A0A087XDV6_POEFO Loading...

Ribosomal protein S6 kinase polypeptide 1

AlphaFold DB , UniProt , Accession A0A087XDV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,119 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
1M28.8Very low46.4Very low248 Ų248101.4 Ų101.4100%1.22250%0.504SS*.  0130.80-67.4-179.6-177.800107.3
2I30.3Very low49.6Very low103 Ų10395.8 Ų95.853%0.52847%0.473SS..  trans-84.1139.5179-59.2173.9000109.1
3S29.2Very low52.2Low74 Ų7489.8 Ų89.852%0.51744%0.443SS..  trans-66.4144.9-177.8-171.80000111.6R5S3-R5 PolarHBondContact O-N 3.17Å
4Q32.9Very low54.8Low150 Ų15084.4 Ų84.470%0.70142%0.415SS*.THydrogen-bonded Turntrans-747.5-176-64.4-161.56.600114.9R7Q4-R7 VanDerWaalsContact CD-NH2 3.34Å; Q4-R7 PolarHBondContact O-NE 3.07Å; Q4-R7 VanDerWaalsContact O-NE 3.17Å; Q4-R7 VanDerWaalsContact OE1-NH2 3.13Å
5R33.4Very low56.8Low225 Ų22581.3 Ų81.385%0.84940%0.403SS*.THydrogen-bonded Turntrans-90.1-33.2-174-68.7-175.4176.8166.50.4113.7S3 R7S3-R5 PolarHBondContact O-N 3.17Å; R5-R7 PolarHBondContact O-N 3.21Å
6D44Very low58.9Low65 Ų6576.2 Ų76.235%0.34838%0.377SS..  trans-88.927-165.4-43-55.1000113.5G8 E9D6-G8 PolarHBondContact O-N 3.15Å; D6-E9 PolarHBondContact O-N 2.83Å
7R47.8Very low60.5Low109 Ų10974.4 Ų74.441%0.41137%0.371SS..THydrogen-bonded Turntrans-63.5-20.5-163.7-70.8-177.5-177.3-100.19.8115.4Q4 R5 Y115Q4-R7 VanDerWaalsContact CD-NH2 3.34Å; Q4-R7 PolarHBondContact O-NE 3.07Å; Q4-R7 VanDerWaalsContact O-NE 3.17Å; Q4-R7 VanDerWaalsContact OE1-NH2 3.13Å; R5-R7 PolarHBondContact O-N 3.21Å; R7-Y115 PolarHBondContact O-OH 3.19Å; R7-Y115 VanDerWaalsContact O-OH 3.12Å
8G49.4Very low61.5Low47 Ų4773.9 Ų73.949%0.48537%0.371SS..THydrogen-bonded Turntrans-106.2-3.9176.200000115.1D6 R38D6-G8 PolarHBondContact O-N 3.15Å; G8-R38 PolarHBondContact O-NH1 3.42Å
9E64.6Low62.8Low66 Ų6673.2 Ų73.231%0.30837%0.371SS..THydrogen-bonded Turntrans-98.3-20.1-163.1-52.2-158.6160.300113.8D6 R38 K39D6-E9 PolarHBondContact O-N 2.83Å; E9-R38 WeakPolarHBondContact O-CB 3.41Å; E9-R38 WeakPolarHBondContact O-CG 3.18Å; E9-R38 PolarHBondContact O-N 3.35Å; E9-K39 VanDerWaalsContact CD-CE 3.47Å; E9-K39 VanDerWaalsContact OE1-CE 3.28Å; E9-K39 WeakPolarHBondContact OE1-CE 3.26Å; E9-K39 IonicContact OE1-NZ 2.82Å; E9-K39 PolarHBondContact OE1-NZ 2.93Å; E9-K39 WeakPolarHBondContact OE2-CE 3.45Å; E9-K39 IonicContact OE2-NZ 2.67Å; E9-K39 PolarHBondContact OE2-NZ 2.66Å
10L72.1Confident63.9Low18 Ų1872.8 Ų72.89%0.09437%0.373CS..EExtended strand (participates in β ladder)trans-95.7124.8174.8-64.8163.9000110.6R12 L35 I36L10-R12 PolarHBondContact O-NH1 3.08Å; L10-L35 HydrophobicContact CD1-CD2 4.17Å; L10-L35 HydrophobicContact CD2-CB 4.39Å; L10-I36 CarbonylContact C-O 3.59Å; L10-I36 WeakPolarHBondContact CA-O 3.5Å
11A78.2Confident64.8Low10 Ų1078.1 Ų78.18%0.08339%0.389CS..EExtended strand (participates in β ladder)trans-73.2151.3157.900000109.5F13 L35 I36 R38A11-F13 HydrophobicContact CB-CE2 3.74Å; A11-F13 HydrophobicContact CB-CZ 4.04Å; A11-L35 WeakPolarHBondContact O-CA 3.46Å; A11-I36 PolarHBondContact N-O 3.03Å; A11-I36 PolarHBondContact O-N 3.48Å; A11-R38 HydrophobicContact CB-CG 4.32Å
12R84.9Confident67.5Low35 Ų3569.4 Ų69.413%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-132.3136.4-178.5-71.1172-167.969.29.7109.9L10 Y14 R34 L35 A109 Y115L10-R12 PolarHBondContact O-NH1 3.08Å; R12-Y14 HydrophobicContact CB-CE2 4.26Å; R12-R34 WeakPolarHBondContact CA-O 3.18Å; R12-L35 HydrophobicContact CG-CD2 4.27Å; R12-L35 HydrophobicContact CG-CG 4.29Å; R12-A109 HydrophobicContact CB-CB 4.21Å; R12-Y115 VanDerWaalsContact CZ-CD2 3.48Å; R12-Y115 VanDerWaalsContact NH1-CE2 3.26Å
13F82.8Confident69.8Low18 Ų1873.8 Ų73.88%0.07936%0.363CS..EExtended strand (participates in β ladder)trans-135.2139.1176.5-55.7-77.4000108.4A11 R34 I36 V384 I385 V387A11-F13 HydrophobicContact CB-CE2 3.74Å; A11-F13 HydrophobicContact CB-CZ 4.04Å; F13-R34 HydrophobicContact CB-CB 4.42Å; F13-R34 PolarHBondContact N-O 2.85Å; F13-R34 PolarHBondContact O-N 3.07Å; F13-I36 HydrophobicContact CD2-CD1 4.05Å; F13-I36 HydrophobicContact CD2-CG1 4.42Å; F13-I36 HydrophobicContact CE2-CD1 3.93Å; F13-I36 HydrophobicContact CE2-CG1 4.4Å; F13-V384 HydrophobicContact CE1-CG1 4.43Å; F13-V384 HydrophobicContact CE2-CB 4.48Å; F13-V384 HydrophobicContact CE2-CG1 3.79Å; F13-V384 HydrophobicContact CZ-CB 4.15Å; F13-V384 HydrophobicContact CZ-CG1 3.53Å; F13-I385 WeakPolarHBondContact CE1-O 3.17Å; F13-V387 HydrophobicContact CB-CB 4.39Å; F13-V387 HydrophobicContact CB-CG2 3.96Å; F13-V387 HydrophobicContact CD1-CG2 4.25Å; F13-V387 HydrophobicContact CD2-CG2 3.41Å; F13-V387 VanDerWaalsContact CD2-CG2 3.41Å; F13-V387 HydrophobicContact CE2-CG2 3.96Å; F13-V387 HydrophobicContact CG-CB 4.37Å; F13-V387 HydrophobicContact CG-CG2 3.57Å
14Y88.2Confident72.2Confident14 Ų1477.8 Ų77.86%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-125.1132-180-60.3-78.5000109.5R12 T32 A33 L105 A109 F124R12-Y14 HydrophobicContact CB-CE2 4.26Å; Y14-T32 WeakPolarHBondContact CA-O 3.16Å; Y14-A33 HydrophobicContact CD1-CB 3.58Å; Y14-A33 HydrophobicContact CE1-CB 3.46Å; Y14-A33 VanDerWaalsContact CE1-CB 3.46Å; Y14-L105 HydrophobicContact CD1-CB 4.41Å; Y14-L105 HydrophobicContact CD2-CB 3.9Å; Y14-L105 WeakPolarHBondContact CD2-O 3.45Å; Y14-L105 WeakPolarHBondContact CE2-O 3.45Å; Y14-L105 HydrophobicContact CG-CB 3.73Å; Y14-A109 HydrophobicContact CD2-CB 3.93Å; Y14-A109 HydrophobicContact CE2-CB 3.71Å; Y14-F124 AromaticContact CD1-CE2 3.97Å; Y14-F124 HydrophobicContact CD1-CE2 3.97Å; Y14-F124 AromaticContact CD1-CZ 3.6Å; Y14-F124 HydrophobicContact CD1-CZ 3.6Å; Y14-F124 HydrophobicContact CE1-CD2 4.37Å; Y14-F124 AromaticContact CE1-CE2 3.47Å; Y14-F124 HydrophobicContact CE1-CE2 3.47Å; Y14-F124 VanDerWaalsContact CE1-CE2 3.47Å; Y14-F124 AromaticContact CE1-CZ 3.58Å; Y14-F124 HydrophobicContact CE1-CZ 3.58Å
15T85.9Confident74.5Confident37 Ų3772 Ų7223%0.22735%0.352CS..EExtended strand (participates in β ladder)trans-121.1147.8168.557.30000110.5V31 T32 E102T15-V31 WeakPolarHBondContact O-CA 3.18Å; T15-T32 PolarHBondContact N-O 2.93Å; T15-T32 PolarHBondContact O-N 3.26Å; T15-E102 VanDerWaalsContact CA-OE1 3.24Å; T15-E102 WeakPolarHBondContact CA-OE1 3.33Å
16V89.4Confident77Confident0 Ų064.4 Ų64.40%032%0.324CS..EExtended strand (participates in β ladder)trans-124.5112.1176.9-174.90000108.3Y29 K30 V31 F56 R98 E102 L105V16-Y29 HydrophobicContact CG1-CD1 4.2Å; V16-Y29 HydrophobicContact CG1-CG 4.21Å; V16-K30 WeakPolarHBondContact CA-O 3.33Å; V16-V31 HydrophobicContact CG2-CG1 4.31Å; V16-V31 HydrophobicContact CG2-CG2 4.44Å; V16-F56 HydrophobicContact CG1-CE1 4.41Å; V16-F56 HydrophobicContact CG1-CZ 3.98Å; V16-F56 HydrophobicContact CG2-CE1 4.11Å; V16-F56 HydrophobicContact CG2-CZ 4.45Å; V16-R98 HydrophobicContact CB-CG 4.23Å; V16-R98 HydrophobicContact CG1-CG 3.92Å; V16-R98 WeakPolarHBondContact O-CD 3.5Å; V16-R98 WeakPolarHBondContact O-CG 3.44Å; V16-R98 PolarHBondContact O-NH1 2.86Å; V16-E102 HydrophobicContact CB-CB 4.12Å; V16-E102 HydrophobicContact CG2-CB 3.9Å; V16-E102 HydrophobicContact CG2-CG 4.4Å; V16-E102 PolarHBondContact N-OE1 2.84Å; V16-L105 HydrophobicContact CG2-CD1 3.96Å
17T86.3Confident79Confident45 Ų4562 Ų6228%0.27631%0.311SS..EExtended strand (participates in β ladder)trans-135.9-171.4-171.473.10000111.6K30T17-K30 PolarHBondContact N-O 3.12Å; T17-K30 PolarHBondContact O-N 2.95Å
18D79.3Confident81.1Confident67 Ų6757.4 Ų57.436%0.35830%0.295SS..EExtended strand (participates in β ladder)trans46.961.2168.9-47.818.9000113.5T20 K30 W50D18-T20 PolarHBondContact O-N 3.29Å; D18-K30 HydrophobicContact CB-CB 3.88Å; D18-K30 HydrophobicContact CB-CD 3.98Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 IonicContact OD1-NZ 2.68Å; D18-K30 WeakPolarHBondContact OD2-CD 3.47Å; D18-K30 WeakPolarHBondContact OD2-CE 3.39Å; D18-K30 IonicContact OD2-NZ 3.6Å; D18-K30 PolarHBondContact OD2-NZ 3.01Å; D18-W50 HydrophobicContact CB-CH2 3.81Å; D18-W50 HydrophobicContact CB-CZ3 4.17Å; D18-W50 WeakPolarHBondContact O-CZ3 3.34Å
19P86.4Confident83.2Confident59 Ų5955.2 Ų55.238%0.38327%0.272SS..EExtended strand (participates in β ladder)trans-72.788.8-176.830.6-35.5000112.1T27 V28 Y29 I94P19-T27 HydrophobicContact CB-CG2 4.17Å; P19-V28 CarbonylContact C-O 3.57Å; P19-V28 WeakPolarHBondContact CA-O 3.36Å; P19-Y29 HydrophobicContact CB-CD1 3.95Å; P19-Y29 HydrophobicContact CB-CE1 3.95Å; P19-I94 HydrophobicContact CB-CG2 3.47Å; P19-I94 VanDerWaalsContact CB-CG2 3.47Å; P19-I94 HydrophobicContact CG-CG2 3.95Å
20T83.7Confident84.5Confident66 Ų6654.6 Ų54.641%0.40527%0.268SS..EExtended strand (participates in β ladder)trans-95.9146.7-176.462.40000113.4D18 H22 T27 V28 W50D18-T20 PolarHBondContact O-N 3.29Å; T20-H22 PolarHBondContact O-N 3.11Å; T20-T27 WeakPolarHBondContact O-CA 3.39Å; T20-V28 PolarHBondContact N-O 2.88Å; T20-V28 PolarHBondContact O-N 3.22Å; T20-V28 VanDerWaalsContact OG1-CG2 3.22Å; T20-V28 WeakPolarHBondContact OG1-CG2 3.38Å; T20-W50 HydrophobicContact CG2-CH2 4.39Å; T20-W50 HydrophobicContact CG2-CZ3 4.23Å
21R84.2Confident85.5Confident185 Ų18553.7 Ų53.770%0.69826%0.264SS*.EExtended strand (participates in β ladder)trans-87.8103.5178.6-169.5-179.4-173.3-1562.4110.3F89R21-F89 HydrophobicContact CG-CE1 4.33Å
22H84.5Confident85.9Confident64 Ų6453.6 Ų53.630%0.29626%0.262SS..EExtended strand (participates in β ladder)trans-66.7140.4177.6-166.4-43.6000110.8T20 K24 G25 Y26 V28T20-H22 PolarHBondContact O-N 3.11Å; H22-K24 PolarHBondContact ND1-N 2.84Å; H22-K24 PolarHBondContact O-N 3.29Å; H22-G25 PolarHBondContact O-N 2.84Å; H22-Y26 HydrophobicContact CB-CD2 3.76Å; H22-Y26 HydrophobicContact CB-CE2 3.49Å; H22-Y26 VanDerWaalsContact CB-CE2 3.49Å; H22-Y26 WeakPolarHBondContact CB-O 3.35Å; H22-Y26 AromaticContact CD2-CE2 3.32Å; H22-Y26 WeakPolarHBondContact CD2-CE2 3.11Å; H22-Y26 AromaticContact CD2-CZ 3.55Å; H22-Y26 PolarHBondContact CD2-OH 3.4Å; H22-Y26 AromaticContact CG-CE2 3.51Å; H22-Y26 AromaticContact CG-CZ 3.74Å; H22-Y26 PolarHBondContact N-O 3Å; H22-Y26 AromaticContact NE2-CZ 3.89Å; H22-Y26 PolarHBondContact NE2-OH 2.85Å; H22-Y26 VanDerWaalsContact NE2-OH 3.08Å; H22-V28 HydrophobicContact CB-CG1 4.44Å
23Q78.8Confident86.1Confident195 Ų19552.1 Ų52.191%0.91126%0.257SS*.THydrogen-bonded Turntrans-45.1-21.7174.4-62171.6-6.500115.5G25Q23-G25 VanDerWaalsContact C-N 3.35Å
24K79Confident86.2Confident159 Ų15952.6 Ų52.669%0.69126%0.259SS*.THydrogen-bonded Turntrans-91.816.1-179.9-67.5176.4179.7172.40113.6H22 Y26H22-K24 PolarHBondContact ND1-N 2.84Å; H22-K24 PolarHBondContact O-N 3.29Å; K24-Y26 HydrophobicContact CB-CD1 4.06Å; K24-Y26 HydrophobicContact CB-CE1 3.41Å; K24-Y26 VanDerWaalsContact CB-CE1 3.41Å; K24-Y26 HydrophobicContact CD-CE1 4.43Å; K24-Y26 WeakPolarHBondContact O-CD1 3.46Å
25G82.8Confident86.1Confident29 Ų2952.6 Ų52.630%0.29926%0.26SS..THydrogen-bonded Turntrans80.329.2169.800000115.8H22 Q23 R88 F89H22-G25 PolarHBondContact O-N 2.84Å; Q23-G25 VanDerWaalsContact C-N 3.35Å; G25-R88 PolarHBondContact O-NH2 2.98Å; G25-F89 WeakPolarHBondContact O-CZ 3.13Å
26Y84.4Confident85.9Confident65 Ų6551 Ų5126%0.25525%0.25SC..EExtended strand (participates in β ladder)trans-141.6153.417654.3-105.6000112.2H22 K24 V28 R52H22-Y26 HydrophobicContact CB-CD2 3.76Å; H22-Y26 HydrophobicContact CB-CE2 3.49Å; H22-Y26 VanDerWaalsContact CB-CE2 3.49Å; H22-Y26 WeakPolarHBondContact CB-O 3.35Å; H22-Y26 AromaticContact CD2-CE2 3.32Å; H22-Y26 WeakPolarHBondContact CD2-CE2 3.11Å; H22-Y26 AromaticContact CD2-CZ 3.55Å; H22-Y26 PolarHBondContact CD2-OH 3.4Å; H22-Y26 AromaticContact CG-CE2 3.51Å; H22-Y26 AromaticContact CG-CZ 3.74Å; H22-Y26 PolarHBondContact N-O 3Å; H22-Y26 AromaticContact NE2-CZ 3.89Å; H22-Y26 PolarHBondContact NE2-OH 2.85Å; H22-Y26 VanDerWaalsContact NE2-OH 3.08Å; K24-Y26 HydrophobicContact CB-CD1 4.06Å; K24-Y26 HydrophobicContact CB-CE1 3.41Å; K24-Y26 VanDerWaalsContact CB-CE1 3.41Å; K24-Y26 HydrophobicContact CD-CE1 4.43Å; K24-Y26 WeakPolarHBondContact O-CD1 3.46Å; Y26-V28 HydrophobicContact CD2-CG1 3.99Å; Y26-V28 HydrophobicContact CE2-CG1 3.76Å; Y26-R52 HydrophobicContact CD2-CG 3.7Å; Y26-R52 VanDerWaalsContact CE2-CD 3.45Å; Y26-R52 HydrophobicContact CE2-CG 3.63Å
27T87.2Confident85.3Confident13 Ų1351.6 Ų51.68%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-79.5134.2171.9-40.10000110.5P19 T20 Y29 I94P19-T27 HydrophobicContact CB-CG2 4.17Å; T20-T27 WeakPolarHBondContact O-CA 3.39Å; T27-Y29 HydrophobicContact CG2-CE1 4.37Å; T27-Y29 HydrophobicContact CG2-CE2 4.01Å; T27-I94 HydrophobicContact CG2-CD1 4.35Å; T27-I94 HydrophobicContact CG2-CG1 4.49Å; T27-I94 HydrophobicContact CG2-CG2 4.4Å
28V92.1Very high84.4Confident14 Ų1457.5 Ų57.59%0.08527%0.271CS..EExtended strand (participates in β ladder)trans-109155162.6-68.70000109.3P19 T20 H22 Y26 W50 K51 R52P19-V28 CarbonylContact C-O 3.57Å; P19-V28 WeakPolarHBondContact CA-O 3.36Å; T20-V28 PolarHBondContact N-O 2.88Å; T20-V28 PolarHBondContact O-N 3.22Å; T20-V28 VanDerWaalsContact OG1-CG2 3.22Å; T20-V28 WeakPolarHBondContact OG1-CG2 3.38Å; H22-V28 HydrophobicContact CB-CG1 4.44Å; Y26-V28 HydrophobicContact CD2-CG1 3.99Å; Y26-V28 HydrophobicContact CE2-CG1 3.76Å; V28-W50 HydrophobicContact CB-CE3 4.43Å; V28-W50 HydrophobicContact CG2-CE3 3.92Å; V28-W50 HydrophobicContact CG2-CZ3 4.39Å; V28-K51 WeakPolarHBondContact CA-O 3.17Å; V28-R52 HydrophobicContact CG1-CG 3.75Å
29Y92.5Very high83.7Confident0 Ų059.3 Ų59.30%028%0.276CS..EExtended strand (participates in β ladder)trans-124.2142.2176.3-52.5-103.3000107V16 P19 T27 W50 K51 F56 I94 R98V16-Y29 HydrophobicContact CG1-CD1 4.2Å; V16-Y29 HydrophobicContact CG1-CG 4.21Å; P19-Y29 HydrophobicContact CB-CD1 3.95Å; P19-Y29 HydrophobicContact CB-CE1 3.95Å; T27-Y29 HydrophobicContact CG2-CE1 4.37Å; T27-Y29 HydrophobicContact CG2-CE2 4.01Å; Y29-W50 WeakPolarHBondContact O-CA 3.12Å; Y29-K51 PolarHBondContact N-O 3.28Å; Y29-K51 PolarHBondContact O-N 2.68Å; Y29-F56 HydrophobicContact CD2-CE2 4.02Å; Y29-F56 HydrophobicContact CG-CE2 4.37Å; Y29-I94 HydrophobicContact CE1-CG2 4Å; Y29-R98 HydrophobicContact CD1-CB 4.2Å; Y29-R98 HydrophobicContact CD1-CG 4.22Å; Y29-R98 HydrophobicContact CE1-CB 4.06Å
30K91.4Very high82.7Confident53 Ų5360.5 Ų60.523%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-77.5129.1168-174.6-178.2-177.9-173.40107.7V16 T17 D18 I48 W50V16-K30 WeakPolarHBondContact CA-O 3.33Å; T17-K30 PolarHBondContact N-O 3.12Å; T17-K30 PolarHBondContact O-N 2.95Å; D18-K30 HydrophobicContact CB-CB 3.88Å; D18-K30 HydrophobicContact CB-CD 3.98Å; D18-K30 VanDerWaalsContact CG-CD 3.44Å; D18-K30 IonicContact OD1-NZ 2.68Å; D18-K30 WeakPolarHBondContact OD2-CD 3.47Å; D18-K30 WeakPolarHBondContact OD2-CE 3.39Å; D18-K30 IonicContact OD2-NZ 3.6Å; D18-K30 PolarHBondContact OD2-NZ 3.01Å; K30-I48 HydrophobicContact CG-CG2 3.83Å; K30-W50 HydrophobicContact CB-CD2 4.31Å; K30-W50 HydrophobicContact CB-CE3 4.04Å; K30-W50 HydrophobicContact CB-CH2 3.85Å; K30-W50 HydrophobicContact CB-CZ2 4.1Å; K30-W50 HydrophobicContact CB-CZ3 3.82Å; K30-W50 HydrophobicContact CD-CH2 4.24Å; K30-W50 HydrophobicContact CD-CZ2 4.08Å; K30-W50 HydrophobicContact CG-CH2 4.37Å; K30-W50 HydrophobicContact CG-CZ2 4.15Å
31V92.9Very high81.7Confident0 Ų058.1 Ų58.10%027%0.265CS..EExtended strand (participates in β ladder)trans-117.7120.6174.6-1690000108T15 V16 I48 V49 K51 F56 L105 F123 F124T15-V31 WeakPolarHBondContact O-CA 3.18Å; V16-V31 HydrophobicContact CG2-CG1 4.31Å; V16-V31 HydrophobicContact CG2-CG2 4.44Å; V31-I48 WeakPolarHBondContact O-CA 3.49Å; V31-V49 HydrophobicContact CB-CG2 3.89Å; V31-V49 PolarHBondContact N-O 2.85Å; V31-V49 PolarHBondContact O-N 2.63Å; V31-K51 HydrophobicContact CG2-CB 4.26Å; V31-K51 HydrophobicContact CG2-CG 4.25Å; V31-F56 HydrophobicContact CG2-CE1 3.55Å; V31-F56 HydrophobicContact CG2-CE2 4.33Å; V31-F56 HydrophobicContact CG2-CZ 3.25Å; V31-L105 HydrophobicContact CG1-CD1 3.49Å; V31-L105 VanDerWaalsContact CG1-CD1 3.49Å; V31-F123 HydrophobicContact CG1-CE1 4.29Å; V31-F123 HydrophobicContact CG2-CE1 4.27Å; V31-F123 HydrophobicContact CG2-CZ 4.42Å; V31-F124 HydrophobicContact CB-CE1 4.23Å; V31-F124 HydrophobicContact CG1-CE1 3.69Å; V31-F124 HydrophobicContact CG1-CZ 3.62Å
32T87.9Confident80.6Confident7 Ų751.2 Ų51.24%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-111.9117.4-178.8-61.70000108.4Y14 T15 R34 E46 I48Y14-T32 WeakPolarHBondContact CA-O 3.16Å; T15-T32 PolarHBondContact N-O 2.93Å; T15-T32 PolarHBondContact O-N 3.26Å; T32-R34 HydrophobicContact CG2-CG 4.21Å; T32-E46 HydrophobicContact CG2-CG 3.42Å; T32-E46 VanDerWaalsContact CG2-CG 3.42Å; T32-E46 WeakPolarHBondContact CG2-OE1 3.48Å; T32-I48 HydrophobicContact CG2-CG1 4.35Å
33A89.4Confident79.9Confident4 Ų451.2 Ų51.23%0.03324%0.243CC..EExtended strand (participates in β ladder)trans-103.1118.4174.100000109.9Y14 I47 F124Y14-A33 HydrophobicContact CD1-CB 3.58Å; Y14-A33 HydrophobicContact CE1-CB 3.46Å; Y14-A33 VanDerWaalsContact CE1-CB 3.46Å; A33-I47 HydrophobicContact CB-CB 4.36Å; A33-I47 PolarHBondContact N-O 2.67Å; A33-I47 PolarHBondContact O-N 3.38Å; A33-F124 HydrophobicContact CB-CD1 3.9Å; A33-F124 HydrophobicContact CB-CE1 3.52Å; A33-F124 HydrophobicContact CB-CE2 4.35Å; A33-F124 HydrophobicContact CB-CG 4.48Å; A33-F124 HydrophobicContact CB-CZ 3.78Å
34R84.1Confident79.9Confident28 Ų2842.1 Ų42.111%0.10620%0.2CC..EExtended strand (participates in β ladder)trans-106.5124.2178.3-68.6167.1179-174.6-13.5109.6R12 F13 T32 Q45 E46 L135 V387 N389R12-R34 WeakPolarHBondContact CA-O 3.18Å; F13-R34 HydrophobicContact CB-CB 4.42Å; F13-R34 PolarHBondContact N-O 2.85Å; F13-R34 PolarHBondContact O-N 3.07Å; T32-R34 HydrophobicContact CG2-CG 4.21Å; R34-Q45 WeakPolarHBondContact CA-O 3.39Å; R34-E46 HydrophobicContact CG-CB 4.49Å; R34-E46 HydrophobicContact CG-CG 4.2Å; R34-E46 IonicContact CZ-OE1 2.7Å; R34-E46 IonicContact NE-OE1 2.72Å; R34-E46 PolarHBondContact NE-OE1 3.37Å; R34-E46 IonicContact NH2-OE1 3.82Å; R34-E46 PolarHBondContact NH2-OE1 3.09Å; R34-L135 HydrophobicContact CG-CD1 4.2Å; R34-V387 VanDerWaalsContact NH1-CG1 3.34Å; R34-N389 PolarHBondContact NH1-O 3.37Å
35L86.3Confident80.1Confident15 Ų1537.6 Ų37.68%0.07918%0.181CC..EExtended strand (participates in β ladder)trans-111.5122.8176.2-57.595.8000108.1L10 A11 R12 V44 Q45 I47L10-L35 HydrophobicContact CD1-CD2 4.17Å; L10-L35 HydrophobicContact CD2-CB 4.39Å; A11-L35 WeakPolarHBondContact O-CA 3.46Å; R12-L35 HydrophobicContact CG-CD2 4.27Å; R12-L35 HydrophobicContact CG-CG 4.29Å; L35-V44 CarbonylContact O-C 3.57Å; L35-V44 WeakPolarHBondContact O-CA 3.42Å; L35-Q45 PolarHBondContact N-O 3.33Å; L35-Q45 PolarHBondContact O-N 3.01Å; L35-I47 HydrophobicContact CD1-CD1 3.77Å; L35-I47 HydrophobicContact CD1-CG1 4.05Å
36I80.4Confident80.2Confident4 Ų437.4 Ų37.42%0.02117%0.173CC..EExtended strand (participates in β ladder)trans-120.8125.5-176.9-55.1-177.5000108.9L10 A11 F13 R38 P41 V44 V387 L392L10-I36 CarbonylContact C-O 3.59Å; L10-I36 WeakPolarHBondContact CA-O 3.5Å; A11-I36 PolarHBondContact N-O 3.03Å; A11-I36 PolarHBondContact O-N 3.48Å; F13-I36 HydrophobicContact CD2-CD1 4.05Å; F13-I36 HydrophobicContact CD2-CG1 4.42Å; F13-I36 HydrophobicContact CE2-CD1 3.93Å; F13-I36 HydrophobicContact CE2-CG1 4.4Å; I36-R38 PolarHBondContact O-N 3.18Å; I36-P41 HydrophobicContact CG2-CB 4.49Å; I36-V44 HydrophobicContact CG1-CG1 4.07Å; I36-V44 HydrophobicContact CG1-CG2 4.11Å; I36-V44 HydrophobicContact CG2-CG2 4.25Å; I36-V387 HydrophobicContact CD1-CG2 3.9Å; I36-L392 HydrophobicContact CD1-CD1 4.43Å; I36-L392 HydrophobicContact CD1-CD2 3.52Å
37S77.5Confident80.3Confident12 Ų1235.4 Ų35.48%0.08417%0.166CC..EExtended strand (participates in β ladder)trans-68.8127.2175.6175.60000111.8K39 N40 P41 D43S37-K39 PolarHBondContact O-N 3.35Å; S37-K39 PolarHBondContact OG-N 3.03Å; S37-N40 WeakPolarHBondContact CB-O 3.16Å; S37-N40 CarbonylContact O-C 3.51Å; S37-N40 PolarHBondContact OG-N 2.6Å; S37-P41 WeakPolarHBondContact O-CA 3.36Å; S37-D43 WeakPolarHBondContact CB-OD2 3.32Å; S37-D43 PolarHBondContact N-O 2.89Å
38R68.1Low80.4Confident168 Ų16835.9 Ų35.963%0.63417%0.168SC*.SBendtrans-76.6-7.4177.9-65.7170166.2-164.8-8.1113.2G8 E9 A11 I36G8-R38 PolarHBondContact O-NH1 3.42Å; E9-R38 WeakPolarHBondContact O-CB 3.41Å; E9-R38 WeakPolarHBondContact O-CG 3.18Å; E9-R38 PolarHBondContact O-N 3.35Å; A11-R38 HydrophobicContact CB-CG 4.32Å; I36-R38 PolarHBondContact O-N 3.18Å
39K64.6Low80.4Confident106 Ų10635.5 Ų35.546%0.46117%0.166SC..SBendtrans-94-50171-70.6175.6177161.90110.5E9 S37E9-K39 VanDerWaalsContact CD-CE 3.47Å; E9-K39 VanDerWaalsContact OE1-CE 3.28Å; E9-K39 WeakPolarHBondContact OE1-CE 3.26Å; E9-K39 IonicContact OE1-NZ 2.82Å; E9-K39 PolarHBondContact OE1-NZ 2.93Å; E9-K39 WeakPolarHBondContact OE2-CE 3.45Å; E9-K39 IonicContact OE2-NZ 2.67Å; E9-K39 PolarHBondContact OE2-NZ 2.66Å; S37-K39 PolarHBondContact O-N 3.35Å; S37-K39 PolarHBondContact OG-N 3.03Å
40N63.9Low80.4Confident84 Ų8441.1 Ų41.145%0.44919%0.187SC..  trans-121.691.1-176.2-60.122.7000107.8S37 E42 D43S37-N40 WeakPolarHBondContact CB-O 3.16Å; S37-N40 CarbonylContact O-C 3.51Å; S37-N40 PolarHBondContact OG-N 2.6Å; N40-E42 PolarHBondContact O-N 3.22Å; N40-D43 HydrophobicContact CB-CB 4.4Å; N40-D43 PolarHBondContact O-N 2.94Å
41P64.7Low80.5Confident16 Ų1640.4 Ų40.410%0.10418%0.184CC..THydrogen-bonded Turntrans-66.8-4.8-176.327.6-34.5000114.2I36 S37 V44 I136 L379I36-P41 HydrophobicContact CG2-CB 4.49Å; S37-P41 WeakPolarHBondContact O-CA 3.36Å; P41-V44 WeakPolarHBondContact O-CG2 3.47Å; P41-I136 VanDerWaalsContact O-CD1 3.31Å; P41-I136 WeakPolarHBondContact O-CD1 3.32Å; P41-L379 HydrophobicContact CG-CB 3.96Å; P41-L379 HydrophobicContact CG-CD1 4.06Å; P41-L379 HydrophobicContact CG-CG 4.43Å
42E61.1Low80.5Confident39 Ų3944.7 Ų44.718%0.18220%0.2CC..THydrogen-bonded Turntrans-72.9-32168.3-63.4147.1167.700112.3N40 V44 S438 F443N40-E42 PolarHBondContact O-N 3.22Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.16Å; E42-S438 WeakPolarHBondContact OE1-CB 3.37Å; E42-S438 PolarHBondContact OE1-OG 3.15Å; E42-F443 HydrophobicContact CG-CE2 3.93Å; E42-F443 HydrophobicContact CG-CZ 3.65Å
43D69.6Low80.6Confident65 Ų6545.5 Ų45.535%0.34820%0.203SC..  trans-77.286.8174.2170.932000109.2S37 N40 Q45S37-D43 WeakPolarHBondContact CB-OD2 3.32Å; S37-D43 PolarHBondContact N-O 2.89Å; N40-D43 HydrophobicContact CB-CB 4.4Å; N40-D43 PolarHBondContact O-N 2.94Å; D43-Q45 PolarHBondContact OD1-NE2 2.8Å
44V78.3Confident80.7Confident3 Ų347.8 Ų47.82%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-111.4130.1173.9-175.40000108.3L35 I36 P41 E42 G132 L135 I136L35-V44 CarbonylContact O-C 3.57Å; L35-V44 WeakPolarHBondContact O-CA 3.42Å; I36-V44 HydrophobicContact CG1-CG1 4.07Å; I36-V44 HydrophobicContact CG1-CG2 4.11Å; I36-V44 HydrophobicContact CG2-CG2 4.25Å; P41-V44 WeakPolarHBondContact O-CG2 3.47Å; E42-V44 VanDerWaalsContact C-N 3.34Å; E42-V44 PolarHBondContact O-N 3.16Å; V44-G132 CarbonylContact O-C 3.58Å; V44-G132 WeakPolarHBondContact O-CA 3.21Å; V44-G132 PolarHBondContact O-N 2.84Å; V44-L135 HydrophobicContact CG1-CD1 4.23Å; V44-I136 HydrophobicContact CG2-CD1 3.7Å
45Q82Confident81.1Confident64 Ų6448 Ų4830%0.29922%0.221SC..EExtended strand (participates in β ladder)trans-120.9127.5174.7-68.2166.333.600108.9R34 L35 D43R34-Q45 WeakPolarHBondContact CA-O 3.39Å; L35-Q45 PolarHBondContact N-O 3.33Å; L35-Q45 PolarHBondContact O-N 3.01Å; D43-Q45 PolarHBondContact OD1-NE2 2.8Å
46E84.9Confident81.5Confident25 Ų2547.2 Ų47.212%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-107.5128.6177.5-174.5169-94.800110.2T32 R34 I48 I129 H130T32-E46 HydrophobicContact CG2-CG 3.42Å; T32-E46 VanDerWaalsContact CG2-CG 3.42Å; T32-E46 WeakPolarHBondContact CG2-OE1 3.48Å; R34-E46 HydrophobicContact CG-CB 4.49Å; R34-E46 HydrophobicContact CG-CG 4.2Å; R34-E46 IonicContact CZ-OE1 2.7Å; R34-E46 IonicContact NE-OE1 2.72Å; R34-E46 PolarHBondContact NE-OE1 3.37Å; R34-E46 IonicContact NH2-OE1 3.82Å; R34-E46 PolarHBondContact NH2-OE1 3.09Å; E46-I48 HydrophobicContact CG-CG1 4.18Å; E46-I129 WeakPolarHBondContact O-CA 3.48Å; E46-H130 HydrophobicContact CB-CB 4.42Å; E46-H130 PolarHBondContact N-O 3.24Å; E46-H130 VanDerWaalsContact N-O 3.11Å; E46-H130 PolarHBondContact O-N 3.02Å
47I87.8Confident82Confident24 Ų2450.4 Ų50.412%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-120.9114.5178.7-49.6-179.3000108.8A33 L35 F124 E128 I129A33-I47 HydrophobicContact CB-CB 4.36Å; A33-I47 PolarHBondContact N-O 2.67Å; A33-I47 PolarHBondContact O-N 3.38Å; L35-I47 HydrophobicContact CD1-CD1 3.77Å; L35-I47 HydrophobicContact CD1-CG1 4.05Å; I47-F124 HydrophobicContact CG2-CD1 4.42Å; I47-E128 CarbonylContact C-O 3.55Å; I47-E128 WeakPolarHBondContact CA-O 3.42Å; I47-I129 HydrophobicContact CG1-CG1 4.25Å; I47-I129 HydrophobicContact CG1-CG2 4.46Å; I47-I129 HydrophobicContact CG2-CG1 4.38Å
48I89.1Confident82.8Confident23 Ų2355.7 Ų55.712%0.11825%0.251CS..EExtended strand (participates in β ladder)trans-102.1131.1-178.4-55.8-178.6000109.9K30 V31 T32 E46 G127 E128K30-I48 HydrophobicContact CG-CG2 3.83Å; V31-I48 WeakPolarHBondContact O-CA 3.49Å; T32-I48 HydrophobicContact CG2-CG1 4.35Å; E46-I48 HydrophobicContact CG-CG1 4.18Å; I48-G127 CarbonylContact O-C 3.47Å; I48-G127 WeakPolarHBondContact O-CA 3.36Å; I48-E128 PolarHBondContact N-O 3.1Å; I48-E128 PolarHBondContact O-N 2.85Å
49V92.7Very high84Confident6 Ų648 Ų484%0.03622%0.222CC..EExtended strand (participates in β ladder)trans-137.9136.8170.7-70.50000112.7V31 K51 F123 F124V31-V49 HydrophobicContact CB-CG2 3.89Å; V31-V49 PolarHBondContact N-O 2.85Å; V31-V49 PolarHBondContact O-N 2.63Å; V49-K51 VanDerWaalsContact CB-CE 3.41Å; V49-K51 HydrophobicContact CB-CG 4.3Å; V49-K51 HydrophobicContact CG2-CD 4.36Å; V49-K51 HydrophobicContact CG2-CG 3.85Å; V49-F123 HydrophobicContact CG2-CE1 4.45Å; V49-F124 HydrophobicContact CG1-CD1 4.27Å; V49-F124 HydrophobicContact CG2-CD1 3.5Å; V49-F124 HydrophobicContact CG2-CE1 3.61Å; V49-F124 HydrophobicContact CG2-CG 4.46Å
50W92.1Very high85.4Confident117 Ų11744.4 Ų44.444%0.44321%0.207SC..EExtended strand (participates in β ladder)trans-87.5125.7169.9-65.890000110.6D18 T20 V28 Y29 K30D18-W50 HydrophobicContact CB-CH2 3.81Å; D18-W50 HydrophobicContact CB-CZ3 4.17Å; D18-W50 WeakPolarHBondContact O-CZ3 3.34Å; T20-W50 HydrophobicContact CG2-CH2 4.39Å; T20-W50 HydrophobicContact CG2-CZ3 4.23Å; V28-W50 HydrophobicContact CB-CE3 4.43Å; V28-W50 HydrophobicContact CG2-CE3 3.92Å; V28-W50 HydrophobicContact CG2-CZ3 4.39Å; Y29-W50 WeakPolarHBondContact O-CA 3.12Å; K30-W50 HydrophobicContact CB-CD2 4.31Å; K30-W50 HydrophobicContact CB-CE3 4.04Å; K30-W50 HydrophobicContact CB-CH2 3.85Å; K30-W50 HydrophobicContact CB-CZ2 4.1Å; K30-W50 HydrophobicContact CB-CZ3 3.82Å; K30-W50 HydrophobicContact CD-CH2 4.24Å; K30-W50 HydrophobicContact CD-CZ2 4.08Å; K30-W50 HydrophobicContact CG-CH2 4.37Å; K30-W50 HydrophobicContact CG-CZ2 4.15Å
51K93.8Very high86.8Confident39 Ų3946 Ų4617%0.1721%0.212CC..EExtended strand (participates in β ladder)trans-137144.5-174.1-60-72.3151.81660111.5V28 Y29 V31 V49 F56 F123V28-K51 WeakPolarHBondContact CA-O 3.17Å; Y29-K51 PolarHBondContact N-O 3.28Å; Y29-K51 PolarHBondContact O-N 2.68Å; V31-K51 HydrophobicContact CG2-CB 4.26Å; V31-K51 HydrophobicContact CG2-CG 4.25Å; V49-K51 VanDerWaalsContact CB-CE 3.41Å; V49-K51 HydrophobicContact CB-CG 4.3Å; V49-K51 HydrophobicContact CG2-CD 4.36Å; V49-K51 HydrophobicContact CG2-CG 3.85Å; K51-F56 HydrophobicContact CB-CD2 4.39Å; K51-F56 HydrophobicContact CB-CE2 3.84Å; K51-F56 HydrophobicContact CB-CZ 4.18Å; K51-F123 HydrophobicContact CB-CE2 4.32Å; K51-F123 HydrophobicContact CB-CZ 3.88Å; K51-F123 HydrophobicContact CD-CE1 4.43Å; K51-F123 HydrophobicContact CD-CE2 4.18Å; K51-F123 HydrophobicContact CD-CZ 4.14Å; K51-F123 WeakPolarHBondContact CE-O 3.48Å; K51-F123 HydrophobicContact CG-CE1 3.87Å; K51-F123 HydrophobicContact CG-CE2 4.07Å; K51-F123 HydrophobicContact CG-CZ 3.57Å; K51-F123 PolarHBondContact NZ-O 2.86Å
52R92.4Very high88.1Confident90 Ų9047.8 Ų47.834%0.3422%0.22SC..EExtended strand (participates in β ladder)trans-88.8155.3176.3-51.8167-60.8172.65.9109.4Y26 V28 S54 D55 F56Y26-R52 HydrophobicContact CD2-CG 3.7Å; Y26-R52 VanDerWaalsContact CE2-CD 3.45Å; Y26-R52 HydrophobicContact CE2-CG 3.63Å; V28-R52 HydrophobicContact CG1-CG 3.75Å; R52-S54 PolarHBondContact NE-OG 2.86Å; R52-S54 PolarHBondContact O-N 3.33Å; R52-D55 VanDerWaalsContact CB-OD2 3.31Å; R52-D55 WeakPolarHBondContact CB-OD2 3.41Å; R52-D55 IonicContact CZ-OD1 2.79Å; R52-D55 IonicContact CZ-OD2 3.24Å; R52-D55 PolarHBondContact N-OD2 2.85Å; R52-D55 IonicContact NE-OD1 3.53Å; R52-D55 IonicContact NE-OD2 3.54Å; R52-D55 PolarHBondContact NE-OD2 3.35Å; R52-D55 IonicContact NH2-OD1 3.75Å; R52-D55 PolarHBondContact NH2-OD1 2.87Å; R52-D55 IonicContact NH2-OD2 2.81Å; R52-D55 PolarHBondContact NH2-OD2 3.05Å; R52-D55 WeakPolarHBondContact O-CB 3.41Å; R52-D55 PolarHBondContact O-N 2.79Å; R52-F56 VanDerWaalsContact O-CD2 3.31Å; R52-F56 WeakPolarHBondContact O-CD2 3.2Å; R52-F56 PolarHBondContact O-N 3.07Å
53Y90.8Very high89.5Confident23 Ų2345.9 Ų45.99%0.0921%0.212CC..Hα-helixtrans-55.9-28.4176.5-172.3-115.9000114.2D55 R57 F80 A81 R97Y53-D55 PolarHBondContact O-N 3.33Å; Y53-R57 HydrophobicContact CE1-CG 4.4Å; Y53-R57 PolarHBondContact O-N 3.12Å; Y53-F80 HydrophobicContact CD2-CE1 4.28Å; Y53-F80 HydrophobicContact CE1-CE1 4.49Å; Y53-F80 HydrophobicContact CE2-CD1 4.19Å; Y53-F80 AromaticContact CE2-CE1 3.31Å; Y53-F80 HydrophobicContact CE2-CE1 3.31Å; Y53-F80 AromaticContact CE2-CZ 3.71Å; Y53-F80 HydrophobicContact CE2-CZ 3.71Å; Y53-F80 AromaticContact CZ-CD1 3.9Å; Y53-F80 AromaticContact CZ-CE1 3.42Å; Y53-F80 VanDerWaalsContact CZ-CE1 3.42Å; Y53-F80 WeakPolarHBondContact OH-CD1 3.27Å; Y53-F80 WeakPolarHBondContact OH-CE1 3.19Å; Y53-A81 WeakPolarHBondContact OH-CB 3.3Å; Y53-A81 PolarHBondContact OH-O 3.4Å; Y53-R97 HydrophobicContact CD1-CG 4.09Å; Y53-R97 HydrophobicContact CD2-CB 3.65Å; Y53-R97 HydrophobicContact CD2-CG 3.79Å; Y53-R97 HydrophobicContact CE1-CG 3.9Å; Y53-R97 HydrophobicContact CE2-CB 3.66Å; Y53-R97 HydrophobicContact CE2-CG 3.6Å; Y53-R97 HydrophobicContact CG-CB 4.25Å; Y53-R97 HydrophobicContact CG-CG 4.05Å
54S90.5Very high90.4Very high52 Ų5248.2 Ų48.236%0.36422%0.216SC..Hα-helixtrans-61.7-26.8172.457.60000114.2R52 K58R52-S54 PolarHBondContact NE-OG 2.86Å; R52-S54 PolarHBondContact O-N 3.33Å; S54-K58 PolarHBondContact O-N 3.26Å
55D93.1Very high90.9Very high32 Ų3253.2 Ų53.217%0.17124%0.239CC..Hα-helixtrans-90.4-38-170.3-50.1-35.1000109.7R52 Y53 R57 K58 L59R52-D55 VanDerWaalsContact CB-OD2 3.31Å; R52-D55 WeakPolarHBondContact CB-OD2 3.41Å; R52-D55 IonicContact CZ-OD1 2.79Å; R52-D55 IonicContact CZ-OD2 3.24Å; R52-D55 PolarHBondContact N-OD2 2.85Å; R52-D55 IonicContact NE-OD1 3.53Å; R52-D55 IonicContact NE-OD2 3.54Å; R52-D55 PolarHBondContact NE-OD2 3.35Å; R52-D55 IonicContact NH2-OD1 3.75Å; R52-D55 PolarHBondContact NH2-OD1 2.87Å; R52-D55 IonicContact NH2-OD2 2.81Å; R52-D55 PolarHBondContact NH2-OD2 3.05Å; R52-D55 WeakPolarHBondContact O-CB 3.41Å; R52-D55 PolarHBondContact O-N 2.79Å; Y53-D55 PolarHBondContact O-N 3.33Å; D55-R57 PolarHBondContact O-N 2.82Å; D55-K58 PolarHBondContact O-N 2.79Å; D55-L59 PolarHBondContact O-N 2.87Å; D55-L59 VanDerWaalsContact O-N 3.07Å
56F93.8Very high91.2Very high0 Ų052.5 Ų52.50%024%0.237CC..Hα-helixtrans-59.8-32.7165.7-61.8-93.8000112.4V16 Y29 V31 K51 R52 L59 H60 F80 L105 F123V16-F56 HydrophobicContact CG1-CE1 4.41Å; V16-F56 HydrophobicContact CG1-CZ 3.98Å; V16-F56 HydrophobicContact CG2-CE1 4.11Å; V16-F56 HydrophobicContact CG2-CZ 4.45Å; Y29-F56 HydrophobicContact CD2-CE2 4.02Å; Y29-F56 HydrophobicContact CG-CE2 4.37Å; V31-F56 HydrophobicContact CG2-CE1 3.55Å; V31-F56 HydrophobicContact CG2-CE2 4.33Å; V31-F56 HydrophobicContact CG2-CZ 3.25Å; K51-F56 HydrophobicContact CB-CD2 4.39Å; K51-F56 HydrophobicContact CB-CE2 3.84Å; K51-F56 HydrophobicContact CB-CZ 4.18Å; R52-F56 VanDerWaalsContact O-CD2 3.31Å; R52-F56 WeakPolarHBondContact O-CD2 3.2Å; R52-F56 PolarHBondContact O-N 3.07Å; F56-L59 CarbonylContact O-C 3.52Å; F56-L59 WeakPolarHBondContact O-CB 3.44Å; F56-L59 PolarHBondContact O-N 3.04Å; F56-H60 WeakPolarHBondContact O-CB 3.17Å; F56-H60 PolarHBondContact O-N 3.43Å; F56-F80 HydrophobicContact CB-CE1 4.48Å; F56-F80 HydrophobicContact CB-CZ 3.82Å; F56-L105 HydrophobicContact CD1-CD1 4.45Å; F56-L105 HydrophobicContact CE1-CD1 4.03Å; F56-F123 HydrophobicContact CD1-CE2 4.18Å; F56-F123 AromaticContact CD1-CZ 3.59Å; F56-F123 HydrophobicContact CD1-CZ 3.59Å; F56-F123 HydrophobicContact CD2-CZ 4.49Å; F56-F123 HydrophobicContact CE1-CE1 4.39Å; F56-F123 AromaticContact CE1-CZ 3.71Å; F56-F123 HydrophobicContact CE1-CZ 3.71Å; F56-F123 HydrophobicContact CG-CE2 4.28Å; F56-F123 HydrophobicContact CG-CZ 4.04Å; F56-F123 HydrophobicContact CZ-CZ 4.26Å
57R92.2Very high91.3Very high70 Ų7052.1 Ų52.126%0.26423%0.234SC..Hα-helixtrans-67-39.5174.8-79.8-166.9172.1-168.96114.3Y53 D55 L59 H60 Q61 F80 A81 K82Y53-R57 HydrophobicContact CE1-CG 4.4Å; Y53-R57 PolarHBondContact O-N 3.12Å; D55-R57 PolarHBondContact O-N 2.82Å; R57-L59 VanDerWaalsContact C-N 3.27Å; R57-H60 PolarHBondContact O-N 3.38Å; R57-Q61 WeakPolarHBondContact O-CG 3.31Å; R57-Q61 PolarHBondContact O-N 2.81Å; R57-F80 HydrophobicContact CG-CD1 3.79Å; R57-F80 HydrophobicContact CG-CE1 3.48Å; R57-F80 VanDerWaalsContact CG-CE1 3.48Å; R57-A81 PolarHBondContact NH2-O 2.88Å; R57-K82 PolarHBondContact NH2-O 3.49Å
58K93.5Very high91.1Very high123 Ų12359.3 Ų59.354%0.53526%0.26SS..Hα-helixtrans-62.7-41.4172.9-67.8171.4-179.5179.30109.6S54 D55 N62S54-K58 PolarHBondContact O-N 3.26Å; D55-K58 PolarHBondContact O-N 2.79Å; K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.23Å; K58-N62 PolarHBondContact O-N 3.27Å; K58-N62 PolarHBondContact O-ND2 3.1Å; K58-N62 PolarHBondContact O-OD1 2.99Å
59L94.2Very high90.6Very high6 Ų664.2 Ų64.23%0.03129%0.287CS..Hα-helixtrans-60.9-46.9172.5-173.965.4000112D55 F56 R57 Q61 N62 L63 L105 H119 I120 F123D55-L59 PolarHBondContact O-N 2.87Å; D55-L59 VanDerWaalsContact O-N 3.07Å; F56-L59 CarbonylContact O-C 3.52Å; F56-L59 WeakPolarHBondContact O-CB 3.44Å; F56-L59 PolarHBondContact O-N 3.04Å; R57-L59 VanDerWaalsContact C-N 3.27Å; L59-Q61 PolarHBondContact O-N 2.9Å; L59-N62 PolarHBondContact O-N 2.95Å; L59-L63 HydrophobicContact CD1-CD1 3.84Å; L59-L63 HydrophobicContact CD1-CD2 4.36Å; L59-L63 HydrophobicContact CD1-CG 3.83Å; L59-L63 HydrophobicContact CD2-CD1 4.29Å; L59-L63 HydrophobicContact CG-CD1 3.72Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.87Å; L59-L105 HydrophobicContact CD2-CD2 3.64Å; L59-H119 HydrophobicContact CD1-CB 4.01Å; L59-I120 HydrophobicContact CD1-CD1 4.09Å; L59-I120 HydrophobicContact CD1-CG1 4.41Å; L59-I120 HydrophobicContact CD2-CD1 4.06Å; L59-F123 HydrophobicContact CB-CD2 4.05Å; L59-F123 HydrophobicContact CB-CE2 4.33Å; L59-F123 HydrophobicContact CD1-CB 4.3Å; L59-F123 HydrophobicContact CD2-CB 4.37Å; L59-F123 HydrophobicContact CD2-CD1 4.19Å; L59-F123 HydrophobicContact CD2-CD2 3.79Å; L59-F123 HydrophobicContact CD2-CE1 4.41Å; L59-F123 HydrophobicContact CD2-CE2 4.04Å; L59-F123 HydrophobicContact CD2-CG 3.86Å; L59-F123 HydrophobicContact CD2-CZ 4.33Å; L59-F123 HydrophobicContact CG-CD2 4.36Å
60H94.1Very high89.7Confident31 Ų3168.3 Ų68.314%0.14431%0.311CS..Hα-helixtrans-56.1-51.2177.5-174.9-86.9000111.9F56 R57 N62 L63 W64 F77 P78 F80 L104F56-H60 WeakPolarHBondContact O-CB 3.17Å; F56-H60 PolarHBondContact O-N 3.43Å; R57-H60 PolarHBondContact O-N 3.38Å; H60-N62 PolarHBondContact O-N 2.63Å; H60-L63 PolarHBondContact O-N 2.7Å; H60-W64 VanDerWaalsContact O-CB 3.28Å; H60-W64 WeakPolarHBondContact O-CB 3.08Å; H60-W64 PolarHBondContact O-N 3.26Å; H60-F77 AromaticContact CD2-CE1 3.72Å; H60-F77 AromaticContact CE1-CE1 3.76Å; H60-F77 AromaticContact NE2-CD1 3.77Å; H60-F77 AromaticContact NE2-CE1 3.4Å; H60-F77 WeakPolarHBondContact NE2-CE1 3.28Å; H60-P78 PolarHBondContact NE2-O 3.08Å; H60-F80 HydrophobicContact CB-CD2 4.3Å; H60-F80 HydrophobicContact CB-CE2 4.47Å; H60-F80 HydrophobicContact CB-CG 4.34Å; H60-F80 AromaticContact CD2-CD2 3.36Å; H60-F80 WeakPolarHBondContact CD2-CD2 3.19Å; H60-F80 AromaticContact CD2-CG 3.64Å; H60-F80 AromaticContact CG-CD2 3.95Å; H60-F80 AromaticContact CG-CG 3.91Å; H60-L104 HydrophobicContact CB-CD2 3.69Å
61Q91.6Very high88.5Confident117 Ų11764.1 Ų64.155%0.54730%0.3SS..Hα-helixtrans-62.2-44.1179.3-71.3176.2-22.400112R57 L59 W64 Q65R57-Q61 WeakPolarHBondContact O-CG 3.31Å; R57-Q61 PolarHBondContact O-N 2.81Å; L59-Q61 PolarHBondContact O-N 2.9Å; Q61-W64 PolarHBondContact O-N 2.95Å; Q61-Q65 WeakPolarHBondContact O-CG 3.29Å; Q61-Q65 PolarHBondContact O-N 3.1Å; Q61-Q65 VanDerWaalsContact O-N 3.09Å
62N92.3Very high86.7Confident54 Ų5467.2 Ų67.229%0.28933%0.326SS..Hα-helixtrans-68-43.6179.3-68.1-7.8000112K58 L59 H60 Q65 L66 H119K58-N62 VanDerWaalsContact O-CB 3.28Å; K58-N62 WeakPolarHBondContact O-CB 3.23Å; K58-N62 PolarHBondContact O-N 3.27Å; K58-N62 PolarHBondContact O-ND2 3.1Å; K58-N62 PolarHBondContact O-OD1 2.99Å; L59-N62 PolarHBondContact O-N 2.95Å; H60-N62 PolarHBondContact O-N 2.63Å; N62-Q65 PolarHBondContact O-N 2.75Å; N62-L66 PolarHBondContact O-N 3.26Å; N62-H119 HydrophobicContact CB-CB 4.27Å
63L91.3Very high84.8Confident0 Ų071.7 Ų71.70%035%0.351CS..Hα-helixtrans-67.9-34.3176.4-70.2-178000112L59 H60 L66 Y67 F77 L104 L114 I120L59-L63 HydrophobicContact CD1-CD1 3.84Å; L59-L63 HydrophobicContact CD1-CD2 4.36Å; L59-L63 HydrophobicContact CD1-CG 3.83Å; L59-L63 HydrophobicContact CD2-CD1 4.29Å; L59-L63 HydrophobicContact CG-CD1 3.72Å; L59-L63 HydrophobicContact CG-CG 4.08Å; L59-L63 VanDerWaalsContact O-CB 3.29Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 VanDerWaalsContact O-CG 3.28Å; L59-L63 WeakPolarHBondContact O-CG 3.45Å; L59-L63 PolarHBondContact O-N 2.87Å; H60-L63 PolarHBondContact O-N 2.7Å; L63-L66 PolarHBondContact O-N 2.99Å; L63-Y67 WeakPolarHBondContact O-CB 3.27Å; L63-Y67 PolarHBondContact O-N 3.07Å; L63-F77 HydrophobicContact CB-CE2 4.26Å; L63-F77 HydrophobicContact CB-CZ 3.84Å; L63-L104 HydrophobicContact CD1-CD1 4.11Å; L63-L104 HydrophobicContact CD1-CG 4.49Å; L63-L114 HydrophobicContact CD2-CB 4.21Å; L63-L114 HydrophobicContact CD2-CD2 4.13Å; L63-I120 HydrophobicContact CD1-CD1 4.23Å; L63-I120 HydrophobicContact CD2-CG1 4.25Å
64W88.9Confident83.3Confident114 Ų11475.9 Ų75.943%0.43238%0.383SS..Hα-helixtrans-64.7-41.5173.5-18079.4000111.7H60 Q61 Y67 R68 F77H60-W64 VanDerWaalsContact O-CB 3.28Å; H60-W64 WeakPolarHBondContact O-CB 3.08Å; H60-W64 PolarHBondContact O-N 3.26Å; Q61-W64 PolarHBondContact O-N 2.95Å; W64-Y67 PolarHBondContact O-N 3.43Å; W64-R68 VanDerWaalsContact O-CB 3.3Å; W64-R68 WeakPolarHBondContact O-CB 3.49Å; W64-R68 PolarHBondContact O-N 3.2Å; W64-F77 HydrophobicContact CB-CD1 4.11Å; W64-F77 HydrophobicContact CB-CE1 3.69Å; W64-F77 HydrophobicContact CB-CZ 3.94Å; W64-F77 AromaticContact CD1-CD1 3.66Å; W64-F77 AromaticContact CD1-CG 3.9Å; W64-F77 HydrophobicContact CG-CD1 4.3Å; W64-F77 HydrophobicContact CG-CE1 4.36Å
65Q88.8Confident82.3Confident107 Ų10778.6 Ų78.650%0.539%0.39SS..Hα-helixtrans-62.6-45.6174.2-71.5175.916.900111.5Q61 N62 N69Q61-Q65 WeakPolarHBondContact O-CG 3.29Å; Q61-Q65 PolarHBondContact O-N 3.1Å; Q61-Q65 VanDerWaalsContact O-N 3.09Å; N62-Q65 PolarHBondContact O-N 2.75Å; Q65-N69 WeakPolarHBondContact O-CB 3.39Å; Q65-N69 PolarHBondContact O-N 3.4Å; Q65-N69 VanDerWaalsContact O-N 3.15Å; Q65-N69 PolarHBondContact O-ND2 3.28Å
66L87.6Confident81.6Confident49 Ų4985 Ų8526%0.25742%0.423SS..Hα-helixtrans-63.5-43.9174.3-70.1-172.5000112.4N62 L63 N69 V70 L114 S117N62-L66 PolarHBondContact O-N 3.26Å; L63-L66 PolarHBondContact O-N 2.99Å; L66-N69 PolarHBondContact O-N 2.72Å; L66-N69 VanDerWaalsContact O-N 3.16Å; L66-V70 WeakPolarHBondContact O-CG2 3.2Å; L66-V70 PolarHBondContact O-N 2.9Å; L66-L114 HydrophobicContact CB-CD2 3.95Å; L66-S117 VanDerWaalsContact CD1-CB 3.4Å
67Y86Confident81.3Confident17 Ų1786.5 Ų86.57%0.06743%0.43CS..Hα-helixtrans-58.8-50.5178.7-178.6-96.4000110.8L63 W64 N69 V70 C71 E75 F77 F107 I111 L114L63-Y67 WeakPolarHBondContact O-CB 3.27Å; L63-Y67 PolarHBondContact O-N 3.07Å; W64-Y67 PolarHBondContact O-N 3.43Å; Y67-N69 PolarHBondContact O-N 2.83Å; Y67-V70 PolarHBondContact O-N 2.84Å; Y67-C71 HydrophobicContact CD1-CB 4.47Å; Y67-C71 HydrophobicContact CD2-CB 3.63Å; Y67-C71 HydrophobicContact CE1-CB 4.19Å; Y67-C71 HydrophobicContact CE2-CB 3.32Å; Y67-C71 HydrophobicContact CG-CB 4.19Å; Y67-C71 WeakPolarHBondContact O-CA 3.47Å; Y67-C71 WeakPolarHBondContact O-CB 3.19Å; Y67-C71 PolarHBondContact O-N 2.9Å; Y67-E75 PolarHBondContact OH-N 3.44Å; Y67-E75 PolarHBondContact OH-O 3.4Å; Y67-F77 HydrophobicContact CD1-CB 4.18Å; Y67-F77 AromaticContact CD1-CD2 3.83Å; Y67-F77 HydrophobicContact CD1-CD2 3.83Å; Y67-F77 HydrophobicContact CD1-CG 4.4Å; Y67-F77 HydrophobicContact CD2-CD2 4.13Å; Y67-F77 HydrophobicContact CE1-CB 4.4Å; Y67-F77 AromaticContact CG-CD2 3.59Å; Y67-F77 HydrophobicContact CG-CD2 3.59Å; Y67-F77 HydrophobicContact CG-CE2 4.14Å; Y67-F107 HydrophobicContact CD2-CE1 4.01Å; Y67-F107 HydrophobicContact CD2-CZ 4.07Å; Y67-F107 HydrophobicContact CE2-CE1 4.16Å; Y67-F107 AromaticContact CE2-CZ 3.73Å; Y67-F107 HydrophobicContact CE2-CZ 3.73Å; Y67-I111 HydrophobicContact CD2-CD1 3.93Å; Y67-I111 HydrophobicContact CE2-CD1 3.66Å; Y67-L114 HydrophobicContact CD2-CD1 4.19Å
68R84Confident81Confident175 Ų17584 Ų8466%0.6642%0.423SS*.Hα-helixtrans-58.6-31.9176.7-177.9178.1176.7-168.3-1.9113.3W64W64-R68 VanDerWaalsContact O-CB 3.3Å; W64-R68 WeakPolarHBondContact O-CB 3.49Å; W64-R68 PolarHBondContact O-N 3.2Å
69N79Confident80.5Confident127 Ų12783.5 Ų83.568%0.67943%0.432SS*.Hα-helixtrans-85.9-20.4-177.8-68.6-13.4000113.9Q65 L66 Y67Q65-N69 WeakPolarHBondContact O-CB 3.39Å; Q65-N69 PolarHBondContact O-N 3.4Å; Q65-N69 VanDerWaalsContact O-N 3.15Å; Q65-N69 PolarHBondContact O-ND2 3.28Å; L66-N69 PolarHBondContact O-N 2.72Å; L66-N69 VanDerWaalsContact O-N 3.16Å; Y67-N69 PolarHBondContact O-N 2.83Å
70V74.1Confident80.3Confident91 Ų9185 Ų8555%0.55244%0.439SS*.Hα-helixtrans-117.1-33.3-173.9-177.40000113L66 Y67 A113L66-V70 WeakPolarHBondContact O-CG2 3.2Å; L66-V70 PolarHBondContact O-N 2.9Å; Y67-V70 PolarHBondContact O-N 2.84Å; V70-A113 HydrophobicContact CB-CB 4.31Å; V70-A113 HydrophobicContact CG1-CB 3.7Å
71C67.4Low80Confident30 Ų3084.2 Ų84.220%0.20344%0.437CS..  trans-105.6108.2-173.7-61.30000111Y67 H73Y67-C71 HydrophobicContact CD1-CB 4.47Å; Y67-C71 HydrophobicContact CD2-CB 3.63Å; Y67-C71 HydrophobicContact CE1-CB 4.19Å; Y67-C71 HydrophobicContact CE2-CB 3.32Å; Y67-C71 HydrophobicContact CG-CB 4.19Å; Y67-C71 WeakPolarHBondContact O-CA 3.47Å; Y67-C71 WeakPolarHBondContact O-CB 3.19Å; Y67-C71 PolarHBondContact O-N 2.9Å; C71-H73 VanDerWaalsContact C-N 3.34Å; C71-H73 PolarHBondContact O-N 2.86Å
72S55.2Low79.3Confident104 Ų10487.1 Ų87.173%0.72745%0.448SS*.  trans-78.578.9179.2-68.40000112.5S74S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.43Å; S72-S74 VanDerWaalsContact O-N 3.12Å
73H52.7Low78.5Confident184 Ų18487.6 Ų87.685%0.85246%0.459SS*.SBendtrans63.513.9160.1-57.980.3000118.2C71C71-H73 VanDerWaalsContact C-N 3.34Å; C71-H73 PolarHBondContact O-N 2.86Å
74S59Low77.8Confident111 Ų11192 Ų9278%0.77648%0.479SS*.SBendtrans-76.9-22.7-177.5-53.70000115.6S72S72-S74 VanDerWaalsContact C-N 3.31Å; S72-S74 PolarHBondContact O-N 3.43Å; S72-S74 VanDerWaalsContact O-N 3.12Å
75E69.3Low76.5Confident109 Ų10991 Ų9151%0.50949%0.485SS..SBendtrans-137.4160.1-176-66.6177.2174.100111Y67 F107Y67-E75 PolarHBondContact OH-N 3.44Å; Y67-E75 PolarHBondContact OH-O 3.4Å; E75-F107 HydrophobicContact CB-CE2 4.36Å
76L79.6Confident75.1Confident165 Ų16594.9 Ų94.986%0.86450%0.5SS*.PPolyproline II helixtrans-91122.5175.1-68.4174.7000110
77F85.9Confident74.4Confident32 Ų3293.9 Ų93.914%0.1450%0.501CS..PPolyproline II helixtrans-67.7136.2176.2-165-95.8000110.7H60 L63 W64 Y67 L104 F107 L114H60-F77 AromaticContact CD2-CE1 3.72Å; H60-F77 AromaticContact CE1-CE1 3.76Å; H60-F77 AromaticContact NE2-CD1 3.77Å; H60-F77 AromaticContact NE2-CE1 3.4Å; H60-F77 WeakPolarHBondContact NE2-CE1 3.28Å; L63-F77 HydrophobicContact CB-CE2 4.26Å; L63-F77 HydrophobicContact CB-CZ 3.84Å; W64-F77 HydrophobicContact CB-CD1 4.11Å; W64-F77 HydrophobicContact CB-CE1 3.69Å; W64-F77 HydrophobicContact CB-CZ 3.94Å; W64-F77 AromaticContact CD1-CD1 3.66Å; W64-F77 AromaticContact CD1-CG 3.9Å; W64-F77 HydrophobicContact CG-CD1 4.3Å; W64-F77 HydrophobicContact CG-CE1 4.36Å; Y67-F77 HydrophobicContact CD1-CB 4.18Å; Y67-F77 AromaticContact CD1-CD2 3.83Å; Y67-F77 HydrophobicContact CD1-CD2 3.83Å; Y67-F77 HydrophobicContact CD1-CG 4.4Å; Y67-F77 HydrophobicContact CD2-CD2 4.13Å; Y67-F77 HydrophobicContact CE1-CB 4.4Å; Y67-F77 AromaticContact CG-CD2 3.59Å; Y67-F77 HydrophobicContact CG-CD2 3.59Å; Y67-F77 HydrophobicContact CG-CE2 4.14Å; F77-L104 HydrophobicContact CE1-CD1 4.1Å; F77-L104 HydrophobicContact CZ-CD1 3.79Å; F77-F107 HydrophobicContact CD2-CD1 4.18Å; F77-F107 AromaticContact CD2-CE1 3.46Å; F77-F107 HydrophobicContact CD2-CE1 3.46Å; F77-F107 VanDerWaalsContact CD2-CE1 3.46Å; F77-F107 HydrophobicContact CD2-CZ 4.11Å; F77-F107 HydrophobicContact CE2-CD1 4.16Å; F77-F107 AromaticContact CE2-CE1 3.76Å; F77-F107 HydrophobicContact CE2-CE1 3.76Å; F77-F107 HydrophobicContact CG-CE1 4.39Å; F77-L114 HydrophobicContact CE2-CD1 4.29Å
78P87.3Confident73.8Confident17 Ų1798 Ų9811%0.1152%0.517CS..PPolyproline II helixtrans-55.4134.8-173.9-29.935.8000114.2H60 F107H60-P78 PolarHBondContact NE2-O 3.08Å; P78-F107 HydrophobicContact CG-CB 3.57Å; P78-F107 HydrophobicContact CG-CD1 3.96Å; P78-F107 HydrophobicContact CG-CD2 3.98Å; P78-F107 HydrophobicContact CG-CG 3.56Å
79P82.8Confident73.7Confident114 Ų11492.8 Ų92.874%0.7450%0.499SS*.PPolyproline II helixtrans-66.6158.7170.230.8-34.8000110.6
80F90.3Very high73.9Confident38 Ų3890.8 Ų90.817%0.16749%0.488CS..  trans-136.3135.2-178.6-142.2-106.2000111.3Y53 F56 R57 H60 C100 L104Y53-F80 HydrophobicContact CD2-CE1 4.28Å; Y53-F80 HydrophobicContact CE1-CE1 4.49Å; Y53-F80 HydrophobicContact CE2-CD1 4.19Å; Y53-F80 AromaticContact CE2-CE1 3.31Å; Y53-F80 HydrophobicContact CE2-CE1 3.31Å; Y53-F80 AromaticContact CE2-CZ 3.71Å; Y53-F80 HydrophobicContact CE2-CZ 3.71Å; Y53-F80 AromaticContact CZ-CD1 3.9Å; Y53-F80 AromaticContact CZ-CE1 3.42Å; Y53-F80 VanDerWaalsContact CZ-CE1 3.42Å; Y53-F80 WeakPolarHBondContact OH-CD1 3.27Å; Y53-F80 WeakPolarHBondContact OH-CE1 3.19Å; F56-F80 HydrophobicContact CB-CE1 4.48Å; F56-F80 HydrophobicContact CB-CZ 3.82Å; R57-F80 HydrophobicContact CG-CD1 3.79Å; R57-F80 HydrophobicContact CG-CE1 3.48Å; R57-F80 VanDerWaalsContact CG-CE1 3.48Å; H60-F80 HydrophobicContact CB-CD2 4.3Å; H60-F80 HydrophobicContact CB-CE2 4.47Å; H60-F80 HydrophobicContact CB-CG 4.34Å; H60-F80 AromaticContact CD2-CD2 3.36Å; H60-F80 WeakPolarHBondContact CD2-CD2 3.19Å; H60-F80 AromaticContact CD2-CG 3.64Å; H60-F80 AromaticContact CG-CD2 3.95Å; H60-F80 AromaticContact CG-CG 3.91Å; F80-C100 HydrophobicContact CD2-CB 4.24Å; F80-C100 HydrophobicContact CE2-CB 4.42Å; F80-C100 WeakPolarHBondContact CE2-O 3.33Å; F80-L104 HydrophobicContact CD2-CD2 4.35Å; F80-L104 HydrophobicContact CE2-CB 4.17Å; F80-L104 HydrophobicContact CE2-CD2 3.73Å; F80-L104 HydrophobicContact CZ-CD2 4.37Å
81A86.5Confident74.1Confident13 Ų1394.5 Ų94.511%0.10750%0.5CS..  trans-58147-174.300000113.3Y53 R57 E96Y53-A81 WeakPolarHBondContact OH-CB 3.3Å; Y53-A81 PolarHBondContact OH-O 3.4Å; R57-A81 PolarHBondContact NH2-O 2.88Å; A81-E96 HydrophobicContact CB-CG 3.83Å; A81-E96 VanDerWaalsContact CB-OE1 3.28Å; A81-E96 WeakPolarHBondContact CB-OE1 3.36Å
82K78.1Confident74.8Confident179 Ų17997.4 Ų97.478%0.77852%0.52SS*.  trans-80.4162.1-178.4-72.8-177.7-178.7174.60112.3R57 K84R57-K82 PolarHBondContact NH2-O 3.49Å; K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.07Å
83A74.1Confident76.2Confident63 Ų6392.7 Ų92.752%0.52149%0.487SS..  trans-8078.7-173.300000111.9V85A83-V85 PolarHBondContact O-N 3.32Å; A83-V85 VanDerWaalsContact O-N 3.08Å
84K76.7Confident77.7Confident94 Ų9485.2 Ų85.241%0.40945%0.453SS..  trans-63.8102162.9-63.6173.1-179.4168.60108.4K82 F86 R88 V93 E96 R97K82-K84 VanDerWaalsContact C-N 3.34Å; K82-K84 PolarHBondContact O-N 3.07Å; K84-F86 CarbonylContact C-O 3.55Å; K84-F86 WeakPolarHBondContact CB-O 3.2Å; K84-R88 VanDerWaalsContact O-CB 3.28Å; K84-R88 WeakPolarHBondContact O-CB 3.4Å; K84-V93 HydrophobicContact CB-CG1 4.18Å; K84-V93 HydrophobicContact CD-CB 4.37Å; K84-V93 HydrophobicContact CD-CG1 3.79Å; K84-V93 HydrophobicContact CD-CG2 3.6Å; K84-E96 IonicContact NZ-OE1 3.64Å; K84-E96 IonicContact NZ-OE2 3.04Å; K84-E96 PolarHBondContact NZ-OE2 3.27Å; K84-R97 PolarHBondContact O-NH2 3.06Å
85V62.9Low78.9Confident93 Ų9383.8 Ų83.856%0.56443%0.434SS*.SBendtrans-84-43.8178.4176.50000110.7A83 R88A83-V85 PolarHBondContact O-N 3.32Å; A83-V85 VanDerWaalsContact O-N 3.08Å; V85-R88 WeakPolarHBondContact O-CB 3.41Å; V85-R88 WeakPolarHBondContact O-CD 3.22Å; V85-R88 WeakPolarHBondContact O-CG 3.3Å; V85-R88 PolarHBondContact O-NH1 2.78Å
86F57.9Low79.7Confident188 Ų18882 Ų8283%0.82543%0.426SS*.SBendtrans-76.5156.8156.6-53.7-80.9000108.9K84 R88K84-F86 CarbonylContact C-O 3.55Å; K84-F86 WeakPolarHBondContact CB-O 3.2Å; F86-R88 PolarHBondContact O-N 3.03Å
87G72.8Confident80.2Confident27 Ų2775 Ų7528%0.27839%0.388SS..SBendtrans6121.7-175.900000114.5F89 D90 V93G87-F89 VanDerWaalsContact C-N 3.32Å; G87-F89 PolarHBondContact O-N 3.41Å; G87-D90 WeakPolarHBondContact CA-OD1 3.49Å; G87-D90 WeakPolarHBondContact CA-OD2 3.32Å; G87-V93 WeakPolarHBondContact O-CB 3.32Å; G87-V93 WeakPolarHBondContact O-CG1 3.45Å; G87-V93 WeakPolarHBondContact O-CG2 3.35Å
88R74.6Confident80.5Confident103 Ų10375 Ų7539%0.38939%0.387SS..THydrogen-bonded Turntrans-82.7-6.7-166.878.5168.9-177.2-94.96.2114.9G25 K84 V85 F86 R97G25-R88 PolarHBondContact O-NH2 2.98Å; K84-R88 VanDerWaalsContact O-CB 3.28Å; K84-R88 WeakPolarHBondContact O-CB 3.4Å; V85-R88 WeakPolarHBondContact O-CB 3.41Å; V85-R88 WeakPolarHBondContact O-CD 3.22Å; V85-R88 WeakPolarHBondContact O-CG 3.3Å; V85-R88 PolarHBondContact O-NH1 2.78Å; F86-R88 PolarHBondContact O-N 3.03Å; R88-R97 PolarHBondContact O-NH1 3.11Å
89F82.5Confident80.4Confident67 Ų6777.7 Ų77.729%0.29440%0.398SS..THydrogen-bonded Turntrans-114.7-3.3178-60-70.1000112.1R21 G25 G87 I94R21-F89 HydrophobicContact CG-CE1 4.33Å; G25-F89 WeakPolarHBondContact O-CZ 3.13Å; G87-F89 VanDerWaalsContact C-N 3.32Å; G87-F89 PolarHBondContact O-N 3.41Å; F89-I94 VanDerWaalsContact O-CD1 3.26Å; F89-I94 WeakPolarHBondContact O-CD1 3.39Å
90D81.9Confident80.7Confident84 Ų8472.9 Ų72.945%0.44937%0.367SS..  trans-63.4135.4179.9-43.72.6000108.3G87 S92 V93 I94G87-D90 WeakPolarHBondContact CA-OD1 3.49Å; G87-D90 WeakPolarHBondContact CA-OD2 3.32Å; D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 PolarHBondContact O-N 3.28Å; D90-V93 HydrophobicContact CB-CB 4.29Å; D90-V93 HydrophobicContact CB-CG2 4.14Å; D90-V93 CarbonylContact O-C 3.5Å; D90-V93 WeakPolarHBondContact O-CA 3.35Å; D90-V93 WeakPolarHBondContact O-CB 3.41Å; D90-V93 PolarHBondContact O-N 3.39Å; D90-I94 PolarHBondContact O-N 3.18Å
91E79.1Confident80.9Confident170 Ų17071 Ų7179%0.79436%0.359SS*.Hα-helixtrans-59.5-42.6-169.3-173.8168.7-156.500112.5V93 I94 E95E91-V93 PolarHBondContact O-N 3Å; E91-I94 PolarHBondContact O-N 2.88Å; E91-I94 VanDerWaalsContact O-N 3.11Å; E91-E95 WeakPolarHBondContact O-CB 3.4Å; E91-E95 PolarHBondContact O-N 3.38Å
92S81Confident81Confident90 Ų9072.1 Ų72.163%0.62936%0.362SS*.Hα-helixtrans-58.6-31.6173.460.60000113.5D90 E96D90-S92 VanDerWaalsContact C-N 3.32Å; D90-S92 PolarHBondContact O-N 3.28Å; S92-E96 VanDerWaalsContact O-CB 3.23Å; S92-E96 WeakPolarHBondContact O-CB 3.41Å; S92-E96 PolarHBondContact O-N 3.23Å
93V84.8Confident81.5Confident5 Ų567.1 Ų67.13%0.0334%0.343CS..Hα-helixtrans-84.7-26.7178.3177.60000111.7K84 G87 D90 E91 R97K84-V93 HydrophobicContact CB-CG1 4.18Å; K84-V93 HydrophobicContact CD-CB 4.37Å; K84-V93 HydrophobicContact CD-CG1 3.79Å; K84-V93 HydrophobicContact CD-CG2 3.6Å; G87-V93 WeakPolarHBondContact O-CB 3.32Å; G87-V93 WeakPolarHBondContact O-CG1 3.45Å; G87-V93 WeakPolarHBondContact O-CG2 3.35Å; D90-V93 HydrophobicContact CB-CB 4.29Å; D90-V93 HydrophobicContact CB-CG2 4.14Å; D90-V93 CarbonylContact O-C 3.5Å; D90-V93 WeakPolarHBondContact O-CA 3.35Å; D90-V93 WeakPolarHBondContact O-CB 3.41Å; D90-V93 PolarHBondContact O-N 3.39Å; E91-V93 PolarHBondContact O-N 3Å; V93-R97 VanDerWaalsContact CG1-CZ 3.44Å; V93-R97 WeakPolarHBondContact O-CD 3.05Å; V93-R97 WeakPolarHBondContact O-CG 3.16Å; V93-R97 PolarHBondContact O-N 3.35Å
94I85.1Confident82.3Confident28 Ų2864.1 Ų64.114%0.14432%0.319CS..Hα-helixtrans-69.9-44.7168.8-69.8177.6000109.6P19 T27 Y29 F89 D90 E91 R97 R98P19-I94 HydrophobicContact CB-CG2 3.47Å; P19-I94 VanDerWaalsContact CB-CG2 3.47Å; P19-I94 HydrophobicContact CG-CG2 3.95Å; T27-I94 HydrophobicContact CG2-CD1 4.35Å; T27-I94 HydrophobicContact CG2-CG1 4.49Å; T27-I94 HydrophobicContact CG2-CG2 4.4Å; Y29-I94 HydrophobicContact CE1-CG2 4Å; F89-I94 VanDerWaalsContact O-CD1 3.26Å; F89-I94 WeakPolarHBondContact O-CD1 3.39Å; D90-I94 PolarHBondContact O-N 3.18Å; E91-I94 PolarHBondContact O-N 2.88Å; E91-I94 VanDerWaalsContact O-N 3.11Å; I94-R97 WeakPolarHBondContact O-CB 3.39Å; I94-R97 PolarHBondContact O-N 3.24Å; I94-R98 PolarHBondContact O-N 3.42Å
95E83.4Confident83.1Confident81 Ų8159.7 Ų59.738%0.37930%0.299SS..Hα-helixtrans-71.7-40.9-178.6-174.155.4-159.900112.6E91 R97 R98 Q99E91-E95 WeakPolarHBondContact O-CB 3.4Å; E91-E95 PolarHBondContact O-N 3.38Å; E95-R97 PolarHBondContact O-N 2.86Å; E95-R97 VanDerWaalsContact O-N 3.15Å; E95-R98 VanDerWaalsContact CD-NE 3.26Å; E95-R98 PolarHBondContact O-N 3.08Å; E95-R98 VanDerWaalsContact O-N 3.08Å; E95-R98 IonicContact OE1-CZ 3.8Å; E95-R98 VanDerWaalsContact OE1-CZ 3.27Å; E95-R98 IonicContact OE1-NE 3.87Å; E95-R98 PolarHBondContact OE1-NE 2.89Å; E95-R98 IonicContact OE1-NH2 3.21Å; E95-R98 PolarHBondContact OE1-NH2 2.85Å; E95-R98 VanDerWaalsContact OE2-CD 3.27Å; E95-R98 WeakPolarHBondContact OE2-CD 3.46Å; E95-R98 IonicContact OE2-CZ 3.57Å; E95-R98 IonicContact OE2-NE 2.77Å; E95-R98 PolarHBondContact OE2-NE 3.2Å; E95-Q99 PolarHBondContact O-N 2.95Å
96E86.6Confident84.2Confident72 Ų7258 Ų5834%0.33629%0.285SS..Hα-helixtrans-51.1-38.8169.3-177.4-166.1176.300111.4A81 K84 S92 C100A81-E96 HydrophobicContact CB-CG 3.83Å; A81-E96 VanDerWaalsContact CB-OE1 3.28Å; A81-E96 WeakPolarHBondContact CB-OE1 3.36Å; K84-E96 IonicContact NZ-OE1 3.64Å; K84-E96 IonicContact NZ-OE2 3.04Å; K84-E96 PolarHBondContact NZ-OE2 3.27Å; S92-E96 VanDerWaalsContact O-CB 3.23Å; S92-E96 WeakPolarHBondContact O-CB 3.41Å; S92-E96 PolarHBondContact O-N 3.23Å; E96-C100 PolarHBondContact O-N 3.44Å
97R90.5Very high85.6Confident17 Ų1750.4 Ų50.46%0.06425%0.252CS..Hα-helixtrans-80.2-33.8179.5-70.4171.1-176.3161.51.8113.2Y53 K84 R88 V93 I94 E95 S101Y53-R97 HydrophobicContact CD1-CG 4.09Å; Y53-R97 HydrophobicContact CD2-CB 3.65Å; Y53-R97 HydrophobicContact CD2-CG 3.79Å; Y53-R97 HydrophobicContact CE1-CG 3.9Å; Y53-R97 HydrophobicContact CE2-CB 3.66Å; Y53-R97 HydrophobicContact CE2-CG 3.6Å; Y53-R97 HydrophobicContact CG-CB 4.25Å; Y53-R97 HydrophobicContact CG-CG 4.05Å; K84-R97 PolarHBondContact O-NH2 3.06Å; R88-R97 PolarHBondContact O-NH1 3.11Å; V93-R97 VanDerWaalsContact CG1-CZ 3.44Å; V93-R97 WeakPolarHBondContact O-CD 3.05Å; V93-R97 WeakPolarHBondContact O-CG 3.16Å; V93-R97 PolarHBondContact O-N 3.35Å; I94-R97 WeakPolarHBondContact O-CB 3.39Å; I94-R97 PolarHBondContact O-N 3.24Å; E95-R97 PolarHBondContact O-N 2.86Å; E95-R97 VanDerWaalsContact O-N 3.15Å; R97-S101 WeakPolarHBondContact O-CB 3.31Å; R97-S101 PolarHBondContact O-N 3.17Å; R97-S101 PolarHBondContact O-OG 2.79Å
98R91.2Very high86.3Confident33 Ų3349.1 Ų49.113%0.12524%0.239CC..Hα-helixtrans-62.8-55.3175-166.7-158.165.763.510.4109.2V16 Y29 I94 E95 S101 E102V16-R98 HydrophobicContact CB-CG 4.23Å; V16-R98 HydrophobicContact CG1-CG 3.92Å; V16-R98 WeakPolarHBondContact O-CD 3.5Å; V16-R98 WeakPolarHBondContact O-CG 3.44Å; V16-R98 PolarHBondContact O-NH1 2.86Å; Y29-R98 HydrophobicContact CD1-CB 4.2Å; Y29-R98 HydrophobicContact CD1-CG 4.22Å; Y29-R98 HydrophobicContact CE1-CB 4.06Å; I94-R98 PolarHBondContact O-N 3.42Å; E95-R98 VanDerWaalsContact CD-NE 3.26Å; E95-R98 PolarHBondContact O-N 3.08Å; E95-R98 VanDerWaalsContact O-N 3.08Å; E95-R98 IonicContact OE1-CZ 3.8Å; E95-R98 VanDerWaalsContact OE1-CZ 3.27Å; E95-R98 IonicContact OE1-NE 3.87Å; E95-R98 PolarHBondContact OE1-NE 2.89Å; E95-R98 IonicContact OE1-NH2 3.21Å; E95-R98 PolarHBondContact OE1-NH2 2.85Å; E95-R98 VanDerWaalsContact OE2-CD 3.27Å; E95-R98 WeakPolarHBondContact OE2-CD 3.46Å; E95-R98 IonicContact OE2-CZ 3.57Å; E95-R98 IonicContact OE2-NE 2.77Å; E95-R98 PolarHBondContact OE2-NE 3.2Å; R98-S101 WeakPolarHBondContact O-CB 3.31Å; R98-S101 PolarHBondContact O-N 3.31Å; R98-E102 IonicContact CZ-OE2 2.71Å; R98-E102 VanDerWaalsContact NH1-CD 3.3Å; R98-E102 IonicContact NH1-OE1 2.63Å; R98-E102 PolarHBondContact NH1-OE1 2.79Å; R98-E102 IonicContact NH1-OE2 3.57Å; R98-E102 PolarHBondContact NH1-OE2 2.8Å; R98-E102 IonicContact NH2-OE2 2.78Å; R98-E102 PolarHBondContact O-N 3.31Å
99Q85.6Confident86.8Confident73 Ų7344.7 Ų44.734%0.34122%0.224SC..Hα-helixtrans-60.4-52.5-177.9-168.160.457.800112.1E95 S101 E102 D103E95-Q99 PolarHBondContact O-N 2.95Å; Q99-S101 PolarHBondContact O-N 2.92Å; Q99-S101 VanDerWaalsContact O-N 3.07Å; Q99-E102 WeakPolarHBondContact O-CB 3.45Å; Q99-E102 PolarHBondContact O-N 2.82Å; Q99-D103 PolarHBondContact NE2-OD1 2.56Å; Q99-D103 PolarHBondContact O-N 2.82Å
100C89.5Confident86.7Confident12 Ų1247.2 Ų47.28%0.08124%0.241CC..Hα-helixtrans-65-21.3-17884.30000113.3F80 E96 L104F80-C100 HydrophobicContact CD2-CB 4.24Å; F80-C100 HydrophobicContact CE2-CB 4.42Å; F80-C100 WeakPolarHBondContact CE2-O 3.33Å; E96-C100 PolarHBondContact O-N 3.44Å; C100-L104 WeakPolarHBondContact O-CB 3.4Å; C100-L104 PolarHBondContact O-N 2.97Å
101S93.1Very high86.7Confident0 Ų044.1 Ų44.10%022%0.224CC..Hα-helixtrans-78.9-35.8174.2-61.70000112.5R97 R98 Q99 L105R97-S101 WeakPolarHBondContact O-CB 3.31Å; R97-S101 PolarHBondContact O-N 3.17Å; R97-S101 PolarHBondContact O-OG 2.79Å; R98-S101 WeakPolarHBondContact O-CB 3.31Å; R98-S101 PolarHBondContact O-N 3.31Å; Q99-S101 PolarHBondContact O-N 2.92Å; Q99-S101 VanDerWaalsContact O-N 3.07Å; S101-L105 WeakPolarHBondContact O-CG 3.45Å; S101-L105 PolarHBondContact O-N 2.94Å
102E90.1Very high86.9Confident35 Ų3539.7 Ų39.716%0.16421%0.21CC..Hα-helixtrans-68.8-48.2173-168163.3-110.400111T15 V16 R98 Q99 L104 L105 Q106T15-E102 VanDerWaalsContact CA-OE1 3.24Å; T15-E102 WeakPolarHBondContact CA-OE1 3.33Å; V16-E102 HydrophobicContact CB-CB 4.12Å; V16-E102 HydrophobicContact CG2-CB 3.9Å; V16-E102 HydrophobicContact CG2-CG 4.4Å; V16-E102 PolarHBondContact N-OE1 2.84Å; R98-E102 IonicContact CZ-OE2 2.71Å; R98-E102 VanDerWaalsContact NH1-CD 3.3Å; R98-E102 IonicContact NH1-OE1 2.63Å; R98-E102 PolarHBondContact NH1-OE1 2.79Å; R98-E102 IonicContact NH1-OE2 3.57Å; R98-E102 PolarHBondContact NH1-OE2 2.8Å; R98-E102 IonicContact NH2-OE2 2.78Å; R98-E102 PolarHBondContact O-N 3.31Å; Q99-E102 WeakPolarHBondContact O-CB 3.45Å; Q99-E102 PolarHBondContact O-N 2.82Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 2.99Å; E102-L105 PolarHBondContact O-N 2.94Å; E102-L105 VanDerWaalsContact O-N 3.08Å; E102-Q106 WeakPolarHBondContact O-CB 3.44Å; E102-Q106 PolarHBondContact O-N 3.03Å
103D87.6Confident86.9Confident74 Ų7437.3 Ų37.340%0.39620%0.196SC..Hα-helixtrans-54.9-43.8176.8-59.8-26.5000112Q99 F107Q99-D103 PolarHBondContact NE2-OD1 2.56Å; Q99-D103 PolarHBondContact O-N 2.82Å; D103-F107 WeakPolarHBondContact O-CB 3.16Å; D103-F107 PolarHBondContact O-N 2.72Å
104L92.3Very high86.9Confident1 Ų137.1 Ų37.11%0.00520%0.195CC..Hα-helixtrans-60.9-45.7176.5171.163.6000112.2H60 L63 F77 F80 C100 E102 S108H60-L104 HydrophobicContact CB-CD2 3.69Å; L63-L104 HydrophobicContact CD1-CD1 4.11Å; L63-L104 HydrophobicContact CD1-CG 4.49Å; F77-L104 HydrophobicContact CE1-CD1 4.1Å; F77-L104 HydrophobicContact CZ-CD1 3.79Å; F80-L104 HydrophobicContact CD2-CD2 4.35Å; F80-L104 HydrophobicContact CE2-CB 4.17Å; F80-L104 HydrophobicContact CE2-CD2 3.73Å; F80-L104 HydrophobicContact CZ-CD2 4.37Å; C100-L104 WeakPolarHBondContact O-CB 3.4Å; C100-L104 PolarHBondContact O-N 2.97Å; E102-L104 VanDerWaalsContact C-N 3.29Å; E102-L104 PolarHBondContact O-N 2.99Å; L104-S108 PolarHBondContact O-N 3.37Å
105L91.6Very high86.9Confident0 Ų037.2 Ų37.20%019%0.193CC..Hα-helixtrans-69.8-44-179-73.6170.4000110.7Y14 V16 V31 F56 L59 S101 E102 F107 S108 A109 I120 F124Y14-L105 HydrophobicContact CD1-CB 4.41Å; Y14-L105 HydrophobicContact CD2-CB 3.9Å; Y14-L105 WeakPolarHBondContact CD2-O 3.45Å; Y14-L105 WeakPolarHBondContact CE2-O 3.45Å; Y14-L105 HydrophobicContact CG-CB 3.73Å; V16-L105 HydrophobicContact CG2-CD1 3.96Å; V31-L105 HydrophobicContact CG1-CD1 3.49Å; V31-L105 VanDerWaalsContact CG1-CD1 3.49Å; F56-L105 HydrophobicContact CD1-CD1 4.45Å; F56-L105 HydrophobicContact CE1-CD1 4.03Å; L59-L105 HydrophobicContact CD2-CD2 3.64Å; S101-L105 WeakPolarHBondContact O-CG 3.45Å; S101-L105 PolarHBondContact O-N 2.94Å; E102-L105 PolarHBondContact O-N 2.94Å; E102-L105 VanDerWaalsContact O-N 3.08Å; L105-F107 PolarHBondContact O-N 3.09Å; L105-S108 WeakPolarHBondContact O-CA 3.12Å; L105-S108 WeakPolarHBondContact O-CB 3.32Å; L105-S108 PolarHBondContact O-N 3.35Å; L105-S108 PolarHBondContact O-OG 3.42Å; L105-A109 PolarHBondContact O-N 2.98Å; L105-I120 HydrophobicContact CD2-CD1 3.98Å; L105-F124 HydrophobicContact CD2-CE2 4.2Å; L105-F124 HydrophobicContact CD2-CZ 4.37Å
106Q86.8Confident86.9Confident57 Ų5735 Ų3527%0.26619%0.187SC..Hα-helixtrans-68.3-34.5179.2-165.959.616.800112.3E102 S108 A109E102-Q106 WeakPolarHBondContact O-CB 3.44Å; E102-Q106 PolarHBondContact O-N 3.03Å; Q106-S108 VanDerWaalsContact C-N 3.35Å; Q106-A109 VanDerWaalsContact O-CB 3.32Å; Q106-A109 WeakPolarHBondContact O-CB 3.48Å; Q106-A109 PolarHBondContact O-N 2.81Å
107F87.4Confident87Confident29 Ų2932 Ų3213%0.12717%0.174CC..Hα-helixtrans-60-43.8166.6178.8-96.3000111.6Y67 E75 F77 P78 D103 L105 A109 N110 I111 L114Y67-F107 HydrophobicContact CD2-CE1 4.01Å; Y67-F107 HydrophobicContact CD2-CZ 4.07Å; Y67-F107 HydrophobicContact CE2-CE1 4.16Å; Y67-F107 AromaticContact CE2-CZ 3.73Å; Y67-F107 HydrophobicContact CE2-CZ 3.73Å; E75-F107 HydrophobicContact CB-CE2 4.36Å; F77-F107 HydrophobicContact CD2-CD1 4.18Å; F77-F107 AromaticContact CD2-CE1 3.46Å; F77-F107 HydrophobicContact CD2-CE1 3.46Å; F77-F107 VanDerWaalsContact CD2-CE1 3.46Å; F77-F107 HydrophobicContact CD2-CZ 4.11Å; F77-F107 HydrophobicContact CE2-CD1 4.16Å; F77-F107 AromaticContact CE2-CE1 3.76Å; F77-F107 HydrophobicContact CE2-CE1 3.76Å; F77-F107 HydrophobicContact CG-CE1 4.39Å; P78-F107 HydrophobicContact CG-CB 3.57Å; P78-F107 HydrophobicContact CG-CD1 3.96Å; P78-F107 HydrophobicContact CG-CD2 3.98Å; P78-F107 HydrophobicContact CG-CG 3.56Å; D103-F107 WeakPolarHBondContact O-CB 3.16Å; D103-F107 PolarHBondContact O-N 2.72Å; L105-F107 PolarHBondContact O-N 3.09Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 2.97Å; F107-N110 PolarHBondContact O-N 3.22Å; F107-I111 HydrophobicContact CD1-CD1 4.37Å; F107-I111 HydrophobicContact CE1-CD1 3.64Å; F107-I111 HydrophobicContact CE2-CD1 4.1Å; F107-I111 HydrophobicContact CZ-CD1 3.5Å; F107-I111 VanDerWaalsContact CZ-CD1 3.5Å; F107-L114 HydrophobicContact CD1-CD1 4.08Å; F107-L114 HydrophobicContact CE1-CD1 3.81Å
108S87.9Confident87Confident0 Ų036 Ų360%019%0.193CC..Hα-helixtrans-63.8-29.4177.386.30000113.4L104 L105 Q106 N110 I111 Y115L104-S108 PolarHBondContact O-N 3.37Å; L105-S108 WeakPolarHBondContact O-CA 3.12Å; L105-S108 WeakPolarHBondContact O-CB 3.32Å; L105-S108 PolarHBondContact O-N 3.35Å; L105-S108 PolarHBondContact O-OG 3.42Å; Q106-S108 VanDerWaalsContact C-N 3.35Å; S108-N110 VanDerWaalsContact C-N 3.28Å; S108-N110 PolarHBondContact O-N 3.5Å; S108-I111 PolarHBondContact O-N 3.32Å; S108-Y115 PolarHBondContact O-N 3.09Å
109A84.9Confident87Confident10 Ų1037.3 Ų37.38%0.08320%0.201CC..Hα-helixtrans-63.7-31.3177.700000113.3R12 Y14 L105 Q106 F107 Y115R12-A109 HydrophobicContact CB-CB 4.21Å; Y14-A109 HydrophobicContact CD2-CB 3.93Å; Y14-A109 HydrophobicContact CE2-CB 3.71Å; L105-A109 PolarHBondContact O-N 2.98Å; Q106-A109 VanDerWaalsContact O-CB 3.32Å; Q106-A109 WeakPolarHBondContact O-CB 3.48Å; Q106-A109 PolarHBondContact O-N 2.81Å; F107-A109 VanDerWaalsContact C-N 3.26Å; F107-A109 PolarHBondContact O-N 2.97Å; A109-Y115 WeakPolarHBondContact O-CD1 3.46Å; A109-Y115 WeakPolarHBondContact O-CE1 3.37Å
110N80.2Confident87.3Confident120 Ų12034.2 Ų34.264%0.64219%0.186SC*.Hα-helixtrans-80.7-22.1-177.9-68.7-29.3000113F107 S108 P112F107-N110 PolarHBondContact O-N 3.22Å; S108-N110 VanDerWaalsContact C-N 3.28Å; S108-N110 PolarHBondContact O-N 3.5Å; N110-P112 WeakPolarHBondContact O-CD 3.33Å
111I82.9Confident87.3Confident19 Ų1938.6 Ų38.610%0.09721%0.205CC..  trans-108.3111.1-171.6-56.2-174.9000110.8Y67 F107 S108 A113 L114 Y115Y67-I111 HydrophobicContact CD2-CD1 3.93Å; Y67-I111 HydrophobicContact CE2-CD1 3.66Å; F107-I111 HydrophobicContact CD1-CD1 4.37Å; F107-I111 HydrophobicContact CE1-CD1 3.64Å; F107-I111 HydrophobicContact CE2-CD1 4.1Å; F107-I111 HydrophobicContact CZ-CD1 3.5Å; F107-I111 VanDerWaalsContact CZ-CD1 3.5Å; S108-I111 PolarHBondContact O-N 3.32Å; I111-A113 HydrophobicContact CG2-CB 4.33Å; I111-A113 PolarHBondContact O-N 3Å; I111-A113 VanDerWaalsContact O-N 3.1Å; I111-L114 HydrophobicContact CB-CB 4.25Å; I111-L114 HydrophobicContact CB-CD1 4.14Å; I111-L114 HydrophobicContact CB-CG 4.02Å; I111-L114 HydrophobicContact CD1-CD1 4.06Å; I111-L114 HydrophobicContact CG2-CB 4.46Å; I111-L114 HydrophobicContact CG2-CD1 4.35Å; I111-L114 HydrophobicContact CG2-CG 3.9Å; I111-L114 PolarHBondContact O-N 3.39Å; I111-Y115 WeakPolarHBondContact O-CD1 3.22Å; I111-Y115 PolarHBondContact O-N 2.6Å
112P81.7Confident87.1Confident77 Ų7742.2 Ų42.250%0.523%0.225SC..Hα-helixtrans-54.9-33-176.6-29.336.2000115.9N110 L114 Y115 S116N110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-L114 VanDerWaalsContact C-N 3.33Å; P112-Y115 VanDerWaalsContact CA-CE1 3.42Å; P112-Y115 HydrophobicContact CB-CE1 4.15Å; P112-Y115 HydrophobicContact CG-CE1 4.1Å; P112-S116 WeakPolarHBondContact O-CB 3.26Å; P112-S116 PolarHBondContact O-N 3.2Å; P112-S116 PolarHBondContact O-OG 3.23Å
113A81.6Confident87.2Confident40 Ų4041.2 Ų41.233%0.33122%0.22SC..Hα-helixtrans-69.1-28.3176.100000113.5V70 I111V70-A113 HydrophobicContact CB-CB 4.31Å; V70-A113 HydrophobicContact CG1-CB 3.7Å; I111-A113 HydrophobicContact CG2-CB 4.33Å; I111-A113 PolarHBondContact O-N 3Å; I111-A113 VanDerWaalsContact O-N 3.1Å
114L84.8Confident87.4Confident1 Ų138.7 Ų38.71%0.00521%0.206CC..Hα-helixtrans-87.9-51.4-178.2-59.7-171.9000111.6L63 L66 Y67 F77 F107 I111 P112 S116 S117 I120L63-L114 HydrophobicContact CD2-CB 4.21Å; L63-L114 HydrophobicContact CD2-CD2 4.13Å; L66-L114 HydrophobicContact CB-CD2 3.95Å; Y67-L114 HydrophobicContact CD2-CD1 4.19Å; F77-L114 HydrophobicContact CE2-CD1 4.29Å; F107-L114 HydrophobicContact CD1-CD1 4.08Å; F107-L114 HydrophobicContact CE1-CD1 3.81Å; I111-L114 HydrophobicContact CB-CB 4.25Å; I111-L114 HydrophobicContact CB-CD1 4.14Å; I111-L114 HydrophobicContact CB-CG 4.02Å; I111-L114 HydrophobicContact CD1-CD1 4.06Å; I111-L114 HydrophobicContact CG2-CB 4.46Å; I111-L114 HydrophobicContact CG2-CD1 4.35Å; I111-L114 HydrophobicContact CG2-CG 3.9Å; I111-L114 PolarHBondContact O-N 3.39Å; P112-L114 VanDerWaalsContact C-N 3.33Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.28Å; L114-S117 WeakPolarHBondContact O-CB 3.4Å; L114-S117 PolarHBondContact O-N 3.04Å; L114-S117 PolarHBondContact O-OG 3.16Å; L114-I120 WeakPolarHBondContact O-CG1 3.41Å
115Y84.9Confident87.2Confident30 Ų3046 Ų4612%0.11824%0.237CC..Hα-helixtrans-66.5-27.5177.168.6-115000113.5R7 R12 S108 A109 I111 P112 S117R7-Y115 PolarHBondContact O-OH 3.19Å; R7-Y115 VanDerWaalsContact O-OH 3.12Å; R12-Y115 VanDerWaalsContact CZ-CD2 3.48Å; R12-Y115 VanDerWaalsContact NH1-CE2 3.26Å; S108-Y115 PolarHBondContact O-N 3.09Å; A109-Y115 WeakPolarHBondContact O-CD1 3.46Å; A109-Y115 WeakPolarHBondContact O-CE1 3.37Å; I111-Y115 WeakPolarHBondContact O-CD1 3.22Å; I111-Y115 PolarHBondContact O-N 2.6Å; P112-Y115 VanDerWaalsContact CA-CE1 3.42Å; P112-Y115 HydrophobicContact CB-CE1 4.15Å; P112-Y115 HydrophobicContact CG-CE1 4.1Å; Y115-S117 PolarHBondContact O-N 3.06Å
116S83.4Confident86.7Confident34 Ų3449.9 Ų49.924%0.23828%0.277CS..THydrogen-bonded Turntrans-79.6-4.8174-61.10000113.5P112 L114 Q121P112-S116 WeakPolarHBondContact O-CB 3.26Å; P112-S116 PolarHBondContact O-N 3.2Å; P112-S116 PolarHBondContact O-OG 3.23Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 3.28Å; S116-Q121 PolarHBondContact O-NE2 2.87Å
117S89.4Confident86.5Confident9 Ų948.1 Ų48.16%0.06328%0.275CS..SBendtrans-66.5153.8-174.871.20000112.5L66 L114 Y115 H119 I120 Q121L66-S117 VanDerWaalsContact CD1-CB 3.4Å; L114-S117 WeakPolarHBondContact O-CB 3.4Å; L114-S117 PolarHBondContact O-N 3.04Å; L114-S117 PolarHBondContact O-OG 3.16Å; Y115-S117 PolarHBondContact O-N 3.06Å; S117-H119 PolarHBondContact O-N 3.26Å; S117-I120 PolarHBondContact O-N 3.21Å; S117-I120 PolarHBondContact OG-N 3.47Å; S117-Q121 PolarHBondContact O-N 2.98Å; S117-Q121 PolarHBondContact O-NE2 3.01Å
118Q89.7Confident86.3Confident103 Ų10352.6 Ų52.648%0.48130%0.296SS..Hα-helixtrans-62.7-29.6171.3-169.658.543.400111.4Q121 D122Q118-Q121 PolarHBondContact O-N 3.33Å; Q118-D122 PolarHBondContact NE2-OD1 2.88Å; Q118-D122 WeakPolarHBondContact O-CB 3.5Å; Q118-D122 VanDerWaalsContact O-CG 3.29Å; Q118-D122 PolarHBondContact O-N 2.87Å
119H92.4Very high86.1Confident60 Ų6058.3 Ų58.328%0.27833%0.325SS..Hα-helixtrans-68.4-36.8-178.4-53.3-45.7000113.3L59 N62 S117 F123L59-H119 HydrophobicContact CD1-CB 4.01Å; N62-H119 HydrophobicContact CB-CB 4.27Å; S117-H119 PolarHBondContact O-N 3.26Å; H119-F123 VanDerWaalsContact O-CB 3.24Å; H119-F123 WeakPolarHBondContact O-CB 3.49Å; H119-F123 PolarHBondContact O-N 2.79Å
120I91.6Very high85.6Confident8 Ų861.5 Ų61.54%0.04134%0.338CS..Hα-helixtrans-67.6-43.5171.1-74.1-73.7000110.3L59 L63 L105 L114 S117 D122 F123 F124L59-I120 HydrophobicContact CD1-CD1 4.09Å; L59-I120 HydrophobicContact CD1-CG1 4.41Å; L59-I120 HydrophobicContact CD2-CD1 4.06Å; L63-I120 HydrophobicContact CD1-CD1 4.23Å; L63-I120 HydrophobicContact CD2-CG1 4.25Å; L105-I120 HydrophobicContact CD2-CD1 3.98Å; L114-I120 WeakPolarHBondContact O-CG1 3.41Å; S117-I120 PolarHBondContact O-N 3.21Å; S117-I120 PolarHBondContact OG-N 3.47Å; I120-D122 PolarHBondContact O-N 3.14Å; I120-F123 PolarHBondContact O-N 2.6Å; I120-F124 HydrophobicContact CG2-CD2 4.17Å; I120-F124 HydrophobicContact CG2-CE2 4.48Å; I120-F124 WeakPolarHBondContact O-CD2 3.35Å; I120-F124 PolarHBondContact O-N 2.92Å
121Q88.4Confident85Confident103 Ų10360.6 Ų60.648%0.48133%0.333SS..Hα-helixtrans-62-42.3177.8-67.5173.764.300112.5S116 S117 Q118 K125S116-Q121 PolarHBondContact O-NE2 2.87Å; S117-Q121 PolarHBondContact O-N 2.98Å; S117-Q121 PolarHBondContact O-NE2 3.01Å; Q118-Q121 PolarHBondContact O-N 3.33Å; Q121-K125 WeakPolarHBondContact O-CB 3.41Å; Q121-K125 PolarHBondContact O-N 2.71Å
122D89.6Confident83.8Confident76 Ų7659.7 Ų59.741%0.40633%0.329SS..Hα-helixtrans-71-30.4176-70.2-21000112.3Q118 I120 K125Q118-D122 PolarHBondContact NE2-OD1 2.88Å; Q118-D122 WeakPolarHBondContact O-CB 3.5Å; Q118-D122 VanDerWaalsContact O-CG 3.29Å; Q118-D122 PolarHBondContact O-N 2.87Å; I120-D122 PolarHBondContact O-N 3.14Å; D122-K125 WeakPolarHBondContact O-CB 3.28Å; D122-K125 PolarHBondContact O-N 2.7Å
123F93.3Very high82.6Confident15 Ų1556.9 Ų56.97%0.06631%0.311CS..Hα-helixtrans-67.8-42.9175.6-173.4-91.8000111.8V31 V49 K51 F56 L59 H119 I120 K125V31-F123 HydrophobicContact CG1-CE1 4.29Å; V31-F123 HydrophobicContact CG2-CE1 4.27Å; V31-F123 HydrophobicContact CG2-CZ 4.42Å; V49-F123 HydrophobicContact CG2-CE1 4.45Å; K51-F123 HydrophobicContact CB-CE2 4.32Å; K51-F123 HydrophobicContact CB-CZ 3.88Å; K51-F123 HydrophobicContact CD-CE1 4.43Å; K51-F123 HydrophobicContact CD-CE2 4.18Å; K51-F123 HydrophobicContact CD-CZ 4.14Å; K51-F123 WeakPolarHBondContact CE-O 3.48Å; K51-F123 HydrophobicContact CG-CE1 3.87Å; K51-F123 HydrophobicContact CG-CE2 4.07Å; K51-F123 HydrophobicContact CG-CZ 3.57Å; K51-F123 PolarHBondContact NZ-O 2.86Å; F56-F123 HydrophobicContact CD1-CE2 4.18Å; F56-F123 AromaticContact CD1-CZ 3.59Å; F56-F123 HydrophobicContact CD1-CZ 3.59Å; F56-F123 HydrophobicContact CD2-CZ 4.49Å; F56-F123 HydrophobicContact CE1-CE1 4.39Å; F56-F123 AromaticContact CE1-CZ 3.71Å; F56-F123 HydrophobicContact CE1-CZ 3.71Å; F56-F123 HydrophobicContact CG-CE2 4.28Å; F56-F123 HydrophobicContact CG-CZ 4.04Å; F56-F123 HydrophobicContact CZ-CZ 4.26Å; L59-F123 HydrophobicContact CB-CD2 4.05Å; L59-F123 HydrophobicContact CB-CE2 4.33Å; L59-F123 HydrophobicContact CD1-CB 4.3Å; L59-F123 HydrophobicContact CD2-CB 4.37Å; L59-F123 HydrophobicContact CD2-CD1 4.19Å; L59-F123 HydrophobicContact CD2-CD2 3.79Å; L59-F123 HydrophobicContact CD2-CE1 4.41Å; L59-F123 HydrophobicContact CD2-CE2 4.04Å; L59-F123 HydrophobicContact CD2-CG 3.86Å; L59-F123 HydrophobicContact CD2-CZ 4.33Å; L59-F123 HydrophobicContact CG-CD2 4.36Å; H119-F123 VanDerWaalsContact O-CB 3.24Å; H119-F123 WeakPolarHBondContact O-CB 3.49Å; H119-F123 PolarHBondContact O-N 2.79Å; I120-F123 PolarHBondContact O-N 2.6Å; F123-K125 VanDerWaalsContact C-N 3.33Å
124F91.1Very high81.2Confident21 Ų2158.1 Ų58.19%0.09231%0.312CS..SBendtrans-86.72.6175.7-71.2-78.6000114.2Y14 V31 A33 I47 V49 L105 I120 G126 G127Y14-F124 AromaticContact CD1-CE2 3.97Å; Y14-F124 HydrophobicContact CD1-CE2 3.97Å; Y14-F124 AromaticContact CD1-CZ 3.6Å; Y14-F124 HydrophobicContact CD1-CZ 3.6Å; Y14-F124 HydrophobicContact CE1-CD2 4.37Å; Y14-F124 AromaticContact CE1-CE2 3.47Å; Y14-F124 HydrophobicContact CE1-CE2 3.47Å; Y14-F124 VanDerWaalsContact CE1-CE2 3.47Å; Y14-F124 AromaticContact CE1-CZ 3.58Å; Y14-F124 HydrophobicContact CE1-CZ 3.58Å; V31-F124 HydrophobicContact CB-CE1 4.23Å; V31-F124 HydrophobicContact CG1-CE1 3.69Å; V31-F124 HydrophobicContact CG1-CZ 3.62Å; A33-F124 HydrophobicContact CB-CD1 3.9Å; A33-F124 HydrophobicContact CB-CE1 3.52Å; A33-F124 HydrophobicContact CB-CE2 4.35Å; A33-F124 HydrophobicContact CB-CG 4.48Å; A33-F124 HydrophobicContact CB-CZ 3.78Å; I47-F124 HydrophobicContact CG2-CD1 4.42Å; V49-F124 HydrophobicContact CG1-CD1 4.27Å; V49-F124 HydrophobicContact CG2-CD1 3.5Å; V49-F124 HydrophobicContact CG2-CE1 3.61Å; V49-F124 HydrophobicContact CG2-CG 4.46Å; L105-F124 HydrophobicContact CD2-CE2 4.2Å; L105-F124 HydrophobicContact CD2-CZ 4.37Å; I120-F124 HydrophobicContact CG2-CD2 4.17Å; I120-F124 HydrophobicContact CG2-CE2 4.48Å; I120-F124 WeakPolarHBondContact O-CD2 3.35Å; I120-F124 PolarHBondContact O-N 2.92Å; F124-G126 PolarHBondContact O-N 2.8Å; F124-G127 PolarHBondContact O-N 2.85Å
125K88.5Confident79.7Confident153 Ų15359.5 Ų59.567%0.66532%0.319SS*.THydrogen-bonded Turntrans-64.1130.7177.9-171.2175.7-177.3176.60111.3Q121 D122 F123 G127Q121-K125 WeakPolarHBondContact O-CB 3.41Å; Q121-K125 PolarHBondContact O-N 2.71Å; D122-K125 WeakPolarHBondContact O-CB 3.28Å; D122-K125 PolarHBondContact O-N 2.7Å; F123-K125 VanDerWaalsContact C-N 3.33Å; K125-G127 VanDerWaalsContact C-N 3.33Å
126G80.4Confident78.1Confident82 Ų8258.3 Ų58.385%0.84532%0.315SS*.THydrogen-bonded Turntrans75.818.8-17700000114.1F124F124-G126 PolarHBondContact O-N 2.8Å
127G83.3Confident75.9Confident20 Ų2057.2 Ų57.221%0.20631%0.309CS..  trans-75.7153.5167.900000113.3I48 F124 K125I48-G127 CarbonylContact O-C 3.47Å; I48-G127 WeakPolarHBondContact O-CA 3.36Å; F124-G127 PolarHBondContact O-N 2.85Å; K125-G127 VanDerWaalsContact C-N 3.33Å
128E83.4Confident73.2Confident124 Ų12458.4 Ų58.458%0.57932%0.317SS*.EExtended strand (participates in β ladder)trans-72.6128.1169.8-73155.8-151.700107.8I47 I48I47-E128 CarbonylContact C-O 3.55Å; I47-E128 WeakPolarHBondContact CA-O 3.42Å; I48-E128 PolarHBondContact N-O 3.1Å; I48-E128 PolarHBondContact O-N 2.85Å
129I82.7Confident70.4Confident120 Ų12054.9 Ų54.962%0.61531%0.305SS*.EExtended strand (participates in β ladder)trans-106.3116.1179.4-54.1179000107.1E46 I47E46-I129 WeakPolarHBondContact O-CA 3.48Å; I47-I129 HydrophobicContact CG1-CG1 4.25Å; I47-I129 HydrophobicContact CG1-CG2 4.46Å; I47-I129 HydrophobicContact CG2-CG1 4.38Å
130H74.5Confident67.7Low77 Ų7756.8 Ų56.836%0.35631%0.314SS..EExtended strand (participates in β ladder)trans-103.3148.8174.4-55.6-89.7000109.2E46 G132E46-H130 HydrophobicContact CB-CB 4.42Å; E46-H130 PolarHBondContact N-O 3.24Å; E46-H130 VanDerWaalsContact N-O 3.11Å; E46-H130 PolarHBondContact O-N 3.02Å; H130-G132 PolarHBondContact O-N 3.48Å
131D68.6Low64.9Low100 Ų10059.6 Ų59.654%0.53533%0.333SS..EExtended strand (participates in β ladder)trans-66117.8160.6-177.86.8000107.7S133D131-S133 PolarHBondContact O-N 3.44Å; D131-S133 WeakPolarHBondContact OD1-CB 3.26Å; D131-S133 PolarHBondContact OD1-N 3.48Å; D131-S133 PolarHBondContact OD1-OG 3.36Å; D131-S133 PolarHBondContact OD2-OG 3.01Å
132G56.3Low62.2Low1 Ų163.5 Ų63.51%0.0135%0.349CS..G310 helixtrans-81.21.2179.900000112.9V44 H130 D134 L135V44-G132 CarbonylContact O-C 3.58Å; V44-G132 WeakPolarHBondContact O-CA 3.21Å; V44-G132 PolarHBondContact O-N 2.84Å; H130-G132 PolarHBondContact O-N 3.48Å; G132-D134 PolarHBondContact O-N 3.32Å; G132-L135 VanDerWaalsContact O-CB 3.26Å; G132-L135 WeakPolarHBondContact O-CB 3.44Å; G132-L135 PolarHBondContact O-N 3.29Å
133S57.4Low59.4Low18 Ų1864.8 Ų64.813%0.12636%0.364CS..G310 helixtrans-58.5-20.9168.7760000112.3D131 L135 I136 R409D131-S133 PolarHBondContact O-N 3.44Å; D131-S133 WeakPolarHBondContact OD1-CB 3.26Å; D131-S133 PolarHBondContact OD1-N 3.48Å; D131-S133 PolarHBondContact OD1-OG 3.36Å; D131-S133 PolarHBondContact OD2-OG 3.01Å; S133-L135 PolarHBondContact O-N 2.85Å; S133-I136 CarbonylContact O-C 3.58Å; S133-I136 WeakPolarHBondContact O-CA 3.33Å; S133-I136 WeakPolarHBondContact O-CB 3.37Å; S133-I136 PolarHBondContact O-N 3.08Å; S133-R409 VanDerWaalsContact C-NH1 3.26Å; S133-R409 PolarHBondContact O-NH1 3.09Å; S133-R409 PolarHBondContact OG-NH1 3.31Å
134D52.3Low56.3Low65 Ų6571.2 Ų71.235%0.34840%0.399SS..G310 helixtrans-58.8-26.7167.7-77.710000112.8G132 I136 G137 R409G132-D134 PolarHBondContact O-N 3.32Å; D134-I136 PolarHBondContact O-N 3.33Å; D134-G137 CarbonylContact O-C 3.53Å; D134-G137 PolarHBondContact O-N 2.8Å; D134-R409 VanDerWaalsContact N-NH1 3.16Å; D134-R409 IonicContact OD1-CZ 2.95Å; D134-R409 IonicContact OD1-NH1 3.5Å; D134-R409 PolarHBondContact OD1-NH1 3.32Å; D134-R409 IonicContact OD1-NH2 2.71Å; D134-R409 PolarHBondContact OD1-NH2 3.43Å
135L52.3Low53.3Low30 Ų3079.1 Ų79.116%0.15743%0.434CS..G310 helixtrans-79.8-2.5174.8-54.1173.5000112.9R34 V44 G132 S133R34-L135 HydrophobicContact CG-CD1 4.2Å; V44-L135 HydrophobicContact CG1-CD1 4.23Å; G132-L135 VanDerWaalsContact O-CB 3.26Å; G132-L135 WeakPolarHBondContact O-CB 3.44Å; G132-L135 PolarHBondContact O-N 3.29Å; S133-L135 PolarHBondContact O-N 2.85Å
136I51.3Low50.7Low6 Ų680 Ų803%0.03145%0.445CS..G310 helixtrans-110.113174.6-73172.9000109.4P41 V44 S133 D134 G407 L408 R409 T441 F443P41-I136 VanDerWaalsContact O-CD1 3.31Å; P41-I136 WeakPolarHBondContact O-CD1 3.32Å; V44-I136 HydrophobicContact CG2-CD1 3.7Å; S133-I136 CarbonylContact O-C 3.58Å; S133-I136 WeakPolarHBondContact O-CA 3.33Å; S133-I136 WeakPolarHBondContact O-CB 3.37Å; S133-I136 PolarHBondContact O-N 3.08Å; D134-I136 PolarHBondContact O-N 3.33Å; I136-G407 CarbonylContact O-C 3.36Å; I136-G407 VanDerWaalsContact O-CA 3.31Å; I136-G407 WeakPolarHBondContact O-CA 3.44Å; I136-L408 CarbonylContact O-C 3.53Å; I136-L408 VanDerWaalsContact O-C 3.3Å; I136-L408 VanDerWaalsContact O-CA 3.3Å; I136-L408 WeakPolarHBondContact O-CA 3.07Å; I136-L408 PolarHBondContact O-N 3.03Å; I136-R409 PolarHBondContact O-N 2.91Å; I136-T441 HydrophobicContact CG2-CG2 3.4Å; I136-T441 VanDerWaalsContact CG2-CG2 3.4Å; I136-F443 HydrophobicContact CD1-CE1 4.13Å; I136-F443 HydrophobicContact CD1-CZ 4.4Å; I136-F443 HydrophobicContact CG1-CE1 4.42Å; I136-F443 HydrophobicContact CG2-CE1 4.01Å; I136-F443 HydrophobicContact CG2-CZ 4.14Å
137G37.4Very low48.3Very low11 Ų1179.8 Ų79.811%0.11344%0.435CS..SBendtrans-147.8-173.5169.800000113.4D134D134-G137 CarbonylContact O-C 3.53Å; D134-G137 PolarHBondContact O-N 2.8Å
138P32.3Very low45.6Very low34 Ų3486.3 Ų86.322%0.22147%0.465CS..SBendtrans-82.3168.3162.634.5-29000110.5E1011P138-E1011 WeakPolarHBondContact CG-O 3.43Å
139A31.5Very low43.1Very low28 Ų2886.2 Ų86.223%0.23148%0.478CS..PPolyproline II helixtrans-78.7135.5-166.600000113.4S1013A139-S1013 PolarHBondContact N-OG 3.49Å; A139-S1013 WeakPolarHBondContact O-CB 3.31Å; A139-S1013 PolarHBondContact O-OG 3.42Å
140E34.5Very low40.6Very low100 Ų10089.3 Ų89.347%0.46750%0.495SS..PPolyproline II helixtrans-47.2136.8-178.6-71.3-80.6117.500114.1R409 K1016E140-R409 IonicContact OE1-CZ 3.88Å; E140-R409 IonicContact OE1-NH2 3.27Å; E140-R409 PolarHBondContact OE1-NH2 3.02Å; E140-K1016 PolarHBondContact O-NZ 3.29Å
141P34.1Very low38.5Very low68 Ų6890.8 Ų90.844%0.44251%0.514SS..PPolyproline II helixtrans-63.2152.6166.7-17.730.7000112.1E1011P141-E1011 WeakPolarHBondContact CG-OE1 3.4Å
142F30.6Very low36.6Very low184 Ų18493.4 Ų93.481%0.80753%0.528SS*.PPolyproline II helixtrans-75.7124.8163-87.4-85.3000109.1
143S30.9Very low35.1Very low104 Ų10499.8 Ų99.873%0.72757%0.571SS**PPolyproline II helixtrans-71.2125.3163.1-70.40000109.6F145S143-F145 PolarHBondContact O-N 3.38Å; S143-F145 VanDerWaalsContact O-N 3.09Å
144D29.1Very low33.7Very low149 Ų149104.9 Ų104.980%0.79761%0.606SS**  trans-60110.6176.4-89.7-45000111.7
145F27.8Very low32.6Very low188 Ų188106.1 Ų106.183%0.82562%0.62SS**  trans-129.954.3172.3-112.3-80.8000112S143 A147S143-F145 PolarHBondContact O-N 3.38Å; S143-F145 VanDerWaalsContact O-N 3.09Å; F145-A147 VanDerWaalsContact C-N 3.35Å; F145-A147 PolarHBondContact O-N 3.48Å; F145-A147 VanDerWaalsContact O-N 3.12Å
146L33.6Very low31.4Very low171 Ų171111.5 Ų111.590%0.89565%0.649SS**  trans-79.978.5167.9-72.8179.7000111.8
147A29.8Very low30.3Very low77 Ų77117.3 Ų117.364%0.63668%0.684SS**  trans-157.2123.7155.500000111.5F145F145-A147 VanDerWaalsContact C-N 3.35Å; F145-A147 PolarHBondContact O-N 3.48Å; F145-A147 VanDerWaalsContact O-N 3.12Å
148D27.8Very low29.7Very low157 Ų157124 Ų12484%0.8471%0.713SS**  trans35.2105.3159.2-59.9-22000120.1
149S30.4Very low29.6Very low123 Ų123132.9 Ų132.986%0.8674%0.742SS**  -165.9101.2113.9-80.90000112.6S151S149-S151 PolarHBondContact O-N 2.79Å
150L30.1Very low29.4Very low185 Ų185137.1 Ų137.197%0.96976%0.761SS**  trans-78.4107.3156.6-74.7171.9000108.7
151S30.3Very low29.1Very low107 Ų107139.6 Ų139.675%0.74878%0.775SS**  trans-157.7112.1159.1-171.80000110.5S149S149-S151 PolarHBondContact O-N 2.79Å
152D29.5Very low28.9Very low155 Ų155142 Ų14283%0.82979%0.794SS**  trans-60.5153.9165.6-65.5-75.5000111.8
153C25Very low28.7Very low136 Ų136136.7 Ų136.792%0.91979%0.791SS**  trans-157.893.7156.4-112.20000110.3
154S26.8Very low28.6Very low125 Ų125136.6 Ų136.687%0.87480%0.797SS**  trans-105.6153.7158.9-168.90000108.9
155S29.1Very low28.6Very low90 Ų90137.9 Ų137.963%0.62980%0.798SS**  trans-97164.7-152.269.10000116.4
156D27.7Very low28.6Very low143 Ų143137 Ų13777%0.76580%0.796SS**  trans64.6120.7153.7-49.5-49.7000120
157V28.3Very low28.3Very low128 Ų128135.6 Ų135.678%0.77679%0.789SS**  -172.3141.9100.31460000111.2
158Q25.4Very low28.1Very low152 Ų152137.4 Ų137.471%0.7179%0.792SS**  trans-75.4142.9-174.1178.2174.9-9.300115
159R29.4Very low28Very low220 Ų220135.6 Ų135.683%0.8379%0.787SS**  trans-158.7147.7144.9-141.8160.8-67.9122.54.2112.7
160D26.7Very low27.7Very low118 Ų118135.9 Ų135.963%0.63178%0.783SS**  trans-95-178.4-167-44.9-97.9000114.5
161I29.6Very low27.5Very low151 Ų151132.6 Ų132.677%0.77478%0.776SS**  trans116.6104.1153.7-58.8156000117
162S28.5Very low27.3Very low119 Ų119135.3 Ų135.383%0.83278%0.777SS**  trans60.5159156.169.30000119.6
163G26.4Very low27.3Very low72 Ų72139 Ų13974%0.74278%0.781SS**  cis154130.5-11.500000114.2
164A28.6Very low27.4Very low103 Ų103136 Ų13685%0.85177%0.773SS**  trans74.2142.5166.500000121.7
165E29.8Very low27.3Very low176 Ų176133.6 Ų133.682%0.82277%0.768SS**  trans-15.2134.5156.2-67.5158.6-175.400118
166E26.9Very low27.9Very low168 Ų168135.4 Ų135.479%0.78578%0.778SS**  91157.173.6-153.9-174.3151.800113.2
167L28Very low28.4Very low142 Ų142133.8 Ų133.874%0.74378%0.775SS**  trans77.2149.2178.5-50.1174.4000114.5
168T26.8Very low28.4Very low116 Ų116132 Ų13271%0.71277%0.769SS**  cis-154.6133.127.80000108.3
169V25.3Very low28.4Very low118 Ų118131.2 Ų131.272%0.71577%0.769SS**  73.2108.490.2175.20000116.5
170T23.9Very low28.4Very low129 Ų129125.3 Ų125.379%0.79176%0.761SS**  trans46.1132.6151.862.70000122.8
171S26.3Very low28.6Very low117 Ų117126.3 Ų126.382%0.81877%0.767SS**  -157.9149.3109.5-171.20000112.6
172E26.1Very low28.7Very low163 Ų163126.4 Ų126.476%0.76277%0.768SS**  trans-85.3173.1-174.3-58.1164.6107.600114.7
173Y29.4Very low29Very low232 Ų232127 Ų12791%0.9177%0.767SS**  trans124120.2155.1-75.6-69.2000112.1
174G26.1Very low29.3Very low73 Ų73128 Ų12875%0.75376%0.762SS**  cis156110.1-3.400000109.8
175G25.7Very low29.3Very low76 Ų76131.4 Ų131.478%0.78477%0.765SS**  trans-78-158.9-178.700000113.7
176P41.3Very low29.3Very low127 Ų127126.5 Ų126.583%0.82576%0.755SS**  cis-124.8-145.87.337.2-14.4000109.5
177P37.6Very low29.6Very low109 Ų109124.4 Ų124.471%0.70875%0.753SS**  cis-140.2-173.9-7.245.9-27.8000116.5
178S29.5Very low29.8Very low92 Ų92124.1 Ų124.164%0.64375%0.753SS**  trans49.9155.4141.2-114.10000124.4
179D25.6Very low30.1Very low135 Ų135125.4 Ų125.472%0.72276%0.761SS**  trans63106.7149.5-53.2-5.9000116.4
180S28.4Very low30.4Very low95 Ų95127.3 Ų127.366%0.66477%0.767SS**  93.3170.363.479.50000112.8
181D30.4Very low31Very low140 Ų140126 Ų12675%0.74976%0.763SS**  trans80.6111.2-178.6-53.75.6000112.3
182L31.5Very low31.2Very low153 Ų153128.5 Ų128.580%0.80177%0.766SS**  cis56.112341.6-51.4178.2000111.6
183T34.8Very low31.6Very low130 Ų130124.6 Ų124.680%0.79876%0.761SS**  171.216986.939.60000108.1
184S33.3Very low31.7Very low93 Ų93121.8 Ų121.865%0.6576%0.757SS**  cis-170150.4-30.3-89.60000109.2
185L28Very low32.1Very low175 Ų175125.9 Ų125.992%0.91676%0.76SS**SBendtrans-13298.9146.3-72.1175000105.3
186A30.3Very low32.2Very low74 Ų74129.8 Ų129.861%0.61276%0.764SS**  92105.796.200000110.3
187V33.4Very low31.8Very low123 Ų123131.4 Ų131.475%0.74577%0.765SS**  64.1138.758.2-40.50000112.8
188D33Very low31.4Very low137 Ų137129.9 Ų129.973%0.73377%0.77SS**  cis-139.1154.916.2-95.1-57.3000113
189T32.6Very low31.5Very low143 Ų143134.9 Ų134.988%0.87779%0.785SS**  172.8124108.729.70000111.8
190D31.3Very low31.6Very low157 Ų157133.4 Ų133.484%0.8479%0.792SS**  trans-152.7150.2174.2-168.213.6000111.3
191S35.9Very low31.9Very low101 Ų101135.2 Ų135.271%0.70680%0.804SS**  trans173.2141.3174.1-84.10000110.9
192L30.9Very low31.8Very low171 Ų171131.5 Ų131.590%0.89580%0.799SS**  cis-160.8177.7-13.5-126.5174.8000107.7
193A34.4Very low31.6Very low80 Ų80129.6 Ų129.666%0.66180%0.799SS**  trans-108.2158.5-16600000116.7
194E32.6Very low31.2Very low174 Ų174129.9 Ų129.981%0.81380%0.8SS**  trans72.5133.6149.3-79.9-175.7179.200124.1
195L33.9Very low31.1Very low158 Ų158130.6 Ų130.683%0.82781%0.806SS**  trans60.1117.1145.2-61.2168.4000122
196D27Very low32.4Very low159 Ų159127 Ų12785%0.8579%0.793SS**  -167.7170.9114.2-1577.7000112
197D33.7Very low32.3Very low160 Ų160130.1 Ų130.186%0.85680%0.799SS**  trans-73.7159.8178-84.6-38.7000114.8
198G28.6Very low31.9Very low78 Ų78132.8 Ų132.880%0.80480%0.803SS**  trans157.1124.9154.700000118.9
199M30.8Very low32.7Very low196 Ų196130.7 Ų130.797%0.96680%0.798SS**  trans-77.3145.1171.7-61-151.7-5600114.2
200A28.1Very low32.7Very low104 Ų104133 Ų13386%0.8680%0.798SS**  trans-164164.7144.600000113.2
201S34.8Very low32.6Very low133 Ų133129.1 Ų129.193%0.9380%0.796SS**  trans-126.2151.8-177.7-54.30000112.7
202G28Very low32.3Very low63 Ų63133.7 Ų133.765%0.64981%0.806SS**  trans143.4127.6166.800000112.3
203S28.4Very low32.2Very low112 Ų112129.4 Ų129.478%0.78380%0.795SS**  68.712460.582.20000111.9
204T26.9Very low32.1Very low136 Ų136131.6 Ų131.683%0.83480%0.8SS**  cis-162.1169.537.944.90000113.3
205S30.5Very low32Very low109 Ų109130.2 Ų130.276%0.76280%0.799SS**  trans-96.4167.2157.4-144.90000108.8
206P54.6Low31.7Very low100 Ų100130 Ų13065%0.64980%0.797SS**  -165-17159.246.7-23.2000119.9
207N27.8Very low31.7Very low138 Ų138127.8 Ų127.874%0.73879%0.794SS**  trans66.6115145.2-63.5-15.8000125.4
208Q26.6Very low31.5Very low179 Ų179125.7 Ų125.784%0.83679%0.792SS**  34.2164.6100.4-100.4-170.22.400122.5
209P49.8Very low31.6Very low94 Ų94129.5 Ų129.561%0.6179%0.792SS**  cis-146.8177.44.841.1-19.8000120.6
210Q31.4Very low31.4Very low190 Ų190125.5 Ų125.589%0.88878%0.782SS**  trans70.8128.3137.3-87.7175.7-39.600127.5
211G29.9Very low31.6Very low77 Ų77125.8 Ų125.879%0.79478%0.778SS**  109.9146.5129.200000119
212E29Very low32.2Very low196 Ų196125.1 Ų125.192%0.91677%0.771SS**  cis-166.8167.8-20.2-169.2160.5-132.500110.7
213A30Very low32.2Very low81 Ų81132.8 Ų132.867%0.66978%0.78SS**  trans110100.7153.300000122.1
214T30.9Very low32.3Very low126 Ų126135.1 Ų135.177%0.77378%0.783SS**  51.6144127.856.40000124.2
215N30.8Very low32.9Very low145 Ų145133.5 Ų133.578%0.77578%0.775SS**  cis-170.7175.2-23.1-139.9-20.4000111.6
216I28.5Very low32.8Very low154 Ų154133.2 Ų133.279%0.7977%0.772SS**  trans77.4131.5175.5-59.5173.5000113
217S27.1Very low31.4Very low112 Ų112135.9 Ų135.978%0.78378%0.78SS**  cis-160.9170.3-15.352.50000110.8
218S29.9Very low31.3Very low117 Ų117141.1 Ų141.182%0.81879%0.79SS**  trans-159.1148.1-179.4-179.30000112.7
219I29Very low31.3Very low157 Ų157139.8 Ų139.881%0.80578%0.783SS**  trans-151.7134.4-179.4-64.2-177.5000107.3
220C27.1Very low30.2Very low112 Ų112144.8 Ų144.876%0.75779%0.79SS**  cis-159.8140.4-14.4-119.60000111.8
221S33.4Very low29.8Very low111 Ų111147.1 Ų147.178%0.77679%0.791SS**  trans-149.3137.6166.2-64.80000112.6
222P47.4Very low29.7Very low119 Ų119149.4 Ų149.477%0.77379%0.789SS**  trans-128.8169.7166.324.6-4000114
223R27.7Very low30.4Very low223 Ų223145.8 Ų145.884%0.84278%0.783SS**  cis174.6163.7-25.2-100.8161.5-157.7-163.72.1106.9
224L29.9Very low30.3Very low161 Ų161147 Ų14784%0.84379%0.787SS**  cis-152.7167.67.6-107.7157.3000108.5
225P40.3Very low31.1Very low103 Ų103146.8 Ų146.867%0.66979%0.787SS**  trans-119.7166.9-162.742.9-35.2000119.4
226S27.6Very low31.2Very low102 Ų102144.1 Ų144.171%0.71379%0.785SS**  trans86.9140.4141.878.60000124.5
227L25.9Very low32.1Very low156 Ų156142.9 Ų142.982%0.81779%0.788SS**  trans64.8107.3143.9-75.9167.3000123.3
228R25Very low32.3Very low248 Ų248143.9 Ų143.994%0.93679%0.788SS**  177.2167.4100.8-102.7-177.7174.3170.90.4114.9
229E27.2Very low33.7Very low151 Ų151143.7 Ų143.771%0.70679%0.785SS**  trans-116.6157.5-176.2-159.9-153.9-120.500112.9
230R25.8Very low33.6Very low200 Ų200140.5 Ų140.576%0.75578%0.781SS**  trans78.3111.4147.7-165.8-175.4-58-142.2-2.7120.8
231R22.8Very low33.7Very low239 Ų239140.3 Ų140.390%0.90278%0.781SS**  -164.7157.2113.7-107.5175-174-1741.8114.9
232T27.6Very low33.5Very low124 Ų124140.9 Ų140.976%0.76179%0.785SS**  trans-81.4-178.4177.950.90000111.7
233P43.7Very low32.9Very low121 Ų121139.6 Ų139.679%0.78679%0.785SS**  cis-144.6-169.914.141.5-18.7000118.3
234S28.6Very low34Very low107 Ų107134.4 Ų134.475%0.74878%0.78SS**  trans-68.2174.4158.6-145.10000111.4
235P48.2Very low34.1Very low120 Ų120132.3 Ų132.378%0.77977%0.77SS**  cis-144.4-167.419.643.7-21.5000117.7
236A32.5Very low34.8Very low89 Ų89133.2 Ų133.274%0.73678%0.776SS**  trans-89.5171.3176.200000113.9
237P47.9Very low34.9Very low129 Ų129135.3 Ų135.384%0.83877%0.774SS**  -154.4-169.588.142.1-21.3000117.9
238V31.2Very low35.2Very low132 Ų132133.9 Ų133.980%0.877%0.772SS**  trans-74.5-174.8179.2-111.60000115.5
239P58.1Low35.2Very low114 Ų114126.1 Ų126.174%0.7476%0.756SS**  cis-142.7-172.1-15.634.3-11.2000117.4
240A28.4Very low35.2Very low89 Ų89124.7 Ų124.774%0.73676%0.761SS**  trans100.9132.1131.200000125.6
241S29Very low35.9Very low108 Ų108120.8 Ų120.876%0.75576%0.761SS**  trans113139.9130.683.60000122.2
242S28.3Very low36.3Very low123 Ų123117.5 Ų117.586%0.8676%0.762SS**  trans81.4146.4151.6-45.50000121.1
243A36.2Very low36.5Very low93 Ų93123.3 Ų123.377%0.76977%0.77SS**  trans-114.7-176-174.900000110.3
244P49.3Very low35.8Very low114 Ų114124.1 Ų124.174%0.7477%0.773SS**  cis-137.8176.31442.8-23.6000118.3
245N33.3Very low37Very low116 Ų116124.7 Ų124.762%0.6277%0.774SS**  trans3.4139.8157.8-65.747.6000118.9E247N245-E247 WeakPolarHBondContact CB-OE1 3.36Å; N245-E247 PolarHBondContact ND2-OE1 2.85Å
246P53.6Low36.2Very low123 Ų123126.6 Ų126.680%0.79978%0.777SS**  cis-108.6-135.143.6-4.128000118.2
247E30Very low36.3Very low145 Ų145132.3 Ų132.368%0.67879%0.785SS**  -169.6169.9-128.3-84.2145.8-8800107.1N245N245-E247 WeakPolarHBondContact CB-OE1 3.36Å; N245-E247 PolarHBondContact ND2-OE1 2.85Å
248V32.7Very low35.3Very low126 Ų126131 Ų13176%0.76478%0.779SS**  cis-163.8155.97111.40000107
249S25.2Very low35.2Very low86 Ų86136.3 Ų136.360%0.60179%0.785SS**  cis-172.9138.5-30.258.50000111.7
250C27.4Very low33.8Very low121 Ų121135.9 Ų135.982%0.81879%0.785SS**  trans72.1154.7145.4-62.60000121.8
251P40.5Very low33.9Very low117 Ų117139.5 Ų139.576%0.7679%0.791SS**  cis-138.4174.2-3838.5-21.7000115
252N30.3Very low34.2Very low170 Ų170145.8 Ų145.891%0.90980%0.798SS**  trans-114.5177.3-168.7-78-36.5000115.7
253R33.1Very low34.2Very low247 Ų247149.8 Ų149.893%0.93280%0.8SS**  trans-134.6125.6-179.9-171.9-168.6-158-154.39111.1
254T27.6Very low34Very low138 Ų138151.8 Ų151.885%0.84780%0.803SS**  trans-157.1160.8175.716.60000113
255P54.1Low33Very low119 Ų119152.1 Ų152.177%0.77381%0.808SS**  trans-104.6178.5-170.541.6-36.6000114.5
256L32.5Very low33Very low160 Ų160150.4 Ų150.484%0.83882%0.818SS**  trans-162.1154.4158.4-110.5179.9000112.9
257F32.6Very low32.1Very low208 Ų208150.7 Ų150.791%0.91282%0.817SS**  trans-151.5116.6165.2-120.8-61.5000110.8
258S27.3Very low32.1Very low102 Ų102150.1 Ų150.171%0.71382%0.818SS**  trans-160.898.7167.763.80000114.6
259R29Very low32.2Very low243 Ų243149.3 Ų149.392%0.91783%0.825SS**  trans31.2119.6135.4-171.3-175.2-159.8161.97.5119.4
260S28.6Very low32.9Very low106 Ų106150.6 Ų150.674%0.74183%0.829SS**  170.2131.6113.9-174.30000113.6
261L31Very low33.7Very low165 Ų165151.2 Ų151.286%0.86482%0.824SS**  -175.7148124.3-102.1164.9000111.6
262R34.5Very low34Very low239 Ų239151.7 Ų151.790%0.90283%0.825SS**  trans-120.1133.8161.4-74.2-173.2-179.3-175.90.7108.4
263K28.7Very low35Very low208 Ų208150 Ų15090%0.90481%0.809SS**  trans-154158.6149.4-141.5172.7-177.5-179.50111.1
264T31.6Very low36Very low134 Ų134141 Ų14182%0.82278%0.784SS**  trans-109.8124.7-161.449.20000113.7
265S28.6Very low38Very low122 Ų122137.8 Ų137.885%0.85376%0.762SS**  trans-164.6122.4147.752.70000107.7
266G34.8Very low39.4Very low80 Ų80133.6 Ų133.683%0.82573%0.731SS**  trans-87.5139.5-171.900000113.8
267V33.7Very low41.9Very low129 Ų129128.2 Ų128.278%0.78270%0.703SS**  trans-140.2131.9157.2-179.30000107.8
268N30.4Very low44.4Very low132 Ų132122.4 Ų122.471%0.70668%0.681SS**  trans26.5115.7162.7-54-5.7000120.1T270N268-T270 VanDerWaalsContact C-N 3.29Å; N268-T270 PolarHBondContact O-N 2.81Å; N268-T270 VanDerWaalsContact O-N 3.1Å
269A34.3Very low47.2Very low110 Ų110122.2 Ų122.291%0.90967%0.668SS**THydrogen-bonded Turntrans-85.350.217500000113.7
270T41.1Very low50.1Low113 Ų113110.8 Ų110.869%0.69363%0.625SS**THydrogen-bonded Turntrans-116.3-17.1-174.848.60000115.6N268N268-T270 VanDerWaalsContact C-N 3.29Å; N268-T270 PolarHBondContact O-N 2.81Å; N268-T270 VanDerWaalsContact O-N 3.1Å
271D42.5Very low53Low133 Ų133109.2 Ų109.271%0.71161%0.614SS**  trans-83.8-23.2-166.2-105.71.6000115.8K273 S274D271-K273 PolarHBondContact O-N 2.66Å; D271-S274 PolarHBondContact O-N 3.48Å
272V47.1Very low55.9Low127 Ų127107.3 Ų107.377%0.7760%0.601SS**THydrogen-bonded Turntrans-72.79.2-165.1-163.10000114
273K52Low58.6Low134 Ų13497.8 Ų97.858%0.58357%0.568SS**THydrogen-bonded Turntrans-108.1-0.4176.9-81.7-158.5170.9-163.10115.3D271 G316D271-K273 PolarHBondContact O-N 2.66Å; K273-G316 PolarHBondContact NZ-O 3.25Å
274S54.8Low61.7Low58 Ų5888.4 Ų88.441%0.40653%0.527SS..SBendtrans-83.1-44.2171.4-1660000112.4D271 Y276 L277 D278D271-S274 PolarHBondContact O-N 3.48Å; S274-Y276 PolarHBondContact O-N 3.33Å; S274-L277 PolarHBondContact O-N 3.04Å; S274-D278 PolarHBondContact OG-OD2 3.34Å
275D68.7Low64.5Low71 Ų7183.9 Ų83.938%0.3851%0.507SS..Hα-helixtrans-32.2-37-169.8-88.155.6000118.7K279D275-K279 WeakPolarHBondContact O-CB 3.28Å; D275-K279 VanDerWaalsContact O-CD 3.23Å; D275-K279 WeakPolarHBondContact O-CD 3.35Å; D275-K279 WeakPolarHBondContact O-CE 3.47Å; D275-K279 WeakPolarHBondContact O-CG 3.28Å; D275-K279 PolarHBondContact O-N 2.68Å; D275-K279 WeakPolarHBondContact OD2-CE 3.29Å; D275-K279 IonicContact OD2-NZ 3.71Å; D275-K279 PolarHBondContact OD2-NZ 3.11Å
276Y84Confident67.6Low32 Ų3283.3 Ų83.313%0.12549%0.49CS..Hα-helixtrans-76.7-33.2-17483.4-85.1000112.7S274 A280 E317S274-Y276 PolarHBondContact O-N 3.33Å; Y276-A280 WeakPolarHBondContact O-CB 3.41Å; Y276-A280 PolarHBondContact O-N 2.75Å; Y276-E317 WeakPolarHBondContact CE1-OE1 3.47Å; Y276-E317 VanDerWaalsContact OH-CD 3.28Å; Y276-E317 WeakPolarHBondContact OH-CG 3.39Å; Y276-E317 PolarHBondContact OH-OE1 3.36Å
277L85.3Confident70.3Confident47 Ų4779.5 Ų79.525%0.24645%0.45CS..Hα-helixtrans-70.5-41.3176.5-69.8-179.9000110.8S274 A280 S281 L310 R322 V326S274-L277 PolarHBondContact O-N 3.04Å; L277-A280 PolarHBondContact O-N 2.8Å; L277-S281 WeakPolarHBondContact O-CB 3.4Å; L277-S281 PolarHBondContact O-N 2.99Å; L277-L310 HydrophobicContact CD2-CD2 3.81Å; L277-R322 VanDerWaalsContact CD1-NH2 3.25Å; L277-V326 HydrophobicContact CD2-CG2 3.75Å
278D85.3Confident73.1Confident85 Ų8577 Ų7746%0.45544%0.435SS..Hα-helixtrans-62.3-50.4178.5-58.1-60.3000109.9S274 A280 S281 E282S274-D278 PolarHBondContact OG-OD2 3.34Å; D278-A280 PolarHBondContact O-N 2.78Å; D278-S281 PolarHBondContact O-N 2.85Å; D278-S281 VanDerWaalsContact O-N 3.12Å; D278-S281 PolarHBondContact O-OG 2.83Å; D278-E282 PolarHBondContact O-N 2.93Å
279K85.4Confident76Confident99 Ų9975.4 Ų75.443%0.4342%0.423SS..Hα-helixtrans-64.8-37.9177.3-68.2164.1-159.7169.20113.4D275 S281 E282 L283D275-K279 WeakPolarHBondContact O-CB 3.28Å; D275-K279 VanDerWaalsContact O-CD 3.23Å; D275-K279 WeakPolarHBondContact O-CD 3.35Å; D275-K279 WeakPolarHBondContact O-CE 3.47Å; D275-K279 WeakPolarHBondContact O-CG 3.28Å; D275-K279 PolarHBondContact O-N 2.68Å; D275-K279 WeakPolarHBondContact OD2-CE 3.29Å; D275-K279 IonicContact OD2-NZ 3.71Å; D275-K279 PolarHBondContact OD2-NZ 3.11Å; K279-S281 VanDerWaalsContact C-N 3.34Å; K279-E282 PolarHBondContact O-N 2.7Å; K279-L283 WeakPolarHBondContact O-CG 3.39Å; K279-L283 PolarHBondContact O-N 3.47Å; K279-L283 VanDerWaalsContact O-N 3.15Å
280A89.9Confident78.7Confident2 Ų272.7 Ų72.72%0.01739%0.391CS..Hα-helixtrans-65.5-38.9172.700000111.4Y276 L277 D278 E282 L283 I284 L309 L310Y276-A280 WeakPolarHBondContact O-CB 3.41Å; Y276-A280 PolarHBondContact O-N 2.75Å; L277-A280 PolarHBondContact O-N 2.8Å; D278-A280 PolarHBondContact O-N 2.78Å; A280-E282 PolarHBondContact O-N 3.04Å; A280-L283 PolarHBondContact O-N 3.29Å; A280-I284 WeakPolarHBondContact O-CB 3.5Å; A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.34Å; A280-I284 PolarHBondContact O-N 3.23Å; A280-L309 HydrophobicContact CB-CB 4.46Å; A280-L310 HydrophobicContact CB-CD2 3.52Å; A280-L310 HydrophobicContact CB-CG 3.74Å
281S89Confident81Confident73 Ų7369 Ų6951%0.5137%0.366SS..Hα-helixtrans-65.9-36.7177.780.90000112.7L277 D278 K279 G285L277-S281 WeakPolarHBondContact O-CB 3.4Å; L277-S281 PolarHBondContact O-N 2.99Å; D278-S281 PolarHBondContact O-N 2.85Å; D278-S281 VanDerWaalsContact O-N 3.12Å; D278-S281 PolarHBondContact O-OG 2.83Å; K279-S281 VanDerWaalsContact C-N 3.34Å; S281-G285 PolarHBondContact O-N 2.86Å
282E91.4Very high83.2Confident126 Ų12666.6 Ų66.659%0.58936%0.36SS*.Hα-helixtrans-62.1-48.4171.5-70.3-175.2158.200111.3D278 K279 A280 G285 F286D278-E282 PolarHBondContact O-N 2.93Å; K279-E282 PolarHBondContact O-N 2.7Å; A280-E282 PolarHBondContact O-N 3.04Å; E282-G285 CarbonylContact O-C 3.21Å; E282-G285 WeakPolarHBondContact O-CA 3.44Å; E282-G285 PolarHBondContact O-N 2.87Å; E282-G285 VanDerWaalsContact O-N 3.16Å; E282-F286 HydrophobicContact CB-CE2 4.32Å; E282-F286 WeakPolarHBondContact O-CD2 3.23Å; E282-F286 PolarHBondContact O-N 3.1Å
283L92.1Very high85.3Confident39 Ų3965.2 Ų65.220%0.20435%0.345CS..Hα-helixtrans-64.9-42.5-179.8-70.6166000112.7K279 A280 G285 F286 A287 Y302 L309K279-L283 WeakPolarHBondContact O-CG 3.39Å; K279-L283 PolarHBondContact O-N 3.47Å; K279-L283 VanDerWaalsContact O-N 3.15Å; A280-L283 PolarHBondContact O-N 3.29Å; L283-G285 VanDerWaalsContact C-N 3.3Å; L283-G285 PolarHBondContact O-N 3.37Å; L283-F286 PolarHBondContact O-N 3.35Å; L283-A287 PolarHBondContact O-N 2.97Å; L283-Y302 HydrophobicContact CD2-CD1 3.84Å; L283-Y302 HydrophobicContact CD2-CE1 4.19Å; L283-L309 HydrophobicContact CD1-CD1 3.41Å; L283-L309 VanDerWaalsContact CD1-CD1 3.41Å
284I94.1Very high86.9Confident11 Ų1165.7 Ų65.76%0.05635%0.349CS..Hα-helixtrans-65.6-35.4173-65-63.6000110.9A280 A287 V288 Y303 Y333A280-I284 WeakPolarHBondContact O-CB 3.5Å; A280-I284 VanDerWaalsContact O-CG1 3.26Å; A280-I284 WeakPolarHBondContact O-CG1 3.34Å; A280-I284 PolarHBondContact O-N 3.23Å; I284-A287 WeakPolarHBondContact O-CB 3.33Å; I284-A287 PolarHBondContact O-N 3Å; I284-V288 WeakPolarHBondContact O-CG2 3.14Å; I284-V288 PolarHBondContact O-N 2.87Å; I284-Y303 HydrophobicContact CD1-CD1 3.75Å; I284-Y303 HydrophobicContact CD1-CE1 4.31Å; I284-Y303 HydrophobicContact CG2-CE1 4.41Å; I284-Y333 HydrophobicContact CD1-CD1 4.2Å; I284-Y333 HydrophobicContact CD1-CD2 3.85Å; I284-Y333 HydrophobicContact CD1-CE2 4.39Å; I284-Y333 HydrophobicContact CD1-CG 3.77Å; I284-Y333 HydrophobicContact CG1-CD2 4.07Å; I284-Y333 HydrophobicContact CG1-CE2 4.13Å; I284-Y333 HydrophobicContact CG1-CG 4.38Å; I284-Y333 HydrophobicContact CG2-CD1 3.96Å; I284-Y333 HydrophobicContact CG2-CE1 3.56Å; I284-Y333 HydrophobicContact CG2-CE2 4.22Å; I284-Y333 HydrophobicContact CG2-CG 4.47Å
285G90.3Very high88.5Confident39 Ų3965.9 Ų65.940%0.40235%0.345SS..Hα-helixtrans-60.4-46.3171.600000112.5S281 E282 L283 A287 V288 Q289S281-G285 PolarHBondContact O-N 2.86Å; E282-G285 CarbonylContact O-C 3.21Å; E282-G285 WeakPolarHBondContact O-CA 3.44Å; E282-G285 PolarHBondContact O-N 2.87Å; E282-G285 VanDerWaalsContact O-N 3.16Å; L283-G285 VanDerWaalsContact C-N 3.3Å; L283-G285 PolarHBondContact O-N 3.37Å; G285-A287 VanDerWaalsContact C-N 3.3Å; G285-A287 PolarHBondContact O-N 2.83Å; G285-V288 PolarHBondContact O-N 2.82Å; G285-Q289 WeakPolarHBondContact O-CB 3.22Å; G285-Q289 PolarHBondContact O-N 3.39Å
286F92.4Very high89.5Confident110 Ų11065.3 Ų65.348%0.48234%0.338SS..Hα-helixtrans-63.6-34.6172.5-68.1-57000112.4E282 L283 K290 Y302E282-F286 HydrophobicContact CB-CE2 4.32Å; E282-F286 WeakPolarHBondContact O-CD2 3.23Å; E282-F286 PolarHBondContact O-N 3.1Å; L283-F286 PolarHBondContact O-N 3.35Å; F286-K290 VanDerWaalsContact O-CB 3.28Å; F286-K290 WeakPolarHBondContact O-CB 3.39Å; F286-K290 VanDerWaalsContact O-CG 3.26Å; F286-K290 WeakPolarHBondContact O-CG 3.47Å; F286-K290 PolarHBondContact O-N 2.96Å; F286-Y302 HydrophobicContact CB-CD1 4.04Å; F286-Y302 HydrophobicContact CB-CD2 4.21Å; F286-Y302 HydrophobicContact CB-CE1 4.24Å; F286-Y302 HydrophobicContact CB-CE2 4.41Å; F286-Y302 HydrophobicContact CB-CG 4.04Å
287A93.3Very high89.7Confident0 Ų068.6 Ų68.60%036%0.355CS..Hα-helixtrans-64.3-48.517600000112.2L283 I284 G285 K290 E291 A299 Y303L283-A287 PolarHBondContact O-N 2.97Å; I284-A287 WeakPolarHBondContact O-CB 3.33Å; I284-A287 PolarHBondContact O-N 3Å; G285-A287 VanDerWaalsContact C-N 3.3Å; G285-A287 PolarHBondContact O-N 2.83Å; A287-K290 PolarHBondContact O-N 3.28Å; A287-E291 WeakPolarHBondContact O-CB 3.46Å; A287-E291 PolarHBondContact O-N 2.77Å; A287-A299 WeakPolarHBondContact O-CB 3.21Å; A287-Y303 HydrophobicContact CB-CD1 3.75Å; A287-Y303 HydrophobicContact CB-CD2 3.59Å; A287-Y303 HydrophobicContact CB-CE1 3.88Å; A287-Y303 HydrophobicContact CB-CE2 3.72Å; A287-Y303 HydrophobicContact CB-CG 3.58Å
288V91.6Very high89.7Confident76 Ų7667.2 Ų67.246%0.46135%0.35SS..Hα-helixtrans-63.8-42.3175.8173.30000111.2I284 G285 K290 E291 S292 Y303I284-V288 WeakPolarHBondContact O-CG2 3.14Å; I284-V288 PolarHBondContact O-N 2.87Å; G285-V288 PolarHBondContact O-N 2.82Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 2.99Å; V288-E291 PolarHBondContact O-N 2.96Å; V288-S292 PolarHBondContact O-N 2.72Å; V288-Y303 VanDerWaalsContact CG2-OH 3.28Å; V288-Y303 WeakPolarHBondContact CG2-OH 3.48Å
289Q91.3Very high90Very high98 Ų9863.2 Ų63.246%0.45833%0.329SS..Hα-helixtrans-59.5-45.9175179.559.533.900110.8G285 S292 E293G285-Q289 WeakPolarHBondContact O-CB 3.22Å; G285-Q289 PolarHBondContact O-N 3.39Å; Q289-S292 PolarHBondContact O-N 3.02Å; Q289-S292 VanDerWaalsContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.17Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 3.41Å; Q289-E293 WeakPolarHBondContact O-CG 3.15Å; Q289-E293 PolarHBondContact O-N 3.46Å
290K91.1Very high90.3Very high53 Ų5361 Ų6123%0.2332%0.319CS..Hα-helixtrans-67.9-33.9178.4-76-74.6165.2-168.30113.7F286 A287 V288 S292 E293 Q294 D295 A298 A299 Y302F286-K290 VanDerWaalsContact O-CB 3.28Å; F286-K290 WeakPolarHBondContact O-CB 3.39Å; F286-K290 VanDerWaalsContact O-CG 3.26Å; F286-K290 WeakPolarHBondContact O-CG 3.47Å; F286-K290 PolarHBondContact O-N 2.96Å; A287-K290 PolarHBondContact O-N 3.28Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 2.99Å; K290-S292 VanDerWaalsContact C-N 3.34Å; K290-E293 WeakPolarHBondContact CE-OE2 3.35Å; K290-E293 IonicContact NZ-OE2 3.56Å; K290-E293 PolarHBondContact NZ-OE2 2.87Å; K290-E293 CarbonylContact O-C 3.47Å; K290-E293 PolarHBondContact O-N 3.31Å; K290-Q294 PolarHBondContact O-N 2.76Å; K290-D295 HydrophobicContact CB-CB 4.45Å; K290-D295 HydrophobicContact CD-CB 3.71Å; K290-D295 WeakPolarHBondContact CD-OD2 3.43Å; K290-D295 IonicContact NZ-OD2 3.78Å; K290-D295 PolarHBondContact NZ-OD2 3.3Å; K290-D295 VanDerWaalsContact NZ-OD2 3.14Å; K290-D295 PolarHBondContact O-N 2.98Å; K290-A298 HydrophobicContact CB-CB 4.38Å; K290-A298 HydrophobicContact CD-CB 3.86Å; K290-A298 HydrophobicContact CG-CB 4.08Å; K290-A299 HydrophobicContact CB-CB 3.88Å; K290-Y302 HydrophobicContact CG-CD2 4.13Å; K290-Y302 HydrophobicContact CG-CE2 4.19Å
291E90.2Very high90.3Very high35 Ų3565.1 Ų65.116%0.16434%0.341CS..Hα-helixtrans-62.3-41.7170.2-166-177.8175.700111.1A287 V288 E293 Q294 Y296 A299 Y303 R336 I340A287-E291 WeakPolarHBondContact O-CB 3.46Å; A287-E291 PolarHBondContact O-N 2.77Å; V288-E291 PolarHBondContact O-N 2.96Å; E291-E293 VanDerWaalsContact C-N 3.3Å; E291-E293 PolarHBondContact O-N 3.15Å; E291-Q294 PolarHBondContact O-N 2.95Å; E291-Q294 VanDerWaalsContact O-N 3.1Å; E291-Y296 HydrophobicContact CG-CD1 4.4Å; E291-Y296 HydrophobicContact CG-CE1 4.09Å; E291-A299 HydrophobicContact CB-CB 4.21Å; E291-Y303 PolarHBondContact OE2-OH 3.29Å; E291-R336 IonicContact OE1-CZ 2.79Å; E291-R336 IonicContact OE1-NE 3.66Å; E291-R336 PolarHBondContact OE1-NE 3.23Å; E291-R336 IonicContact OE1-NH2 3.82Å; E291-R336 PolarHBondContact OE1-NH2 3.25Å; E291-R336 IonicContact OE2-CZ 3.88Å; E291-R336 IonicContact OE2-NE 2.97Å; E291-R336 PolarHBondContact OE2-NE 3.03Å; E291-R336 IonicContact OE2-NH2 2.64Å; E291-I340 HydrophobicContact CG-CD1 4.18Å
292S88.1Confident90.5Very high84 Ų8465.8 Ų65.859%0.58733%0.333SS*.Hα-helixtrans-67.7-27.7175.5830000113.8V288 Q289 K290 Q294V288-S292 PolarHBondContact O-N 2.72Å; Q289-S292 PolarHBondContact O-N 3.02Å; Q289-S292 VanDerWaalsContact O-N 3.16Å; Q289-S292 PolarHBondContact O-OG 3.17Å; K290-S292 VanDerWaalsContact C-N 3.34Å; S292-Q294 VanDerWaalsContact C-N 3.26Å
293E90.4Very high90.6Very high97 Ų9760.2 Ų60.245%0.45331%0.306SS..THydrogen-bonded Turntrans-81.4-0.7172.9-70.1171.9-163.600113.3Q289 K290 E291 D295Q289-E293 WeakPolarHBondContact CG-OE1 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 3.41Å; Q289-E293 WeakPolarHBondContact O-CG 3.15Å; Q289-E293 PolarHBondContact O-N 3.46Å; K290-E293 WeakPolarHBondContact CE-OE2 3.35Å; K290-E293 IonicContact NZ-OE2 3.56Å; K290-E293 PolarHBondContact NZ-OE2 2.87Å; K290-E293 CarbonylContact O-C 3.47Å; K290-E293 PolarHBondContact O-N 3.31Å; E291-E293 VanDerWaalsContact C-N 3.3Å; E291-E293 PolarHBondContact O-N 3.15Å; E293-D295 PolarHBondContact O-N 3.49Å
294Q87Confident90.6Very high145 Ų14565.4 Ų65.468%0.67832%0.323SS*.THydrogen-bonded Turntrans61.717-174.1-53.6-178.2-1.200114.4K290 E291 S292 Y296K290-Q294 PolarHBondContact O-N 2.76Å; E291-Q294 PolarHBondContact O-N 2.95Å; E291-Q294 VanDerWaalsContact O-N 3.1Å; S292-Q294 VanDerWaalsContact C-N 3.26Å; Q294-Y296 HydrophobicContact CB-CE2 3.87Å; Q294-Y296 HydrophobicContact CG-CE2 4.45Å; Q294-Y296 WeakPolarHBondContact O-CD2 3.35Å; Q294-Y296 PolarHBondContact O-N 2.94Å
295D88.3Confident90.5Very high61 Ų6167.3 Ų67.333%0.32634%0.337SS..  trans-86.266.6173.7-172.4-7.9000109.5K290 E293 Q297 A298 A299K290-D295 HydrophobicContact CB-CB 4.45Å; K290-D295 HydrophobicContact CD-CB 3.71Å; K290-D295 WeakPolarHBondContact CD-OD2 3.43Å; K290-D295 IonicContact NZ-OD2 3.78Å; K290-D295 PolarHBondContact NZ-OD2 3.3Å; K290-D295 VanDerWaalsContact NZ-OD2 3.14Å; K290-D295 PolarHBondContact O-N 2.98Å; E293-D295 PolarHBondContact O-N 3.49Å; D295-Q297 PolarHBondContact O-N 2.95Å; D295-A298 HydrophobicContact CB-CB 4.39Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 3.29Å; D295-A298 VanDerWaalsContact OD1-CB 3.26Å; D295-A298 WeakPolarHBondContact OD1-CB 3.35Å; D295-A298 PolarHBondContact OD1-N 3.21Å; D295-A298 WeakPolarHBondContact OD2-CB 3.32Å; D295-A299 WeakPolarHBondContact O-CB 3.31Å; D295-A299 PolarHBondContact O-N 3.45Å
296Y89.8Confident90.5Very high59 Ų5965.5 Ų65.523%0.23132%0.318CS..Hα-helixtrans-60.3-29.6-173.7-62.9-65.1000113.5E291 Q294 F300 I340 H344E291-Y296 HydrophobicContact CG-CD1 4.4Å; E291-Y296 HydrophobicContact CG-CE1 4.09Å; Q294-Y296 HydrophobicContact CB-CE2 3.87Å; Q294-Y296 HydrophobicContact CG-CE2 4.45Å; Q294-Y296 WeakPolarHBondContact O-CD2 3.35Å; Q294-Y296 PolarHBondContact O-N 2.94Å; Y296-F300 WeakPolarHBondContact O-CB 3.33Å; Y296-F300 PolarHBondContact O-N 2.92Å; Y296-I340 HydrophobicContact CD1-CG2 4.16Å; Y296-I340 HydrophobicContact CG-CG2 4.49Å; Y296-I340 WeakPolarHBondContact O-CG2 3.39Å; Y296-H344 HydrophobicContact CD1-CB 4.35Å; Y296-H344 AromaticContact CD1-CD2 3.47Å; Y296-H344 VanDerWaalsContact CD1-CD2 3.47Å; Y296-H344 WeakPolarHBondContact CD1-CD2 3.44Å; Y296-H344 AromaticContact CD1-CG 3.96Å; Y296-H344 HydrophobicContact CD2-CB 3.9Å; Y296-H344 AromaticContact CD2-CG 3.78Å; Y296-H344 AromaticContact CE1-CD2 3.56Å; Y296-H344 AromaticContact CE1-NE2 3.69Å; Y296-H344 HydrophobicContact CG-CB 3.75Å; Y296-H344 AromaticContact CG-CD2 3.75Å; Y296-H344 AromaticContact CG-CG 3.74Å; Y296-H344 AromaticContact CZ-CD2 3.92Å; Y296-H344 AromaticContact CZ-NE2 3.79Å
297Q87.3Confident90.6Very high102 Ų10260.6 Ų60.648%0.47730%0.297SS..Hα-helixtrans-69.7-45.7176.7-177.763.928.600111.3D295 L301 L345D295-Q297 PolarHBondContact O-N 2.95Å; Q297-L301 WeakPolarHBondContact O-CG 3.32Å; Q297-L301 PolarHBondContact O-N 3.44Å; Q297-L345 HydrophobicContact CB-CD2 4.31Å
298A86.2Confident90.4Very high18 Ų1864.3 Ų64.315%0.14932%0.317CS..Hα-helixtrans-68.5-40.817400000111.6K290 D295 F300 L301 Y302K290-A298 HydrophobicContact CB-CB 4.38Å; K290-A298 HydrophobicContact CD-CB 3.86Å; K290-A298 HydrophobicContact CG-CB 4.08Å; D295-A298 HydrophobicContact CB-CB 4.39Å; D295-A298 VanDerWaalsContact CG-CB 3.41Å; D295-A298 PolarHBondContact O-N 3.29Å; D295-A298 VanDerWaalsContact OD1-CB 3.26Å; D295-A298 WeakPolarHBondContact OD1-CB 3.35Å; D295-A298 PolarHBondContact OD1-N 3.21Å; D295-A298 WeakPolarHBondContact OD2-CB 3.32Å; A298-F300 VanDerWaalsContact C-N 3.33Å; A298-F300 PolarHBondContact O-N 3.44Å; A298-L301 PolarHBondContact O-N 2.98Å; A298-Y302 HydrophobicContact CB-CD2 4.38Å; A298-Y302 HydrophobicContact CB-CE2 4.31Å; A298-Y302 WeakPolarHBondContact O-CD2 3.31Å; A298-Y302 PolarHBondContact O-N 3.06Å
299A91.3Very high90.3Very high0 Ų063.2 Ų63.20%031%0.309CS..Hα-helixtrans-55.5-47.5177.200000111.6A287 K290 E291 D295 L301 Y302 Y303 I340A287-A299 WeakPolarHBondContact O-CB 3.21Å; K290-A299 HydrophobicContact CB-CB 3.88Å; E291-A299 HydrophobicContact CB-CB 4.21Å; D295-A299 WeakPolarHBondContact O-CB 3.31Å; D295-A299 PolarHBondContact O-N 3.45Å; A299-L301 PolarHBondContact O-N 3.01Å; A299-Y302 PolarHBondContact O-N 2.9Å; A299-Y303 WeakPolarHBondContact O-CD2 3.04Å; A299-Y303 PolarHBondContact O-N 3.09Å; A299-I340 HydrophobicContact CB-CD1 4.42Å
300F91.9Very high90.2Very high53 Ų5359.1 Ų59.123%0.23229%0.29CS..Hα-helixtrans-58.8-44.8176178.9-103.3000112.9Y296 A298 Y302 Y303 R304 A337 I340 L345Y296-F300 WeakPolarHBondContact O-CB 3.33Å; Y296-F300 PolarHBondContact O-N 2.92Å; A298-F300 VanDerWaalsContact C-N 3.33Å; A298-F300 PolarHBondContact O-N 3.44Å; F300-Y302 PolarHBondContact O-N 2.91Å; F300-Y303 PolarHBondContact O-N 3.07Å; F300-R304 WeakPolarHBondContact O-CB 3.43Å; F300-R304 PolarHBondContact O-N 2.71Å; F300-A337 HydrophobicContact CD2-CB 4.06Å; F300-A337 VanDerWaalsContact CD2-O 3.32Å; F300-A337 WeakPolarHBondContact CD2-O 3.39Å; F300-A337 HydrophobicContact CE2-CB 4.09Å; F300-I340 HydrophobicContact CB-CG2 4.26Å; F300-L345 HydrophobicContact CB-CD1 3.84Å; F300-L345 HydrophobicContact CD1-CD1 4.08Å; F300-L345 HydrophobicContact CD2-CD1 4.44Å; F300-L345 HydrophobicContact CG-CD1 3.86Å
301L89.1Confident90.1Very high88 Ų8860.4 Ų60.446%0.46130%0.299SS..Hα-helixtrans-64.8-38.2178.2-68.9171.6000112.5Q297 A298 A299 S305Q297-L301 WeakPolarHBondContact O-CG 3.32Å; Q297-L301 PolarHBondContact O-N 3.44Å; A298-L301 PolarHBondContact O-N 2.98Å; A299-L301 PolarHBondContact O-N 3.01Å; L301-S305 WeakPolarHBondContact O-CB 3.22Å; L301-S305 PolarHBondContact O-N 2.99Å; L301-S305 PolarHBondContact O-OG 3.07Å
302Y92.5Very high89.8Confident88 Ų8865.7 Ų65.735%0.34532%0.323SS..Hα-helixtrans-71.5-40.7175.4-76.1-61.8000112.5L283 F286 K290 A298 A299 F300 S305 G306L283-Y302 HydrophobicContact CD2-CD1 3.84Å; L283-Y302 HydrophobicContact CD2-CE1 4.19Å; F286-Y302 HydrophobicContact CB-CD1 4.04Å; F286-Y302 HydrophobicContact CB-CD2 4.21Å; F286-Y302 HydrophobicContact CB-CE1 4.24Å; F286-Y302 HydrophobicContact CB-CE2 4.41Å; F286-Y302 HydrophobicContact CB-CG 4.04Å; K290-Y302 HydrophobicContact CG-CD2 4.13Å; K290-Y302 HydrophobicContact CG-CE2 4.19Å; A298-Y302 HydrophobicContact CB-CD2 4.38Å; A298-Y302 HydrophobicContact CB-CE2 4.31Å; A298-Y302 WeakPolarHBondContact O-CD2 3.31Å; A298-Y302 PolarHBondContact O-N 3.06Å; A299-Y302 PolarHBondContact O-N 2.9Å; F300-Y302 PolarHBondContact O-N 2.91Å; Y302-S305 PolarHBondContact O-N 3.32Å; Y302-G306 PolarHBondContact O-N 2.69Å
303Y93.9Very high89.6Confident9 Ų962.4 Ų62.44%0.03530%0.303CS..Hα-helixtrans-58.7-48.4173.5-86.4-61000111.4I284 A287 V288 E291 A299 F300 G306 V307 Y333 R336 I340I284-Y303 HydrophobicContact CD1-CD1 3.75Å; I284-Y303 HydrophobicContact CD1-CE1 4.31Å; I284-Y303 HydrophobicContact CG2-CE1 4.41Å; A287-Y303 HydrophobicContact CB-CD1 3.75Å; A287-Y303 HydrophobicContact CB-CD2 3.59Å; A287-Y303 HydrophobicContact CB-CE1 3.88Å; A287-Y303 HydrophobicContact CB-CE2 3.72Å; A287-Y303 HydrophobicContact CB-CG 3.58Å; V288-Y303 VanDerWaalsContact CG2-OH 3.28Å; V288-Y303 WeakPolarHBondContact CG2-OH 3.48Å; E291-Y303 PolarHBondContact OE2-OH 3.29Å; A299-Y303 WeakPolarHBondContact O-CD2 3.04Å; A299-Y303 PolarHBondContact O-N 3.09Å; F300-Y303 PolarHBondContact O-N 3.07Å; Y303-G306 PolarHBondContact O-N 2.93Å; Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.98Å; Y303-Y333 HydrophobicContact CE1-CD1 4.17Å; Y303-R336 HydrophobicContact CE1-CB 4.4Å; Y303-R336 HydrophobicContact CE1-CG 4.18Å; Y303-R336 HydrophobicContact CE2-CG 3.95Å; Y303-I340 HydrophobicContact CD2-CD1 3.69Å; Y303-I340 HydrophobicContact CE2-CD1 3.43Å; Y303-I340 VanDerWaalsContact CE2-CD1 3.43Å
304R93Very high89.3Confident148 Ų14858.2 Ų58.256%0.55828%0.284SS*.Hα-helixtrans-57-51.9174.9177.6177.8174166.23.6111.7F300 G306 V307 D308F300-R304 WeakPolarHBondContact O-CB 3.43Å; F300-R304 PolarHBondContact O-N 2.71Å; R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.38Å; R304-V307 PolarHBondContact O-N 3.14Å; R304-V307 VanDerWaalsContact O-N 3.12Å; R304-D308 WeakPolarHBondContact CG-OD2 3.49Å; R304-D308 IonicContact NE-OD2 3.41Å; R304-D308 VanDerWaalsContact O-CG 3.29Å; R304-D308 PolarHBondContact O-N 3.4Å
305S91Very high88.9Confident51 Ų5159.3 Ų59.336%0.35729%0.289SS..Hα-helixtrans-61.1-34.6-178.3-55.70000112.8L301 Y302 L309L301-S305 WeakPolarHBondContact O-CB 3.22Å; L301-S305 PolarHBondContact O-N 2.99Å; L301-S305 PolarHBondContact O-OG 3.07Å; Y302-S305 PolarHBondContact O-N 3.32Å; S305-L309 PolarHBondContact O-N 2.95Å
306G91.7Very high88.1Confident0 Ų058.4 Ų58.40%029%0.294CS..Hα-helixtrans-69.8-43.9173.300000112.7Y302 Y303 R304 L309 L310Y302-G306 PolarHBondContact O-N 2.69Å; Y303-G306 PolarHBondContact O-N 2.93Å; R304-G306 VanDerWaalsContact C-N 3.26Å; R304-G306 PolarHBondContact O-N 3.38Å; G306-L309 PolarHBondContact O-N 3.35Å; G306-L310 WeakPolarHBondContact O-CG 3.39Å; G306-L310 PolarHBondContact O-N 3.03Å; G306-L310 VanDerWaalsContact O-N 3.08Å
307V92.9Very high87.7Confident7 Ų755.9 Ų55.94%0.04228%0.284CS..Hα-helixtrans-60.1-47.2175.4161.30000111.6Y303 R304 L309 L310 L311 T330 L334Y303-V307 WeakPolarHBondContact O-CG2 3.37Å; Y303-V307 PolarHBondContact O-N 2.98Å; R304-V307 PolarHBondContact O-N 3.14Å; R304-V307 VanDerWaalsContact O-N 3.12Å; V307-L309 VanDerWaalsContact C-N 3.27Å; V307-L309 PolarHBondContact O-N 3.01Å; V307-L310 PolarHBondContact O-N 2.94Å; V307-L310 VanDerWaalsContact O-N 3.1Å; V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.3Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 3.08Å; V307-T330 HydrophobicContact CB-CG2 4.45Å; V307-T330 HydrophobicContact CG1-CG2 3.9Å; V307-T330 HydrophobicContact CG2-CG2 4.33Å; V307-L334 HydrophobicContact CG1-CD1 4.05Å; V307-L334 HydrophobicContact CG1-CG 4.03Å; V307-L334 HydrophobicContact CG2-CG 4.37Å
308D90.5Very high86.8Confident78 Ų7856 Ų5642%0.41729%0.294SS..Hα-helixtrans-58.4-39.7-179.2-67.7-21.8000111.2R304 Q312R304-D308 WeakPolarHBondContact CG-OD2 3.49Å; R304-D308 IonicContact NE-OD2 3.41Å; R304-D308 VanDerWaalsContact O-CG 3.29Å; R304-D308 PolarHBondContact O-N 3.4Å; D308-Q312 WeakPolarHBondContact O-CB 3.4Å; D308-Q312 PolarHBondContact O-N 2.71Å
309L89.2Confident86.7Confident53 Ų5357.2 Ų57.228%0.27730%0.301SS..Hα-helixtrans-71.4-35175.3-83.8163.8000114A280 L283 S305 G306 V307 G313A280-L309 HydrophobicContact CB-CB 4.46Å; L283-L309 HydrophobicContact CD1-CD1 3.41Å; L283-L309 VanDerWaalsContact CD1-CD1 3.41Å; S305-L309 PolarHBondContact O-N 2.95Å; G306-L309 PolarHBondContact O-N 3.35Å; V307-L309 VanDerWaalsContact C-N 3.27Å; V307-L309 PolarHBondContact O-N 3.01Å; L309-G313 PolarHBondContact O-N 2.94Å
310L89.1Confident86Confident12 Ų1260 Ų606%0.06333%0.325CS..Hα-helixtrans-66.3-43172.9-67.7172.9000111L277 A280 G306 V307 G313 V314 V326 T330 Y333L277-L310 HydrophobicContact CD2-CD2 3.81Å; A280-L310 HydrophobicContact CB-CD2 3.52Å; A280-L310 HydrophobicContact CB-CG 3.74Å; G306-L310 WeakPolarHBondContact O-CG 3.39Å; G306-L310 PolarHBondContact O-N 3.03Å; G306-L310 VanDerWaalsContact O-N 3.08Å; V307-L310 PolarHBondContact O-N 2.94Å; V307-L310 VanDerWaalsContact O-N 3.1Å; L310-G313 PolarHBondContact O-N 2.95Å; L310-V314 VanDerWaalsContact O-CB 3.25Å; L310-V314 WeakPolarHBondContact O-CB 3.3Å; L310-V314 WeakPolarHBondContact O-CG1 3.34Å; L310-V314 PolarHBondContact O-N 2.63Å; L310-V326 HydrophobicContact CB-CG1 4.23Å; L310-V326 HydrophobicContact CD2-CG1 4.17Å; L310-T330 HydrophobicContact CB-CG2 4.3Å; L310-T330 WeakPolarHBondContact CB-OG1 3.37Å; L310-Y333 HydrophobicContact CD1-CD2 3.92Å; L310-Y333 HydrophobicContact CD1-CE2 4.17Å
311L88.2Confident85.3Confident81 Ų8161.7 Ų61.742%0.42434%0.343SS..Hα-helixtrans-64.4-39.5176.8-70.1174.9000112.4V307 V314 T330V307-L311 HydrophobicContact CG1-CD1 3.84Å; V307-L311 HydrophobicContact CG1-CG 4.3Å; V307-L311 WeakPolarHBondContact O-CG 3.49Å; V307-L311 PolarHBondContact O-N 3.08Å; L311-V314 WeakPolarHBondContact O-CG1 3.32Å; L311-T330 HydrophobicContact CD2-CG2 3.83Å; L311-T330 HydrophobicContact CG-CG2 3.88Å
312Q84.8Confident84.8Confident145 Ų14562.3 Ų62.368%0.67834%0.339SS*.Hα-helixtrans-69.4-41.8176-168174.742.400112.1D308D308-Q312 WeakPolarHBondContact O-CB 3.4Å; D308-Q312 PolarHBondContact O-N 2.71Å
313G82.9Confident84.5Confident15 Ų1563 Ų6316%0.15534%0.341CS..Hα-helixtrans-74.4-35.1-178.400000114.6L309 L310 Q315 G316L309-G313 PolarHBondContact O-N 2.94Å; L310-G313 PolarHBondContact O-N 2.95Å; G313-Q315 PolarHBondContact O-N 3.07Å; G313-G316 PolarHBondContact O-N 3.3Å
314V85.6Confident83.8Confident10 Ų1069 Ų696%0.06137%0.37CS..Hα-helixtrans-66.3-20.7-175.776.10000113.5L310 L311 G316 R323 V326 K327L310-V314 VanDerWaalsContact O-CB 3.25Å; L310-V314 WeakPolarHBondContact O-CB 3.3Å; L310-V314 WeakPolarHBondContact O-CG1 3.34Å; L310-V314 PolarHBondContact O-N 2.63Å; L311-V314 WeakPolarHBondContact O-CG1 3.32Å; V314-G316 VanDerWaalsContact C-N 3.26Å; V314-G316 PolarHBondContact O-N 3.2Å; V314-R323 HydrophobicContact CG2-CB 4.31Å; V314-R323 HydrophobicContact CG2-CG 3.52Å; V314-V326 HydrophobicContact CB-CB 4.46Å; V314-V326 HydrophobicContact CB-CG1 3.77Å; V314-V326 HydrophobicContact CG2-CB 3.87Å; V314-V326 HydrophobicContact CG2-CG1 3.71Å; V314-K327 HydrophobicContact CG2-CG 4.28Å
315Q77.1Confident83.3Confident168 Ų16864.7 Ų64.779%0.78537%0.365SS*.THydrogen-bonded Turntrans-64.9-30171.2-64.1-177.51.400112.3G313G313-Q315 PolarHBondContact O-N 3.07Å
316G73Confident83.1Confident41 Ų4163 Ų6342%0.42335%0.352SS..THydrogen-bonded Turntrans-92.33.1-177.500000115.8K273 G313 V314 P318K273-G316 PolarHBondContact NZ-O 3.25Å; G313-G316 PolarHBondContact O-N 3.3Å; V314-G316 VanDerWaalsContact C-N 3.26Å; V314-G316 PolarHBondContact O-N 3.2Å; G316-P318 WeakPolarHBondContact O-CD 3.22Å
317E80.3Confident82.8Confident6 Ų669.2 Ų69.23%0.02838%0.38CS..  trans-80.9117.2-173-87.8-65.4164.300113.5Y276 R322 R323Y276-E317 WeakPolarHBondContact CE1-OE1 3.47Å; Y276-E317 VanDerWaalsContact OH-CD 3.28Å; Y276-E317 WeakPolarHBondContact OH-CG 3.39Å; Y276-E317 PolarHBondContact OH-OE1 3.36Å; E317-R322 IonicContact OE1-CZ 2.94Å; E317-R322 IonicContact OE1-NH1 3.13Å; E317-R322 PolarHBondContact OE1-NH1 3.3Å; E317-R322 IonicContact OE1-NH2 2.68Å; E317-R322 PolarHBondContact OE1-NH2 3.01Å; E317-R322 IonicContact OE2-CZ 2.68Å; E317-R322 VanDerWaalsContact OE2-CZ 3.31Å; E317-R322 IonicContact OE2-NE 2.83Å; E317-R322 IonicContact OE2-NH1 3.06Å; E317-R322 PolarHBondContact OE2-NH1 2.88Å; E317-R322 IonicContact OE2-NH2 3.91Å; E317-R323 HydrophobicContact CB-CB 4.29Å; E317-R323 HydrophobicContact CB-CG 4.33Å; E317-R323 PolarHBondContact O-NE 3.29Å; E317-R323 VanDerWaalsContact O-NE 3.17Å; E317-R323 PolarHBondContact O-NH2 2.94Å
318P69.3Low82.4Confident104 Ų10475.7 Ų75.768%0.67541%0.407SS*.  trans-77.2-20.7179.731.7-35.6000113.8G316G316-P318 WeakPolarHBondContact O-CD 3.22Å
319S83.2Confident82.2Confident45 Ų4576.6 Ų76.632%0.31541%0.407SS..  trans-92.1116.9179.4172.60000110.7S321 R322 R323S319-S321 PolarHBondContact O-N 2.98Å; S319-R322 PolarHBondContact O-N 3.47Å; S319-R322 PolarHBondContact OG-N 2.77Å; S319-R323 WeakPolarHBondContact O-CB 3.39Å; S319-R323 PolarHBondContact O-N 3.45Å
320A76.3Confident82.3Confident59 Ų5974.2 Ų74.249%0.48840%0.395SS..Hα-helixtrans-55.8-47.4177.500000112.2R322 R323 E324A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.3Å; A320-R323 WeakPolarHBondContact O-CA 3.15Å; A320-R323 VanDerWaalsContact O-CB 3.27Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.25Å; A320-E324 PolarHBondContact O-N 2.98Å
321S77.5Confident82.1Confident88 Ų8876.1 Ų76.162%0.61541%0.412SS*.Hα-helixtrans-63.9-35.1180-43.50000113.2S319 A325S319-S321 PolarHBondContact O-N 2.98Å; S321-A325 WeakPolarHBondContact O-CB 3.48Å; S321-A325 PolarHBondContact O-N 3.49Å; S321-A325 VanDerWaalsContact O-N 3.08Å
322R78.8Confident82Confident100 Ų10075.5 Ų75.538%0.37741%0.407SS..Hα-helixtrans-68.8-41.6170.8-70.3-178.565.5-136.60.3111.1L277 E317 S319 A320 E324 A325 V326L277-R322 VanDerWaalsContact CD1-NH2 3.25Å; E317-R322 IonicContact OE1-CZ 2.94Å; E317-R322 IonicContact OE1-NH1 3.13Å; E317-R322 PolarHBondContact OE1-NH1 3.3Å; E317-R322 IonicContact OE1-NH2 2.68Å; E317-R322 PolarHBondContact OE1-NH2 3.01Å; E317-R322 IonicContact OE2-CZ 2.68Å; E317-R322 VanDerWaalsContact OE2-CZ 3.31Å; E317-R322 IonicContact OE2-NE 2.83Å; E317-R322 IonicContact OE2-NH1 3.06Å; E317-R322 PolarHBondContact OE2-NH1 2.88Å; E317-R322 IonicContact OE2-NH2 3.91Å; S319-R322 PolarHBondContact O-N 3.47Å; S319-R322 PolarHBondContact OG-N 2.77Å; A320-R322 VanDerWaalsContact C-N 3.34Å; A320-R322 PolarHBondContact O-N 3.3Å; R322-E324 VanDerWaalsContact C-N 3.33Å; R322-E324 PolarHBondContact O-N 2.98Å; R322-A325 PolarHBondContact O-N 3.19Å; R322-V326 WeakPolarHBondContact O-CB 3.33Å; R322-V326 VanDerWaalsContact O-CG2 3.31Å; R322-V326 WeakPolarHBondContact O-CG2 3.28Å; R322-V326 PolarHBondContact O-N 3.02Å
323R85.4Confident82.3Confident104 Ų10471.6 Ų71.639%0.39239%0.387SS..Hα-helixtrans-58.4-43.6177.6-157.3-172.6-64.2168.80111.7V314 E317 S319 A320 K327V314-R323 HydrophobicContact CG2-CB 4.31Å; V314-R323 HydrophobicContact CG2-CG 3.52Å; E317-R323 HydrophobicContact CB-CB 4.29Å; E317-R323 HydrophobicContact CB-CG 4.33Å; E317-R323 PolarHBondContact O-NE 3.29Å; E317-R323 VanDerWaalsContact O-NE 3.17Å; E317-R323 PolarHBondContact O-NH2 2.94Å; S319-R323 WeakPolarHBondContact O-CB 3.39Å; S319-R323 PolarHBondContact O-N 3.45Å; A320-R323 WeakPolarHBondContact O-CA 3.15Å; A320-R323 VanDerWaalsContact O-CB 3.27Å; A320-R323 WeakPolarHBondContact O-CB 3.42Å; A320-R323 PolarHBondContact O-N 3.25Å; R323-K327 WeakPolarHBondContact O-CB 3.39Å; R323-K327 WeakPolarHBondContact O-CG 3.28Å; R323-K327 PolarHBondContact O-N 3.42Å
324E80.3Confident82.6Confident135 Ų13575.1 Ų75.163%0.63140%0.402SS*.Hα-helixtrans-67.9-44.6175.6-71.9173.7174.500112.7A320 R322 V326 K327 K328A320-E324 PolarHBondContact O-N 2.98Å; R322-E324 VanDerWaalsContact C-N 3.33Å; R322-E324 PolarHBondContact O-N 2.98Å; E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.34Å; E324-K327 PolarHBondContact O-N 2.89Å; E324-K328 WeakPolarHBondContact O-CB 3.49Å; E324-K328 PolarHBondContact O-N 3.18Å
325A81.6Confident82.6Confident57 Ų5779.5 Ų79.547%0.47142%0.423SS..Hα-helixtrans-60.4-41.6176.400000112.2S321 R322 K329S321-A325 WeakPolarHBondContact O-CB 3.48Å; S321-A325 PolarHBondContact O-N 3.49Å; S321-A325 VanDerWaalsContact O-N 3.08Å; R322-A325 PolarHBondContact O-N 3.19Å; A325-K329 PolarHBondContact O-N 2.99Å
326V87.8Confident83Confident14 Ų1476 Ų769%0.08540%0.402CS..Hα-helixtrans-66.4-46.9175172.80000111L277 L310 V314 R322 E324 K328 K329 T330L277-V326 HydrophobicContact CD2-CG2 3.75Å; L310-V326 HydrophobicContact CB-CG1 4.23Å; L310-V326 HydrophobicContact CD2-CG1 4.17Å; V314-V326 HydrophobicContact CB-CB 4.46Å; V314-V326 HydrophobicContact CB-CG1 3.77Å; V314-V326 HydrophobicContact CG2-CB 3.87Å; V314-V326 HydrophobicContact CG2-CG1 3.71Å; R322-V326 WeakPolarHBondContact O-CB 3.33Å; R322-V326 VanDerWaalsContact O-CG2 3.31Å; R322-V326 WeakPolarHBondContact O-CG2 3.28Å; R322-V326 PolarHBondContact O-N 3.02Å; E324-V326 VanDerWaalsContact C-N 3.32Å; E324-V326 PolarHBondContact O-N 3.34Å; V326-K328 VanDerWaalsContact C-N 3.33Å; V326-K328 PolarHBondContact O-N 3.31Å; V326-K329 PolarHBondContact O-N 3.35Å; V326-T330 WeakPolarHBondContact O-CB 3.48Å; V326-T330 PolarHBondContact O-N 2.97Å; V326-T330 PolarHBondContact O-OG1 3.38Å
327K85Confident83.7Confident131 Ų13174.4 Ų74.457%0.5739%0.386SS*.Hα-helixtrans-55.3-47.4174.8-79.8-177.3173.8-166.50111.8V314 R323 E324 T330 A331V314-K327 HydrophobicContact CG2-CG 4.28Å; R323-K327 WeakPolarHBondContact O-CB 3.39Å; R323-K327 WeakPolarHBondContact O-CG 3.28Å; R323-K327 PolarHBondContact O-N 3.42Å; E324-K327 PolarHBondContact O-N 2.89Å; K327-T330 WeakPolarHBondContact O-CB 3.37Å; K327-T330 PolarHBondContact O-N 3.38Å; K327-A331 PolarHBondContact O-N 3.31Å
328K85.2Confident83.9Confident144 Ų14480.6 Ų80.663%0.62641%0.414SS*.Hα-helixtrans-59.9-48.1177.8-178175.2177.4176.40112E324 V326 T330 A331 E332E324-K328 WeakPolarHBondContact O-CB 3.49Å; E324-K328 PolarHBondContact O-N 3.18Å; V326-K328 VanDerWaalsContact C-N 3.33Å; V326-K328 PolarHBondContact O-N 3.31Å; K328-T330 VanDerWaalsContact C-N 3.33Å; K328-T330 PolarHBondContact O-N 3.03Å; K328-A331 PolarHBondContact O-N 3.03Å; K328-E332 WeakPolarHBondContact CE-OE1 3.42Å; K328-E332 WeakPolarHBondContact O-CG 3.33Å; K328-E332 PolarHBondContact O-N 3.31Å; K328-E332 VanDerWaalsContact O-N 3.08Å
329K85.9Confident84.6Confident96 Ų9680 Ų8042%0.41740%0.402SS..Hα-helixtrans-64.7-36.9177.5-79.1-73.8164.4-163.30112.8A325 V326 A331 E332 Y333A325-K329 PolarHBondContact O-N 2.99Å; V326-K329 PolarHBondContact O-N 3.35Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 2.75Å; K329-E332 WeakPolarHBondContact CE-OE2 3.43Å; K329-E332 IonicContact NZ-OE1 3.57Å; K329-E332 IonicContact NZ-OE2 2.85Å; K329-E332 PolarHBondContact NZ-OE2 3.49Å; K329-E332 PolarHBondContact O-N 3.22Å; K329-Y333 HydrophobicContact CB-CE2 4.02Å; K329-Y333 HydrophobicContact CD-CE2 4.41Å; K329-Y333 WeakPolarHBondContact O-CD2 3.49Å; K329-Y333 PolarHBondContact O-N 3.21Å
330T91.1Very high84.6Confident4 Ų477.9 Ų77.93%0.02539%0.388CS..Hα-helixtrans-61.1-43.3175.6-51.60000111.1V307 L310 L311 V326 K327 K328 Y333 L334V307-T330 HydrophobicContact CB-CG2 4.45Å; V307-T330 HydrophobicContact CG1-CG2 3.9Å; V307-T330 HydrophobicContact CG2-CG2 4.33Å; L310-T330 HydrophobicContact CB-CG2 4.3Å; L310-T330 WeakPolarHBondContact CB-OG1 3.37Å; L311-T330 HydrophobicContact CD2-CG2 3.83Å; L311-T330 HydrophobicContact CG-CG2 3.88Å; V326-T330 WeakPolarHBondContact O-CB 3.48Å; V326-T330 PolarHBondContact O-N 2.97Å; V326-T330 PolarHBondContact O-OG1 3.38Å; K327-T330 WeakPolarHBondContact O-CB 3.37Å; K327-T330 PolarHBondContact O-N 3.38Å; K328-T330 VanDerWaalsContact C-N 3.33Å; K328-T330 PolarHBondContact O-N 3.03Å; T330-Y333 PolarHBondContact O-N 3.07Å; T330-L334 WeakPolarHBondContact O-CB 3.17Å; T330-L334 PolarHBondContact O-N 3.43Å
331A84.4Confident84.9Confident51 Ų5176.8 Ų76.842%0.42138%0.376SS..Hα-helixtrans-64.2-40.7174.700000112.9K327 K328 K329 Y333 L334 M335K327-A331 PolarHBondContact O-N 3.31Å; K328-A331 PolarHBondContact O-N 3.03Å; K329-A331 VanDerWaalsContact C-N 3.34Å; K329-A331 PolarHBondContact O-N 2.75Å; A331-Y333 VanDerWaalsContact C-N 3.32Å; A331-Y333 PolarHBondContact O-N 2.88Å; A331-L334 PolarHBondContact O-N 3.35Å; A331-M335 PolarHBondContact O-N 2.96Å
332E86.3Confident84.8Confident68 Ų6874.3 Ų74.332%0.31837%0.365SS..Hα-helixtrans-59.9-40.2174.1-69.9172.6-154.800112.1K328 K329 R336K328-E332 WeakPolarHBondContact CE-OE1 3.42Å; K328-E332 WeakPolarHBondContact O-CG 3.33Å; K328-E332 PolarHBondContact O-N 3.31Å; K328-E332 VanDerWaalsContact O-N 3.08Å; K329-E332 WeakPolarHBondContact CE-OE2 3.43Å; K329-E332 IonicContact NZ-OE1 3.57Å; K329-E332 IonicContact NZ-OE2 2.85Å; K329-E332 PolarHBondContact NZ-OE2 3.49Å; K329-E332 PolarHBondContact O-N 3.22Å; E332-R336 PolarHBondContact O-N 3.24Å
333Y90.7Very high84.6Confident63 Ų6375.4 Ų75.425%0.24738%0.378CS..Hα-helixtrans-74.9-32.9176.5-58.9-44.5000113.4I284 Y303 L310 K329 T330 A331 R336 A337I284-Y333 HydrophobicContact CD1-CD1 4.2Å; I284-Y333 HydrophobicContact CD1-CD2 3.85Å; I284-Y333 HydrophobicContact CD1-CE2 4.39Å; I284-Y333 HydrophobicContact CD1-CG 3.77Å; I284-Y333 HydrophobicContact CG1-CD2 4.07Å; I284-Y333 HydrophobicContact CG1-CE2 4.13Å; I284-Y333 HydrophobicContact CG1-CG 4.38Å; I284-Y333 HydrophobicContact CG2-CD1 3.96Å; I284-Y333 HydrophobicContact CG2-CE1 3.56Å; I284-Y333 HydrophobicContact CG2-CE2 4.22Å; I284-Y333 HydrophobicContact CG2-CG 4.47Å; Y303-Y333 HydrophobicContact CE1-CD1 4.17Å; L310-Y333 HydrophobicContact CD1-CD2 3.92Å; L310-Y333 HydrophobicContact CD1-CE2 4.17Å; K329-Y333 HydrophobicContact CB-CE2 4.02Å; K329-Y333 HydrophobicContact CD-CE2 4.41Å; K329-Y333 WeakPolarHBondContact O-CD2 3.49Å; K329-Y333 PolarHBondContact O-N 3.21Å; T330-Y333 PolarHBondContact O-N 3.07Å; A331-Y333 VanDerWaalsContact C-N 3.32Å; A331-Y333 PolarHBondContact O-N 2.88Å; Y333-R336 PolarHBondContact O-N 3.06Å; Y333-A337 PolarHBondContact O-N 2.8Å
334L90.4Very high83.9Confident89 Ų8974.3 Ų74.347%0.46638%0.377SS..Hα-helixtrans-61.9-50.2173.2-109.2160.5000111.7V307 T330 A331 R336 A337 E338V307-L334 HydrophobicContact CG1-CD1 4.05Å; V307-L334 HydrophobicContact CG1-CG 4.03Å; V307-L334 HydrophobicContact CG2-CG 4.37Å; T330-L334 WeakPolarHBondContact O-CB 3.17Å; T330-L334 PolarHBondContact O-N 3.43Å; A331-L334 PolarHBondContact O-N 3.35Å; L334-R336 PolarHBondContact O-N 2.67Å; L334-A337 WeakPolarHBondContact O-CB 3.49Å; L334-A337 PolarHBondContact O-N 2.96Å; L334-A337 VanDerWaalsContact O-N 3.15Å; L334-E338 PolarHBondContact O-N 2.97Å
335M85.6Confident83.2Confident103 Ų10369.8 Ų69.851%0.50736%0.357SS..Hα-helixtrans-58.3-33.4174.4-70.6-170.1-62.300112.1A331 Q339A331-M335 PolarHBondContact O-N 2.96Å; M335-Q339 WeakPolarHBondContact O-CB 3.4Å; M335-Q339 WeakPolarHBondContact O-CG 3.42Å; M335-Q339 PolarHBondContact O-N 3.21Å
336R85.2Confident82.2Confident94 Ų9477.5 Ų77.536%0.35537%0.374SS..Hα-helixtrans-72.2-40.2177-16851.1164-164.7-1.9112.6E291 Y303 E332 Y333 L334 E338 Q339 I340E291-R336 IonicContact OE1-CZ 2.79Å; E291-R336 IonicContact OE1-NE 3.66Å; E291-R336 PolarHBondContact OE1-NE 3.23Å; E291-R336 IonicContact OE1-NH2 3.82Å; E291-R336 PolarHBondContact OE1-NH2 3.25Å; E291-R336 IonicContact OE2-CZ 3.88Å; E291-R336 IonicContact OE2-NE 2.97Å; E291-R336 PolarHBondContact OE2-NE 3.03Å; E291-R336 IonicContact OE2-NH2 2.64Å; Y303-R336 HydrophobicContact CE1-CB 4.4Å; Y303-R336 HydrophobicContact CE1-CG 4.18Å; Y303-R336 HydrophobicContact CE2-CG 3.95Å; E332-R336 PolarHBondContact O-N 3.24Å; Y333-R336 PolarHBondContact O-N 3.06Å; L334-R336 PolarHBondContact O-N 2.67Å; R336-E338 VanDerWaalsContact C-N 3.32Å; R336-E338 PolarHBondContact O-N 3.29Å; R336-Q339 PolarHBondContact O-N 2.8Å; R336-I340 HydrophobicContact CG-CD1 4.25Å; R336-I340 WeakPolarHBondContact O-CG1 3.43Å; R336-I340 PolarHBondContact O-N 3.26Å; R336-I340 VanDerWaalsContact O-N 3.09Å
337A87.3Confident80.3Confident8 Ų881.7 Ų81.77%0.06640%0.404CS..Hα-helixtrans-61.1-4217300000111.7F300 Y333 L334 I340 S341F300-A337 HydrophobicContact CD2-CB 4.06Å; F300-A337 VanDerWaalsContact CD2-O 3.32Å; F300-A337 WeakPolarHBondContact CD2-O 3.39Å; F300-A337 HydrophobicContact CE2-CB 4.09Å; Y333-A337 PolarHBondContact O-N 2.8Å; L334-A337 WeakPolarHBondContact O-CB 3.49Å; L334-A337 PolarHBondContact O-N 2.96Å; L334-A337 VanDerWaalsContact O-N 3.15Å; A337-I340 PolarHBondContact O-N 3Å; A337-S341 PolarHBondContact O-N 3.06Å
338E85.1Confident78.2Confident135 Ų13582.5 Ų82.563%0.63141%0.414SS*.Hα-helixtrans-64.6-45.1176.3-172.6-177.5-169.900112.5L334 R336 I340 S341 G342L334-E338 PolarHBondContact O-N 2.97Å; R336-E338 VanDerWaalsContact C-N 3.32Å; R336-E338 PolarHBondContact O-N 3.29Å; E338-I340 VanDerWaalsContact C-N 3.29Å; E338-I340 PolarHBondContact O-N 3.24Å; E338-S341 PolarHBondContact O-N 3.39Å; E338-S341 PolarHBondContact O-OG 3.46Å; E338-S341 VanDerWaalsContact O-OG 3.09Å; E338-G342 PolarHBondContact O-N 2.96Å
339Q83.7Confident76.2Confident91 Ų9184.9 Ų84.943%0.42543%0.43SS..Hα-helixtrans-56.3-43.7173.9-76167.112.400111.8M335 R336 L343M335-Q339 WeakPolarHBondContact O-CB 3.4Å; M335-Q339 WeakPolarHBondContact O-CG 3.42Å; M335-Q339 PolarHBondContact O-N 3.21Å; R336-Q339 PolarHBondContact O-N 2.8Å; Q339-L343 VanDerWaalsContact O-CB 3.27Å; Q339-L343 WeakPolarHBondContact O-CB 3.49Å; Q339-L343 VanDerWaalsContact O-CG 3.29Å; Q339-L343 WeakPolarHBondContact O-CG 3.4Å; Q339-L343 PolarHBondContact O-N 3.47Å
340I84.1Confident74Confident2 Ų283.1 Ų83.11%0.0144%0.439CS..Hα-helixtrans-66.7-42.3178.8-68.6166.8000111E291 Y296 A299 F300 Y303 R336 A337 E338 H344E291-I340 HydrophobicContact CG-CD1 4.18Å; Y296-I340 HydrophobicContact CD1-CG2 4.16Å; Y296-I340 HydrophobicContact CG-CG2 4.49Å; Y296-I340 WeakPolarHBondContact O-CG2 3.39Å; A299-I340 HydrophobicContact CB-CD1 4.42Å; F300-I340 HydrophobicContact CB-CG2 4.26Å; Y303-I340 HydrophobicContact CD2-CD1 3.69Å; Y303-I340 HydrophobicContact CE2-CD1 3.43Å; Y303-I340 VanDerWaalsContact CE2-CD1 3.43Å; R336-I340 HydrophobicContact CG-CD1 4.25Å; R336-I340 WeakPolarHBondContact O-CG1 3.43Å; R336-I340 PolarHBondContact O-N 3.26Å; R336-I340 VanDerWaalsContact O-N 3.09Å; A337-I340 PolarHBondContact O-N 3Å; E338-I340 VanDerWaalsContact C-N 3.29Å; E338-I340 PolarHBondContact O-N 3.24Å; I340-H344 WeakPolarHBondContact O-CB 3.32Å; I340-H344 PolarHBondContact O-N 2.93Å
341S82.8Confident71.6Confident35 Ų3592.9 Ų92.925%0.24548%0.484CS..Iπ-helixtrans-67.4-42.8178.880.10000112.1A337 E338 L345 R346A337-S341 PolarHBondContact O-N 3.06Å; E338-S341 PolarHBondContact O-N 3.39Å; E338-S341 PolarHBondContact O-OG 3.46Å; E338-S341 VanDerWaalsContact O-OG 3.09Å; S341-L345 CarbonylContact O-C 3.6Å; S341-L345 PolarHBondContact O-N 2.88Å; S341-L345 VanDerWaalsContact O-N 3.1Å; S341-R346 PolarHBondContact O-N 2.72Å
342G74.2Confident69Low37 Ų3794.4 Ų94.438%0.38150%0.504SS..Iπ-helixtrans-68.4-39.2-179.900000114.2E338E338-G342 PolarHBondContact O-N 2.96Å
343L74.5Confident66.3Low123 Ų12396.6 Ų96.664%0.64453%0.527SS*.Iπ-helixtrans-89.8-29.7-177-64.5173.4000114.1Q339Q339-L343 VanDerWaalsContact O-CB 3.27Å; Q339-L343 WeakPolarHBondContact O-CB 3.49Å; Q339-L343 VanDerWaalsContact O-CG 3.29Å; Q339-L343 WeakPolarHBondContact O-CG 3.4Å; Q339-L343 PolarHBondContact O-N 3.47Å
344H70.3Confident63.4Low80 Ų80100.6 Ų100.637%0.3756%0.558SS.*Iπ-helixtrans-123.1-21.1-169.5-57.7-55.7000115.1Y296 I340Y296-H344 HydrophobicContact CD1-CB 4.35Å; Y296-H344 AromaticContact CD1-CD2 3.47Å; Y296-H344 VanDerWaalsContact CD1-CD2 3.47Å; Y296-H344 WeakPolarHBondContact CD1-CD2 3.44Å; Y296-H344 AromaticContact CD1-CG 3.96Å; Y296-H344 HydrophobicContact CD2-CB 3.9Å; Y296-H344 AromaticContact CD2-CG 3.78Å; Y296-H344 AromaticContact CE1-CD2 3.56Å; Y296-H344 AromaticContact CE1-NE2 3.69Å; Y296-H344 HydrophobicContact CG-CB 3.75Å; Y296-H344 AromaticContact CG-CD2 3.75Å; Y296-H344 AromaticContact CG-CG 3.74Å; Y296-H344 AromaticContact CZ-CD2 3.92Å; Y296-H344 AromaticContact CZ-NE2 3.79Å; I340-H344 WeakPolarHBondContact O-CB 3.32Å; I340-H344 PolarHBondContact O-N 2.93Å
345L67Low60.4Low40 Ų40105.4 Ų105.421%0.20958%0.579CS.*Iπ-helixtrans-107.6-28.9-176.3-51.9-176.9000114Q297 F300 S341 S347 N348Q297-L345 HydrophobicContact CB-CD2 4.31Å; F300-L345 HydrophobicContact CB-CD1 3.84Å; F300-L345 HydrophobicContact CD1-CD1 4.08Å; F300-L345 HydrophobicContact CD2-CD1 4.44Å; F300-L345 HydrophobicContact CG-CD1 3.86Å; S341-L345 CarbonylContact O-C 3.6Å; S341-L345 PolarHBondContact O-N 2.88Å; S341-L345 VanDerWaalsContact O-N 3.1Å; L345-S347 PolarHBondContact O-N 2.74Å; L345-N348 PolarHBondContact O-N 2.67Å
346R58.9Low57.6Low219 Ų219107.3 Ų107.383%0.82660%0.596SS**THydrogen-bonded Turntrans-60-14.3177.4-98.1-172.5174179.2-0.8115S341S341-R346 PolarHBondContact O-N 2.72Å
347S48.3Very low54.9Low103 Ų103108.9 Ų108.972%0.7262%0.616SS**THydrogen-bonded Turntrans-80.3-8.5-178.4-510000115.3L345L345-S347 PolarHBondContact O-N 2.74Å
348N42.2Very low51.9Low148 Ų148112.8 Ų112.879%0.79165%0.649SS**  trans-137.625.3-162.3-13316.6000115.9L345 G350L345-N348 PolarHBondContact O-N 2.67Å; N348-G350 PolarHBondContact O-N 2.86Å
349M41.5Very low49.2Very low194 Ų194116.1 Ų116.196%0.95666%0.661SS**  trans-9666.9169.2-107.8-64.6179.100111.3
350G40.9Very low46.5Very low58 Ų58115.8 Ų115.860%0.59868%0.682SS**  trans-139116.6174.400000110.8N348N348-G350 PolarHBondContact O-N 2.86Å
351Q40Very low43.8Very low210 Ų210120.7 Ų120.798%0.98172%0.723SS**  trans71.9120.3-176-51.3-174.2-3.700116.1
352G29.6Very low41.3Very low82 Ų82128.1 Ų128.185%0.84575%0.754SS**  trans165.297.9172.400000110.8
353S30.4Very low39.1Very low114 Ų114132 Ų13280%0.79777%0.774SS**  trans-100.6140.4-17373.70000113.7
354T28.8Very low36.9Very low147 Ų147131.5 Ų131.590%0.90278%0.779SS**  trans-131150.915128.40000109.6
355Q28.6Very low34.9Very low190 Ų190133.2 Ų133.289%0.88880%0.8SS**  trans-91.7137.5-163.2-63.7160.1-26.900112.6
356T25.7Very low33.1Very low143 Ų143136.5 Ų136.588%0.87783%0.827SS**  trans-132.4146.1152-60.30000107.6
357V28Very low32Very low127 Ų127132 Ų13277%0.7783%0.829SS**  trans-73.5135-166.1-179.20000112F359V357-F359 HydrophobicContact CG1-CD2 4.27Å; V357-F359 HydrophobicContact CG1-CE2 4.35Å
358A25.1Very low31.1Very low91 Ų91132.1 Ų132.175%0.75283%0.829SS**  trans-97.3132.6170.300000111.3
359F28.2Very low31.2Very low205 Ų205137.8 Ų137.890%0.89984%0.84SS**  trans-118.1142.4150.9-90.9-90.9000107.5V357V357-F359 HydrophobicContact CG1-CD2 4.27Å; V357-F359 HydrophobicContact CG1-CE2 4.35Å
360G26.6Very low30.8Very low83 Ų83131.7 Ų131.786%0.85683%0.827SS**  trans-91147.4-156.400000115.9
361A28.5Very low30.6Very low106 Ų106132.2 Ų132.288%0.87683%0.832SS**  trans-123.9141.9150.100000107.5
362Q29.7Very low30.9Very low191 Ų191132 Ų13289%0.89383%0.831SS**  trans-132.386.7-161.3-176.9-177.9-22.600112.7
363C27.3Very low32.3Very low119 Ų119134 Ų13480%0.80482%0.818SS**  trans-177.2142.1159.8-1020000108.2
364C29.3Very low34.2Very low111 Ų111130.7 Ų130.775%0.7580%0.795SS**  cis-133.3131.7-5.8-80.70000109.8
365S28.4Very low36.4Very low116 Ų116125.7 Ų125.781%0.81177%0.765SS**  trans-10370.5-179.644.40000113S367S365-S367 PolarHBondContact O-N 3.06Å
366S29.7Very low38.5Very low110 Ų110118.7 Ų118.777%0.76974%0.737SS**  trans-71.997.5170.848.70000111S368S366-S368 PolarHBondContact O-N 3.04Å; S366-S368 VanDerWaalsContact O-N 3.15Å
367S34.3Very low40.9Very low125 Ų125115.7 Ų115.787%0.87472%0.716SS**  trans-74104-179.1-68.80000112.3S365S365-S367 PolarHBondContact O-N 3.06Å
368S30.4Very low43.5Very low104 Ų104111.4 Ų111.473%0.72769%0.688SS**  trans-125.8117.3163.762.10000111.3S366 G370S366-S368 PolarHBondContact O-N 3.04Å; S366-S368 VanDerWaalsContact O-N 3.15Å; S368-G370 PolarHBondContact O-N 3.46Å; S368-G370 VanDerWaalsContact O-N 3.07Å
369R44.2Very low46.2Very low267 Ų267107.5 Ų107.5100%1.00865%0.654SS**  trans-61.9107.5166.8-96.9177.4158.2-165.6-4.4109.3
370G32.6Very low48.7Very low66 Ų66101.7 Ų101.768%0.6863%0.631SS**  trans-154155.5170.100000108.5S368S368-G370 PolarHBondContact O-N 3.46Å; S368-G370 VanDerWaalsContact O-N 3.07Å
371G37.4Very low51.3Low69 Ų6998.7 Ų98.771%0.71160%0.598SS**  trans-63.1156173.900000111.1Q373G371-Q373 PolarHBondContact O-N 2.86Å
372Q46.7Very low54Low207 Ų20794.5 Ų94.597%0.96756%0.56SS**  trans-59.3106.6166.6-72.3179.2-62.900108.1
373Q57.8Low56.5Low123 Ų12391.6 Ų91.658%0.57554%0.541SS*.  trans-66.7137.2165.1-59.4-164.7-8800107G371 D377G371-Q373 PolarHBondContact O-N 2.86Å; Q373-D377 HydrophobicContact CB-CB 3.91Å
374S70.9Confident59Low45 Ų4587.7 Ų87.732%0.31551%0.513SS..  trans-64.2158.7174.165.10000110.3S376 D377 E378S374-S376 PolarHBondContact O-N 2.71Å; S374-D377 WeakPolarHBondContact CB-OD2 3.38Å; S374-D377 PolarHBondContact N-OD2 3.22Å; S374-D377 WeakPolarHBondContact O-CB 3.24Å; S374-D377 PolarHBondContact O-N 2.74Å; S374-D377 PolarHBondContact OG-N 3.39Å; S374-D377 PolarHBondContact OG-OD2 3.39Å; S374-E378 PolarHBondContact O-N 2.93Å; S374-E378 VanDerWaalsContact O-N 3.09Å
375P75.8Confident61.4Low42 Ų4286.1 Ų86.127%0.27350%0.496SS..Hα-helixtrans-50.7-39.9171.4-28.237.5000111.5E378 L379 I436 I437P375-E378 PolarHBondContact O-N 3.35Å; P375-L379 WeakPolarHBondContact O-CB 3.24Å; P375-L379 WeakPolarHBondContact O-CD1 3.28Å; P375-L379 VanDerWaalsContact O-CG 3.23Å; P375-L379 WeakPolarHBondContact O-CG 3.38Å; P375-L379 PolarHBondContact O-N 3.4Å; P375-I436 HydrophobicContact CB-CG2 3.89Å; P375-I437 WeakPolarHBondContact CG-O 3.29Å
376S71.6Confident63.4Low42 Ų4281.2 Ų81.229%0.29447%0.465SS..Hα-helixtrans-63.6-45.6174.8-38.40000113.1S374 E378 L379 I380S374-S376 PolarHBondContact O-N 2.71Å; S376-E378 VanDerWaalsContact C-N 3.25Å; S376-E378 PolarHBondContact O-N 2.83Å; S376-L379 PolarHBondContact O-N 3.04Å; S376-I380 WeakPolarHBondContact O-CB 3.47Å; S376-I380 WeakPolarHBondContact O-CD1 3.29Å; S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 3.07Å
377D76.9Confident65.5Low80 Ų8077.1 Ų77.143%0.42844%0.435SS..Hα-helixtrans-59.1-37176.2-70.2-58.3000112.1Q373 S374Q373-D377 HydrophobicContact CB-CB 3.91Å; S374-D377 WeakPolarHBondContact CB-OD2 3.38Å; S374-D377 PolarHBondContact N-OD2 3.22Å; S374-D377 WeakPolarHBondContact O-CB 3.24Å; S374-D377 PolarHBondContact O-N 2.74Å; S374-D377 PolarHBondContact OG-N 3.39Å; S374-D377 PolarHBondContact OG-OD2 3.39Å
378E82.8Confident67.2Low38 Ų3874.2 Ų74.218%0.17841%0.409CS..Hα-helixtrans-75.7-42.6176.2-172.3172169.400112.1S374 P375 S376 I380 A381 Y382 K434 I436S374-E378 PolarHBondContact O-N 2.93Å; S374-E378 VanDerWaalsContact O-N 3.09Å; P375-E378 PolarHBondContact O-N 3.35Å; S376-E378 VanDerWaalsContact C-N 3.25Å; S376-E378 PolarHBondContact O-N 2.83Å; E378-I380 PolarHBondContact O-N 3.17Å; E378-A381 WeakPolarHBondContact O-CA 3.35Å; E378-A381 WeakPolarHBondContact O-CB 3.36Å; E378-A381 PolarHBondContact O-N 3.21Å; E378-Y382 HydrophobicContact CG-CE2 4.25Å; E378-Y382 WeakPolarHBondContact O-CD2 3.42Å; E378-Y382 WeakPolarHBondContact O-CE2 3.2Å; E378-K434 VanDerWaalsContact OE1-CD 3.32Å; E378-K434 WeakPolarHBondContact OE1-CD 3.36Å; E378-K434 WeakPolarHBondContact OE1-CE 3.24Å; E378-K434 IonicContact OE1-NZ 3.54Å; E378-K434 PolarHBondContact OE1-NZ 2.86Å; E378-K434 WeakPolarHBondContact OE2-CE 3.44Å; E378-K434 IonicContact OE2-NZ 2.88Å; E378-K434 PolarHBondContact OE2-NZ 3.44Å; E378-I436 HydrophobicContact CB-CD1 4.21Å; E378-I436 HydrophobicContact CG-CD1 3.71Å; E378-I436 HydrophobicContact CG-CG1 4.39Å
379L81.9Confident69.2Low9 Ų973.6 Ų73.65%0.04740%0.397CS..Hα-helixtrans-60.7-32.5175.2-72164.1000111.7P41 P375 S376 A381 Y382 L405 I436 F443P41-L379 HydrophobicContact CG-CB 3.96Å; P41-L379 HydrophobicContact CG-CD1 4.06Å; P41-L379 HydrophobicContact CG-CG 4.43Å; P375-L379 WeakPolarHBondContact O-CB 3.24Å; P375-L379 WeakPolarHBondContact O-CD1 3.28Å; P375-L379 VanDerWaalsContact O-CG 3.23Å; P375-L379 WeakPolarHBondContact O-CG 3.38Å; P375-L379 PolarHBondContact O-N 3.4Å; S376-L379 PolarHBondContact O-N 3.04Å; L379-A381 PolarHBondContact O-N 2.83Å; L379-Y382 PolarHBondContact O-N 3.11Å; L379-L405 HydrophobicContact CD2-CD1 4.44Å; L379-L405 HydrophobicContact CD2-CD2 3.86Å; L379-I436 HydrophobicContact CD2-CD1 3.89Å; L379-I436 HydrophobicContact CG-CD1 4.13Å; L379-I436 HydrophobicContact CG-CG2 4.49Å; L379-F443 HydrophobicContact CD1-CD2 3.79Å; L379-F443 HydrophobicContact CD1-CE2 3.66Å; L379-F443 HydrophobicContact CD1-CZ 4.3Å; L379-F443 HydrophobicContact CD2-CB 4.41Å; L379-F443 HydrophobicContact CD2-CD1 4.4Å; L379-F443 HydrophobicContact CD2-CD2 4.14Å; L379-F443 HydrophobicContact CD2-CG 4.06Å
380I79.4Confident70.5Confident83 Ų8365 Ų6543%0.42637%0.367SS..THydrogen-bonded Turntrans-63.1-17170.7-73.7164.6000112.7S376 E378 Y382 K397S376-I380 WeakPolarHBondContact O-CB 3.47Å; S376-I380 WeakPolarHBondContact O-CD1 3.29Å; S376-I380 WeakPolarHBondContact O-CG1 3.36Å; S376-I380 PolarHBondContact O-N 3.07Å; E378-I380 PolarHBondContact O-N 3.17Å; I380-Y382 PolarHBondContact O-N 3.48Å; I380-K397 PolarHBondContact O-NZ 3.24Å
381A82.3Confident72.9Confident19 Ų1963.4 Ų63.416%0.15734%0.344CS..THydrogen-bonded Turntrans-68.2-22.7169.700000112.7E378 L379 K397E378-A381 WeakPolarHBondContact O-CA 3.35Å; E378-A381 WeakPolarHBondContact O-CB 3.36Å; E378-A381 PolarHBondContact O-N 3.21Å; L379-A381 PolarHBondContact O-N 2.83Å; A381-K397 WeakPolarHBondContact O-CB 3.42Å; A381-K397 WeakPolarHBondContact O-CD 3.28Å; A381-K397 WeakPolarHBondContact O-CG 3.26Å; A381-K397 PolarHBondContact O-N 3.42Å
382Y84.7Confident75Confident19 Ų1960.8 Ų60.88%0.07531%0.314CS..EExtended strand (participates in β ladder)trans-98.9150.6-178.3-53.3-84.4000111.6E378 L379 I380 V394 I395 D396 K397 I436 L445E378-Y382 HydrophobicContact CG-CE2 4.25Å; E378-Y382 WeakPolarHBondContact O-CD2 3.42Å; E378-Y382 WeakPolarHBondContact O-CE2 3.2Å; L379-Y382 PolarHBondContact O-N 3.11Å; I380-Y382 PolarHBondContact O-N 3.48Å; Y382-V394 HydrophobicContact CD1-CG2 4.13Å; Y382-V394 HydrophobicContact CG-CG2 4.41Å; Y382-I395 CarbonylContact C-O 3.59Å; Y382-I395 WeakPolarHBondContact CA-O 3.34Å; Y382-D396 HydrophobicContact CD1-CB 3.92Å; Y382-D396 HydrophobicContact CE1-CB 3.81Å; Y382-K397 WeakPolarHBondContact O-CE 3.48Å; Y382-K397 PolarHBondContact O-NZ 2.91Å; Y382-I436 HydrophobicContact CE2-CD1 4.22Å; Y382-L445 HydrophobicContact CD1-CD1 4.03Å; Y382-L445 HydrophobicContact CE1-CD1 3.78Å; Y382-L445 HydrophobicContact CE1-CD2 3.64Å; Y382-L445 HydrophobicContact CE1-CG 4.39Å; Y382-L445 WeakPolarHBondContact OH-CD2 3.5Å
383R82.1Confident76.9Confident129 Ų12952.3 Ų52.349%0.48728%0.275SS..EExtended strand (participates in β ladder)trans-118.8121172.9170.1177.462.5179.3-4.3108.2I385 V394 I395 K397R383-I385 PolarHBondContact O-N 3.27Å; R383-V394 CarbonylContact O-C 3.56Å; R383-V394 VanDerWaalsContact O-CA 3.27Å; R383-V394 WeakPolarHBondContact O-CA 3.36Å; R383-I395 HydrophobicContact CB-CG2 3.84Å; R383-I395 HydrophobicContact CG-CG2 4.23Å; R383-I395 PolarHBondContact N-O 3.49Å; R383-I395 VanDerWaalsContact NE-CG2 3.31Å; R383-I395 PolarHBondContact O-N 2.89Å; R383-K397 HydrophobicContact CB-CG 4.17Å
384V80.9Confident78.3Confident37 Ų3746.5 Ų46.522%0.22425%0.248CC..EExtended strand (participates in β ladder)trans-64.3125170.1-168.20000109.4F13 G386 L392 V394F13-V384 HydrophobicContact CE1-CG1 4.43Å; F13-V384 HydrophobicContact CE2-CB 4.48Å; F13-V384 HydrophobicContact CE2-CG1 3.79Å; F13-V384 HydrophobicContact CZ-CB 4.15Å; F13-V384 HydrophobicContact CZ-CG1 3.53Å; V384-G386 WeakPolarHBondContact CG1-O 3.41Å; V384-L392 HydrophobicContact CG1-CB 4.35Å; V384-L392 HydrophobicContact CG2-CD1 4.29Å; V384-V394 HydrophobicContact CG2-CG1 4.24Å
385I79.3Confident79Confident78 Ų7845 Ų4540%0.424%0.237SC..EExtended strand (participates in β ladder)trans-95.4-38.5172.3-57.8163.9000110.1F13 R383 L393 I395 T402F13-I385 WeakPolarHBondContact CE1-O 3.17Å; R383-I385 PolarHBondContact O-N 3.27Å; I385-L393 HydrophobicContact CB-CD2 4.31Å; I385-L393 HydrophobicContact CB-CG 4.33Å; I385-L393 HydrophobicContact CD1-CG 4.46Å; I385-L393 HydrophobicContact CG2-CD2 4.39Å; I385-L393 PolarHBondContact N-O 3.13Å; I385-I395 HydrophobicContact CD1-CB 3.59Å; I385-I395 HydrophobicContact CD1-CG2 3.7Å; I385-I395 HydrophobicContact CG1-CB 4.13Å; I385-I395 HydrophobicContact CG1-CG2 3.66Å; I385-T402 HydrophobicContact CD1-CG2 3.95Å
386G69.9Low79.7Confident14 Ų1443.3 Ų43.314%0.14423%0.225CC..EExtended strand (participates in β ladder)trans-159.8174.9-174.100000112.4V384 L393V384-G386 WeakPolarHBondContact CG1-O 3.41Å; G386-L393 PolarHBondContact N-O 2.94Å; G386-L393 PolarHBondContact O-N 3.39Å
387V74.5Confident80.5Confident24 Ų2446.1 Ų46.115%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-125.3130.5172.2-176.90000107.5F13 R34 I36 L392F13-V387 HydrophobicContact CB-CB 4.39Å; F13-V387 HydrophobicContact CB-CG2 3.96Å; F13-V387 HydrophobicContact CD1-CG2 4.25Å; F13-V387 HydrophobicContact CD2-CG2 3.41Å; F13-V387 VanDerWaalsContact CD2-CG2 3.41Å; F13-V387 HydrophobicContact CE2-CG2 3.96Å; F13-V387 HydrophobicContact CG-CB 4.37Å; F13-V387 HydrophobicContact CG-CG2 3.57Å; R34-V387 VanDerWaalsContact NH1-CG1 3.34Å; I36-V387 HydrophobicContact CD1-CG2 3.9Å; V387-L392 HydrophobicContact CG1-CD2 4.23Å; V387-L392 HydrophobicContact CG2-CD2 3.78Å
388I70.1Confident81Confident63 Ų6351.4 Ų51.432%0.32325%0.246SC..EExtended strand (participates in β ladder)trans-122.4104.8-177.7-57.2176.8000106.9K390 V391 L393 I404 Y448I388-K390 PolarHBondContact O-N 2.88Å; I388-V391 HydrophobicContact CB-CG2 4.23Å; I388-V391 PolarHBondContact N-O 3.24Å; I388-V391 WeakPolarHBondContact O-CG2 3.45Å; I388-V391 PolarHBondContact O-N 3.42Å; I388-L393 HydrophobicContact CD1-CB 4.09Å; I388-L393 HydrophobicContact CD1-CD2 4.45Å; I388-L393 HydrophobicContact CG1-CB 4.43Å; I388-I404 HydrophobicContact CD1-CD1 4.16Å; I388-Y448 HydrophobicContact CD1-CE2 4.33Å
389N70.6Confident81.4Confident91 Ų9152.7 Ų52.749%0.48726%0.256SS..THydrogen-bonded Turntrans53.3-108.8-177.2-49.1-54.4000112.5R34 K453R34-N389 PolarHBondContact NH1-O 3.37Å; N389-K453 WeakPolarHBondContact ND2-CE 3.23Å; N389-K453 PolarHBondContact ND2-NZ 2.89Å
390K72.3Confident81.7Confident87 Ų8757.4 Ų57.438%0.37828%0.278SS..THydrogen-bonded Turntrans-105.324.3179.1-59.8172-178.3166.40112.9I388 D1015I388-K390 PolarHBondContact O-N 2.88Å; K390-D1015 IonicContact NZ-OD1 3.06Å; K390-D1015 PolarHBondContact NZ-OD1 3.29Å; K390-D1015 IonicContact NZ-OD2 2.72Å; K390-D1015 PolarHBondContact NZ-OD2 3.42Å
391V82.1Confident82.3Confident32 Ų3258 Ų5819%0.19428%0.279CS..EExtended strand (participates in β ladder)trans-139.8157.7177.8-59.80000113I388 I404 K406I388-V391 HydrophobicContact CB-CG2 4.23Å; I388-V391 PolarHBondContact N-O 3.24Å; I388-V391 WeakPolarHBondContact O-CG2 3.45Å; I388-V391 PolarHBondContact O-N 3.42Å; V391-I404 HydrophobicContact CB-CG2 3.7Å; V391-I404 HydrophobicContact CG1-CG2 4.13Å; V391-I404 HydrophobicContact CG2-CD1 4.35Å; V391-I404 HydrophobicContact CG2-CG2 3.62Å; V391-K406 HydrophobicContact CG1-CB 3.75Å; V391-K406 HydrophobicContact CG1-CD 4.37Å; V391-K406 HydrophobicContact CG1-CG 3.93Å
392L82.3Confident82.6Confident15 Ų1559.8 Ų59.88%0.07929%0.288CS..EExtended strand (participates in β ladder)trans-99129.2179.1-50.8-178.7000110.6I36 V384 V387 V394 I404 L405I36-L392 HydrophobicContact CD1-CD1 4.43Å; I36-L392 HydrophobicContact CD1-CD2 3.52Å; V384-L392 HydrophobicContact CG1-CB 4.35Å; V384-L392 HydrophobicContact CG2-CD1 4.29Å; V387-L392 HydrophobicContact CG1-CD2 4.23Å; V387-L392 HydrophobicContact CG2-CD2 3.78Å; L392-V394 HydrophobicContact CB-CG1 4.04Å; L392-I404 CarbonylContact O-C 3.56Å; L392-I404 WeakPolarHBondContact O-CA 3.35Å; L392-L405 HydrophobicContact CB-CB 4.29Å; L392-L405 HydrophobicContact CD1-CD2 4.47Å; L392-L405 PolarHBondContact N-O 3.3Å; L392-L405 PolarHBondContact O-N 2.76Å
393L85.8Confident83Confident28 Ų2859.1 Ų59.115%0.14729%0.286CS..EExtended strand (participates in β ladder)trans-83118.9166.2178.367.3000108.3I385 G386 I388 I404 Y448I385-L393 HydrophobicContact CB-CD2 4.31Å; I385-L393 HydrophobicContact CB-CG 4.33Å; I385-L393 HydrophobicContact CD1-CG 4.46Å; I385-L393 HydrophobicContact CG2-CD2 4.39Å; I385-L393 PolarHBondContact N-O 3.13Å; G386-L393 PolarHBondContact N-O 2.94Å; G386-L393 PolarHBondContact O-N 3.39Å; I388-L393 HydrophobicContact CD1-CB 4.09Å; I388-L393 HydrophobicContact CD1-CD2 4.45Å; I388-L393 HydrophobicContact CG1-CB 4.43Å; L393-I404 HydrophobicContact CB-CD1 4.33Å; L393-I404 HydrophobicContact CD1-CD1 3.91Å; L393-Y448 HydrophobicContact CD1-CD2 3.85Å; L393-Y448 HydrophobicContact CD1-CE2 4.1Å; L393-Y448 HydrophobicContact CD1-CG 4.27Å
394V87.4Confident83.4Confident1 Ų154 Ų541%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-124.2156.6-176.2-52.30000112Y382 R383 V384 L392 T402 F403 L405 L445Y382-V394 HydrophobicContact CD1-CG2 4.13Å; Y382-V394 HydrophobicContact CG-CG2 4.41Å; R383-V394 CarbonylContact O-C 3.56Å; R383-V394 VanDerWaalsContact O-CA 3.27Å; R383-V394 WeakPolarHBondContact O-CA 3.36Å; V384-V394 HydrophobicContact CG2-CG1 4.24Å; L392-V394 HydrophobicContact CB-CG1 4.04Å; V394-T402 CarbonylContact O-C 3.59Å; V394-T402 WeakPolarHBondContact O-CA 3.48Å; V394-F403 HydrophobicContact CG2-CB 3.98Å; V394-F403 PolarHBondContact N-O 3.27Å; V394-F403 PolarHBondContact O-N 3.19Å; V394-L405 HydrophobicContact CG1-CB 3.84Å; V394-L405 HydrophobicContact CG1-CD2 4.36Å; V394-L405 HydrophobicContact CG2-CB 4.13Å; V394-L445 HydrophobicContact CG2-CD1 3.98Å
395I87.3Confident83.8Confident15 Ų1552.6 Ų52.68%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-119.8128.9168.3-177.6170.4000109.7Y382 R383 I385 K397 Q400 E401 T402Y382-I395 CarbonylContact C-O 3.59Å; Y382-I395 WeakPolarHBondContact CA-O 3.34Å; R383-I395 HydrophobicContact CB-CG2 3.84Å; R383-I395 HydrophobicContact CG-CG2 4.23Å; R383-I395 PolarHBondContact N-O 3.49Å; R383-I395 VanDerWaalsContact NE-CG2 3.31Å; R383-I395 PolarHBondContact O-N 2.89Å; I385-I395 HydrophobicContact CD1-CB 3.59Å; I385-I395 HydrophobicContact CD1-CG2 3.7Å; I385-I395 HydrophobicContact CG1-CB 4.13Å; I385-I395 HydrophobicContact CG1-CG2 3.66Å; I395-K397 PolarHBondContact O-N 2.93Å; I395-Q400 HydrophobicContact CD1-CB 4.1Å; I395-Q400 WeakPolarHBondContact CD1-O 3.08Å; I395-E401 WeakPolarHBondContact CA-O 3.49Å; I395-E401 WeakPolarHBondContact CG1-O 3.41Å; I395-T402 HydrophobicContact CB-CG2 4.46Å
396D90.2Very high84.3Confident6 Ų651.6 Ų51.63%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-66.4117.2172.3-176.4-25000108.1Y382 R398 T399 Q400 E401 F403 R433Y382-D396 HydrophobicContact CD1-CB 3.92Å; Y382-D396 HydrophobicContact CE1-CB 3.81Å; D396-R398 PolarHBondContact O-N 2.81Å; D396-R398 VanDerWaalsContact O-N 3.08Å; D396-R398 WeakPolarHBondContact OD1-CA 3.4Å; D396-R398 WeakPolarHBondContact OD1-CB 3.18Å; D396-R398 WeakPolarHBondContact OD1-CG 3.43Å; D396-R398 PolarHBondContact OD1-N 3.35Å; D396-T399 WeakPolarHBondContact CB-OG1 3.33Å; D396-T399 PolarHBondContact O-N 3.06Å; D396-Q400 VanDerWaalsContact O-CA 3.26Å; D396-Q400 WeakPolarHBondContact O-CA 3.32Å; D396-Q400 PolarHBondContact O-N 2.69Å; D396-E401 PolarHBondContact N-O 3.06Å; D396-F403 HydrophobicContact CB-CD2 4.24Å; D396-F403 HydrophobicContact CB-CE2 3.93Å; D396-R433 IonicContact OD2-CZ 3.21Å; D396-R433 IonicContact OD2-NH1 3.73Å; D396-R433 PolarHBondContact OD2-NH1 3.19Å; D396-R433 VanDerWaalsContact OD2-NH1 3.11Å; D396-R433 IonicContact OD2-NH2 3.83Å
397K87.7Confident84.9Confident100 Ų10051.2 Ų51.244%0.43525%0.248SC..THydrogen-bonded Turntrans-63.6-16.9-177.8-64.8164.1-171.9156.50112I380 A381 Y382 R383 I395 Q400I380-K397 PolarHBondContact O-NZ 3.24Å; A381-K397 WeakPolarHBondContact O-CB 3.42Å; A381-K397 WeakPolarHBondContact O-CD 3.28Å; A381-K397 WeakPolarHBondContact O-CG 3.26Å; A381-K397 PolarHBondContact O-N 3.42Å; Y382-K397 WeakPolarHBondContact O-CE 3.48Å; Y382-K397 PolarHBondContact O-NZ 2.91Å; R383-K397 HydrophobicContact CB-CG 4.17Å; I395-K397 PolarHBondContact O-N 2.93Å; K397-Q400 PolarHBondContact O-NE2 2.67Å
398R88.3Confident85.3Confident191 Ų19150.9 Ų50.972%0.72125%0.246SC*.THydrogen-bonded Turntrans-90.8-41.6-175.3-49.1169.362.7131.40.7112.1D396D396-R398 PolarHBondContact O-N 2.81Å; D396-R398 VanDerWaalsContact O-N 3.08Å; D396-R398 WeakPolarHBondContact OD1-CA 3.4Å; D396-R398 WeakPolarHBondContact OD1-CB 3.18Å; D396-R398 WeakPolarHBondContact OD1-CG 3.43Å; D396-R398 PolarHBondContact OD1-N 3.35Å
399T90.1Very high85.8Confident65 Ų6550 Ų5040%0.39924%0.238SC..THydrogen-bonded Turntrans-102.2-18.5-179.2640000113.7D396 E401D396-T399 WeakPolarHBondContact CB-OG1 3.33Å; D396-T399 PolarHBondContact O-N 3.06Å; T399-E401 WeakPolarHBondContact CB-OE2 3.5Å; T399-E401 WeakPolarHBondContact CG2-OE2 3.37Å; T399-E401 PolarHBondContact O-N 2.99Å; T399-E401 WeakPolarHBondContact OG1-CB 3.17Å; T399-E401 VanDerWaalsContact OG1-CD 3.28Å; T399-E401 WeakPolarHBondContact OG1-CG 3.47Å; T399-E401 PolarHBondContact OG1-N 3.25Å; T399-E401 PolarHBondContact OG1-OE2 2.82Å
400Q89.3Confident86.3Confident109 Ų10948.2 Ų48.251%0.50923%0.226SC..  trans61.316.6-168.1-55.4-64-56.900114.3I395 D396 K397I395-Q400 HydrophobicContact CD1-CB 4.1Å; I395-Q400 WeakPolarHBondContact CD1-O 3.08Å; D396-Q400 VanDerWaalsContact O-CA 3.26Å; D396-Q400 WeakPolarHBondContact O-CA 3.32Å; D396-Q400 PolarHBondContact O-N 2.69Å; K397-Q400 PolarHBondContact O-NE2 2.67Å
401E90.3Very high86.3Confident94 Ų9445.8 Ų45.844%0.43922%0.22SC..  trans-78.7146.1172.3-62.5161.7145.700111.1I395 D396 T399 F403 R433I395-E401 WeakPolarHBondContact CA-O 3.49Å; I395-E401 WeakPolarHBondContact CG1-O 3.41Å; D396-E401 PolarHBondContact N-O 3.06Å; T399-E401 WeakPolarHBondContact CB-OE2 3.5Å; T399-E401 WeakPolarHBondContact CG2-OE2 3.37Å; T399-E401 PolarHBondContact O-N 2.99Å; T399-E401 WeakPolarHBondContact OG1-CB 3.17Å; T399-E401 VanDerWaalsContact OG1-CD 3.28Å; T399-E401 WeakPolarHBondContact OG1-CG 3.47Å; T399-E401 PolarHBondContact OG1-N 3.25Å; T399-E401 PolarHBondContact OG1-OE2 2.82Å; E401-F403 HydrophobicContact CB-CD2 4.43Å; E401-F403 HydrophobicContact CB-CE2 3.56Å; E401-F403 HydrophobicContact CB-CZ 3.72Å; E401-R433 IonicContact OE2-CZ 3.17Å; E401-R433 IonicContact OE2-NH2 3.96Å; E401-R433 PolarHBondContact OE2-NH2 2.85Å
402T90.1Very high85.4Confident58 Ų5850.4 Ų50.436%0.35625%0.253SS..EExtended strand (participates in β ladder)trans-95139.7176.763.30000112.2I385 V394 I395I385-T402 HydrophobicContact CD1-CG2 3.95Å; V394-T402 CarbonylContact O-C 3.59Å; V394-T402 WeakPolarHBondContact O-CA 3.48Å; I395-T402 HydrophobicContact CB-CG2 4.46Å
403F92.1Very high84.2Confident5 Ų556.9 Ų56.92%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-140.6159.8-177-62.9-74.9000110.2V394 D396 E401 R433 L445 L446V394-F403 HydrophobicContact CG2-CB 3.98Å; V394-F403 PolarHBondContact N-O 3.27Å; V394-F403 PolarHBondContact O-N 3.19Å; D396-F403 HydrophobicContact CB-CD2 4.24Å; D396-F403 HydrophobicContact CB-CE2 3.93Å; E401-F403 HydrophobicContact CB-CD2 4.43Å; E401-F403 HydrophobicContact CB-CE2 3.56Å; E401-F403 HydrophobicContact CB-CZ 3.72Å; F403-R433 HydrophobicContact CE1-CB 4.25Å; F403-R433 HydrophobicContact CE1-CG 3.95Å; F403-R433 HydrophobicContact CZ-CG 4.42Å; F403-R433 VanDerWaalsContact CZ-CZ 3.45Å; F403-L445 HydrophobicContact CB-CD1 3.53Å; F403-L445 HydrophobicContact CB-CG 3.99Å; F403-L445 HydrophobicContact CD1-CG 4.32Å; F403-L445 HydrophobicContact CD2-CD1 4.3Å; F403-L445 HydrophobicContact CD2-CD2 4.41Å; F403-L445 HydrophobicContact CG-CD1 3.96Å; F403-L445 HydrophobicContact CG-CD2 4.32Å; F403-L445 HydrophobicContact CG-CG 4.04Å; F403-L446 WeakPolarHBondContact CA-O 3.03Å; F403-L446 WeakPolarHBondContact CB-O 3.39Å
404I91.6Very high82.5Confident21 Ų2158.2 Ų58.211%0.10830%0.299CS..EExtended strand (participates in β ladder)trans-96.5127.4165.9-66.6-60.5000108.5I388 V391 L392 L393 L446 Y448I388-I404 HydrophobicContact CD1-CD1 4.16Å; V391-I404 HydrophobicContact CB-CG2 3.7Å; V391-I404 HydrophobicContact CG1-CG2 4.13Å; V391-I404 HydrophobicContact CG2-CD1 4.35Å; V391-I404 HydrophobicContact CG2-CG2 3.62Å; L392-I404 CarbonylContact O-C 3.56Å; L392-I404 WeakPolarHBondContact O-CA 3.35Å; L393-I404 HydrophobicContact CB-CD1 4.33Å; L393-I404 HydrophobicContact CD1-CD1 3.91Å; I404-L446 HydrophobicContact CB-CB 4.19Å; I404-L446 HydrophobicContact CG2-CD1 4.45Å; I404-L446 PolarHBondContact N-O 2.79Å; I404-L446 PolarHBondContact O-N 2.99Å; I404-Y448 HydrophobicContact CD1-CD2 3.9Å; I404-Y448 HydrophobicContact CD1-CE2 4.45Å; I404-Y448 HydrophobicContact CG1-CD2 4.03Å
405L88.9Confident80.6Confident7 Ų762 Ų624%0.03734%0.339CS..EExtended strand (participates in β ladder)trans-104109.1170.7-167.873.3000108.5L379 L392 V394 F443 L444 L445L379-L405 HydrophobicContact CD2-CD1 4.44Å; L379-L405 HydrophobicContact CD2-CD2 3.86Å; L392-L405 HydrophobicContact CB-CB 4.29Å; L392-L405 HydrophobicContact CD1-CD2 4.47Å; L392-L405 PolarHBondContact N-O 3.3Å; L392-L405 PolarHBondContact O-N 2.76Å; V394-L405 HydrophobicContact CG1-CB 3.84Å; V394-L405 HydrophobicContact CG1-CD2 4.36Å; V394-L405 HydrophobicContact CG2-CB 4.13Å; L405-F443 HydrophobicContact CD1-CB 4.05Å; L405-F443 HydrophobicContact CD1-CD1 4.46Å; L405-F443 HydrophobicContact CD2-CD1 4.1Å; L405-F443 HydrophobicContact CG-CD1 4.08Å; L405-L444 WeakPolarHBondContact CA-O 3.41Å; L405-L445 HydrophobicContact CD1-CB 4.32Å; L405-L445 HydrophobicContact CD1-CD1 4.01Å
406K88.7Confident79Confident57 Ų5767.6 Ų67.625%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-101.5130.7175.6175.2176176.2-176.20108.9V391 F443 L444 L446V391-K406 HydrophobicContact CG1-CB 3.75Å; V391-K406 HydrophobicContact CG1-CD 4.37Å; V391-K406 HydrophobicContact CG1-CG 3.93Å; K406-F443 CarbonylContact O-C 3.35Å; K406-F443 WeakPolarHBondContact O-CA 3.26Å; K406-L444 HydrophobicContact CB-CB 4.43Å; K406-L444 PolarHBondContact N-O 2.89Å; K406-L444 PolarHBondContact O-N 3.23Å; K406-L446 HydrophobicContact CB-CD1 4.18Å; K406-L446 HydrophobicContact CD-CD1 4.47Å
407G83.6Confident77.4Confident7 Ų772.8 Ų72.87%0.07241%0.408CS..EExtended strand (participates in β ladder)trans-85.2153.9169.200000112I136I136-G407 CarbonylContact O-C 3.36Å; I136-G407 VanDerWaalsContact O-CA 3.31Å; I136-G407 WeakPolarHBondContact O-CA 3.44Å
408L83.1Confident76.3Confident17 Ų1771.1 Ų71.19%0.08940%0.401CS..EExtended strand (participates in β ladder)trans-134.6108.2162.2-63.3175.1000108.4I136 T441 V442 L444 V1010I136-L408 CarbonylContact O-C 3.53Å; I136-L408 VanDerWaalsContact O-C 3.3Å; I136-L408 VanDerWaalsContact O-CA 3.3Å; I136-L408 WeakPolarHBondContact O-CA 3.07Å; I136-L408 PolarHBondContact O-N 3.03Å; L408-T441 CarbonylContact O-C 3.44Å; L408-T441 WeakPolarHBondContact O-CA 3.45Å; L408-V442 HydrophobicContact CB-CB 4.37Å; L408-V442 PolarHBondContact N-O 3.04Å; L408-V442 PolarHBondContact O-N 2.94Å; L408-L444 HydrophobicContact CD1-CD1 3.79Å; L408-L444 HydrophobicContact CD1-CG 4.19Å; L408-L444 HydrophobicContact CG-CD1 4.4Å; L408-V1010 HydrophobicContact CB-CG1 4.07Å; L408-V1010 HydrophobicContact CB-CG2 4.09Å
409R79.1Confident75.9Confident45 Ų4569 Ų6917%0.1740%0.397CS..EExtended strand (participates in β ladder)trans-63.3141.2171.2-71.6-147.5-62.4-123.7-5.3110.5S133 D134 I136 E140S133-R409 VanDerWaalsContact C-NH1 3.26Å; S133-R409 PolarHBondContact O-NH1 3.09Å; S133-R409 PolarHBondContact OG-NH1 3.31Å; D134-R409 VanDerWaalsContact N-NH1 3.16Å; D134-R409 IonicContact OD1-CZ 2.95Å; D134-R409 IonicContact OD1-NH1 3.5Å; D134-R409 PolarHBondContact OD1-NH1 3.32Å; D134-R409 IonicContact OD1-NH2 2.71Å; D134-R409 PolarHBondContact OD1-NH2 3.43Å; I136-R409 PolarHBondContact O-N 2.91Å; E140-R409 IonicContact OE1-CZ 3.88Å; E140-R409 IonicContact OE1-NH2 3.27Å; E140-R409 PolarHBondContact OE1-NH2 3.02Å
410K82.3Confident75.7Confident53 Ų5368.2 Ų68.223%0.2339%0.392CS..BIsolated β-bridgetrans-84.8139.4170.8-59.3176.4-156.9166.40110.2S438 E439 D440 V442 D1009K410-S438 PolarHBondContact NZ-O 2.94Å; K410-E439 PolarHBondContact NZ-O 3.25Å; K410-D440 VanDerWaalsContact CB-O 3.32Å; K410-D440 WeakPolarHBondContact CB-O 3.27Å; K410-D440 WeakPolarHBondContact CG-O 3.47Å; K410-D440 PolarHBondContact N-O 3.36Å; K410-V442 HydrophobicContact CG-CG2 4.37Å; K410-D1009 CarbonylContact C-O 3.52Å; K410-D1009 WeakPolarHBondContact CA-O 3.31Å; K410-D1009 HydrophobicContact CB-CB 4.34Å; K410-D1009 VanDerWaalsContact CB-O 3.32Å; K410-D1009 WeakPolarHBondContact CB-O 3.38Å; K410-D1009 HydrophobicContact CD-CB 4.37Å; K410-D1009 HydrophobicContact CG-CB 4.29Å
411S72.3Confident75.6Confident35 Ų3563.9 Ų63.925%0.24537%0.372CS..PPolyproline II helixtrans-75.5141.4169.359.50000110.6D413 D1009S411-D413 VanDerWaalsContact C-N 3.32Å; S411-D1009 PolarHBondContact N-O 2.98Å; S411-D1009 PolarHBondContact OG-O 2.66Å
412S62.7Low75.5Confident129 Ų12961.2 Ų61.290%0.90236%0.36SS*.SBendtrans-81-14.2173.252.60000113.1
413D56.5Low75.4Confident151 Ų15158.7 Ų58.781%0.80735%0.345SS*.  trans-117.731.6-167-146.912.3000112.7S411 G415S411-D413 VanDerWaalsContact C-N 3.32Å; D413-G415 PolarHBondContact O-N 3.08Å
414C50.8Low74.8Confident57 Ų5763.7 Ų63.739%0.38537%0.371SS..  trans-70.690.3-179-172.20000112.6Q416 C1008C414-Q416 PolarHBondContact SG-O 3.47Å; C414-Q416 VanDerWaalsContact SG-O 3.37Å; C414-C1008 PolarHBondContact SG-O 3.12Å
415G48.3Very low74.3Confident81 Ų8167.6 Ų67.684%0.83540%0.4SS*.  trans-87.4-1170.200000115.1D413D413-G415 PolarHBondContact O-N 3.08Å
416Q53.6Low74.5Confident132 Ų13267.9 Ų67.962%0.61740%0.403SS*.SBendtrans-104.2133.8-175.7-67.4-170.40.400112.2C414 K418C414-Q416 PolarHBondContact SG-O 3.47Å; C414-Q416 VanDerWaalsContact SG-O 3.37Å; Q416-K418 HydrophobicContact CB-CG 4.36Å; Q416-K418 PolarHBondContact O-N 2.66Å; Q416-K418 VanDerWaalsContact OE1-CE 3.29Å
417A54.9Low74.6Confident114 Ų11467.6 Ų67.694%0.94241%0.407SS*.  trans-77.948.5175.900000112.9
418K66.3Low75.1Confident66 Ų6670.4 Ų70.429%0.28742%0.418SS..PPolyproline II helixtrans-62.9142.3172.5-75.4-170.9178.4-178.80109.8Q416 C1008 E1012Q416-K418 HydrophobicContact CB-CG 4.36Å; Q416-K418 PolarHBondContact O-N 2.66Å; Q416-K418 VanDerWaalsContact OE1-CE 3.29Å; K418-C1008 WeakPolarHBondContact O-CB 3.49Å; K418-E1012 VanDerWaalsContact NZ-CD 3.26Å; K418-E1012 IonicContact NZ-OE1 2.64Å; K418-E1012 IonicContact NZ-OE2 2.65Å; K418-E1012 PolarHBondContact NZ-OE2 2.65Å
419K78.6Confident75.7Confident145 Ų14570.4 Ų70.463%0.6342%0.417SS*.PPolyproline II helixtrans-90131.5175.5177.3-165.2166.1-154.60108.5I421K419-I421 HydrophobicContact CB-CG1 4.45Å; K419-I421 HydrophobicContact CD-CD1 4.25Å; K419-I421 HydrophobicContact CD-CG1 3.89Å; K419-I421 HydrophobicContact CG-CG1 4.06Å; K419-I421 PolarHBondContact O-N 2.95Å
420T86.9Confident76.3Confident49 Ų4968.6 Ų68.630%0.30141%0.411SS..PPolyproline II helixtrans-68.1124.3167.4-600000110.4M422 S1006 W1007 C1008T420-M422 HydrophobicContact CG2-CG 3.98Å; T420-M422 HydrophobicContact CG2-SD 4.49Å; T420-S1006 CarbonylContact C-O 3.57Å; T420-S1006 WeakPolarHBondContact CA-O 3.25Å; T420-W1007 HydrophobicContact CG2-CB 4.33Å; T420-W1007 HydrophobicContact CG2-CD2 3.61Å; T420-W1007 HydrophobicContact CG2-CE3 3.48Å; T420-W1007 VanDerWaalsContact CG2-CE3 3.48Å; T420-W1007 HydrophobicContact CG2-CG 4.02Å; T420-W1007 HydrophobicContact CG2-CZ3 3.97Å; T420-C1008 PolarHBondContact OG1-N 3.34Å; T420-C1008 PolarHBondContact OG1-SG 3.12Å
421I87.2Confident76.8Confident19 Ų1971.3 Ų71.310%0.09743%0.425CS..BIsolated β-bridgetrans-131115.9-179.5-53166.1000107.7K419 E979 I981 C1005 S1006K419-I421 HydrophobicContact CB-CG1 4.45Å; K419-I421 HydrophobicContact CD-CD1 4.25Å; K419-I421 HydrophobicContact CD-CG1 3.89Å; K419-I421 HydrophobicContact CG-CG1 4.06Å; K419-I421 PolarHBondContact O-N 2.95Å; I421-E979 HydrophobicContact CG2-CB 4.47Å; I421-I981 HydrophobicContact CB-CD1 4.29Å; I421-I981 HydrophobicContact CB-CG1 4.2Å; I421-I981 HydrophobicContact CG2-CD1 3.77Å; I421-I981 HydrophobicContact CG2-CG1 3.96Å; I421-C1005 WeakPolarHBondContact O-CB 3.5Å; I421-S1006 PolarHBondContact N-O 2.93Å; I421-S1006 PolarHBondContact O-N 3.28Å
422M87.8Confident77.7Confident38 Ų3870.3 Ų70.319%0.18742%0.416CS..  trans-120.492-175-65.2-59.5-75.400109.4T420 L424 L432 L444 Y1003 C1005 W1007T420-M422 HydrophobicContact CG2-CG 3.98Å; T420-M422 HydrophobicContact CG2-SD 4.49Å; M422-L424 PolarHBondContact O-N 3.35Å; M422-L432 HydrophobicContact CE-CD2 3.64Å; M422-L444 HydrophobicContact CE-CD2 3.54Å; M422-Y1003 WeakPolarHBondContact CA-OH 3.46Å; M422-Y1003 HydrophobicContact CE-CE1 3.95Å; M422-Y1003 WeakPolarHBondContact CE-OH 3.2Å; M422-C1005 HydrophobicContact CE-CB 4.41Å; M422-C1005 HydrophobicContact SD-CB 3.57Å; M422-C1005 VanDerWaalsContact SD-CB 3.57Å; M422-W1007 HydrophobicContact CE-CE3 4.24Å; M422-W1007 HydrophobicContact CE-CZ3 4.09Å; M422-W1007 HydrophobicContact CG-CE3 4.22Å; M422-W1007 HydrophobicContact CG-CZ3 4.12Å; M422-W1007 HydrophobicContact SD-CE3 3.64Å; M422-W1007 HydrophobicContact SD-CZ3 3.92Å
423P87.1Confident79Confident5 Ų568.6 Ų68.63%0.03239%0.39CS..  trans-72.2116-172.827.7-34.5000111.4V426 M429 L976 I981 Y1003 F1004P423-V426 HydrophobicContact CB-CG2 3.69Å; P423-V426 HydrophobicContact CG-CG2 4.45Å; P423-M429 HydrophobicContact CB-CE 4.22Å; P423-M429 HydrophobicContact CG-CE 3.69Å; P423-L976 HydrophobicContact CB-CD2 4.49Å; P423-L976 HydrophobicContact CG-CD2 4.06Å; P423-I981 HydrophobicContact CB-CD1 4.16Å; P423-I981 HydrophobicContact CG-CD1 3.6Å; P423-Y1003 WeakPolarHBondContact CD-OH 3.35Å; P423-Y1003 HydrophobicContact CG-CE2 4.24Å; P423-Y1003 VanDerWaalsContact O-CE2 3.31Å; P423-Y1003 WeakPolarHBondContact O-CE2 3.01Å; P423-F1004 VanDerWaalsContact CG-O 3.22Å; P423-F1004 WeakPolarHBondContact CG-O 3.4Å
424L81.4Confident80.6Confident109 Ų10965.7 Ų65.757%0.57137%0.37SS*.SBendtrans-91.7-12-176.8-61.2180000114.3M422 L432M422-L424 PolarHBondContact O-N 3.35Å; L424-L432 HydrophobicContact CD2-CD2 4.29Å
425S80.8Confident82.5Confident103 Ų10367 Ų6772%0.7237%0.37SS*.  trans-147.336.5-16556.90000113.9
426V91.5Very high84.3Confident14 Ų1463.6 Ų63.69%0.08533%0.332CS..  trans-77.3128169.2166.30000108.9P423 M429 A972 C975 L976P423-V426 HydrophobicContact CB-CG2 3.69Å; P423-V426 HydrophobicContact CG-CG2 4.45Å; V426-M429 HydrophobicContact CB-CB 4.18Å; V426-M429 HydrophobicContact CB-CE 3.72Å; V426-M429 HydrophobicContact CB-SD 4.41Å; V426-M429 HydrophobicContact CG1-CB 3.69Å; V426-M429 HydrophobicContact CG1-CE 4.12Å; V426-M429 HydrophobicContact CG1-SD 4.15Å; V426-M429 HydrophobicContact CG2-CE 4.05Å; V426-A972 HydrophobicContact CG1-CB 4.28Å; V426-C975 HydrophobicContact CG1-CB 4.3Å; V426-C975 HydrophobicContact CG2-CB 4.26Å; V426-L976 HydrophobicContact CG1-CD1 4.39Å; V426-L976 HydrophobicContact CG1-CD2 4.47Å; V426-L976 HydrophobicContact CG1-CG 4.01Å; V426-L976 HydrophobicContact CG2-CD2 3.87Å; V426-L976 HydrophobicContact CG2-CG 4.03Å
427P92.4Very high85.9Confident51 Ų5161 Ų6133%0.33132%0.322SS..THydrogen-bonded Turntrans-68.3153.6175.631.8-36.2000110.7M429 T971 A972 C975P427-M429 PolarHBondContact O-N 3.3Å; P427-M429 VanDerWaalsContact O-N 3.11Å; P427-T971 HydrophobicContact CG-CG2 3.86Å; P427-A972 VanDerWaalsContact O-CB 3.29Å; P427-A972 WeakPolarHBondContact O-CB 3.18Å; P427-C975 HydrophobicContact CG-CB 4.37Å
428H94.1Very high87.2Confident66 Ų6656.4 Ų56.431%0.30628%0.283SS..THydrogen-bonded Turntrans52.830.3-179.6-52.2-80000114.6E968 A972 V999 Q1000 L1001H428-E968 HydrophobicContact CB-CB 4.27Å; H428-E968 IonicContact CE1-OE1 3.41Å; H428-E968 IonicContact ND1-OE1 2.64Å; H428-A972 HydrophobicContact CB-CB 4.25Å; H428-V999 WeakPolarHBondContact CB-O 3.39Å; H428-V999 PolarHBondContact ND1-O 2.88Å; H428-Q1000 CarbonylContact O-C 3.6Å; H428-Q1000 WeakPolarHBondContact O-CA 3.45Å; H428-L1001 PolarHBondContact O-N 2.93Å
429M94.5Very high87.8Confident17 Ų1762.1 Ų62.18%0.08431%0.311CS..BIsolated β-bridgetrans-128.1147.5172.7-171.5174.375.700111.1P423 V426 P427 Q431 L976 L1001 Y1003 F1004P423-M429 HydrophobicContact CB-CE 4.22Å; P423-M429 HydrophobicContact CG-CE 3.69Å; V426-M429 HydrophobicContact CB-CB 4.18Å; V426-M429 HydrophobicContact CB-CE 3.72Å; V426-M429 HydrophobicContact CB-SD 4.41Å; V426-M429 HydrophobicContact CG1-CB 3.69Å; V426-M429 HydrophobicContact CG1-CE 4.12Å; V426-M429 HydrophobicContact CG1-SD 4.15Å; V426-M429 HydrophobicContact CG2-CE 4.05Å; P427-M429 PolarHBondContact O-N 3.3Å; P427-M429 VanDerWaalsContact O-N 3.11Å; M429-Q431 PolarHBondContact O-N 3.49Å; M429-Q431 VanDerWaalsContact O-N 3.11Å; M429-L976 HydrophobicContact CE-CD2 4.24Å; M429-L976 HydrophobicContact SD-CD1 4.09Å; M429-L976 HydrophobicContact SD-CD2 4.05Å; M429-L1001 CarbonylContact C-O 3.6Å; M429-L1001 WeakPolarHBondContact CA-O 3.4Å; M429-L1001 HydrophobicContact CB-CB 4.38Å; M429-L1001 HydrophobicContact CG-CB 4.27Å; M429-L1001 VanDerWaalsContact CG-O 3.32Å; M429-L1001 WeakPolarHBondContact CG-O 3.43Å; M429-Y1003 HydrophobicContact CE-CD2 3.68Å; M429-Y1003 HydrophobicContact CE-CE2 3.9Å; M429-F1004 HydrophobicContact SD-CB 4.31Å; M429-F1004 HydrophobicContact SD-CD2 4.26Å
430V92.9Very high87.9Confident6 Ų659.3 Ų59.34%0.03630%0.302CS..  trans-59.8113.6177.4179.60000110.2L432 L446 H447 L992 Q1000 L1001 Y1003V430-L432 PolarHBondContact O-N 3.3Å; V430-L446 HydrophobicContact CG1-CB 3.8Å; V430-H447 HydrophobicContact CG1-CB 4.48Å; V430-H447 WeakPolarHBondContact CG1-O 3.43Å; V430-L992 HydrophobicContact CG2-CD1 4.03Å; V430-Q1000 HydrophobicContact CB-CG 4.46Å; V430-Q1000 HydrophobicContact CG2-CG 3.82Å; V430-L1001 WeakPolarHBondContact CG2-O 3.26Å; V430-L1001 PolarHBondContact N-O 3.36Å; V430-Y1003 WeakPolarHBondContact O-CD2 3.23Å
431Q91.6Very high87.6Confident110 Ų11057 Ų5751%0.51429%0.289SS..  trans-65.9129.8-178.6-175.6179.952.200112.6M429 H447M429-Q431 PolarHBondContact O-N 3.49Å; M429-Q431 VanDerWaalsContact O-N 3.11Å; Q431-H447 PolarHBondContact O-N 3.15Å; Q431-H447 VanDerWaalsContact O-N 3.08Å; Q431-H447 PolarHBondContact O-ND1 3.21Å; Q431-H447 PolarHBondContact OE1-CE1 3.39Å
432L92.4Very high87.6Confident14 Ų1456.1 Ų56.17%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-71.3121.1167.9179.571.2000110.9M422 L424 V430 K434 F435 L444 L446 Y1003M422-L432 HydrophobicContact CE-CD2 3.64Å; L424-L432 HydrophobicContact CD2-CD2 4.29Å; V430-L432 PolarHBondContact O-N 3.3Å; L432-K434 WeakPolarHBondContact CD1-O 3.09Å; L432-F435 HydrophobicContact CD2-CD1 4.31Å; L432-L444 HydrophobicContact CD1-CB 3.9Å; L432-L444 HydrophobicContact CD1-CD2 4.11Å; L432-L446 HydrophobicContact CB-CD2 4.11Å; L432-L446 HydrophobicContact CD1-CD2 3.66Å; L432-Y1003 HydrophobicContact CB-CD2 4.01Å; L432-Y1003 HydrophobicContact CB-CE2 3.53Å; L432-Y1003 HydrophobicContact CD2-CE1 4.39Å; L432-Y1003 HydrophobicContact CD2-CE2 4.33Å; L432-Y1003 WeakPolarHBondContact CD2-OH 3.46Å; L432-Y1003 HydrophobicContact CG-CE2 4.47Å
433R90.1Very high87.6Confident93 Ų9354.4 Ų54.435%0.35128%0.275SS..EExtended strand (participates in β ladder)trans-87.3-36.7175.6-166.1-114.5-160169.113.9111.8D396 E401 F403 L445D396-R433 IonicContact OD2-CZ 3.21Å; D396-R433 IonicContact OD2-NH1 3.73Å; D396-R433 PolarHBondContact OD2-NH1 3.19Å; D396-R433 VanDerWaalsContact OD2-NH1 3.11Å; D396-R433 IonicContact OD2-NH2 3.83Å; E401-R433 IonicContact OE2-CZ 3.17Å; E401-R433 IonicContact OE2-NH2 3.96Å; E401-R433 PolarHBondContact OE2-NH2 2.85Å; F403-R433 HydrophobicContact CE1-CB 4.25Å; F403-R433 HydrophobicContact CE1-CG 3.95Å; F403-R433 HydrophobicContact CZ-CG 4.42Å; F403-R433 VanDerWaalsContact CZ-CZ 3.45Å; R433-L445 HydrophobicContact CB-CD2 4.5Å; R433-L445 WeakPolarHBondContact CB-O 3.15Å; R433-L445 PolarHBondContact N-O 3.16Å
434K89.6Confident87.8Confident90 Ų9054.1 Ų54.139%0.39127%0.274SS..EExtended strand (participates in β ladder)trans-165.5158.4175.4-177161.3177.5-171.20111.6E378 L432 L445E378-K434 VanDerWaalsContact OE1-CD 3.32Å; E378-K434 WeakPolarHBondContact OE1-CD 3.36Å; E378-K434 WeakPolarHBondContact OE1-CE 3.24Å; E378-K434 IonicContact OE1-NZ 3.54Å; E378-K434 PolarHBondContact OE1-NZ 2.86Å; E378-K434 WeakPolarHBondContact OE2-CE 3.44Å; E378-K434 IonicContact OE2-NZ 2.88Å; E378-K434 PolarHBondContact OE2-NZ 3.44Å; L432-K434 WeakPolarHBondContact CD1-O 3.09Å; K434-L445 HydrophobicContact CB-CB 4.45Å; K434-L445 HydrophobicContact CB-CD2 4.41Å; K434-L445 PolarHBondContact N-O 2.67Å; K434-L445 WeakPolarHBondContact O-CA 3.4Å; K434-L445 VanDerWaalsContact O-CB 3.31Å; K434-L445 WeakPolarHBondContact O-CB 3.14Å; K434-L445 PolarHBondContact O-N 2.89Å
435F89.8Confident88.4Confident86 Ų8649 Ų4938%0.37725%0.247SC..EExtended strand (participates in β ladder)trans-118.7155162.464-91000111.8L432 I437 F443 L444 W1007L432-F435 HydrophobicContact CD2-CD1 4.31Å; F435-I437 HydrophobicContact CD2-CD1 4.32Å; F435-I437 HydrophobicContact CD2-CG1 3.99Å; F435-I437 HydrophobicContact CE2-CD1 3.97Å; F435-I437 HydrophobicContact CE2-CG1 4.15Å; F435-F443 CarbonylContact C-O 3.37Å; F435-F443 WeakPolarHBondContact CA-O 3.13Å; F435-F443 WeakPolarHBondContact CB-O 3.34Å; F435-L444 HydrophobicContact CB-CD2 3.73Å; F435-W1007 AromaticContact CD2-CH2 3.98Å; F435-W1007 HydrophobicContact CD2-CH2 3.98Å; F435-W1007 HydrophobicContact CD2-CZ3 4.28Å; F435-W1007 AromaticContact CE2-CH2 3.95Å; F435-W1007 HydrophobicContact CE2-CH2 3.95Å; F435-W1007 HydrophobicContact CE2-CZ3 4.47Å
436I87.7Confident88.9Confident9 Ų944.5 Ų44.55%0.04622%0.215CC..EExtended strand (participates in β ladder)trans-131.4124178-55.6168.9000107.5P375 E378 L379 Y382 F443P375-I436 HydrophobicContact CB-CG2 3.89Å; E378-I436 HydrophobicContact CB-CD1 4.21Å; E378-I436 HydrophobicContact CG-CD1 3.71Å; E378-I436 HydrophobicContact CG-CG1 4.39Å; L379-I436 HydrophobicContact CD2-CD1 3.89Å; L379-I436 HydrophobicContact CG-CD1 4.13Å; L379-I436 HydrophobicContact CG-CG2 4.49Å; Y382-I436 HydrophobicContact CE2-CD1 4.22Å; I436-F443 HydrophobicContact CB-CB 4.29Å; I436-F443 PolarHBondContact N-O 3.47Å; I436-F443 PolarHBondContact O-N 2.98Å
437I85.6Confident88.9Confident76 Ų7646.9 Ų46.939%0.3923%0.225SC..EExtended strand (participates in β ladder)trans-99.7118.5-179.8-55168.1000108.7P375 F435 V442 W1007P375-I437 WeakPolarHBondContact CG-O 3.29Å; F435-I437 HydrophobicContact CD2-CD1 4.32Å; F435-I437 HydrophobicContact CD2-CG1 3.99Å; F435-I437 HydrophobicContact CE2-CD1 3.97Å; F435-I437 HydrophobicContact CE2-CG1 4.15Å; I437-V442 HydrophobicContact CG1-CG1 4.47Å; I437-V442 HydrophobicContact CG1-CG2 4.5Å; I437-V442 HydrophobicContact CG2-CG2 4.47Å; I437-W1007 HydrophobicContact CD1-CH2 3.75Å; I437-W1007 HydrophobicContact CD1-CZ2 3.68Å; I437-W1007 HydrophobicContact CG1-CH2 3.97Å; I437-W1007 HydrophobicContact CG1-CZ2 4.01Å
438S83.5Confident88.8Confident18 Ų1848.6 Ų48.613%0.12623%0.225CC..  trans-92.7-167.5168.8-159.40000110.9E42 K410 T441E42-S438 WeakPolarHBondContact OE1-CB 3.37Å; E42-S438 PolarHBondContact OE1-OG 3.15Å; K410-S438 PolarHBondContact NZ-O 2.94Å; S438-T441 PolarHBondContact N-O 2.67Å
439E79.3Confident88.6Confident187 Ų18745.7 Ų45.787%0.87421%0.212SC*.SBendtrans-70.3-51.2177.5-62.9-164.4161.800111.5K410K410-E439 PolarHBondContact NZ-O 3.25Å
440D78.9Confident88.1Confident85 Ų8551.3 Ų51.346%0.45524%0.238SC..SBendtrans-99.5-13.6-178.562.64.2000114.6K410K410-D440 VanDerWaalsContact CB-O 3.32Å; K410-D440 WeakPolarHBondContact CB-O 3.27Å; K410-D440 WeakPolarHBondContact CG-O 3.47Å; K410-D440 PolarHBondContact N-O 3.36Å
441T82.1Confident87.6Confident2 Ų252.7 Ų52.71%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-132148.7-164.6-62.10000112.4I136 L408 S438 F443I136-T441 HydrophobicContact CG2-CG2 3.4Å; I136-T441 VanDerWaalsContact CG2-CG2 3.4Å; L408-T441 CarbonylContact O-C 3.44Å; L408-T441 WeakPolarHBondContact O-CA 3.45Å; S438-T441 PolarHBondContact N-O 2.67Å; T441-F443 HydrophobicContact CG2-CD1 4.22Å; T441-F443 HydrophobicContact CG2-CD2 3.74Å; T441-F443 HydrophobicContact CG2-CE1 3.99Å; T441-F443 HydrophobicContact CG2-CE2 3.48Å; T441-F443 VanDerWaalsContact CG2-CE2 3.48Å; T441-F443 HydrophobicContact CG2-CG 4.11Å; T441-F443 HydrophobicContact CG2-CZ 3.61Å
442V86.6Confident87.5Confident0 Ų048.7 Ų48.70%024%0.243CC..EExtended strand (participates in β ladder)trans-113.4111.5163.2-176.60000109L408 K410 I437 L444 W1007L408-V442 HydrophobicContact CB-CB 4.37Å; L408-V442 PolarHBondContact N-O 3.04Å; L408-V442 PolarHBondContact O-N 2.94Å; K410-V442 HydrophobicContact CG-CG2 4.37Å; I437-V442 HydrophobicContact CG1-CG1 4.47Å; I437-V442 HydrophobicContact CG1-CG2 4.5Å; I437-V442 HydrophobicContact CG2-CG2 4.47Å; V442-L444 HydrophobicContact CG1-CD2 4.15Å; V442-W1007 HydrophobicContact CG1-CD2 4.39Å; V442-W1007 HydrophobicContact CG1-CE3 4.06Å; V442-W1007 HydrophobicContact CG1-CH2 3.92Å; V442-W1007 HydrophobicContact CG1-CZ2 4.25Å; V442-W1007 HydrophobicContact CG1-CZ3 3.82Å; V442-W1007 HydrophobicContact CG2-CD2 4.17Å; V442-W1007 HydrophobicContact CG2-CH2 4.41Å; V442-W1007 HydrophobicContact CG2-CZ2 3.9Å
443F88.5Confident87.4Confident1 Ų150.1 Ų50.10%0.00425%0.248CC..EExtended strand (participates in β ladder)trans-87.4131.8174.9-68.5-81.9000110.9E42 I136 L379 L405 K406 F435 I436 T441E42-F443 HydrophobicContact CG-CE2 3.93Å; E42-F443 HydrophobicContact CG-CZ 3.65Å; I136-F443 HydrophobicContact CD1-CE1 4.13Å; I136-F443 HydrophobicContact CD1-CZ 4.4Å; I136-F443 HydrophobicContact CG1-CE1 4.42Å; I136-F443 HydrophobicContact CG2-CE1 4.01Å; I136-F443 HydrophobicContact CG2-CZ 4.14Å; L379-F443 HydrophobicContact CD1-CD2 3.79Å; L379-F443 HydrophobicContact CD1-CE2 3.66Å; L379-F443 HydrophobicContact CD1-CZ 4.3Å; L379-F443 HydrophobicContact CD2-CB 4.41Å; L379-F443 HydrophobicContact CD2-CD1 4.4Å; L379-F443 HydrophobicContact CD2-CD2 4.14Å; L379-F443 HydrophobicContact CD2-CG 4.06Å; L405-F443 HydrophobicContact CD1-CB 4.05Å; L405-F443 HydrophobicContact CD1-CD1 4.46Å; L405-F443 HydrophobicContact CD2-CD1 4.1Å; L405-F443 HydrophobicContact CG-CD1 4.08Å; K406-F443 CarbonylContact O-C 3.35Å; K406-F443 WeakPolarHBondContact O-CA 3.26Å; F435-F443 CarbonylContact C-O 3.37Å; F435-F443 WeakPolarHBondContact CA-O 3.13Å; F435-F443 WeakPolarHBondContact CB-O 3.34Å; I436-F443 HydrophobicContact CB-CB 4.29Å; I436-F443 PolarHBondContact N-O 3.47Å; I436-F443 PolarHBondContact O-N 2.98Å; T441-F443 HydrophobicContact CG2-CD1 4.22Å; T441-F443 HydrophobicContact CG2-CD2 3.74Å; T441-F443 HydrophobicContact CG2-CE1 3.99Å; T441-F443 HydrophobicContact CG2-CE2 3.48Å; T441-F443 VanDerWaalsContact CG2-CE2 3.48Å; T441-F443 HydrophobicContact CG2-CG 4.11Å; T441-F443 HydrophobicContact CG2-CZ 3.61Å
444L91.2Very high87.5Confident0 Ų045.7 Ų45.70%023%0.231CC..EExtended strand (participates in β ladder)trans-108.2120.5174.4-55.6-174.2000109.8L405 K406 L408 M422 L432 F435 V442 L446 Y1003L405-L444 WeakPolarHBondContact CA-O 3.41Å; K406-L444 HydrophobicContact CB-CB 4.43Å; K406-L444 PolarHBondContact N-O 2.89Å; K406-L444 PolarHBondContact O-N 3.23Å; L408-L444 HydrophobicContact CD1-CD1 3.79Å; L408-L444 HydrophobicContact CD1-CG 4.19Å; L408-L444 HydrophobicContact CG-CD1 4.4Å; M422-L444 HydrophobicContact CE-CD2 3.54Å; L432-L444 HydrophobicContact CD1-CB 3.9Å; L432-L444 HydrophobicContact CD1-CD2 4.11Å; F435-L444 HydrophobicContact CB-CD2 3.73Å; V442-L444 HydrophobicContact CG1-CD2 4.15Å; L444-L446 HydrophobicContact CB-CD2 4.17Å; L444-L446 HydrophobicContact CB-CG 4.26Å; L444-Y1003 HydrophobicContact CD1-CD1 3.62Å; L444-Y1003 HydrophobicContact CD1-CE1 3.76Å
445L92.4Very high87.5Confident1 Ų143.8 Ų43.81%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-95.8102.6173.5-172.179.2000108.9Y382 V394 F403 L405 R433 K434Y382-L445 HydrophobicContact CD1-CD1 4.03Å; Y382-L445 HydrophobicContact CE1-CD1 3.78Å; Y382-L445 HydrophobicContact CE1-CD2 3.64Å; Y382-L445 HydrophobicContact CE1-CG 4.39Å; Y382-L445 WeakPolarHBondContact OH-CD2 3.5Å; V394-L445 HydrophobicContact CG2-CD1 3.98Å; F403-L445 HydrophobicContact CB-CD1 3.53Å; F403-L445 HydrophobicContact CB-CG 3.99Å; F403-L445 HydrophobicContact CD1-CG 4.32Å; F403-L445 HydrophobicContact CD2-CD1 4.3Å; F403-L445 HydrophobicContact CD2-CD2 4.41Å; F403-L445 HydrophobicContact CG-CD1 3.96Å; F403-L445 HydrophobicContact CG-CD2 4.32Å; F403-L445 HydrophobicContact CG-CG 4.04Å; L405-L445 HydrophobicContact CD1-CB 4.32Å; L405-L445 HydrophobicContact CD1-CD1 4.01Å; R433-L445 HydrophobicContact CB-CD2 4.5Å; R433-L445 WeakPolarHBondContact CB-O 3.15Å; R433-L445 PolarHBondContact N-O 3.16Å; K434-L445 HydrophobicContact CB-CB 4.45Å; K434-L445 HydrophobicContact CB-CD2 4.41Å; K434-L445 PolarHBondContact N-O 2.67Å; K434-L445 WeakPolarHBondContact O-CA 3.4Å; K434-L445 VanDerWaalsContact O-CB 3.31Å; K434-L445 WeakPolarHBondContact O-CB 3.14Å; K434-L445 PolarHBondContact O-N 2.89Å
446L92.9Very high87.4Confident9 Ų942.9 Ų42.95%0.04723%0.226CC..EExtended strand (participates in β ladder)trans-104151.4-173.5-56.5178.3000110.4F403 I404 K406 V430 L432 L444 Y1003F403-L446 WeakPolarHBondContact CA-O 3.03Å; F403-L446 WeakPolarHBondContact CB-O 3.39Å; I404-L446 HydrophobicContact CB-CB 4.19Å; I404-L446 HydrophobicContact CG2-CD1 4.45Å; I404-L446 PolarHBondContact N-O 2.79Å; I404-L446 PolarHBondContact O-N 2.99Å; K406-L446 HydrophobicContact CB-CD1 4.18Å; K406-L446 HydrophobicContact CD-CD1 4.47Å; V430-L446 HydrophobicContact CG1-CB 3.8Å; L432-L446 HydrophobicContact CB-CD2 4.11Å; L432-L446 HydrophobicContact CD1-CD2 3.66Å; L444-L446 HydrophobicContact CB-CD2 4.17Å; L444-L446 HydrophobicContact CB-CG 4.26Å; L446-Y1003 HydrophobicContact CD2-CD1 4.04Å; L446-Y1003 HydrophobicContact CD2-CD2 4.04Å; L446-Y1003 HydrophobicContact CD2-CG 3.6Å
447H91.5Very high87.3Confident64 Ų6445.6 Ų45.630%0.29624%0.239SC..EExtended strand (participates in β ladder)trans-64.3149.2170.3-70.688.2000111.5V430 Q431V430-H447 HydrophobicContact CG1-CB 4.48Å; V430-H447 WeakPolarHBondContact CG1-O 3.43Å; Q431-H447 PolarHBondContact O-N 3.15Å; Q431-H447 VanDerWaalsContact O-N 3.08Å; Q431-H447 PolarHBondContact O-ND1 3.21Å; Q431-H447 PolarHBondContact OE1-CE1 3.39Å
448Y89.8Confident87.4Confident86 Ų8642.8 Ų42.834%0.33722%0.224SC..PPolyproline II helixtrans-81.8131.8173.9-180-120000110.4I388 L393 I404 E450I388-Y448 HydrophobicContact CD1-CE2 4.33Å; L393-Y448 HydrophobicContact CD1-CD2 3.85Å; L393-Y448 HydrophobicContact CD1-CE2 4.1Å; L393-Y448 HydrophobicContact CD1-CG 4.27Å; I404-Y448 HydrophobicContact CD1-CD2 3.9Å; I404-Y448 HydrophobicContact CD1-CE2 4.45Å; I404-Y448 HydrophobicContact CG1-CD2 4.03Å; Y448-E450 HydrophobicContact CD1-CG 4.02Å; Y448-E450 HydrophobicContact CE1-CG 4.18Å
449A89Confident87.3Confident5 Ų542.8 Ų42.84%0.04123%0.227CC..  trans-95.3109174.700000109.3G451 G452 L992A449-G451 VanDerWaalsContact C-N 3.35Å; A449-G451 PolarHBondContact O-N 2.82Å; A449-G452 PolarHBondContact O-N 3.42Å; A449-L992 HydrophobicContact CB-CB 4.02Å; A449-L992 HydrophobicContact CB-CD1 3.86Å
450E84.4Confident87.3Confident135 Ų13539.8 Ų39.863%0.63121%0.211SC*.THydrogen-bonded Turntrans-71-25-168.1-61.3-173.3166.800114.1Y448 G452 H995Y448-E450 HydrophobicContact CD1-CG 4.02Å; Y448-E450 HydrophobicContact CE1-CG 4.18Å; E450-G452 VanDerWaalsContact C-N 3.28Å; E450-G452 PolarHBondContact O-N 2.92Å; E450-H995 HydrophobicContact CB-CB 4.37Å
451G83.4Confident87.2Confident35 Ų3538.4 Ų38.436%0.36120%0.2SC..THydrogen-bonded Turntrans-72.9-15.317800000114.6A449 L993 D994A449-G451 VanDerWaalsContact C-N 3.35Å; A449-G451 PolarHBondContact O-N 2.82Å; G451-L993 WeakPolarHBondContact CA-O 3.22Å; G451-L993 PolarHBondContact N-O 3.08Å; G451-L993 VanDerWaalsContact N-O 3.08Å; G451-D994 VanDerWaalsContact CA-O 3.3Å; G451-D994 WeakPolarHBondContact CA-O 3.26Å; G451-D994 PolarHBondContact N-O 2.77Å
452G88.1Confident87Confident27 Ų2741.6 Ų41.628%0.27822%0.217SC..EExtended strand (participates in β ladder)trans74.9-153.4-178.300000113.1A449 E450 L992 L993A449-G452 PolarHBondContact O-N 3.42Å; E450-G452 VanDerWaalsContact C-N 3.28Å; E450-G452 PolarHBondContact O-N 2.92Å; G452-L992 CarbonylContact O-C 3.59Å; G452-L992 WeakPolarHBondContact O-CA 3.36Å; G452-L992 WeakPolarHBondContact O-CB 3.49Å; G452-L993 PolarHBondContact O-N 3.45Å
453K90.8Very high86.1Confident43 Ų4350.7 Ų50.719%0.18725%0.251CS..EExtended strand (participates in β ladder)trans-79.8140.9178-67-176.2-179176.70111.6N389 W455 S456 H457 N989 L992N389-K453 WeakPolarHBondContact ND2-CE 3.23Å; N389-K453 PolarHBondContact ND2-NZ 2.89Å; K453-W455 PolarHBondContact O-N 3.31Å; K453-S456 WeakPolarHBondContact O-CA 3.2Å; K453-S456 WeakPolarHBondContact O-CB 3.32Å; K453-S456 PolarHBondContact O-N 3.16Å; K453-H457 PolarHBondContact O-N 2.87Å; K453-N989 PolarHBondContact NZ-OD1 3.15Å; K453-L992 HydrophobicContact CG-CD2 3.92Å
454L92.2Very high84.6Confident0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-54-47.6175.1169.958.4000112.5S456 H457 I458 W965 I991 L993 L1050L454-S456 PolarHBondContact O-N 3.23Å; L454-H457 WeakPolarHBondContact O-CA 3.17Å; L454-H457 WeakPolarHBondContact O-CB 3.17Å; L454-H457 PolarHBondContact O-N 3.29Å; L454-I458 HydrophobicContact CD1-CD1 3.78Å; L454-I458 HydrophobicContact CD1-CG1 3.97Å; L454-I458 HydrophobicContact CD2-CD1 4.37Å; L454-I458 HydrophobicContact CG-CD1 3.7Å; L454-I458 HydrophobicContact CG-CG1 4.36Å; L454-I458 PolarHBondContact O-N 2.86Å; L454-W965 HydrophobicContact CD1-CD2 4.05Å; L454-W965 HydrophobicContact CD1-CE3 4.02Å; L454-W965 HydrophobicContact CD1-CH2 3.65Å; L454-W965 HydrophobicContact CD1-CZ2 3.64Å; L454-W965 HydrophobicContact CD1-CZ3 3.83Å; L454-W965 HydrophobicContact CD2-CD2 4.08Å; L454-W965 HydrophobicContact CD2-CE3 3.91Å; L454-W965 HydrophobicContact CD2-CG 4.49Å; L454-W965 HydrophobicContact CD2-CZ3 4.36Å; L454-I991 HydrophobicContact CB-CG2 3.8Å; L454-I991 HydrophobicContact CD2-CG2 3.68Å; L454-I991 HydrophobicContact CG-CG2 4.39Å; L454-I991 PolarHBondContact N-O 3.23Å; L454-L993 HydrophobicContact CB-CD2 4.41Å; L454-L993 HydrophobicContact CB-CG 4.2Å; L454-L993 HydrophobicContact CD1-CD1 3.96Å; L454-L993 HydrophobicContact CD1-CD2 4.18Å; L454-L993 HydrophobicContact CD1-CG 4.29Å; L454-L1050 HydrophobicContact CD2-CD1 4.45Å; L454-L1050 HydrophobicContact CD2-CD2 4.32Å
455W90.8Very high82.7Confident50 Ų5057.7 Ų57.719%0.18929%0.292CS..Hα-helixtrans-61-27.4177.3-83.1-112000113.6K453 H457 G459 P988 I991 I1046 E1049 L1050K453-W455 PolarHBondContact O-N 3.31Å; W455-H457 VanDerWaalsContact C-N 3.31Å; W455-G459 PolarHBondContact O-N 2.81Å; W455-P988 HydrophobicContact CD2-CB 3.69Å; W455-P988 HydrophobicContact CD2-CG 4.42Å; W455-P988 HydrophobicContact CE3-CB 3.83Å; W455-P988 HydrophobicContact CG-CB 4.3Å; W455-P988 HydrophobicContact CH2-CB 3.94Å; W455-P988 HydrophobicContact CH2-CG 3.99Å; W455-P988 HydrophobicContact CZ2-CB 3.77Å; W455-P988 HydrophobicContact CZ2-CG 3.61Å; W455-P988 HydrophobicContact CZ3-CB 3.97Å; W455-I991 HydrophobicContact CH2-CD1 3.99Å; W455-I991 HydrophobicContact CZ3-CB 4.01Å; W455-I991 HydrophobicContact CZ3-CD1 3.8Å; W455-I991 HydrophobicContact CZ3-CG1 4.43Å; W455-I991 HydrophobicContact CZ3-CG2 4.36Å; W455-I1046 HydrophobicContact CH2-CG1 4.35Å; W455-I1046 HydrophobicContact CH2-CG2 4.03Å; W455-E1049 WeakPolarHBondContact CZ2-OE2 3.15Å; W455-E1049 PolarHBondContact NE1-OE1 3.35Å; W455-E1049 PolarHBondContact NE1-OE2 3.04Å; W455-L1050 HydrophobicContact CH2-CD1 4.35Å; W455-L1050 HydrophobicContact CH2-CD2 4.14Å; W455-L1050 HydrophobicContact CH2-CG 4.24Å; W455-L1050 HydrophobicContact CZ2-CD2 4.01Å; W455-L1050 HydrophobicContact CZ2-CG 4.2Å
456S87.1Confident80.3Confident67 Ų6760.6 Ų60.647%0.46931%0.313SS..Hα-helixtrans-78.4-14.7174.2-56.80000113.5K453 L454 K460K453-S456 WeakPolarHBondContact O-CA 3.2Å; K453-S456 WeakPolarHBondContact O-CB 3.32Å; K453-S456 PolarHBondContact O-N 3.16Å; L454-S456 PolarHBondContact O-N 3.23Å; S456-K460 WeakPolarHBondContact O-CD 3.47Å; S456-K460 VanDerWaalsContact O-CE 3.31Å; S456-K460 WeakPolarHBondContact O-CE 3.35Å; S456-K460 WeakPolarHBondContact O-CG 3.29Å
457H86.1Confident78Confident67 Ų6766.9 Ų66.931%0.3135%0.354SS..Hα-helixtrans-85-50.9166.7-171.8107.3000110.3K453 L454 W455 G459 K460 Y461 L993K453-H457 PolarHBondContact O-N 2.87Å; L454-H457 WeakPolarHBondContact O-CA 3.17Å; L454-H457 WeakPolarHBondContact O-CB 3.17Å; L454-H457 PolarHBondContact O-N 3.29Å; W455-H457 VanDerWaalsContact C-N 3.31Å; H457-G459 VanDerWaalsContact C-N 3.34Å; H457-G459 PolarHBondContact O-N 2.95Å; H457-K460 WeakPolarHBondContact O-CA 3.31Å; H457-K460 WeakPolarHBondContact O-CB 3.38Å; H457-K460 PolarHBondContact O-N 3.49Å; H457-Y461 PolarHBondContact O-N 2.81Å; H457-Y461 VanDerWaalsContact O-N 3.09Å; H457-L993 HydrophobicContact CB-CD1 3.97Å
458I87.1Confident75.4Confident16 Ų1672.6 Ų72.68%0.08238%0.381CS..Hα-helixtrans-52.8-50.6176.7-65.8166.1000110.9L454 K460 Y461 L462 I957 W965 L1050L454-I458 HydrophobicContact CD1-CD1 3.78Å; L454-I458 HydrophobicContact CD1-CG1 3.97Å; L454-I458 HydrophobicContact CD2-CD1 4.37Å; L454-I458 HydrophobicContact CG-CD1 3.7Å; L454-I458 HydrophobicContact CG-CG1 4.36Å; L454-I458 PolarHBondContact O-N 2.86Å; I458-K460 PolarHBondContact O-N 2.83Å; I458-K460 VanDerWaalsContact O-N 3.08Å; I458-Y461 WeakPolarHBondContact O-CB 3.36Å; I458-Y461 PolarHBondContact O-N 2.72Å; I458-L462 HydrophobicContact CG2-CD1 3.67Å; I458-L462 HydrophobicContact CG2-CG 4.03Å; I458-L462 WeakPolarHBondContact O-CG 3.18Å; I458-L462 PolarHBondContact O-N 2.68Å; I458-I957 HydrophobicContact CB-CD1 4.46Å; I458-I957 HydrophobicContact CD1-CD1 3.64Å; I458-I957 HydrophobicContact CG1-CD1 3.83Å; I458-I957 HydrophobicContact CG2-CD1 3.77Å; I458-I957 HydrophobicContact CG2-CG1 4.31Å; I458-W965 HydrophobicContact CD1-CZ3 4.29Å; I458-W965 HydrophobicContact CG1-CH2 4.41Å; I458-L1050 HydrophobicContact CD1-CD2 3.37Å
459G81.3Confident73.1Confident19 Ų1974.6 Ų74.620%0.19639%0.394CS..Hα-helixtrans-64.1-13.9178.700000114.9W455 H457 R463W455-G459 PolarHBondContact O-N 2.81Å; H457-G459 VanDerWaalsContact C-N 3.34Å; H457-G459 PolarHBondContact O-N 2.95Å; G459-R463 WeakPolarHBondContact O-CG 3.3Å; G459-R463 PolarHBondContact O-NE 3.19Å; G459-R463 PolarHBondContact O-NH1 3.23Å; G459-R463 PolarHBondContact O-NH2 3.04Å
460K80.1Confident70.8Confident124 Ų12478.4 Ų78.454%0.53942%0.42SS..Hα-helixtrans-83.4-49.3167.6-66.5167.6-174.2171.60110.4S456 H457 I458 L462 R463 N464S456-K460 WeakPolarHBondContact O-CD 3.47Å; S456-K460 VanDerWaalsContact O-CE 3.31Å; S456-K460 WeakPolarHBondContact O-CE 3.35Å; S456-K460 WeakPolarHBondContact O-CG 3.29Å; H457-K460 WeakPolarHBondContact O-CA 3.31Å; H457-K460 WeakPolarHBondContact O-CB 3.38Å; H457-K460 PolarHBondContact O-N 3.49Å; I458-K460 PolarHBondContact O-N 2.83Å; I458-K460 VanDerWaalsContact O-N 3.08Å; K460-L462 PolarHBondContact O-N 3.05Å; K460-R463 PolarHBondContact O-N 2.95Å; K460-R463 VanDerWaalsContact O-N 3.07Å; K460-N464 WeakPolarHBondContact O-CB 3.35Å; K460-N464 PolarHBondContact O-N 3.48Å; K460-N464 PolarHBondContact O-OD1 2.92Å
461Y76.4Confident69.1Low55 Ų5574 Ų7422%0.21640%0.398CS..Hα-helixtrans-51.8-53176.8170.3-107000111.4H457 I458 R463 N464 S465 F471H457-Y461 PolarHBondContact O-N 2.81Å; H457-Y461 VanDerWaalsContact O-N 3.09Å; I458-Y461 WeakPolarHBondContact O-CB 3.36Å; I458-Y461 PolarHBondContact O-N 2.72Å; Y461-R463 PolarHBondContact O-N 3.44Å; Y461-N464 PolarHBondContact O-N 2.91Å; Y461-S465 WeakPolarHBondContact O-CB 3.42Å; Y461-S465 PolarHBondContact O-N 3.46Å; Y461-S465 PolarHBondContact O-OG 3.1Å; Y461-F471 HydrophobicContact CD1-CD2 4.25Å; Y461-F471 AromaticContact CD1-CE2 3.74Å; Y461-F471 HydrophobicContact CD1-CE2 3.74Å; Y461-F471 AromaticContact CD2-CD2 3.77Å; Y461-F471 HydrophobicContact CD2-CD2 3.77Å; Y461-F471 AromaticContact CD2-CE2 3.97Å; Y461-F471 HydrophobicContact CD2-CE2 3.97Å; Y461-F471 HydrophobicContact CD2-CG 4.38Å; Y461-F471 AromaticContact CE1-CD2 3.85Å; Y461-F471 HydrophobicContact CE1-CD2 3.85Å; Y461-F471 AromaticContact CE1-CE2 3.61Å; Y461-F471 HydrophobicContact CE1-CE2 3.61Å; Y461-F471 HydrophobicContact CE2-CB 4.35Å; Y461-F471 AromaticContact CE2-CD2 3.32Å; Y461-F471 HydrophobicContact CE2-CD2 3.32Å; Y461-F471 AromaticContact CE2-CE2 3.85Å; Y461-F471 HydrophobicContact CE2-CE2 3.85Å; Y461-F471 HydrophobicContact CE2-CG 4.07Å; Y461-F471 HydrophobicContact CG-CD2 4.22Å; Y461-F471 AromaticContact CG-CE2 3.93Å; Y461-F471 HydrophobicContact CG-CE2 3.93Å; Y461-F471 AromaticContact CZ-CD2 3.37Å; Y461-F471 AromaticContact CZ-CE2 3.67Å
462L76.5Confident67.2Low69 Ų6978.4 Ų78.436%0.36141%0.414SS..Hα-helixtrans-63.7-14.1-179.8-61.6-177.4000115.1I458 K460 A955I458-L462 HydrophobicContact CG2-CD1 3.67Å; I458-L462 HydrophobicContact CG2-CG 4.03Å; I458-L462 WeakPolarHBondContact O-CG 3.18Å; I458-L462 PolarHBondContact O-N 2.68Å; K460-L462 PolarHBondContact O-N 3.05Å; L462-A955 HydrophobicContact CD2-CB 4.02Å; L462-A955 WeakPolarHBondContact CD2-O 3.33Å
463R68.1Low65.3Low192 Ų19277.9 Ų77.973%0.72540%0.404SS*.Hα-helixtrans-102-17.8174.1-72-169.6-61.5-109.5-4.5113.6G459 K460 Y461G459-R463 WeakPolarHBondContact O-CG 3.3Å; G459-R463 PolarHBondContact O-NE 3.19Å; G459-R463 PolarHBondContact O-NH1 3.23Å; G459-R463 PolarHBondContact O-NH2 3.04Å; K460-R463 PolarHBondContact O-N 2.95Å; K460-R463 VanDerWaalsContact O-N 3.07Å; Y461-R463 PolarHBondContact O-N 3.44Å
464N57.7Low63Low98 Ų9881.2 Ų81.252%0.52443%0.43SS..Hα-helixtrans-101.9-13.1-177.2-76.431000112.8K460 Y461 S466K460-N464 WeakPolarHBondContact O-CB 3.35Å; K460-N464 PolarHBondContact O-N 3.48Å; K460-N464 PolarHBondContact O-OD1 2.92Å; Y461-N464 PolarHBondContact O-N 2.91Å; N464-S466 PolarHBondContact O-N 2.98Å
465S51Low60.7Low49 Ų4987.5 Ų87.534%0.34346%0.458SS..  trans-66.868.1-178.556.40000113.6Y461Y461-S465 WeakPolarHBondContact O-CB 3.42Å; Y461-S465 PolarHBondContact O-N 3.46Å; Y461-S465 PolarHBondContact O-OG 3.1Å
466S41.8Very low58.5Low63 Ų6387.8 Ų87.844%0.44146%0.463SS..  trans-70.2154.5149.376.90000109N464 E468 E469N464-S466 PolarHBondContact O-N 2.98Å; S466-E468 PolarHBondContact O-N 2.88Å; S466-E469 PolarHBondContact O-N 3.4Å
467P45.2Very low55.9Low140 Ų14093 Ų9391%0.90948%0.48SS*.THydrogen-bonded Turntrans-70.89.2-172.129-36.5000115.6
468E37.3Very low53.5Low185 Ų18599.1 Ų99.186%0.86451%0.506SS*.THydrogen-bonded Turntrans-117.5-7.7-178.1-61.1-169.7156.300114.6S466S466-E468 PolarHBondContact O-N 2.88Å
469E40.2Very low50.8Low128 Ų128103.3 Ų103.360%0.59854%0.536SS*.  trans-102.1125.5175.7-66.6-166.3163.200111.5S466S466-E469 PolarHBondContact O-N 3.4Å
470S42.2Very low48.3Very low85 Ų85111 Ų11159%0.59457%0.566SS**  trans-82.1160-178.545.70000113.9D472S470-D472 WeakPolarHBondContact CB-OD1 3.46Å; S470-D472 PolarHBondContact O-N 3.08Å; S470-D472 PolarHBondContact OG-OD1 3.18Å
471F47.9Very low45.8Very low41 Ų41111.5 Ų111.518%0.1858%0.581CS.*  trans-74.573.1176.8-155.2-61.2000110.7Y461 I473 I957 P958 F961Y461-F471 HydrophobicContact CD1-CD2 4.25Å; Y461-F471 AromaticContact CD1-CE2 3.74Å; Y461-F471 HydrophobicContact CD1-CE2 3.74Å; Y461-F471 AromaticContact CD2-CD2 3.77Å; Y461-F471 HydrophobicContact CD2-CD2 3.77Å; Y461-F471 AromaticContact CD2-CE2 3.97Å; Y461-F471 HydrophobicContact CD2-CE2 3.97Å; Y461-F471 HydrophobicContact CD2-CG 4.38Å; Y461-F471 AromaticContact CE1-CD2 3.85Å; Y461-F471 HydrophobicContact CE1-CD2 3.85Å; Y461-F471 AromaticContact CE1-CE2 3.61Å; Y461-F471 HydrophobicContact CE1-CE2 3.61Å; Y461-F471 HydrophobicContact CE2-CB 4.35Å; Y461-F471 AromaticContact CE2-CD2 3.32Å; Y461-F471 HydrophobicContact CE2-CD2 3.32Å; Y461-F471 AromaticContact CE2-CE2 3.85Å; Y461-F471 HydrophobicContact CE2-CE2 3.85Å; Y461-F471 HydrophobicContact CE2-CG 4.07Å; Y461-F471 HydrophobicContact CG-CD2 4.22Å; Y461-F471 AromaticContact CG-CE2 3.93Å; Y461-F471 HydrophobicContact CG-CE2 3.93Å; Y461-F471 AromaticContact CZ-CD2 3.37Å; Y461-F471 AromaticContact CZ-CE2 3.67Å; F471-I473 VanDerWaalsContact C-N 3.28Å; F471-I473 HydrophobicContact CD1-CD1 4.45Å; F471-I473 HydrophobicContact CD1-CG1 4.11Å; F471-I473 HydrophobicContact CE1-CD1 3.71Å; F471-I473 HydrophobicContact CE1-CG1 3.83Å; F471-I473 PolarHBondContact O-N 2.86Å; F471-I957 HydrophobicContact CE2-CG2 4.42Å; F471-I957 HydrophobicContact CZ-CG2 4.42Å; F471-P958 HydrophobicContact CD2-CG 4.37Å; F471-F961 HydrophobicContact CB-CE2 4.4Å; F471-F961 HydrophobicContact CB-CZ 4.06Å; F471-F961 AromaticContact CD1-CD1 3.99Å; F471-F961 HydrophobicContact CD1-CD1 3.99Å; F471-F961 HydrophobicContact CD1-CD2 4.43Å; F471-F961 AromaticContact CD1-CE1 3.31Å; F471-F961 HydrophobicContact CD1-CE1 3.31Å; F471-F961 AromaticContact CD1-CE2 3.85Å; F471-F961 HydrophobicContact CD1-CE2 3.85Å; F471-F961 AromaticContact CD1-CZ 3.24Å; F471-F961 HydrophobicContact CD1-CZ 3.24Å; F471-F961 HydrophobicContact CD2-CE2 4.16Å; F471-F961 HydrophobicContact CD2-CZ 4.34Å; F471-F961 AromaticContact CE1-CD1 3.53Å; F471-F961 HydrophobicContact CE1-CD1 3.53Å; F471-F961 HydrophobicContact CE1-CD2 4.23Å; F471-F961 AromaticContact CE1-CE1 3.35Å; F471-F961 HydrophobicContact CE1-CE1 3.35Å; F471-F961 HydrophobicContact CE1-CE2 4.11Å; F471-F961 AromaticContact CE1-CG 3.97Å; F471-F961 HydrophobicContact CE1-CG 3.97Å; F471-F961 AromaticContact CE1-CZ 3.68Å; F471-F961 HydrophobicContact CE1-CZ 3.68Å; F471-F961 HydrophobicContact CE2-CD2 4.39Å; F471-F961 HydrophobicContact CE2-CE2 4.42Å; F471-F961 HydrophobicContact CG-CE1 4.17Å; F471-F961 AromaticContact CG-CE2 3.89Å; F471-F961 HydrophobicContact CG-CE2 3.89Å; F471-F961 AromaticContact CG-CZ 3.64Å; F471-F961 HydrophobicContact CG-CZ 3.64Å; F471-F961 HydrophobicContact CZ-CD1 4.09Å; F471-F961 HydrophobicContact CZ-CD2 4.22Å; F471-F961 HydrophobicContact CZ-CE1 4.24Å; F471-F961 HydrophobicContact CZ-CE2 4.39Å; F471-F961 HydrophobicContact CZ-CG 4.07Å; F471-F961 HydrophobicContact CZ-CZ 4.4Å
472D42.9Very low43.4Very low129 Ų129115.6 Ų115.669%0.6961%0.611SS**  trans-80.465.7-173.3-78.621.8000112.7S470S470-D472 WeakPolarHBondContact CB-OD1 3.46Å; S470-D472 PolarHBondContact O-N 3.08Å; S470-D472 PolarHBondContact OG-OD1 3.18Å
473I48.9Very low41Very low15 Ų15116.9 Ų116.98%0.07763%0.632CS.*  trans-80128.9154.1-71.1-171.8000107.9F471 F475 F961 W965F471-I473 VanDerWaalsContact C-N 3.28Å; F471-I473 HydrophobicContact CD1-CD1 4.45Å; F471-I473 HydrophobicContact CD1-CG1 4.11Å; F471-I473 HydrophobicContact CE1-CD1 3.71Å; F471-I473 HydrophobicContact CE1-CG1 3.83Å; F471-I473 PolarHBondContact O-N 2.86Å; I473-F475 HydrophobicContact CG2-CB 4.38Å; I473-F475 PolarHBondContact O-N 2.88Å; I473-F961 HydrophobicContact CB-CE1 4.19Å; I473-F961 HydrophobicContact CD1-CD1 4.09Å; I473-F961 HydrophobicContact CD1-CE1 4.2Å; I473-F961 HydrophobicContact CG1-CE1 4.4Å; I473-W965 HydrophobicContact CD1-CZ2 4.04Å
474P42.9Very low38.9Very low113 Ų113114.3 Ų114.373%0.73464%0.637SS**THydrogen-bonded Turntrans-56.3-11.1-172-29.835.4000118.1
475F44.5Very low37.4Very low132 Ų132118.1 Ų118.158%0.57965%0.651SS**THydrogen-bonded Turntrans-103.1-35.6-166.4-172.3-111.5000115.1I473 Q477I473-F475 HydrophobicContact CG2-CB 4.38Å; I473-F475 PolarHBondContact O-N 2.88Å; F475-Q477 VanDerWaalsContact C-N 3.35Å; F475-Q477 PolarHBondContact O-N 2.76Å
476I43.2Very low36.1Very low56 Ų56120.6 Ų120.629%0.28767%0.669SS.*SBendtrans-73.5-21.2-160.8-65.3-119.4000113.7K478 F961I476-K478 PolarHBondContact O-N 2.88Å; I476-F961 HydrophobicContact CB-CE1 4.07Å; I476-F961 HydrophobicContact CB-CZ 4.22Å; I476-F961 HydrophobicContact CD1-CD1 3.56Å; I476-F961 HydrophobicContact CD1-CE1 3.51Å; I476-F961 HydrophobicContact CD1-CG 4.19Å; I476-F961 HydrophobicContact CD1-CZ 4.1Å; I476-F961 HydrophobicContact CG1-CD1 4.01Å; I476-F961 HydrophobicContact CG1-CE1 3.5Å; I476-F961 HydrophobicContact CG1-CZ 4.13Å; I476-F961 HydrophobicContact CG2-CE1 4.32Å; I476-F961 HydrophobicContact CG2-CZ 4.05Å
477Q33.8Very low35.4Very low177 Ų177123.5 Ų123.583%0.82769%0.686SS**SBendtrans-87.979.1169.5-72-167.1200113.3F475F475-Q477 VanDerWaalsContact C-N 3.35Å; F475-Q477 PolarHBondContact O-N 2.76Å
478K33.8Very low34.4Very low196 Ų196125.4 Ų125.485%0.85268%0.683SS**  trans-17188.4157-101.4139.5-164.7161.10114.7I476I476-K478 PolarHBondContact O-N 2.88Å
479S30.4Very low33.8Very low104 Ų104125.7 Ų125.773%0.72768%0.683SS**  trans-149.114171.152.50000116.5
480H29.5Very low33Very low179 Ų179127.8 Ų127.883%0.82970%0.697SS**SBendtrans-126.695.9172.2-71.7-26.6000113.7
481T27.7Very low32.3Very low136 Ų136130.6 Ų130.683%0.83470%0.704SS**  trans21.4103.9155.954.20000119.8
482T26Very low31.2Very low140 Ų140134.3 Ų134.386%0.85973%0.732SS**  -150.7137.5126.5-38.60000109.7
483A25.4Very low30.3Very low97 Ų97137 Ų13780%0.80274%0.741SS**  trans-116.4116.6178.600000111.2
484V25.2Very low29.2Very low137 Ų137143.6 Ų143.683%0.8378%0.775SS**  trans-140145.9161.1-177.70000108.5
485H26Very low28.2Very low178 Ų178145.3 Ų145.382%0.82478%0.778SS**  trans-61.8154.8-164.6-61.5-82000117.1
486S23.2Very low27.2Very low102 Ų102143.4 Ų143.471%0.71379%0.787SS**  trans-70.4161.4160.951.90000113
487P26.7Very low26.3Very low123 Ų123144 Ų14480%0.79981%0.807SS**  trans-113.1152.2150.635.7-28.1000112.1
488H24.9Very low25.8Very low181 Ų181141.2 Ų141.284%0.83881%0.807SS**  trans-79.8162.1176.8-71.8-103.4000112.9
489H23.8Very low25.5Very low190 Ų190136.7 Ų136.788%0.8881%0.806SS**  trans-53.8142.4154.8-76.8-83.5000111.5
490I24.3Very low25.3Very low172 Ų172137.2 Ų137.288%0.88281%0.81SS**  trans-155.8158.4143.6-110.9157.1000111.1
491I26.3Very low25.1Very low144 Ų144134.1 Ų134.174%0.73881%0.807SS**  trans-74.2146.8-170.7-67163.9000111.5
492P26.4Very low25.1Very low119 Ų119134.8 Ų134.877%0.77381%0.805SS**  trans-70138.8175.529.3-36.7000113.1
493Q23.3Very low25.2Very low186 Ų186134 Ų13487%0.86981%0.805SS**  trans-139.2143.4157.1-76.1-155.4-21.600111.3
494L26.4Very low25.3Very low153 Ų153138 Ų13880%0.80181%0.807SS**  trans-69.2152.8155.3-74.277.2000107
495D21.2Very low26.3Very low150 Ų150135.9 Ų135.980%0.80280%0.797SS**  -167.2166.362.9-139.6-22000115.4
496A24.4Very low26.2Very low91 Ų91138 Ų13875%0.75280%0.799SS**  trans50.3113.8152.300000122.3
497G22.7Very low26.4Very low69 Ų69137.6 Ų137.671%0.71180%0.802SS**  137.1128.5105.300000120.2
498S25Very low26.3Very low119 Ų119135 Ų13583%0.83280%0.798SS**  trans65.4128.7157.668.30000118.2
499A26.6Very low26.4Very low101 Ų101132 Ų13284%0.83580%0.796SS**  cis59.81335.100000116.2
500S26.8Very low26.3Very low115 Ų115131 Ų13180%0.80479%0.792SS**  cis-154.3170.39.7179.90000109.3
501C25.6Very low26.4Very low114 Ų114130.3 Ų130.377%0.7779%0.789SS**  trans-70.9134.3161.7-63.10000111
502D26.4Very low26.4Very low149 Ų149127 Ų12780%0.79778%0.784SS**  trans17.8110.2154.7-51.7-27.1000120.6
503S28.8Very low26.3Very low123 Ų123130 Ų13086%0.8679%0.792SS**  168.8145.5104.9-72.60000114.5
504E27.6Very low26.3Very low181 Ų181124.4 Ų124.485%0.84678%0.784SS**  trans-77179.9168.3-78.7-160.9142.700113.2
505P45.1Very low26.2Very low93 Ų93124.6 Ų124.660%0.60479%0.785SS**  cis-135.6175.2-46.436.8-21000112.5
506Y25.5Very low26.5Very low224 Ų224124.9 Ų124.988%0.87878%0.782SS**  177.1159.7121.8-113.7-92000112.7
507A26.6Very low26.6Very low93 Ų93127.2 Ų127.277%0.76978%0.775SS**  trans-80.7161.7176.800000112.9
508G24.5Very low26.8Very low69 Ų69131.8 Ų131.871%0.71178%0.778SS**  cis153.7-167.6-2.600000112.7
509S26.7Very low26.8Very low116 Ų116130 Ų13081%0.81178%0.778SS**  trans73.395.4157.9-560000121.7
510H22.7Very low26.8Very low170 Ų170134.1 Ų134.179%0.78778%0.78SS**  71.1140.1113.5-111.3-86000123.8
511L26.2Very low26.8Very low157 Ų157136 Ų13682%0.82278%0.779SS**  trans72.6157.5160.5-54.9175.8000117.8
512A25.5Very low27.5Very low75 Ų75135.8 Ų135.862%0.6278%0.777SS**  cis-173.6170.3-30.600000109.6
513L23.6Very low27.5Very low182 Ų182138 Ų13895%0.95378%0.78SS**  trans72145.1173.4-47.2168.2000115.4
514G23.4Very low27.3Very low68 Ų68139.4 Ų139.470%0.70177%0.774SS**  cis164.7165.9-11.600000114.6
515L25.7Very low27.3Very low158 Ų158135.7 Ų135.783%0.82777%0.769SS**  trans78.1112.2158.3-60.9168.7000122.1
516Q26.8Very low27.1Very low155 Ų155136.6 Ų136.672%0.72477%0.774SS**  97.4123.5123.7-74.9-171.918.600125
517K27.3Very low27Very low140 Ų140132 Ų13261%0.60977%0.769SS**  trans82.1112.4131.5-79.1-173.7166.7-74.10123.5
518E26.1Very low27.1Very low166 Ų166136.9 Ų136.978%0.77677%0.773SS**  49.1139.9116.4-62.5164.6-170.900122.2
519G26.1Very low27Very low81 Ų81139.4 Ų139.484%0.83578%0.78SS**  trans152.7115.4150.400000115.9
520E25Very low26.9Very low187 Ų187138.4 Ų138.487%0.87478%0.779SS**  trans-90.4159.6-174.7-68.7179122.800115.8
521I28.4Very low27.4Very low155 Ų155137 Ų13780%0.79578%0.782SS**  trans-16.1177156.632.3173000120.8
522P39.7Very low28.1Very low110 Ų110135.2 Ų135.271%0.71478%0.779SS**  cis-141.7-179.63.133.5-8.9000119.1
523F25.4Very low28.2Very low196 Ų196136.5 Ų136.586%0.8679%0.79SS**  trans28.7140.3145.9-82.9-108.7000126.9
524M25.1Very low28.4Very low152 Ų152131.5 Ų131.575%0.74978%0.783SS**  trans84.493.4141.9-68-108.680.400125.4
525S28.3Very low28.6Very low103 Ų103136 Ų13672%0.7279%0.79SS**  trans66.9176.4137.782.30000119.6
526P40Very low28.8Very low111 Ų111137.3 Ų137.372%0.72178%0.784SS**  cis-135.7175.8-9.542.8-26000117
527V23.3Very low28.9Very low128 Ų128134.6 Ų134.678%0.77678%0.775SS**  trans63.8120.1146.6168.60000124
528K28.5Very low29.1Very low195 Ų195134.8 Ų134.885%0.84878%0.777SS**  trans31.8127.7143.8-57.6179.1178.6178.90123.9
529S23.5Very low29.1Very low123 Ų123134.4 Ų134.486%0.8678%0.779SS**  trans-176.4170.4134.653.90000109.9
530A25.4Very low29Very low95 Ų95133.6 Ų133.679%0.78577%0.771SS**  cis-161.8169.2-40.200000109
531V31.5Very low29.1Very low140 Ų140129.6 Ų129.685%0.84877%0.769SS**  trans-112.7148.1-171179.30000113.2
532P40.8Very low28.9Very low119 Ų119130.2 Ų130.277%0.77377%0.769SS**  trans-137.3163.1142.238.1-25.5000113.2
533A28Very low28.4Very low102 Ų102130 Ų13084%0.84377%0.766SS**  cis-168.4157.9-22.800000109
534G27.5Very low28.4Very low78 Ų78127.7 Ų127.780%0.80476%0.762SS**  trans-164138.7175.500000113
535L28.8Very low28.7Very low163 Ų163126.1 Ų126.185%0.85377%0.766SS**  trans-116.9162.3-176-129.269.5000108.5
536R30.5Very low28.6Very low184 Ų184124.6 Ų124.669%0.69477%0.767SS**  cis-168.3166.926.4-158-177.8174.8-120.78.4112.2
537D27.4Very low28.1Very low99 Ų99123.6 Ų123.653%0.52977%0.769SS.*  trans76.2144.1155.5-64.9-41.5000120.4
538Q32.9Very low28.3Very low143 Ų143123.8 Ų123.867%0.66877%0.77SS**  cis-170.2158-35.8-130.5-172.7105.100111.7
539I25.1Very low28.7Very low159 Ų159119.3 Ų119.382%0.81576%0.763SS**  trans71.6138.9166.4-52.4148.2000115.9
540G24.6Very low29.1Very low64 Ų64121.6 Ų121.666%0.6676%0.76SS**  cis152.6138.8-12.600000114.8
541A25.6Very low29.4Very low102 Ų102125.4 Ų125.484%0.84376%0.762SS**  trans71.6153.9173.200000116.7
542Q26.2Very low29.5Very low169 Ų169126.1 Ų126.179%0.7976%0.756SS**  cis-159.9165.9-6-129.7179-10.200112.9
543T27.9Very low28.9Very low105 Ų105125 Ų12564%0.64475%0.75SS**  trans45.1114.8153.252.60000123.1
544D25.9Very low29Very low147 Ų147125.2 Ų125.279%0.78674%0.741SS**  41.9137110.6-55.4-10000123.9
545S30.3Very low29Very low119 Ų119128.3 Ų128.383%0.83274%0.739SS**  trans78.3151.6143.3-66.70000122
546G26.5Very low29.1Very low72 Ų72123.4 Ų123.474%0.74272%0.718SS**  trans110.9111.5160.600000114.9
547A30.6Very low28.9Very low90 Ų90123.3 Ų123.374%0.74472%0.719SS**  trans-102.7150.3168.700000111.1
548T27.7Very low29.5Very low132 Ų132124.4 Ų124.481%0.8172%0.724SS**  trans-165.8163.3161.126.10000108.8
549S36.4Very low29.5Very low101 Ų101120.4 Ų120.471%0.70671%0.712SS**  trans57.785.3-175.841.50000112.8
550E30.9Very low29.6Very low170 Ų170119 Ų11979%0.79471%0.706SS**  34.497.37047.4-170.4136.800111.3
551E32.4Very low30Very low176 Ų176121.7 Ų121.782%0.82271%0.713SS**  76.7135.777.7-72.8176-175.600111.1
552E33.9Very low30.2Very low155 Ų155122 Ų12272%0.72470%0.7SS**  cis-160164.66.9-135.9-169.3-167.200110.9
553C28.3Very low30.4Very low94 Ų94119.8 Ų119.864%0.63569%0.69SS**  trans63.2156.9148.2-69.60000119.5
554T29.4Very low30.6Very low107 Ų107126 Ų12666%0.65670%0.703SS**  cis-153.7136.8-13.67.40000111.5
555N28.6Very low30.9Very low144 Ų144125.6 Ų125.677%0.7770%0.697SS**  trans61.5176.5150.8-76.6-49.5000119.2
556S29.8Very low30.7Very low59 Ų59126.4 Ų126.441%0.41369%0.687SS.*  trans89136.7138.6-73.60000118.1L558 S559S556-L558 VanDerWaalsContact CA-N 3.26Å; S556-L558 PolarHBondContact OG-N 3.05Å; S556-S559 WeakPolarHBondContact CB-OG 3.46Å
557Y27.1Very low30.8Very low183 Ų183131.9 Ų131.972%0.71869%0.693SS**SBendcis44.947.9-24.1-147.2-51.3000117.3L560Y557-L560 VanDerWaalsContact CD2-O 3.32Å; Y557-L560 WeakPolarHBondContact CD2-O 3.21Å
558L39.2Very low30.9Very low121 Ų121136.4 Ų136.463%0.63470%0.696SS**SBend-88.1-18.369.6-71.4146.9000115.5S556 L560 C561S556-L558 VanDerWaalsContact CA-N 3.26Å; S556-L558 PolarHBondContact OG-N 3.05Å; L558-L560 PolarHBondContact O-N 3.21Å; L558-C561 PolarHBondContact O-N 3.43Å
559S32.7Very low31Very low60 Ų60135.9 Ų135.942%0.4269%0.693SS.*  trans-87.660.1-172.5-56.80000112.3S556S556-S559 WeakPolarHBondContact CB-OG 3.46Å
560L27.3Very low30.3Very low130 Ų130138.8 Ų138.868%0.68170%0.695SS**SBendtrans-161.383137.4-73.3-168.7000103Y557 L558Y557-L560 VanDerWaalsContact CD2-O 3.32Å; Y557-L560 WeakPolarHBondContact CD2-O 3.21Å; L558-L560 PolarHBondContact O-N 3.21Å
561C32.6Very low30.3Very low119 Ų119135.6 Ų135.680%0.80469%0.689SS**SBendcis-8492.727.9-46.80000116.3L558L558-C561 PolarHBondContact O-N 3.43Å
562N29.8Very low29.7Very low108 Ų108134.2 Ų134.258%0.57869%0.687SS**SBend-150.8152.9115.9-112.4-5.4000109.1
563E31.8Very low29.2Very low124 Ų124130.5 Ų130.558%0.57968%0.683SS**  trans53.872.8166.9-65.6178.5112.200116.3E565 Q566E563-E565 HydrophobicContact CB-CG 4.1Å; E563-Q566 PolarHBondContact OE1-NE2 3.36Å
564Y31.8Very low29Very low235 Ų235132 Ų13292%0.92268%0.684SS**SBend-65.6110.9111.1-127.7-82.4000106.2
565E31.1Very low28.8Very low138 Ų138133.8 Ų133.865%0.64569%0.685SS**  trans-62.7142.6-164.1-69.5-180102.200113.6E563E563-E565 HydrophobicContact CB-CG 4.1Å
566Q27.6Very low29Very low137 Ų137134.8 Ų134.864%0.6469%0.685SS**  trans37.6105.6134.5-56.1154.941.300117.7E563E563-Q566 PolarHBondContact OE1-NE2 3.36Å
567E29.3Very low28.8Very low186 Ų186139.8 Ų139.887%0.86970%0.702SS**  trans-111.9108.7134.6-171.1157.5-136.500108.5V569E567-V569 HydrophobicContact CG-CG2 4.12Å
568K32.1Very low29.2Very low185 Ų185136.7 Ų136.780%0.80470%0.702SS**  trans-99.194.1-179-176.6-175.7176.7178.70109.7
569V28.8Very low28.8Very low121 Ų121136.1 Ų136.173%0.73370%0.7SS**  trans-121.6101.6171178.60000109E567E567-V569 HydrophobicContact CG-CG2 4.12Å
570E21.7Very low28.7Very low163 Ų163140.3 Ų140.376%0.76271%0.713SS**  trans-70.6156.2149.3-99.2-179.2-132.200108.8
571P30.5Very low29Very low102 Ų102142.2 Ų142.266%0.66271%0.711SS**  cis-134.4-173.327.144.9-28.8000114.9
572D20.1Very low28.9Very low147 Ų147140.7 Ų140.779%0.78670%0.702SS**  13.7152.7125.7-159.619.6000119.6
573A23.1Very low28.9Very low77 Ų77142.7 Ų142.764%0.63671%0.707SS**  trans86.6137.9167.200000119.2
574L25.3Very low28.8Very low126 Ų126143.2 Ų143.266%0.6671%0.71SS**  cis-162.7-176.8-14.2-112.5170.4000107.5
575E24.8Very low28.9Very low145 Ų145139.9 Ų139.968%0.67870%0.703SS**  trans43.7123.6142.3-75.3147.8-16100119.1
576E32.3Very low28.8Very low165 Ų165140.1 Ų140.177%0.77171%0.706SS**  cis-135.1143.326.2-89.5145.7-175.100110
577E27.1Very low29Very low163 Ų163140.3 Ų140.376%0.76271%0.71SS**  64.1155.968.2-60.7-150.114500114.9
578V34.4Very low28.9Very low119 Ų119136 Ų13672%0.72170%0.7SS**  trans64.8125.7166.7-165.60000115.8
579D31Very low28.7Very low109 Ų109133.8 Ų133.858%0.58370%0.697SS**  cis-103159.36.6-86.1-63.9000111.3R581D579-R581 IonicContact OD1-NH1 2.66Å; D579-R581 PolarHBondContact OD1-NH1 3.16Å; D579-R581 VanDerWaalsContact OD1-NH1 3.13Å
580E29.6Very low28.4Very low148 Ų148136.4 Ų136.469%0.69270%0.701SS**  cis59.317049.6-95-140.4155.300113.8
581R34.4Very low28.8Very low170 Ų170133.8 Ų133.864%0.64270%0.696SS**  trans58104.5166.5-71.9-172.3-174.871.431.9116.6D579D579-R581 IonicContact OD1-NH1 2.66Å; D579-R581 PolarHBondContact OD1-NH1 3.16Å; D579-R581 VanDerWaalsContact OD1-NH1 3.13Å
582S31.5Very low28.9Very low87 Ų87133.6 Ų133.661%0.60869%0.694SS**  59.8130.778.281.80000111.4
583E28.6Very low29Very low150 Ų150133.2 Ų133.270%0.70169%0.693SS**  cis175.8-16610.6-115.6-178142.900102.7
584Q29.7Very low29Very low134 Ų134133.7 Ų133.763%0.62669%0.687SS**  trans54120.1142.9-78.8137.439.300119.9
585E33.5Very low29Very low166 Ų166132.3 Ų132.378%0.77668%0.684SS**  trans81.6131.6137.6-61.7174.3178.600116.8
586M30.1Very low28.9Very low143 Ų143129.2 Ų129.270%0.70468%0.684SS**  cis-151.5130.97.7-128.1161.256.200112.4
587L31Very low28.6Very low141 Ų141127.6 Ų127.674%0.73869%0.685SS**  trans47.7110.5139.6-60.4175.3000117.1
588S26.9Very low28.7Very low95 Ų95125 Ų12566%0.66469%0.691SS**  109.315284.1-810000111.1
589L28.8Very low28.3Very low138 Ų138124.3 Ų124.372%0.72369%0.692SS**  cis-146.7134.64.3-120.2153.9000108.9V591L589-V591 HydrophobicContact CD2-CB 3.8Å; L589-V591 HydrophobicContact CD2-CG2 4.07Å
590E22.8Very low28.1Very low177 Ų177123.7 Ų123.783%0.82770%0.697SS**  trans-72.6-149.6148.1-57.6172.193.400108.5
591V28.7Very low27.9Very low107 Ų107126.6 Ų126.665%0.64870%0.703SS**  trans75.2126.2152.8-166.40000116.7L589L589-V591 HydrophobicContact CD2-CB 3.8Å; L589-V591 HydrophobicContact CD2-CG2 4.07Å
592P33.5Very low27.5Very low98 Ų98123.3 Ų123.364%0.63671%0.706SS**  cis-146.3-176.3-28.441.3-22.2000115
593N22.5Very low27.3Very low140 Ų140130.4 Ų130.475%0.74972%0.719SS**  trans-7.8168.1133.8-52.7-36.4000121
594T22.4Very low27.1Very low86 Ų86128.1 Ų128.153%0.52872%0.72SS.*  trans81.695.7141.739.80000120.8P656T594-P656 HydrophobicContact CG2-CB 3.65Å; T594-P656 HydrophobicContact CG2-CG 3.5Å; T594-P656 VanDerWaalsContact CG2-CG 3.5Å
595T24.6Very low27Very low97 Ų97130.1 Ų130.160%0.59573%0.734SS**  40.2121.6118.263.30000118.9
596A23.8Very low26.6Very low81 Ų81130.2 Ų130.267%0.66974%0.739SS**  162177.594.600000112.5
597T25Very low26.4Very low130 Ų130129.1 Ų129.180%0.79875%0.745SS**  trans57.980.9157.335.50000116.7S599T597-S599 PolarHBondContact O-N 3.01Å
598A30.9Very low26.1Very low108 Ų108129 Ų12989%0.89375%0.746SS**  trans-47.8124.1150.900000111.9
599S25.4Very low26Very low105 Ų105130.7 Ų130.773%0.73475%0.747SS**  trans-166.3148.7147.262.40000108.8T597T597-S599 PolarHBondContact O-N 3.01Å
600S27.2Very low26Very low97 Ų97128.6 Ų128.668%0.67874%0.744SS**  cis-167.8176.4-18.8-96.20000107.6
601Y24.9Very low26.4Very low209 Ų209127.1 Ų127.182%0.8274%0.741SS**  trans69.4127.8158-77.3-73.2000120
602S25.9Very low26.5Very low101 Ų101127.1 Ų127.171%0.70675%0.745SS**  trans74.5157.9134.483.20000117.1
603R26.8Very low26.7Very low236 Ų236127.6 Ų127.689%0.89175%0.751SS**  cis-158.2172.2-12.6-127.9170.7-172.5166.80.6108.2
604S25.2Very low28.3Very low102 Ų102126.8 Ų126.871%0.71375%0.753SS**  trans-63.6166.2160.1-42.20000112
605L27.8Very low28.6Very low176 Ų176126.3 Ų126.392%0.92177%0.765SS**  trans110.3129.3161.2-58.1176.3000116.2
606L25.1Very low28.9Very low167 Ų167125.1 Ų125.187%0.87477%0.772SS**  trans-73.5146.4164.5-58.5158.4000109.7
607S25.4Very low29.7Very low120 Ų120126.5 Ų126.584%0.83978%0.778SS**  trans179.7158.9137.5-820000112.8
608N23.8Very low30.3Very low140 Ų140128.5 Ų128.575%0.74978%0.778SS**  trans-54.5173.3174.7-46.7-16.8000112.8
609D26.6Very low30.7Very low130 Ų130130.4 Ų130.470%0.69577%0.768SS**  cis-173.2152.449.7-129.1-53.5000115.2
610S28.4Very low31.4Very low93 Ų93132.1 Ų132.165%0.6577%0.768SS**  trans63.6149.6147.3-69.30000121.3
611L30.3Very low31.7Very low147 Ų147130.6 Ų130.677%0.7777%0.768SS**  cis-165.7154.3-9.3-116171.6000112.2
612S31.2Very low32.1Very low106 Ų106128.9 Ų128.974%0.74177%0.765SS**  trans67.6155.2159.774.80000119.3
613S37.9Very low32.6Very low109 Ų109132.1 Ų132.176%0.76277%0.767SS**  cis172.9169.3-27.3-90.30000107.2
614P55.3Low32.9Very low122 Ų122124.7 Ų124.779%0.79275%0.751SS**SBendcis-113150.7-6.637.6-26.3000113
615G28.4Very low33.3Very low76 Ų76126.6 Ų126.678%0.78475%0.749SS**  cis94.8121.6-2.200000114.4
616G32Very low33.6Very low72 Ų72126.6 Ų126.674%0.74274%0.742SS**  cis-139.7-122.5-1.600000111.3
617S40Very low34Very low111 Ų111123.1 Ų123.178%0.77673%0.731SS**  cis-168.5165.73.8-63.60000111.4
618Q38.3Very low34.5Very low171 Ų171122.8 Ų122.880%0.79972%0.72SS**  trans71.7129.6162.1-50.9-158.8-8900118.8
619E40.1Very low35.1Very low148 Ų148124 Ų12469%0.69272%0.719SS**  cis-174.4176.5-13.6-127.5167.7-79.200108.7
620L40.1Very low35.4Very low141 Ų141123.1 Ų123.174%0.73872%0.723SS**  cis-162.4142.64.5-155.4176.1000110.2
621G32.7Very low35.5Very low66 Ų66122.1 Ų122.168%0.6873%0.727SS**  trans95.1-178.7152.100000119.2
622F33Very low35.6Very low172 Ų172123.6 Ų123.675%0.75473%0.73SS**  cis-164.6122.8-10.6-149.8-108.7000114.4
623F36.4Very low35.6Very low169 Ų169123.2 Ų123.274%0.74172%0.724SS**  trans57.8-161.1158.5-80.8-111.2000117.7
624S33.1Very low35.3Very low81 Ų81124.4 Ų124.457%0.56672%0.721SS**  -167.8166.8-76.7-80.60000109.3
625E34.4Very low34Very low141 Ų141126.2 Ų126.266%0.65972%0.718SS**  cis-163.2-178.6-16-98.5163.676.900106
626F32.7Very low34Very low177 Ų177127.8 Ų127.878%0.77671%0.713SS**  cis-139.9-168.924.6-77.1-66000109.9
627S34.7Very low33.7Very low93 Ų93130.1 Ų130.165%0.6571%0.709SS**  cis72.3146.926-91.50000115.7
628D34.8Very low33.1Very low113 Ų113132 Ų13260%0.60471%0.705SS**  cis-168.6162.7-1.8-116.427.8000111
629K36.2Very low32.6Very low167 Ų167128.8 Ų128.873%0.72670%0.697SS**  cis-155.3-143.3-13.2-135.5-175.4-154.775.70113.1
630S33.2Very low32Very low111 Ų111131.3 Ų131.378%0.77670%0.7SS**  trans-153.5157.7-158.358.10000118.2
631G31Very low31.3Very low72 Ų72129 Ų12974%0.74270%0.696SS**  trans171.7174.8159.200000116.8
632Q32.5Very low31.1Very low177 Ų177132.4 Ų132.483%0.82769%0.694SS**  cis179.9164.9-10.2-106.2-165.5-10300109.1
633T29.9Very low30.9Very low99 Ų99127 Ų12761%0.60769%0.687SS**  cis-176.6176.6-29.529.60000110
634L31.7Very low30.5Very low133 Ų133127.1 Ų127.170%0.69669%0.69SS**  trans83.6122.2164.5-89.870.4000118.8
635E28.6Very low30.1Very low160 Ų160128.8 Ų128.875%0.74869%0.692SS**  89.1152.686.5-78.7178-165.200113.9
636T29.1Very low29.8Very low110 Ų110129.4 Ų129.468%0.67570%0.695SS**  cis-158.4158.818.8-14.70000113.6
637D25Very low29.4Very low121 Ų121125.9 Ų125.965%0.64769%0.692SS**  trans54.2129.1140.4-86.5-22.2000127.1
638Q28.3Very low28.9Very low149 Ų149127.5 Ų127.570%0.69669%0.693SS**  64.3151.7127.3-63.4178.546.900121.8
639T27.6Very low28.6Very low104 Ų104127.9 Ų127.964%0.63870%0.7SS**  cis-167.5158.1-7.424.50000111.8
640R27.3Very low29.1Very low201 Ų201129.6 Ų129.676%0.75871%0.708SS**  trans68.4156.6144.8-86.6-172.8136132.24.9118.8E642R640-E642 IonicContact CZ-OE1 3.43Å; R640-E642 IonicContact NE-OE1 2.72Å; R640-E642 PolarHBondContact NE-OE1 3.22Å; R640-E642 IonicContact NH2-OE1 3.23Å; R640-E642 PolarHBondContact NH2-OE1 3.3Å; R640-E642 IonicContact NH2-OE2 3.2Å; R640-E642 PolarHBondContact NH2-OE2 3.19Å
641S26.1Very low28.7Very low92 Ų92129.9 Ų129.964%0.64371%0.709SS**  cis-156.3172.31.7-910000106.9
642E28.2Very low29.7Very low139 Ų139131.7 Ų131.765%0.6571%0.708SS**  cis-177.2139.5-34.1-101.7156.3-85.500102.5R640R640-E642 IonicContact CZ-OE1 3.43Å; R640-E642 IonicContact NE-OE1 2.72Å; R640-E642 PolarHBondContact NE-OE1 3.22Å; R640-E642 IonicContact NH2-OE1 3.23Å; R640-E642 PolarHBondContact NH2-OE1 3.3Å; R640-E642 IonicContact NH2-OE2 3.2Å; R640-E642 PolarHBondContact NH2-OE2 3.19Å
643G27.3Very low29.3Very low59 Ų59130.6 Ų130.661%0.60871%0.707SS**  cis163.5-160.610.600000108.4
644H28.3Very low29Very low170 Ų170136 Ų13679%0.78772%0.717SS**  trans73.7133.2177.2-53.978.8000115.2
645D26.3Very low28.6Very low116 Ų116133.4 Ų133.462%0.6271%0.709SS**  cis-150.9151.80.7-105.3-16.1000114.3
646H26.4Very low29.2Very low155 Ų155129 Ų12972%0.71869%0.694SS**  trans19.2146.2138.8-62.9-52.3000121
647S24.4Very low28.8Very low102 Ų102129.6 Ų129.671%0.71370%0.698SS**  cis-177.91583.545.10000110.3
648D25Very low29.2Very low127 Ų127132.7 Ų132.768%0.67971%0.709SS**  cis-162.6151.2-8.4-113.132.8000110.8
649V28.5Very low29.2Very low121 Ų121130.1 Ų130.173%0.73371%0.705SS**  trans56.1120.1138.8-178.50000122.2
650F45.6Very low29.1Very low204 Ų204131.8 Ų131.890%0.89571%0.709SS**  trans-65.2142.8162.3-84.5-117.1000113.9
651S25.5Very low28.9Very low116 Ų116126.8 Ų126.881%0.81171%0.705SS**  trans-167.6168.4151.8-92.90000112.7
652P51.5Low29Very low111 Ų111128.7 Ų128.772%0.72171%0.707SS**  trans-113.3-140.2-150.743.5-35.2000114.1
653L25.3Very low29.1Very low154 Ų154127.7 Ų127.781%0.80671%0.706SS**  trans91.6158.2179.6-52.8156.7000113.4
654R23.3Very low29.1Very low213 Ų213131.7 Ų131.780%0.80471%0.709SS**  cis-158.9159.613.7-146.9-175.7-161.9157.43.1112.2
655S23.6Very low29Very low77 Ų77126.9 Ų126.954%0.53870%0.695SS.*  trans28.5152.8143.760.50000123.7
656P39.9Very low29.2Very low67 Ų67129 Ų12944%0.43570%0.698SS.*  trans-70.4176.7171.837.3-44.5000113.2T594T594-P656 HydrophobicContact CG2-CB 3.65Å; T594-P656 HydrophobicContact CG2-CG 3.5Å; T594-P656 VanDerWaalsContact CG2-CG 3.5Å
657T22.1Very low29.6Very low123 Ų123129.6 Ų129.676%0.75570%0.701SS**  trans154.5118.9140-68.70000110.1
658E32.9Very low29.7Very low187 Ų187130.4 Ų130.487%0.87470%0.702SS**  trans-65.2139.8155.3-79.7-164148.700108.8
659P29.2Very low30.5Very low95 Ų95129.1 Ų129.162%0.61770%0.7SS**  -148.9177.4112.935.8-18.8000113.8
660L24.3Very low30.2Very low139 Ų139130.3 Ų130.373%0.72870%0.7SS**  trans72.492.8174.4-46.6-178.2000111.4
661S23.8Very low29.3Very low96 Ų96127.4 Ų127.467%0.67169%0.689SS**  cis58.416133.3-21.30000113.4
662L27.2Very low29.4Very low131 Ų131128.7 Ų128.769%0.68668%0.68SS**  trans75.9126.4-170.7-45.6176.1000112.1
663D31Very low28.2Very low118 Ų118130 Ų13063%0.63168%0.675SS**  cis-140.3131.82.9-105.9-7.4000110.5
664Q27.3Very low28.6Very low144 Ų144131.2 Ų131.267%0.67367%0.669SS**  63.4136.382.3-77.2-163.973.700112.9
665S26.6Very low29Very low69 Ų69128.6 Ų128.648%0.48367%0.669SS.*  cis-178.7-174.81.345.40000110
666K29.3Very low29.2Very low160 Ų160131 Ų13170%0.69668%0.676SS**  trans92.3129.1146.6-73.3162.4-171.194.30117.9
667H35.2Very low28.7Very low167 Ų167131.8 Ų131.877%0.77368%0.683SS**  trans89.780.9145.8-69.9-49.7000121
668T27.3Very low29.2Very low120 Ų120134.5 Ų134.574%0.73668%0.684SS**  -45.7155.3110.248.30000113
669P41.4Very low29Very low99 Ų99133.3 Ų133.364%0.64368%0.684SS**  cis-137-173.920.538.8-19.2000114.5
670M22.6Very low29.1Very low147 Ų147133 Ų13372%0.72468%0.684SS**  trans62.6159140.5-87.3163.757.400121.7
671E26.2Very low29.3Very low142 Ų142131.6 Ų131.666%0.66469%0.692SS**  trans79.4130.1143.3-90.8178-160.300121.8
672F27.5Very low29.7Very low144 Ų144132.1 Ų132.163%0.63270%0.696SS**  trans80.6116.1139.6-81.7-54.3000122.9
673F27.1Very low29.8Very low137 Ų137133.8 Ų133.860%0.60170%0.7SS**  trans91.3122.5139-68.7-50.9000121.2
674R31.8Very low29.8Very low181 Ų181133.6 Ų133.668%0.68370%0.703SS**  trans77.5103.6133.1-72.2177.4-169.4113.37.5118.6D676R674-D676 PolarHBondContact O-N 2.84Å
675I31.7Very low29.9Very low158 Ų158132.9 Ų132.981%0.8171%0.709SS**  -34.2121.1119.5-54.4161.2000110.2
676D28.4Very low29.8Very low126 Ų126132.8 Ų132.867%0.67472%0.719SS**  trans-137.6130.1136.2-95.3-45.8000106.4R674R674-D676 PolarHBondContact O-N 2.84Å
677S30.3Very low29.9Very low84 Ų84133.2 Ų133.259%0.58773%0.728SS**  68.8115.771.5-48.70000110.8
678K32.7Very low29.4Very low181 Ų181132 Ų13279%0.78773%0.727SS**  74.889.850.9-172.3-163.9173.2-177.30112.3
679D28.6Very low29.5Very low161 Ų161133.6 Ų133.686%0.86173%0.73SS**  trans-139.4133.2139.7-81-47000105.6
680S31.7Very low28.8Very low90 Ų90132.2 Ų132.263%0.62973%0.734SS**  cis68.888.634.3-650000114.3
681A27.6Very low29Very low108 Ų108133 Ų13389%0.89374%0.736SS**  trans-82.9126.1149.900000109
682S31.8Very low29Very low107 Ų107132.8 Ų132.875%0.74874%0.735SS**  trans-90.7178.617648.20000110.5
683E30.8Very low28.9Very low166 Ų166135.1 Ų135.178%0.77674%0.739SS**  cis-161.3162.337.5-99-159.2119.800113.1
684V29.3Very low28.8Very low114 Ų114135.6 Ų135.669%0.69174%0.743SS**  trans63.7126.7140.7166.90000118.9
685T29.4Very low28.5Very low129 Ų129131.6 Ų131.679%0.79174%0.743SS**  cis-161.9142.4-0.719.20000112.3
686G25.6Very low28.1Very low68 Ų68131.2 Ų131.270%0.70174%0.738SS**  84.1118.2111.500000122.6
687L30.2Very low27.9Very low169 Ų169133.4 Ų133.489%0.88574%0.741SS**  trans82.197.2141.4-55.3179.3000121.7
688D25.5Very low27.7Very low142 Ų142137.8 Ų137.876%0.75975%0.753SS**  79.8152.6109.7-150.213.4000121.9
689L29.4Very low28.9Very low152 Ų152134.2 Ų134.280%0.79675%0.748SS**  trans65.8119.1174.7-99.470.9000120.8
690G25.9Very low29.6Very low70 Ų70131.1 Ų131.172%0.72274%0.736SS**  103.9100.8110.700000120.8
691E28.5Very low29.4Very low165 Ų165134.4 Ų134.477%0.77174%0.742SS**  trans50.1148.2138.7-58.4-166.1134.900124.4
692H26Very low29.3Very low136 Ų136137.8 Ų137.863%0.6374%0.737SS**  trans82.7108.1141.2-107.5-105.6000123.3
693W24Very low29Very low193 Ų193136.8 Ų136.873%0.73173%0.73SS**  57.3125.8129.3-75.959.8000123.2
694H24.9Very low28.9Very low147 Ų147135 Ų13568%0.68173%0.73SS**  trans72.3121.9135.2-84.327.6000122.6
695S25.2Very low29.1Very low97 Ų97134.5 Ų134.568%0.67873%0.732SS**  76.2130.8126.9-68.70000123.9
696Q25.1Very low29.2Very low151 Ų151135.3 Ų135.371%0.70673%0.731SS**  trans78.4133.4146.6-72.8-171.928.400122.6
697K23.5Very low29.4Very low171 Ų171139.9 Ų139.974%0.74374%0.739SS**  trans72.9115146.4-70.2161.4177.6152.70121
698Q26.5Very low29.2Very low177 Ų177135.5 Ų135.583%0.82774%0.735SS**  31.1163.7105.7-79.8-168.9-5.800121.7
699P57.4Low29.6Very low105 Ų105133.4 Ų133.468%0.68273%0.731SS**  cis-128.8-37.7-18.927.4-13.4000125.4
700P42.5Very low29.6Very low96 Ų96134 Ų13462%0.62373%0.73SS**  -130.3119.3-120.536-17.1000120.3
701Q28.1Very low29.9Very low159 Ų159136.7 Ų136.774%0.74373%0.732SS**  trans62.9164.8131-61.5-175.3-45.500123.2
702F25.7Very low29.9Very low179 Ų179135 Ų13579%0.78573%0.733SS**  trans76.4149.2163.3-60.6-69.7000118.5
703S25.3Very low30.3Very low87 Ų87136.9 Ų136.961%0.60874%0.742SS**  cis-173.9162.6-28.5-142.80000111
704T28.2Very low30.3Very low127 Ų127136.6 Ų136.678%0.77975%0.749SS**  trans60159.4156540000119.4
705S33.8Very low30.4Very low104 Ų104137.4 Ų137.473%0.72776%0.757SS**  cis-173.1173.4-23.2-87.60000110.4
706D32.1Very low31.7Very low146 Ų146137.6 Ų137.678%0.78176%0.756SS**  109147.4128.7-127.8-17.6000123.2
707L29.1Very low31.8Very low165 Ų165138.1 Ų138.186%0.86476%0.759SS**  trans65.5151.5167.8-51.2172.9000118.6
708G26.8Very low32.1Very low77 Ų77136.3 Ų136.379%0.79476%0.756SS**  cis160.6163.9-2.700000109.6
709S33.2Very low32.3Very low98 Ų98131.9 Ų131.969%0.68575%0.75SS**  cis-167164.3-6.8-170.80000110.9
710E30.7Very low31Very low165 Ų165137 Ų13777%0.77176%0.756SS**  trans62.4135.2162.3-75.5142.7120.600120.8
711V31.3Very low30.3Very low125 Ų125140.7 Ų140.776%0.75877%0.765SS**  83.7126.552.2173.70000111.7
712T28.1Very low30.2Very low130 Ų130138.7 Ų138.780%0.79876%0.763SS**  -159-17161.8-24.80000114.8
713E33.9Very low30.1Very low176 Ų176139.6 Ų139.682%0.82277%0.767SS**  trans-75.4177.9-174.2-46.2-178.4129.300114.7
714E24.2Very low30.1Very low187 Ų187138.8 Ų138.887%0.87477%0.772SS**  cis-150.2177.149.2-87.7-164.8117.300116.1
715L27.8Very low30.5Very low163 Ų163139.2 Ų139.285%0.85378%0.777SS**  trans-92.6-155.1175.5-126.584.7000110.7
716P51.5Low30.1Very low101 Ų101139 Ų13966%0.65678%0.775SS**  cis-137.4-167.8-3.426.50.9000115.8
717E29.2Very low29.8Very low162 Ų162138.7 Ų138.776%0.75777%0.773SS**  trans77.8143.7153.9-56.5-141.8137.600119.9
718L29Very low30Very low133 Ų133138.7 Ų138.770%0.69677%0.768SS**  cis-159.3171.8-13.5-118.7179.6000111.5
719A30Very low29.9Very low84 Ų84142.7 Ų142.769%0.69477%0.771SS**  trans75.3144164.600000118.6
720R30.2Very low29.7Very low214 Ų214147.5 Ų147.581%0.80877%0.774SS**  cis-175.4159.6-35.8-116164.199.4150.56.2108.2
721E28Very low29.4Very low172 Ų172142.7 Ų142.780%0.80477%0.769SS**  trans85.4142.3163.5-46-147.3132.300119.6
722V26.3Very low29.3Very low117 Ų117143.5 Ų143.571%0.70977%0.769SS**  cis-162.9138.7-44.5113.60000111.3
723K24.3Very low29.2Very low199 Ų199142.9 Ų142.987%0.86576%0.76SS**  trans63.2142.6166.9-71.9170.6179.9176.70119.1
724G24Very low29Very low69 Ų69139.6 Ų139.671%0.71176%0.757SS**  trans-89.2-142.1161.300000112.1
725P36.6Very low29.3Very low137 Ų137135.9 Ų135.989%0.8975%0.752SS**  cis-137.9-157.647.443.7-27.1000114.5
726S25.4Very low29.5Very low99 Ų99134.2 Ų134.269%0.69274%0.743SS**  trans-101.5168.1-179.8-167.60000113.1
727L26.6Very low28.6Very low139 Ų139137.7 Ų137.773%0.72875%0.748SS**  trans57.9135.6155.6-113.975.2000122.5
728E33.3Very low28.5Very low165 Ų165133.3 Ų133.377%0.77175%0.746SS**  trans20136.3137.4-64.1175.9153.400121.8
729L24.6Very low28.4Very low161 Ų161135.8 Ų135.884%0.84375%0.752SS**  trans-122.185.6172.2-168.571.8000113.7
730W28.3Very low28.3Very low199 Ų199137.1 Ų137.175%0.75475%0.748SS**  trans60149.6136.1-70.947.8000120.6L732W730-L732 HydrophobicContact CE3-CD2 4.06Å; W730-L732 HydrophobicContact CZ3-CD2 4.3Å
731G25.5Very low28.2Very low65 Ų65134.5 Ų134.567%0.6774%0.744SS**  cis-158.3-171.24.100000111.8
732L28.7Very low28.4Very low142 Ų142131.3 Ų131.374%0.74374%0.741SS**  cis-14415119.5-76.6163.3000113.5W730W730-L732 HydrophobicContact CE3-CD2 4.06Å; W730-L732 HydrophobicContact CZ3-CD2 4.3Å
733D25.4Very low28.8Very low116 Ų116132.2 Ų132.262%0.6275%0.747SS**  trans32.6118.5148.6-59.5-27.9000121.5
734S29.2Very low29.7Very low108 Ų108127.9 Ų127.976%0.75574%0.739SS**  178.9125.793.9-74.60000116
735S31.3Very low29.7Very low109 Ų109130.2 Ų130.276%0.76274%0.739SS**  trans54.5102141.365.50000123.7
736D31.7Very low29.4Very low127 Ų127130.8 Ų130.868%0.67973%0.733SS**  86.6112.6110-12336.4000124.5
737K32.4Very low29.5Very low174 Ų174131.7 Ų131.776%0.75774%0.739SS**  trans53134.4139.2-65.1177.8-171.176.40123.1
738G27.2Very low29.6Very low70 Ų70134.1 Ų134.172%0.72274%0.744SS**  trans167.680.5141.700000121.2
739F27.7Very low29.4Very low186 Ų186134.1 Ų134.182%0.81674%0.742SS**  trans52.8114.3144.9-78.9-98.1000123.7
740N27.2Very low29.9Very low112 Ų112134 Ų13460%0.59974%0.737SS**  78.6132.4120.6-73.533.1000126
741E28.9Very low30Very low158 Ų158128.6 Ų128.674%0.73874%0.735SS**  trans77.4117.3130.1-71.6176.7101.200124
742S31.7Very low30.2Very low105 Ų105131 Ų13173%0.73474%0.736SS**  75118.3121.6-54.90000122.7
743V34.7Very low30.4Very low137 Ų137130.5 Ų130.583%0.8374%0.739SS**  trans-46.8144.7148.8-156.80000109.1
744P42.7Very low30.8Very low107 Ų107133 Ų13370%0.69575%0.747SS**  -162.4-176.753.947-24.3000120.8
745V24.8Very low31Very low118 Ų118135.1 Ų135.172%0.71575%0.75SS**  trans52117.2136.3165.50000122.7
746I30.4Very low31Very low149 Ų149138.5 Ų138.576%0.76475%0.754SS**  trans33.2121134.6-35.9166.8000120.4
747S26.2Very low30.9Very low119 Ų119135.3 Ų135.383%0.83275%0.751SS**  -169.3173.4128.8-154.80000113.7
748F29.9Very low30.8Very low190 Ų190136.2 Ų136.283%0.83376%0.757SS**  trans-103.6160.9-173.7-66.4-110.8000113.5
749K29.7Very low32.5Very low164 Ų164138.1 Ų138.171%0.71376%0.757SS**  139.3127.3110.4-169.7163176172.40117.1
750E34.7Very low33.5Very low158 Ų158134.8 Ų134.874%0.73875%0.754SS**  trans63.5154.3159-77.6161.4-169.500119.1
751A29.4Very low33.7Very low87 Ų87136.1 Ų136.172%0.71976%0.761SS**  cis-143.2140.411.400000115.6
752V29.4Very low33.8Very low114 Ų114135.8 Ų135.869%0.69176%0.763SS**  31.6117.4128.5-172.80000121.2
753V33.4Very low33.6Very low132 Ų132137.5 Ų137.580%0.876%0.763SS**  -152.8113.9114.5-171.40000105
754E34.4Very low33.3Very low170 Ų170136.1 Ų136.179%0.79476%0.755SS**  47135.795.5-65.2177.9-178.500114.2
755D33.2Very low32.6Very low152 Ų152138.2 Ų138.281%0.81376%0.761SS**  cis-142.8171.232.4-167.315000113.9
756E31.7Very low33.2Very low180 Ų180139.8 Ų139.884%0.84176%0.764SS**  trans-60.8165.4-171.8-61.5-86.5115.300116.4
757G29.1Very low33.4Very low60 Ų60138.7 Ų138.762%0.61977%0.767SS**  cis178.5178.61.700000114.6
758H30.7Very low33.4Very low193 Ų193138.8 Ų138.889%0.89476%0.762SS**  trans-135.1-175.3-179.2-75.6-26000109.9
759P62.5Low33.3Very low109 Ų109137.1 Ų137.171%0.70876%0.76SS**  cis-103-82.9-24.112.19.9000112.6
760P49.3Very low33.1Very low117 Ų117135 Ų13576%0.7677%0.766SS**  cis-112.6-175.5-6.543.4-31.5000114.9
761D30.3Very low32.6Very low140 Ų140130.7 Ų130.775%0.74976%0.764SS**  trans-102.1-178179.8-61.8-78.4000115.6
762L31.6Very low32.3Very low150 Ų150133.2 Ų133.279%0.78577%0.771SS**  trans95.3132.1136-86.7168.5000122.2
763L28.3Very low32.1Very low141 Ų141131.7 Ų131.774%0.73877%0.77SS**  trans84.5118.4145-63.7165.1000123
764V28.2Very low31.7Very low108 Ų108131.7 Ų131.766%0.65577%0.766SS**  89.8123.3120.2168.90000121.9
765N28.3Very low31.3Very low152 Ų152132.5 Ų132.581%0.81377%0.767SS**  trans66.6136.6153.3-69.4-6000122.5
766L37.4Very low30.9Very low151 Ų151130.4 Ų130.479%0.79176%0.76SS**  trans-66.5162.5157.9-60.3164.3000110.6
767P33.8Very low30.7Very low126 Ų126129.2 Ų129.282%0.81875%0.754SS**  -134.4179.79639.3-30.5000114.2
768V25.8Very low30.5Very low120 Ų120133.7 Ų133.773%0.72776%0.759SS**  trans-111.8164.6-178.1-175.20000109.3
769I28Very low30.4Very low156 Ų156133 Ų13380%0.876%0.756SS**  trans131133.8147.7-65.6166.1000114.5
770S26.5Very low28.7Very low118 Ų118133.1 Ų133.183%0.82576%0.759SS**  trans-43.8161.3176.1-39.80000118.5
771G23.6Very low27.6Very low69 Ų69135.5 Ų135.571%0.71176%0.761SS**  trans172.881.1160.800000117.8
772T23.6Very low28.5Very low140 Ų140134.4 Ų134.486%0.85976%0.761SS**  trans13.5130.1148.649.10000122.6
773A24.3Very low28.4Very low81 Ų81132.7 Ų132.767%0.66976%0.762SS**  83.2116.4128.100000122.9
774D25.2Very low28.4Very low133 Ų133129 Ų12971%0.71176%0.758SS**  84.7143.1128.1-62.3-14.9000124.7
775F25.3Very low28.3Very low186 Ų186130.1 Ų130.182%0.81677%0.765SS**  trans72.1139.5164.3-55.7-57.1000117.8
776T26.2Very low28.1Very low109 Ų109128.2 Ų128.267%0.66976%0.762SS**  cis-157.5166.45.8-8.10000113.4
777Q26.2Very low27.6Very low154 Ų154129 Ų12972%0.7277%0.766SS**  trans78144150.1-80164.8-66.600119.2
778E25.9Very low27.1Very low154 Ų154126.4 Ų126.472%0.7276%0.762SS**  cis-146-176.23-151.6147.1-124.500114
779E27.7Very low27.1Very low179 Ų179128.1 Ų128.184%0.83677%0.766SS**  trans-70.5-179.7-167.1-44175.9124.500115.1
780S27.2Very low27Very low111 Ų111128.6 Ų128.678%0.77677%0.765SS**  cis-158.6154.71651.30000113.9
781E26.6Very low26.9Very low168 Ų168128.7 Ų128.779%0.78576%0.76SS**  trans-97.5175.6169.3-100.5-82.9137.200111.3
782P48.9Very low27Very low117 Ų117129.9 Ų129.976%0.7676%0.763SS**  -150.6130.2115.934.9-16.6000118.8
783S29.9Very low27.3Very low114 Ų114127 Ų12780%0.79775%0.754SS**  trans74.7125.2136.7-176.40000120.1
784G28.4Very low27.4Very low64 Ų64129.7 Ų129.766%0.6676%0.762SS**  cis156.9178.2-4.300000114.9
785V24.9Very low27.4Very low131 Ų131129.2 Ų129.279%0.79477%0.769SS**  trans73.198.6170.7-1690000115
786C24.2Very low27.7Very low111 Ų111129.6 Ų129.675%0.7577%0.774SS**  74.4143.772.4-66.10000114.3
787L28Very low27.7Very low168 Ų168134.4 Ų134.488%0.8879%0.785SS**  cis-162.2156.42.9-117164.9000108.9
788G24Very low27.7Very low71 Ų71132.2 Ų132.273%0.73279%0.786SS**  trans179.7143.8173.500000114.4
789L25.5Very low27.7Very low156 Ų156132.6 Ų132.682%0.81779%0.791SS**  trans-114.7164.2-168.6-131.769.8000112.7
790E24.6Very low27.7Very low166 Ų166132.1 Ų132.178%0.77679%0.789SS**  trans83.9134.1143.3-84.9-167134.200124.8
791V25.5Very low28.6Very low120 Ų120131.5 Ų131.573%0.72778%0.782SS**  92.1129.9124.61630000123.4
792A25.2Very low28.7Very low94 Ų94130 Ų13078%0.77778%0.78SS**  trans59.1151.5149.400000123.5
793A29.1Very low27.7Very low80 Ų80130.2 Ų130.266%0.66178%0.779SS**  trans-98.6171.4159.900000110.9
794T27.6Very low27.6Very low137 Ų137132.9 Ų132.984%0.8478%0.783SS**  trans68.5127.617374.60000117.2
795S25Very low27.6Very low124 Ų124138 Ų13887%0.86779%0.79SS**  -175.4140.4118.6-84.20000111.5
796Q30.8Very low27.6Very low193 Ų193138.3 Ų138.390%0.90279%0.786SS**  trans-115121.3171.7177.4-171.513.200107.9
797K27.1Very low27.7Very low210 Ų210141.2 Ų141.291%0.91379%0.788SS**  trans-154.4142.8159.9-136.1164.6-173.2171.20114.2
798C25.6Very low27.6Very low108 Ų108136.9 Ų136.973%0.7377%0.772SS**  trans-83153.9174.8-176.60000110.7
799I25.7Very low27.7Very low162 Ų162141.7 Ų141.783%0.83178%0.776SS**  -177.8146.7121.7-91.8154.9000110.7
800Q27.4Very low27.8Very low169 Ų169141.4 Ų141.479%0.7977%0.77SS**  trans-74.8-179.4177.6-119.9-173.3-18.200111.5
801P47.4Very low28.1Very low99 Ų99141.6 Ų141.664%0.64377%0.771SS**  cis-151.6-17040.544.5-21.8000118.7
802D28.6Very low28.3Very low136 Ų136141.7 Ų141.773%0.72777%0.767SS**  trans90.8106.2145.3-68.1-18.2000124.8
803V28.2Very low28.5Very low122 Ų122143.7 Ų143.774%0.73976%0.764SS**  54.5110.5125.9-167.20000120.9
804L27.3Very low28.5Very low169 Ų169148 Ų14889%0.88577%0.77SS**  -170.8165.3112-99.5176.2000112.1
805Q27.9Very low28.7Very low173 Ų173148.6 Ų148.681%0.80876%0.764SS**  trans-130.3180-177-81-170.4-23.200112.4
806L24.9Very low28.6Very low137 Ų137150.4 Ų150.472%0.71776%0.758SS**  trans96112166.7-55.4179.8000114.6
807H26Very low28.3Very low171 Ų171149.3 Ų149.379%0.79275%0.753SS**  80.6148.884.2-78.939.1000113.3
808S26.7Very low29.3Very low78 Ų78144.2 Ų144.255%0.54574%0.742SS.*  cis-169.9170.2-343.70000112.4
809Q24.8Very low29.3Very low172 Ų172145.9 Ų145.980%0.80474%0.739SS**  trans67.6169.4151.4-73.1153.8-50.800120.7
810H28.5Very low29.4Very low150 Ų150145 Ų14569%0.69473%0.731SS**  cis-174.3-172.2-42.3-160.7-103.8000109.4D812H810-D812 IonicContact CE1-OD1 3.93Å; H810-D812 PolarHBondContact CE1-OD1 3.05Å; H810-D812 IonicContact ND1-OD1 2.67Å; H810-D812 PolarHBondContact ND1-OD1 2.77Å
811E32Very low29.3Very low169 Ų169143.9 Ų143.979%0.7973%0.726SS**  trans84.9130.2156.7-69173.1-170.600119.6
812D29.6Very low28.3Very low123 Ų123145.9 Ų145.966%0.65873%0.73SS**  cis-145.5-121.5-21.5-141.469.1000114.2H810H810-D812 IonicContact CE1-OD1 3.93Å; H810-D812 PolarHBondContact CE1-OD1 3.05Å; H810-D812 IonicContact ND1-OD1 2.67Å; H810-D812 PolarHBondContact ND1-OD1 2.77Å
813L28.5Very low28.2Very low136 Ų136143.9 Ų143.971%0.71273%0.727SS**  cis-162.1176.214.4-117.9-179000113.1
814E29.3Very low28.1Very low169 Ų169142.3 Ų142.379%0.7972%0.722SS**  trans-30.4152.2170.6-72.3164.1-169.400119.9
815E32Very low28Very low151 Ų151143.4 Ų143.471%0.70672%0.719SS**  cis-154.7-159.4-11.3-139-142129.300107.2
816Q22.8Very low27.9Very low161 Ų161139.8 Ų139.875%0.75271%0.714SS**  cis-154.7176.214.8-169.3152.692.200110.6
817H23.6Very low28Very low170 Ų170139.3 Ų139.379%0.78772%0.716SS**  trans-125.6-165.4-176.5-122.4-35.5000112
818P48.3Very low28.1Very low104 Ų104135.2 Ų135.268%0.67571%0.712SS**  cis-132.1-146.910.248.2-29.1000112.8
819E26.6Very low28.1Very low143 Ų143137.2 Ų137.267%0.66873%0.726SS**  cis-155.9154-7.5-115.6-141.1116.800109.1
820Q26.6Very low28.3Very low142 Ų142132.8 Ų132.866%0.66472%0.719SS**  trans64.8146.6148.9-63.7-177.35.900122.4
821E25.5Very low28.3Very low147 Ų147131.8 Ų131.869%0.68772%0.724SS**  cis-155.7150-4.8-120.1-162.5169.800112.8
822L27.4Very low28Very low140 Ų140128.5 Ų128.573%0.73372%0.718SS**  trans47.9147.6145.6-62.4176.1000122.2
823S25.3Very low27.8Very low94 Ų94129 Ų12966%0.65772%0.721SS**  cis-162.2142.4-1.748.30000112.9
824S27.3Very low27.8Very low90 Ų90129.6 Ų129.663%0.62973%0.725SS**  37.1145.8123.2-31.20000121.4
825F25.2Very low27.6Very low191 Ų191127.1 Ų127.184%0.83873%0.726SS**  cis-139.4155.412.2-79.8-86.9000109.3
826S25.5Very low27.4Very low98 Ų98127.8 Ų127.869%0.68573%0.733SS**  55.4141.774.2-93.10000115.2
827T27Very low27.5Very low126 Ų126124.9 Ų124.977%0.77374%0.737SS**  cis-160.4153.325.9-11.10000114.6
828A27.7Very low27.5Very low85 Ų85122.3 Ų122.370%0.70274%0.737SS**  trans68.1131.5138.100000121.2
829S27.1Very low26.3Very low121 Ų121123.4 Ų123.485%0.84674%0.742SS**  80.7140.251.8-159.50000112.5
830A29.5Very low26.3Very low78 Ų78121.2 Ų121.265%0.64574%0.742SS**  cis-141.3-165.312.900000110.5
831T27Very low26.3Very low130 Ų130120.9 Ų120.980%0.79874%0.744SS**  cis-158.2174.217.7-15.40000111.5
832C26.6Very low26.3Very low100 Ų100124.2 Ų124.268%0.67675%0.751SS**  trans-66.8179.3171.153.30000113.6
833D24.8Very low26.2Very low133 Ų133124.4 Ų124.471%0.71175%0.753SS**  cis-162-175.735.7-135.9-51.8000115.6
834N27.9Very low26.1Very low149 Ų149126.9 Ų126.980%0.79776%0.759SS**  trans-72.3155.7-173.1-63.9-90.7000116.4
835S25.8Very low26.1Very low117 Ų117126.8 Ų126.882%0.81876%0.758SS**  177.6156.1121.1-171.80000113.4
836L27.8Very low26.2Very low164 Ų164125.2 Ų125.286%0.85976%0.757SS**  trans-75.7150.2164-60.978.8000111.6
837A24.9Very low26.3Very low100 Ų100124.2 Ų124.283%0.82676%0.755SS**  trans-167.1152.5133.400000110.3
838C23.5Very low26.1Very low117 Ų117128.3 Ų128.379%0.79176%0.762SS**  trans-102-175.8174.2-62.90000111.7
839T23.8Very low26Very low127 Ų127127.4 Ų127.478%0.77976%0.762SS**  trans71.599.3158.151.80000119.4
840S26.3Very low26.1Very low97 Ų97129.4 Ų129.468%0.67876%0.762SS**  110.9142.795.474.30000121.3
841L26.3Very low25.9Very low134 Ų134133.9 Ų133.970%0.70277%0.77SS**  trans89.3139.1137.7-78.8162.1000123.4
842W25.8Very low26Very low217 Ų217132.2 Ų132.282%0.82277%0.769SS**  trans75.9108.9160.7-40.9-37.9000121.8
843D24.4Very low26.1Very low145 Ų145132.7 Ų132.778%0.77577%0.772SS**  57.2159.4118-75.6-55.3000125.7
844D24.4Very low26.2Very low146 Ų146132.3 Ų132.378%0.78177%0.77SS**  trans70147.8159-82.7-30.7000119.7
845S25.9Very low26.4Very low88 Ų88132.6 Ų132.662%0.61577%0.767SS**  cis-172.9159.3-26.7-119.20000111.8
846L28.3Very low26.5Very low158 Ų158131.2 Ų131.283%0.82775%0.753SS**  trans61.7105.4151.9-64.5168.7000122.7
847A26.7Very low26.4Very low77 Ų77131.8 Ų131.864%0.63675%0.749SS**  71.4161.3112.200000124.2
848F24.5Very low26.6Very low211 Ų211133.1 Ų133.193%0.92574%0.742SS**  trans71.4144.6177.6-56.4-86.7000117
849G25.3Very low26.9Very low67 Ų67133.9 Ų133.969%0.69174%0.738SS**  cis165.6146.2-13.500000115.5
850L28.1Very low27.3Very low163 Ų163135.8 Ų135.885%0.85374%0.738SS**  trans59.5152.2147-86.5161.9000124.5
851E25.8Very low27.8Very low171 Ų171137.9 Ų137.980%0.79974%0.741SS**  trans68.7130.8164.8-66.9169177.500117.7
852A29.5Very low28.3Very low96 Ų96135.5 Ų135.579%0.79374%0.736SS**  cis87.9146.137.400000113.1
853C27.5Very low28.5Very low109 Ų109133.3 Ų133.374%0.73674%0.735SS**  cis-160.2-167.73-152.90000111.2
854D28.1Very low28.9Very low125 Ų125131.4 Ų131.467%0.66873%0.733SS**  trans74.4153.3150.3-70.17.3000119.9
855Q31.3Very low29.1Very low156 Ų156129 Ų12973%0.72973%0.727SS**  cis-168.8166.7-7.7-107.2-177.761.100106.7
856V28.7Very low29.4Very low87 Ų87131.2 Ų131.253%0.52773%0.733SS.*  cis-171.1-166.6-15.467.50000108.5
857F26.3Very low29.5Very low177 Ų177131 Ų13178%0.77673%0.727SS**  trans85.8110178.1-53.7-65000116.1
858D28.5Very low29.6Very low127 Ų127134.4 Ų134.468%0.67973%0.729SS**  cis91143.247.2-63.9-36.3000112.1
859L28.8Very low30Very low133 Ų133131 Ų13170%0.69672%0.72SS**  cis-159.2136.536.4-163.377.7000113.2
860E32.6Very low30.2Very low167 Ų167135.4 Ų135.478%0.7872%0.723SS**  trans40.1162140.1-60.4176.3159.600124.9
861D36.3Very low30.2Very low141 Ų141133.8 Ų133.875%0.75472%0.72SS**  cis-174.9148-31.2-166.133.8000109
862S37.9Very low30.2Very low85 Ų85129 Ų12959%0.59472%0.716SS**  157.3160.892.551.40000108.3
863Q29.5Very low30Very low170 Ų170130.4 Ų130.479%0.79472%0.715SS**  cis-161.4148.149.5-59.9176.9-17.900113.8
864S32.2Very low29.9Very low106 Ų106132.8 Ų132.874%0.74172%0.719SS**  trans55.9146.4145.457.60000122.8
865S30.4Very low29.8Very low94 Ų94130.6 Ų130.666%0.65771%0.714SS**  cis-177.1140.8-1050.80000113.3
866D31.3Very low29.5Very low136 Ų136131.4 Ų131.473%0.72772%0.717SS**  trans58.2152.8139.9-67.1-50.2000123.1
867H29.4Very low29.3Very low152 Ų152136.7 Ų136.770%0.70473%0.733SS**  cis-161.6137.48.9-115.28.6000113.6
868H30.8Very low29.7Very low149 Ų149134.3 Ų134.369%0.6974%0.736SS**  trans47.7129.3137.5-78.7-96.5000128.9
869L32Very low29.4Very low140 Ų140136.9 Ų136.973%0.73374%0.744SS**  trans71.6152135.7-61.8168.3000121.3
870E29.2Very low30.7Very low160 Ų160135.4 Ų135.475%0.74874%0.742SS**  cis-152.5172.31.2-144.6167-162.100114.6
871T28.6Very low30.2Very low129 Ų129133.7 Ų133.779%0.79175%0.747SS**  trans-23.2159.2173.751.20000121.7
872G26.4Very low29.9Very low70 Ų70136.2 Ų136.272%0.72276%0.757SS**  cis-176.3-165.67.900000110
873V25.1Very low29.3Very low125 Ų125137 Ų13776%0.75877%0.768SS**  cis-171.2132.329.61650000110.6
874L25.6Very low29Very low160 Ų160132 Ų13284%0.83876%0.762SS**  trans58.8157.1159-66.2171.9000120.1
875S24.8Very low28.7Very low78 Ų78134.3 Ų134.355%0.54577%0.766SS.*  cis-154.8162.7-16.8-144.20000112.3
876E24.9Very low28.5Very low173 Ų173135.5 Ų135.581%0.80877%0.77SS**  trans47.3123.7143.7-76.6158.7121.200124.7
877K25.7Very low28.2Very low198 Ų198135.6 Ų135.686%0.86177%0.771SS**  trans-59.5153.3139.7-119.2-179.6-1781780109.2
878P33.3Very low28.1Very low128 Ų128133.4 Ų133.483%0.83177%0.772SS**  -153.8-158.872.143.9-23.4000116.3
879Q23.5Very low27.8Very low181 Ų181130.6 Ų130.685%0.84678%0.775SS**  trans-94.6-153.9-164-146.9-166.5-18.300111.7
880P55.9Low28.3Very low101 Ų101129.5 Ų129.566%0.65678%0.776SS**  trans-107-171.7-137.742.4-25.2000113.9
881C21.8Very low28.1Very low132 Ų132127.5 Ų127.589%0.89278%0.775SS**  trans-174.3163.5132.7-100.70000114.4
882M29.8Very low27.9Very low193 Ų193128.9 Ų128.995%0.95178%0.776SS**  trans-92.8137.8175.2-76.1-81.8-163.900112.6
883A24.9Very low27.9Very low102 Ų102130.6 Ų130.684%0.84378%0.777SS**  trans-166.7137.414500000108.1
884G23.6Very low27.8Very low65 Ų65130.9 Ų130.967%0.6778%0.775SS**  cis113.399.21.500000112.2
885N26.6Very low27.7Very low154 Ų154129.4 Ų129.482%0.82477%0.772SS**  trans173.3140.1138.9-89.3-15.3000112.9
886T25.1Very low27.7Very low119 Ų119131.2 Ų131.273%0.7378%0.78SS**  trans21.3135.9145.559.10000119.6
887D25.8Very low27.7Very low139 Ų139129.2 Ų129.274%0.74378%0.78SS**  -163.5158.570.2-133.9-38.9000117.5
888S27.2Very low27.6Very low106 Ų106126.7 Ų126.774%0.74178%0.781SS**  trans30.8133.7150.6-65.30000124.4
889A24.6Very low27.1Very low90 Ų90124.8 Ų124.874%0.74477%0.771SS**  trans-82.3176.3159.100000111.8
890P41.8Very low27.2Very low116 Ų116123.9 Ų123.975%0.75377%0.77SS**  -153.5146.675.644-24000116.8
891V24.8Very low25.7Very low119 Ų119124.7 Ų124.772%0.72178%0.779SS**  75.4115.999.6-178.40000118.7
892L25.4Very low25.8Very low158 Ų158122.4 Ų122.483%0.82777%0.769SS**  trans59.8153.4156.2-63.5169000118.6
893S25Very low25.5Very low105 Ų105121 Ų12173%0.73476%0.762SS**  cis-153.2176.428.962.10000115.7
894D24.2Very low25.6Very low132 Ų132123.4 Ų123.471%0.70676%0.76SS**  trans-55.1157.7179.7-36.2-73.9000116.9
895T23.1Very low25.6Very low128 Ų128123.3 Ų123.379%0.78576%0.76SS**  177150.7102.127.20000117
896T25.1Very low25.5Very low117 Ų117122.2 Ų122.272%0.71876%0.759SS**  trans55.5105.5149.453.20000122.8
897T23.8Very low25.6Very low131 Ų131125 Ų12580%0.80476%0.764SS**  34.7116.4109.1-39.90000119.8
898T25.5Very low25.7Very low145 Ų145122.8 Ų122.889%0.8976%0.764SS**  trans-149.3153.9134.9-570000109.5
899S22.2Very low25.7Very low88 Ų88123.5 Ų123.562%0.61577%0.768SS**  trans-123.9143.9-168.457.40000113.6
900I24.6Very low25.6Very low161 Ų161126.1 Ų126.183%0.82678%0.775SS**  trans59.3107.5149.1-55.9159.7000117.7
901S25.4Very low25Very low119 Ų119126.5 Ų126.583%0.83278%0.775SS**  trans-154.6114136.857.90000107.8
902A23.1Very low24.9Very low83 Ų83127.3 Ų127.369%0.68677%0.774SS**  cis100.689.242.800000113.1
903M24.5Very low24.8Very low164 Ų164128.1 Ų128.181%0.80877%0.773SS**  trans79136.6145.5-55.8-165.272.600121.4
904N25.3Very low24.8Very low152 Ų152128.2 Ų128.281%0.81377%0.774SS**  trans67.7139.4160.6-54.6-12.1000117.1
905G24.1Very low25Very low64 Ų64128.7 Ų128.766%0.6678%0.776SS**  cis157.8-171.7-4.200000112.4
906T25.5Very low25.3Very low130 Ų130129.1 Ų129.180%0.79877%0.773SS**  trans70.7106.1163.2-49.50000117.9
907Q26.1Very low25.4Very low179 Ų179129.5 Ų129.584%0.83677%0.77SS**  trans22.5118.9132.5-61.7172.3-14.600119.6
908A29.1Very low26Very low91 Ų91129.8 Ų129.875%0.75277%0.766SS**SBend34.6137.1129.300000121.8
909C27.8Very low26.4Very low121 Ų121129.9 Ų129.982%0.81876%0.761SS**  trans70.275.5158.3-59.20000117.6
910T20.6Very low26.9Very low146 Ų146128 Ų12890%0.89676%0.756SS**  trans-97129.8136.140.40000109.4
911V29.8Very low27.4Very low124 Ų124130.1 Ų130.175%0.75276%0.762SS**  trans-108.2166.7169.9-168.40000107.5
912I22.8Very low27.8Very low136 Ų136129 Ų12970%0.69776%0.755SS**  trans92.3115.7164.4-54.4-176.1000116.4
913E23.5Very low28.4Very low174 Ų174130.9 Ų130.981%0.81376%0.762SS**  trans56.1128.8150-65.7161.4-170.200122.5
914S25.6Very low28.8Very low107 Ų107126.5 Ų126.575%0.74876%0.759SS**  155.4139.9121.2-75.10000111.9
915L27.5Very low29.3Very low143 Ų143125.2 Ų125.275%0.74976%0.757SS**  cis-170.1-175.1-13.2-123.5169000108.5
916L28.7Very low30.2Very low137 Ų137129.6 Ų129.672%0.71777%0.765SS**  trans75.9146.4167.2-41.4-177.8000116.3
917D28.1Very low31Very low124 Ų124133 Ų13366%0.66377%0.769SS**  cis-171.9157.4-17.6-93.8-15.5000104.8
918L36.6Very low31.7Very low137 Ų137129.1 Ų129.172%0.71777%0.768SS**  cis-163.6169.6-15.8-94.8166.8000104.3
919D34.7Very low32.4Very low148 Ų148131.8 Ų131.879%0.79178%0.775SS**  cis-151.9-162.27.2-139.4-24.8000106.2
920G31.4Very low33.2Very low49 Ų49129.9 Ų129.951%0.50578%0.776SS.*  cis163.9133.9-1.200000112.1
921E36.3Very low34.6Very low204 Ų204125 Ų12595%0.95376%0.755SS**  trans61.7144.8172.2-54.5-156.9115.700118
922S33.2Very low35.9Very low97 Ų97122.4 Ų122.468%0.67874%0.742SS**  cis-151.2139.40.859.50000113.1
923S34.7Very low37.8Very low121 Ų121120.7 Ų120.785%0.84673%0.734SS**  trans44.2127.2151.265.70000122.2
924G33.8Very low39.9Very low72 Ų72119.6 Ų119.674%0.74273%0.727SS**  trans157.945.7151.500000124.1
925V36.8Very low42.2Very low126 Ų126119.3 Ų119.376%0.76472%0.717SS**  trans52.5107.5150.7-174.10000119.9
926N42.7Very low44.4Very low156 Ų156118.4 Ų118.483%0.83471%0.707SS**  trans57142.5148.7-53.4-13.7000119.1
927K41.5Very low46.9Very low200 Ų200117.8 Ų117.887%0.8770%0.701SS**  cis-152.9158.129.8-169.4179-179.5-175.90110.3
928A40.2Very low49.2Very low99 Ų99114.2 Ų114.282%0.81868%0.683SS**  trans-67148.3-170.900000115.7
929T44.5Very low51.3Low146 Ų146111.3 Ų111.390%0.89667%0.674SS**  trans-131.1125.9162.6-51.90000106.4
930G45.1Very low53.7Low82 Ų82111.7 Ų111.785%0.84567%0.665SS**  trans-155.651.9-162.800000115.3
931G49.4Very low55.9Low44 Ų44114.1 Ų114.145%0.45467%0.665SS.*  trans-121.5-18170.700000114.6D933G931-D933 PolarHBondContact O-N 2.64Å
932S57.8Low57.8Low68 Ų68110.3 Ų110.348%0.47665%0.646SS.*Hα-helixtrans-71.4-21.1-16357.20000116.3K936S932-K936 VanDerWaalsContact O-CD 3.29Å; S932-K936 WeakPolarHBondContact O-CD 3.46Å; S932-K936 WeakPolarHBondContact O-CE 3.31Å; S932-K936 WeakPolarHBondContact O-CG 3.47Å
933D61.8Low59.9Low100 Ų100108.4 Ų108.454%0.53564%0.636SS.*Hα-helixtrans-100.9-31.6-163.8-65.93.5000112.1G931 K936 E937G931-D933 PolarHBondContact O-N 2.64Å; D933-K936 PolarHBondContact O-N 2.9Å; D933-K936 IonicContact OD1-NZ 3.64Å; D933-K936 PolarHBondContact OD1-NZ 2.79Å; D933-E937 PolarHBondContact O-N 3.48Å
934F67.9Low61.9Low151 Ų151106.3 Ų106.366%0.66261%0.613SS**Hα-helixtrans-62.3-45.8167.4-175.4-99.9000111.1K936 E937 V938F934-K936 VanDerWaalsContact C-N 3.28Å; F934-K936 PolarHBondContact O-N 2.84Å; F934-E937 PolarHBondContact O-N 2.83Å; F934-E937 VanDerWaalsContact O-N 3.16Å; F934-V938 HydrophobicContact CD1-CG2 4.05Å; F934-V938 HydrophobicContact CE1-CG2 3.7Å; F934-V938 HydrophobicContact CE2-CG2 4.26Å; F934-V938 HydrophobicContact CG-CG2 4.48Å; F934-V938 HydrophobicContact CZ-CG2 3.82Å; F934-V938 WeakPolarHBondContact O-CB 3.5Å; F934-V938 WeakPolarHBondContact O-CG2 3.16Å; F934-V938 PolarHBondContact O-N 2.97Å
935D73Confident63.4Low102 Ų102107.9 Ų107.955%0.54560%0.604SS.*Hα-helixtrans-62.7-34.5178.3-66.8-11.7000112.1S939D935-S939 VanDerWaalsContact O-CB 3.23Å; D935-S939 WeakPolarHBondContact O-CB 3.35Å; D935-S939 PolarHBondContact O-N 2.64Å; D935-S939 PolarHBondContact O-OG 2.71Å
936K74.4Confident64.8Low124 Ų124107 Ų10754%0.53959%0.594SS.*Hα-helixtrans-68.1-43.3172.6-73165.2-159.2162.90112.3S932 D933 F934 S939 R940S932-K936 VanDerWaalsContact O-CD 3.29Å; S932-K936 WeakPolarHBondContact O-CD 3.46Å; S932-K936 WeakPolarHBondContact O-CE 3.31Å; S932-K936 WeakPolarHBondContact O-CG 3.47Å; D933-K936 PolarHBondContact O-N 2.9Å; D933-K936 IonicContact OD1-NZ 3.64Å; D933-K936 PolarHBondContact OD1-NZ 2.79Å; F934-K936 VanDerWaalsContact C-N 3.28Å; F934-K936 PolarHBondContact O-N 2.84Å; K936-S939 PolarHBondContact O-N 2.6Å; K936-R940 WeakPolarHBondContact O-CB 3.44Å; K936-R940 PolarHBondContact O-N 2.78Å
937E81.6Confident65.9Low124 Ų124106.3 Ų106.358%0.57959%0.586SS**Hα-helixtrans-70.3-39.2-177.8-170.6156.1-141.500111.2D933 F934 R940 L941D933-E937 PolarHBondContact O-N 3.48Å; F934-E937 PolarHBondContact O-N 2.83Å; F934-E937 VanDerWaalsContact O-N 3.16Å; E937-R940 PolarHBondContact O-N 3.27Å; E937-L941 HydrophobicContact CG-CD1 4.49Å; E937-L941 WeakPolarHBondContact O-CB 3.48Å; E937-L941 VanDerWaalsContact O-CG 3.31Å; E937-L941 WeakPolarHBondContact O-CG 3.21Å; E937-L941 PolarHBondContact O-N 3.29Å
938V75.1Confident66.6Low48 Ų48102.3 Ų102.329%0.29157%0.574SS.*Hα-helixtrans-62-46168.5172.10000111.3F934 R940 L941 F942F934-V938 HydrophobicContact CD1-CG2 4.05Å; F934-V938 HydrophobicContact CE1-CG2 3.7Å; F934-V938 HydrophobicContact CE2-CG2 4.26Å; F934-V938 HydrophobicContact CG-CG2 4.48Å; F934-V938 HydrophobicContact CZ-CG2 3.82Å; F934-V938 WeakPolarHBondContact O-CB 3.5Å; F934-V938 WeakPolarHBondContact O-CG2 3.16Å; F934-V938 PolarHBondContact O-N 2.97Å; V938-R940 VanDerWaalsContact C-N 3.32Å; V938-R940 PolarHBondContact O-N 2.87Å; V938-L941 PolarHBondContact O-N 3.3Å; V938-F942 HydrophobicContact CG1-CD2 3.69Å; V938-F942 HydrophobicContact CG1-CE2 3.56Å; V938-F942 VanDerWaalsContact O-CD2 3.27Å; V938-F942 WeakPolarHBondContact O-CD2 3.49Å; V938-F942 PolarHBondContact O-N 3.41Å
939S80.6Confident67.1Low76 Ų76100.8 Ų100.853%0.53156%0.557SS.*Hα-helixtrans-62.9-37.3176.9-600000112.5D935 K936 A943D935-S939 VanDerWaalsContact O-CB 3.23Å; D935-S939 WeakPolarHBondContact O-CB 3.35Å; D935-S939 PolarHBondContact O-N 2.64Å; D935-S939 PolarHBondContact O-OG 2.71Å; K936-S939 PolarHBondContact O-N 2.6Å; S939-A943 WeakPolarHBondContact O-CB 3.34Å; S939-A943 PolarHBondContact O-N 3.47Å
940R86.1Confident67.5Low157 Ų15799.4 Ų99.459%0.59254%0.544SS*.Hα-helixtrans-65.2-48.4173.3179.5-170.2157.7-179.2-6110.6K936 E937 V938 F942 A943 E944K936-R940 WeakPolarHBondContact O-CB 3.44Å; K936-R940 PolarHBondContact O-N 2.78Å; E937-R940 PolarHBondContact O-N 3.27Å; V938-R940 VanDerWaalsContact C-N 3.32Å; V938-R940 PolarHBondContact O-N 2.87Å; R940-F942 VanDerWaalsContact C-N 3.27Å; R940-F942 PolarHBondContact O-N 3.37Å; R940-A943 CarbonylContact O-C 2.93Å; R940-A943 PolarHBondContact O-N 2.87Å; R940-A943 VanDerWaalsContact O-N 3.11Å; R940-E944 IonicContact CZ-OE2 3.79Å; R940-E944 VanDerWaalsContact CZ-OE2 3.24Å; R940-E944 IonicContact NE-OE2 3.9Å; R940-E944 PolarHBondContact NE-OE2 3.27Å; R940-E944 IonicContact NH2-OE1 3.38Å; R940-E944 IonicContact NH2-OE2 2.75Å; R940-E944 PolarHBondContact NH2-OE2 3.1Å; R940-E944 VanDerWaalsContact O-CB 3.29Å; R940-E944 WeakPolarHBondContact O-CB 3.43Å; R940-E944 PolarHBondContact O-N 2.91Å
941L77.7Confident67.7Low99 Ų9997.9 Ų97.952%0.51852%0.523SS..Hα-helixtrans-61.2-36.6179.8-75.5167.8000111.9E937 V938 L945E937-L941 HydrophobicContact CG-CD1 4.49Å; E937-L941 WeakPolarHBondContact O-CB 3.48Å; E937-L941 VanDerWaalsContact O-CG 3.31Å; E937-L941 WeakPolarHBondContact O-CG 3.21Å; E937-L941 PolarHBondContact O-N 3.29Å; V938-L941 PolarHBondContact O-N 3.3Å; L941-L945 VanDerWaalsContact O-CB 3.29Å; L941-L945 WeakPolarHBondContact O-CB 3.5Å; L941-L945 PolarHBondContact O-N 3.02Å
942F76.4Confident67.7Low125 Ų12599.4 Ų99.455%0.54853%0.532SS..Hα-helixtrans-67.4-43.9170.6-79.5-61.8000112.5V938 R940 E944 L945 D946V938-F942 HydrophobicContact CG1-CD2 3.69Å; V938-F942 HydrophobicContact CG1-CE2 3.56Å; V938-F942 VanDerWaalsContact O-CD2 3.27Å; V938-F942 WeakPolarHBondContact O-CD2 3.49Å; V938-F942 PolarHBondContact O-N 3.41Å; R940-F942 VanDerWaalsContact C-N 3.27Å; R940-F942 PolarHBondContact O-N 3.37Å; F942-E944 VanDerWaalsContact C-N 3.32Å; F942-E944 PolarHBondContact O-N 3.29Å; F942-L945 CarbonylContact O-C 3.59Å; F942-L945 PolarHBondContact O-N 3.39Å; F942-D946 WeakPolarHBondContact O-CB 3.43Å; F942-D946 VanDerWaalsContact O-CG 3.27Å; F942-D946 PolarHBondContact O-N 3.04Å
943A76.8Confident67.4Low56 Ų56100.7 Ų100.746%0.46354%0.537SS..Hα-helixtrans-62.8-36.7175.300000113.1S939 R940 D946 E947S939-A943 WeakPolarHBondContact O-CB 3.34Å; S939-A943 PolarHBondContact O-N 3.47Å; R940-A943 CarbonylContact O-C 2.93Å; R940-A943 PolarHBondContact O-N 2.87Å; R940-A943 VanDerWaalsContact O-N 3.11Å; A943-D946 PolarHBondContact O-N 2.67Å; A943-E947 VanDerWaalsContact O-CB 3.25Å; A943-E947 WeakPolarHBondContact O-CB 3.45Å; A943-E947 PolarHBondContact O-N 3.46Å
944E76.8Confident66.9Low77 Ų77102.4 Ų102.436%0.3654%0.542SS..Hα-helixtrans-73-32.8177.5-160.3164.8152.600110.6R940 F942 L948R940-E944 IonicContact CZ-OE2 3.79Å; R940-E944 VanDerWaalsContact CZ-OE2 3.24Å; R940-E944 IonicContact NE-OE2 3.9Å; R940-E944 PolarHBondContact NE-OE2 3.27Å; R940-E944 IonicContact NH2-OE1 3.38Å; R940-E944 IonicContact NH2-OE2 2.75Å; R940-E944 PolarHBondContact NH2-OE2 3.1Å; R940-E944 VanDerWaalsContact O-CB 3.29Å; R940-E944 WeakPolarHBondContact O-CB 3.43Å; R940-E944 PolarHBondContact O-N 2.91Å; F942-E944 VanDerWaalsContact C-N 3.32Å; F942-E944 PolarHBondContact O-N 3.29Å; E944-L948 VanDerWaalsContact O-CB 3.29Å; E944-L948 WeakPolarHBondContact O-CB 3.42Å; E944-L948 WeakPolarHBondContact O-CD1 3.18Å; E944-L948 WeakPolarHBondContact O-CG 3.32Å; E944-L948 PolarHBondContact O-N 2.84Å
945L65Low66.5Low106 Ų10696.6 Ų96.656%0.55552%0.521SS*.Hα-helixtrans-71.1-38.9168.2-93156.1000113.1L941 F942 S949L941-L945 VanDerWaalsContact O-CB 3.29Å; L941-L945 WeakPolarHBondContact O-CB 3.5Å; L941-L945 PolarHBondContact O-N 3.02Å; F942-L945 CarbonylContact O-C 3.59Å; F942-L945 PolarHBondContact O-N 3.39Å; L945-S949 WeakPolarHBondContact O-CB 3.38Å; L945-S949 PolarHBondContact O-N 3.08Å
946D65.9Low66.5Low107 Ų10794.9 Ų94.957%0.57251%0.51SS*.Hα-helixtrans-68.3-41.3176.4-74.1-25.7000110.1F942 A943 S949 L950F942-D946 WeakPolarHBondContact O-CB 3.43Å; F942-D946 VanDerWaalsContact O-CG 3.27Å; F942-D946 PolarHBondContact O-N 3.04Å; A943-D946 PolarHBondContact O-N 2.67Å; D946-S949 WeakPolarHBondContact O-CB 3.45Å; D946-S949 PolarHBondContact O-N 3.4Å; D946-L950 VanDerWaalsContact O-CB 3.31Å; D946-L950 WeakPolarHBondContact O-CB 3.32Å; D946-L950 PolarHBondContact O-N 3.44Å
947E66.6Low67.1Low142 Ų14290 Ų9066%0.66449%0.489SS*.Hα-helixtrans-64.9-43.7174.1-174.7170.7-149.200111.8A943 S949 L950 A951A943-E947 VanDerWaalsContact O-CB 3.25Å; A943-E947 WeakPolarHBondContact O-CB 3.45Å; A943-E947 PolarHBondContact O-N 3.46Å; E947-S949 VanDerWaalsContact C-N 3.34Å; E947-L950 PolarHBondContact O-N 2.93Å; E947-A951 WeakPolarHBondContact O-CB 3.43Å; E947-A951 PolarHBondContact O-N 3.44Å
948L55.5Low67.4Low115 Ų11586.5 Ų86.560%0.60248%0.478SS*.Hα-helixtrans-66.9-32.6172.8-74169.7000112.9E944 A952E944-L948 VanDerWaalsContact O-CB 3.29Å; E944-L948 WeakPolarHBondContact O-CB 3.42Å; E944-L948 WeakPolarHBondContact O-CD1 3.18Å; E944-L948 WeakPolarHBondContact O-CG 3.32Å; E944-L948 PolarHBondContact O-N 2.84Å; L948-A952 VanDerWaalsContact O-CB 3.26Å; L948-A952 WeakPolarHBondContact O-CB 3.38Å; L948-A952 PolarHBondContact O-N 2.88Å
949S51.3Low68.1Low68 Ų6886.4 Ų86.448%0.47647%0.474SS..Hα-helixtrans-68.1-42.9173.2-176.40000110.9L945 D946 E947 A952 T953L945-S949 WeakPolarHBondContact O-CB 3.38Å; L945-S949 PolarHBondContact O-N 3.08Å; D946-S949 WeakPolarHBondContact O-CB 3.45Å; D946-S949 PolarHBondContact O-N 3.4Å; E947-S949 VanDerWaalsContact C-N 3.34Å; S949-A952 PolarHBondContact O-N 3.49Å; S949-T953 WeakPolarHBondContact O-CB 3.4Å; S949-T953 PolarHBondContact O-N 2.84Å; S949-T953 PolarHBondContact O-OG1 3.01Å
950L52.6Low68.6Low116 Ų11688.4 Ų88.461%0.60748%0.475SS*.Hα-helixtrans-64.8-43.3176.4-143.9159.4000110.3D946 E947 T953 Q954D946-L950 VanDerWaalsContact O-CB 3.31Å; D946-L950 WeakPolarHBondContact O-CB 3.32Å; D946-L950 PolarHBondContact O-N 3.44Å; E947-L950 PolarHBondContact O-N 2.93Å; L950-T953 CarbonylContact O-C 3.59Å; L950-T953 WeakPolarHBondContact O-CA 3.36Å; L950-T953 WeakPolarHBondContact O-CB 3.34Å; L950-T953 PolarHBondContact O-N 3.12Å; L950-T953 VanDerWaalsContact O-N 3.16Å; L950-Q954 WeakPolarHBondContact O-CB 3.44Å; L950-Q954 PolarHBondContact O-N 2.71Å
951A48.7Very low68.8Low51 Ų5181.5 Ų81.542%0.42145%0.449SS..Hα-helixtrans-64-3917300000113.1E947 T953 Q954E947-A951 WeakPolarHBondContact O-CB 3.43Å; E947-A951 PolarHBondContact O-N 3.44Å; A951-T953 VanDerWaalsContact C-N 3.28Å; A951-T953 PolarHBondContact O-N 3.46Å; A951-Q954 WeakPolarHBondContact O-CB 2.99Å; A951-Q954 PolarHBondContact O-N 3.49Å
952A50.3Low69.6Low76 Ų7676.8 Ų76.863%0.62842%0.424SS*.Hα-helixtrans-67.7-28.9172.800000112.7L948 S949 Q954L948-A952 VanDerWaalsContact O-CB 3.26Å; L948-A952 WeakPolarHBondContact O-CB 3.38Å; L948-A952 PolarHBondContact O-N 2.88Å; S949-A952 PolarHBondContact O-N 3.49Å; A952-Q954 VanDerWaalsContact C-N 3.29Å
953T50.6Low70.5Confident94 Ų9473 Ų7358%0.57741%0.407SS*.Hα-helixtrans-74-22.5170.4-49.40000111.6S949 L950 A951 A955 H956S949-T953 WeakPolarHBondContact O-CB 3.4Å; S949-T953 PolarHBondContact O-N 2.84Å; S949-T953 PolarHBondContact O-OG1 3.01Å; L950-T953 CarbonylContact O-C 3.59Å; L950-T953 WeakPolarHBondContact O-CA 3.36Å; L950-T953 WeakPolarHBondContact O-CB 3.34Å; L950-T953 PolarHBondContact O-N 3.12Å; L950-T953 VanDerWaalsContact O-N 3.16Å; A951-T953 VanDerWaalsContact C-N 3.28Å; A951-T953 PolarHBondContact O-N 3.46Å; T953-A955 VanDerWaalsContact C-N 3.31Å; T953-A955 PolarHBondContact O-N 3.22Å; T953-H956 PolarHBondContact O-NE2 3.5Å
954Q52.1Low71.3Confident137 Ų13773 Ų7364%0.6440%0.402SS*.THydrogen-bonded Turntrans-83.3-1.3-174.1-155.5165.433.600114.3L950 A951 A952 H956L950-Q954 WeakPolarHBondContact O-CB 3.44Å; L950-Q954 PolarHBondContact O-N 2.71Å; A951-Q954 WeakPolarHBondContact O-CB 2.99Å; A951-Q954 PolarHBondContact O-N 3.49Å; A952-Q954 VanDerWaalsContact C-N 3.29Å; Q954-H956 PolarHBondContact O-N 2.98Å
955A60.6Low72.2Confident28 Ų2869.6 Ų69.623%0.23139%0.386CS..  trans-71.770.7169.800000110.8L462 T953L462-A955 HydrophobicContact CD2-CB 4.02Å; L462-A955 WeakPolarHBondContact CD2-O 3.33Å; T953-A955 VanDerWaalsContact C-N 3.31Å; T953-A955 PolarHBondContact O-N 3.22Å
956H72.6Confident73.7Confident66 Ų6664.6 Ų64.631%0.30636%0.36SS..PPolyproline II helixtrans-90.6155.3172.8-67.3-65.8000111.5T953 Q954T953-H956 PolarHBondContact O-NE2 3.5Å; Q954-H956 PolarHBondContact O-N 2.98Å
957I85.7Confident75.2Confident21 Ų2160.7 Ų60.711%0.10834%0.34CS..PPolyproline II helixtrans-75.2126.9167.2-50.7175.9000107.1I458 F471 E959 F961 V962 W965 L1050I458-I957 HydrophobicContact CB-CD1 4.46Å; I458-I957 HydrophobicContact CD1-CD1 3.64Å; I458-I957 HydrophobicContact CG1-CD1 3.83Å; I458-I957 HydrophobicContact CG2-CD1 3.77Å; I458-I957 HydrophobicContact CG2-CG1 4.31Å; F471-I957 HydrophobicContact CE2-CG2 4.42Å; F471-I957 HydrophobicContact CZ-CG2 4.42Å; I957-E959 PolarHBondContact O-N 2.84Å; I957-F961 HydrophobicContact CG2-CB 4.12Å; I957-V962 HydrophobicContact CB-CG2 4.11Å; I957-V962 HydrophobicContact CG2-CG2 3.76Å; I957-W965 HydrophobicContact CD1-CZ3 4.34Å; I957-W965 HydrophobicContact CG2-CH2 4.14Å; I957-W965 HydrophobicContact CG2-CZ3 3.94Å; I957-L1050 HydrophobicContact CD1-CD2 4.04Å
958P88.4Confident76.6Confident52 Ų5254.8 Ų54.834%0.33831%0.312SS..PPolyproline II helixtrans-63.7134.3177.8-18.130000110.6F471 E960 F961F471-P958 HydrophobicContact CD2-CG 4.37Å; P958-E960 PolarHBondContact O-N 2.95Å; P958-F961 HydrophobicContact CB-CD2 3.85Å; P958-F961 HydrophobicContact CB-CE2 4.11Å; P958-F961 HydrophobicContact CG-CD2 3.91Å; P958-F961 HydrophobicContact CG-CE2 3.91Å; P958-F961 PolarHBondContact O-N 3.41Å
959E90.6Very high78.6Confident45 Ų4549.3 Ų49.321%0.2128%0.284CS..Hα-helixtrans-54.6-29.2-171.4-167.3-174.6112.600113.2I957 F961 V962 R963 L1051 S1077 F1111I957-E959 PolarHBondContact O-N 2.84Å; E959-F961 VanDerWaalsContact C-N 3.33Å; E959-F961 PolarHBondContact O-N 3.19Å; E959-V962 PolarHBondContact O-N 3.41Å; E959-R963 WeakPolarHBondContact O-CB 3.38Å; E959-R963 PolarHBondContact O-N 3.07Å; E959-R963 IonicContact OE1-CZ 3.07Å; E959-R963 IonicContact OE1-NH2 2.6Å; E959-R963 PolarHBondContact OE1-NH2 3.11Å; E959-L1051 HydrophobicContact CG-CD2 3.89Å; E959-S1077 PolarHBondContact OE1-OG 2.97Å; E959-S1077 VanDerWaalsContact OE2-CB 3.24Å; E959-S1077 WeakPolarHBondContact OE2-CB 3.42Å; E959-S1077 PolarHBondContact OE2-OG 3.44Å; E959-F1111 HydrophobicContact CG-CE2 3.64Å; E959-F1111 HydrophobicContact CG-CZ 4.25Å; E959-F1111 WeakPolarHBondContact OE1-CE2 3.39Å
960E89.8Confident80.7Confident118 Ų11846.1 Ų46.155%0.55126%0.261SS*.Hα-helixtrans-59.6-38.3177.3-55.1-170.5151.100113.3P958 C964P958-E960 PolarHBondContact O-N 2.95Å; E960-C964 PolarHBondContact O-N 3.29Å; E960-C964 PolarHBondContact O-SG 3.47Å
961F91.1Very high82.8Confident13 Ų1342.6 Ų42.66%0.05725%0.245CC..Hα-helixtrans-69.6-43.7175.1-65.7-89.8000111.1F471 I473 I476 I957 P958 E959 R963 C964 W965F471-F961 HydrophobicContact CB-CE2 4.4Å; F471-F961 HydrophobicContact CB-CZ 4.06Å; F471-F961 AromaticContact CD1-CD1 3.99Å; F471-F961 HydrophobicContact CD1-CD1 3.99Å; F471-F961 HydrophobicContact CD1-CD2 4.43Å; F471-F961 AromaticContact CD1-CE1 3.31Å; F471-F961 HydrophobicContact CD1-CE1 3.31Å; F471-F961 AromaticContact CD1-CE2 3.85Å; F471-F961 HydrophobicContact CD1-CE2 3.85Å; F471-F961 AromaticContact CD1-CZ 3.24Å; F471-F961 HydrophobicContact CD1-CZ 3.24Å; F471-F961 HydrophobicContact CD2-CE2 4.16Å; F471-F961 HydrophobicContact CD2-CZ 4.34Å; F471-F961 AromaticContact CE1-CD1 3.53Å; F471-F961 HydrophobicContact CE1-CD1 3.53Å; F471-F961 HydrophobicContact CE1-CD2 4.23Å; F471-F961 AromaticContact CE1-CE1 3.35Å; F471-F961 HydrophobicContact CE1-CE1 3.35Å; F471-F961 HydrophobicContact CE1-CE2 4.11Å; F471-F961 AromaticContact CE1-CG 3.97Å; F471-F961 HydrophobicContact CE1-CG 3.97Å; F471-F961 AromaticContact CE1-CZ 3.68Å; F471-F961 HydrophobicContact CE1-CZ 3.68Å; F471-F961 HydrophobicContact CE2-CD2 4.39Å; F471-F961 HydrophobicContact CE2-CE2 4.42Å; F471-F961 HydrophobicContact CG-CE1 4.17Å; F471-F961 AromaticContact CG-CE2 3.89Å; F471-F961 HydrophobicContact CG-CE2 3.89Å; F471-F961 AromaticContact CG-CZ 3.64Å; F471-F961 HydrophobicContact CG-CZ 3.64Å; F471-F961 HydrophobicContact CZ-CD1 4.09Å; F471-F961 HydrophobicContact CZ-CD2 4.22Å; F471-F961 HydrophobicContact CZ-CE1 4.24Å; F471-F961 HydrophobicContact CZ-CE2 4.39Å; F471-F961 HydrophobicContact CZ-CG 4.07Å; F471-F961 HydrophobicContact CZ-CZ 4.4Å; I473-F961 HydrophobicContact CB-CE1 4.19Å; I473-F961 HydrophobicContact CD1-CD1 4.09Å; I473-F961 HydrophobicContact CD1-CE1 4.2Å; I473-F961 HydrophobicContact CG1-CE1 4.4Å; I476-F961 HydrophobicContact CB-CE1 4.07Å; I476-F961 HydrophobicContact CB-CZ 4.22Å; I476-F961 HydrophobicContact CD1-CD1 3.56Å; I476-F961 HydrophobicContact CD1-CE1 3.51Å; I476-F961 HydrophobicContact CD1-CG 4.19Å; I476-F961 HydrophobicContact CD1-CZ 4.1Å; I476-F961 HydrophobicContact CG1-CD1 4.01Å; I476-F961 HydrophobicContact CG1-CE1 3.5Å; I476-F961 HydrophobicContact CG1-CZ 4.13Å; I476-F961 HydrophobicContact CG2-CE1 4.32Å; I476-F961 HydrophobicContact CG2-CZ 4.05Å; I957-F961 HydrophobicContact CG2-CB 4.12Å; P958-F961 HydrophobicContact CB-CD2 3.85Å; P958-F961 HydrophobicContact CB-CE2 4.11Å; P958-F961 HydrophobicContact CG-CD2 3.91Å; P958-F961 HydrophobicContact CG-CE2 3.91Å; P958-F961 PolarHBondContact O-N 3.41Å; E959-F961 VanDerWaalsContact C-N 3.33Å; E959-F961 PolarHBondContact O-N 3.19Å; F961-R963 VanDerWaalsContact C-N 3.29Å; F961-R963 PolarHBondContact O-N 2.86Å; F961-C964 PolarHBondContact O-N 2.9Å; F961-W965 HydrophobicContact CB-CH2 4.05Å; F961-W965 HydrophobicContact CB-CZ2 4.19Å; F961-W965 HydrophobicContact CB-CZ3 4.28Å; F961-W965 PolarHBondContact O-N 2.85Å
962V94.5Very high85Confident0 Ų040.2 Ų40.20%023%0.225CC..Hα-helixtrans-62.2-39.9177.4-174.30000110.6I957 E959 W965 A966 L1047 L1050 L1051I957-V962 HydrophobicContact CB-CG2 4.11Å; I957-V962 HydrophobicContact CG2-CG2 3.76Å; E959-V962 PolarHBondContact O-N 3.41Å; V962-W965 PolarHBondContact O-N 2.8Å; V962-A966 WeakPolarHBondContact O-CB 3.1Å; V962-A966 PolarHBondContact O-N 3.08Å; V962-L1047 HydrophobicContact CG1-CD2 3.89Å; V962-L1050 HydrophobicContact CG1-CB 3.76Å; V962-L1050 HydrophobicContact CG1-CD1 4.23Å; V962-L1050 HydrophobicContact CG2-CB 4.1Å; V962-L1051 HydrophobicContact CB-CD2 4.13Å; V962-L1051 HydrophobicContact CG1-CD2 3.93Å; V962-L1051 HydrophobicContact CG1-CG 4.05Å; V962-L1051 HydrophobicContact CG2-CD2 4.32Å
963R94.9Very high87.2Confident46 Ų4636.6 Ų36.617%0.17420%0.195CC..Hα-helixtrans-63.3-43.4174-168.3-174.3-58121.12.8111.9E959 F961 A966 V967 F1111 F1112 V1115E959-R963 WeakPolarHBondContact O-CB 3.38Å; E959-R963 PolarHBondContact O-N 3.07Å; E959-R963 IonicContact OE1-CZ 3.07Å; E959-R963 IonicContact OE1-NH2 2.6Å; E959-R963 PolarHBondContact OE1-NH2 3.11Å; F961-R963 VanDerWaalsContact C-N 3.29Å; F961-R963 PolarHBondContact O-N 2.86Å; R963-A966 PolarHBondContact O-N 3.44Å; R963-V967 VanDerWaalsContact O-CG2 3.32Å; R963-V967 WeakPolarHBondContact O-CG2 3.44Å; R963-V967 PolarHBondContact O-N 3.29Å; R963-F1111 HydrophobicContact CB-CE1 3.93Å; R963-F1111 HydrophobicContact CB-CZ 3.85Å; R963-F1111 WeakPolarHBondContact CD-O 3.27Å; R963-F1111 HydrophobicContact CG-CD1 4.22Å; R963-F1111 HydrophobicContact CG-CE1 3.78Å; R963-F1111 HydrophobicContact CG-CZ 4.13Å; R963-F1111 PolarHBondContact NE-O 3.1Å; R963-F1112 HydrophobicContact CG-CD1 4.23Å; R963-V1115 HydrophobicContact CG-CG2 4.49Å
964C93.6Very high89.3Confident54 Ų5433.2 Ų33.237%0.36517%0.173SC..Hα-helixtrans-59.7-52.2175.1-680000111.3E960 F961 A966 V967 E968E960-C964 PolarHBondContact O-N 3.29Å; E960-C964 PolarHBondContact O-SG 3.47Å; F961-C964 PolarHBondContact O-N 2.9Å; C964-A966 VanDerWaalsContact C-N 3.3Å; C964-A966 PolarHBondContact O-N 3.48Å; C964-V967 PolarHBondContact O-N 2.86Å; C964-E968 WeakPolarHBondContact O-CG 3.24Å; C964-E968 PolarHBondContact O-N 3.49Å
965W95.6Very high91.4Very high7 Ų728.1 Ų28.13%0.02715%0.152CC..Hα-helixtrans-61.8-37.2177.6-59.5-32.8000112.2L454 I458 I473 I957 F961 V962 V967 E968 I969 V999 L1050L454-W965 HydrophobicContact CD1-CD2 4.05Å; L454-W965 HydrophobicContact CD1-CE3 4.02Å; L454-W965 HydrophobicContact CD1-CH2 3.65Å; L454-W965 HydrophobicContact CD1-CZ2 3.64Å; L454-W965 HydrophobicContact CD1-CZ3 3.83Å; L454-W965 HydrophobicContact CD2-CD2 4.08Å; L454-W965 HydrophobicContact CD2-CE3 3.91Å; L454-W965 HydrophobicContact CD2-CG 4.49Å; L454-W965 HydrophobicContact CD2-CZ3 4.36Å; I458-W965 HydrophobicContact CD1-CZ3 4.29Å; I458-W965 HydrophobicContact CG1-CH2 4.41Å; I473-W965 HydrophobicContact CD1-CZ2 4.04Å; I957-W965 HydrophobicContact CD1-CZ3 4.34Å; I957-W965 HydrophobicContact CG2-CH2 4.14Å; I957-W965 HydrophobicContact CG2-CZ3 3.94Å; F961-W965 HydrophobicContact CB-CH2 4.05Å; F961-W965 HydrophobicContact CB-CZ2 4.19Å; F961-W965 HydrophobicContact CB-CZ3 4.28Å; F961-W965 PolarHBondContact O-N 2.85Å; V962-W965 PolarHBondContact O-N 2.8Å; W965-V967 PolarHBondContact O-N 3.05Å; W965-E968 PolarHBondContact O-N 3.25Å; W965-I969 WeakPolarHBondContact O-CD1 3.42Å; W965-I969 WeakPolarHBondContact O-CG1 3.28Å; W965-I969 PolarHBondContact O-N 2.59Å; W965-V999 HydrophobicContact CB-CG2 3.74Å; W965-V999 HydrophobicContact CG-CG2 3.9Å; W965-L1050 HydrophobicContact CE3-CD1 4.46Å; W965-L1050 HydrophobicContact CZ3-CD2 4.49Å
966A96.9Very high93Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-61.4-42175.800000112.5V962 R963 C964 I969 V970 L1047 F1111 F1112V962-A966 WeakPolarHBondContact O-CB 3.1Å; V962-A966 PolarHBondContact O-N 3.08Å; R963-A966 PolarHBondContact O-N 3.44Å; C964-A966 VanDerWaalsContact C-N 3.3Å; C964-A966 PolarHBondContact O-N 3.48Å; A966-I969 PolarHBondContact O-N 3.07Å; A966-V970 WeakPolarHBondContact O-CB 3.47Å; A966-V970 VanDerWaalsContact O-CG2 3.24Å; A966-V970 WeakPolarHBondContact O-CG2 3.1Å; A966-V970 PolarHBondContact O-N 2.98Å; A966-L1047 HydrophobicContact CB-CD1 4.24Å; A966-L1047 HydrophobicContact CB-CD2 3.68Å; A966-F1111 HydrophobicContact CB-CE1 4.35Å; A966-F1112 HydrophobicContact CB-CE1 3.76Å; A966-F1112 HydrophobicContact CB-CZ 3.97Å
967V96.6Very high94Very high26 Ų2625.3 Ų25.316%0.15814%0.135CC..Hα-helixtrans-60.9-44.6175.6168.80000111.2R963 C964 W965 V970 T971 F1112 V1115 W1117R963-V967 VanDerWaalsContact O-CG2 3.32Å; R963-V967 WeakPolarHBondContact O-CG2 3.44Å; R963-V967 PolarHBondContact O-N 3.29Å; C964-V967 PolarHBondContact O-N 2.86Å; W965-V967 PolarHBondContact O-N 3.05Å; V967-V970 PolarHBondContact O-N 3.43Å; V967-T971 WeakPolarHBondContact O-CB 3.4Å; V967-T971 PolarHBondContact O-N 3Å; V967-T971 PolarHBondContact O-OG1 3.36Å; V967-F1112 HydrophobicContact CG2-CD1 3.69Å; V967-F1112 HydrophobicContact CG2-CE1 3.89Å; V967-V1115 HydrophobicContact CB-CG1 4.44Å; V967-V1115 HydrophobicContact CG1-CG1 3.88Å; V967-V1115 HydrophobicContact CG2-CB 4.23Å; V967-V1115 HydrophobicContact CG2-CG1 3.63Å; V967-V1115 HydrophobicContact CG2-CG2 3.6Å; V967-W1117 HydrophobicContact CB-CH2 4.18Å; V967-W1117 HydrophobicContact CB-CZ3 4.29Å; V967-W1117 HydrophobicContact CG1-CE3 4.11Å; V967-W1117 HydrophobicContact CG1-CH2 4.12Å; V967-W1117 HydrophobicContact CG1-CZ3 3.78Å; V967-W1117 HydrophobicContact CG2-CH2 3.93Å; V967-W1117 HydrophobicContact CG2-CZ2 4.12Å; V967-W1117 HydrophobicContact CG2-CZ3 4.43Å
968E96.1Very high94.3Very high18 Ų1831.3 Ų31.38%0.08416%0.162CC..Hα-helixtrans-65.3-42.7179.7-63.1179.5143.900111.6H428 C964 W965 T971 A972 H998 V999H428-E968 HydrophobicContact CB-CB 4.27Å; H428-E968 IonicContact CE1-OE1 3.41Å; H428-E968 IonicContact ND1-OE1 2.64Å; C964-E968 WeakPolarHBondContact O-CG 3.24Å; C964-E968 PolarHBondContact O-N 3.49Å; W965-E968 PolarHBondContact O-N 3.25Å; E968-T971 PolarHBondContact O-N 2.32Å; E968-A972 PolarHBondContact O-N 3.03Å; E968-H998 WeakPolarHBondContact OE1-CB 3.49Å; E968-H998 IonicContact OE1-CE1 3.11Å; E968-H998 IonicContact OE1-CG 2.67Å; E968-H998 IonicContact OE1-ND1 2.63Å; E968-H998 PolarHBondContact OE1-ND1 3.49Å; E968-V999 HydrophobicContact CB-CB 3.9Å; E968-V999 HydrophobicContact CB-CG2 4.39Å; E968-V999 WeakPolarHBondContact OE2-CB 3.37Å; E968-V999 WeakPolarHBondContact OE2-CG2 3.33Å; E968-V999 PolarHBondContact OE2-N 3.08Å
969I97.3Very high94.5Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-65.6-46.8175.9-63.1162.1000111.1W965 A966 T971 A972 L973 L986 I991 V999 L1001 L1043W965-I969 WeakPolarHBondContact O-CD1 3.42Å; W965-I969 WeakPolarHBondContact O-CG1 3.28Å; W965-I969 PolarHBondContact O-N 2.59Å; A966-I969 PolarHBondContact O-N 3.07Å; I969-T971 VanDerWaalsContact C-N 3.29Å; I969-T971 PolarHBondContact O-N 2.93Å; I969-A972 PolarHBondContact O-N 3.45Å; I969-L973 HydrophobicContact CG2-CD1 3.91Å; I969-L973 HydrophobicContact CG2-CG 4.29Å; I969-L973 WeakPolarHBondContact O-CG 3.33Å; I969-L973 PolarHBondContact O-N 3.03Å; I969-L986 HydrophobicContact CG2-CD2 4.33Å; I969-I991 HydrophobicContact CD1-CD1 3.78Å; I969-I991 HydrophobicContact CD1-CG1 4.44Å; I969-V999 HydrophobicContact CG1-CG1 3.92Å; I969-V999 HydrophobicContact CG1-CG2 4.42Å; I969-L1001 HydrophobicContact CG1-CD2 4.3Å; I969-L1043 HydrophobicContact CB-CD1 4.3Å; I969-L1043 HydrophobicContact CG2-CD1 3.84Å
970V96.9Very high94.4Very high0 Ų033.7 Ų33.70%018%0.183CC..Hα-helixtrans-59.5-41.7177.51680000110.9A966 V967 L973 D974 W1040 L1043 V1103 I1106 K1107 F1112 W1117A966-V970 WeakPolarHBondContact O-CB 3.47Å; A966-V970 VanDerWaalsContact O-CG2 3.24Å; A966-V970 WeakPolarHBondContact O-CG2 3.1Å; A966-V970 PolarHBondContact O-N 2.98Å; V967-V970 PolarHBondContact O-N 3.43Å; V970-L973 PolarHBondContact O-N 3.21Å; V970-D974 WeakPolarHBondContact O-CB 3.44Å; V970-D974 PolarHBondContact O-N 2.88Å; V970-W1040 HydrophobicContact CG1-CH2 4.48Å; V970-W1040 HydrophobicContact CG1-CZ3 4.44Å; V970-W1040 HydrophobicContact CG2-CZ3 4.25Å; V970-L1043 HydrophobicContact CG2-CD2 3.5Å; V970-V1103 HydrophobicContact CG1-CG2 3.87Å; V970-I1106 HydrophobicContact CG1-CG2 4.48Å; V970-I1106 HydrophobicContact CG2-CG2 4.16Å; V970-K1107 HydrophobicContact CG1-CG 4.38Å; V970-F1112 HydrophobicContact CG2-CZ 4.49Å; V970-W1117 HydrophobicContact CB-CH2 3.96Å; V970-W1117 HydrophobicContact CB-CZ3 4.14Å; V970-W1117 HydrophobicContact CG1-CH2 3.7Å; V970-W1117 HydrophobicContact CG1-CZ3 3.82Å
971T95.8Very high94.5Very high43 Ų4328.4 Ų28.426%0.26416%0.158SC..Hα-helixtrans-66.5-37.3178.9-53.80000112.1P427 V967 E968 I969 C975P427-T971 HydrophobicContact CG-CG2 3.86Å; V967-T971 WeakPolarHBondContact O-CB 3.4Å; V967-T971 PolarHBondContact O-N 3Å; V967-T971 PolarHBondContact O-OG1 3.36Å; E968-T971 PolarHBondContact O-N 2.32Å; I969-T971 VanDerWaalsContact C-N 3.29Å; I969-T971 PolarHBondContact O-N 2.93Å; T971-C975 PolarHBondContact O-N 3.42Å
972A95.8Very high94.5Very high0 Ų029.7 Ų29.70%017%0.165CC..Hα-helixtrans-68.5-44.3174.300000112.5V426 P427 H428 E968 I969 C975 L976 L1001V426-A972 HydrophobicContact CG1-CB 4.28Å; P427-A972 VanDerWaalsContact O-CB 3.29Å; P427-A972 WeakPolarHBondContact O-CB 3.18Å; H428-A972 HydrophobicContact CB-CB 4.25Å; E968-A972 PolarHBondContact O-N 3.03Å; I969-A972 PolarHBondContact O-N 3.45Å; A972-C975 PolarHBondContact O-N 3.21Å; A972-L976 WeakPolarHBondContact O-CG 3.29Å; A972-L976 PolarHBondContact O-N 3.31Å; A972-L1001 HydrophobicContact CB-CD1 3.6Å; A972-L1001 HydrophobicContact CB-CG 4.25Å
973L96.3Very high94.2Very high0 Ų030.1 Ų30.10%017%0.169CC..Hα-helixtrans-64-44.3178.9-72175.7000112I969 V970 C975 L976 H977 C983 L986 D1039 W1040I969-L973 HydrophobicContact CG2-CD1 3.91Å; I969-L973 HydrophobicContact CG2-CG 4.29Å; I969-L973 WeakPolarHBondContact O-CG 3.33Å; I969-L973 PolarHBondContact O-N 3.03Å; V970-L973 PolarHBondContact O-N 3.21Å; L973-C975 VanDerWaalsContact C-N 3.33Å; L973-C975 PolarHBondContact O-N 3.41Å; L973-L976 PolarHBondContact O-N 2.69Å; L973-L976 VanDerWaalsContact O-N 3.17Å; L973-H977 WeakPolarHBondContact O-CB 3.28Å; L973-H977 PolarHBondContact O-CD2 2.97Å; L973-H977 PolarHBondContact O-N 2.92Å; L973-C983 HydrophobicContact CD2-CB 4.47Å; L973-L986 HydrophobicContact CD1-CD2 3.89Å; L973-L986 HydrophobicContact CD2-CD2 4.2Å; L973-D1039 HydrophobicContact CD1-CB 4.39Å; L973-D1039 HydrophobicContact CD2-CB 4.08Å; L973-W1040 HydrophobicContact CB-CH2 3.68Å; L973-W1040 HydrophobicContact CB-CZ3 3.74Å; L973-W1040 HydrophobicContact CD1-CE3 3.96Å; L973-W1040 HydrophobicContact CD1-CH2 4.37Å; L973-W1040 HydrophobicContact CD1-CZ3 3.59Å; L973-W1040 HydrophobicContact CG-CZ3 4.33Å
974D94.9Very high93.9Very high23 Ų2330.3 Ų30.312%0.12317%0.169CC..Hα-helixtrans-53.3-49.8174.4-172.310.5000111.5V970 L976 H977 Q978 V1103 K1107V970-D974 WeakPolarHBondContact O-CB 3.44Å; V970-D974 PolarHBondContact O-N 2.88Å; D974-L976 PolarHBondContact O-N 2.77Å; D974-H977 PolarHBondContact O-N 3.47Å; D974-Q978 VanDerWaalsContact CG-NE2 3.28Å; D974-Q978 WeakPolarHBondContact O-CB 3.38Å; D974-Q978 VanDerWaalsContact O-CG 3.28Å; D974-Q978 WeakPolarHBondContact O-CG 3.42Å; D974-Q978 PolarHBondContact O-N 3.03Å; D974-Q978 PolarHBondContact OD1-NE2 2.9Å; D974-V1103 HydrophobicContact CB-CG2 4.13Å; D974-K1107 WeakPolarHBondContact OD2-CE 3.36Å; D974-K1107 IonicContact OD2-NZ 3.71Å; D974-K1107 PolarHBondContact OD2-NZ 2.64Å
975C94.8Very high93.5Very high30 Ų3029 Ų2920%0.20316%0.159CC..Hα-helixtrans-65.2-36.5179.4-168.70000112.9V426 P427 T971 A972 L973 E979V426-C975 HydrophobicContact CG1-CB 4.3Å; V426-C975 HydrophobicContact CG2-CB 4.26Å; P427-C975 HydrophobicContact CG-CB 4.37Å; T971-C975 PolarHBondContact O-N 3.42Å; A972-C975 PolarHBondContact O-N 3.21Å; L973-C975 VanDerWaalsContact C-N 3.33Å; L973-C975 PolarHBondContact O-N 3.41Å; C975-E979 PolarHBondContact O-N 2.85Å; C975-E979 VanDerWaalsContact O-N 3.1Å
976L94.3Very high93.4Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-67-43.2173.5-74.7163.9000112P423 V426 M429 A972 L973 D974 Q978 E979 G980 I981 F1004P423-L976 HydrophobicContact CB-CD2 4.49Å; P423-L976 HydrophobicContact CG-CD2 4.06Å; V426-L976 HydrophobicContact CG1-CD1 4.39Å; V426-L976 HydrophobicContact CG1-CD2 4.47Å; V426-L976 HydrophobicContact CG1-CG 4.01Å; V426-L976 HydrophobicContact CG2-CD2 3.87Å; V426-L976 HydrophobicContact CG2-CG 4.03Å; M429-L976 HydrophobicContact CE-CD2 4.24Å; M429-L976 HydrophobicContact SD-CD1 4.09Å; M429-L976 HydrophobicContact SD-CD2 4.05Å; A972-L976 WeakPolarHBondContact O-CG 3.29Å; A972-L976 PolarHBondContact O-N 3.31Å; L973-L976 PolarHBondContact O-N 2.69Å; L973-L976 VanDerWaalsContact O-N 3.17Å; D974-L976 PolarHBondContact O-N 2.77Å; L976-Q978 VanDerWaalsContact C-N 3.34Å; L976-Q978 PolarHBondContact O-N 3.36Å; L976-E979 PolarHBondContact O-N 2.96Å; L976-G980 PolarHBondContact O-N 3.49Å; L976-G980 VanDerWaalsContact O-N 3.13Å; L976-I981 CarbonylContact C-O 3.59Å; L976-I981 HydrophobicContact CB-CB 4.39Å; L976-I981 HydrophobicContact CD2-CB 4.21Å; L976-I981 HydrophobicContact CD2-CD1 3.94Å; L976-I981 HydrophobicContact CD2-CG2 4.16Å; L976-I981 PolarHBondContact O-N 2.92Å; L976-F1004 HydrophobicContact CD1-CB 4.34Å; L976-F1004 HydrophobicContact CD1-CD2 4.11Å; L976-F1004 HydrophobicContact CD2-CB 4.23Å
977H93.6Very high93.2Very high36 Ų3629 Ų2917%0.16716%0.159CC..Hα-helixtrans-63.2-39.6177.1-66.9179.1000111.3L973 D974 G980 I981 P1036 D1039 W1040L973-H977 WeakPolarHBondContact O-CB 3.28Å; L973-H977 PolarHBondContact O-CD2 2.97Å; L973-H977 PolarHBondContact O-N 2.92Å; D974-H977 PolarHBondContact O-N 3.47Å; H977-G980 WeakPolarHBondContact O-CA 3.31Å; H977-G980 PolarHBondContact O-N 3.03Å; H977-I981 PolarHBondContact CD2-O 2.94Å; H977-P1036 PolarHBondContact CE1-O 2.84Å; H977-D1039 IonicContact CD2-OD2 3.59Å; H977-D1039 IonicContact CE1-OD2 2.71Å; H977-D1039 IonicContact NE2-OD2 3.14Å; H977-D1039 PolarHBondContact NE2-OD2 3.24Å; H977-W1040 AromaticContact CE1-CE2 3.71Å; H977-W1040 AromaticContact CE1-CZ2 3.59Å; H977-W1040 AromaticContact ND1-CE2 3.88Å; H977-W1040 AromaticContact ND1-CZ2 3.46Å; H977-W1040 WeakPolarHBondContact ND1-CZ2 3.44Å
978Q92.7Very high93Very high146 Ų14628.4 Ų28.468%0.68216%0.156SC*.Hα-helixtrans-65.2-37174-71.6177.238.500113.3D974 L976 G980D974-Q978 VanDerWaalsContact CG-NE2 3.28Å; D974-Q978 WeakPolarHBondContact O-CB 3.38Å; D974-Q978 VanDerWaalsContact O-CG 3.28Å; D974-Q978 WeakPolarHBondContact O-CG 3.42Å; D974-Q978 PolarHBondContact O-N 3.03Å; D974-Q978 PolarHBondContact OD1-NE2 2.9Å; L976-Q978 VanDerWaalsContact C-N 3.34Å; L976-Q978 PolarHBondContact O-N 3.36Å; Q978-G980 PolarHBondContact O-N 2.72Å
979E91.8Very high92.6Very high95 Ų9530.8 Ų30.844%0.44417%0.169SC..Hα-helixtrans-71.9-9.5171.2-77.2-70.6143.900113.1I421 C975 L976 I981I421-E979 HydrophobicContact CG2-CB 4.47Å; C975-E979 PolarHBondContact O-N 2.85Å; C975-E979 VanDerWaalsContact O-N 3.1Å; L976-E979 PolarHBondContact O-N 2.96Å; E979-I981 HydrophobicContact CB-CD1 4.37Å
980G89.4Confident92.4Very high53 Ų5331.6 Ų31.655%0.54617%0.174SC..THydrogen-bonded Turntrans85.826.2179.700000114.3L976 H977 Q978L976-G980 PolarHBondContact O-N 3.49Å; L976-G980 VanDerWaalsContact O-N 3.13Å; H977-G980 WeakPolarHBondContact O-CA 3.31Å; H977-G980 PolarHBondContact O-N 3.03Å; Q978-G980 PolarHBondContact O-N 2.72Å
981I91.1Very high92.3Very high6 Ų631.6 Ų31.63%0.03117%0.174CC..  trans-107134.4177.2-61.5163.9000108.7I421 P423 L976 H977 E979 F1004I421-I981 HydrophobicContact CB-CD1 4.29Å; I421-I981 HydrophobicContact CB-CG1 4.2Å; I421-I981 HydrophobicContact CG2-CD1 3.77Å; I421-I981 HydrophobicContact CG2-CG1 3.96Å; P423-I981 HydrophobicContact CB-CD1 4.16Å; P423-I981 HydrophobicContact CG-CD1 3.6Å; L976-I981 CarbonylContact C-O 3.59Å; L976-I981 HydrophobicContact CB-CB 4.39Å; L976-I981 HydrophobicContact CD2-CB 4.21Å; L976-I981 HydrophobicContact CD2-CD1 3.94Å; L976-I981 HydrophobicContact CD2-CG2 4.16Å; L976-I981 PolarHBondContact O-N 2.92Å; H977-I981 PolarHBondContact CD2-O 2.94Å; E979-I981 HydrophobicContact CB-CD1 4.37Å; I981-F1004 HydrophobicContact CG2-CB 4.37Å
982I91.2Very high92.2Very high40 Ų4031.1 Ų31.121%0.20517%0.169CC..  trans-112.9131.3170.5-57.4171.7000106.3R984 P1036 C1038 D1039I982-R984 HydrophobicContact CB-CG 4.36Å; I982-R984 HydrophobicContact CG2-CG 3.88Å; I982-P1036 HydrophobicContact CD1-CG 4.15Å; I982-P1036 HydrophobicContact CG1-CG 4.16Å; I982-C1038 WeakPolarHBondContact CG2-SG 3.22Å; I982-D1039 WeakPolarHBondContact CG2-OD2 3.49Å
983C89.8Confident92.1Very high10 Ų1031.2 Ų31.27%0.06817%0.17CC..  trans-72.2-43.7-173.1-67.80000112.5L973 D985 L986 F1004 D1039L973-C983 HydrophobicContact CD2-CB 4.47Å; C983-D985 PolarHBondContact O-N 3Å; C983-L986 HydrophobicContact CB-CB 4.25Å; C983-F1004 HydrophobicContact CB-CD1 3.88Å; C983-F1004 HydrophobicContact CB-CE1 3.64Å; C983-F1004 HydrophobicContact CB-CE2 4.38Å; C983-F1004 HydrophobicContact CB-CG 4.36Å; C983-F1004 HydrophobicContact CB-CZ 3.91Å; C983-D1039 WeakPolarHBondContact CA-OD1 3.46Å; C983-D1039 VanDerWaalsContact CB-OD1 3.31Å; C983-D1039 WeakPolarHBondContact CB-OD1 3.49Å; C983-D1039 PolarHBondContact N-OD1 3.35Å; C983-D1039 PolarHBondContact N-OD2 3.01Å
984R87.6Confident91.8Very high49 Ų4932.4 Ų32.419%0.18518%0.176CC..SBendtrans65.5-35.7178.2-50.4166.2179.6-129-24115.3I982 E1012 C1024 E1034 D1039I982-R984 HydrophobicContact CB-CG 4.36Å; I982-R984 HydrophobicContact CG2-CG 3.88Å; R984-E1012 IonicContact CZ-OE2 3.01Å; R984-E1012 IonicContact NE-OE2 3.99Å; R984-E1012 IonicContact NH1-OE2 3.12Å; R984-E1012 PolarHBondContact NH1-OE2 2.93Å; R984-C1024 PolarHBondContact O-SG 2.97Å; R984-E1034 IonicContact CZ-OE2 2.94Å; R984-E1034 IonicContact NE-OE2 3.81Å; R984-E1034 IonicContact NH1-OE2 3.31Å; R984-E1034 PolarHBondContact NH1-OE2 3.35Å; R984-E1034 IonicContact NH2-OE2 3.48Å; R984-E1034 PolarHBondContact NH2-OE2 2.8Å; R984-E1034 VanDerWaalsContact NH2-OE2 3.12Å; R984-D1039 PolarHBondContact N-OD1 3.32Å
985D86Confident91.3Very high28 Ų2837.3 Ų37.315%0.1520%0.198CC..  trans-12461178.2-172.522.7000109.7C983 N987 N990 C1014 D1015 A1018C983-D985 PolarHBondContact O-N 3Å; D985-N987 PolarHBondContact OD1-ND2 2.88Å; D985-N990 PolarHBondContact O-ND2 2.99Å; D985-N990 PolarHBondContact O-OD1 3.12Å; D985-C1014 HydrophobicContact CB-CB 4.18Å; D985-D1015 PolarHBondContact OD2-N 3.35Å; D985-A1018 WeakPolarHBondContact OD1-CB 3.48Å
986L93.3Very high90.9Very high1 Ų140.2 Ų40.21%0.00521%0.208CC..  trans-92.4103168-18077.1000108.4I969 L973 C983 N990 L1001 F1004 S1042 I1046I969-L986 HydrophobicContact CG2-CD2 4.33Å; L973-L986 HydrophobicContact CD1-CD2 3.89Å; L973-L986 HydrophobicContact CD2-CD2 4.2Å; C983-L986 HydrophobicContact CB-CB 4.25Å; L986-N990 HydrophobicContact CD1-CB 4.39Å; L986-L1001 HydrophobicContact CD1-CD1 4.25Å; L986-L1001 HydrophobicContact CD1-CD2 4.04Å; L986-F1004 HydrophobicContact CD1-CE2 4.29Å; L986-F1004 HydrophobicContact CD1-CZ 4.19Å; L986-S1042 WeakPolarHBondContact O-CB 3.31Å; L986-I1046 HydrophobicContact CD2-CD1 4.15Å; L986-I1046 HydrophobicContact CG-CD1 3.91Å
987N92.4Very high90.5Very high4 Ų440.9 Ų40.92%0.02122%0.216CC..  trans-135.2173.9-178.277.866.7000111.1D985 N989 N990 A1018 Y1023D985-N987 PolarHBondContact OD1-ND2 2.88Å; N987-N989 PolarHBondContact O-N 2.96Å; N987-N989 WeakPolarHBondContact OD1-CB 3.38Å; N987-N989 PolarHBondContact OD1-N 3.26Å; N987-N989 PolarHBondContact OD1-ND2 3.11Å; N987-N990 PolarHBondContact N-OD1 2.87Å; N987-N990 PolarHBondContact ND2-OD1 2.82Å; N987-N990 VanDerWaalsContact ND2-OD1 3.08Å; N987-N990 WeakPolarHBondContact O-CB 3.44Å; N987-N990 PolarHBondContact O-N 3.18Å; N987-N990 PolarHBondContact O-OD1 3.37Å; N987-N990 VanDerWaalsContact O-OD1 3.1Å; N987-N990 PolarHBondContact OD1-OD1 3.24Å; N987-A1018 HydrophobicContact CB-CB 3.75Å; N987-Y1023 HydrophobicContact CB-CD2 4.03Å; N987-Y1023 HydrophobicContact CB-CG 4.13Å
988P91.3Very high90.4Very high15 Ų1541.2 Ų41.210%0.09722%0.217CC..THydrogen-bonded Turntrans-51.6-23.3179.8-34.640.4000116.6W455 N990 Y1023W455-P988 HydrophobicContact CD2-CB 3.69Å; W455-P988 HydrophobicContact CD2-CG 4.42Å; W455-P988 HydrophobicContact CE3-CB 3.83Å; W455-P988 HydrophobicContact CG-CB 4.3Å; W455-P988 HydrophobicContact CH2-CB 3.94Å; W455-P988 HydrophobicContact CH2-CG 3.99Å; W455-P988 HydrophobicContact CZ2-CB 3.77Å; W455-P988 HydrophobicContact CZ2-CG 3.61Å; W455-P988 HydrophobicContact CZ3-CB 3.97Å; P988-N990 VanDerWaalsContact C-N 3.32Å; P988-Y1023 HydrophobicContact CG-CD1 4.35Å; P988-Y1023 HydrophobicContact CG-CD2 4.49Å; P988-Y1023 HydrophobicContact CG-CE1 3.8Å; P988-Y1023 HydrophobicContact CG-CE2 3.93Å
989N88.9Confident90.6Very high67 Ų6734.4 Ų34.436%0.35819%0.185SC..THydrogen-bonded Turntrans-76.1-19.8176.2-62.3-75.8000113.5K453 N987K453-N989 PolarHBondContact NZ-OD1 3.15Å; N987-N989 PolarHBondContact O-N 2.96Å; N987-N989 WeakPolarHBondContact OD1-CB 3.38Å; N987-N989 PolarHBondContact OD1-N 3.26Å; N987-N989 PolarHBondContact OD1-ND2 3.11Å
990N92.5Very high90.7Very high18 Ų1831.6 Ų31.610%0.09617%0.172CC..THydrogen-bonded Turntrans-85.4-15.6-178.8-55.385.4000112.9D985 L986 N987 P988 L1001 T1002 F1004D985-N990 PolarHBondContact O-ND2 2.99Å; D985-N990 PolarHBondContact O-OD1 3.12Å; L986-N990 HydrophobicContact CD1-CB 4.39Å; N987-N990 PolarHBondContact N-OD1 2.87Å; N987-N990 PolarHBondContact ND2-OD1 2.82Å; N987-N990 VanDerWaalsContact ND2-OD1 3.08Å; N987-N990 WeakPolarHBondContact O-CB 3.44Å; N987-N990 PolarHBondContact O-N 3.18Å; N987-N990 PolarHBondContact O-OD1 3.37Å; N987-N990 VanDerWaalsContact O-OD1 3.1Å; N987-N990 PolarHBondContact OD1-OD1 3.24Å; P988-N990 VanDerWaalsContact C-N 3.32Å; N990-L1001 CarbonylContact O-C 3.3Å; N990-L1001 VanDerWaalsContact O-CA 3.32Å; N990-L1001 WeakPolarHBondContact O-CA 3.35Å; N990-T1002 WeakPolarHBondContact CA-OG1 3.38Å; N990-T1002 HydrophobicContact CB-CG2 4.49Å; N990-T1002 WeakPolarHBondContact CB-OG1 2.97Å; N990-T1002 PolarHBondContact ND2-OG1 3.08Å; N990-T1002 VanDerWaalsContact ND2-OG1 3.07Å; N990-T1002 PolarHBondContact O-N 3.02Å; N990-F1004 HydrophobicContact CB-CZ 4.19Å
991I94.8Very high91Very high0 Ų029 Ų290%015%0.146CC..EExtended strand (participates in β ladder)trans-97.3102.5-175.9-60.1168.9000109.5L454 W455 I969 V999 L1001 I1046L454-I991 HydrophobicContact CB-CG2 3.8Å; L454-I991 HydrophobicContact CD2-CG2 3.68Å; L454-I991 HydrophobicContact CG-CG2 4.39Å; L454-I991 PolarHBondContact N-O 3.23Å; W455-I991 HydrophobicContact CH2-CD1 3.99Å; W455-I991 HydrophobicContact CZ3-CB 4.01Å; W455-I991 HydrophobicContact CZ3-CD1 3.8Å; W455-I991 HydrophobicContact CZ3-CG1 4.43Å; W455-I991 HydrophobicContact CZ3-CG2 4.36Å; I969-I991 HydrophobicContact CD1-CD1 3.78Å; I969-I991 HydrophobicContact CD1-CG1 4.44Å; I991-V999 HydrophobicContact CG2-CG1 4.07Å; I991-V999 HydrophobicContact CG2-CG2 4.19Å; I991-L1001 HydrophobicContact CG1-CD2 3.77Å; I991-I1046 HydrophobicContact CD1-CD1 3.81Å; I991-I1046 HydrophobicContact CD1-CG1 4.27Å; I991-I1046 HydrophobicContact CD1-CG2 3.86Å
992L94.3Very high91Very high32 Ų3230.2 Ų30.217%0.16815%0.154CC..EExtended strand (participates in β ladder)trans-97.9165.2172.6-44.6179.6000110.3V430 A449 G452 K453 V999 Q1000 T1002V430-L992 HydrophobicContact CG2-CD1 4.03Å; A449-L992 HydrophobicContact CB-CB 4.02Å; A449-L992 HydrophobicContact CB-CD1 3.86Å; G452-L992 CarbonylContact O-C 3.59Å; G452-L992 WeakPolarHBondContact O-CA 3.36Å; G452-L992 WeakPolarHBondContact O-CB 3.49Å; K453-L992 HydrophobicContact CG-CD2 3.92Å; L992-V999 WeakPolarHBondContact O-CA 3.38Å; L992-Q1000 VanDerWaalsContact CB-O 3.23Å; L992-Q1000 WeakPolarHBondContact CB-O 3.37Å; L992-Q1000 PolarHBondContact N-O 3.04Å; L992-Q1000 PolarHBondContact O-N 3.29Å; L992-T1002 HydrophobicContact CD1-CG2 4.25Å; L992-T1002 HydrophobicContact CG-CG2 4.31Å
993L93.1Very high91.1Very high3 Ų328.4 Ų28.42%0.01614%0.144CC..EExtended strand (participates in β ladder)trans-112.6147.6167.9-64.3-179.3000110.4G451 G452 L454 H457 H998 V999G451-L993 WeakPolarHBondContact CA-O 3.22Å; G451-L993 PolarHBondContact N-O 3.08Å; G451-L993 VanDerWaalsContact N-O 3.08Å; G452-L993 PolarHBondContact O-N 3.45Å; L454-L993 HydrophobicContact CB-CD2 4.41Å; L454-L993 HydrophobicContact CB-CG 4.2Å; L454-L993 HydrophobicContact CD1-CD1 3.96Å; L454-L993 HydrophobicContact CD1-CD2 4.18Å; L454-L993 HydrophobicContact CD1-CG 4.29Å; H457-L993 HydrophobicContact CB-CD1 3.97Å; L993-H998 WeakPolarHBondContact CA-O 3.29Å; L993-V999 HydrophobicContact CD2-CG2 4.42Å
994D89.6Confident91.1Very high25 Ų2528.9 Ų28.913%0.13415%0.146CC..  trans-79.4-168.8168.492-36.1000111.8G451 Q996 G997 H998G451-D994 VanDerWaalsContact CA-O 3.3Å; G451-D994 WeakPolarHBondContact CA-O 3.26Å; G451-D994 PolarHBondContact N-O 2.77Å; D994-Q996 VanDerWaalsContact C-N 3.26Å; D994-Q996 PolarHBondContact O-N 2.78Å; D994-Q996 WeakPolarHBondContact OD1-CA 3.49Å; D994-Q996 PolarHBondContact OD1-N 3.18Å; D994-G997 PolarHBondContact OD1-N 3.11Å; D994-H998 PolarHBondContact N-O 3.23Å; D994-H998 PolarHBondContact OD1-N 3.46Å
995H86Confident91.1Very high125 Ų12527.9 Ų27.958%0.57915%0.145SC*.SBendtrans-77.9-5.1179.165.9-76000114.2E450E450-H995 HydrophobicContact CB-CB 4.37Å
996Q84.6Confident91.1Very high91 Ų9127.3 Ų27.343%0.42514%0.144SC..SBendtrans-110.6-22-177.3-53-175.515.900112.2D994D994-Q996 VanDerWaalsContact C-N 3.26Å; D994-Q996 PolarHBondContact O-N 2.78Å; D994-Q996 WeakPolarHBondContact OD1-CA 3.49Å; D994-Q996 PolarHBondContact OD1-N 3.18Å
997G86.8Confident90.6Very high15 Ų1528.3 Ų28.316%0.15515%0.148CC..SBendtrans111.29.8-179.800000114.4D994D994-G997 PolarHBondContact OD1-N 3.11Å
998H92.4Very high89.9Confident42 Ų4229.8 Ų29.819%0.19416%0.158CC..  trans-83147.5176.1-66.3-67.7000111.4E968 L993 D994E968-H998 WeakPolarHBondContact OE1-CB 3.49Å; E968-H998 IonicContact OE1-CE1 3.11Å; E968-H998 IonicContact OE1-CG 2.67Å; E968-H998 IonicContact OE1-ND1 2.63Å; E968-H998 PolarHBondContact OE1-ND1 3.49Å; L993-H998 WeakPolarHBondContact CA-O 3.29Å; D994-H998 PolarHBondContact N-O 3.23Å; D994-H998 PolarHBondContact OD1-N 3.46Å
999V95.3Very high89Confident3 Ų332.4 Ų32.42%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-65.2137.4175.2170.70000111.4H428 W965 E968 I969 I991 L992 L993 L1001H428-V999 WeakPolarHBondContact CB-O 3.39Å; H428-V999 PolarHBondContact ND1-O 2.88Å; W965-V999 HydrophobicContact CB-CG2 3.74Å; W965-V999 HydrophobicContact CG-CG2 3.9Å; E968-V999 HydrophobicContact CB-CB 3.9Å; E968-V999 HydrophobicContact CB-CG2 4.39Å; E968-V999 WeakPolarHBondContact OE2-CB 3.37Å; E968-V999 WeakPolarHBondContact OE2-CG2 3.33Å; E968-V999 PolarHBondContact OE2-N 3.08Å; I969-V999 HydrophobicContact CG1-CG1 3.92Å; I969-V999 HydrophobicContact CG1-CG2 4.42Å; I991-V999 HydrophobicContact CG2-CG1 4.07Å; I991-V999 HydrophobicContact CG2-CG2 4.19Å; L992-V999 WeakPolarHBondContact O-CA 3.38Å; L993-V999 HydrophobicContact CD2-CG2 4.42Å; V999-L1001 HydrophobicContact CG1-CD2 4.02Å; V999-L1001 HydrophobicContact CG1-CG 4.32Å
1000Q94.4Very high88.4Confident36 Ų3629.9 Ų29.917%0.16816%0.158CC..EExtended strand (participates in β ladder)trans-135.892.4172.3-165.6177.3-36.400109.3H428 V430 L992H428-Q1000 CarbonylContact O-C 3.6Å; H428-Q1000 WeakPolarHBondContact O-CA 3.45Å; V430-Q1000 HydrophobicContact CB-CG 4.46Å; V430-Q1000 HydrophobicContact CG2-CG 3.82Å; L992-Q1000 VanDerWaalsContact CB-O 3.23Å; L992-Q1000 WeakPolarHBondContact CB-O 3.37Å; L992-Q1000 PolarHBondContact N-O 3.04Å; L992-Q1000 PolarHBondContact O-N 3.29Å
1001L95.2Very high87.2Confident0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-57.3142.4177.1-65.9-170.4000111.8H428 M429 V430 I969 A972 L986 N990 I991 V999 F1004H428-L1001 PolarHBondContact O-N 2.93Å; M429-L1001 CarbonylContact C-O 3.6Å; M429-L1001 WeakPolarHBondContact CA-O 3.4Å; M429-L1001 HydrophobicContact CB-CB 4.38Å; M429-L1001 HydrophobicContact CG-CB 4.27Å; M429-L1001 VanDerWaalsContact CG-O 3.32Å; M429-L1001 WeakPolarHBondContact CG-O 3.43Å; V430-L1001 WeakPolarHBondContact CG2-O 3.26Å; V430-L1001 PolarHBondContact N-O 3.36Å; I969-L1001 HydrophobicContact CG1-CD2 4.3Å; A972-L1001 HydrophobicContact CB-CD1 3.6Å; A972-L1001 HydrophobicContact CB-CG 4.25Å; L986-L1001 HydrophobicContact CD1-CD1 4.25Å; L986-L1001 HydrophobicContact CD1-CD2 4.04Å; N990-L1001 CarbonylContact O-C 3.3Å; N990-L1001 VanDerWaalsContact O-CA 3.32Å; N990-L1001 WeakPolarHBondContact O-CA 3.35Å; I991-L1001 HydrophobicContact CG1-CD2 3.77Å; V999-L1001 HydrophobicContact CG1-CD2 4.02Å; V999-L1001 HydrophobicContact CG1-CG 4.32Å; L1001-F1004 HydrophobicContact CB-CE2 4.46Å
1002T92.4Very high86Confident31 Ų3136.1 Ų36.119%0.1919%0.186CC..PPolyproline II helixtrans-57.5146.3169.953.80000111.3N990 L992 F1004N990-T1002 WeakPolarHBondContact CA-OG1 3.38Å; N990-T1002 HydrophobicContact CB-CG2 4.49Å; N990-T1002 WeakPolarHBondContact CB-OG1 2.97Å; N990-T1002 PolarHBondContact ND2-OG1 3.08Å; N990-T1002 VanDerWaalsContact ND2-OG1 3.07Å; N990-T1002 PolarHBondContact O-N 3.02Å; L992-T1002 HydrophobicContact CD1-CG2 4.25Å; L992-T1002 HydrophobicContact CG-CG2 4.31Å; T1002-F1004 WeakPolarHBondContact O-CD2 3.45Å; T1002-F1004 VanDerWaalsContact O-CE2 3.31Å; T1002-F1004 WeakPolarHBondContact O-CE2 3.33Å; T1002-F1004 PolarHBondContact O-N 3.41Å
1003Y91.8Very high84.8Confident1 Ų136 Ų360%0.00419%0.188CC..PPolyproline II helixtrans-62120-177.6-173.6-93.4000113.5M422 P423 M429 V430 L432 L444 L446 C1005M422-Y1003 WeakPolarHBondContact CA-OH 3.46Å; M422-Y1003 HydrophobicContact CE-CE1 3.95Å; M422-Y1003 WeakPolarHBondContact CE-OH 3.2Å; P423-Y1003 WeakPolarHBondContact CD-OH 3.35Å; P423-Y1003 HydrophobicContact CG-CE2 4.24Å; P423-Y1003 VanDerWaalsContact O-CE2 3.31Å; P423-Y1003 WeakPolarHBondContact O-CE2 3.01Å; M429-Y1003 HydrophobicContact CE-CD2 3.68Å; M429-Y1003 HydrophobicContact CE-CE2 3.9Å; V430-Y1003 WeakPolarHBondContact O-CD2 3.23Å; L432-Y1003 HydrophobicContact CB-CD2 4.01Å; L432-Y1003 HydrophobicContact CB-CE2 3.53Å; L432-Y1003 HydrophobicContact CD2-CE1 4.39Å; L432-Y1003 HydrophobicContact CD2-CE2 4.33Å; L432-Y1003 WeakPolarHBondContact CD2-OH 3.46Å; L432-Y1003 HydrophobicContact CG-CE2 4.47Å; L444-Y1003 HydrophobicContact CD1-CD1 3.62Å; L444-Y1003 HydrophobicContact CD1-CE1 3.76Å; L446-Y1003 HydrophobicContact CD2-CD1 4.04Å; L446-Y1003 HydrophobicContact CD2-CD2 4.04Å; L446-Y1003 HydrophobicContact CD2-CG 3.6Å; Y1003-C1005 HydrophobicContact CD1-CB 4.36Å; Y1003-C1005 HydrophobicContact CE1-CB 3.58Å
1004F90.8Very high83.8Confident21 Ų2136.8 Ų36.89%0.09219%0.194CC..PPolyproline II helixtrans-102.7145.1171.9-66.5-83000111P423 M429 L976 I981 C983 L986 N990 L1001 T1002P423-F1004 VanDerWaalsContact CG-O 3.22Å; P423-F1004 WeakPolarHBondContact CG-O 3.4Å; M429-F1004 HydrophobicContact SD-CB 4.31Å; M429-F1004 HydrophobicContact SD-CD2 4.26Å; L976-F1004 HydrophobicContact CD1-CB 4.34Å; L976-F1004 HydrophobicContact CD1-CD2 4.11Å; L976-F1004 HydrophobicContact CD2-CB 4.23Å; I981-F1004 HydrophobicContact CG2-CB 4.37Å; C983-F1004 HydrophobicContact CB-CD1 3.88Å; C983-F1004 HydrophobicContact CB-CE1 3.64Å; C983-F1004 HydrophobicContact CB-CE2 4.38Å; C983-F1004 HydrophobicContact CB-CG 4.36Å; C983-F1004 HydrophobicContact CB-CZ 3.91Å; L986-F1004 HydrophobicContact CD1-CE2 4.29Å; L986-F1004 HydrophobicContact CD1-CZ 4.19Å; N990-F1004 HydrophobicContact CB-CZ 4.19Å; L1001-F1004 HydrophobicContact CB-CE2 4.46Å; T1002-F1004 WeakPolarHBondContact O-CD2 3.45Å; T1002-F1004 VanDerWaalsContact O-CE2 3.31Å; T1002-F1004 WeakPolarHBondContact O-CE2 3.33Å; T1002-F1004 PolarHBondContact O-N 3.41Å
1005C88.3Confident83.3Confident27 Ų2737.2 Ų37.218%0.18220%0.196CC..  trans-165156.2176.557.20000110.1I421 M422 Y1003I421-C1005 WeakPolarHBondContact O-CB 3.5Å; M422-C1005 HydrophobicContact CE-CB 4.41Å; M422-C1005 HydrophobicContact SD-CB 3.57Å; M422-C1005 VanDerWaalsContact SD-CB 3.57Å; Y1003-C1005 HydrophobicContact CD1-CB 4.36Å; Y1003-C1005 HydrophobicContact CE1-CB 3.58Å
1006S86.1Confident83Confident17 Ų1735.4 Ų35.412%0.11919%0.187CC..BIsolated β-bridgetrans-109141.5166.3-173.50000109.5T420 I421 E1012T420-S1006 CarbonylContact C-O 3.57Å; T420-S1006 WeakPolarHBondContact CA-O 3.25Å; I421-S1006 PolarHBondContact N-O 2.93Å; I421-S1006 PolarHBondContact O-N 3.28Å; S1006-E1012 WeakPolarHBondContact CB-OE1 3.34Å; S1006-E1012 PolarHBondContact OG-OE1 3.12Å
1007W81.8Confident82.9Confident22 Ų2237.1 Ų37.18%0.08320%0.195CC..  trans-138.2129.8-178.8-170.5-69.6000109.4T420 M422 F435 I437 V442 D1009 V1010T420-W1007 HydrophobicContact CG2-CB 4.33Å; T420-W1007 HydrophobicContact CG2-CD2 3.61Å; T420-W1007 HydrophobicContact CG2-CE3 3.48Å; T420-W1007 VanDerWaalsContact CG2-CE3 3.48Å; T420-W1007 HydrophobicContact CG2-CG 4.02Å; T420-W1007 HydrophobicContact CG2-CZ3 3.97Å; M422-W1007 HydrophobicContact CE-CE3 4.24Å; M422-W1007 HydrophobicContact CE-CZ3 4.09Å; M422-W1007 HydrophobicContact CG-CE3 4.22Å; M422-W1007 HydrophobicContact CG-CZ3 4.12Å; M422-W1007 HydrophobicContact SD-CE3 3.64Å; M422-W1007 HydrophobicContact SD-CZ3 3.92Å; F435-W1007 AromaticContact CD2-CH2 3.98Å; F435-W1007 HydrophobicContact CD2-CH2 3.98Å; F435-W1007 HydrophobicContact CD2-CZ3 4.28Å; F435-W1007 AromaticContact CE2-CH2 3.95Å; F435-W1007 HydrophobicContact CE2-CH2 3.95Å; F435-W1007 HydrophobicContact CE2-CZ3 4.47Å; I437-W1007 HydrophobicContact CD1-CH2 3.75Å; I437-W1007 HydrophobicContact CD1-CZ2 3.68Å; I437-W1007 HydrophobicContact CG1-CH2 3.97Å; I437-W1007 HydrophobicContact CG1-CZ2 4.01Å; V442-W1007 HydrophobicContact CG1-CD2 4.39Å; V442-W1007 HydrophobicContact CG1-CE3 4.06Å; V442-W1007 HydrophobicContact CG1-CH2 3.92Å; V442-W1007 HydrophobicContact CG1-CZ2 4.25Å; V442-W1007 HydrophobicContact CG1-CZ3 3.82Å; V442-W1007 HydrophobicContact CG2-CD2 4.17Å; V442-W1007 HydrophobicContact CG2-CH2 4.41Å; V442-W1007 HydrophobicContact CG2-CZ2 3.9Å; W1007-D1009 VanDerWaalsContact C-N 3.3Å; W1007-D1009 PolarHBondContact O-N 3.21Å; W1007-V1010 HydrophobicContact CB-CB 3.98Å; W1007-V1010 HydrophobicContact CB-CG2 3.82Å; W1007-V1010 HydrophobicContact CG-CB 4.49Å; W1007-V1010 HydrophobicContact CG-CG2 3.87Å; W1007-V1010 PolarHBondContact O-N 2.71Å
1008C77.3Confident82.9Confident35 Ų3536.5 Ų36.524%0.23619%0.188CC..THydrogen-bonded Turntrans-53.6-44.4-168.957.80000113.6C414 K418 T420C414-C1008 PolarHBondContact SG-O 3.12Å; K418-C1008 WeakPolarHBondContact O-CB 3.49Å; T420-C1008 PolarHBondContact OG1-N 3.34Å; T420-C1008 PolarHBondContact OG1-SG 3.12Å
1009D73.4Confident82.5Confident70 Ų7038.3 Ų38.337%0.37420%0.198SC..THydrogen-bonded Turntrans-90.96.1-176.5-38.9-43.3000113.9K410 S411 W1007K410-D1009 CarbonylContact C-O 3.52Å; K410-D1009 WeakPolarHBondContact CA-O 3.31Å; K410-D1009 HydrophobicContact CB-CB 4.34Å; K410-D1009 VanDerWaalsContact CB-O 3.32Å; K410-D1009 WeakPolarHBondContact CB-O 3.38Å; K410-D1009 HydrophobicContact CD-CB 4.37Å; K410-D1009 HydrophobicContact CG-CB 4.29Å; S411-D1009 PolarHBondContact N-O 2.98Å; S411-D1009 PolarHBondContact OG-O 2.66Å; W1007-D1009 VanDerWaalsContact C-N 3.3Å; W1007-D1009 PolarHBondContact O-N 3.21Å
1010V75.7Confident82.1Confident14 Ų1441.1 Ų41.19%0.08522%0.221CC..BIsolated β-bridgetrans-106.5139.1-175.8170.60000110.3L408 W1007L408-V1010 HydrophobicContact CB-CG1 4.07Å; L408-V1010 HydrophobicContact CB-CG2 4.09Å; W1007-V1010 HydrophobicContact CB-CB 3.98Å; W1007-V1010 HydrophobicContact CB-CG2 3.82Å; W1007-V1010 HydrophobicContact CG-CB 4.49Å; W1007-V1010 HydrophobicContact CG-CG2 3.87Å; W1007-V1010 PolarHBondContact O-N 2.71Å
1011E68.1Low81.8Confident88 Ų8841.3 Ų41.341%0.41122%0.223SC..  trans-78.4129.8172.1-172.5161.5-160.300111.1P138 P141 S1013P138-E1011 WeakPolarHBondContact CG-O 3.43Å; P141-E1011 WeakPolarHBondContact CG-OE1 3.4Å; E1011-S1013 PolarHBondContact O-N 2.99Å
1012E69.1Low81.6Confident60 Ų6042.6 Ų42.628%0.2823%0.229SC..  trans-93.593.6176.5-72.5165.8-171.200108.8K418 R984 S1006K418-E1012 VanDerWaalsContact NZ-CD 3.26Å; K418-E1012 IonicContact NZ-OE1 2.64Å; K418-E1012 IonicContact NZ-OE2 2.65Å; K418-E1012 PolarHBondContact NZ-OE2 2.65Å; R984-E1012 IonicContact CZ-OE2 3.01Å; R984-E1012 IonicContact NE-OE2 3.99Å; R984-E1012 IonicContact NH1-OE2 3.12Å; R984-E1012 PolarHBondContact NH1-OE2 2.93Å; S1006-E1012 WeakPolarHBondContact CB-OE1 3.34Å; S1006-E1012 PolarHBondContact OG-OE1 3.12Å
1013S68.2Low81.7Confident29 Ų2941.9 Ų41.920%0.20322%0.224CC..  trans-108.8136.9177.5144.50000111A139 E1011A139-S1013 PolarHBondContact N-OG 3.49Å; A139-S1013 WeakPolarHBondContact O-CB 3.31Å; A139-S1013 PolarHBondContact O-OG 3.42Å; E1011-S1013 PolarHBondContact O-N 2.99Å
1014C73.4Confident81.7Confident20 Ų2042.3 Ų42.314%0.13523%0.227CC..  trans-94.2150.6-176.5-57.90000111.4D985 K1016 M1019D985-C1014 HydrophobicContact CB-CB 4.18Å; C1014-K1016 PolarHBondContact O-N 2.91Å; C1014-M1019 HydrophobicContact CB-SD 4.49Å
1015D79Confident81.8Confident34 Ų3441.5 Ų41.518%0.18222%0.224CC..  trans-66.7129.8-179.2-141.6-24.2000112.7K390 D985 E1017 A1018 M1019K390-D1015 IonicContact NZ-OD1 3.06Å; K390-D1015 PolarHBondContact NZ-OD1 3.29Å; K390-D1015 IonicContact NZ-OD2 2.72Å; K390-D1015 PolarHBondContact NZ-OD2 3.42Å; D985-D1015 PolarHBondContact OD2-N 3.35Å; D1015-E1017 PolarHBondContact O-N 3.29Å; D1015-A1018 HydrophobicContact CB-CB 3.96Å; D1015-A1018 WeakPolarHBondContact O-CB 3.2Å; D1015-A1018 PolarHBondContact O-N 2.88Å; D1015-M1019 PolarHBondContact O-N 2.96Å; D1015-M1019 VanDerWaalsContact O-N 3.08Å
1016K79.8Confident81.8Confident88 Ų8842.7 Ų42.738%0.38323%0.231SC..Hα-helixtrans-67.1-28.9-176.4-64.3175.5-176.1173.90111.5E140 C1014 M1019 A1020E140-K1016 PolarHBondContact O-NZ 3.29Å; C1014-K1016 PolarHBondContact O-N 2.91Å; K1016-M1019 HydrophobicContact CB-CE 4.44Å; K1016-M1019 HydrophobicContact CG-CE 4.04Å; K1016-A1020 WeakPolarHBondContact O-CB 3.46Å; K1016-A1020 PolarHBondContact O-N 2.99Å; K1016-A1020 VanDerWaalsContact O-N 3.12Å
1017E81.9Confident82Confident126 Ų12642.4 Ų42.459%0.58923%0.228SC*.Hα-helixtrans-74.2-30.4171.9-173.4166.8-156.900112.6D1015 N1021D1015-E1017 PolarHBondContact O-N 3.29Å; E1017-N1021 WeakPolarHBondContact CG-ND2 3.23Å; E1017-N1021 WeakPolarHBondContact O-CB 3.47Å; E1017-N1021 PolarHBondContact O-N 3.08Å; E1017-N1021 VanDerWaalsContact O-N 3.12Å; E1017-N1021 PolarHBondContact O-ND2 3.43Å
1018A85.8Confident82.3Confident3 Ų342.1 Ų42.13%0.02523%0.228CC..Hα-helixtrans-72.3-40.617700000112.1D985 N987 D1015 M1022 Y1023D985-A1018 WeakPolarHBondContact OD1-CB 3.48Å; N987-A1018 HydrophobicContact CB-CB 3.75Å; D1015-A1018 HydrophobicContact CB-CB 3.96Å; D1015-A1018 WeakPolarHBondContact O-CB 3.2Å; D1015-A1018 PolarHBondContact O-N 2.88Å; A1018-M1022 PolarHBondContact O-N 3.18Å; A1018-Y1023 PolarHBondContact O-N 2.64Å
1019M85.9Confident82.2Confident80 Ų8043.7 Ų43.739%0.39425%0.251SS..Hα-helixtrans-63-46170.7-67.5-174.1-7200111.7C1014 D1015 K1016 N1021 M1022 C1024C1014-M1019 HydrophobicContact CB-SD 4.49Å; D1015-M1019 PolarHBondContact O-N 2.96Å; D1015-M1019 VanDerWaalsContact O-N 3.08Å; K1016-M1019 HydrophobicContact CB-CE 4.44Å; K1016-M1019 HydrophobicContact CG-CE 4.04Å; M1019-N1021 VanDerWaalsContact C-N 3.3Å; M1019-N1021 PolarHBondContact O-N 2.79Å; M1019-M1022 PolarHBondContact O-N 3.03Å; M1019-C1024 HydrophobicContact CG-CB 3.85Å
1020A85.3Confident82.3Confident61 Ų6142.6 Ų42.650%0.50426%0.256SS..Hα-helixtrans-61.4-36.3-179.800000113.2K1016 M1022K1016-A1020 WeakPolarHBondContact O-CB 3.46Å; K1016-A1020 PolarHBondContact O-N 2.99Å; K1016-A1020 VanDerWaalsContact O-N 3.12Å; A1020-M1022 VanDerWaalsContact C-N 3.31Å
1021N87.6Confident82.1Confident40 Ų4051 Ų5121%0.21430%0.298CS..THydrogen-bonded Turntrans-863.5176.9-71-66.9000114.2E1017 M1019 Y1023E1017-N1021 WeakPolarHBondContact CG-ND2 3.23Å; E1017-N1021 WeakPolarHBondContact O-CB 3.47Å; E1017-N1021 PolarHBondContact O-N 3.08Å; E1017-N1021 VanDerWaalsContact O-N 3.12Å; E1017-N1021 PolarHBondContact O-ND2 3.43Å; M1019-N1021 VanDerWaalsContact C-N 3.3Å; M1019-N1021 PolarHBondContact O-N 2.79Å; N1021-Y1023 VanDerWaalsContact C-N 3.34Å; N1021-Y1023 HydrophobicContact CB-CD2 3.75Å; N1021-Y1023 HydrophobicContact CB-CE2 3.35Å; N1021-Y1023 PolarHBondContact O-N 2.86Å
1022M91.3Very high82.4Confident27 Ų2749.8 Ų49.813%0.13330%0.3CS..THydrogen-bonded Turntrans63.625.7179.8-51.6-172.9-59.900116.1A1018 M1019 A1020 W1041 L1056 L1057 H1060A1018-M1022 PolarHBondContact O-N 3.18Å; M1019-M1022 PolarHBondContact O-N 3.03Å; A1020-M1022 VanDerWaalsContact C-N 3.31Å; M1022-W1041 PolarHBondContact O-NE1 2.8Å; M1022-L1056 HydrophobicContact CB-CD2 4.49Å; M1022-L1056 HydrophobicContact CE-CB 4.29Å; M1022-L1056 HydrophobicContact CE-CD2 4.42Å; M1022-L1056 HydrophobicContact CE-CG 4.03Å; M1022-L1057 HydrophobicContact CE-CB 4.31Å; M1022-L1057 HydrophobicContact CE-CD1 4.4Å; M1022-H1060 HydrophobicContact CE-CB 4.2Å
1023Y94.3Very high82.8Confident17 Ų1754.8 Ų54.87%0.06732%0.323CS..  trans-70.3-40.1166.8-56.2-66.4000110.6N987 P988 A1018 N1021 S1042 A1045 I1046 E1049N987-Y1023 HydrophobicContact CB-CD2 4.03Å; N987-Y1023 HydrophobicContact CB-CG 4.13Å; P988-Y1023 HydrophobicContact CG-CD1 4.35Å; P988-Y1023 HydrophobicContact CG-CD2 4.49Å; P988-Y1023 HydrophobicContact CG-CE1 3.8Å; P988-Y1023 HydrophobicContact CG-CE2 3.93Å; A1018-Y1023 PolarHBondContact O-N 2.64Å; N1021-Y1023 VanDerWaalsContact C-N 3.34Å; N1021-Y1023 HydrophobicContact CB-CD2 3.75Å; N1021-Y1023 HydrophobicContact CB-CE2 3.35Å; N1021-Y1023 PolarHBondContact O-N 2.86Å; Y1023-S1042 VanDerWaalsContact O-CA 3.26Å; Y1023-S1042 WeakPolarHBondContact O-CA 3.46Å; Y1023-S1042 PolarHBondContact O-OG 3.35Å; Y1023-A1045 HydrophobicContact CD1-CB 3.91Å; Y1023-I1046 HydrophobicContact CD1-CG1 4.35Å; Y1023-E1049 PolarHBondContact OH-OE2 2.18Å
1024C92.7Very high83.6Confident10 Ų1055.8 Ų55.87%0.06833%0.325CS..SBendtrans-68.2140.5170.1-59.70000111R984 M1019 V1028 W1041R984-C1024 PolarHBondContact O-SG 2.97Å; M1019-C1024 HydrophobicContact CG-CB 3.85Å; C1024-V1028 HydrophobicContact CB-CB 4.33Å; C1024-V1028 HydrophobicContact CB-CG1 4.39Å; C1024-W1041 PolarHBondContact O-NE1 3.3Å
1025A92.3Very high84.4Confident4 Ų456.2 Ų56.23%0.03333%0.327CS..  trans-70.2154.2-179.500000113E1027 V1028 C1038 W1041A1025-E1027 VanDerWaalsContact CB-CD 3.45Å; A1025-E1027 HydrophobicContact CB-CG 4.38Å; A1025-E1027 WeakPolarHBondContact CB-OE1 3.25Å; A1025-E1027 WeakPolarHBondContact CB-OE2 3.42Å; A1025-E1027 PolarHBondContact O-N 2.81Å; A1025-V1028 HydrophobicContact CB-CG2 4.13Å; A1025-V1028 WeakPolarHBondContact O-CB 3.17Å; A1025-V1028 PolarHBondContact O-N 2.79Å; A1025-C1038 HydrophobicContact CB-CB 3.65Å; A1025-W1041 VanDerWaalsContact CA-CD1 3.44Å; A1025-W1041 HydrophobicContact CB-CB 3.64Å; A1025-W1041 HydrophobicContact CB-CD2 4.32Å; A1025-W1041 HydrophobicContact CB-CG 3.65Å
1026P89.7Confident85Confident51 Ų5157.2 Ų57.233%0.33134%0.335SS..THydrogen-bonded Turntrans-59-19.6-177.2-25.435000115.6W1041 Y1090P1026-W1041 HydrophobicContact CG-CE3 4.41Å; P1026-W1041 HydrophobicContact CG-CH2 3.82Å; P1026-W1041 HydrophobicContact CG-CZ2 4.02Å; P1026-W1041 HydrophobicContact CG-CZ3 4.03Å; P1026-Y1090 HydrophobicContact CB-CD2 4.01Å; P1026-Y1090 HydrophobicContact CB-CE2 3.6Å; P1026-Y1090 HydrophobicContact CG-CD2 3.76Å; P1026-Y1090 HydrophobicContact CG-CE2 3.84Å
1027E89.8Confident85.7Confident11 Ų1153.4 Ų53.45%0.05132%0.32CS..THydrogen-bonded Turntrans-83.9-19.4174.865.4-88.7-164.500115.1A1025 G1030 C1038 R1095A1025-E1027 VanDerWaalsContact CB-CD 3.45Å; A1025-E1027 HydrophobicContact CB-CG 4.38Å; A1025-E1027 WeakPolarHBondContact CB-OE1 3.25Å; A1025-E1027 WeakPolarHBondContact CB-OE2 3.42Å; A1025-E1027 PolarHBondContact O-N 2.81Å; E1027-G1030 PolarHBondContact O-N 3.24Å; E1027-G1030 VanDerWaalsContact O-N 3.15Å; E1027-C1038 HydrophobicContact CG-CB 4.35Å; E1027-C1038 WeakPolarHBondContact OE1-CA 3.13Å; E1027-C1038 WeakPolarHBondContact OE1-CB 3.35Å; E1027-R1095 IonicContact OE1-CZ 2.74Å; E1027-R1095 IonicContact OE1-NH1 3.22Å; E1027-R1095 PolarHBondContact OE1-NH1 2.92Å; E1027-R1095 IonicContact OE1-NH2 2.69Å; E1027-R1095 PolarHBondContact OE1-NH2 3.45Å; E1027-R1095 IonicContact OE2-CZ 3.13Å; E1027-R1095 IonicContact OE2-NH1 2.67Å; E1027-R1095 IonicContact OE2-NH2 2.71Å; E1027-R1095 PolarHBondContact OE2-NH2 2.78Å
1028V87.1Confident86.3Confident16 Ų1647.4 Ų47.410%0.09729%0.292CS..THydrogen-bonded Turntrans-71.7131-176177.30000110.4C1024 A1025 G1030 C1038C1024-V1028 HydrophobicContact CB-CB 4.33Å; C1024-V1028 HydrophobicContact CB-CG1 4.39Å; A1025-V1028 HydrophobicContact CB-CG2 4.13Å; A1025-V1028 WeakPolarHBondContact O-CB 3.17Å; A1025-V1028 PolarHBondContact O-N 2.79Å; V1028-G1030 PolarHBondContact O-N 2.93Å; V1028-C1038 HydrophobicContact CG2-CB 3.63Å
1029G75.1Confident86.8Confident69 Ų6947.3 Ų47.371%0.71129%0.29SS*.THydrogen-bonded Turntrans67.16.1-172.500000114.7E1034G1029-E1034 PolarHBondContact N-OE1 3.01Å
1030G76.9Confident87.3Confident47 Ų4743.7 Ų43.749%0.48527%0.272SS..THydrogen-bonded Turntrans-85.3-17217200000113E1027 V1028 S1032E1027-G1030 PolarHBondContact O-N 3.24Å; E1027-G1030 VanDerWaalsContact O-N 3.15Å; V1028-G1030 PolarHBondContact O-N 2.93Å; G1030-S1032 PolarHBondContact O-N 2.87Å
1031I70.5Confident87.8Confident189 Ų18940.9 Ų40.997%0.96925%0.249SC*.THydrogen-bonded Turntrans-85.59.7172.563.3168.5000113.5
1032S73.9Confident88.3Confident63 Ų6339 Ų3944%0.44124%0.239SC..SBendtrans-84.9157.5179.8-172.20000110.8G1030G1030-S1032 PolarHBondContact O-N 2.87Å
1033E78.6Confident88.6Confident166 Ų16637.7 Ų37.778%0.77623%0.232SC*.PPolyproline II helixtrans-66.6130.1159.2-171.2164.5-158.600109
1034E84.5Confident88.7Confident50 Ų5036.9 Ų36.923%0.23423%0.229CC..PPolyproline II helixtrans-85.6124.9178.3-66.4172.5139.900109R984 G1029R984-E1034 IonicContact CZ-OE2 2.94Å; R984-E1034 IonicContact NE-OE2 3.81Å; R984-E1034 IonicContact NH1-OE2 3.31Å; R984-E1034 PolarHBondContact NH1-OE2 3.35Å; R984-E1034 IonicContact NH2-OE2 3.48Å; R984-E1034 PolarHBondContact NH2-OE2 2.8Å; R984-E1034 VanDerWaalsContact NH2-OE2 3.12Å; G1029-E1034 PolarHBondContact N-OE1 3.01Å
1035T90.1Very high88.9Confident29 Ų2936.4 Ų36.418%0.17823%0.226CC..  trans-122.5160.7-174.556.60000110.4S1037 C1038 M1093T1035-S1037 PolarHBondContact O-N 3.3Å; T1035-C1038 PolarHBondContact O-N 3.33Å; T1035-C1038 PolarHBondContact O-SG 3.28Å; T1035-M1093 HydrophobicContact CG2-CE 4.42Å
1036P92.6Very high89.1Confident55 Ų5536.2 Ų36.236%0.35722%0.224SC..THydrogen-bonded Turntrans-53-22.2178.5-27.435.7000114.6H977 I982 C1038 D1039H977-P1036 PolarHBondContact CE1-O 2.84Å; I982-P1036 HydrophobicContact CD1-CG 4.15Å; I982-P1036 HydrophobicContact CG1-CG 4.16Å; P1036-C1038 PolarHBondContact O-N 2.79Å; P1036-C1038 VanDerWaalsContact O-N 3.12Å; P1036-D1039 PolarHBondContact O-N 3.28Å; P1036-D1039 VanDerWaalsContact O-N 3.11Å
1037S94.1Very high89.4Confident8 Ų833.9 Ų33.96%0.05621%0.209CC..Hα-helixtrans-50.8-28.4170.3-54.40000114.7T1035 D1039 W1040 W1041 P1092 R1095 A1098T1035-S1037 PolarHBondContact O-N 3.3Å; S1037-D1039 VanDerWaalsContact C-N 3.3Å; S1037-D1039 PolarHBondContact O-N 2.87Å; S1037-W1040 PolarHBondContact O-N 2.88Å; S1037-W1041 PolarHBondContact O-N 2.72Å; S1037-P1092 WeakPolarHBondContact CB-O 3.29Å; S1037-P1092 PolarHBondContact OG-O 2.85Å; S1037-P1092 VanDerWaalsContact OG-O 3.08Å; S1037-R1095 VanDerWaalsContact C-NH1 3.27Å; S1037-R1095 WeakPolarHBondContact O-CD 3.31Å; S1037-R1095 PolarHBondContact O-NH1 3.16Å; S1037-A1098 VanDerWaalsContact OG-CB 3.26Å; S1037-A1098 WeakPolarHBondContact OG-CB 3.26Å
1038C94.4Very high89.6Confident0 Ų033.3 Ų33.30%021%0.206CC..Hα-helixtrans-69.4-27.7-179.9700000113I982 A1025 E1027 V1028 T1035 P1036 S1042I982-C1038 WeakPolarHBondContact CG2-SG 3.22Å; A1025-C1038 HydrophobicContact CB-CB 3.65Å; E1027-C1038 HydrophobicContact CG-CB 4.35Å; E1027-C1038 WeakPolarHBondContact OE1-CA 3.13Å; E1027-C1038 WeakPolarHBondContact OE1-CB 3.35Å; V1028-C1038 HydrophobicContact CG2-CB 3.63Å; T1035-C1038 PolarHBondContact O-N 3.33Å; T1035-C1038 PolarHBondContact O-SG 3.28Å; P1036-C1038 PolarHBondContact O-N 2.79Å; P1036-C1038 VanDerWaalsContact O-N 3.12Å; C1038-S1042 PolarHBondContact O-N 3.49Å; C1038-S1042 VanDerWaalsContact O-N 3.11Å; C1038-S1042 PolarHBondContact O-OG 2.9Å
1039D95.9Very high90Very high0 Ų034.2 Ų34.20%021%0.209CC..Hα-helixtrans-75-29.3173.9-61.5-27.5000111.1L973 H977 I982 C983 R984 P1036 S1037 S1042 L1043L973-D1039 HydrophobicContact CD1-CB 4.39Å; L973-D1039 HydrophobicContact CD2-CB 4.08Å; H977-D1039 IonicContact CD2-OD2 3.59Å; H977-D1039 IonicContact CE1-OD2 2.71Å; H977-D1039 IonicContact NE2-OD2 3.14Å; H977-D1039 PolarHBondContact NE2-OD2 3.24Å; I982-D1039 WeakPolarHBondContact CG2-OD2 3.49Å; C983-D1039 WeakPolarHBondContact CA-OD1 3.46Å; C983-D1039 VanDerWaalsContact CB-OD1 3.31Å; C983-D1039 WeakPolarHBondContact CB-OD1 3.49Å; C983-D1039 PolarHBondContact N-OD1 3.35Å; C983-D1039 PolarHBondContact N-OD2 3.01Å; R984-D1039 PolarHBondContact N-OD1 3.32Å; P1036-D1039 PolarHBondContact O-N 3.28Å; P1036-D1039 VanDerWaalsContact O-N 3.11Å; S1037-D1039 VanDerWaalsContact C-N 3.3Å; S1037-D1039 PolarHBondContact O-N 2.87Å; D1039-S1042 WeakPolarHBondContact O-CB 3.26Å; D1039-S1042 PolarHBondContact O-N 2.89Å; D1039-L1043 PolarHBondContact O-N 3.46Å
1040W97Very high90.8Very high4 Ų431.2 Ų31.22%0.01518%0.177CC..Hα-helixtrans-71.9-32.7174-56.8137.4000113.1V970 L973 H977 S1037 L1043 G1044 L1087 V1103 I1106V970-W1040 HydrophobicContact CG1-CH2 4.48Å; V970-W1040 HydrophobicContact CG1-CZ3 4.44Å; V970-W1040 HydrophobicContact CG2-CZ3 4.25Å; L973-W1040 HydrophobicContact CB-CH2 3.68Å; L973-W1040 HydrophobicContact CB-CZ3 3.74Å; L973-W1040 HydrophobicContact CD1-CE3 3.96Å; L973-W1040 HydrophobicContact CD1-CH2 4.37Å; L973-W1040 HydrophobicContact CD1-CZ3 3.59Å; L973-W1040 HydrophobicContact CG-CZ3 4.33Å; H977-W1040 AromaticContact CE1-CE2 3.71Å; H977-W1040 AromaticContact CE1-CZ2 3.59Å; H977-W1040 AromaticContact ND1-CE2 3.88Å; H977-W1040 AromaticContact ND1-CZ2 3.46Å; H977-W1040 WeakPolarHBondContact ND1-CZ2 3.44Å; S1037-W1040 PolarHBondContact O-N 2.88Å; W1040-L1043 HydrophobicContact CE3-CD2 3.91Å; W1040-L1043 HydrophobicContact CZ3-CD2 4.21Å; W1040-G1044 PolarHBondContact O-N 3.49Å; W1040-L1087 HydrophobicContact CB-CD2 4.04Å; W1040-V1103 HydrophobicContact CH2-CB 4.46Å; W1040-V1103 HydrophobicContact CH2-CG2 3.69Å; W1040-V1103 HydrophobicContact CZ2-CB 4.09Å; W1040-V1103 HydrophobicContact CZ2-CG2 3.81Å; W1040-I1106 HydrophobicContact CB-CD1 4.44Å; W1040-I1106 HydrophobicContact CD2-CD1 3.35Å; W1040-I1106 HydrophobicContact CE3-CD1 3.5Å; W1040-I1106 VanDerWaalsContact CE3-CD1 3.5Å; W1040-I1106 HydrophobicContact CG-CD1 3.78Å; W1040-I1106 HydrophobicContact CH2-CD1 4.22Å; W1040-I1106 HydrophobicContact CZ2-CD1 4.08Å; W1040-I1106 HydrophobicContact CZ3-CD1 3.93Å
1041W96.3Very high91.6Very high3 Ų329.8 Ų29.81%0.01116%0.158CC..Hα-helixtrans-63.7-45.9165.6172.3-74.9000110.9M1022 C1024 A1025 P1026 S1037 L1043 G1044 A1045 L1056 I1064 L1088M1022-W1041 PolarHBondContact O-NE1 2.8Å; C1024-W1041 PolarHBondContact O-NE1 3.3Å; A1025-W1041 VanDerWaalsContact CA-CD1 3.44Å; A1025-W1041 HydrophobicContact CB-CB 3.64Å; A1025-W1041 HydrophobicContact CB-CD2 4.32Å; A1025-W1041 HydrophobicContact CB-CG 3.65Å; P1026-W1041 HydrophobicContact CG-CE3 4.41Å; P1026-W1041 HydrophobicContact CG-CH2 3.82Å; P1026-W1041 HydrophobicContact CG-CZ2 4.02Å; P1026-W1041 HydrophobicContact CG-CZ3 4.03Å; S1037-W1041 PolarHBondContact O-N 2.72Å; W1041-L1043 VanDerWaalsContact C-N 3.3Å; W1041-L1043 PolarHBondContact O-N 3.41Å; W1041-G1044 CarbonylContact O-C 3.3Å; W1041-G1044 WeakPolarHBondContact O-CA 3.34Å; W1041-G1044 PolarHBondContact O-N 3.28Å; W1041-A1045 PolarHBondContact O-N 2.98Å; W1041-L1056 HydrophobicContact CZ2-CD2 4.35Å; W1041-I1064 HydrophobicContact CH2-CB 3.96Å; W1041-I1064 HydrophobicContact CH2-CD1 4.1Å; W1041-I1064 HydrophobicContact CH2-CG2 3.82Å; W1041-I1064 HydrophobicContact CZ2-CD1 4.3Å; W1041-I1064 HydrophobicContact CZ3-CG2 4.45Å; W1041-L1088 HydrophobicContact CD2-CD2 3.81Å; W1041-L1088 HydrophobicContact CE3-CD2 4.09Å; W1041-L1088 HydrophobicContact CG-CD2 4.25Å; W1041-L1088 HydrophobicContact CH2-CD2 4.42Å; W1041-L1088 HydrophobicContact CZ2-CD2 4.15Å; W1041-L1088 HydrophobicContact CZ3-CB 4.39Å; W1041-L1088 HydrophobicContact CZ3-CD2 4.38Å; W1041-L1088 VanDerWaalsContact CZ3-O 3.27Å; W1041-L1088 WeakPolarHBondContact CZ3-O 3.37Å
1042S96.7Very high92.4Very high0 Ų021.3 Ų21.30%012%0.115CC..Hα-helixtrans-56.7-44.9178.8-52.20000111.7L986 Y1023 C1038 D1039 A1045 I1046L986-S1042 WeakPolarHBondContact O-CB 3.31Å; Y1023-S1042 VanDerWaalsContact O-CA 3.26Å; Y1023-S1042 WeakPolarHBondContact O-CA 3.46Å; Y1023-S1042 PolarHBondContact O-OG 3.35Å; C1038-S1042 PolarHBondContact O-N 3.49Å; C1038-S1042 VanDerWaalsContact O-N 3.11Å; C1038-S1042 PolarHBondContact O-OG 2.9Å; D1039-S1042 WeakPolarHBondContact O-CB 3.26Å; D1039-S1042 PolarHBondContact O-N 2.89Å; S1042-A1045 PolarHBondContact O-N 3.23Å; S1042-I1046 WeakPolarHBondContact O-CB 3.41Å; S1042-I1046 WeakPolarHBondContact O-CD1 3.42Å; S1042-I1046 PolarHBondContact O-N 2.89Å
1043L97.6Very high93.1Very high0 Ų021 Ų210%012%0.123CC..Hα-helixtrans-56.5-49.3169.3176.366.5000111.5I969 V970 D1039 W1040 W1041 A1045 I1046 L1047 L1087I969-L1043 HydrophobicContact CB-CD1 4.3Å; I969-L1043 HydrophobicContact CG2-CD1 3.84Å; V970-L1043 HydrophobicContact CG2-CD2 3.5Å; D1039-L1043 PolarHBondContact O-N 3.46Å; W1040-L1043 HydrophobicContact CE3-CD2 3.91Å; W1040-L1043 HydrophobicContact CZ3-CD2 4.21Å; W1041-L1043 VanDerWaalsContact C-N 3.3Å; W1041-L1043 PolarHBondContact O-N 3.41Å; L1043-A1045 VanDerWaalsContact C-N 3.33Å; L1043-A1045 PolarHBondContact O-N 2.93Å; L1043-I1046 PolarHBondContact O-N 3Å; L1043-L1047 HydrophobicContact CD1-CD1 3.92Å; L1043-L1047 HydrophobicContact CD1-CD2 4.3Å; L1043-L1047 HydrophobicContact CD1-CG 3.93Å; L1043-L1047 HydrophobicContact CG-CD1 3.93Å; L1043-L1047 HydrophobicContact CG-CG 4.25Å; L1043-L1047 VanDerWaalsContact O-CG 3.31Å; L1043-L1047 WeakPolarHBondContact O-CG 3.35Å; L1043-L1047 PolarHBondContact O-N 3.11Å; L1043-L1087 HydrophobicContact CD2-CD1 4.22Å; L1043-L1087 HydrophobicContact CG-CD1 4.27Å
1044G96.9Very high93.5Very high0 Ų015.6 Ų15.60%010%0.101CC..Hα-helixtrans-56.2-42.2177.300000113.7W1040 W1041 L1047 F1048 L1084W1040-G1044 PolarHBondContact O-N 3.49Å; W1041-G1044 CarbonylContact O-C 3.3Å; W1041-G1044 WeakPolarHBondContact O-CA 3.34Å; W1041-G1044 PolarHBondContact O-N 3.28Å; G1044-L1047 PolarHBondContact O-N 3.35Å; G1044-F1048 WeakPolarHBondContact O-CB 3.19Å; G1044-F1048 PolarHBondContact O-N 3.17Å; G1044-L1084 WeakPolarHBondContact O-CD2 3.34Å
1045A96.2Very high93.7Very high0 Ų014.5 Ų14.50%010%0.099CC..Hα-helixtrans-68.9-39.2178.400000112.2Y1023 W1041 S1042 L1043 E1049 L1056 L1088Y1023-A1045 HydrophobicContact CD1-CB 3.91Å; W1041-A1045 PolarHBondContact O-N 2.98Å; S1042-A1045 PolarHBondContact O-N 3.23Å; L1043-A1045 VanDerWaalsContact C-N 3.33Å; L1043-A1045 PolarHBondContact O-N 2.93Å; A1045-E1049 PolarHBondContact O-N 3.43Å; A1045-L1056 HydrophobicContact CB-CD2 3.98Å; A1045-L1088 HydrophobicContact CB-CD2 4.24Å
1046I96.6Very high93.7Very high0 Ų013.1 Ų13.10%09%0.09CC..Hα-helixtrans-63.4-47172.9-82.2156.2000111.4W455 L986 I991 Y1023 S1042 L1043 F1048 E1049 L1050W455-I1046 HydrophobicContact CH2-CG1 4.35Å; W455-I1046 HydrophobicContact CH2-CG2 4.03Å; L986-I1046 HydrophobicContact CD2-CD1 4.15Å; L986-I1046 HydrophobicContact CG-CD1 3.91Å; I991-I1046 HydrophobicContact CD1-CD1 3.81Å; I991-I1046 HydrophobicContact CD1-CG1 4.27Å; I991-I1046 HydrophobicContact CD1-CG2 3.86Å; Y1023-I1046 HydrophobicContact CD1-CG1 4.35Å; S1042-I1046 WeakPolarHBondContact O-CB 3.41Å; S1042-I1046 WeakPolarHBondContact O-CD1 3.42Å; S1042-I1046 PolarHBondContact O-N 2.89Å; L1043-I1046 PolarHBondContact O-N 3Å; I1046-F1048 VanDerWaalsContact C-N 3.34Å; I1046-F1048 PolarHBondContact O-N 2.89Å; I1046-E1049 PolarHBondContact O-N 3.2Å; I1046-L1050 HydrophobicContact CG2-CD1 3.88Å; I1046-L1050 WeakPolarHBondContact O-CG 3.48Å; I1046-L1050 PolarHBondContact O-N 3.06Å
1047L96.3Very high93.6Very high1 Ų113.3 Ų13.31%0.0059%0.088CC..Hα-helixtrans-66.9-36.1178.7-64.7-179.1000111.6V962 A966 L1043 G1044 E1049 L1050 L1051 L1083 L1084 L1087V962-L1047 HydrophobicContact CG1-CD2 3.89Å; A966-L1047 HydrophobicContact CB-CD1 4.24Å; A966-L1047 HydrophobicContact CB-CD2 3.68Å; L1043-L1047 HydrophobicContact CD1-CD1 3.92Å; L1043-L1047 HydrophobicContact CD1-CD2 4.3Å; L1043-L1047 HydrophobicContact CD1-CG 3.93Å; L1043-L1047 HydrophobicContact CG-CD1 3.93Å; L1043-L1047 HydrophobicContact CG-CG 4.25Å; L1043-L1047 VanDerWaalsContact O-CG 3.31Å; L1043-L1047 WeakPolarHBondContact O-CG 3.35Å; L1043-L1047 PolarHBondContact O-N 3.11Å; G1044-L1047 PolarHBondContact O-N 3.35Å; L1047-E1049 VanDerWaalsContact C-N 3.34Å; L1047-E1049 PolarHBondContact O-N 3.08Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.27Å; L1047-L1051 HydrophobicContact CB-CD1 4.45Å; L1047-L1051 VanDerWaalsContact O-CB 3.29Å; L1047-L1051 WeakPolarHBondContact O-CB 3.34Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.4Å; L1047-L1051 WeakPolarHBondContact O-CG 3.44Å; L1047-L1051 PolarHBondContact O-N 2.99Å; L1047-L1083 HydrophobicContact CD1-CD2 4.06Å; L1047-L1084 HydrophobicContact CB-CD2 3.79Å; L1047-L1087 HydrophobicContact CD1-CD1 4.18Å
1048F95.1Very high93.3Very high0 Ų017 Ų170%011%0.113CC..Hα-helixtrans-57.2-48173.7-176.3-80000110.9G1044 I1046 T1052 T1054 L1056 C1059 I1072 L1084 L1088G1044-F1048 WeakPolarHBondContact O-CB 3.19Å; G1044-F1048 PolarHBondContact O-N 3.17Å; I1046-F1048 VanDerWaalsContact C-N 3.34Å; I1046-F1048 PolarHBondContact O-N 2.89Å; F1048-T1052 HydrophobicContact CD1-CG2 4.32Å; F1048-T1052 HydrophobicContact CE1-CG2 4.13Å; F1048-T1052 HydrophobicContact CE2-CG2 4.36Å; F1048-T1052 HydrophobicContact CG-CG2 4.49Å; F1048-T1052 HydrophobicContact CZ-CG2 4.15Å; F1048-T1052 WeakPolarHBondContact O-CB 3.34Å; F1048-T1052 VanDerWaalsContact O-CG2 3.28Å; F1048-T1052 WeakPolarHBondContact O-CG2 3.48Å; F1048-T1052 PolarHBondContact O-N 2.94Å; F1048-T1052 PolarHBondContact O-OG1 3.39Å; F1048-T1054 WeakPolarHBondContact CD1-O 3.24Å; F1048-T1054 WeakPolarHBondContact CE1-O 3.5Å; F1048-L1056 HydrophobicContact CB-CD1 4.25Å; F1048-L1056 HydrophobicContact CD1-CB 4.31Å; F1048-L1056 HydrophobicContact CD1-CD1 3.79Å; F1048-L1056 HydrophobicContact CD2-CD1 3.66Å; F1048-L1056 HydrophobicContact CE1-CD1 4.03Å; F1048-L1056 HydrophobicContact CE2-CD1 3.89Å; F1048-L1056 HydrophobicContact CG-CD1 3.63Å; F1048-L1056 HydrophobicContact CZ-CD1 4.09Å; F1048-C1059 HydrophobicContact CE1-CB 4.04Å; F1048-C1059 HydrophobicContact CZ-CB 3.76Å; F1048-I1072 HydrophobicContact CD2-CG1 4.27Å; F1048-I1072 HydrophobicContact CE2-CG1 3.84Å; F1048-L1084 HydrophobicContact CB-CD1 4.42Å; F1048-L1084 HydrophobicContact CB-CD2 4.05Å; F1048-L1084 HydrophobicContact CD2-CD1 4.14Å; F1048-L1088 HydrophobicContact CB-CD1 4.27Å; F1048-L1088 HydrophobicContact CD2-CD1 4.27Å
1049E93.8Very high92.9Very high34 Ų3418.3 Ų18.316%0.15912%0.122CC..Hα-helixtrans-65.2-44.5179-167.6-170.117300112W455 Y1023 A1045 I1046 L1047 L1051 G1053 T1054W455-E1049 WeakPolarHBondContact CZ2-OE2 3.15Å; W455-E1049 PolarHBondContact NE1-OE1 3.35Å; W455-E1049 PolarHBondContact NE1-OE2 3.04Å; Y1023-E1049 PolarHBondContact OH-OE2 2.18Å; A1045-E1049 PolarHBondContact O-N 3.43Å; I1046-E1049 PolarHBondContact O-N 3.2Å; L1047-E1049 VanDerWaalsContact C-N 3.34Å; L1047-E1049 PolarHBondContact O-N 3.08Å; E1049-L1051 VanDerWaalsContact C-N 3.34Å; E1049-L1051 PolarHBondContact O-N 3.01Å; E1049-G1053 WeakPolarHBondContact O-CA 3.32Å; E1049-G1053 PolarHBondContact O-N 2.9Å; E1049-T1054 WeakPolarHBondContact CA-O 3.35Å
1050L92.9Very high92.6Very high6 Ų618.8 Ų18.83%0.03113%0.125CC..Hα-helixtrans-65.8-33.1-179.8-69.1173000113.3L454 W455 I458 I957 V962 W965 I1046 L1047L454-L1050 HydrophobicContact CD2-CD1 4.45Å; L454-L1050 HydrophobicContact CD2-CD2 4.32Å; W455-L1050 HydrophobicContact CH2-CD1 4.35Å; W455-L1050 HydrophobicContact CH2-CD2 4.14Å; W455-L1050 HydrophobicContact CH2-CG 4.24Å; W455-L1050 HydrophobicContact CZ2-CD2 4.01Å; W455-L1050 HydrophobicContact CZ2-CG 4.2Å; I458-L1050 HydrophobicContact CD1-CD2 3.37Å; I957-L1050 HydrophobicContact CD1-CD2 4.04Å; V962-L1050 HydrophobicContact CG1-CB 3.76Å; V962-L1050 HydrophobicContact CG1-CD1 4.23Å; V962-L1050 HydrophobicContact CG2-CB 4.1Å; W965-L1050 HydrophobicContact CE3-CD1 4.46Å; W965-L1050 HydrophobicContact CZ3-CD2 4.49Å; I1046-L1050 HydrophobicContact CG2-CD1 3.88Å; I1046-L1050 WeakPolarHBondContact O-CG 3.48Å; I1046-L1050 PolarHBondContact O-N 3.06Å; L1047-L1050 HydrophobicContact CD2-CD1 4.5Å; L1047-L1050 PolarHBondContact O-N 3.27Å
1051L92.6Very high92.1Very high18 Ų1823.7 Ų23.79%0.09416%0.157CC..Hα-helixtrans-84.1-35179.7-68.1166.7000113E959 V962 L1047 E1049 V1076 A1080 L1084E959-L1051 HydrophobicContact CG-CD2 3.89Å; V962-L1051 HydrophobicContact CB-CD2 4.13Å; V962-L1051 HydrophobicContact CG1-CD2 3.93Å; V962-L1051 HydrophobicContact CG1-CG 4.05Å; V962-L1051 HydrophobicContact CG2-CD2 4.32Å; L1047-L1051 HydrophobicContact CB-CD1 4.45Å; L1047-L1051 VanDerWaalsContact O-CB 3.29Å; L1047-L1051 WeakPolarHBondContact O-CB 3.34Å; L1047-L1051 WeakPolarHBondContact O-CD1 3.4Å; L1047-L1051 WeakPolarHBondContact O-CG 3.44Å; L1047-L1051 PolarHBondContact O-N 2.99Å; E1049-L1051 VanDerWaalsContact C-N 3.34Å; E1049-L1051 PolarHBondContact O-N 3.01Å; L1051-V1076 HydrophobicContact CB-CG2 4.36Å; L1051-V1076 HydrophobicContact CD1-CG1 4.5Å; L1051-A1080 HydrophobicContact CD1-CB 3.9Å; L1051-A1080 HydrophobicContact CD2-CB 4.48Å; L1051-L1084 HydrophobicContact CD1-CD1 3.9Å; L1051-L1084 HydrophobicContact CD1-CD2 4.32Å; L1051-L1084 HydrophobicContact CD1-CG 4.21Å
1052T89.1Confident91.6Very high10 Ų1028.6 Ų28.66%0.06120%0.199CC..Hα-helixtrans-96.7-22.2-175.565.60000114F1048 T1054 P1073 V1076F1048-T1052 HydrophobicContact CD1-CG2 4.32Å; F1048-T1052 HydrophobicContact CE1-CG2 4.13Å; F1048-T1052 HydrophobicContact CE2-CG2 4.36Å; F1048-T1052 HydrophobicContact CG-CG2 4.49Å; F1048-T1052 HydrophobicContact CZ-CG2 4.15Å; F1048-T1052 WeakPolarHBondContact O-CB 3.34Å; F1048-T1052 VanDerWaalsContact O-CG2 3.28Å; F1048-T1052 WeakPolarHBondContact O-CG2 3.48Å; F1048-T1052 PolarHBondContact O-N 2.94Å; F1048-T1052 PolarHBondContact O-OG1 3.39Å; T1052-T1054 WeakPolarHBondContact CB-OG1 3.22Å; T1052-T1054 PolarHBondContact O-N 3.21Å; T1052-T1054 PolarHBondContact OG1-N 2.94Å; T1052-T1054 VanDerWaalsContact OG1-N 3.11Å; T1052-T1054 PolarHBondContact OG1-O 3.48Å; T1052-T1054 PolarHBondContact OG1-OG1 3.27Å; T1052-P1073 HydrophobicContact CG2-CG 4.04Å; T1052-V1076 HydrophobicContact CG2-CG2 4.11Å
1053G87.4Confident91.1Very high58 Ų5829.8 Ų29.860%0.59821%0.21SC*.SBendtrans75.25.6-167.600000113.9E1049E1049-G1053 WeakPolarHBondContact O-CA 3.32Å; E1049-G1053 PolarHBondContact O-N 2.9Å
1054T86.9Confident90.6Very high51 Ų5130.5 Ų30.531%0.31321%0.214SC..SBendtrans-130.5136.4-175.549.60000111.7F1048 E1049 T1052 C1059F1048-T1054 WeakPolarHBondContact CD1-O 3.24Å; F1048-T1054 WeakPolarHBondContact CE1-O 3.5Å; E1049-T1054 WeakPolarHBondContact CA-O 3.35Å; T1052-T1054 WeakPolarHBondContact CB-OG1 3.22Å; T1052-T1054 PolarHBondContact O-N 3.21Å; T1052-T1054 PolarHBondContact OG1-N 2.94Å; T1052-T1054 VanDerWaalsContact OG1-N 3.11Å; T1052-T1054 PolarHBondContact OG1-O 3.48Å; T1052-T1054 PolarHBondContact OG1-OG1 3.27Å; T1054-C1059 PolarHBondContact OG1-SG 3.37Å; T1054-C1059 VanDerWaalsContact OG1-SG 3.39Å
1055S88.9Confident90.1Very high28 Ų2831.7 Ų31.720%0.19623%0.226CC..  trans-69150.7178.471.30000111.9L1057 S1058 C1059S1055-L1057 PolarHBondContact O-N 3.31Å; S1055-S1058 WeakPolarHBondContact O-CB 3.43Å; S1055-S1058 PolarHBondContact O-N 2.92Å; S1055-C1059 PolarHBondContact O-N 3.26Å
1056L90.2Very high89.6Confident0 Ų041.1 Ų41.10%026%0.262CS..Hα-helixtrans-57.8-34.2-177.8-163.865.1000112.3M1022 W1041 A1045 F1048 C1059 H1060 I1064 L1088M1022-L1056 HydrophobicContact CB-CD2 4.49Å; M1022-L1056 HydrophobicContact CE-CB 4.29Å; M1022-L1056 HydrophobicContact CE-CD2 4.42Å; M1022-L1056 HydrophobicContact CE-CG 4.03Å; W1041-L1056 HydrophobicContact CZ2-CD2 4.35Å; A1045-L1056 HydrophobicContact CB-CD2 3.98Å; F1048-L1056 HydrophobicContact CB-CD1 4.25Å; F1048-L1056 HydrophobicContact CD1-CB 4.31Å; F1048-L1056 HydrophobicContact CD1-CD1 3.79Å; F1048-L1056 HydrophobicContact CD2-CD1 3.66Å; F1048-L1056 HydrophobicContact CE1-CD1 4.03Å; F1048-L1056 HydrophobicContact CE2-CD1 3.89Å; F1048-L1056 HydrophobicContact CG-CD1 3.63Å; F1048-L1056 HydrophobicContact CZ-CD1 4.09Å; L1056-C1059 PolarHBondContact O-N 3.47Å; L1056-H1060 WeakPolarHBondContact O-CB 3.34Å; L1056-H1060 PolarHBondContact O-N 3.45Å; L1056-I1064 HydrophobicContact CD1-CD1 3.87Å; L1056-I1064 HydrophobicContact CD2-CD1 3.63Å; L1056-I1064 HydrophobicContact CG-CD1 3.73Å; L1056-L1088 HydrophobicContact CD1-CD1 3.78Å; L1056-L1088 HydrophobicContact CD2-CD1 4.08Å; L1056-L1088 HydrophobicContact CD2-CD2 3.8Å
1057L90.4Very high89Confident58 Ų5849.9 Ų49.930%0.30430%0.302SS..Hα-helixtrans-64.2-36.4172.5-176.469.9000113.6M1022 S1055 C1059 H1060 P1061M1022-L1057 HydrophobicContact CE-CB 4.31Å; M1022-L1057 HydrophobicContact CE-CD1 4.4Å; S1055-L1057 PolarHBondContact O-N 3.31Å; L1057-C1059 VanDerWaalsContact C-N 3.3Å; L1057-C1059 PolarHBondContact O-N 2.98Å; L1057-H1060 CarbonylContact O-C 3.57Å; L1057-H1060 VanDerWaalsContact O-C 3.3Å; L1057-H1060 PolarHBondContact O-N 3.02Å; L1057-P1061 WeakPolarHBondContact O-CA 3.26Å; L1057-P1061 VanDerWaalsContact O-N 3.09Å
1058S87.5Confident88.6Confident85 Ų8552.4 Ų52.459%0.59432%0.318SS*.Hα-helixtrans-66.6-33.9177.1-168.10000112S1055S1055-S1058 WeakPolarHBondContact O-CB 3.43Å; S1055-S1058 PolarHBondContact O-N 2.92Å
1059C86.9Confident88.1Confident28 Ų2856.2 Ų56.219%0.18935%0.35CS..Hα-helixtrans-85.8-25.4178.5-62.90000113F1048 T1054 S1055 L1056 L1057 N1071F1048-C1059 HydrophobicContact CE1-CB 4.04Å; F1048-C1059 HydrophobicContact CZ-CB 3.76Å; T1054-C1059 PolarHBondContact OG1-SG 3.37Å; T1054-C1059 VanDerWaalsContact OG1-SG 3.39Å; S1055-C1059 PolarHBondContact O-N 3.26Å; L1056-C1059 PolarHBondContact O-N 3.47Å; L1057-C1059 VanDerWaalsContact C-N 3.3Å; L1057-C1059 PolarHBondContact O-N 2.98Å; C1059-N1071 HydrophobicContact CB-CB 4.4Å; C1059-N1071 PolarHBondContact O-ND2 3.01Å
1060H88.9Confident87.8Confident10 Ų1056 Ų565%0.04635%0.35CS..  trans-133.866.3-178.8-61.9-75.7000112.2M1022 L1056 L1057 A1062 G1063 I1064 A1069 N1071M1022-H1060 HydrophobicContact CE-CB 4.2Å; L1056-H1060 WeakPolarHBondContact O-CB 3.34Å; L1056-H1060 PolarHBondContact O-N 3.45Å; L1057-H1060 CarbonylContact O-C 3.57Å; L1057-H1060 VanDerWaalsContact O-C 3.3Å; L1057-H1060 PolarHBondContact O-N 3.02Å; H1060-A1062 PolarHBondContact O-N 3.27Å; H1060-A1062 VanDerWaalsContact O-N 3.12Å; H1060-G1063 WeakPolarHBondContact O-CA 3.16Å; H1060-G1063 PolarHBondContact O-N 3.07Å; H1060-I1064 HydrophobicContact CB-CG1 4.02Å; H1060-A1069 PolarHBondContact CE1-O 2.94Å; H1060-N1071 VanDerWaalsContact CE1-CG 3.44Å; H1060-N1071 PolarHBondContact CE1-N 3.02Å; H1060-N1071 PolarHBondContact CE1-ND2 3.12Å; H1060-N1071 VanDerWaalsContact CE1-ND2 3.27Å; H1060-N1071 PolarHBondContact NE2-N 2.95Å
1061P86.6Confident87.6Confident108 Ų10860.5 Ų60.570%0.70137%0.373SS*.THydrogen-bonded Turntrans-68.2-11.8-177.627.8-36.6000114.2L1057L1057-P1061 WeakPolarHBondContact O-CA 3.26Å; L1057-P1061 VanDerWaalsContact O-N 3.09Å
1062A85.2Confident87.3Confident106 Ų10660.6 Ų60.688%0.87637%0.374SS*.THydrogen-bonded Turntrans-90.9217100000113.3H1060H1060-A1062 PolarHBondContact O-N 3.27Å; H1060-A1062 VanDerWaalsContact O-N 3.12Å
1063G86.5Confident87.1Confident24 Ų2462.3 Ų62.325%0.24739%0.385CS..  trans80.6169.5-171.300000114.1H1060H1060-G1063 WeakPolarHBondContact O-CA 3.16Å; H1060-G1063 PolarHBondContact O-N 3.07Å
1064I87.8Confident86.8Confident16 Ų1668.7 Ų68.78%0.08240%0.4CS..  trans-101.6129.6171.9-66.4163.1000108.4W1041 L1056 H1060 T1068 L1070 Y1090W1041-I1064 HydrophobicContact CH2-CB 3.96Å; W1041-I1064 HydrophobicContact CH2-CD1 4.1Å; W1041-I1064 HydrophobicContact CH2-CG2 3.82Å; W1041-I1064 HydrophobicContact CZ2-CD1 4.3Å; W1041-I1064 HydrophobicContact CZ3-CG2 4.45Å; L1056-I1064 HydrophobicContact CD1-CD1 3.87Å; L1056-I1064 HydrophobicContact CD2-CD1 3.63Å; L1056-I1064 HydrophobicContact CG-CD1 3.73Å; H1060-I1064 HydrophobicContact CB-CG1 4.02Å; I1064-T1068 HydrophobicContact CG1-CG2 4.26Å; I1064-L1070 HydrophobicContact CD1-CD2 3.7Å; I1064-L1070 HydrophobicContact CG1-CD2 4.25Å; I1064-Y1090 WeakPolarHBondContact O-CD2 3.14Å; I1064-Y1090 WeakPolarHBondContact O-CE2 3.36Å
1065G86.8Confident86.5Confident25 Ų2570.2 Ų70.226%0.25841%0.411SS..  trans-123.6178.4172.900000111.4H1067 T1068G1065-H1067 PolarHBondContact O-N 3.34Å; G1065-T1068 PolarHBondContact N-OG1 2.68Å; G1065-T1068 PolarHBondContact O-N 3.4Å
1066R84.9Confident86.4Confident197 Ų19769.2 Ų69.274%0.74340%0.404SS*.THydrogen-bonded Turntrans-51.9-15.7-178.5-63.2179.4-175.9153.52.2116.5Y1090R1066-Y1090 HydrophobicContact CB-CD1 4.46Å; R1066-Y1090 HydrophobicContact CG-CD1 3.38Å; R1066-Y1090 HydrophobicContact CG-CE1 3.85Å; R1066-Y1090 HydrophobicContact CG-CG 4.1Å
1067H83.9Confident86.6Confident184 Ų18470.7 Ų70.785%0.85241%0.414SS*.THydrogen-bonded Turntrans-13213.7-176.6-51.6-41.2000112.4G1065 A1069G1065-H1067 PolarHBondContact O-N 3.34Å; H1067-A1069 PolarHBondContact O-N 2.89Å
1068T87.5Confident86.8Confident55 Ų5575.4 Ų75.434%0.33744%0.435SS..  trans-81114.7173.9-590000108.7I1064 G1065I1064-T1068 HydrophobicContact CG1-CG2 4.26Å; G1065-T1068 PolarHBondContact N-OG1 2.68Å; G1065-T1068 PolarHBondContact O-N 3.4Å
1069A85.8Confident87.1Confident80 Ų8075.9 Ų75.966%0.66143%0.428SS*.  trans-68.4142.7165.700000109.8H1060 H1067H1060-A1069 PolarHBondContact CE1-O 2.94Å; H1067-A1069 PolarHBondContact O-N 2.89Å
1070L88.2Confident87.5Confident30 Ų3074.5 Ų74.516%0.15742%0.418CS..  trans-79.9133.4178.7-60.6176000110.7I1064 I1072 E1085 L1088I1064-L1070 HydrophobicContact CD1-CD2 3.7Å; I1064-L1070 HydrophobicContact CG1-CD2 4.25Å; L1070-I1072 VanDerWaalsContact C-N 3.3Å; L1070-I1072 HydrophobicContact CB-CD1 3.91Å; L1070-I1072 HydrophobicContact CB-CG1 3.94Å; L1070-I1072 HydrophobicContact CD1-CD1 4.12Å; L1070-I1072 PolarHBondContact O-N 3.48Å; L1070-I1072 VanDerWaalsContact O-N 3.09Å; L1070-E1085 HydrophobicContact CD1-CG 4.14Å; L1070-L1088 HydrophobicContact CD1-CB 3.86Å; L1070-L1088 HydrophobicContact CD1-CD1 4.16Å; L1070-L1088 HydrophobicContact CD2-CB 4.29Å; L1070-L1088 HydrophobicContact CD2-CD1 4.45Å
1071N86.8Confident87.8Confident99 Ų9976.6 Ų76.653%0.52943%0.426SS..  trans-87.668.8179.8-68.8-30.3000109.4C1059 H1060 P1073C1059-N1071 HydrophobicContact CB-CB 4.4Å; C1059-N1071 PolarHBondContact O-ND2 3.01Å; H1060-N1071 VanDerWaalsContact CE1-CG 3.44Å; H1060-N1071 PolarHBondContact CE1-N 3.02Å; H1060-N1071 PolarHBondContact CE1-ND2 3.12Å; H1060-N1071 VanDerWaalsContact CE1-ND2 3.27Å; H1060-N1071 PolarHBondContact NE2-N 2.95Å; N1071-P1073 WeakPolarHBondContact O-CD 3.18Å
1072I87.8Confident88.3Confident20 Ų2073.5 Ų73.510%0.10341%0.407CS..  trans-88.3118-178.6-62.6166.5000109.5F1048 L1070 V1076 R1081 L1084 E1085F1048-I1072 HydrophobicContact CD2-CG1 4.27Å; F1048-I1072 HydrophobicContact CE2-CG1 3.84Å; L1070-I1072 VanDerWaalsContact C-N 3.3Å; L1070-I1072 HydrophobicContact CB-CD1 3.91Å; L1070-I1072 HydrophobicContact CB-CG1 3.94Å; L1070-I1072 HydrophobicContact CD1-CD1 4.12Å; L1070-I1072 PolarHBondContact O-N 3.48Å; L1070-I1072 VanDerWaalsContact O-N 3.09Å; I1072-V1076 HydrophobicContact CG2-CB 3.8Å; I1072-V1076 HydrophobicContact CG2-CG1 4.02Å; I1072-V1076 HydrophobicContact CG2-CG2 3.96Å; I1072-R1081 HydrophobicContact CB-CG 4.31Å; I1072-R1081 HydrophobicContact CD1-CG 3.86Å; I1072-R1081 HydrophobicContact CG2-CB 4.25Å; I1072-R1081 HydrophobicContact CG2-CG 4.06Å; I1072-L1084 HydrophobicContact CD1-CB 3.84Å; I1072-L1084 HydrophobicContact CD1-CD1 4.14Å; I1072-L1084 HydrophobicContact CG1-CD1 4.39Å; I1072-E1085 HydrophobicContact CD1-CG 4.04Å
1073P84.4Confident88.9Confident47 Ų4768.5 Ų68.531%0.30537%0.366SS..  trans-54.5154.6178.1-27.435.7000114.4T1052 N1071 C1075 V1076 R1081T1052-P1073 HydrophobicContact CG2-CG 4.04Å; N1071-P1073 WeakPolarHBondContact O-CD 3.18Å; P1073-C1075 PolarHBondContact O-N 3.28Å; P1073-V1076 PolarHBondContact O-N 3.18Å; P1073-R1081 PolarHBondContact O-NH2 3.31Å
1074E80.8Confident89.4Confident192 Ų19267.4 Ų67.490%0.89735%0.354SS*.THydrogen-bonded Turntrans-66.6-21.6-179.5-65.3-176176.100113.7V1076E1074-V1076 PolarHBondContact O-N 3.15Å
1075C80.1Confident89.7Confident82 Ų8270.6 Ų70.655%0.55437%0.368SS*.THydrogen-bonded Turntrans-71.2-10.4177.458.60000114.6P1073P1073-C1075 PolarHBondContact O-N 3.28Å
1076V88.5Confident90.1Very high8 Ų872.6 Ų72.65%0.04837%0.371CS..SBendtrans-84.6135.9174.7-177.50000109.9L1051 T1052 I1072 P1073 E1074 A1080 R1081L1051-V1076 HydrophobicContact CB-CG2 4.36Å; L1051-V1076 HydrophobicContact CD1-CG1 4.5Å; T1052-V1076 HydrophobicContact CG2-CG2 4.11Å; I1072-V1076 HydrophobicContact CG2-CB 3.8Å; I1072-V1076 HydrophobicContact CG2-CG1 4.02Å; I1072-V1076 HydrophobicContact CG2-CG2 3.96Å; P1073-V1076 PolarHBondContact O-N 3.18Å; E1074-V1076 PolarHBondContact O-N 3.15Å; V1076-A1080 HydrophobicContact CG1-CB 3.62Å; V1076-R1081 VanDerWaalsContact O-CZ 3.3Å; V1076-R1081 PolarHBondContact O-NH1 2.83Å; V1076-R1081 PolarHBondContact O-NH2 3.15Å
1077S93.1Very high90.7Very high31 Ų3163.2 Ų63.222%0.21734%0.336CS..  trans-60.4161.7178.662.90000113E959 E1079 A1080 R1081E959-S1077 PolarHBondContact OE1-OG 2.97Å; E959-S1077 VanDerWaalsContact OE2-CB 3.24Å; E959-S1077 WeakPolarHBondContact OE2-CB 3.42Å; E959-S1077 PolarHBondContact OE2-OG 3.44Å; S1077-E1079 VanDerWaalsContact C-N 3.32Å; S1077-A1080 PolarHBondContact O-N 3.45Å; S1077-A1080 WeakPolarHBondContact OG-CB 3.46Å; S1077-A1080 PolarHBondContact OG-N 3.19Å; S1077-A1080 VanDerWaalsContact OG-N 3.07Å; S1077-R1081 WeakPolarHBondContact O-CB 3.35Å; S1077-R1081 PolarHBondContact O-N 3.17Å; S1077-R1081 PolarHBondContact O-NH1 2.94Å
1078E94.1Very high91.2Very high157 Ų15754.7 Ų54.773%0.73430%0.296SS*.Hα-helixtrans-67-36.8177.2-65.9-172.7-178.600111.2S1082E1078-S1082 VanDerWaalsContact O-CB 3.24Å; E1078-S1082 WeakPolarHBondContact O-CB 3.44Å; E1078-S1082 PolarHBondContact O-N 3.26Å
1079E95.1Very high91.5Very high94 Ų9455.6 Ų55.644%0.43930%0.297SS..Hα-helixtrans-63.2-48.7174.3-63.380.4178.700111.5S1077 S1082 L1083 H1109 P1110 F1111S1077-E1079 VanDerWaalsContact C-N 3.32Å; E1079-S1082 PolarHBondContact O-N 3.05Å; E1079-L1083 PolarHBondContact O-N 2.92Å; E1079-H1109 PolarHBondContact O-CE1 3.37Å; E1079-P1110 HydrophobicContact CB-CB 4.5Å; E1079-P1110 HydrophobicContact CG-CB 4Å; E1079-F1111 HydrophobicContact CB-CB 4.32Å
1080A95.3Very high91.8Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-67.9-41178.100000112.1L1051 V1076 S1077 S1082 L1083 L1084 F1111L1051-A1080 HydrophobicContact CD1-CB 3.9Å; L1051-A1080 HydrophobicContact CD2-CB 4.48Å; V1076-A1080 HydrophobicContact CG1-CB 3.62Å; S1077-A1080 PolarHBondContact O-N 3.45Å; S1077-A1080 WeakPolarHBondContact OG-CB 3.46Å; S1077-A1080 PolarHBondContact OG-N 3.19Å; S1077-A1080 VanDerWaalsContact OG-N 3.07Å; A1080-S1082 PolarHBondContact O-N 2.88Å; A1080-L1083 PolarHBondContact O-N 3.25Å; A1080-L1084 WeakPolarHBondContact O-CG 3.04Å; A1080-L1084 PolarHBondContact O-N 3.42Å; A1080-F1111 HydrophobicContact CB-CD2 3.71Å; A1080-F1111 HydrophobicContact CB-CE2 3.71Å
1081R95.6Very high91.9Very high53 Ų5356.6 Ų56.620%0.229%0.286CS..Hα-helixtrans-58-47.2173.8-179.2177.3-63.490.18111.2I1072 P1073 V1076 S1077 L1083 L1084 E1085I1072-R1081 HydrophobicContact CB-CG 4.31Å; I1072-R1081 HydrophobicContact CD1-CG 3.86Å; I1072-R1081 HydrophobicContact CG2-CB 4.25Å; I1072-R1081 HydrophobicContact CG2-CG 4.06Å; P1073-R1081 PolarHBondContact O-NH2 3.31Å; V1076-R1081 VanDerWaalsContact O-CZ 3.3Å; V1076-R1081 PolarHBondContact O-NH1 2.83Å; V1076-R1081 PolarHBondContact O-NH2 3.15Å; S1077-R1081 WeakPolarHBondContact O-CB 3.35Å; S1077-R1081 PolarHBondContact O-N 3.17Å; S1077-R1081 PolarHBondContact O-NH1 2.94Å; R1081-L1083 VanDerWaalsContact C-N 3.32Å; R1081-L1083 PolarHBondContact O-N 3.44Å; R1081-L1084 PolarHBondContact O-N 2.68Å; R1081-E1085 WeakPolarHBondContact CG-OE1 3.31Å; R1081-E1085 WeakPolarHBondContact O-CB 3.27Å; R1081-E1085 WeakPolarHBondContact O-CG 3.43Å; R1081-E1085 PolarHBondContact O-N 2.67Å
1082S96.4Very high92.2Very high43 Ų4352.8 Ų52.830%0.30127%0.266SS..Hα-helixtrans-65.3-32.8178.2-168.80000113E1078 E1079 A1080 Q1086 H1109E1078-S1082 VanDerWaalsContact O-CB 3.24Å; E1078-S1082 WeakPolarHBondContact O-CB 3.44Å; E1078-S1082 PolarHBondContact O-N 3.26Å; E1079-S1082 PolarHBondContact O-N 3.05Å; A1080-S1082 PolarHBondContact O-N 2.88Å; S1082-Q1086 VanDerWaalsContact O-CG 3.26Å; S1082-Q1086 WeakPolarHBondContact O-CG 3.11Å; S1082-Q1086 PolarHBondContact O-N 2.78Å; S1082-Q1086 PolarHBondContact O-NE2 2.78Å; S1082-Q1086 PolarHBondContact OG-NE2 2.94Å; S1082-H1109 WeakPolarHBondContact CB-NE2 3.41Å; S1082-H1109 PolarHBondContact O-NE2 3.49Å; S1082-H1109 PolarHBondContact OG-NE2 3.19Å
1083L97.3Very high92.3Very high2 Ų258.1 Ų58.11%0.0129%0.292CS..Hα-helixtrans-66.8-47.6173.1-179.561000111.2L1047 E1079 A1080 R1081 E1085 Q1086 L1087 L1096 H1109 F1111 F1112L1047-L1083 HydrophobicContact CD1-CD2 4.06Å; E1079-L1083 PolarHBondContact O-N 2.92Å; A1080-L1083 PolarHBondContact O-N 3.25Å; R1081-L1083 VanDerWaalsContact C-N 3.32Å; R1081-L1083 PolarHBondContact O-N 3.44Å; L1083-E1085 PolarHBondContact O-N 3.11Å; L1083-Q1086 PolarHBondContact O-N 3.36Å; L1083-L1087 HydrophobicContact CD1-CD1 3.78Å; L1083-L1087 HydrophobicContact CD1-CG 4.02Å; L1083-L1087 HydrophobicContact CD2-CD1 4.42Å; L1083-L1087 HydrophobicContact CG-CD1 3.79Å; L1083-L1087 HydrophobicContact CG-CG 4.39Å; L1083-L1087 WeakPolarHBondContact O-CG 3.29Å; L1083-L1087 PolarHBondContact O-N 3.38Å; L1083-L1096 HydrophobicContact CD1-CD2 3.79Å; L1083-H1109 VanDerWaalsContact CB-CE1 3.48Å; L1083-H1109 WeakPolarHBondContact CB-CE1 3.23Å; L1083-H1109 HydrophobicContact CD1-CB 4.38Å; L1083-H1109 PolarHBondContact N-CE1 3Å; L1083-H1109 PolarHBondContact N-NE2 2.84Å; L1083-F1111 HydrophobicContact CB-CB 4.33Å; L1083-F1111 HydrophobicContact CD2-CB 3.97Å; L1083-F1111 HydrophobicContact CD2-CD1 3.39Å; L1083-F1111 HydrophobicContact CD2-CE1 3.94Å; L1083-F1111 HydrophobicContact CD2-CG 3.72Å; L1083-F1112 HydrophobicContact CD1-CE2 4.27Å; L1083-F1112 HydrophobicContact CD2-CE2 3.73Å; L1083-F1112 HydrophobicContact CD2-CZ 4.02Å
1084L96.6Very high92.7Very high1 Ų162 Ų621%0.00531%0.307CS..Hα-helixtrans-60.8-44.3178-67.4176.6000111.7G1044 L1047 F1048 L1051 I1072 A1080 R1081 Q1086 L1087 L1088G1044-L1084 WeakPolarHBondContact O-CD2 3.34Å; L1047-L1084 HydrophobicContact CB-CD2 3.79Å; F1048-L1084 HydrophobicContact CB-CD1 4.42Å; F1048-L1084 HydrophobicContact CB-CD2 4.05Å; F1048-L1084 HydrophobicContact CD2-CD1 4.14Å; L1051-L1084 HydrophobicContact CD1-CD1 3.9Å; L1051-L1084 HydrophobicContact CD1-CD2 4.32Å; L1051-L1084 HydrophobicContact CD1-CG 4.21Å; I1072-L1084 HydrophobicContact CD1-CB 3.84Å; I1072-L1084 HydrophobicContact CD1-CD1 4.14Å; I1072-L1084 HydrophobicContact CG1-CD1 4.39Å; A1080-L1084 WeakPolarHBondContact O-CG 3.04Å; A1080-L1084 PolarHBondContact O-N 3.42Å; R1081-L1084 PolarHBondContact O-N 2.68Å; L1084-Q1086 VanDerWaalsContact C-N 3.26Å; L1084-Q1086 PolarHBondContact O-N 2.83Å; L1084-L1087 PolarHBondContact O-N 3.42Å; L1084-L1088 WeakPolarHBondContact O-CB 3.38Å; L1084-L1088 PolarHBondContact O-N 3.41Å
1085E95.3Very high93.3Very high82 Ų8253.1 Ų53.138%0.38327%0.265SS..Hα-helixtrans-60.8-31.2176.7-75.1172.6-175.500113.3L1070 I1072 R1081 L1083 Q1089L1070-E1085 HydrophobicContact CD1-CG 4.14Å; I1072-E1085 HydrophobicContact CD1-CG 4.04Å; R1081-E1085 WeakPolarHBondContact CG-OE1 3.31Å; R1081-E1085 WeakPolarHBondContact O-CB 3.27Å; R1081-E1085 WeakPolarHBondContact O-CG 3.43Å; R1081-E1085 PolarHBondContact O-N 2.67Å; L1083-E1085 PolarHBondContact O-N 3.11Å; E1085-Q1089 WeakPolarHBondContact O-CG 3.44Å; E1085-Q1089 PolarHBondContact O-NE2 3.2Å
1086Q95.6Very high94Very high67 Ų6750.2 Ų50.231%0.31324%0.244SC..Hα-helixtrans-89.2-28.3179.4-66.11737300113.1S1082 L1083 L1084 L1096 H1109S1082-Q1086 VanDerWaalsContact O-CG 3.26Å; S1082-Q1086 WeakPolarHBondContact O-CG 3.11Å; S1082-Q1086 PolarHBondContact O-N 2.78Å; S1082-Q1086 PolarHBondContact O-NE2 2.78Å; S1082-Q1086 PolarHBondContact OG-NE2 2.94Å; L1083-Q1086 PolarHBondContact O-N 3.36Å; L1084-Q1086 VanDerWaalsContact C-N 3.26Å; L1084-Q1086 PolarHBondContact O-N 2.83Å; Q1086-L1096 HydrophobicContact CB-CB 3.97Å; Q1086-L1096 HydrophobicContact CB-CD2 4.3Å; Q1086-L1096 PolarHBondContact O-N 2.75Å; Q1086-H1109 PolarHBondContact NE2-NE2 2.97Å
1087L96.6Very high94.1Very high0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-80-35.3174.5-70.7174.2000113.1W1040 L1043 L1047 L1083 L1084 Q1089 R1095 L1096 I1106W1040-L1087 HydrophobicContact CB-CD2 4.04Å; L1043-L1087 HydrophobicContact CD2-CD1 4.22Å; L1043-L1087 HydrophobicContact CG-CD1 4.27Å; L1047-L1087 HydrophobicContact CD1-CD1 4.18Å; L1083-L1087 HydrophobicContact CD1-CD1 3.78Å; L1083-L1087 HydrophobicContact CD1-CG 4.02Å; L1083-L1087 HydrophobicContact CD2-CD1 4.42Å; L1083-L1087 HydrophobicContact CG-CD1 3.79Å; L1083-L1087 HydrophobicContact CG-CG 4.39Å; L1083-L1087 WeakPolarHBondContact O-CG 3.29Å; L1083-L1087 PolarHBondContact O-N 3.38Å; L1084-L1087 PolarHBondContact O-N 3.42Å; L1087-Q1089 PolarHBondContact O-N 3.09Å; L1087-R1095 WeakPolarHBondContact O-CD 3.29Å; L1087-R1095 WeakPolarHBondContact O-CG 3.44Å; L1087-L1096 HydrophobicContact CD2-CB 4.09Å; L1087-I1106 HydrophobicContact CD2-CD1 4.24Å
1088L95.6Very high93.9Very high6 Ų650.3 Ų50.33%0.03125%0.248CC..SBendtrans-90.832.4-178.9-67.8172.1000113.1W1041 A1045 F1048 L1056 L1070 L1084W1041-L1088 HydrophobicContact CD2-CD2 3.81Å; W1041-L1088 HydrophobicContact CE3-CD2 4.09Å; W1041-L1088 HydrophobicContact CG-CD2 4.25Å; W1041-L1088 HydrophobicContact CH2-CD2 4.42Å; W1041-L1088 HydrophobicContact CZ2-CD2 4.15Å; W1041-L1088 HydrophobicContact CZ3-CB 4.39Å; W1041-L1088 HydrophobicContact CZ3-CD2 4.38Å; W1041-L1088 VanDerWaalsContact CZ3-O 3.27Å; W1041-L1088 WeakPolarHBondContact CZ3-O 3.37Å; A1045-L1088 HydrophobicContact CB-CD2 4.24Å; F1048-L1088 HydrophobicContact CB-CD1 4.27Å; F1048-L1088 HydrophobicContact CD2-CD1 4.27Å; L1056-L1088 HydrophobicContact CD1-CD1 3.78Å; L1056-L1088 HydrophobicContact CD2-CD1 4.08Å; L1056-L1088 HydrophobicContact CD2-CD2 3.8Å; L1070-L1088 HydrophobicContact CD1-CB 3.86Å; L1070-L1088 HydrophobicContact CD1-CD1 4.16Å; L1070-L1088 HydrophobicContact CD2-CB 4.29Å; L1070-L1088 HydrophobicContact CD2-CD1 4.45Å; L1084-L1088 WeakPolarHBondContact O-CB 3.38Å; L1084-L1088 PolarHBondContact O-N 3.41Å
1089Q93.7Very high93.4Very high73 Ų7344.9 Ų44.934%0.34124%0.235SC..  trans-73.5127.7172.4-73.2-60.9-28.300111.6E1085 L1087 N1091 R1095E1085-Q1089 WeakPolarHBondContact O-CG 3.44Å; E1085-Q1089 PolarHBondContact O-NE2 3.2Å; L1087-Q1089 PolarHBondContact O-N 3.09Å; Q1089-N1091 VanDerWaalsContact C-N 3.31Å; Q1089-N1091 PolarHBondContact O-N 2.98Å; Q1089-R1095 HydrophobicContact CB-CB 4.15Å; Q1089-R1095 HydrophobicContact CB-CG 4.29Å; Q1089-R1095 PolarHBondContact O-NE 3.12Å; Q1089-R1095 PolarHBondContact O-NH2 3.02Å
1090Y91.6Very high92.8Very high79 Ų7948.1 Ų48.131%0.3126%0.26SS..SBendtrans-64.8-34.2-178.6-175.3-85.1000112.5P1026 I1064 R1066 P1092P1026-Y1090 HydrophobicContact CB-CD2 4.01Å; P1026-Y1090 HydrophobicContact CB-CE2 3.6Å; P1026-Y1090 HydrophobicContact CG-CD2 3.76Å; P1026-Y1090 HydrophobicContact CG-CE2 3.84Å; I1064-Y1090 WeakPolarHBondContact O-CD2 3.14Å; I1064-Y1090 WeakPolarHBondContact O-CE2 3.36Å; R1066-Y1090 HydrophobicContact CB-CD1 4.46Å; R1066-Y1090 HydrophobicContact CG-CD1 3.38Å; R1066-Y1090 HydrophobicContact CG-CE1 3.85Å; R1066-Y1090 HydrophobicContact CG-CG 4.1Å; Y1090-P1092 WeakPolarHBondContact O-CD 3.47Å
1091N90.7Very high92.2Very high52 Ų5249.7 Ų49.728%0.27828%0.276SS..SBendtrans-83.4115.9174-177.2-1000109.5Q1089 M1093 E1094 R1095Q1089-N1091 VanDerWaalsContact C-N 3.31Å; Q1089-N1091 PolarHBondContact O-N 2.98Å; N1091-M1093 PolarHBondContact O-N 3.39Å; N1091-M1093 PolarHBondContact OD1-N 2.83Å; N1091-M1093 VanDerWaalsContact OD1-N 3.15Å; N1091-E1094 HydrophobicContact CB-CB 4.13Å; N1091-E1094 HydrophobicContact CB-CG 4.17Å; N1091-E1094 WeakPolarHBondContact CB-OE2 3.41Å; N1091-E1094 PolarHBondContact ND2-OE1 3.47Å; N1091-E1094 PolarHBondContact O-N 3.35Å; N1091-R1095 PolarHBondContact O-N 2.9Å
1092P91.8Very high92Very high19 Ų1948 Ų4812%0.12328%0.276CS..THydrogen-bonded Turntrans-64.6-11.1-178.426.5-35.7000114.4S1037 Y1090 A1098S1037-P1092 WeakPolarHBondContact CB-O 3.29Å; S1037-P1092 PolarHBondContact OG-O 2.85Å; S1037-P1092 VanDerWaalsContact OG-O 3.08Å; Y1090-P1092 WeakPolarHBondContact O-CD 3.47Å; P1092-A1098 WeakPolarHBondContact O-CB 3.47Å
1093M90.8Very high91.9Very high132 Ų13247 Ų4765%0.6527%0.268SS*.THydrogen-bonded Turntrans-93.3-12.2175.7-59.1-67.6155.100113.7T1035 N1091T1035-M1093 HydrophobicContact CG2-CE 4.42Å; N1091-M1093 PolarHBondContact O-N 3.39Å; N1091-M1093 PolarHBondContact OD1-N 2.83Å; N1091-M1093 VanDerWaalsContact OD1-N 3.15Å
1094E91.4Very high91.7Very high129 Ų12951.4 Ų51.460%0.60329%0.291SS*.THydrogen-bonded Turntrans-103.4-1.9175.8-70.3158.7-160.200111.7N1091N1091-E1094 HydrophobicContact CB-CB 4.13Å; N1091-E1094 HydrophobicContact CB-CG 4.17Å; N1091-E1094 WeakPolarHBondContact CB-OE2 3.41Å; N1091-E1094 PolarHBondContact ND2-OE1 3.47Å; N1091-E1094 PolarHBondContact O-N 3.35Å
1095R94.8Very high91.6Very high5 Ų554.2 Ų54.22%0.01931%0.306CS..SBendtrans-80141.9-176.2-159.7177.5-64.1150.62.4111.6E1027 S1037 L1087 Q1089 N1091 G1097 A1098E1027-R1095 IonicContact OE1-CZ 2.74Å; E1027-R1095 IonicContact OE1-NH1 3.22Å; E1027-R1095 PolarHBondContact OE1-NH1 2.92Å; E1027-R1095 IonicContact OE1-NH2 2.69Å; E1027-R1095 PolarHBondContact OE1-NH2 3.45Å; E1027-R1095 IonicContact OE2-CZ 3.13Å; E1027-R1095 IonicContact OE2-NH1 2.67Å; E1027-R1095 IonicContact OE2-NH2 2.71Å; E1027-R1095 PolarHBondContact OE2-NH2 2.78Å; S1037-R1095 VanDerWaalsContact C-NH1 3.27Å; S1037-R1095 WeakPolarHBondContact O-CD 3.31Å; S1037-R1095 PolarHBondContact O-NH1 3.16Å; L1087-R1095 WeakPolarHBondContact O-CD 3.29Å; L1087-R1095 WeakPolarHBondContact O-CG 3.44Å; Q1089-R1095 HydrophobicContact CB-CB 4.15Å; Q1089-R1095 HydrophobicContact CB-CG 4.29Å; Q1089-R1095 PolarHBondContact O-NE 3.12Å; Q1089-R1095 PolarHBondContact O-NH2 3.02Å; N1091-R1095 PolarHBondContact O-N 2.9Å; R1095-G1097 PolarHBondContact O-N 3.04Å; R1095-A1098 WeakPolarHBondContact O-CB 3.49Å; R1095-A1098 PolarHBondContact O-N 3.41Å
1096L94.7Very high91.6Very high22 Ų2250.3 Ų50.312%0.11529%0.288CS..THydrogen-bonded Turntrans-58.2137.6171.8-157.866.4000109.7L1083 Q1086 L1087 D1105 I1106 H1109L1083-L1096 HydrophobicContact CD1-CD2 3.79Å; Q1086-L1096 HydrophobicContact CB-CB 3.97Å; Q1086-L1096 HydrophobicContact CB-CD2 4.3Å; Q1086-L1096 PolarHBondContact O-N 2.75Å; L1087-L1096 HydrophobicContact CD2-CB 4.09Å; L1096-D1105 HydrophobicContact CD1-CB 3.99Å; L1096-I1106 HydrophobicContact CB-CG1 4.37Å; L1096-I1106 HydrophobicContact CD2-CB 4.44Å; L1096-I1106 HydrophobicContact CD2-CG1 3.99Å; L1096-I1106 HydrophobicContact CG-CG1 3.77Å; L1096-H1109 HydrophobicContact CD2-CB 4.48Å
1097G91.1Very high91.6Very high10 Ų1049.2 Ų49.210%0.10328%0.282CS..THydrogen-bonded Turntrans89.4-11.5-171.500000115.6R1095 G1102R1095-G1097 PolarHBondContact O-N 3.04Å; G1097-G1102 WeakPolarHBondContact CA-O 3.32Å
1098A88.6Confident91.5Very high31 Ų3153.6 Ų53.626%0.25631%0.313SS..SBendtrans-92.6-10.9176.400000114.3S1037 P1092 R1095S1037-A1098 VanDerWaalsContact OG-CB 3.26Å; S1037-A1098 WeakPolarHBondContact OG-CB 3.26Å; P1092-A1098 WeakPolarHBondContact O-CB 3.47Å; R1095-A1098 WeakPolarHBondContact O-CB 3.49Å; R1095-A1098 PolarHBondContact O-N 3.41Å
1099G82.9Confident91.5Very high43 Ų4353.8 Ų53.844%0.44331%0.314SS..SBendtrans-75-176.8-176.100000114.2G1101 G1102G1099-G1101 VanDerWaalsContact C-N 3.27Å; G1099-G1101 PolarHBondContact O-N 2.75Å; G1099-G1102 PolarHBondContact O-N 2.76Å
1100V82.5Confident91.7Very high161 Ų16154.2 Ų54.298%0.97632%0.323SS*.THydrogen-bonded Turntrans-69.7-23.8177.9-178.80000112.2G1102V1100-G1102 VanDerWaalsContact C-N 3.34Å
1101G83.4Confident91.9Very high33 Ų3350.7 Ų50.734%0.3431%0.309SS..THydrogen-bonded Turntrans-80.6-15.7169.100000113.2G1099 V1103 D1104 D1105G1099-G1101 VanDerWaalsContact C-N 3.27Å; G1099-G1101 PolarHBondContact O-N 2.75Å; G1101-V1103 PolarHBondContact O-N 3.09Å; G1101-D1104 WeakPolarHBondContact O-CB 3.48Å; G1101-D1104 PolarHBondContact O-N 2.83Å; G1101-D1105 VanDerWaalsContact CA-OD2 3.29Å; G1101-D1105 WeakPolarHBondContact CA-OD2 3.41Å; G1101-D1105 PolarHBondContact N-OD2 3.33Å
1102G90.1Very high92.1Very high18 Ų1848.3 Ų48.319%0.18630%0.296CS..THydrogen-bonded Turntrans54.3-127.4179.100000111.3G1097 G1099 V1100 D1104 D1105G1097-G1102 WeakPolarHBondContact CA-O 3.32Å; G1099-G1102 PolarHBondContact O-N 2.76Å; V1100-G1102 VanDerWaalsContact C-N 3.34Å; G1102-D1104 PolarHBondContact O-N 2.85Å; G1102-D1105 PolarHBondContact N-OD2 3.37Å; G1102-D1105 WeakPolarHBondContact O-CB 3.27Å; G1102-D1105 PolarHBondContact O-N 3.16Å; G1102-D1105 VanDerWaalsContact O-N 3.16Å
1103V93.9Very high92.1Very high22 Ų2251.4 Ų51.413%0.13332%0.323CS..Hα-helixtrans-60.8-26178.2730000113.6V970 D974 W1040 G1101 D1105 I1106 K1107V970-V1103 HydrophobicContact CG1-CG2 3.87Å; D974-V1103 HydrophobicContact CB-CG2 4.13Å; W1040-V1103 HydrophobicContact CH2-CB 4.46Å; W1040-V1103 HydrophobicContact CH2-CG2 3.69Å; W1040-V1103 HydrophobicContact CZ2-CB 4.09Å; W1040-V1103 HydrophobicContact CZ2-CG2 3.81Å; G1101-V1103 PolarHBondContact O-N 3.09Å; V1103-D1105 PolarHBondContact O-N 2.99Å; V1103-I1106 WeakPolarHBondContact O-CA 3.46Å; V1103-I1106 WeakPolarHBondContact O-CB 3.29Å; V1103-I1106 PolarHBondContact O-N 2.87Å; V1103-K1107 HydrophobicContact CG2-CG 4.37Å; V1103-K1107 WeakPolarHBondContact O-CG 3.18Å; V1103-K1107 PolarHBondContact O-N 2.8Å
1104D94.1Very high92Very high94 Ų9450.7 Ų50.750%0.50333%0.327SS..Hα-helixtrans-71.1-23.6-179.5-66.4-18.7000111.4G1101 G1102 I1106 K1107 S1108G1101-D1104 WeakPolarHBondContact O-CB 3.48Å; G1101-D1104 PolarHBondContact O-N 2.83Å; G1102-D1104 PolarHBondContact O-N 2.85Å; D1104-I1106 VanDerWaalsContact C-N 3.26Å; D1104-I1106 PolarHBondContact O-N 2.68Å; D1104-K1107 PolarHBondContact O-N 3.42Å; D1104-K1107 IonicContact OD1-NZ 3.44Å; D1104-K1107 PolarHBondContact OD1-NZ 2.95Å; D1104-S1108 VanDerWaalsContact O-CB 3.3Å; D1104-S1108 WeakPolarHBondContact O-CB 3.45Å; D1104-S1108 PolarHBondContact O-N 3.34Å; D1104-S1108 PolarHBondContact O-OG 2.94Å
1105D93.9Very high92Very high61 Ų6146.2 Ų46.233%0.32631%0.308SS..Hα-helixtrans-66.4-28.8168.7-60.2-37.5000111.3L1096 G1101 G1102 V1103L1096-D1105 HydrophobicContact CD1-CB 3.99Å; G1101-D1105 VanDerWaalsContact CA-OD2 3.29Å; G1101-D1105 WeakPolarHBondContact CA-OD2 3.41Å; G1101-D1105 PolarHBondContact N-OD2 3.33Å; G1102-D1105 PolarHBondContact N-OD2 3.37Å; G1102-D1105 WeakPolarHBondContact O-CB 3.27Å; G1102-D1105 PolarHBondContact O-N 3.16Å; G1102-D1105 VanDerWaalsContact O-N 3.16Å; V1103-D1105 PolarHBondContact O-N 2.99Å
1106I95.8Very high91.6Very high0 Ų053.7 Ų53.70%035%0.348CS..Hα-helixtrans-78.5-50.6172.2-58.2172.2000110.3V970 W1040 L1087 L1096 V1103 D1104 S1108 H1109 F1112V970-I1106 HydrophobicContact CG1-CG2 4.48Å; V970-I1106 HydrophobicContact CG2-CG2 4.16Å; W1040-I1106 HydrophobicContact CB-CD1 4.44Å; W1040-I1106 HydrophobicContact CD2-CD1 3.35Å; W1040-I1106 HydrophobicContact CE3-CD1 3.5Å; W1040-I1106 VanDerWaalsContact CE3-CD1 3.5Å; W1040-I1106 HydrophobicContact CG-CD1 3.78Å; W1040-I1106 HydrophobicContact CH2-CD1 4.22Å; W1040-I1106 HydrophobicContact CZ2-CD1 4.08Å; W1040-I1106 HydrophobicContact CZ3-CD1 3.93Å; L1087-I1106 HydrophobicContact CD2-CD1 4.24Å; L1096-I1106 HydrophobicContact CB-CG1 4.37Å; L1096-I1106 HydrophobicContact CD2-CB 4.44Å; L1096-I1106 HydrophobicContact CD2-CG1 3.99Å; L1096-I1106 HydrophobicContact CG-CG1 3.77Å; V1103-I1106 WeakPolarHBondContact O-CA 3.46Å; V1103-I1106 WeakPolarHBondContact O-CB 3.29Å; V1103-I1106 PolarHBondContact O-N 2.87Å; D1104-I1106 VanDerWaalsContact C-N 3.26Å; D1104-I1106 PolarHBondContact O-N 2.68Å; I1106-S1108 PolarHBondContact O-N 2.92Å; I1106-H1109 VanDerWaalsContact O-CB 3.22Å; I1106-H1109 WeakPolarHBondContact O-CB 3.44Å; I1106-H1109 PolarHBondContact O-N 3.27Å; I1106-F1112 HydrophobicContact CG2-CE2 3.88Å; I1106-F1112 VanDerWaalsContact O-CD2 3.29Å; I1106-F1112 WeakPolarHBondContact O-CD2 3.33Å
1107K95.2Very high91.3Very high43 Ų4354.8 Ų54.819%0.18735%0.351CS..Hα-helixtrans-61.1-28.2-176.5-66.1174.3-170.1156.80113.4V970 D974 V1103 D1104 W1117V970-K1107 HydrophobicContact CG1-CG 4.38Å; D974-K1107 WeakPolarHBondContact OD2-CE 3.36Å; D974-K1107 IonicContact OD2-NZ 3.71Å; D974-K1107 PolarHBondContact OD2-NZ 2.64Å; V1103-K1107 HydrophobicContact CG2-CG 4.37Å; V1103-K1107 WeakPolarHBondContact O-CG 3.18Å; V1103-K1107 PolarHBondContact O-N 2.8Å; D1104-K1107 PolarHBondContact O-N 3.42Å; D1104-K1107 IonicContact OD1-NZ 3.44Å; D1104-K1107 PolarHBondContact OD1-NZ 2.95Å; K1107-W1117 HydrophobicContact CB-CD2 4.09Å; K1107-W1117 HydrophobicContact CB-CG 4.43Å; K1107-W1117 HydrophobicContact CB-CZ2 3.94Å; K1107-W1117 HydrophobicContact CD-CD2 4.15Å; K1107-W1117 HydrophobicContact CD-CE3 4.19Å; K1107-W1117 HydrophobicContact CD-CG 4.48Å; K1107-W1117 HydrophobicContact CG-CD2 3.85Å; K1107-W1117 HydrophobicContact CG-CE3 3.98Å; K1107-W1117 HydrophobicContact CG-CG 4.5Å; K1107-W1117 HydrophobicContact CG-CH2 3.98Å; K1107-W1117 HydrophobicContact CG-CZ2 3.85Å; K1107-W1117 HydrophobicContact CG-CZ3 4.03Å; K1107-W1117 PolarHBondContact O-NE1 2.72Å
1108S94.4Very high90.1Very high92 Ų9259.3 Ų59.364%0.64339%0.387SS*.THydrogen-bonded Turntrans-90.8-0.9178.361.50000114.6D1104 I1106D1104-S1108 VanDerWaalsContact O-CB 3.3Å; D1104-S1108 WeakPolarHBondContact O-CB 3.45Å; D1104-S1108 PolarHBondContact O-N 3.34Å; D1104-S1108 PolarHBondContact O-OG 2.94Å; I1106-S1108 PolarHBondContact O-N 2.92Å
1109H96.6Very high88Confident11 Ų1170.9 Ų70.95%0.05143%0.432CS..SBendtrans-64.5141.4178.8-170.3-81.2000111.7E1079 S1082 L1083 Q1086 L1096 I1106 F1111 F1112E1079-H1109 PolarHBondContact O-CE1 3.37Å; S1082-H1109 WeakPolarHBondContact CB-NE2 3.41Å; S1082-H1109 PolarHBondContact O-NE2 3.49Å; S1082-H1109 PolarHBondContact OG-NE2 3.19Å; L1083-H1109 VanDerWaalsContact CB-CE1 3.48Å; L1083-H1109 WeakPolarHBondContact CB-CE1 3.23Å; L1083-H1109 HydrophobicContact CD1-CB 4.38Å; L1083-H1109 PolarHBondContact N-CE1 3Å; L1083-H1109 PolarHBondContact N-NE2 2.84Å; Q1086-H1109 PolarHBondContact NE2-NE2 2.97Å; L1096-H1109 HydrophobicContact CD2-CB 4.48Å; I1106-H1109 VanDerWaalsContact O-CB 3.22Å; I1106-H1109 WeakPolarHBondContact O-CB 3.44Å; I1106-H1109 PolarHBondContact O-N 3.27Å; H1109-F1111 PolarHBondContact ND1-N 3.12Å; H1109-F1111 PolarHBondContact O-N 3Å; H1109-F1112 HydrophobicContact CB-CD2 4.28Å; H1109-F1112 PolarHBondContact O-N 3.24Å
1110P96.3Very high88.3Confident82 Ų8272.3 Ų72.353%0.53243%0.431SS..G310 helixtrans-49.2-33.6-177.8-32.937.1000116.1E1079 F1112 A1113E1079-P1110 HydrophobicContact CB-CB 4.5Å; E1079-P1110 HydrophobicContact CG-CB 4Å; P1110-F1112 PolarHBondContact O-N 3.45Å; P1110-F1112 VanDerWaalsContact O-N 3.16Å; P1110-A1113 VanDerWaalsContact O-CB 3.23Å; P1110-A1113 WeakPolarHBondContact O-CB 3.18Å; P1110-A1113 PolarHBondContact O-N 3.43Å
1111F96.2Very high88.6Confident4 Ų467.6 Ų67.62%0.01840%0.403CS..G310 helixtrans-57.7-27.5175.6178.9-97000113.4E959 R963 A966 E1079 A1080 L1083 H1109E959-F1111 HydrophobicContact CG-CE2 3.64Å; E959-F1111 HydrophobicContact CG-CZ 4.25Å; E959-F1111 WeakPolarHBondContact OE1-CE2 3.39Å; R963-F1111 HydrophobicContact CB-CE1 3.93Å; R963-F1111 HydrophobicContact CB-CZ 3.85Å; R963-F1111 WeakPolarHBondContact CD-O 3.27Å; R963-F1111 HydrophobicContact CG-CD1 4.22Å; R963-F1111 HydrophobicContact CG-CE1 3.78Å; R963-F1111 HydrophobicContact CG-CZ 4.13Å; R963-F1111 PolarHBondContact NE-O 3.1Å; A966-F1111 HydrophobicContact CB-CE1 4.35Å; E1079-F1111 HydrophobicContact CB-CB 4.32Å; A1080-F1111 HydrophobicContact CB-CD2 3.71Å; A1080-F1111 HydrophobicContact CB-CE2 3.71Å; L1083-F1111 HydrophobicContact CB-CB 4.33Å; L1083-F1111 HydrophobicContact CD2-CB 3.97Å; L1083-F1111 HydrophobicContact CD2-CD1 3.39Å; L1083-F1111 HydrophobicContact CD2-CE1 3.94Å; L1083-F1111 HydrophobicContact CD2-CG 3.72Å; H1109-F1111 PolarHBondContact ND1-N 3.12Å; H1109-F1111 PolarHBondContact O-N 3Å
1112F96.1Very high88.9Confident2 Ų269.6 Ų69.61%0.00941%0.406CS..G310 helixtrans-103.69.3177.9-59-72.8000113.6R963 A966 V967 V970 L1083 I1106 H1109 P1110 T1114 V1115 W1117R963-F1112 HydrophobicContact CG-CD1 4.23Å; A966-F1112 HydrophobicContact CB-CE1 3.76Å; A966-F1112 HydrophobicContact CB-CZ 3.97Å; V967-F1112 HydrophobicContact CG2-CD1 3.69Å; V967-F1112 HydrophobicContact CG2-CE1 3.89Å; V970-F1112 HydrophobicContact CG2-CZ 4.49Å; L1083-F1112 HydrophobicContact CD1-CE2 4.27Å; L1083-F1112 HydrophobicContact CD2-CE2 3.73Å; L1083-F1112 HydrophobicContact CD2-CZ 4.02Å; I1106-F1112 HydrophobicContact CG2-CE2 3.88Å; I1106-F1112 VanDerWaalsContact O-CD2 3.29Å; I1106-F1112 WeakPolarHBondContact O-CD2 3.33Å; H1109-F1112 HydrophobicContact CB-CD2 4.28Å; H1109-F1112 PolarHBondContact O-N 3.24Å; P1110-F1112 PolarHBondContact O-N 3.45Å; P1110-F1112 VanDerWaalsContact O-N 3.16Å; F1112-T1114 PolarHBondContact O-N 3.13Å; F1112-V1115 HydrophobicContact CB-CB 4.5Å; F1112-V1115 HydrophobicContact CB-CG2 4.14Å; F1112-V1115 HydrophobicContact CD1-CG2 4.22Å; F1112-V1115 VanDerWaalsContact O-CB 3.29Å; F1112-V1115 WeakPolarHBondContact O-CB 3.42Å; F1112-V1115 WeakPolarHBondContact O-CG2 3.2Å; F1112-V1115 PolarHBondContact O-N 3.31Å; F1112-W1117 HydrophobicContact CB-CZ2 3.93Å; F1112-W1117 HydrophobicContact CD1-CH2 4.31Å; F1112-W1117 AromaticContact CD1-CZ2 3.83Å; F1112-W1117 HydrophobicContact CD1-CZ2 3.83Å; F1112-W1117 HydrophobicContact CD2-CZ2 4.34Å; F1112-W1117 HydrophobicContact CE1-CH2 4.45Å; F1112-W1117 HydrophobicContact CE1-CZ2 4.38Å; F1112-W1117 AromaticContact CG-CZ2 3.79Å; F1112-W1117 HydrophobicContact CG-CZ2 3.79Å
1113A91.5Very high88.8Confident84 Ų8472.6 Ų72.669%0.69442%0.419SS*.THydrogen-bonded Turntrans-62.5-13.7-173.500000115.3P1110P1110-A1113 VanDerWaalsContact O-CB 3.23Å; P1110-A1113 WeakPolarHBondContact O-CB 3.18Å; P1110-A1113 PolarHBondContact O-N 3.43Å
1114T89.2Confident88.5Confident118 Ų11875.8 Ų75.872%0.72444%0.437SS*.THydrogen-bonded Turntrans-97.42.8175.555.70000114F1112F1112-T1114 PolarHBondContact O-N 3.13Å
1115V90.7Very high88.1Confident35 Ų3574.5 Ų74.521%0.21243%0.433CS..  trans-94.5128-174.8-179.10000111.2R963 V967 F1112 W1117R963-V1115 HydrophobicContact CG-CG2 4.49Å; V967-V1115 HydrophobicContact CB-CG1 4.44Å; V967-V1115 HydrophobicContact CG1-CG1 3.88Å; V967-V1115 HydrophobicContact CG2-CB 4.23Å; V967-V1115 HydrophobicContact CG2-CG1 3.63Å; V967-V1115 HydrophobicContact CG2-CG2 3.6Å; F1112-V1115 HydrophobicContact CB-CB 4.5Å; F1112-V1115 HydrophobicContact CB-CG2 4.14Å; F1112-V1115 HydrophobicContact CD1-CG2 4.22Å; F1112-V1115 VanDerWaalsContact O-CB 3.29Å; F1112-V1115 WeakPolarHBondContact O-CB 3.42Å; F1112-V1115 WeakPolarHBondContact O-CG2 3.2Å; F1112-V1115 PolarHBondContact O-N 3.31Å; V1115-W1117 HydrophobicContact CG1-CD2 3.97Å; V1115-W1117 HydrophobicContact CG1-CG 4.13Å; V1115-W1117 HydrophobicContact CG1-CZ2 4.32Å; V1115-W1117 PolarHBondContact O-N 3.23Å
1116D87Confident87.7Confident161 Ų16175.5 Ų75.586%0.86144%0.44SS*.  trans-89.598.7167.5-168.313.8000109.5A1118D1116-A1118 PolarHBondContact O-N 3.2Å
1117W86.7Confident87.1Confident45 Ų4581.3 Ų81.317%0.1747%0.474CS..  trans-76.2114.5179.2-61.892.1000110.4V967 V970 K1107 F1112 V1115V967-W1117 HydrophobicContact CB-CH2 4.18Å; V967-W1117 HydrophobicContact CB-CZ3 4.29Å; V967-W1117 HydrophobicContact CG1-CE3 4.11Å; V967-W1117 HydrophobicContact CG1-CH2 4.12Å; V967-W1117 HydrophobicContact CG1-CZ3 3.78Å; V967-W1117 HydrophobicContact CG2-CH2 3.93Å; V967-W1117 HydrophobicContact CG2-CZ2 4.12Å; V967-W1117 HydrophobicContact CG2-CZ3 4.43Å; V970-W1117 HydrophobicContact CB-CH2 3.96Å; V970-W1117 HydrophobicContact CB-CZ3 4.14Å; V970-W1117 HydrophobicContact CG1-CH2 3.7Å; V970-W1117 HydrophobicContact CG1-CZ3 3.82Å; K1107-W1117 HydrophobicContact CB-CD2 4.09Å; K1107-W1117 HydrophobicContact CB-CG 4.43Å; K1107-W1117 HydrophobicContact CB-CZ2 3.94Å; K1107-W1117 HydrophobicContact CD-CD2 4.15Å; K1107-W1117 HydrophobicContact CD-CE3 4.19Å; K1107-W1117 HydrophobicContact CD-CG 4.48Å; K1107-W1117 HydrophobicContact CG-CD2 3.85Å; K1107-W1117 HydrophobicContact CG-CE3 3.98Å; K1107-W1117 HydrophobicContact CG-CG 4.5Å; K1107-W1117 HydrophobicContact CG-CH2 3.98Å; K1107-W1117 HydrophobicContact CG-CZ2 3.85Å; K1107-W1117 HydrophobicContact CG-CZ3 4.03Å; K1107-W1117 PolarHBondContact O-NE1 2.72Å; F1112-W1117 HydrophobicContact CB-CZ2 3.93Å; F1112-W1117 HydrophobicContact CD1-CH2 4.31Å; F1112-W1117 AromaticContact CD1-CZ2 3.83Å; F1112-W1117 HydrophobicContact CD1-CZ2 3.83Å; F1112-W1117 HydrophobicContact CD2-CZ2 4.34Å; F1112-W1117 HydrophobicContact CE1-CH2 4.45Å; F1112-W1117 HydrophobicContact CE1-CZ2 4.38Å; F1112-W1117 AromaticContact CG-CZ2 3.79Å; F1112-W1117 HydrophobicContact CG-CZ2 3.79Å; V1115-W1117 HydrophobicContact CG1-CD2 3.97Å; V1115-W1117 HydrophobicContact CG1-CG 4.13Å; V1115-W1117 HydrophobicContact CG1-CZ2 4.32Å; V1115-W1117 PolarHBondContact O-N 3.23Å
1118A67.4Low86.4Confident105 Ų10584.5 Ų84.587%0.86850%0.498SS*.  trans-58147.7174.400000112D1116D1116-A1118 PolarHBondContact O-N 3.2Å
1119K44.7Very low85.7Confident275 Ų27583.8 Ų83.8100%1.19649%0.485SS*.  trans-1170-174.3-63.2-174179.6-176.80112.6

Retrieved 1,119 of 1,119 residues in 317.3 ms (Link to these results)

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