact CD1-CB 4.17Å; L31-W156 HydrophobicContact CD2-CB 4.49Å; L31-Q159 HydrophobicContact CD1-CB 3.91Å; L31-Q159 HydrophobicContact CD1-CG 4.39Å
32A96.1Very high96.1Very high59 Ų5978.5 Ų78.549%0.48842%0.419SS..Hα-helixtrans-64-35.3179.900000112.3G28 D29 P36G28-A32 VanDerWaalsContact O-CB 3.32Å; G28-A32 WeakPolarHBondContact O-CB 3.4Å; G28-A32 PolarHBondContact O-N 2.79Å; D29-A32 PolarHBondContact O-N 3.37Å; A32-P36 WeakPolarHBondContact O-CA 3.46Å
33K97.7Very high96.2Very high188 Ų18881.1 Ų81.182%0.81744%0.436SS*.Hα-helixtrans-67.5-39.3174.3-175.4177.8-179.3179.20112.2D29 L31D29-K33 VanDerWaalsContact O-CB 3.25Å; D29-K33 WeakPolarHBondContact O-CB 3.45Å; D29-K33 PolarHBondContact O-N 3.4Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.19Å
34R97.4Very high96.3Very high119 Ų11978.4 Ų78.445%0.44942%0.422SS..Hα-helixtrans-81.8-35.4-176.9-170.3173.7-177.8-179.64.1112.9V30 L31 Q148 D152V30-R34 WeakPolarHBondContact O-CB 3.36Å; V30-R34 PolarHBondContact O-N 3.41Å; V30-R34 VanDerWaalsContact O-N 3.14Å; L31-R34 PolarHBondContact O-N 3.37Å; R34-Q148 VanDerWaalsContact NH2-CG 3.26Å; R34-D152 IonicContact CZ-OD2 3.63Å; R34-D152 IonicContact NE-OD2 3.49Å; R34-D152 IonicContact NH1-OD1 2.89Å; R34-D152 PolarHBondContact NH1-OD1 2.94Å; R34-D152 IonicContact NH1-OD2 3.45Å; R34-D152 PolarHBondContact NH1-OD2 2.89Å; R34-D152 IonicContact NH2-OD2 2.89Å
35Y97.7Very high96.4Very high22 Ų2282.3 Ų82.39%0.08644%0.437CS..SBendtrans-129.771.9-175.3-59.6-70.6000109.7L31 P113 F114 L149 D152L31-Y35 HydrophobicContact CD2-CD2 4.47Å; L31-Y35 PolarHBondContact O-N 2.96Å; Y35-P113 HydrophobicContact CD1-CB 4.11Å; Y35-P113 HydrophobicContact CD1-CG 3.94Å; Y35-P113 HydrophobicContact CE1-CB 3.96Å; Y35-P113 HydrophobicContact CE1-CG 4.13Å; Y35-F114 HydrophobicContact CD1-CE1 4.13Å; Y35-F114 HydrophobicContact CD1-CZ 4.37Å; Y35-F114 AromaticContact CD2-CE1 3.72Å; Y35-F114 HydrophobicContact CD2-CE1 3.72Å; Y35-F114 HydrophobicContact CD2-CE2 4.42Å; Y35-F114 AromaticContact CD2-CZ 3.38Å; Y35-F114 HydrophobicContact CD2-CZ 3.38Å; Y35-F114 HydrophobicContact CE1-CE1 4.09Å; Y35-F114 AromaticContact CE2-CE1 3.67Å; Y35-F114 HydrophobicContact CE2-CE1 3.67Å; Y35-F114 AromaticContact CE2-CZ 3.73Å; Y35-F114 HydrophobicContact CE2-CZ 3.73Å; Y35-F114 AromaticContact CG-CE1 3.95Å; Y35-F114 HydrophobicContact CG-CE1 3.95Å; Y35-F114 AromaticContact CG-CZ 3.74Å; Y35-F114 HydrophobicContact CG-CZ 3.74Å; Y35-F114 AromaticContact CZ-CE1 3.87Å; Y35-L149 HydrophobicContact CE1-CD2 3.89Å; Y35-L149 WeakPolarHBondContact OH-CD2 3.46Å; Y35-D152 HydrophobicContact CE2-CB 3.73Å; Y35-D152 PolarHBondContact OH-OD2 3.25Å
36P94.2Very high96.5Very high106 Ų10676.1 Ų76.169%0.68841%0.412SS*.  trans-69.4141.3-178.929.1-34.8000111.1A32A32-P36 WeakPolarHBondContact O-CA 3.46Å
37G92.7Very high96.5Very high58 Ų5870.1 Ų70.160%0.59839%0.39SS*.SBendtrans74.7-171.2171.200000115
38T95.7Very high96.6Very high89 Ų8974 Ų7455%0.54640%0.404SS..  trans-126157.7-179.461.10000109.4N109 A110T38-N109 HydrophobicContact CG2-CB 4.43Å; T38-N109 WeakPolarHBondContact CG2-O 3.28Å; T38-A110 WeakPolarHBondContact CA-O 3.31Å
39H97.3Very high96.8Very high11 Ų1177.9 Ų77.95%0.05142%0.417CS..  trans-80.3164174.865.755.6000113.2Y41 Y70 F107 R108 A110 E112 L115H39-Y41 HydrophobicContact CB-CD2 3.9Å; H39-Y41 HydrophobicContact CB-CE2 4.42Å; H39-Y41 PolarHBondContact ND1-N 3.14Å; H39-Y41 VanDerWaalsContact ND1-N 3.15Å; H39-Y70 PolarHBondContact CE1-OH 3.23Å; H39-F107 PolarHBondContact CE1-O 2.82Å; H39-F107 PolarHBondContact NE2-O 2.98Å; H39-R108 PolarHBondContact CE1-O 2.79Å; H39-A110 PolarHBondContact CD2-O 3.2Å; H39-A110 PolarHBondContact N-O 2.89Å; H39-E112 HydrophobicContact CB-CB 3.76Å; H39-E112 HydrophobicContact CB-CG 4.19Å; H39-L115 VanDerWaalsContact CD2-CB 3.45Å; H39-L115 WeakPolarHBondContact CD2-CB 3.45Å
40D95.7Very high96.8Very high151 Ų15173 Ų7381%0.80739%0.39SS*.SBendtrans-90.61.1179.2-62.1-45000114.5A42D40-A42 PolarHBondContact O-N 3.32Å
41Y97.7Very high96.8Very high82 Ų8269.9 Ų69.932%0.32237%0.372SS..  trans-8039-178.6-51.1-73.4000113.6H39 T43 A46 Y50 Y70 E112 L115H39-Y41 HydrophobicContact CB-CD2 3.9Å; H39-Y41 HydrophobicContact CB-CE2 4.42Å; H39-Y41 PolarHBondContact ND1-N 3.14Å; H39-Y41 VanDerWaalsContact ND1-N 3.15Å; Y41-T43 PolarHBondContact O-N 3.24Å; Y41-T43 VanDerWaalsContact O-N 3.14Å; Y41-A46 HydrophobicContact CD1-CB 4.14Å; Y41-Y50 HydrophobicContact CD1-CD2 4.02Å; Y41-Y50 HydrophobicContact CD1-CG 4.19Å; Y41-Y50 AromaticContact CD2-CD2 3.77Å; Y41-Y50 HydrophobicContact CD2-CD2 3.77Å; Y41-Y50 HydrophobicContact CD2-CE2 4.09Å; Y41-Y50 HydrophobicContact CD2-CG 4.23Å; Y41-Y50 AromaticContact CE1-CD2 3.66Å; Y41-Y50 HydrophobicContact CE1-CD2 3.66Å; Y41-Y50 HydrophobicContact CE1-CG 4.23Å; Y41-Y50 AromaticContact CE2-CD2 3.38Å; Y41-Y50 HydrophobicContact CE2-CD2 3.38Å; Y41-Y50 AromaticContact CE2-CE2 3.57Å; Y41-Y50 HydrophobicContact CE2-CE2 3.57Å; Y41-Y50 HydrophobicContact CE2-CG 4.28Å; Y41-Y50 HydrophobicContact CG-CD2 4.07Å; Y41-Y50 HydrophobicContact CG-CG 4.2Å; Y41-Y50 AromaticContact CZ-CD2 3.33Å; Y41-Y50 AromaticContact CZ-CE2 3.87Å; Y41-Y70 VanDerWaalsContact O-CE2 3.26Å; Y41-Y70 WeakPolarHBondContact O-CE2 3.36Å; Y41-Y70 PolarHBondContact O-OH 3.2Å; Y41-E112 HydrophobicContact CE2-CG 4.22Å; Y41-L115 HydrophobicContact CD2-CD2 3.65Å; Y41-L115 HydrophobicContact CG-CD2 4.02Å
42A95Very high96.8Very high33 Ų3371.2 Ų71.227%0.27338%0.377SS..  trans-78.26.1-170.100000114.6D40 R108D40-A42 PolarHBondContact O-N 3.32Å; A42-R108 HydrophobicContact CB-CG 3.79Å; A42-R108 VanDerWaalsContact O-CD 3.31Å; A42-R108 WeakPolarHBondContact O-CD 3.48Å; A42-R108 VanDerWaalsContact O-CZ 3.23Å; A42-R108 PolarHBondContact O-NE 3.43Å; A42-R108 PolarHBondContact O-NH1 2.89Å
43T97.4Very high96.9Very high75 Ų7572.2 Ų72.246%0.4638%0.375SS..SBendtrans-123.8154.4177.867.60000110.8Y41 K45 A46 L47Y41-T43 PolarHBondContact O-N 3.24Å; Y41-T43 VanDerWaalsContact O-N 3.14Å; T43-K45 PolarHBondContact O-N 3.41Å; T43-A46 PolarHBondContact O-N 3.03Å; T43-A46 VanDerWaalsContact O-N 3.08Å; T43-A46 WeakPolarHBondContact OG1-CB 3.4Å; T43-A46 PolarHBondContact OG1-N 3.01Å; T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 3.22Å
44D97Very high96.9Very high66 Ų6663.5 Ų63.535%0.35334%0.337SS..Hα-helixtrans-58.2-35.2177.8-68.6-9.8000112.1W48 M69 Y70 R108D44-W48 VanDerWaalsContact O-CB 3.25Å; D44-W48 WeakPolarHBondContact O-CB 3.37Å; D44-W48 PolarHBondContact O-N 3.31Å; D44-M69 HydrophobicContact CB-CB 4.47Å; D44-Y70 WeakPolarHBondContact OD1-CD2 3.42Å; D44-Y70 PolarHBondContact OD1-N 3.4Å; D44-R108 IonicContact OD1-NH2 3.33Å
45K98.1Very high96.9Very high179 Ų17958.7 Ų58.778%0.77832%0.319SS*.Hα-helixtrans-64.7-44.8175.5-176.2-178.7178.6-176.30111.8T43 W48 Q49T43-K45 PolarHBondContact O-N 3.41Å; K45-W48 PolarHBondContact O-N 2.98Å; K45-Q49 PolarHBondContact O-N 2.95Å; K45-Q49 VanDerWaalsContact O-N 3.1Å
46A98.1Very high96.9Very high24 Ų2461.5 Ų61.520%0.19834%0.336CS..Hα-helixtrans-68.6-41.417900000111.3Y41 T43 W48 Q49 Y50Y41-A46 HydrophobicContact CD1-CB 4.14Å; T43-A46 PolarHBondContact O-N 3.03Å; T43-A46 VanDerWaalsContact O-N 3.08Å; T43-A46 WeakPolarHBondContact OG1-CB 3.4Å; T43-A46 PolarHBondContact OG1-N 3.01Å; A46-W48 PolarHBondContact O-N 3.08Å; A46-Q49 PolarHBondContact O-N 3.04Å; A46-Y50 WeakPolarHBondContact O-CB 3.34Å; A46-Y50 PolarHBondContact O-N 2.88Å
47L97.4Very high97.1Very high0 Ų062 Ų620%033%0.329CS..Hα-helixtrans-62.1-41.6174.5-179.864.9000112.1T43 Y50 T51 V68 Y70 V103 L115 V119T43-L47 WeakPolarHBondContact O-CB 3.25Å; T43-L47 PolarHBondContact O-N 3.22Å; L47-Y50 PolarHBondContact O-N 3.2Å; L47-T51 WeakPolarHBondContact O-CB 3.43Å; L47-T51 PolarHBondContact O-N 2.89Å; L47-T51 PolarHBondContact O-OG1 2.9Å; L47-V68 HydrophobicContact CD2-CG1 3.81Å; L47-V68 HydrophobicContact CG-CG1 3.66Å; L47-Y70 HydrophobicContact CB-CD2 4.48Å; L47-Y70 HydrophobicContact CB-CE2 3.84Å; L47-Y70 HydrophobicContact CD2-CD1 4.15Å; L47-Y70 HydrophobicContact CD2-CD2 3.92Å; L47-Y70 HydrophobicContact CD2-CE1 4.03Å; L47-Y70 HydrophobicContact CD2-CE2 3.81Å; L47-Y70 HydrophobicContact CD2-CG 4.1Å; L47-Y70 HydrophobicContact CG-CE2 4.3Å; L47-V103 HydrophobicContact CD1-CG2 4.41Å; L47-V103 HydrophobicContact CD2-CB 4.09Å; L47-V103 HydrophobicContact CD2-CG2 4.03Å; L47-L115 HydrophobicContact CD1-CD1 3.74Å; L47-L115 HydrophobicContact CD1-CD2 4.43Å; L47-V119 HydrophobicContact CD1-CG2 4.2Å
48W97.8Very high97.3Very high83 Ų8361.7 Ų61.731%0.31431%0.311SS..Hα-helixtrans-57-51.3173.5170.5-87000111.5D44 K45 A46 T51 Q52 I65 V68D44-W48 VanDerWaalsContact O-CB 3.25Å; D44-W48 WeakPolarHBondContact O-CB 3.37Å; D44-W48 PolarHBondContact O-N 3.31Å; K45-W48 PolarHBondContact O-N 2.98Å; A46-W48 PolarHBondContact O-N 3.08Å; W48-T51 PolarHBondContact O-N 2.96Å; W48-Q52 HydrophobicContact CD2-CG 4.28Å; W48-Q52 HydrophobicContact CZ2-CG 4.12Å; W48-Q52 WeakPolarHBondContact O-CB 3.44Å; W48-Q52 VanDerWaalsContact O-CG 3.29Å; W48-Q52 WeakPolarHBondContact O-CG 3.32Å; W48-Q52 PolarHBondContact O-N 3.43Å; W48-I65 WeakPolarHBondContact CH2-O 3.43Å; W48-I65 HydrophobicContact CZ3-CG2 4.2Å; W48-V68 HydrophobicContact CB-CB 4.36Å; W48-V68 HydrophobicContact CD2-CG2 4.42Å; W48-V68 HydrophobicContact CE3-CB 3.77Å; W48-V68 HydrophobicContact CE3-CG2 3.54Å; W48-V68 HydrophobicContact CZ3-CB 4.5Å; W48-V68 HydrophobicContact CZ3-CG2 3.94Å
49Q98.2Very high97.3Very high101 Ų10157.8 Ų57.847%0.47229%0.287SS..Hα-helixtrans-60.3-49.6-179.8-173.559.950.200110.9K45 A46 T51 Q52 D53K45-Q49 PolarHBondContact O-N 2.95Å; K45-Q49 VanDerWaalsContact O-N 3.1Å; A46-Q49 PolarHBondContact O-N 3.04Å; Q49-T51 VanDerWaalsContact C-N 3.31Å; Q49-T51 PolarHBondContact O-N 3.49Å; Q49-Q52 PolarHBondContact O-N 3.2Å; Q49-Q52 VanDerWaalsContact O-N 3.14Å; Q49-D53 PolarHBondContact NE2-OD1 3.18Å; Q49-D53 PolarHBondContact NE2-OD2 3.37Å; Q49-D53 VanDerWaalsContact O-CG 3.23Å; Q49-D53 PolarHBondContact O-N 3.38Å
50Y98.4Very high97Very high11 Ų1166.8 Ų66.84%0.04332%0.321CS..Hα-helixtrans-55-45.4177.8-178.6-95.2000112.8Y41 A46 L47 D53 L54 E112 L115 R116 V119Y41-Y50 HydrophobicContact CD1-CD2 4.02Å; Y41-Y50 HydrophobicContact CD1-CG 4.19Å; Y41-Y50 AromaticContact CD2-CD2 3.77Å; Y41-Y50 HydrophobicContact CD2-CD2 3.77Å; Y41-Y50 HydrophobicContact CD2-CE2 4.09Å; Y41-Y50 HydrophobicContact CD2-CG 4.23Å; Y41-Y50 AromaticContact CE1-CD2 3.66Å; Y41-Y50 HydrophobicContact CE1-CD2 3.66Å; Y41-Y50 HydrophobicContact CE1-CG 4.23Å; Y41-Y50 AromaticContact CE2-CD2 3.38Å; Y41-Y50 HydrophobicContact CE2-CD2 3.38Å; Y41-Y50 AromaticContact CE2-CE2 3.57Å; Y41-Y50 HydrophobicContact CE2-CE2 3.57Å; Y41-Y50 HydrophobicContact CE2-CG 4.28Å; Y41-Y50 HydrophobicContact CG-CD2 4.07Å; Y41-Y50 HydrophobicContact CG-CG 4.2Å; Y41-Y50 AromaticContact CZ-CD2 3.33Å; Y41-Y50 AromaticContact CZ-CE2 3.87Å; A46-Y50 WeakPolarHBondContact O-CB 3.34Å; A46-Y50 PolarHBondContact O-N 2.88Å; L47-Y50 PolarHBondContact O-N 3.2Å; Y50-D53 PolarHBondContact O-N 3.07Å; Y50-L54 HydrophobicContact CD1-CD1 4.08Å; Y50-L54 HydrophobicContact CE1-CD1 3.49Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.49Å; Y50-L54 PolarHBondContact O-N 2.88Å; Y50-E112 HydrophobicContact CE2-CG 4.5Å; Y50-E112 WeakPolarHBondContact CE2-OE1 3.29Å; Y50-E112 PolarHBondContact OH-OE1 3.42Å; Y50-L115 HydrophobicContact CD1-CD2 4.04Å; Y50-L115 HydrophobicContact CD1-CG 4.4Å; Y50-L115 HydrophobicContact CE1-CD2 3.98Å; Y50-L115 HydrophobicContact CE1-CG 4.03Å; Y50-L115 HydrophobicContact CG-CD2 4.44Å; Y50-R116 WeakPolarHBondContact OH-CA 3.41Å; Y50-R116 WeakPolarHBondContact OH-CB 3.21Å; Y50-R116 WeakPolarHBondContact OH-CG 3.43Å; Y50-R116 PolarHBondContact OH-NH1 3.16Å; Y50-V119 HydrophobicContact CD1-CB 4.47Å; Y50-V119 HydrophobicContact CD1-CG1 4.37Å; Y50-V119 HydrophobicContact CD1-CG2 4.06Å; Y50-V119 HydrophobicContact CE1-CB 4.11Å; Y50-V119 HydrophobicContact CE1-CG1 4.31Å; Y50-V119 HydrophobicContact CE1-CG2 3.98Å
51T97Very high96.7Very high0 Ų067.6 Ų67.60%033%0.325CS..Hα-helixtrans-66.1-41.6178.4-58.50000112L47 W48 Q49 K55 I65 V68 I101 V119 L123L47-T51 WeakPolarHBondContact O-CB 3.43Å; L47-T51 PolarHBondContact O-N 2.89Å; L47-T51 PolarHBondContact O-OG1 2.9Å; W48-T51 PolarHBondContact O-N 2.96Å; Q49-T51 VanDerWaalsContact C-N 3.31Å; Q49-T51 PolarHBondContact O-N 3.49Å; T51-K55 WeakPolarHBondContact O-CB 3.32Å; T51-K55 PolarHBondContact O-N 2.84Å; T51-I65 HydrophobicContact CG2-CD1 3.83Å; T51-V68 HydrophobicContact CG2-CG1 4.45Å; T51-V68 HydrophobicContact CG2-CG2 3.91Å; T51-I101 HydrophobicContact CG2-CD1 3.89Å; T51-V119 HydrophobicContact CG2-CG1 3.98Å; T51-L123 HydrophobicContact CG2-CD2 4.07Å; T51-L123 HydrophobicContact CG2-CG 4.48Å
52Q97.1Very high96.3Very high38 Ų3864.2 Ų64.218%0.17831%0.314CS..Hα-helixtrans-67.2-37.3178.6-74.3-74.49700111.9W48 Q49 K55 N56W48-Q52 HydrophobicContact CD2-CG 4.28Å; W48-Q52 HydrophobicContact CZ2-CG 4.12Å; W48-Q52 WeakPolarHBondContact O-CB 3.44Å; W48-Q52 VanDerWaalsContact O-CG 3.29Å; W48-Q52 WeakPolarHBondContact O-CG 3.32Å; W48-Q52 PolarHBondContact O-N 3.43Å; Q49-Q52 PolarHBondContact O-N 3.2Å; Q49-Q52 VanDerWaalsContact O-N 3.14Å; Q52-K55 PolarHBondContact O-N 3.39Å; Q52-N56 VanDerWaalsContact O-CB 3.29Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 3.05Å; Q52-N56 PolarHBondContact O-ND2 3.14Å; Q52-N56 VanDerWaalsContact O-ND2 3.15Å
53D97.9Very high96Very high81 Ų8165.5 Ų65.543%0.43332%0.319SS..Hα-helixtrans-63.5-47.8176.9-66.9-23.9000111Q49 Y50 K55 N56 Q57Q49-D53 PolarHBondContact NE2-OD1 3.18Å; Q49-D53 PolarHBondContact NE2-OD2 3.37Å; Q49-D53 VanDerWaalsContact O-CG 3.23Å; Q49-D53 PolarHBondContact O-N 3.38Å; Y50-D53 PolarHBondContact O-N 3.07Å; D53-K55 PolarHBondContact O-N 2.84Å; D53-N56 PolarHBondContact O-N 3.08Å; D53-Q57 WeakPolarHBondContact O-CB 3.49Å; D53-Q57 PolarHBondContact O-N 3.09Å
54L98.1Very high95.7Very high5 Ų566.2 Ų66.23%0.02633%0.325CS..Hα-helixtrans-60-46.5173.7-75.6173.9000112.2Y50 N56 Q57 F58 V119 L123Y50-L54 HydrophobicContact CD1-CD1 4.08Å; Y50-L54 HydrophobicContact CE1-CD1 3.49Å; Y50-L54 VanDerWaalsContact CE1-CD1 3.49Å; Y50-L54 PolarHBondContact O-N 2.88Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 3.31Å; L54-Q57 PolarHBondContact O-N 3.33Å; L54-F58 HydrophobicContact CD2-CD2 4.46Å; L54-F58 HydrophobicContact CD2-CE2 4.04Å; L54-F58 WeakPolarHBondContact O-CD2 3.37Å; L54-F58 PolarHBondContact O-N 3.45Å; L54-F58 VanDerWaalsContact O-N 3.1Å; L54-V119 HydrophobicContact CD1-CB 4.14Å; L54-V119 HydrophobicContact CD1-CG1 3.6Å; L54-L123 HydrophobicContact CB-CD1 3.6Å
55K97.2Very high95.4Very high18 Ų1863.5 Ų63.58%0.07831%0.31CS..Hα-helixtrans-58.9-44.9176.8-170.7-151175.3-137.70111.4T51 Q52 D53 Q57 F58 L59 A62 P63 I65 L123T51-K55 WeakPolarHBondContact O-CB 3.32Å; T51-K55 PolarHBondContact O-N 2.84Å; Q52-K55 PolarHBondContact O-N 3.39Å; D53-K55 PolarHBondContact O-N 2.84Å; K55-Q57 VanDerWaalsContact C-N 3.31Å; K55-Q57 PolarHBondContact O-N 2.89Å; K55-F58 PolarHBondContact O-N 3.1Å; K55-L59 HydrophobicContact CG-CB 4.07Å; K55-L59 CarbonylContact O-C 3.21Å; K55-L59 WeakPolarHBondContact O-CA 3.44Å; K55-L59 WeakPolarHBondContact O-CB 3.46Å; K55-L59 PolarHBondContact O-N 3.08Å; K55-A62 PolarHBondContact NZ-O 3.14Å; K55-P63 VanDerWaalsContact CE-O 3.24Å; K55-P63 WeakPolarHBondContact CE-O 3.2Å; K55-P63 PolarHBondContact NZ-O 3.18Å; K55-I65 HydrophobicContact CB-CD1 4.34Å; K55-I65 HydrophobicContact CD-CD1 3.8Å; K55-I65 HydrophobicContact CD-CG1 4.15Å; K55-I65 HydrophobicContact CG-CD1 4.22Å; K55-L123 HydrophobicContact CB-CD1 4.47Å; K55-L123 HydrophobicContact CB-CD2 3.81Å; K55-L123 HydrophobicContact CG-CD2 4.07Å
56N96.9Very high95.2Very high81 Ų8158.7 Ų58.743%0.43329%0.293SS..Hα-helixtrans-69.6-30.8-178.1-71.5-23.9000112.4Q52 D53 L54 R60Q52-N56 VanDerWaalsContact O-CB 3.29Å; Q52-N56 WeakPolarHBondContact O-CB 3.48Å; Q52-N56 PolarHBondContact O-N 3.05Å; Q52-N56 PolarHBondContact O-ND2 3.14Å; Q52-N56 VanDerWaalsContact O-ND2 3.15Å; D53-N56 PolarHBondContact O-N 3.08Å; L54-N56 VanDerWaalsContact C-N 3.34Å; L54-N56 PolarHBondContact O-N 3.31Å; N56-R60 WeakPolarHBondContact O-CG 3.19Å; N56-R60 PolarHBondContact O-NE 3.41Å
57Q97.7Very high95Very high117 Ų11761.7 Ų61.755%0.54730%0.302SS..Hα-helixtrans-68.3-46.2175.6-176.3173.2-900111.9D53 L54 K55D53-Q57 WeakPolarHBondContact O-CB 3.49Å; D53-Q57 PolarHBondContact O-N 3.09Å; L54-Q57 PolarHBondContact O-N 3.33Å; K55-Q57 VanDerWaalsContact C-N 3.31Å; K55-Q57 PolarHBondContact O-N 2.89Å
58F97.8Very high94.8Very high51 Ų5162 Ų6222%0.22430%0.304CS..Hα-helixtrans-112.8-24-168.3-60.9-76.2000115.5L54 K55 M142L54-F58 HydrophobicContact CD2-CD2 4.46Å; L54-F58 HydrophobicContact CD2-CE2 4.04Å; L54-F58 WeakPolarHBondContact O-CD2 3.37Å; L54-F58 PolarHBondContact O-N 3.45Å; L54-F58 VanDerWaalsContact O-N 3.1Å; K55-F58 PolarHBondContact O-N 3.1Å; F58-M142 HydrophobicContact CB-CG 3.57Å; F58-M142 HydrophobicContact CB-SD 3.99Å; F58-M142 HydrophobicContact CD1-CB 4.48Å; F58-M142 HydrophobicContact CD1-CG 4.2Å; F58-M142 HydrophobicContact CD2-CB 4.06Å; F58-M142 HydrophobicContact CD2-CG 3.99Å; F58-M142 HydrophobicContact CE2-CB 4.38Å; F58-M142 HydrophobicContact CG-CB 4.12Å; F58-M142 HydrophobicContact CG-CG 3.68Å; F58-M142 WeakPolarHBondContact CZ-O 3.44Å
59L95.5Very high94.6Very high7 Ų759.8 Ų59.84%0.03730%0.297CS..  trans-128.644.1-167-61.4-175.5000112.8K55 N61 A62 L123 L126 K127 L138 M142K55-L59 HydrophobicContact CG-CB 4.07Å; K55-L59 CarbonylContact O-C 3.21Å; K55-L59 WeakPolarHBondContact O-CA 3.44Å; K55-L59 WeakPolarHBondContact O-CB 3.46Å; K55-L59 PolarHBondContact O-N 3.08Å; L59-N61 PolarHBondContact O-N 3.39Å; L59-A62 HydrophobicContact CB-CB 3.76Å; L59-A62 HydrophobicContact CD1-CB 4.44Å; L59-A62 WeakPolarHBondContact O-CB 3.29Å; L59-A62 PolarHBondContact O-N 2.86Å; L59-L123 HydrophobicContact CD1-CB 3.78Å; L59-L123 HydrophobicContact CD1-CD2 4.41Å; L59-L123 WeakPolarHBondContact CD1-O 3.44Å; L59-L126 HydrophobicContact CD1-CD1 4.43Å; L59-K127 HydrophobicContact CD2-CD 3.94Å; L59-L138 HydrophobicContact CD2-CD1 3.95Å; L59-L138 HydrophobicContact CD2-CD2 4.41Å; L59-M142 HydrophobicContact CD1-CE 4.39Å; L59-M142 HydrophobicContact CD1-SD 3.86Å; L59-M142 HydrophobicContact CD2-SD 4.23Å; L59-M142 HydrophobicContact CG-SD 3.87Å
60R90.3Very high94.4Very high200 Ų20055.3 Ų55.376%0.75528%0.276SS*.THydrogen-bonded Turntrans-50.2-36.6-175.8-68.5-176.2-178.4173.30.7114.6N56N56-R60 WeakPolarHBondContact O-CG 3.19Å; N56-R60 PolarHBondContact O-NE 3.41Å
61N90.1Very high94Very high168 Ų16855.4 Ų55.490%0.89828%0.277SS*.THydrogen-bonded Turntrans-97.46.2-178.7-62.2-26.2000114L59L59-N61 PolarHBondContact O-N 3.39Å
62A90.4Very high93.4Very high11 Ų1161.3 Ų61.39%0.09131%0.309CS..SBendtrans-74.4154.817800000111.7K55 L59 L126 K127K55-A62 PolarHBondContact NZ-O 3.14Å; L59-A62 HydrophobicContact CB-CB 3.76Å; L59-A62 HydrophobicContact CD1-CB 4.44Å; L59-A62 WeakPolarHBondContact O-CB 3.29Å; L59-A62 PolarHBondContact O-N 2.86Å; A62-L126 HydrophobicContact CB-CB 4.31Å; A62-L126 HydrophobicContact CB-CD1 4.24Å; A62-K127 HydrophobicContact CB-CG 4.48Å
63P88.1Confident92.6Very high60 Ų6067.6 Ų67.639%0.3934%0.336SS..PPolyproline II helixtrans-47.5144.7175.9-29.135.4000113K55 I65 V99K55-P63 VanDerWaalsContact CE-O 3.24Å; K55-P63 WeakPolarHBondContact CE-O 3.2Å; K55-P63 PolarHBondContact NZ-O 3.18Å; P63-I65 PolarHBondContact O-N 3.32Å; P63-V99 HydrophobicContact CB-CG2 4.24Å
64P89.7Confident91.6Very high89 Ų8964.6 Ų64.658%0.57832%0.32SS*.PPolyproline II helixtrans-64.5136.9177.827.8-34000110.4
65I92.2Very high90.3Very high9 Ų971 Ų715%0.04635%0.349CS..EExtended strand (participates in β ladder)trans-81.4129.7170.6-57167.5000107.1W48 T51 K55 P63 K67 V68 V99 I101 L123 L126W48-I65 WeakPolarHBondContact CH2-O 3.43Å; W48-I65 HydrophobicContact CZ3-CG2 4.2Å; T51-I65 HydrophobicContact CG2-CD1 3.83Å; K55-I65 HydrophobicContact CB-CD1 4.34Å; K55-I65 HydrophobicContact CD-CD1 3.8Å; K55-I65 HydrophobicContact CD-CG1 4.15Å; K55-I65 HydrophobicContact CG-CD1 4.22Å; P63-I65 PolarHBondContact O-N 3.32Å; I65-K67 WeakPolarHBondContact CG2-O 3.42Å; I65-V68 HydrophobicContact CG2-CG2 3.53Å; I65-V99 HydrophobicContact CB-CG1 4.44Å; I65-V99 HydrophobicContact CG1-CG1 4.13Å; I65-V99 HydrophobicContact CG2-CG1 4.4Å; I65-I101 HydrophobicContact CD1-CD1 3.8Å; I65-I101 HydrophobicContact CG1-CD1 4.32Å; I65-I101 HydrophobicContact CG2-CD1 4.4Å; I65-I101 HydrophobicContact CG2-CG1 4.43Å; I65-L123 HydrophobicContact CD1-CD2 3.63Å; I65-L126 HydrophobicContact CD1-CD1 4.14Å; I65-L126 HydrophobicContact CG1-CD1 4Å
66N93.1Very high89Confident78 Ų7871.2 Ų71.242%0.41735%0.352SS..EExtended strand (participates in β ladder)trans-97.5-28-178.4-61.5108.2000112.7K98 V99N66-K98 HydrophobicContact CB-CB 4.25Å; N66-K98 HydrophobicContact CB-CG 4.46Å; N66-K98 WeakPolarHBondContact OD1-CA 3.43Å; N66-V99 WeakPolarHBondContact CB-O 3.47Å; N66-V99 PolarHBondContact N-O 2.84Å; N66-V99 PolarHBondContact OD1-N 3.46Å
67K93.6Very high87.5Confident88 Ų8871.9 Ų71.938%0.38336%0.355SS..EExtended strand (participates in β ladder)trans-150141.3178.5-158.6177.8-173.5-171.80110.8I65 M69 V99 E100 I101I65-K67 WeakPolarHBondContact CG2-O 3.42Å; K67-M69 HydrophobicContact CD-SD 4.04Å; K67-M69 WeakPolarHBondContact CE-SD 3.46Å; K67-M69 PolarHBondContact NZ-SD 2.8Å; K67-V99 PolarHBondContact N-O 3.21Å; K67-E100 HydrophobicContact CB-CB 4.22Å; K67-E100 HydrophobicContact CB-CG 3.86Å; K67-E100 CarbonylContact O-C 3.42Å; K67-E100 WeakPolarHBondContact O-CA 3.44Å; K67-I101 PolarHBondContact O-N 3.21Å
68V94.4Very high85.7Confident7 Ų771.1 Ų71.14%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-134.1129.7167.3-171.60000106.9L47 W48 T51 I65 I101L47-V68 HydrophobicContact CD2-CG1 3.81Å; L47-V68 HydrophobicContact CG-CG1 3.66Å; W48-V68 HydrophobicContact CB-CB 4.36Å; W48-V68 HydrophobicContact CD2-CG2 4.42Å; W48-V68 HydrophobicContact CE3-CB 3.77Å; W48-V68 HydrophobicContact CE3-CG2 3.54Å; W48-V68 HydrophobicContact CZ3-CB 4.5Å; W48-V68 HydrophobicContact CZ3-CG2 3.94Å; T51-V68 HydrophobicContact CG2-CG1 4.45Å; T51-V68 HydrophobicContact CG2-CG2 3.91Å; I65-V68 HydrophobicContact CG2-CG2 3.53Å; V68-I101 VanDerWaalsContact CA-O 3.31Å; V68-I101 WeakPolarHBondContact CA-O 3.44Å; V68-I101 HydrophobicContact CG1-CB 4.3Å; V68-I101 HydrophobicContact CG1-CG2 4.27Å; V68-I101 HydrophobicContact CG2-CB 4.28Å
69M94.1Very high83.9Confident35 Ų3574.6 Ų74.617%0.17237%0.371CS..EExtended strand (participates in β ladder)trans-155.4157.317962.1-178.3-68.100112.2D44 K67 I101 R102 V103D44-M69 HydrophobicContact CB-CB 4.47Å; K67-M69 HydrophobicContact CD-SD 4.04Å; K67-M69 WeakPolarHBondContact CE-SD 3.46Å; K67-M69 PolarHBondContact NZ-SD 2.8Å; M69-I101 PolarHBondContact N-O 3.36Å; M69-R102 HydrophobicContact CG-CG 4.35Å; M69-R102 WeakPolarHBondContact O-CA 3.5Å; M69-V103 PolarHBondContact O-N 3.18Å
70Y93.2Very high82.4Confident8 Ų875.9 Ų75.93%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-75.3137.7161.1-68.4-74.7000110H39 Y41 D44 L47 V103 F107 R108H39-Y70 PolarHBondContact CE1-OH 3.23Å; Y41-Y70 VanDerWaalsContact O-CE2 3.26Å; Y41-Y70 WeakPolarHBondContact O-CE2 3.36Å; Y41-Y70 PolarHBondContact O-OH 3.2Å; D44-Y70 WeakPolarHBondContact OD1-CD2 3.42Å; D44-Y70 PolarHBondContact OD1-N 3.4Å; L47-Y70 HydrophobicContact CB-CD2 4.48Å; L47-Y70 HydrophobicContact CB-CE2 3.84Å; L47-Y70 HydrophobicContact CD2-CD1 4.15Å; L47-Y70 HydrophobicContact CD2-CD2 3.92Å; L47-Y70 HydrophobicContact CD2-CE1 4.03Å; L47-Y70 HydrophobicContact CD2-CE2 3.81Å; L47-Y70 HydrophobicContact CD2-CG 4.1Å; L47-Y70 HydrophobicContact CG-CE2 4.3Å; Y70-V103 CarbonylContact C-O 3.5Å; Y70-V103 VanDerWaalsContact CA-O 3.24Å; Y70-V103 WeakPolarHBondContact CA-O 3.4Å; Y70-V103 HydrophobicContact CD1-CB 4.12Å; Y70-V103 HydrophobicContact CD1-CG1 4.07Å; Y70-V103 HydrophobicContact CE1-CB 4.31Å; Y70-V103 HydrophobicContact CE1-CG1 3.94Å; Y70-F107 HydrophobicContact CE1-CB 4.48Å; Y70-R108 HydrophobicContact CD1-CB 4.34Å; Y70-R108 HydrophobicContact CE1-CB 4.11Å; Y70-R108 HydrophobicContact CE2-CG 4.43Å
71D89.6Confident81.4Confident12 Ų1266.4 Ų66.46%0.06435%0.346CS..EExtended strand (participates in β ladder)trans-124.1127.9179.5-162.4-26.6000109.8K73 I74 R102 V103 T105D71-K73 VanDerWaalsContact OD1-CB 3.32Å; D71-K73 WeakPolarHBondContact OD1-CB 3.12Å; D71-K73 PolarHBondContact OD1-N 3.05Å; D71-I74 HydrophobicContact CB-CB 4.4Å; D71-I74 HydrophobicContact CB-CD1 3.78Å; D71-I74 HydrophobicContact CB-CG1 3.8Å; D71-R102 HydrophobicContact CB-CB 4.22Å; D71-R102 WeakPolarHBondContact OD2-CD 3.36Å; D71-R102 IonicContact OD2-CZ 3.88Å; D71-R102 IonicContact OD2-NE 3.62Å; D71-R102 IonicContact OD2-NH1 3.63Å; D71-R102 PolarHBondContact OD2-NH1 2.99Å; D71-V103 PolarHBondContact N-O 3.18Å; D71-T105 VanDerWaalsContact C-OG1 3.28Å; D71-T105 PolarHBondContact O-N 3.44Å; D71-T105 VanDerWaalsContact O-N 3.1Å; D71-T105 PolarHBondContact O-OG1 3.48Å; D71-T105 VanDerWaalsContact O-OG1 3.12Å
72N85.1Confident79.8Confident125 Ų12559 Ų5967%0.66831%0.31SS*.SBendtrans-88.2-9.9177.767.2-23000112.8T105N72-T105 WeakPolarHBondContact CA-OG1 3.39Å; N72-T105 PolarHBondContact N-OG1 2.76Å
73K80.7Confident78Confident170 Ų17061.5 Ų61.574%0.73932%0.321SS*.SBendtrans-88.2-13.1175.9-56.1-177.5-179.6-176.30112.4D71 H75D71-K73 VanDerWaalsContact OD1-CB 3.32Å; D71-K73 WeakPolarHBondContact OD1-CB 3.12Å; D71-K73 PolarHBondContact OD1-N 3.05Å; K73-H75 PolarHBondContact O-N 2.71Å
74I76.1Confident76.4Confident18 Ų1861.8 Ų61.89%0.09232%0.317CS..  trans-80.4112174.6-64.4-175.8000108.5D71 L83 R102 A104D71-I74 HydrophobicContact CB-CB 4.4Å; D71-I74 HydrophobicContact CB-CD1 3.78Å; D71-I74 HydrophobicContact CB-CG1 3.8Å; I74-L83 HydrophobicContact CB-CD1 4.18Å; I74-L83 HydrophobicContact CD1-CB 4.12Å; I74-L83 HydrophobicContact CD1-CD1 4.43Å; I74-L83 HydrophobicContact CG1-CD1 3.96Å; I74-L83 HydrophobicContact CG2-CB 4.31Å; I74-L83 HydrophobicContact CG2-CD1 3.68Å; I74-L83 HydrophobicContact CG2-CG 4.02Å; I74-R102 HydrophobicContact CD1-CB 3.27Å; I74-R102 HydrophobicContact CD1-CG 4.38Å; I74-A104 HydrophobicContact CB-CB 4.34Å; I74-A104 HydrophobicContact CG2-CB 3.88Å
75H70.6Confident74.5Confident140 Ų14060.5 Ų60.565%0.64831%0.308SS*.PPolyproline II helixtrans-89.7126.3163.7-63.9-72.9000108.4K73 L77K73-H75 PolarHBondContact O-N 2.71Å; H75-L77 PolarHBondContact O-N 3.12Å
76V69.5Low72.5Confident21 Ų2164 Ų6413%0.12734%0.338CS..PPolyproline II helixtrans-63.2118.8169.4-176.90000107.3Y6 A80 L81 A104 V106 F107 L157Y6-V76 HydrophobicContact CD1-CG1 4.36Å; Y6-V76 HydrophobicContact CE1-CB 4.37Å; Y6-V76 HydrophobicContact CE1-CG1 4.01Å; V76-A80 WeakPolarHBondContact CG1-O 3.49Å; V76-L81 HydrophobicContact CG1-CD2 4.31Å; V76-A104 HydrophobicContact CG2-CB 3.77Å; V76-V106 HydrophobicContact CG2-CG1 4.2Å; V76-F107 HydrophobicContact CG2-CE2 4.2Å; V76-L157 HydrophobicContact CG1-CD1 3.73Å; V76-L157 HydrophobicContact CG2-CD2 4.42Å
77L65.7Low70.4Confident95 Ų9562.2 Ų62.250%0.49733%0.33SS..BIsolated β-bridgetrans-91.2159.8-176.5-62.5178.8000110.2H75 N79 A80H75-L77 PolarHBondContact O-N 3.12Å; L77-N79 PolarHBondContact O-N 3.38Å; L77-A80 HydrophobicContact CB-CB 4.36Å; L77-A80 PolarHBondContact N-O 3.1Å; L77-A80 VanDerWaalsContact N-O 3.14Å; L77-A80 CarbonylContact O-C 3.59Å; L77-A80 PolarHBondContact O-N 3.48Å; L77-A80 VanDerWaalsContact O-O 3.06Å
78K60.1Low68Low102 Ų10262 Ų6244%0.44334%0.34SS..THydrogen-bonded Turntrans-45.7-41.6-178.4-47.9-162.9171.6176.40113.3T5T5-K78 HydrophobicContact CG2-CB 4.07Å; T5-K78 HydrophobicContact CG2-CD 3.69Å; T5-K78 HydrophobicContact CG2-CG 3.45Å; T5-K78 VanDerWaalsContact CG2-CG 3.45Å; T5-K78 WeakPolarHBondContact O-CB 3.47Å
79N59.7Low66Low124 Ų12470.1 Ų70.166%0.66337%0.369SS*.THydrogen-bonded Turntrans-102.6-12.1-175.9-61.7-21.8000113.9L77L77-N79 PolarHBondContact O-N 3.38Å
80A63.5Low63.7Low33 Ų3373.5 Ų73.527%0.27339%0.392SS..BIsolated β-bridgetrans-128.3113.6-169.900000110.9V76 L77 G82V76-A80 WeakPolarHBondContact CG1-O 3.49Å; L77-A80 HydrophobicContact CB-CB 4.36Å; L77-A80 PolarHBondContact N-O 3.1Å; L77-A80 VanDerWaalsContact N-O 3.14Å; L77-A80 CarbonylContact O-C 3.59Å; L77-A80 PolarHBondContact O-N 3.48Å; L77-A80 VanDerWaalsContact O-O 3.06Å; A80-G82 VanDerWaalsContact C-N 3.34Å
81L69.6Low61.7Low2 Ų278.5 Ų78.51%0.0142%0.415CS..SBendtrans-74.2-26.2176.7-72.4172.5000112.8V76 M117 I118 E150 T153 R154 L157V76-L81 HydrophobicContact CG1-CD2 4.31Å; L81-M117 HydrophobicContact CD1-CE 3.8Å; L81-M117 HydrophobicContact CD1-SD 4.2Å; L81-I118 VanDerWaalsContact C-CD1 3.42Å; L81-I118 HydrophobicContact CB-CD1 3.98Å; L81-I118 WeakPolarHBondContact O-CD1 3.24Å; L81-E150 HydrophobicContact CD1-CG 3.34Å; L81-T153 HydrophobicContact CD2-CG2 4.28Å; L81-R154 HydrophobicContact CD1-CG 3.97Å; L81-R154 HydrophobicContact CD2-CG 3.74Å; L81-R154 HydrophobicContact CG-CG 4.2Å; L81-L157 HydrophobicContact CD2-CD1 3.36Å
82G57Low60.4Low13 Ų1381.9 Ų81.913%0.13445%0.453CS..SBendtrans-136.1160.1177.600000111.5A80A80-G82 VanDerWaalsContact C-N 3.34Å
83L53.3Low59.4Low62 Ų6279.4 Ų79.433%0.32546%0.457SS..  trans-115.4104.9172.8-74.8177.1000109.4I74 T85I74-L83 HydrophobicContact CB-CD1 4.18Å; I74-L83 HydrophobicContact CD1-CB 4.12Å; I74-L83 HydrophobicContact CD1-CD1 4.43Å; I74-L83 HydrophobicContact CG1-CD1 3.96Å; I74-L83 HydrophobicContact CG2-CB 4.31Å; I74-L83 HydrophobicContact CG2-CD1 3.68Å; I74-L83 HydrophobicContact CG2-CG 4.02Å; L83-T85 PolarHBondContact O-N 2.83Å
84H54.4Low58.3Low67 Ų6778.8 Ų78.831%0.3145%0.454SS..  trans-69.9110.8162.6-81.9-71.5000109.9H121 E122 H125H84-H121 AromaticContact NE2-CD2 3.94Å; H84-E122 IonicContact CD2-OE1 3.89Å; H84-E122 PolarHBondContact CD2-OE1 3.14Å; H84-E122 IonicContact CD2-OE2 3.93Å; H84-E122 WeakPolarHBondContact CE1-CA 3.31Å; H84-E122 PolarHBondContact CE1-O 2.98Å; H84-E122 IonicContact CE1-OE1 3.54Å; H84-E122 IonicContact CE1-OE2 2.71Å; H84-E122 PolarHBondContact CE1-OE2 3.24Å; H84-E122 IonicContact CG-OE2 3.56Å; H84-E122 IonicContact ND1-OE2 4Å; H84-E122 VanDerWaalsContact NE2-CA 3.28Å; H84-E122 WeakPolarHBondContact NE2-CA 3.25Å; H84-E122 IonicContact NE2-OE1 2.77Å; H84-E122 PolarHBondContact NE2-OE1 3.11Å; H84-E122 IonicContact NE2-OE2 3.73Å; H84-E122 PolarHBondContact NE2-OE2 3.12Å; H84-H125 AromaticContact CD2-CD2 2.87Å; H84-H125 PolarHBondContact CD2-CD2 3.49Å; H84-H125 AromaticContact CD2-CG 3.33Å; H84-H125 AromaticContact CD2-NE2 3.48Å; H84-H125 PolarHBondContact CD2-NE2 3.23Å; H84-H125 WeakPolarHBondContact CE1-CB 3.41Å; H84-H125 AromaticContact CE1-CD2 3.74Å; H84-H125 AromaticContact CE1-CG 3.81Å; H84-H125 AromaticContact CG-CD2 3.59Å; H84-H125 AromaticContact CG-CG 3.54Å; H84-H125 VanDerWaalsContact ND1-CB 3.29Å; H84-H125 WeakPolarHBondContact ND1-CB 3.14Å; H84-H125 AromaticContact ND1-CG 3.84Å; H84-H125 AromaticContact NE2-CD2 2.98Å; H84-H125 PolarHBondContact NE2-CD2 3.16Å; H84-H125 AromaticContact NE2-CG 3.5Å; H84-H125 AromaticContact NE2-NE2 3.97Å
85T49Very low57.4Low62 Ų6284 Ų8438%0.3848%0.481SS..EExtended strand (participates in β ladder)trans-108.596.4166-36.20000108.9L83 V87L83-T85 PolarHBondContact O-N 2.83Å; T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 HydrophobicContact CG2-CG2 3.77Å; T85-V87 PolarHBondContact O-N 2.8Å
86A50.3Low57Low82 Ų8283.2 Ų83.268%0.67848%0.476SS*.EExtended strand (participates in β ladder)trans-69.792.2164.300000108.5S88A86-S88 PolarHBondContact O-N 3.48Å
87V49.4Very low56.9Low40 Ų4086.1 Ų86.124%0.24250%0.502CS..EExtended strand (participates in β ladder)trans-81.3107.5177.3-174.70000108.9T85 R89 K98T85-V87 VanDerWaalsContact C-N 3.31Å; T85-V87 HydrophobicContact CG2-CG2 3.77Å; T85-V87 PolarHBondContact O-N 2.8Å; V87-R89 HydrophobicContact CG1-CG 4.33Å; V87-K98 PolarHBondContact O-N 2.65Å
88S42.6Very low57.6Low84 Ų8485.4 Ų85.459%0.58750%0.495SS*.EExtended strand (participates in β ladder)trans-80.5125.5167.4-66.60000109.6A86A86-S88 PolarHBondContact O-N 3.48Å
89R52.2Low58.9Low178 Ų17882 Ų8267%0.67248%0.483SS*.EExtended strand (participates in β ladder)trans-124.6142.4166.9-83.2-168.2-177.7-147.82111V87 K96V87-R89 HydrophobicContact CG1-CG 4.33Å; R89-K96 PolarHBondContact O-N 3.19Å; R89-K96 VanDerWaalsContact O-N 3.16Å
90V47.1Very low60.4Low105 Ų10577.7 Ų77.764%0.63646%0.459SS*.EExtended strand (participates in β ladder)trans-79.3121.3170.1-175.50000108.1L95V90-L95 HydrophobicContact CG2-CD2 3.95Å; V90-L95 HydrophobicContact CG2-CG 4.15Å
91Q50.5Low61.7Low114 Ų11476.2 Ų76.253%0.53345%0.446SS..EExtended strand (participates in β ladder)trans-126.9117.3171.8-169.2178.56.700109.3G93 K94Q91-G93 PolarHBondContact O-N 3.44Å; Q91-K94 PolarHBondContact N-O 2.98Å; Q91-K94 PolarHBondContact O-N 2.76Å; Q91-K94 VanDerWaalsContact O-O 3.05Å
92G62.3Low62.7Low83 Ų8378.7 Ų78.786%0.85646%0.455SS*.THydrogen-bonded Turntrans6238.8178.100000114K94G92-K94 PolarHBondContact O-N 3.33Å
93G63.5Low64.3Low72 Ų7278.1 Ų78.174%0.74245%0.449SS*.THydrogen-bonded Turntrans76.5-5.7-178.300000115.2Q91Q91-G93 PolarHBondContact O-N 3.44Å
94K58.4Low66.1Low158 Ų15875.4 Ų75.469%0.68744%0.436SS*.EExtended strand (participates in β ladder)trans-109.4131.4174.7-64-175.7-179.7-178.10110.4Q91 G92 K96Q91-K94 PolarHBondContact N-O 2.98Å; Q91-K94 PolarHBondContact O-N 2.76Å; Q91-K94 VanDerWaalsContact O-O 3.05Å; G92-K94 PolarHBondContact O-N 3.33Å; K94-K96 PolarHBondContact O-N 2.77Å; K94-K96 VanDerWaalsContact O-N 3.15Å
95L57.1Low67.9Low127 Ų12774.7 Ų74.767%0.66544%0.437SS*.EExtended strand (participates in β ladder)trans-66.9108.8167.6-85.4151.8000108V90V90-L95 HydrophobicContact CG2-CD2 3.95Å; V90-L95 HydrophobicContact CG2-CG 4.15Å
96K62Low69.8Low123 Ų12374.3 Ų74.354%0.53543%0.434SS..EExtended strand (participates in β ladder)trans-101.8111.4167.1-73.3-168.1178-176.20107.2R89 K94 K98R89-K96 PolarHBondContact O-N 3.19Å; R89-K96 VanDerWaalsContact O-N 3.16Å; K94-K96 PolarHBondContact O-N 2.77Å; K94-K96 VanDerWaalsContact O-N 3.15Å; K96-K98 PolarHBondContact O-N 2.87Å
97A67.8Low71.9Confident82 Ų8270.5 Ų70.568%0.67840%0.402SS*.EExtended strand (participates in β ladder)trans-61120.5169.200000108
98K80.1Confident74Confident80 Ų8072.3 Ų72.335%0.34840%0.404SS..EExtended strand (participates in β ladder)trans-101.6127.9169.9-72.6-172.5178.8-175.90108N66 V87 K96N66-K98 HydrophobicContact CB-CB 4.25Å; N66-K98 HydrophobicContact CB-CG 4.46Å; N66-K98 WeakPolarHBondContact OD1-CA 3.43Å; V87-K98 PolarHBondContact O-N 2.65Å; K96-K98 PolarHBondContact O-N 2.87Å
99V87.4Confident76.3Confident32 Ų3273.5 Ų73.519%0.19440%0.404CS..EExtended strand (participates in β ladder)trans-86.6113.9174.4173.30000107.4P63 I65 N66 K67 L126P63-V99 HydrophobicContact CB-CG2 4.24Å; I65-V99 HydrophobicContact CB-CG1 4.44Å; I65-V99 HydrophobicContact CG1-CG1 4.13Å; I65-V99 HydrophobicContact CG2-CG1 4.4Å; N66-V99 WeakPolarHBondContact CB-O 3.47Å; N66-V99 PolarHBondContact N-O 2.84Å; N66-V99 PolarHBondContact OD1-N 3.46Å; K67-V99 PolarHBondContact N-O 3.21Å; V99-L126 HydrophobicContact CB-CD2 4.4Å; V99-L126 HydrophobicContact CG1-CD2 3.24Å; V99-L126 HydrophobicContact CG2-CD2 4.31Å
100E90.8Very high78.4Confident33 Ų3365 Ų6515%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-115.9127.3172-57.4-168.217000108.8K67 R102K67-E100 HydrophobicContact CB-CB 4.22Å; K67-E100 HydrophobicContact CB-CG 3.86Å; K67-E100 CarbonylContact O-C 3.42Å; K67-E100 WeakPolarHBondContact O-CA 3.44Å; E100-R102 IonicContact OE2-CZ 2.71Å; E100-R102 IonicContact OE2-NE 3.14Å; E100-R102 PolarHBondContact OE2-NE 3.03Å; E100-R102 IonicContact OE2-NH2 3.57Å; E100-R102 PolarHBondContact OE2-NH2 2.92Å
101I91.2Very high80.8Confident1 Ų160.5 Ų60.51%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-101.7129.7170.9-65.3178.7000107.9T51 I65 K67 V68 M69 V103 E122 L123T51-I101 HydrophobicContact CG2-CD1 3.89Å; I65-I101 HydrophobicContact CD1-CD1 3.8Å; I65-I101 HydrophobicContact CG1-CD1 4.32Å; I65-I101 HydrophobicContact CG2-CD1 4.4Å; I65-I101 HydrophobicContact CG2-CG1 4.43Å; K67-I101 PolarHBondContact O-N 3.21Å; V68-I101 VanDerWaalsContact CA-O 3.31Å; V68-I101 WeakPolarHBondContact CA-O 3.44Å; V68-I101 HydrophobicContact CG1-CB 4.3Å; V68-I101 HydrophobicContact CG1-CG2 4.27Å; V68-I101 HydrophobicContact CG2-CB 4.28Å; M69-I101 PolarHBondContact N-O 3.36Å; I101-V103 HydrophobicContact CG2-CG2 4.31Å; I101-E122 HydrophobicContact CD1-CB 4.13Å; I101-E122 HydrophobicContact CG1-CB 4.31Å; I101-E122 HydrophobicContact CG2-CB 3.72Å; I101-E122 HydrophobicContact CG2-CG 3.87Å; I101-L123 HydrophobicContact CD1-CD2 4.12Å
102R90.4Very high83Confident54 Ų5457.7 Ų57.720%0.20433%0.332CS..EExtended strand (participates in β ladder)trans-128.1121.3-178.7-63.9177.5176.5-105.8-5109.4M69 D71 I74 E100M69-R102 HydrophobicContact CG-CG 4.35Å; M69-R102 WeakPolarHBondContact O-CA 3.5Å; D71-R102 HydrophobicContact CB-CB 4.22Å; D71-R102 WeakPolarHBondContact OD2-CD 3.36Å; D71-R102 IonicContact OD2-CZ 3.88Å; D71-R102 IonicContact OD2-NE 3.62Å; D71-R102 IonicContact OD2-NH1 3.63Å; D71-R102 PolarHBondContact OD2-NH1 2.99Å; I74-R102 HydrophobicContact CD1-CB 3.27Å; I74-R102 HydrophobicContact CD1-CG 4.38Å; E100-R102 IonicContact OE2-CZ 2.71Å; E100-R102 IonicContact OE2-NE 3.14Å; E100-R102 PolarHBondContact OE2-NE 3.03Å; E100-R102 IonicContact OE2-NH2 3.57Å; E100-R102 PolarHBondContact OE2-NH2 2.92Å
103V91.4Very high84.8Confident1 Ų155.5 Ų55.51%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-107.1131.8-178178.40000109L47 M69 Y70 D71 I101 T105 F107 L115 I118L47-V103 HydrophobicContact CD1-CG2 4.41Å; L47-V103 HydrophobicContact CD2-CB 4.09Å; L47-V103 HydrophobicContact CD2-CG2 4.03Å; M69-V103 PolarHBondContact O-N 3.18Å; Y70-V103 CarbonylContact C-O 3.5Å; Y70-V103 VanDerWaalsContact CA-O 3.24Å; Y70-V103 WeakPolarHBondContact CA-O 3.4Å; Y70-V103 HydrophobicContact CD1-CB 4.12Å; Y70-V103 HydrophobicContact CD1-CG1 4.07Å; Y70-V103 HydrophobicContact CE1-CB 4.31Å; Y70-V103 HydrophobicContact CE1-CG1 3.94Å; D71-V103 PolarHBondContact N-O 3.18Å; I101-V103 HydrophobicContact CG2-CG2 4.31Å; V103-T105 PolarHBondContact O-N 3.29Å; V103-F107 HydrophobicContact CG1-CB 3.65Å; V103-F107 HydrophobicContact CG1-CD2 3.91Å; V103-F107 HydrophobicContact CG1-CG 4.02Å; V103-L115 HydrophobicContact CG1-CD1 4.47Å; V103-I118 HydrophobicContact CG1-CG2 4Å; V103-I118 HydrophobicContact CG2-CG2 4.44Å
104A90.9Very high86.3Confident5 Ų552 Ų524%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-58.5139.917800000111I74 V76 V106 F107I74-A104 HydrophobicContact CB-CB 4.34Å; I74-A104 HydrophobicContact CG2-CB 3.88Å; V76-A104 HydrophobicContact CG2-CB 3.77Å; A104-V106 HydrophobicContact CB-CG1 4.01Å; A104-V106 PolarHBondContact O-N 2.8Å; A104-F107 HydrophobicContact CB-CD2 4.1Å; A104-F107 HydrophobicContact CB-CE2 4.41Å; A104-F107 PolarHBondContact O-N 2.7Å
105T91Very high88.2Confident53 Ų5344.5 Ų44.533%0.32524%0.235SC..G310 helixtrans-60.7-23.3-174.5-62.70000113.3D71 N72 V103 F107 R108D71-T105 VanDerWaalsContact C-OG1 3.28Å; D71-T105 PolarHBondContact O-N 3.44Å; D71-T105 VanDerWaalsContact O-N 3.1Å; D71-T105 PolarHBondContact O-OG1 3.48Å; D71-T105 VanDerWaalsContact O-OG1 3.12Å; N72-T105 WeakPolarHBondContact CA-OG1 3.39Å; N72-T105 PolarHBondContact N-OG1 2.76Å; V103-T105 PolarHBondContact O-N 3.29Å; T105-F107 PolarHBondContact O-N 3.23Å; T105-R108 WeakPolarHBondContact O-CB 3.26Å; T105-R108 PolarHBondContact O-N 2.87Å
106V90.1Very high90.1Very high54 Ų5441.3 Ų41.333%0.32721%0.214SC..G310 helixtrans-54.4-35.1173.369.10000112.3V76 A104 R108 W156 L157 L160V76-V106 HydrophobicContact CG2-CG1 4.2Å; A104-V106 HydrophobicContact CB-CG1 4.01Å; A104-V106 PolarHBondContact O-N 2.8Å; V106-R108 PolarHBondContact O-N 3.33Å; V106-W156 HydrophobicContact CG2-CH2 3.89Å; V106-W156 HydrophobicContact CG2-CZ3 4.21Å; V106-W156 WeakPolarHBondContact O-CH2 3.42Å; V106-L157 HydrophobicContact CG1-CD2 4.17Å; V106-L157 HydrophobicContact CG2-CD2 4.5Å; V106-L160 HydrophobicContact CG2-CD1 3.36Å
107F93.6Very high91.7Very high1 Ų135.4 Ų35.40%0.00419%0.188CC..G310 helixtrans-70.8-12.8179.3-72.5-80000113.6H39 Y70 V76 V103 A104 T105 N109 A110 F114 I118 T153 W156H39-F107 PolarHBondContact CE1-O 2.82Å; H39-F107 PolarHBondContact NE2-O 2.98Å; Y70-F107 HydrophobicContact CE1-CB 4.48Å; V76-F107 HydrophobicContact CG2-CE2 4.2Å; V103-F107 HydrophobicContact CG1-CB 3.65Å; V103-F107 HydrophobicContact CG1-CD2 3.91Å; V103-F107 HydrophobicContact CG1-CG 4.02Å; A104-F107 HydrophobicContact CB-CD2 4.1Å; A104-F107 HydrophobicContact CB-CE2 4.41Å; A104-F107 PolarHBondContact O-N 2.7Å; T105-F107 PolarHBondContact O-N 3.23Å; F107-N109 PolarHBondContact O-N 3.12Å; F107-N109 VanDerWaalsContact O-N 3.12Å; F107-A110 HydrophobicContact CB-CB 4.5Å; F107-A110 HydrophobicContact CD1-CB 4.1Å; F107-A110 WeakPolarHBondContact O-CB 3.24Å; F107-A110 PolarHBondContact O-N 2.89Å; F107-F114 HydrophobicContact CE1-CB 4.34Å; F107-I118 HydrophobicContact CD1-CG2 4.23Å; F107-I118 HydrophobicContact CE1-CB 4.31Å; F107-I118 HydrophobicContact CE1-CG2 4.42Å; F107-I118 HydrophobicContact CE2-CD1 4.39Å; F107-I118 HydrophobicContact CE2-CG1 4.26Å; F107-I118 HydrophobicContact CG-CG2 4.33Å; F107-I118 HydrophobicContact CZ-CB 4.32Å; F107-I118 HydrophobicContact CZ-CD1 4.31Å; F107-I118 HydrophobicContact CZ-CG1 4.33Å; F107-T153 HydrophobicContact CE1-CG2 3.63Å; F107-T153 HydrophobicContact CZ-CG2 3.83Å; F107-W156 HydrophobicContact CD1-CZ3 4.17Å; F107-W156 HydrophobicContact CE1-CZ3 4.14Å
108R93.8Very high93Very high78 Ų7831.6 Ų31.629%0.29416%0.156SC..G310 helixtrans-57.7-29.8179.8-173176.1-68.7-125.74.5113.2H39 A42 D44 Y70 T105 V106H39-R108 PolarHBondContact CE1-O 2.79Å; A42-R108 HydrophobicContact CB-CG 3.79Å; A42-R108 VanDerWaalsContact O-CD 3.31Å; A42-R108 WeakPolarHBondContact O-CD 3.48Å; A42-R108 VanDerWaalsContact O-CZ 3.23Å; A42-R108 PolarHBondContact O-NE 3.43Å; A42-R108 PolarHBondContact O-NH1 2.89Å; D44-R108 IonicContact OD1-NH2 3.33Å; Y70-R108 HydrophobicContact CD1-CB 4.34Å; Y70-R108 HydrophobicContact CE1-CB 4.11Å; Y70-R108 HydrophobicContact CE2-CG 4.43Å; T105-R108 WeakPolarHBondContact O-CB 3.26Å; T105-R108 PolarHBondContact O-N 2.87Å; V106-R108 PolarHBondContact O-N 3.33Å
109N91.2Very high93.8Very high109 Ų10927.8 Ų27.858%0.58314%0.14SC*.G310 helixtrans-116.325179.8-57.3-34.5000111.3T38 F107T38-N109 HydrophobicContact CG2-CB 4.43Å; T38-N109 WeakPolarHBondContact CG2-O 3.28Å; F107-N109 PolarHBondContact O-N 3.12Å; F107-N109 VanDerWaalsContact O-N 3.12Å
110A95.2Very high94.2Very high0 Ų026.3 Ų26.30%013%0.13CC..SBendtrans-80.2158.6176.500000111T38 H39 F107 F114 W156T38-A110 WeakPolarHBondContact CA-O 3.31Å; H39-A110 PolarHBondContact CD2-O 3.2Å; H39-A110 PolarHBondContact N-O 2.89Å; F107-A110 HydrophobicContact CB-CB 4.5Å; F107-A110 HydrophobicContact CD1-CB 4.1Å; F107-A110 WeakPolarHBondContact O-CB 3.24Å; F107-A110 PolarHBondContact O-N 2.89Å; A110-F114 HydrophobicContact CB-CB 4.15Å; A110-W156 HydrophobicContact CB-CH2 3.56Å; A110-W156 HydrophobicContact CB-CZ2 3.86Å; A110-W156 HydrophobicContact CB-CZ3 4.12Å
111P97.8Very high94.4Very high10 Ų1025.1 Ų25.17%0.06513%0.125CC..  trans-52143.2157-2533.5000111.4P113 F114 L115P111-P113 VanDerWaalsContact C-CD 3.44Å; P111-P113 VanDerWaalsContact C-N 3.31Å; P111-F114 HydrophobicContact CB-CD2 4.22Å; P111-F114 HydrophobicContact CB-CE2 4.39Å; P111-F114 HydrophobicContact CG-CD2 3.9Å; P111-F114 HydrophobicContact CG-CE2 3.83Å; P111-F114 PolarHBondContact O-N 2.92Å; P111-L115 PolarHBondContact O-N 3.41Å
112E98Very high94.5Very high55 Ų5525.1 Ų25.126%0.25713%0.125SC..Hα-helixtrans-52.1-41.3179.9-169.6-81.2164.200113.5H39 Y41 Y50 F114 L115 R116H39-E112 HydrophobicContact CB-CB 3.76Å; H39-E112 HydrophobicContact CB-CG 4.19Å; Y41-E112 HydrophobicContact CE2-CG 4.22Å; Y50-E112 HydrophobicContact CE2-CG 4.5Å; Y50-E112 WeakPolarHBondContact CE2-OE1 3.29Å; Y50-E112 PolarHBondContact OH-OE1 3.42Å; E112-F114 PolarHBondContact O-N 3.41Å; E112-F114 VanDerWaalsContact O-N 3.16Å; E112-L115 CarbonylContact O-C 3.59Å; E112-L115 WeakPolarHBondContact O-CA 3.35Å; E112-L115 WeakPolarHBondContact O-CB 3.23Å; E112-L115 PolarHBondContact O-N 3.35Å; E112-R116 PolarHBondContact O-N 3.49Å; E112-R116 IonicContact OE1-CZ 2.84Å; E112-R116 IonicContact OE1-NH1 3.75Å; E112-R116 PolarHBondContact OE1-NH1 3.06Å
113P98.3Very high94.7Very high37 Ų3722.5 Ų22.524%0.2412%0.115CC..Hα-helixtrans-61-28.8-179.9-28.838.7000114.1Y35 P111 M117 L149Y35-P113 HydrophobicContact CD1-CB 4.11Å; Y35-P113 HydrophobicContact CD1-CG 3.94Å; Y35-P113 HydrophobicContact CE1-CB 3.96Å; Y35-P113 HydrophobicContact CE1-CG 4.13Å; P111-P113 VanDerWaalsContact C-CD 3.44Å; P111-P113 VanDerWaalsContact C-N 3.31Å; P113-M117 WeakPolarHBondContact O-CB 3.45Å; P113-M117 PolarHBondContact O-N 3.36Å; P113-L149 HydrophobicContact CB-CD1 4.28Å; P113-L149 HydrophobicContact CB-CD2 3.67Å
114F96.7Very high94.8Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-78-36.2176.8-58.3-16.6000111.4L31 Y35 F107 A110 P111 E112 R116 M117 I118 D152 T153 W156L31-F114 HydrophobicContact CD2-CZ 4.45Å; Y35-F114 HydrophobicContact CD1-CE1 4.13Å; Y35-F114 HydrophobicContact CD1-CZ 4.37Å; Y35-F114 AromaticContact CD2-CE1 3.72Å; Y35-F114 HydrophobicContact CD2-CE1 3.72Å; Y35-F114 HydrophobicContact CD2-CE2 4.42Å; Y35-F114 AromaticContact CD2-CZ 3.38Å; Y35-F114 HydrophobicContact CD2-CZ 3.38Å; Y35-F114 HydrophobicContact CE1-CE1 4.09Å; Y35-F114 AromaticContact CE2-CE1 3.67Å; Y35-F114 HydrophobicContact CE2-CE1 3.67Å; Y35-F114 AromaticContact CE2-CZ 3.73Å; Y35-F114 HydrophobicContact CE2-CZ 3.73Å; Y35-F114 AromaticContact CG-CE1 3.95Å; Y35-F114 HydrophobicContact CG-CE1 3.95Å; Y35-F114 AromaticContact CG-CZ 3.74Å; Y35-F114 HydrophobicContact CG-CZ 3.74Å; Y35-F114 AromaticContact CZ-CE1 3.87Å; F107-F114 HydrophobicContact CE1-CB 4.34Å; A110-F114 HydrophobicContact CB-CB 4.15Å; P111-F114 HydrophobicContact CB-CD2 4.22Å; P111-F114 HydrophobicContact CB-CE2 4.39Å; P111-F114 HydrophobicContact CG-CD2 3.9Å; P111-F114 HydrophobicContact CG-CE2 3.83Å; P111-F114 PolarHBondContact O-N 2.92Å; E112-F114 PolarHBondContact O-N 3.41Å; E112-F114 VanDerWaalsContact O-N 3.16Å; F114-R116 VanDerWaalsContact C-N 3.31Å; F114-M117 PolarHBondContact O-N 3.07Å; F114-I118 PolarHBondContact O-N 2.96Å; F114-I118 VanDerWaalsContact O-N 3.07Å; F114-D152 HydrophobicContact CE1-CB 3.87Å; F114-D152 HydrophobicContact CZ-CB 4.25Å; F114-T153 HydrophobicContact CB-CG2 4.36Å; F114-T153 WeakPolarHBondContact CD1-OG1 3.25Å; F114-T153 WeakPolarHBondContact CG-OG1 3.33Å; F114-W156 HydrophobicContact CD2-CB 4.04Å; F114-W156 AromaticContact CD2-CD2 3.79Å; F114-W156 HydrophobicContact CD2-CD2 3.79Å; F114-W156 AromaticContact CD2-CE3 4Å; F114-W156 HydrophobicContact CD2-CE3 4Å; F114-W156 AromaticContact CD2-CG 3.82Å; F114-W156 HydrophobicContact CD2-CG 3.82Å; F114-W156 HydrophobicContact CE2-CB 3.43Å; F114-W156 VanDerWaalsContact CE2-CB 3.43Å; F114-W156 AromaticContact CE2-CD1 3.84Å; F114-W156 AromaticContact CE2-CD2 3.94Å; F114-W156 HydrophobicContact CE2-CD2 3.94Å; F114-W156 AromaticContact CE2-CG 3.45Å; F114-W156 HydrophobicContact CE2-CG 3.45Å; F114-W156 VanDerWaalsContact CE2-CG 3.45Å; F114-W156 HydrophobicContact CZ-CB 4.07Å; F114-W156 HydrophobicContact CZ-CG 4.49Å
115L96.4Very high94.9Very high0 Ų022.8 Ų22.80%012%0.115CC..Hα-helixtrans-62.2-42.3168.6-179.969.6000110.9H39 Y41 L47 Y50 V103 P111 E112 I118 V119H39-L115 VanDerWaalsContact CD2-CB 3.45Å; H39-L115 WeakPolarHBondContact CD2-CB 3.45Å; Y41-L115 HydrophobicContact CD2-CD2 3.65Å; Y41-L115 HydrophobicContact CG-CD2 4.02Å; L47-L115 HydrophobicContact CD1-CD1 3.74Å; L47-L115 HydrophobicContact CD1-CD2 4.43Å; Y50-L115 HydrophobicContact CD1-CD2 4.04Å; Y50-L115 HydrophobicContact CD1-CG 4.4Å; Y50-L115 HydrophobicContact CE1-CD2 3.98Å; Y50-L115 HydrophobicContact CE1-CG 4.03Å; Y50-L115 HydrophobicContact CG-CD2 4.44Å; V103-L115 HydrophobicContact CG1-CD1 4.47Å; P111-L115 PolarHBondContact O-N 3.41Å; E112-L115 CarbonylContact O-C 3.59Å; E112-L115 WeakPolarHBondContact O-CA 3.35Å; E112-L115 WeakPolarHBondContact O-CB 3.23Å; E112-L115 PolarHBondContact O-N 3.35Å; L115-I118 HydrophobicContact CD1-CG2 4.17Å; L115-I118 WeakPolarHBondContact O-CG2 3.38Å; L115-I118 PolarHBondContact O-N 3.06Å; L115-V119 HydrophobicContact CD1-CG2 4.15Å; L115-V119 HydrophobicContact CG-CG2 4.3Å; L115-V119 WeakPolarHBondContact O-CB 3.44Å; L115-V119 VanDerWaalsContact O-CG2 3.3Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.49Å
116R97.7Very high94.9Very high59 Ų5921 Ų2122%0.22310%0.104CC..Hα-helixtrans-59.9-49.4177.3-165.2171.5-153.489.63.7111.6Y50 E112 F114 I118 V119 V120 E143Y50-R116 WeakPolarHBondContact OH-CA 3.41Å; Y50-R116 WeakPolarHBondContact OH-CB 3.21Å; Y50-R116 WeakPolarHBondContact OH-CG 3.43Å; Y50-R116 PolarHBondContact OH-NH1 3.16Å; E112-R116 PolarHBondContact O-N 3.49Å; E112-R116 IonicContact OE1-CZ 2.84Å; E112-R116 IonicContact OE1-NH1 3.75Å; E112-R116 PolarHBondContact OE1-NH1 3.06Å; F114-R116 VanDerWaalsContact C-N 3.31Å; R116-I118 VanDerWaalsContact C-N 3.33Å; R116-I118 PolarHBondContact O-N 3.36Å; R116-V119 PolarHBondContact O-N 3.17Å; R116-V120 HydrophobicContact CG-CG2 4.43Å; R116-V120 WeakPolarHBondContact O-CB 3.47Å; R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.45Å; R116-V120 PolarHBondContact O-N 2.99Å; R116-E143 VanDerWaalsContact CD-OE2 3.31Å; R116-E143 WeakPolarHBondContact CD-OE2 3.33Å; R116-E143 IonicContact NE-OE2 2.75Å
117M96.9Very high95Very high0 Ų024.2 Ų24.20%011%0.113CC..Hα-helixtrans-55.7-48.5177.5-178.8-72.3-63.600111L81 P113 F114 V120 H121 Y146 L149 E150 T153L81-M117 HydrophobicContact CD1-CE 3.8Å; L81-M117 HydrophobicContact CD1-SD 4.2Å; P113-M117 WeakPolarHBondContact O-CB 3.45Å; P113-M117 PolarHBondContact O-N 3.36Å; F114-M117 PolarHBondContact O-N 3.07Å; M117-V120 PolarHBondContact O-N 2.95Å; M117-H121 WeakPolarHBondContact O-CB 3.22Å; M117-H121 PolarHBondContact O-N 3.3Å; M117-Y146 HydrophobicContact CG-CD2 4.25Å; M117-Y146 HydrophobicContact CG-CE2 4.04Å; M117-Y146 HydrophobicContact SD-CE2 4.19Å; M117-L149 HydrophobicContact CB-CB 3.84Å; M117-L149 HydrophobicContact CG-CB 3.93Å; M117-E150 HydrophobicContact CG-CB 4.29Å; M117-E150 HydrophobicContact SD-CB 4.32Å; M117-E150 HydrophobicContact SD-CG 4.29Å; M117-T153 HydrophobicContact CE-CG2 3.5Å; M117-T153 VanDerWaalsContact CE-CG2 3.5Å; M117-T153 VanDerWaalsContact CE-OG1 3.29Å; M117-T153 WeakPolarHBondContact CE-OG1 3.24Å
118I94.8Very high95Very high2 Ų226.8 Ų26.81%0.0113%0.126CC..Hα-helixtrans-65.9-45.4-179.2-160.968.1000110.8L81 V103 F107 F114 L115 R116 V120 H121 E122L81-I118 VanDerWaalsContact C-CD1 3.42Å; L81-I118 HydrophobicContact CB-CD1 3.98Å; L81-I118 WeakPolarHBondContact O-CD1 3.24Å; V103-I118 HydrophobicContact CG1-CG2 4Å; V103-I118 HydrophobicContact CG2-CG2 4.44Å; F107-I118 HydrophobicContact CD1-CG2 4.23Å; F107-I118 HydrophobicContact CE1-CB 4.31Å; F107-I118 HydrophobicContact CE1-CG2 4.42Å; F107-I118 HydrophobicContact CE2-CD1 4.39Å; F107-I118 HydrophobicContact CE2-CG1 4.26Å; F107-I118 HydrophobicContact CG-CG2 4.33Å; F107-I118 HydrophobicContact CZ-CB 4.32Å; F107-I118 HydrophobicContact CZ-CD1 4.31Å; F107-I118 HydrophobicContact CZ-CG1 4.33Å; F114-I118 PolarHBondContact O-N 2.96Å; F114-I118 VanDerWaalsContact O-N 3.07Å; L115-I118 HydrophobicContact CD1-CG2 4.17Å; L115-I118 WeakPolarHBondContact O-CG2 3.38Å; L115-I118 PolarHBondContact O-N 3.06Å; R116-I118 VanDerWaalsContact C-N 3.33Å; R116-I118 PolarHBondContact O-N 3.36Å; I118-V120 VanDerWaalsContact C-N 3.33Å; I118-V120 PolarHBondContact O-N 3.04Å; I118-H121 WeakPolarHBondContact O-CB 3.45Å; I118-H121 PolarHBondContact O-N 3.01Å; I118-E122 HydrophobicContact CG1-CG 4.49Å; I118-E122 VanDerWaalsContact O-CG 3.23Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 3.42Å
119V95.7Very high94.7Very high0 Ų029.3 Ų29.30%014%0.138CC..Hα-helixtrans-63.5-38.5179.2173.80000111.8L47 Y50 T51 L54 L115 R116 E122 L123L47-V119 HydrophobicContact CD1-CG2 4.2Å; Y50-V119 HydrophobicContact CD1-CB 4.47Å; Y50-V119 HydrophobicContact CD1-CG1 4.37Å; Y50-V119 HydrophobicContact CD1-CG2 4.06Å; Y50-V119 HydrophobicContact CE1-CB 4.11Å; Y50-V119 HydrophobicContact CE1-CG1 4.31Å; Y50-V119 HydrophobicContact CE1-CG2 3.98Å; T51-V119 HydrophobicContact CG2-CG1 3.98Å; L54-V119 HydrophobicContact CD1-CB 4.14Å; L54-V119 HydrophobicContact CD1-CG1 3.6Å; L115-V119 HydrophobicContact CD1-CG2 4.15Å; L115-V119 HydrophobicContact CG-CG2 4.3Å; L115-V119 WeakPolarHBondContact O-CB 3.44Å; L115-V119 VanDerWaalsContact O-CG2 3.3Å; L115-V119 WeakPolarHBondContact O-CG2 3.44Å; L115-V119 PolarHBondContact O-N 3.49Å; R116-V119 PolarHBondContact O-N 3.17Å; V119-E122 PolarHBondContact O-N 2.64Å; V119-L123 HydrophobicContact CG1-CD1 3.84Å; V119-L123 HydrophobicContact CG1-CG 4.19Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.26Å; V119-L123 PolarHBondContact O-N 3.15Å
120V96.8Very high94.7Very high0 Ų030.5 Ų30.50%014%0.14CC..Hα-helixtrans-63.8-45.1174.3162.60000111.6R116 M117 I118 E122 L123 A124 C139 M142 E143 Y146R116-V120 HydrophobicContact CG-CG2 4.43Å; R116-V120 WeakPolarHBondContact O-CB 3.47Å; R116-V120 VanDerWaalsContact O-CG2 3.3Å; R116-V120 WeakPolarHBondContact O-CG2 3.45Å; R116-V120 PolarHBondContact O-N 2.99Å; M117-V120 PolarHBondContact O-N 2.95Å; I118-V120 VanDerWaalsContact C-N 3.33Å; I118-V120 PolarHBondContact O-N 3.04Å; V120-E122 PolarHBondContact O-N 3.45Å; V120-L123 PolarHBondContact O-N 2.77Å; V120-A124 WeakPolarHBondContact O-CB 3.46Å; V120-A124 PolarHBondContact O-N 3.25Å; V120-C139 HydrophobicContact CG1-CB 4.03Å; V120-M142 HydrophobicContact CG1-CB 3.88Å; V120-M142 HydrophobicContact CG1-CE 3.97Å; V120-M142 HydrophobicContact CG2-CB 3.9Å; V120-M142 WeakPolarHBondContact O-CE 3.37Å; V120-E143 HydrophobicContact CG1-CB 4.22Å; V120-E143 HydrophobicContact CG2-CB 4.07Å; V120-Y146 HydrophobicContact CG1-CD2 3.8Å; V120-Y146 HydrophobicContact CG1-CE2 4.01Å
121H94.6Very high94.5Very high9 Ų935 Ų354%0.04216%0.161CC..Hα-helixtrans-54.4-46.1172.2-174.5107.6000109.8H84 M117 I118 A124 H125 H131 F135 Y146H84-H121 AromaticContact NE2-CD2 3.94Å; M117-H121 WeakPolarHBondContact O-CB 3.22Å; M117-H121 PolarHBondContact O-N 3.3Å; I118-H121 WeakPolarHBondContact O-CB 3.45Å; I118-H121 PolarHBondContact O-N 3.01Å; H121-A124 PolarHBondContact O-N 2.91Å; H121-H125 AromaticContact CD2-CD2 3.62Å; H121-H125 AromaticContact CD2-NE2 3.77Å; H121-H125 AromaticContact NE2-CD2 3.67Å; H121-H125 AromaticContact NE2-NE2 3.29Å; H121-H125 PolarHBondContact NE2-NE2 3.29Å; H121-H125 PolarHBondContact O-CD2 3.12Å; H121-H125 PolarHBondContact O-N 2.89Å; H121-H131 AromaticContact CE1-CD2 3.61Å; H121-H131 AromaticContact CE1-NE2 3.18Å; H121-H131 PolarHBondContact CE1-NE2 2.92Å; H121-H131 AromaticContact NE2-NE2 3.18Å; H121-H131 PolarHBondContact NE2-NE2 3.07Å; H121-H131 VanDerWaalsContact NE2-NE2 3.18Å; H121-F135 AromaticContact CE1-CZ 3.69Å; H121-F135 AromaticContact CG-CZ 3.82Å; H121-F135 AromaticContact ND1-CE1 3.97Å; H121-F135 AromaticContact ND1-CZ 3.61Å; H121-F135 AromaticContact NE2-CZ 3.95Å; H121-Y146 HydrophobicContact CB-CE2 4.21Å; H121-Y146 WeakPolarHBondContact CB-OH 3.36Å; H121-Y146 PolarHBondContact ND1-OH 3.3Å
122E92.5Very high94.3Very high0 Ų037.9 Ų37.90%018%0.176CC..Hα-helixtrans-68-38.9-177.7-59.2-66.6112.800113.8H84 I101 I118 V119 V120 H125H84-E122 IonicContact CD2-OE1 3.89Å; H84-E122 PolarHBondContact CD2-OE1 3.14Å; H84-E122 IonicContact CD2-OE2 3.93Å; H84-E122 WeakPolarHBondContact CE1-CA 3.31Å; H84-E122 PolarHBondContact CE1-O 2.98Å; H84-E122 IonicContact CE1-OE1 3.54Å; H84-E122 IonicContact CE1-OE2 2.71Å; H84-E122 PolarHBondContact CE1-OE2 3.24Å; H84-E122 IonicContact CG-OE2 3.56Å; H84-E122 IonicContact ND1-OE2 4Å; H84-E122 VanDerWaalsContact NE2-CA 3.28Å; H84-E122 WeakPolarHBondContact NE2-CA 3.25Å; H84-E122 IonicContact NE2-OE1 2.77Å; H84-E122 PolarHBondContact NE2-OE1 3.11Å; H84-E122 IonicContact NE2-OE2 3.73Å; H84-E122 PolarHBondContact NE2-OE2 3.12Å; I101-E122 HydrophobicContact CD1-CB 4.13Å; I101-E122 HydrophobicContact CG1-CB 4.31Å; I101-E122 HydrophobicContact CG2-CB 3.72Å; I101-E122 HydrophobicContact CG2-CG 3.87Å; I118-E122 HydrophobicContact CG1-CG 4.49Å; I118-E122 VanDerWaalsContact O-CG 3.23Å; I118-E122 WeakPolarHBondContact O-CG 3.5Å; I118-E122 PolarHBondContact O-N 3.42Å; V119-E122 PolarHBondContact O-N 2.64Å; V120-E122 PolarHBondContact O-N 3.45Å; E122-H125 PolarHBondContact O-N 3.4Å
123L94.9Very high94.3Very high0 Ų042.9 Ų42.90%020%0.197CC..Hα-helixtrans-68-35.9176.3-75.4175.4000112.5T51 L54 K55 L59 I65 I101 V119 V120 H125 L126 M142T51-L123 HydrophobicContact CG2-CD2 4.07Å; T51-L123 HydrophobicContact CG2-CG 4.48Å; L54-L123 HydrophobicContact CB-CD1 3.6Å; K55-L123 HydrophobicContact CB-CD1 4.47Å; K55-L123 HydrophobicContact CB-CD2 3.81Å; K55-L123 HydrophobicContact CG-CD2 4.07Å; L59-L123 HydrophobicContact CD1-CB 3.78Å; L59-L123 HydrophobicContact CD1-CD2 4.41Å; L59-L123 WeakPolarHBondContact CD1-O 3.44Å; I65-L123 HydrophobicContact CD1-CD2 3.63Å; I101-L123 HydrophobicContact CD1-CD2 4.12Å; V119-L123 HydrophobicContact CG1-CD1 3.84Å; V119-L123 HydrophobicContact CG1-CG 4.19Å; V119-L123 WeakPolarHBondContact O-CB 3.31Å; V119-L123 WeakPolarHBondContact O-CG 3.26Å; V119-L123 PolarHBondContact O-N 3.15Å; V120-L123 PolarHBondContact O-N 2.77Å; L123-H125 PolarHBondContact O-N 2.94Å; L123-L126 HydrophobicContact CD2-CD1 3.88Å; L123-L126 VanDerWaalsContact O-CB 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.34Å; L123-L126 VanDerWaalsContact O-CG 3.25Å; L123-L126 WeakPolarHBondContact O-CG 3.37Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-L126 VanDerWaalsContact O-N 3.1Å; L123-M142 HydrophobicContact CB-CE 4.08Å; L123-M142 HydrophobicContact CB-SD 4.09Å
124A94.6Very high94.2Very high0 Ų042.9 Ų42.90%020%0.2CC..Hα-helixtrans-61.4-36.5177.200000111.7V120 H121 L126 K127 E128 F135 L138 C139 M142V120-A124 WeakPolarHBondContact O-CB 3.46Å; V120-A124 PolarHBondContact O-N 3.25Å; H121-A124 PolarHBondContact O-N 2.91Å; A124-L126 PolarHBondContact O-N 2.91Å; A124-L126 VanDerWaalsContact O-N 3.09Å; A124-K127 PolarHBondContact O-N 3.02Å; A124-E128 PolarHBondContact O-N 2.92Å; A124-F135 HydrophobicContact CB-CD2 3.83Å; A124-F135 HydrophobicContact CB-CE2 3.5Å; A124-F135 VanDerWaalsContact CB-CE2 3.5Å; A124-F135 HydrophobicContact CB-CZ 4.08Å; A124-L138 HydrophobicContact CB-CB 4.46Å; A124-L138 HydrophobicContact CB-CD2 4.1Å; A124-L138 HydrophobicContact CB-CG 4.23Å; A124-C139 WeakPolarHBondContact CB-SG 3.45Å; A124-M142 HydrophobicContact CB-CE 3.84Å
125H91.6Very high94.2Very high11 Ų1142.9 Ų42.95%0.05120%0.2CC..THydrogen-bonded Turntrans-65.8-9.4176.2-82-64.9000115.5H84 H121 E122 L123 K127 E128 K129 H131 F135H84-H125 AromaticContact CD2-CD2 2.87Å; H84-H125 PolarHBondContact CD2-CD2 3.49Å; H84-H125 AromaticContact CD2-CG 3.33Å; H84-H125 AromaticContact CD2-NE2 3.48Å; H84-H125 PolarHBondContact CD2-NE2 3.23Å; H84-H125 WeakPolarHBondContact CE1-CB 3.41Å; H84-H125 AromaticContact CE1-CD2 3.74Å; H84-H125 AromaticContact CE1-CG 3.81Å; H84-H125 AromaticContact CG-CD2 3.59Å; H84-H125 AromaticContact CG-CG 3.54Å; H84-H125 VanDerWaalsContact ND1-CB 3.29Å; H84-H125 WeakPolarHBondContact ND1-CB 3.14Å; H84-H125 AromaticContact ND1-CG 3.84Å; H84-H125 AromaticContact NE2-CD2 2.98Å; H84-H125 PolarHBondContact NE2-CD2 3.16Å; H84-H125 AromaticContact NE2-CG 3.5Å; H84-H125 AromaticContact NE2-NE2 3.97Å; H121-H125 AromaticContact CD2-CD2 3.62Å; H121-H125 AromaticContact CD2-NE2 3.77Å; H121-H125 AromaticContact NE2-CD2 3.67Å; H121-H125 AromaticContact NE2-NE2 3.29Å; H121-H125 PolarHBondContact NE2-NE2 3.29Å; H121-H125 PolarHBondContact O-CD2 3.12Å; H121-H125 PolarHBondContact O-N 2.89Å; E122-H125 PolarHBondContact O-N 3.4Å; L123-H125 PolarHBondContact O-N 2.94Å; H125-K127 PolarHBondContact O-N 3.38Å; H125-E128 VanDerWaalsContact CA-O 3.29Å; H125-E128 WeakPolarHBondContact CA-O 3.48Å; H125-E128 PolarHBondContact ND1-O 2.94Å; H125-K129 PolarHBondContact CE1-O 3.5Å; H125-K129 PolarHBondContact ND1-O 3.37Å; H125-K129 PolarHBondContact O-NZ 2.91Å; H125-H131 AromaticContact CE1-CE1 3.52Å; H125-H131 AromaticContact CE1-NE2 3.36Å; H125-H131 PolarHBondContact CE1-NE2 3.41Å; H125-H131 AromaticContact NE2-CD2 3.79Å; H125-H131 AromaticContact NE2-CE1 3.44Å; H125-H131 PolarHBondContact NE2-CE1 2.98Å; H125-H131 AromaticContact NE2-NE2 2.92Å; H125-H131 PolarHBondContact NE2-NE2 2.91Å; H125-F135 AromaticContact CD2-CE2 3.34Å; H125-F135 WeakPolarHBondContact CD2-CE2 3.13Å; H125-F135 AromaticContact CD2-CZ 3.85Å; H125-F135 AromaticContact CE1-CE2 3.62Å; H125-F135 AromaticContact CG-CE2 3.69Å; H125-F135 AromaticContact ND1-CE2 3.81Å; H125-F135 AromaticContact NE2-CE2 3.36Å; H125-F135 WeakPolarHBondContact NE2-CE2 3.29Å; H125-F135 AromaticContact NE2-CZ 3.69Å
126L91.6Very high94.2Very high15 Ų1546.1 Ų46.18%0.07921%0.213CC..THydrogen-bonded Turntrans-66.2-29.1168.6-58.3-173.5000112.5L59 A62 I65 V99 L123 A124L59-L126 HydrophobicContact CD1-CD1 4.43Å; A62-L126 HydrophobicContact CB-CB 4.31Å; A62-L126 HydrophobicContact CB-CD1 4.24Å; I65-L126 HydrophobicContact CD1-CD1 4.14Å; I65-L126 HydrophobicContact CG1-CD1 4Å; V99-L126 HydrophobicContact CB-CD2 4.4Å; V99-L126 HydrophobicContact CG1-CD2 3.24Å; V99-L126 HydrophobicContact CG2-CD2 4.31Å; L123-L126 HydrophobicContact CD2-CD1 3.88Å; L123-L126 VanDerWaalsContact O-CB 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.34Å; L123-L126 VanDerWaalsContact O-CG 3.25Å; L123-L126 WeakPolarHBondContact O-CG 3.37Å; L123-L126 PolarHBondContact O-N 3.33Å; L123-L126 VanDerWaalsContact O-N 3.1Å; A124-L126 PolarHBondContact O-N 2.91Å; A124-L126 VanDerWaalsContact O-N 3.09Å
127K92.4Very high94.2Very high122 Ų12248.7 Ų48.753%0.5323%0.227SC..THydrogen-bonded Turntrans-112.6-37-179-64.8-177.366.9-170.90112.6L59 A62 A124 H125 L138L59-K127 HydrophobicContact CD2-CD 3.94Å; A62-K127 HydrophobicContact CB-CG 4.48Å; A124-K127 PolarHBondContact O-N 3.02Å; H125-K127 PolarHBondContact O-N 3.38Å; K127-L138 HydrophobicContact CB-CD2 3.95Å; K127-L138 HydrophobicContact CD-CD2 4.14Å; K127-L138 HydrophobicContact CG-CD2 4.46Å
128E92.6Very high94.2Very high56 Ų5649.7 Ų49.726%0.26223%0.232SC..  trans-119.6109.9-171.8-57.2-57.115300110.9A124 H125 A134 F135 L138A124-E128 PolarHBondContact O-N 2.92Å; H125-E128 VanDerWaalsContact CA-O 3.29Å; H125-E128 WeakPolarHBondContact CA-O 3.48Å; H125-E128 PolarHBondContact ND1-O 2.94Å; E128-A134 HydrophobicContact CG-CB 4.43Å; E128-F135 HydrophobicContact CB-CB 3.88Å; E128-F135 HydrophobicContact CB-CD2 4.04Å; E128-F135 HydrophobicContact CB-CG 4.48Å; E128-L138 HydrophobicContact CG-CD2 4.09Å
129K88.7Confident94.4Very high130 Ų13049.6 Ų49.657%0.56523%0.232SC*.  trans-78.2-35.7-173.9-60.6-54.3-179.7-169.80113.9H125H125-K129 PolarHBondContact CE1-O 3.5Å; H125-K129 PolarHBondContact ND1-O 3.37Å; H125-K129 PolarHBondContact O-NZ 2.91Å
130E90.1Very high94.5Very high134 Ų13451.4 Ų51.463%0.62625%0.245SC*.SBendtrans-99144.2-177.5-57.5-55.9133.100110.6N132 F135E130-N132 PolarHBondContact O-N 3Å; E130-F135 WeakPolarHBondContact O-CB 3.45Å
131H91.2Very high94.6Very high95 Ų9557 Ų5744%0.4427%0.271SS..SBendtrans-71.757.5174.1-58.694000112.3H121 H125 F135 Y136H121-H131 AromaticContact CE1-CD2 3.61Å; H121-H131 AromaticContact CE1-NE2 3.18Å; H121-H131 PolarHBondContact CE1-NE2 2.92Å; H121-H131 AromaticContact NE2-NE2 3.18Å; H121-H131 PolarHBondContact NE2-NE2 3.07Å; H121-H131 VanDerWaalsContact NE2-NE2 3.18Å; H125-H131 AromaticContact CE1-CE1 3.52Å; H125-H131 AromaticContact CE1-NE2 3.36Å; H125-H131 PolarHBondContact CE1-NE2 3.41Å; H125-H131 AromaticContact NE2-CD2 3.79Å; H125-H131 AromaticContact NE2-CE1 3.44Å; H125-H131 PolarHBondContact NE2-CE1 2.98Å; H125-H131 AromaticContact NE2-NE2 2.92Å; H125-H131 PolarHBondContact NE2-NE2 2.91Å; H131-F135 HydrophobicContact CB-CD1 4.48Å; H131-F135 AromaticContact CD2-CD1 3.86Å; H131-F135 AromaticContact CD2-CE1 3.5Å; H131-F135 VanDerWaalsContact CD2-CE1 3.5Å; H131-F135 WeakPolarHBondContact CD2-CE1 3.35Å; H131-F135 AromaticContact CD2-CZ 3.71Å; H131-Y136 HydrophobicContact CB-CE2 4.09Å; H131-Y136 WeakPolarHBondContact O-CE2 3.46Å
132N93.7Very high94.8Very high71 Ų7156.8 Ų56.838%0.3827%0.27SS..SBendtrans-96.3-175.6179.168.927.3000111.1E130 A134 F135 Y136E130-N132 PolarHBondContact O-N 3Å; N132-A134 VanDerWaalsContact C-N 3.29Å; N132-A134 PolarHBondContact O-N 3.1Å; N132-A134 WeakPolarHBondContact OD1-CA 3.17Å; N132-A134 WeakPolarHBondContact OD1-CB 3.4Å; N132-A134 PolarHBondContact OD1-N 3.09Å; N132-F135 WeakPolarHBondContact O-CB 3.21Å; N132-F135 PolarHBondContact O-N 3.45Å; N132-F135 PolarHBondContact OD1-N 2.77Å; N132-Y136 VanDerWaalsContact O-CD2 3.25Å; N132-Y136 WeakPolarHBondContact O-CD2 3.3Å; N132-Y136 PolarHBondContact O-N 3.37Å; N132-Y136 VanDerWaalsContact O-N 3.16Å
133K97.5Very high95Very high160 Ų16057.9 Ų57.970%0.69628%0.275SS*.Hα-helixtrans-56.6-39.4178.8-173.6177.3179.2-179.70113.2Y136 Q137K133-Y136 PolarHBondContact O-N 2.94Å; K133-Q137 HydrophobicContact CG-CG 4.4Å; K133-Q137 WeakPolarHBondContact O-CB 3.32Å; K133-Q137 WeakPolarHBondContact O-CG 3.21Å; K133-Q137 PolarHBondContact O-N 3.2Å
134A97.7Very high95.2Very high36 Ų3663 Ų6330%0.29831%0.308SS..Hα-helixtrans-67.8-40.4-179.800000111.6E128 N132 Q137 L138E128-A134 HydrophobicContact CG-CB 4.43Å; N132-A134 VanDerWaalsContact C-N 3.29Å; N132-A134 PolarHBondContact O-N 3.1Å; N132-A134 WeakPolarHBondContact OD1-CA 3.17Å; N132-A134 WeakPolarHBondContact OD1-CB 3.4Å; N132-A134 PolarHBondContact OD1-N 3.09Å; A134-Q137 PolarHBondContact O-N 2.83Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 3.3Å
135F95.5Very high95.4Very high0 Ų068.7 Ų68.70%034%0.335CS..Hα-helixtrans-55.9-54.4172.5174.6-88.9000111.6H121 A124 H125 E128 E130 H131 N132 Q137 L138 C139H121-F135 AromaticContact CE1-CZ 3.69Å; H121-F135 AromaticContact CG-CZ 3.82Å; H121-F135 AromaticContact ND1-CE1 3.97Å; H121-F135 AromaticContact ND1-CZ 3.61Å; H121-F135 AromaticContact NE2-CZ 3.95Å; A124-F135 HydrophobicContact CB-CD2 3.83Å; A124-F135 HydrophobicContact CB-CE2 3.5Å; A124-F135 VanDerWaalsContact CB-CE2 3.5Å; A124-F135 HydrophobicContact CB-CZ 4.08Å; H125-F135 AromaticContact CD2-CE2 3.34Å; H125-F135 WeakPolarHBondContact CD2-CE2 3.13Å; H125-F135 AromaticContact CD2-CZ 3.85Å; H125-F135 AromaticContact CE1-CE2 3.62Å; H125-F135 AromaticContact CG-CE2 3.69Å; H125-F135 AromaticContact ND1-CE2 3.81Å; H125-F135 AromaticContact NE2-CE2 3.36Å; H125-F135 WeakPolarHBondContact NE2-CE2 3.29Å; H125-F135 AromaticContact NE2-CZ 3.69Å; E128-F135 HydrophobicContact CB-CB 3.88Å; E128-F135 HydrophobicContact CB-CD2 4.04Å; E128-F135 HydrophobicContact CB-CG 4.48Å; E130-F135 WeakPolarHBondContact O-CB 3.45Å; H131-F135 HydrophobicContact CB-CD1 4.48Å; H131-F135 AromaticContact CD2-CD1 3.86Å; H131-F135 AromaticContact CD2-CE1 3.5Å; H131-F135 VanDerWaalsContact CD2-CE1 3.5Å; H131-F135 WeakPolarHBondContact CD2-CE1 3.35Å; H131-F135 AromaticContact CD2-CZ 3.71Å; N132-F135 WeakPolarHBondContact O-CB 3.21Å; N132-F135 PolarHBondContact O-N 3.45Å; N132-F135 PolarHBondContact OD1-N 2.77Å; F135-Q137 VanDerWaalsContact C-N 3.33Å; F135-Q137 PolarHBondContact O-N 2.92Å; F135-L138 WeakPolarHBondContact O-CB 3.3Å; F135-L138 PolarHBondContact O-N 3.41Å; F135-L138 VanDerWaalsContact O-N 3.12Å; F135-C139 VanDerWaalsContact CE1-SG 3.5Å; F135-C139 PolarHBondContact O-N 3.43Å; F135-C139 PolarHBondContact O-SG 3.35Å; F135-C139 VanDerWaalsContact O-SG 3.41Å
136Y96.7Very high95.7Very high68 Ų6868.2 Ų68.227%0.26733%0.332SS..Hα-helixtrans-66.7-34.1-178.6-72.4-68.8000112.6H131 N132 K133 L138 C139 C140 Y146 H147H131-Y136 HydrophobicContact CB-CE2 4.09Å; H131-Y136 WeakPolarHBondContact O-CE2 3.46Å; N132-Y136 VanDerWaalsContact O-CD2 3.25Å; N132-Y136 WeakPolarHBondContact O-CD2 3.3Å; N132-Y136 PolarHBondContact O-N 3.37Å; N132-Y136 VanDerWaalsContact O-N 3.16Å; K133-Y136 PolarHBondContact O-N 2.94Å; Y136-L138 VanDerWaalsContact C-N 3.33Å; Y136-L138 PolarHBondContact O-N 3.31Å; Y136-C139 PolarHBondContact O-N 2.82Å; Y136-C140 WeakPolarHBondContact O-CB 3.21Å; Y136-C140 PolarHBondContact O-N 3.35Å; Y136-C140 PolarHBondContact O-SG 3.21Å; Y136-C140 VanDerWaalsContact O-SG 3.33Å; Y136-Y146 HydrophobicContact CD1-CD1 4.3Å; Y136-Y146 AromaticContact CD1-CE1 3.79Å; Y136-Y146 HydrophobicContact CD1-CE1 3.79Å; Y136-Y146 AromaticContact CE1-CE1 3.97Å; Y136-Y146 HydrophobicContact CE1-CE1 3.97Å; Y136-H147 AromaticContact CD1-CE1 3.43Å; Y136-H147 VanDerWaalsContact CD1-CE1 3.43Å; Y136-H147 WeakPolarHBondContact CD1-CE1 3.2Å; Y136-H147 AromaticContact CG-CE1 3.82Å
137Q98.4Very high95.9Very high113 Ų11372.2 Ų72.253%0.52835%0.35SS..Hα-helixtrans-62.2-40.6171.7-77.8175.5-23.300112.1K133 A134 F135 C140 H141K133-Q137 HydrophobicContact CG-CG 4.4Å; K133-Q137 WeakPolarHBondContact O-CB 3.32Å; K133-Q137 WeakPolarHBondContact O-CG 3.21Å; K133-Q137 PolarHBondContact O-N 3.2Å; A134-Q137 PolarHBondContact O-N 2.83Å; F135-Q137 VanDerWaalsContact C-N 3.33Å; F135-Q137 PolarHBondContact O-N 2.92Å; Q137-C140 PolarHBondContact O-N 2.51Å; Q137-H141 WeakPolarHBondContact O-CB 3.39Å; Q137-H141 PolarHBondContact O-N 3.16Å
138L97.6Very high96.1Very high21 Ų2169.8 Ų69.811%0.1134%0.341CS..Hα-helixtrans-66.9-41.9176.5-17557000111.5L59 A124 K127 E128 A134 F135 Y136 H141 M142L59-L138 HydrophobicContact CD2-CD1 3.95Å; L59-L138 HydrophobicContact CD2-CD2 4.41Å; A124-L138 HydrophobicContact CB-CB 4.46Å; A124-L138 HydrophobicContact CB-CD2 4.1Å; A124-L138 HydrophobicContact CB-CG 4.23Å; K127-L138 HydrophobicContact CB-CD2 3.95Å; K127-L138 HydrophobicContact CD-CD2 4.14Å; K127-L138 HydrophobicContact CG-CD2 4.46Å; E128-L138 HydrophobicContact CG-CD2 4.09Å; A134-L138 WeakPolarHBondContact O-CB 3.34Å; A134-L138 PolarHBondContact O-N 3.3Å; F135-L138 WeakPolarHBondContact O-CB 3.3Å; F135-L138 PolarHBondContact O-N 3.41Å; F135-L138 VanDerWaalsContact O-N 3.12Å; Y136-L138 VanDerWaalsContact C-N 3.33Å; Y136-L138 PolarHBondContact O-N 3.31Å; L138-H141 WeakPolarHBondContact O-CB 3.37Å; L138-H141 PolarHBondContact O-N 3.15Å; L138-M142 HydrophobicContact CG-CE 3.96Å; L138-M142 PolarHBondContact O-N 3.31Å
139C97.5Very high96.4Very high0 Ų067.5 Ų67.50%033%0.33CS..Hα-helixtrans-57.5-50172.4-69.20000111.6V120 A124 F135 Y136 H141 M142 E143 Y146V120-C139 HydrophobicContact CG1-CB 4.03Å; A124-C139 WeakPolarHBondContact CB-SG 3.45Å; F135-C139 VanDerWaalsContact CE1-SG 3.5Å; F135-C139 PolarHBondContact O-N 3.43Å; F135-C139 PolarHBondContact O-SG 3.35Å; F135-C139 VanDerWaalsContact O-SG 3.41Å; Y136-C139 PolarHBondContact O-N 2.82Å; C139-H141 VanDerWaalsContact C-N 3.26Å; C139-H141 PolarHBondContact O-N 2.8Å; C139-M142 PolarHBondContact O-N 2.96Å; C139-M142 VanDerWaalsContact O-N 3.1Å; C139-E143 PolarHBondContact O-N 2.81Å; C139-Y146 HydrophobicContact CB-CD1 3.62Å; C139-Y146 HydrophobicContact CB-CD2 3.62Å; C139-Y146 HydrophobicContact CB-CE1 3.74Å; C139-Y146 HydrophobicContact CB-CE2 3.72Å; C139-Y146 HydrophobicContact CB-CG 3.55Å
140C98.5Very high96.7Very high39 Ų3961.8 Ų61.826%0.26431%0.306SS..Hα-helixtrans-65.2-26.3178.3-69.80000113.6Y136 Q137 E143 P144Y136-C140 WeakPolarHBondContact O-CB 3.21Å; Y136-C140 PolarHBondContact O-N 3.35Å; Y136-C140 PolarHBondContact O-SG 3.21Å; Y136-C140 VanDerWaalsContact O-SG 3.33Å; Q137-C140 PolarHBondContact O-N 2.51Å; C140-E143 WeakPolarHBondContact CA-O 3.49Å; C140-E143 CarbonylContact O-C 3.59Å; C140-P144 WeakPolarHBondContact O-CA 3.36Å
141H98.3Very high97Very high118 Ų11856.8 Ų56.855%0.54628%0.282SS..Hα-helixtrans-68.4-37.1172.4176.158.8000112.2Q137 L138 C139Q137-H141 WeakPolarHBondContact O-CB 3.39Å; Q137-H141 PolarHBondContact O-N 3.16Å; L138-H141 WeakPolarHBondContact O-CB 3.37Å; L138-H141 PolarHBondContact O-N 3.15Å; C139-H141 VanDerWaalsContact C-N 3.26Å; C139-H141 PolarHBondContact O-N 2.8Å
142M98.3Very high97.2Very high4 Ų452.5 Ų52.52%0.0226%0.262CS..Hα-helixtrans-82.3-34.5178.3-63.3-171.8-79.700112.6F58 L59 V120 L123 A124 L138 C139F58-M142 HydrophobicContact CB-CG 3.57Å; F58-M142 HydrophobicContact CB-SD 3.99Å; F58-M142 HydrophobicContact CD1-CB 4.48Å; F58-M142 HydrophobicContact CD1-CG 4.2Å; F58-M142 HydrophobicContact CD2-CB 4.06Å; F58-M142 HydrophobicContact CD2-CG 3.99Å; F58-M142 HydrophobicContact CE2-CB 4.38Å; F58-M142 HydrophobicContact CG-CB 4.12Å; F58-M142 HydrophobicContact CG-CG 3.68Å; F58-M142 WeakPolarHBondContact CZ-O 3.44Å; L59-M142 HydrophobicContact CD1-CE 4.39Å; L59-M142 HydrophobicContact CD1-SD 3.86Å; L59-M142 HydrophobicContact CD2-SD 4.23Å; L59-M142 HydrophobicContact CG-SD 3.87Å; V120-M142 HydrophobicContact CG1-CB 3.88Å; V120-M142 HydrophobicContact CG1-CE 3.97Å; V120-M142 HydrophobicContact CG2-CB 3.9Å; V120-M142 WeakPolarHBondContact O-CE 3.37Å; L123-M142 HydrophobicContact CB-CE 4.08Å; L123-M142 HydrophobicContact CB-SD 4.09Å; A124-M142 HydrophobicContact CB-CE 3.84Å; L138-M142 HydrophobicContact CG-CE 3.96Å; L138-M142 PolarHBondContact O-N 3.31Å; C139-M142 PolarHBondContact O-N 2.96Å; C139-M142 VanDerWaalsContact O-N 3.1Å
143E98.5Very high97.3Very high23 Ų2349.1 Ų49.111%0.10724%0.244CC..  trans-140.498.8179.1175.943.5-109.400110R116 V120 C139 C140 Q145 Y146 L149R116-E143 VanDerWaalsContact CD-OE2 3.31Å; R116-E143 WeakPolarHBondContact CD-OE2 3.33Å; R116-E143 IonicContact NE-OE2 2.75Å; V120-E143 HydrophobicContact CG1-CB 4.22Å; V120-E143 HydrophobicContact CG2-CB 4.07Å; C139-E143 PolarHBondContact O-N 2.81Å; C140-E143 WeakPolarHBondContact CA-O 3.49Å; C140-E143 CarbonylContact O-C 3.59Å; E143-Q145 PolarHBondContact O-N 2.87Å; E143-Q145 WeakPolarHBondContact OE1-CB 3.47Å; E143-Q145 PolarHBondContact OE1-N 2.79Å; E143-Y146 WeakPolarHBondContact O-CB 3.25Å; E143-Y146 PolarHBondContact O-N 3.49Å; E143-L149 HydrophobicContact CG-CD1 3.59Å
144P98.5Very high97.1Very high108 Ų10842.7 Ų42.770%0.70122%0.215SC*.THydrogen-bonded Turntrans-56.5-27.1-175.8-28.436.4000115C140 Y146C140-P144 WeakPolarHBondContact O-CA 3.36Å; P144-Y146 VanDerWaalsContact C-N 3.32Å
145Q98.1Very high97Very high119 Ų11941.6 Ų41.656%0.55621%0.205SC*.THydrogen-bonded Turntrans-93.617.8177.5-62.7-1796600112.9E143 H147 Q148 L149E143-Q145 PolarHBondContact O-N 2.87Å; E143-Q145 WeakPolarHBondContact OE1-CB 3.47Å; E143-Q145 PolarHBondContact OE1-N 2.79Å; Q145-H147 PolarHBondContact O-N 3.5Å; Q145-Q148 WeakPolarHBondContact O-CB 3.45Å; Q145-Q148 PolarHBondContact O-N 2.92Å; Q145-L149 HydrophobicContact CB-CG 4.34Å; Q145-L149 PolarHBondContact O-N 2.93Å
146Y98.2Very high97Very high0 Ų043 Ų430%021%0.21CC..Hα-helixtrans-47.9-51.9-170.7178.5-98.4000114M117 V120 H121 Y136 C139 E143 P144 Q148 L149 E150M117-Y146 HydrophobicContact CG-CD2 4.25Å; M117-Y146 HydrophobicContact CG-CE2 4.04Å; M117-Y146 HydrophobicContact SD-CE2 4.19Å; V120-Y146 HydrophobicContact CG1-CD2 3.8Å; V120-Y146 HydrophobicContact CG1-CE2 4.01Å; H121-Y146 HydrophobicContact CB-CE2 4.21Å; H121-Y146 WeakPolarHBondContact CB-OH 3.36Å; H121-Y146 PolarHBondContact ND1-OH 3.3Å; Y136-Y146 HydrophobicContact CD1-CD1 4.3Å; Y136-Y146 AromaticContact CD1-CE1 3.79Å; Y136-Y146 HydrophobicContact CD1-CE1 3.79Å; Y136-Y146 AromaticContact CE1-CE1 3.97Å; Y136-Y146 HydrophobicContact CE1-CE1 3.97Å; C139-Y146 HydrophobicContact CB-CD1 3.62Å; C139-Y146 HydrophobicContact CB-CD2 3.62Å; C139-Y146 HydrophobicContact CB-CE1 3.74Å; C139-Y146 HydrophobicContact CB-CE2 3.72Å; C139-Y146 HydrophobicContact CB-CG 3.55Å; E143-Y146 WeakPolarHBondContact O-CB 3.25Å; E143-Y146 PolarHBondContact O-N 3.49Å; P144-Y146 VanDerWaalsContact C-N 3.32Å; Y146-Q148 VanDerWaalsContact C-N 3.29Å; Y146-Q148 PolarHBondContact O-N 3.45Å; Y146-L149 PolarHBondContact O-N 2.95Å; Y146-E150 WeakPolarHBondContact O-CB 3.34Å; Y146-E150 PolarHBondContact O-N 3.08Å
147H96.3Very high96.8Very high99 Ų9940 Ų4046%0.45820%0.199SC..Hα-helixtrans-62.6-36-178.4-68.8-58.5000113.2Y136 Q145 F151Y136-H147 AromaticContact CD1-CE1 3.43Å; Y136-H147 VanDerWaalsContact CD1-CE1 3.43Å; Y136-H147 WeakPolarHBondContact CD1-CE1 3.2Å; Y136-H147 AromaticContact CG-CE1 3.82Å; Q145-H147 PolarHBondContact O-N 3.5Å; H147-F151 WeakPolarHBondContact O-CB 3.31Å; H147-F151 PolarHBondContact O-N 3.23Å; H147-F151 VanDerWaalsContact O-N 3.08Å
148Q97.1Very high96.5Very high72 Ų7234.8 Ų34.834%0.33617%0.174SC..Hα-helixtrans-69.4-45.2177-177.761.36000110.4R34 Q145 Y146 E150 F151 D152R34-Q148 VanDerWaalsContact NH2-CG 3.26Å; Q145-Q148 WeakPolarHBondContact O-CB 3.45Å; Q145-Q148 PolarHBondContact O-N 2.92Å; Y146-Q148 VanDerWaalsContact C-N 3.29Å; Y146-Q148 PolarHBondContact O-N 3.45Å; Q148-E150 VanDerWaalsContact C-N 3.31Å; Q148-E150 PolarHBondContact O-N 2.86Å; Q148-F151 PolarHBondContact O-N 2.93Å; Q148-D152 WeakPolarHBondContact CG-OD2 3.48Å; Q148-D152 PolarHBondContact NE2-OD1 3.32Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.09Å; Q148-D152 PolarHBondContact NE2-OD2 2.88Å; Q148-D152 WeakPolarHBondContact O-CB 3.38Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.48Å
149L97.7Very high96.3Very high7 Ų736.8 Ų36.84%0.03718%0.183CC..Hα-helixtrans-65.4-35.1176.7-63.7179.2000112.3Y35 P113 M117 E143 Q145 Y146 T153Y35-L149 HydrophobicContact CE1-CD2 3.89Å; Y35-L149 WeakPolarHBondContact OH-CD2 3.46Å; P113-L149 HydrophobicContact CB-CD1 4.28Å; P113-L149 HydrophobicContact CB-CD2 3.67Å; M117-L149 HydrophobicContact CB-CB 3.84Å; M117-L149 HydrophobicContact CG-CB 3.93Å; E143-L149 HydrophobicContact CG-CD1 3.59Å; Q145-L149 HydrophobicContact CB-CG 4.34Å; Q145-L149 PolarHBondContact O-N 2.93Å; Y146-L149 PolarHBondContact O-N 2.95Å; L149-T153 VanDerWaalsContact O-CB 3.26Å; L149-T153 WeakPolarHBondContact O-CB 3.36Å; L149-T153 PolarHBondContact O-N 3.43Å; L149-T153 PolarHBondContact O-OG1 3.19Å
150E95.3Very high96Very high11 Ų1139.5 Ų39.55%0.05120%0.197CC..Hα-helixtrans-61.2-50.1174.4-167.6-171169.800110.2L81 M117 Y146 Q148 T153 R154L81-E150 HydrophobicContact CD1-CG 3.34Å; M117-E150 HydrophobicContact CG-CB 4.29Å; M117-E150 HydrophobicContact SD-CB 4.32Å; M117-E150 HydrophobicContact SD-CG 4.29Å; Y146-E150 WeakPolarHBondContact O-CB 3.34Å; Y146-E150 PolarHBondContact O-N 3.08Å; Q148-E150 VanDerWaalsContact C-N 3.31Å; Q148-E150 PolarHBondContact O-N 2.86Å; E150-T153 PolarHBondContact O-N 3.1Å; E150-R154 WeakPolarHBondContact O-CG 3.34Å; E150-R154 PolarHBondContact O-N 3.21Å; E150-R154 VanDerWaalsContact O-N 3.1Å; E150-R154 IonicContact OE1-CZ 2.66Å; E150-R154 IonicContact OE1-NE 3.67Å; E150-R154 PolarHBondContact OE1-NE 3.23Å; E150-R154 IonicContact OE1-NH2 3.65Å; E150-R154 PolarHBondContact OE1-NH2 3.49Å
151F95.5Very high95.6Very high29 Ų2939 Ų3913%0.12719%0.194CC..Hα-helixtrans-61.1-47.7176.9174.2-110000112.1L7 Y10 L14 V18 H147 Q148 T153 R154 L155L7-F151 HydrophobicContact CD2-CD2 4.1Å; L7-F151 HydrophobicContact CD2-CE2 3.82Å; Y10-F151 AromaticContact CD1-CD2 3.94Å; Y10-F151 HydrophobicContact CD1-CD2 3.94Å; Y10-F151 HydrophobicContact CD1-CE2 4.14Å; Y10-F151 HydrophobicContact CE1-CB 4.41Å; Y10-F151 AromaticContact CE1-CD2 3.45Å; Y10-F151 HydrophobicContact CE1-CD2 3.45Å; Y10-F151 VanDerWaalsContact CE1-CD2 3.45Å; Y10-F151 HydrophobicContact CE1-CE2 4.13Å; Y10-F151 HydrophobicContact CE1-CG 4.26Å; Y10-F151 HydrophobicContact CE2-CD2 4.25Å; Y10-F151 AromaticContact CZ-CD2 3.62Å; L14-F151 HydrophobicContact CD1-CE1 4.26Å; L14-F151 HydrophobicContact CD1-CE2 3.78Å; L14-F151 HydrophobicContact CD1-CZ 3.62Å; L14-F151 HydrophobicContact CD2-CD2 4.47Å; L14-F151 HydrophobicContact CD2-CE2 3.3Å; L14-F151 HydrophobicContact CD2-CZ 3.45Å; L14-F151 VanDerWaalsContact CD2-CZ 3.45Å; L14-F151 HydrophobicContact CG-CE2 4.04Å; L14-F151 HydrophobicContact CG-CZ 3.81Å; V18-F151 HydrophobicContact CG2-CZ 4.47Å; H147-F151 WeakPolarHBondContact O-CB 3.31Å; H147-F151 PolarHBondContact O-N 3.23Å; H147-F151 VanDerWaalsContact O-N 3.08Å; Q148-F151 PolarHBondContact O-N 2.93Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.1Å; F151-R154 WeakPolarHBondContact O-CB 3.37Å; F151-R154 PolarHBondContact O-N 2.84Å; F151-R154 VanDerWaalsContact O-N 3.08Å; F151-L155 HydrophobicContact CD1-CD1 4.17Å; F151-L155 HydrophobicContact CD1-CG 4.49Å; F151-L155 HydrophobicContact CE1-CD1 3.53Å; F151-L155 HydrophobicContact CE1-CD2 4.45Å; F151-L155 HydrophobicContact CE1-CG 4.03Å; F151-L155 HydrophobicContact CE2-CD2 4.18Å; F151-L155 HydrophobicContact CE2-CG 4.27Å; F151-L155 HydrophobicContact CZ-CD1 3.79Å; F151-L155 HydrophobicContact CZ-CD2 3.86Å; F151-L155 HydrophobicContact CZ-CG 3.89Å; F151-L155 PolarHBondContact O-N 2.94Å
152D96.8Very high95.1Very high5 Ų535.2 Ų35.23%0.02718%0.178CC..Hα-helixtrans-67.7-31.1-178.9-68.4-34.4000112.3R34 Y35 F114 Q148 R154 L155 W156R34-D152 IonicContact CZ-OD2 3.63Å; R34-D152 IonicContact NE-OD2 3.49Å; R34-D152 IonicContact NH1-OD1 2.89Å; R34-D152 PolarHBondContact NH1-OD1 2.94Å; R34-D152 IonicContact NH1-OD2 3.45Å; R34-D152 PolarHBondContact NH1-OD2 2.89Å; R34-D152 IonicContact NH2-OD2 2.89Å; Y35-D152 HydrophobicContact CE2-CB 3.73Å; Y35-D152 PolarHBondContact OH-OD2 3.25Å; F114-D152 HydrophobicContact CE1-CB 3.87Å; F114-D152 HydrophobicContact CZ-CB 4.25Å; Q148-D152 WeakPolarHBondContact CG-OD2 3.48Å; Q148-D152 PolarHBondContact NE2-OD1 3.32Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.09Å; Q148-D152 PolarHBondContact NE2-OD2 2.88Å; Q148-D152 WeakPolarHBondContact O-CB 3.38Å; Q148-D152 VanDerWaalsContact O-CG 3.28Å; Q148-D152 PolarHBondContact O-N 3.48Å; D152-R154 VanDerWaalsContact C-N 3.35Å; D152-L155 WeakPolarHBondContact O-CB 3.29Å; D152-L155 PolarHBondContact O-N 3.4Å; D152-W156 WeakPolarHBondContact O-CB 3.24Å; D152-W156 PolarHBondContact O-N 3.44Å
153T95.6Very high94.3Very high0 Ų037.1 Ų37.10%020%0.199CC..Hα-helixtrans-65.2-39.9171.3-59.90000111L81 F107 F114 M117 L149 E150 F151 L155 W156 L157L81-T153 HydrophobicContact CD2-CG2 4.28Å; F107-T153 HydrophobicContact CE1-CG2 3.63Å; F107-T153 HydrophobicContact CZ-CG2 3.83Å; F114-T153 HydrophobicContact CB-CG2 4.36Å; F114-T153 WeakPolarHBondContact CD1-OG1 3.25Å; F114-T153 WeakPolarHBondContact CG-OG1 3.33Å; M117-T153 HydrophobicContact CE-CG2 3.5Å; M117-T153 VanDerWaalsContact CE-CG2 3.5Å; M117-T153 VanDerWaalsContact CE-OG1 3.29Å; M117-T153 WeakPolarHBondContact CE-OG1 3.24Å; L149-T153 VanDerWaalsContact O-CB 3.26Å; L149-T153 WeakPolarHBondContact O-CB 3.36Å; L149-T153 PolarHBondContact O-N 3.43Å; L149-T153 PolarHBondContact O-OG1 3.19Å; E150-T153 PolarHBondContact O-N 3.1Å; F151-T153 VanDerWaalsContact C-N 3.3Å; F151-T153 PolarHBondContact O-N 3.1Å; T153-L155 VanDerWaalsContact C-N 3.34Å; T153-W156 HydrophobicContact CG2-CE3 4.5Å; T153-W156 PolarHBondContact O-N 2.94Å; T153-L157 HydrophobicContact CG2-CD1 4.24Å; T153-L157 WeakPolarHBondContact O-CG 3.22Å; T153-L157 PolarHBondContact O-N 3.14Å
154R93.9Very high92.9Very high24 Ų2442.6 Ų42.69%0.09122%0.224CC..Hα-helixtrans-65.5-36.6174.6-67.2166.9-179.1-81.80.3111.8Y6 L7 Y10 L81 E150 F151 D152 T158Y6-R154 WeakPolarHBondContact O-CD 3.36Å; Y6-R154 WeakPolarHBondContact O-CG 3.41Å; Y6-R154 PolarHBondContact O-NH1 3.47Å; Y6-R154 VanDerWaalsContact O-NH1 3.08Å; L7-R154 HydrophobicContact CD2-CB 3.53Å; L7-R154 HydrophobicContact CG-CB 4.45Å; Y10-R154 WeakPolarHBondContact OH-CD 3.33Å; L81-R154 HydrophobicContact CD1-CG 3.97Å; L81-R154 HydrophobicContact CD2-CG 3.74Å; L81-R154 HydrophobicContact CG-CG 4.2Å; E150-R154 WeakPolarHBondContact O-CG 3.34Å; E150-R154 PolarHBondContact O-N 3.21Å; E150-R154 VanDerWaalsContact O-N 3.1Å; E150-R154 IonicContact OE1-CZ 2.66Å; E150-R154 IonicContact OE1-NE 3.67Å; E150-R154 PolarHBondContact OE1-NE 3.23Å; E150-R154 IonicContact OE1-NH2 3.65Å; E150-R154 PolarHBondContact OE1-NH2 3.49Å; F151-R154 WeakPolarHBondContact O-CB 3.37Å; F151-R154 PolarHBondContact O-N 2.84Å; F151-R154 VanDerWaalsContact O-N 3.08Å; D152-R154 VanDerWaalsContact C-N 3.35Å; R154-T158 WeakPolarHBondContact O-CB 3.41Å; R154-T158 PolarHBondContact O-N 2.75Å; R154-T158 PolarHBondContact O-OG1 3.32Å
155L95Very high90.8Very high14 Ų1444 Ų447%0.07323%0.226CC..Hα-helixtrans-62.2-44.8170.6-67.6-176.9000111.4L7 V18 L27 L31 F151 D152 T153 T158 Q159L7-L155 HydrophobicContact CD1-CD2 3.69Å; L7-L155 HydrophobicContact CD2-CD2 4.03Å; L7-L155 HydrophobicContact CG-CD2 4.49Å; V18-L155 HydrophobicContact CB-CD2 4.42Å; V18-L155 HydrophobicContact CG1-CD2 3.93Å; V18-L155 HydrophobicContact CG2-CD2 3.54Å; L27-L155 HydrophobicContact CD1-CB 4.4Å; L27-L155 HydrophobicContact CD1-CD2 4.47Å; L31-L155 HydrophobicContact CD1-CB 4.43Å; L31-L155 HydrophobicContact CD2-CB 4.17Å; F151-L155 HydrophobicContact CD1-CD1 4.17Å; F151-L155 HydrophobicContact CD1-CG 4.49Å; F151-L155 HydrophobicContact CE1-CD1 3.53Å; F151-L155 HydrophobicContact CE1-CD2 4.45Å; F151-L155 HydrophobicContact CE1-CG 4.03Å; F151-L155 HydrophobicContact CE2-CD2 4.18Å; F151-L155 HydrophobicContact CE2-CG 4.27Å; F151-L155 HydrophobicContact CZ-CD1 3.79Å; F151-L155 HydrophobicContact CZ-CD2 3.86Å; F151-L155 HydrophobicContact CZ-CG 3.89Å; F151-L155 PolarHBondContact O-N 2.94Å; D152-L155 WeakPolarHBondContact O-CB 3.29Å; D152-L155 PolarHBondContact O-N 3.4Å; T153-L155 VanDerWaalsContact C-N 3.34Å; L155-T158 WeakPolarHBondContact O-CB 3.29Å; L155-T158 PolarHBondContact O-N 3.5Å; L155-Q159 PolarHBondContact O-N 3.2Å
156W94.9Very high88.2Confident30 Ų3046.1 Ų46.111%0.11423%0.233CC..Hα-helixtrans-63.6-44178.5175.776.1000112.9L31 V106 F107 A110 F114 D152 T153 T158 Q159 L160L31-W156 HydrophobicContact CD1-CB 4.17Å; L31-W156 HydrophobicContact CD2-CB 4.49Å; V106-W156 HydrophobicContact CG2-CH2 3.89Å; V106-W156 HydrophobicContact CG2-CZ3 4.21Å; V106-W156 WeakPolarHBondContact O-CH2 3.42Å; F107-W156 HydrophobicContact CD1-CZ3 4.17Å; F107-W156 HydrophobicContact CE1-CZ3 4.14Å; A110-W156 HydrophobicContact CB-CH2 3.56Å; A110-W156 HydrophobicContact CB-CZ2 3.86Å; A110-W156 HydrophobicContact CB-CZ3 4.12Å; F114-W156 HydrophobicContact CD2-CB 4.04Å; F114-W156 AromaticContact CD2-CD2 3.79Å; F114-W156 HydrophobicContact CD2-CD2 3.79Å; F114-W156 AromaticContact CD2-CE3 4Å; F114-W156 HydrophobicContact CD2-CE3 4Å; F114-W156 AromaticContact CD2-CG 3.82Å; F114-W156 HydrophobicContact CD2-CG 3.82Å; F114-W156 HydrophobicContact CE2-CB 3.43Å; F114-W156 VanDerWaalsContact CE2-CB 3.43Å; F114-W156 AromaticContact CE2-CD1 3.84Å; F114-W156 AromaticContact CE2-CD2 3.94Å; F114-W156 HydrophobicContact CE2-CD2 3.94Å; F114-W156 AromaticContact CE2-CG 3.45Å; F114-W156 HydrophobicContact CE2-CG 3.45Å; F114-W156 VanDerWaalsContact CE2-CG 3.45Å; F114-W156 HydrophobicContact CZ-CB 4.07Å; F114-W156 HydrophobicContact CZ-CG 4.49Å; D152-W156 WeakPolarHBondContact O-CB 3.24Å; D152-W156 PolarHBondContact O-N 3.44Å; T153-W156 HydrophobicContact CG2-CE3 4.5Å; T153-W156 PolarHBondContact O-N 2.94Å; W156-T158 VanDerWaalsContact C-N 3.27Å; W156-T158 PolarHBondContact O-N 3.34Å; W156-Q159 WeakPolarHBondContact O-CB 3.42Å; W156-Q159 PolarHBondContact O-N 2.9Å; W156-Q159 VanDerWaalsContact O-N 3.14Å; W156-L160 HydrophobicContact CD2-CD1 3.98Å; W156-L160 HydrophobicContact CD2-CG 4.38Å; W156-L160 HydrophobicContact CE3-CD1 4.08Å; W156-L160 HydrophobicContact CH2-CD1 3.65Å; W156-L160 HydrophobicContact CZ2-CD1 3.54Å; W156-L160 HydrophobicContact CZ2-CG 4.35Å; W156-L160 HydrophobicContact CZ3-CD1 3.92Å; W156-L160 WeakPolarHBondContact O-CG 3.34Å; W156-L160 PolarHBondContact O-N 3.21Å
157L92.4Very high85.3Confident5 Ų556.5 Ų56.53%0.02629%0.287CS..Hα-helixtrans-60.7-37.5172.8-70.1166.2000112.1Y6 V76 L81 V106 T153 L160 S161Y6-L157 HydrophobicContact CD1-CB 4.21Å; Y6-L157 HydrophobicContact CD1-CD1 4.19Å; Y6-L157 HydrophobicContact CD2-CB 3.74Å; Y6-L157 HydrophobicContact CE1-CB 4.31Å; Y6-L157 HydrophobicContact CE1-CD1 4.42Å; Y6-L157 HydrophobicContact CE2-CB 3.86Å; Y6-L157 WeakPolarHBondContact CE2-O 3.43Å; Y6-L157 HydrophobicContact CG-CB 3.92Å; V76-L157 HydrophobicContact CG1-CD1 3.73Å; V76-L157 HydrophobicContact CG2-CD2 4.42Å; L81-L157 HydrophobicContact CD2-CD1 3.36Å; V106-L157 HydrophobicContact CG1-CD2 4.17Å; V106-L157 HydrophobicContact CG2-CD2 4.5Å; T153-L157 HydrophobicContact CG2-CD1 4.24Å; T153-L157 WeakPolarHBondContact O-CG 3.22Å; T153-L157 PolarHBondContact O-N 3.14Å; L157-L160 PolarHBondContact O-N 3.25Å; L157-S161 PolarHBondContact O-N 2.74Å; L157-S161 PolarHBondContact O-OG 3.47Å
158T92.8Very high84.7Confident2 Ų254.4 Ų54.41%0.01228%0.278CS..Hα-helixtrans-62.4-47173.4-57.20000110.7L4 I22 R154 L155 W156 L160 S161 L162L4-T158 HydrophobicContact CD2-CG2 4.03Å; I22-T158 HydrophobicContact CD1-CG2 4.13Å; R154-T158 WeakPolarHBondContact O-CB 3.41Å; R154-T158 PolarHBondContact O-N 2.75Å; R154-T158 PolarHBondContact O-OG1 3.32Å; L155-T158 WeakPolarHBondContact O-CB 3.29Å; L155-T158 PolarHBondContact O-N 3.5Å; W156-T158 VanDerWaalsContact C-N 3.27Å; W156-T158 PolarHBondContact O-N 3.34Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 2.92Å; T158-S161 WeakPolarHBondContact CA-OG 3.33Å; T158-S161 PolarHBondContact O-N 3.48Å; T158-S161 PolarHBondContact O-OG 3.29Å; T158-L162 HydrophobicContact CG2-CD1 4.4Å; T158-L162 WeakPolarHBondContact O-CG 3.21Å; T158-L162 PolarHBondContact O-N 2.97Å
159Q93.4Very high84.1Confident63 Ų6353.5 Ų53.529%0.29428%0.275SS..Hα-helixtrans-59.5-41.5175.7178.16033.800112.2L27 L31 L155 W156 L162 G163L27-Q159 HydrophobicContact CD2-CB 4.11Å; L27-Q159 HydrophobicContact CG-CB 4.35Å; L31-Q159 HydrophobicContact CD1-CB 3.91Å; L31-Q159 HydrophobicContact CD1-CG 4.39Å; L155-Q159 PolarHBondContact O-N 3.2Å; W156-Q159 WeakPolarHBondContact O-CB 3.42Å; W156-Q159 PolarHBondContact O-N 2.9Å; W156-Q159 VanDerWaalsContact O-N 3.14Å; Q159-L162 PolarHBondContact O-N 3.41Å; Q159-G163 PolarHBondContact O-N 3.3Å
160L91Very high83.3Confident58 Ų5856.1 Ų56.130%0.30429%0.288SS..Hα-helixtrans-63.2-43175.2-69.1-178.6000112V106 W156 L157 T158 L162 G163 Q164V106-L160 HydrophobicContact CG2-CD1 3.36Å; W156-L160 HydrophobicContact CD2-CD1 3.98Å; W156-L160 HydrophobicContact CD2-CG 4.38Å; W156-L160 HydrophobicContact CE3-CD1 4.08Å; W156-L160 HydrophobicContact CH2-CD1 3.65Å; W156-L160 HydrophobicContact CZ2-CD1 3.54Å; W156-L160 HydrophobicContact CZ2-CG 4.35Å; W156-L160 HydrophobicContact CZ3-CD1 3.92Å; W156-L160 WeakPolarHBondContact O-CG 3.34Å; W156-L160 PolarHBondContact O-N 3.21Å; L157-L160 PolarHBondContact O-N 3.25Å; T158-L160 VanDerWaalsContact C-N 3.33Å; T158-L160 PolarHBondContact O-N 2.92Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.85Å; L160-G163 PolarHBondContact O-N 3.15Å; L160-G163 VanDerWaalsContact O-N 3.15Å; L160-Q164 PolarHBondContact O-N 2.81Å
161S89Confident82.6Confident27 Ų2758.7 Ų58.719%0.18930%0.302CS..Hα-helixtrans-64.1-36.9177.458.80000112.9L157 T158 G163 Q164 D165L157-S161 PolarHBondContact O-N 2.74Å; L157-S161 PolarHBondContact O-OG 3.47Å; T158-S161 WeakPolarHBondContact CA-OG 3.33Å; T158-S161 PolarHBondContact O-N 3.48Å; T158-S161 PolarHBondContact O-OG 3.29Å; S161-G163 PolarHBondContact O-N 3.33Å; S161-Q164 PolarHBondContact O-N 3.1Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; S161-D165 PolarHBondContact O-N 3.34Å
162L89.7Confident81.8Confident39 Ų3960.6 Ų60.620%0.20431%0.313CS..Hα-helixtrans-64.8-24.5175.8-69.2169.5000113I22 L27 T158 Q159 L160I22-L162 HydrophobicContact CB-CD1 4.32Å; I22-L162 HydrophobicContact CD1-CD1 3.91Å; I22-L162 HydrophobicContact CG1-CD1 3.72Å; I22-L162 HydrophobicContact CG2-CD1 3.7Å; I22-L162 HydrophobicContact CG2-CD2 4.23Å; L27-L162 HydrophobicContact CD2-CD1 4.48Å; T158-L162 HydrophobicContact CG2-CD1 4.4Å; T158-L162 WeakPolarHBondContact O-CG 3.21Å; T158-L162 PolarHBondContact O-N 2.97Å; Q159-L162 PolarHBondContact O-N 3.41Å; L160-L162 VanDerWaalsContact C-N 3.33Å; L160-L162 PolarHBondContact O-N 2.85Å
163G80.5Confident80.8Confident45 Ų4564.3 Ų64.346%0.46433%0.332SS..Hα-helixtrans-80.3-28.317300000113.4Q159 L160 S161Q159-G163 PolarHBondContact O-N 3.3Å; L160-G163 PolarHBondContact O-N 3.15Å; L160-G163 VanDerWaalsContact O-N 3.15Å; S161-G163 PolarHBondContact O-N 3.33Å
164Q69.4Low79.8Confident138 Ų13868.9 Ų68.965%0.64536%0.356SS*.Hα-helixtrans-77.2-31.9179.5-68.7176.97.600112.6L160 S161 K166L160-Q164 PolarHBondContact O-N 2.81Å; S161-Q164 PolarHBondContact O-N 3.1Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; Q164-K166 PolarHBondContact O-N 3.05Å
165D53.9Low78.7Confident137 Ų13772.3 Ų72.373%0.73338%0.376SS*.THydrogen-bonded Turntrans-72.6-1.8175.9-69.9-22.5000113.7S161 I167S161-D165 PolarHBondContact O-N 3.34Å; D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 3.46Å
166K43Very low77.3Confident163 Ų16377.2 Ų77.271%0.70940%0.401SS*.THydrogen-bonded Turntrans-89.718.1179.3-69.8-171.8179.3-174.30114.2Q164Q164-K166 PolarHBondContact O-N 3.05Å
167I37.8Very low75.7Confident219 Ų21981.5 Ų81.5100%1.12343%0.428SS*.  trans-100.60175-56.1173.7000109.8D165D165-I167 VanDerWaalsContact C-N 3.32Å; D165-I167 PolarHBondContact O-N 3.46Å

Retrieved 167 of 167 residues in 185.7 ms (Link to these results)

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