A0A077Z359_TRITR Loading...

NADH dehydrogenase (Ubiquinone) flavoprotein 2

AlphaFold DB , UniProt , Accession A0A077Z359, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 190 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
1M83.5Confident92.1Very high146 Ų14696.8 Ų96.872%0.71948%0.481SS*.  0-43.70-69.7-53.3-76.400113.5R3 I4 K5 V45M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.27Å; M1-I4 WeakPolarHBondContact O-CB 3.27Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 HydrophobicContact SD-CD1 4.16Å; M1-K5 PolarHBondContact O-N 2.94Å; M1-V45 HydrophobicContact CE-CG1 4.38Å; M1-V45 HydrophobicContact CE-CG2 4.4Å
2E92.8Very high92.2Very high127 Ų12795.8 Ų95.859%0.59349%0.487SS*.Hα-helixtrans-54.7-42.1-177.4-62.1-49.8116.300114.6I4 K5 A6E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.39Å; E2-K5 WeakPolarHBondContact O-CB 3.28Å; E2-K5 PolarHBondContact O-N 3.48Å; E2-K5 VanDerWaalsContact O-N 3.12Å; E2-K5 IonicContact OE1-NZ 3.14Å; E2-K5 PolarHBondContact OE1-NZ 2.89Å; E2-K5 IonicContact OE2-NZ 3.86Å; E2-A6 PolarHBondContact O-N 2.95Å
3R93.6Very high91.7Very high199 Ų19995.3 Ų95.375%0.75151%0.506SS*.Hα-helixtrans-57.7-37.3175.3-65.8-177.4-178.2172.6-0.3113.5M1 A6 I7 I26M1-R3 VanDerWaalsContact C-N 3.34Å; M1-R3 PolarHBondContact O-N 3.27Å; R3-A6 PolarHBondContact O-N 3.46Å; R3-I7 WeakPolarHBondContact O-CG1 3.17Å; R3-I7 PolarHBondContact O-N 3.46Å; R3-I26 HydrophobicContact CB-CD1 3.94Å
4I92.6Very high91.5Very high23 Ų2394.8 Ų94.812%0.11852%0.522CS..Hα-helixtrans-70.4-37.7179.3-62.4171.7000110.6M1 E2 I7 K8 V23 I26 V45M1-I4 WeakPolarHBondContact O-CB 3.27Å; M1-I4 PolarHBondContact O-N 2.83Å; M1-I4 HydrophobicContact SD-CD1 4.16Å; E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.39Å; I4-I7 PolarHBondContact O-N 3.04Å; I4-K8 WeakPolarHBondContact O-CG 3.26Å; I4-K8 PolarHBondContact O-N 3.33Å; I4-V23 HydrophobicContact CD1-CG1 4.19Å; I4-V23 HydrophobicContact CG1-CG1 4.29Å; I4-V23 HydrophobicContact CG2-CG1 4.27Å; I4-V23 HydrophobicContact CG2-CG2 3.92Å; I4-I26 HydrophobicContact CG1-CD1 4.32Å; I4-V45 HydrophobicContact CG2-CG1 3.76Å
5K92.2Very high91.4Very high120 Ų12096.1 Ų96.152%0.52252%0.522SS..Hα-helixtrans-62.6-43.8174.1-66177.4-177.5163.30111M1 E2 I7 K8 A9M1-K5 PolarHBondContact O-N 2.94Å; E2-K5 WeakPolarHBondContact O-CB 3.28Å; E2-K5 PolarHBondContact O-N 3.48Å; E2-K5 VanDerWaalsContact O-N 3.12Å; E2-K5 IonicContact OE1-NZ 3.14Å; E2-K5 PolarHBondContact OE1-NZ 2.89Å; E2-K5 IonicContact OE2-NZ 3.86Å; K5-I7 PolarHBondContact O-N 3.33Å; K5-K8 PolarHBondContact O-N 2.75Å; K5-A9 PolarHBondContact O-N 3.26Å
6A94.4Very high91.2Very high61 Ų6197.7 Ų97.750%0.50452%0.523SS..Hα-helixtrans-59.7-46176.600000111.9E2 R3 K8 A9 M10E2-A6 PolarHBondContact O-N 2.95Å; R3-A6 PolarHBondContact O-N 3.46Å; A6-K8 PolarHBondContact O-N 3.03Å; A6-A9 WeakPolarHBondContact O-CB 3.16Å; A6-A9 PolarHBondContact O-N 2.91Å; A6-M10 PolarHBondContact O-N 3.13Å
7I93.2Very high91.1Very high21 Ų2195.9 Ų95.911%0.10852%0.519CS..Hα-helixtrans-61.1-44.1176.2-73.3159.4000111.9R3 I4 K5 A9 M10 Y11 A19 P22 V23 I26R3-I7 WeakPolarHBondContact O-CG1 3.17Å; R3-I7 PolarHBondContact O-N 3.46Å; I4-I7 PolarHBondContact O-N 3.04Å; K5-I7 PolarHBondContact O-N 3.33Å; I7-A9 PolarHBondContact O-N 2.94Å; I7-M10 HydrophobicContact CB-CE 4.13Å; I7-M10 HydrophobicContact CG1-CE 3.87Å; I7-M10 HydrophobicContact CG2-CE 4.19Å; I7-M10 WeakPolarHBondContact O-CB 3.4Å; I7-M10 PolarHBondContact O-N 2.89Å; I7-M10 VanDerWaalsContact O-N 3.11Å; I7-Y11 HydrophobicContact CG2-CE2 4.02Å; I7-Y11 VanDerWaalsContact O-CD2 3.31Å; I7-Y11 WeakPolarHBondContact O-CD2 3.4Å; I7-A19 HydrophobicContact CG2-CB 3.92Å; I7-P22 HydrophobicContact CD1-CB 3.99Å; I7-P22 HydrophobicContact CG1-CB 4.46Å; I7-P22 HydrophobicContact CG2-CB 4.08Å; I7-P22 HydrophobicContact CG2-CG 3.56Å; I7-V23 HydrophobicContact CG2-CG2 4.2Å; I7-I26 HydrophobicContact CD1-CD1 3.22Å; I7-I26 HydrophobicContact CD1-CG1 4.32Å
8K90Very high91.3Very high74 Ų7492.8 Ų92.832%0.32251%0.509SS..Hα-helixtrans-60.7-33.9177.3-80-179.2151.3-1660112.8I4 K5 A6 M10 Y11 A19 V45I4-K8 WeakPolarHBondContact O-CG 3.26Å; I4-K8 PolarHBondContact O-N 3.33Å; K5-K8 PolarHBondContact O-N 2.75Å; A6-K8 PolarHBondContact O-N 3.03Å; K8-M10 PolarHBondContact O-N 2.88Å; K8-Y11 PolarHBondContact O-N 3.3Å; K8-A19 HydrophobicContact CG-CB 4.35Å; K8-V45 WeakPolarHBondContact CE-O 3.4Å; K8-V45 PolarHBondContact NZ-O 3.45Å
9A93.2Very high91.4Very high85 Ų8587.9 Ų87.970%0.70248%0.482SS*.Hα-helixtrans-71.7-15.7178.200000113.5K5 A6 I7 Y11K5-A9 PolarHBondContact O-N 3.26Å; A6-A9 WeakPolarHBondContact O-CB 3.16Å; A6-A9 PolarHBondContact O-N 2.91Å; I7-A9 PolarHBondContact O-N 2.94Å; A9-Y11 VanDerWaalsContact C-N 3.28Å; A9-Y11 PolarHBondContact O-N 2.84Å
10M93.7Very high91.6Very high129 Ų12984.1 Ų84.164%0.63546%0.461SS*.THydrogen-bonded Turntrans-75.2-16.2175.7-60.1-165.7-70.900113.4A6 I7 K8A6-M10 PolarHBondContact O-N 3.13Å; I7-M10 HydrophobicContact CB-CE 4.13Å; I7-M10 HydrophobicContact CG1-CE 3.87Å; I7-M10 HydrophobicContact CG2-CE 4.19Å; I7-M10 WeakPolarHBondContact O-CB 3.4Å; I7-M10 PolarHBondContact O-N 2.89Å; I7-M10 VanDerWaalsContact O-N 3.11Å; K8-M10 PolarHBondContact O-N 2.88Å
11Y93.8Very high91.8Very high80 Ų8083.2 Ų83.231%0.31446%0.455SS..SBendtrans-114.3149.3-175.4-57.6-70.3000111.7I7 K8 A9 A18 A19I7-Y11 HydrophobicContact CG2-CE2 4.02Å; I7-Y11 VanDerWaalsContact O-CD2 3.31Å; I7-Y11 WeakPolarHBondContact O-CD2 3.4Å; K8-Y11 PolarHBondContact O-N 3.3Å; A9-Y11 VanDerWaalsContact C-N 3.28Å; A9-Y11 PolarHBondContact O-N 2.84Å; Y11-A18 HydrophobicContact CD1-CB 3.42Å; Y11-A18 VanDerWaalsContact CD1-CB 3.42Å; Y11-A18 HydrophobicContact CD2-CB 4.08Å; Y11-A18 HydrophobicContact CE1-CB 3.68Å; Y11-A18 HydrophobicContact CE2-CB 4.3Å; Y11-A18 HydrophobicContact CG-CB 3.64Å; Y11-A19 HydrophobicContact CD2-CB 4.03Å; Y11-A19 HydrophobicContact CE2-CB 4.07Å
12P92.9Very high92.3Very high85 Ų8577.9 Ų77.955%0.55243%0.432SS*.  trans-55.9143173.6-23.633.1000111.8A14 H15P12-A14 PolarHBondContact O-N 3.09Å; P12-H15 PolarHBondContact O-N 2.68Å
13A86Confident92.4Very high89 Ų8971.9 Ų71.974%0.73640%0.404SS*.THydrogen-bonded Turntrans-57.9-26.8-174.600000114.4H15 K16A13-H15 VanDerWaalsContact C-N 3.35Å; A13-K16 WeakPolarHBondContact O-CE 3.43Å; A13-K16 WeakPolarHBondContact O-CG 3.3Å
14A88.4Confident92.5Very high88 Ų8862.4 Ų62.473%0.72737%0.368SS*.THydrogen-bonded Turntrans-73.7-22.317600000113.5P12P12-A14 PolarHBondContact O-N 3.09Å
15H91.1Very high92.6Very high114 Ų11463.9 Ų63.953%0.52838%0.376SS..  trans-11449.9-171.4-62-61.5000112.5P12 A13 S17 A18P12-H15 PolarHBondContact O-N 2.68Å; A13-H15 VanDerWaalsContact C-N 3.35Å; H15-S17 PolarHBondContact O-N 3.13Å; H15-S17 VanDerWaalsContact O-N 3.09Å; H15-A18 WeakPolarHBondContact O-CB 3.3Å; H15-A18 PolarHBondContact O-N 3.29Å
16K87.3Confident92.7Very high122 Ų12259.9 Ų59.953%0.5336%0.36SS..G310 helixtrans-57.8-25.6179.3-60.9178.9-175.1172.20113.4A13 A18 A19 I46A13-K16 WeakPolarHBondContact O-CE 3.43Å; A13-K16 WeakPolarHBondContact O-CG 3.3Å; K16-A18 PolarHBondContact O-N 2.86Å; K16-A19 PolarHBondContact O-N 2.98Å; K16-I46 HydrophobicContact CB-CG2 4.22Å; K16-I46 VanDerWaalsContact O-CG2 3.22Å; K16-I46 WeakPolarHBondContact O-CG2 3.47Å
17S90.7Very high92.7Very high67 Ų6757.6 Ų57.647%0.46934%0.341SS..G310 helixtrans-62.5-23.5176.9520000113.7H15 A19 I20H15-S17 PolarHBondContact O-N 3.13Å; H15-S17 VanDerWaalsContact O-N 3.09Å; S17-A19 PolarHBondContact O-N 3.32Å; S17-I20 WeakPolarHBondContact O-CB 3.47Å; S17-I20 VanDerWaalsContact O-CD1 3.3Å; S17-I20 WeakPolarHBondContact O-CD1 3.46Å; S17-I20 WeakPolarHBondContact O-CG1 3.4Å; S17-I20 PolarHBondContact O-N 2.84Å; S17-I20 VanDerWaalsContact O-N 3.1Å
18A93.3Very high92.8Very high40 Ų4057.6 Ų57.633%0.33134%0.341SS..G310 helixtrans-63.5-23.3177.400000112.7Y11 H15 K16 I20Y11-A18 HydrophobicContact CD1-CB 3.42Å; Y11-A18 VanDerWaalsContact CD1-CB 3.42Å; Y11-A18 HydrophobicContact CD2-CB 4.08Å; Y11-A18 HydrophobicContact CE1-CB 3.68Å; Y11-A18 HydrophobicContact CE2-CB 4.3Å; Y11-A18 HydrophobicContact CG-CB 3.64Å; H15-A18 WeakPolarHBondContact O-CB 3.3Å; H15-A18 PolarHBondContact O-N 3.29Å; K16-A18 PolarHBondContact O-N 2.86Å; A18-I20 VanDerWaalsContact C-N 3.28Å; A18-I20 PolarHBondContact O-N 3.22Å
19A94.2Very high93Very high0 Ų061.1 Ų61.10%035%0.352CS..G310 helixtrans-78.8-3.1176.800000114.2I7 K8 Y11 K16 S17 L21 P22 V23I7-A19 HydrophobicContact CG2-CB 3.92Å; K8-A19 HydrophobicContact CG-CB 4.35Å; Y11-A19 HydrophobicContact CD2-CB 4.03Å; Y11-A19 HydrophobicContact CE2-CB 4.07Å; K16-A19 PolarHBondContact O-N 2.98Å; S17-A19 PolarHBondContact O-N 3.32Å; A19-L21 PolarHBondContact O-N 3.4Å; A19-P22 WeakPolarHBondContact O-CD 3.42Å; A19-P22 WeakPolarHBondContact O-CG 3.39Å; A19-V23 HydrophobicContact CB-CG2 4.22Å; A19-V23 VanDerWaalsContact O-CB 3.27Å; A19-V23 WeakPolarHBondContact O-CB 3.21Å; A19-V23 WeakPolarHBondContact O-CG2 3.46Å; A19-V23 PolarHBondContact O-N 2.53Å; A19-V23 VanDerWaalsContact O-N 3.14Å
20I94.9Very high92.9Very high11 Ų1164.2 Ų64.26%0.05635%0.352CS..Hα-helixtrans-59.3-52-174-69.9166.9000112S17 A18 V23 L24 I46 V48 I53 V56S17-I20 WeakPolarHBondContact O-CB 3.47Å; S17-I20 VanDerWaalsContact O-CD1 3.3Å; S17-I20 WeakPolarHBondContact O-CD1 3.46Å; S17-I20 WeakPolarHBondContact O-CG1 3.4Å; S17-I20 PolarHBondContact O-N 2.84Å; S17-I20 VanDerWaalsContact O-N 3.1Å; A18-I20 VanDerWaalsContact C-N 3.28Å; A18-I20 PolarHBondContact O-N 3.22Å; I20-V23 PolarHBondContact O-N 3.35Å; I20-L24 HydrophobicContact CG2-CD1 3.72Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.23Å; I20-L24 WeakPolarHBondContact O-CG 3.35Å; I20-L24 PolarHBondContact O-N 2.96Å; I20-I46 HydrophobicContact CB-CD1 4.28Å; I20-I46 HydrophobicContact CG1-CD1 3.82Å; I20-V48 HydrophobicContact CD1-CG1 4.37Å; I20-V48 HydrophobicContact CD1-CG2 4.07Å; I20-V48 HydrophobicContact CG1-CG2 4.24Å; I20-I53 HydrophobicContact CB-CD1 4.26Å; I20-I53 HydrophobicContact CD1-CD1 4.15Å; I20-I53 HydrophobicContact CG1-CD1 3.81Å; I20-I53 HydrophobicContact CG2-CD1 3.51Å; I20-V56 HydrophobicContact CG2-CB 4.11Å; I20-V56 HydrophobicContact CG2-CG1 3.97Å; I20-V56 HydrophobicContact CG2-CG2 3.98Å
21L95.5Very high92.7Very high66 Ų6662.9 Ų62.935%0.34634%0.344SS..Hα-helixtrans-59.7-56.5-176.9-82.167.1000112.6A19 V23 L24 D25 V56 Y60 Y63A19-L21 PolarHBondContact O-N 3.4Å; L21-V23 VanDerWaalsContact C-N 3.29Å; L21-V23 PolarHBondContact O-N 2.73Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-D25 PolarHBondContact O-N 3.39Å; L21-V56 HydrophobicContact CD1-CG1 3.81Å; L21-V56 HydrophobicContact CD1-CG2 4.46Å; L21-V56 HydrophobicContact CG-CG1 4.2Å; L21-Y60 HydrophobicContact CD1-CE2 4.14Å; L21-Y60 HydrophobicContact CD2-CE1 4.36Å; L21-Y60 HydrophobicContact CD2-CE2 4.02Å; L21-Y60 HydrophobicContact CG-CE2 4.15Å; L21-Y63 VanDerWaalsContact C-OH 3.31Å; L21-Y63 WeakPolarHBondContact CA-OH 3.31Å; L21-Y63 PolarHBondContact O-OH 3.3Å
22P95.2Very high92.5Very high34 Ų3461.2 Ų61.222%0.22135%0.351CS..Hα-helixtrans-66.6-29.9-177.725.5-36.2000113.1I7 A19 D25 I26I7-P22 HydrophobicContact CD1-CB 3.99Å; I7-P22 HydrophobicContact CG1-CB 4.46Å; I7-P22 HydrophobicContact CG2-CB 4.08Å; I7-P22 HydrophobicContact CG2-CG 3.56Å; A19-P22 WeakPolarHBondContact O-CD 3.42Å; A19-P22 WeakPolarHBondContact O-CG 3.39Å; P22-D25 PolarHBondContact O-N 3Å; P22-I26 WeakPolarHBondContact O-CG1 3.29Å; P22-I26 PolarHBondContact O-N 3.45Å
23V94.8Very high92.5Very high1 Ų161 Ų611%0.00634%0.339CS..Hα-helixtrans-73.5-36176.7176.80000111.4I4 I7 A19 I20 L21 I26 A27 V42 I46I4-V23 HydrophobicContact CD1-CG1 4.19Å; I4-V23 HydrophobicContact CG1-CG1 4.29Å; I4-V23 HydrophobicContact CG2-CG1 4.27Å; I4-V23 HydrophobicContact CG2-CG2 3.92Å; I7-V23 HydrophobicContact CG2-CG2 4.2Å; A19-V23 HydrophobicContact CB-CG2 4.22Å; A19-V23 VanDerWaalsContact O-CB 3.27Å; A19-V23 WeakPolarHBondContact O-CB 3.21Å; A19-V23 WeakPolarHBondContact O-CG2 3.46Å; A19-V23 PolarHBondContact O-N 2.53Å; A19-V23 VanDerWaalsContact O-N 3.14Å; I20-V23 PolarHBondContact O-N 3.35Å; L21-V23 VanDerWaalsContact C-N 3.29Å; L21-V23 PolarHBondContact O-N 2.73Å; V23-I26 PolarHBondContact O-N 3.4Å; V23-A27 PolarHBondContact O-N 3.35Å; V23-V42 HydrophobicContact CB-CG1 4.3Å; V23-V42 HydrophobicContact CG1-CB 4.4Å; V23-V42 HydrophobicContact CG1-CG1 3.72Å; V23-V42 HydrophobicContact CG1-CG2 4Å; V23-I46 HydrophobicContact CB-CD1 4.03Å; V23-I46 HydrophobicContact CG1-CD1 4.22Å; V23-I46 HydrophobicContact CG1-CG1 4.43Å; V23-I46 HydrophobicContact CG2-CD1 4.29Å
24L95.4Very high92.9Very high0 Ų056.9 Ų56.90%031%0.305CS..Hα-helixtrans-64.6-40.7170.8-77.8170.2000111.9I20 L21 I26 A27 Q28 L34 V42 I53 V56 Y63I20-L24 HydrophobicContact CG2-CD1 3.72Å; I20-L24 HydrophobicContact CG2-CG 4.4Å; I20-L24 WeakPolarHBondContact O-CB 3.23Å; I20-L24 WeakPolarHBondContact O-CG 3.35Å; I20-L24 PolarHBondContact O-N 2.96Å; L21-L24 PolarHBondContact O-N 3.27Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.26Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 2.94Å; L24-A27 VanDerWaalsContact O-N 3.15Å; L24-Q28 PolarHBondContact O-N 3.14Å; L24-L34 HydrophobicContact CB-CD1 4.5Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; L24-V42 HydrophobicContact CD2-CB 4.18Å; L24-V42 HydrophobicContact CD2-CG1 4.07Å; L24-V42 HydrophobicContact CD2-CG2 4.09Å; L24-V42 HydrophobicContact CG-CG1 4.14Å; L24-I53 HydrophobicContact CD1-CG2 4.14Å; L24-I53 HydrophobicContact CD2-CG2 3.68Å; L24-I53 HydrophobicContact CG-CG2 4.34Å; L24-V56 HydrophobicContact CD1-CB 4.22Å; L24-V56 HydrophobicContact CD1-CG1 3.68Å; L24-Y63 HydrophobicContact CB-CD1 4.35Å; L24-Y63 HydrophobicContact CB-CE1 3.61Å; L24-Y63 HydrophobicContact CB-CE2 4.48Å; L24-Y63 HydrophobicContact CD1-CE2 4.27Å
25D95.1Very high93.2Very high55 Ų5554 Ų5429%0.29428%0.279SS..Hα-helixtrans-60.8-42.7175.1-179.467.7000111.4L21 P22 A27 Q28 R29 Y63L21-D25 PolarHBondContact O-N 3.39Å; P22-D25 PolarHBondContact O-N 3Å; D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.59Å; D25-Q28 PolarHBondContact O-N 2.9Å; D25-R29 WeakPolarHBondContact O-CG 3.34Å; D25-R29 PolarHBondContact O-N 3.28Å; D25-R29 IonicContact OD1-NE 3.63Å; D25-R29 WeakPolarHBondContact OD2-CD 3.38Å; D25-R29 IonicContact OD2-CZ 3.66Å; D25-R29 IonicContact OD2-NE 3.97Å; D25-R29 PolarHBondContact OD2-NE 2.92Å; D25-R29 IonicContact OD2-NH2 2.98Å; D25-Y63 HydrophobicContact CB-CE1 4.47Å
26I94.9Very high93.4Very high35 Ų3554.1 Ų54.118%0.17928%0.282CS..Hα-helixtrans-59.4-43.7173.2-72.8174.7000111.8R3 I4 I7 P22 V23 L24 Q28 R29 Q30R3-I26 HydrophobicContact CB-CD1 3.94Å; I4-I26 HydrophobicContact CG1-CD1 4.32Å; I7-I26 HydrophobicContact CD1-CD1 3.22Å; I7-I26 HydrophobicContact CD1-CG1 4.32Å; P22-I26 WeakPolarHBondContact O-CG1 3.29Å; P22-I26 PolarHBondContact O-N 3.45Å; V23-I26 PolarHBondContact O-N 3.4Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 PolarHBondContact O-N 3.26Å; I26-Q28 VanDerWaalsContact C-N 3.28Å; I26-Q28 PolarHBondContact O-N 3.28Å; I26-R29 PolarHBondContact O-N 3.46Å; I26-Q30 PolarHBondContact O-N 3.42Å; I26-Q30 VanDerWaalsContact O-N 3.09Å
27A94.4Very high93.8Very high13 Ų1351.8 Ų51.811%0.10729%0.286CS..Hα-helixtrans-62.7-39178.400000111.2V23 L24 D25 Q30 H31 L34 A38 V42V23-A27 PolarHBondContact O-N 3.35Å; L24-A27 WeakPolarHBondContact O-CB 3.35Å; L24-A27 PolarHBondContact O-N 2.94Å; L24-A27 VanDerWaalsContact O-N 3.15Å; D25-A27 VanDerWaalsContact C-N 3.33Å; D25-A27 PolarHBondContact O-N 2.59Å; A27-Q30 PolarHBondContact O-N 3.45Å; A27-H31 PolarHBondContact O-CD2 2.78Å; A27-H31 PolarHBondContact O-N 2.92Å; A27-L34 HydrophobicContact CB-CD2 3.74Å; A27-A38 HydrophobicContact CB-CB 4.49Å; A27-V42 HydrophobicContact CB-CG2 3.97Å
28Q95.1Very high94Very high21 Ų2149.2 Ų49.210%0.09827%0.268CS..Hα-helixtrans-66.9-45.9174.1-175.7161.7-50.100111.8L24 D25 I26 Q30 H31 G32 L34 M62 N64L24-Q28 PolarHBondContact O-N 3.14Å; D25-Q28 PolarHBondContact O-N 2.9Å; I26-Q28 VanDerWaalsContact C-N 3.28Å; I26-Q28 PolarHBondContact O-N 3.28Å; Q28-Q30 PolarHBondContact O-N 3.35Å; Q28-Q30 VanDerWaalsContact O-N 3.15Å; Q28-H31 PolarHBondContact O-N 2.94Å; Q28-H31 VanDerWaalsContact O-N 3.09Å; Q28-G32 VanDerWaalsContact O-CA 3.32Å; Q28-G32 WeakPolarHBondContact O-CA 3.28Å; Q28-G32 PolarHBondContact O-N 2.82Å; Q28-L34 HydrophobicContact CB-CD1 4.42Å; Q28-L34 HydrophobicContact CB-CD2 3.95Å; Q28-L34 HydrophobicContact CB-CG 3.91Å; Q28-L34 HydrophobicContact CG-CG 4.44Å; Q28-M62 PolarHBondContact NE2-O 3.45Å; Q28-N64 PolarHBondContact NE2-ND2 3.12Å
29R93Very high94.1Very high149 Ų14947.8 Ų47.856%0.56226%0.255SS*.Hα-helixtrans-60.1-25.5177.5-72.1-178.7-177.3-88.5-15.1113.1D25 I26 D131D25-R29 WeakPolarHBondContact O-CG 3.34Å; D25-R29 PolarHBondContact O-N 3.28Å; D25-R29 IonicContact OD1-NE 3.63Å; D25-R29 WeakPolarHBondContact OD2-CD 3.38Å; D25-R29 IonicContact OD2-CZ 3.66Å; D25-R29 IonicContact OD2-NE 3.97Å; D25-R29 PolarHBondContact OD2-NE 2.92Å; D25-R29 IonicContact OD2-NH2 2.98Å; I26-R29 PolarHBondContact O-N 3.46Å; R29-D131 IonicContact CZ-OD1 3.56Å; R29-D131 IonicContact CZ-OD2 2.69Å; R29-D131 IonicContact NH1-OD1 3.2Å; R29-D131 IonicContact NH1-OD2 2.81Å; R29-D131 PolarHBondContact NH1-OD2 3.33Å; R29-D131 IonicContact NH2-OD1 3.36Å; R29-D131 PolarHBondContact NH2-OD1 2.69Å; R29-D131 VanDerWaalsContact NH2-OD1 3.14Å; R29-D131 IonicContact NH2-OD2 3.68Å; R29-D131 PolarHBondContact NH2-OD2 3.06Å
30Q91.8Very high94.2Very high149 Ų14949.8 Ų49.870%0.69627%0.265SS*.Hα-helixtrans-78-34.7175.5-176.4174.2-20.700113.3I26 A27 Q28I26-Q30 PolarHBondContact O-N 3.42Å; I26-Q30 VanDerWaalsContact O-N 3.09Å; A27-Q30 PolarHBondContact O-N 3.45Å; Q28-Q30 PolarHBondContact O-N 3.35Å; Q28-Q30 VanDerWaalsContact O-N 3.15Å
31H88.6Confident94.2Very high101 Ų10154.3 Ų54.347%0.46829%0.285SS..Hα-helixtrans-110.9-12.7-172.7-71.2-67.1000114.5A27 Q28 W33A27-H31 PolarHBondContact O-CD2 2.78Å; A27-H31 PolarHBondContact O-N 2.92Å; Q28-H31 PolarHBondContact O-N 2.94Å; Q28-H31 VanDerWaalsContact O-N 3.09Å; H31-W33 VanDerWaalsContact CB-O 3.25Å; H31-W33 WeakPolarHBondContact CB-O 3.38Å; H31-W33 PolarHBondContact O-N 3.38Å
32G89.6Confident94.1Very high45 Ų4551.6 Ų51.646%0.46427%0.271SS..SBendtrans80-23.4-168.700000114.2Q28Q28-G32 VanDerWaalsContact O-CA 3.32Å; Q28-G32 WeakPolarHBondContact O-CA 3.28Å; Q28-G32 PolarHBondContact O-N 2.82Å
33W93.6Very high94.1Very high82 Ų8250.1 Ų50.131%0.31126%0.262SS..SBendtrans-151.1169.1179.469.4-73.9000109.9H31 P35 N64 K66 P67H31-W33 VanDerWaalsContact CB-O 3.25Å; H31-W33 WeakPolarHBondContact CB-O 3.38Å; H31-W33 PolarHBondContact O-N 3.38Å; W33-P35 HydrophobicContact CE3-CB 4.49Å; W33-P35 HydrophobicContact CH2-CB 3.7Å; W33-P35 HydrophobicContact CZ2-CB 4.11Å; W33-P35 HydrophobicContact CZ3-CB 3.91Å; W33-P35 WeakPolarHBondContact O-CD 3.39Å; W33-N64 CarbonylContact C-O 3.56Å; W33-N64 WeakPolarHBondContact CA-O 3.44Å; W33-N64 HydrophobicContact CB-CB 4.15Å; W33-N64 WeakPolarHBondContact CB-O 3.44Å; W33-K66 WeakPolarHBondContact CB-O 3.49Å; W33-P67 HydrophobicContact CD2-CG 4.25Å; W33-P67 HydrophobicContact CE3-CG 4.43Å; W33-P67 HydrophobicContact CH2-CG 4.24Å; W33-P67 HydrophobicContact CZ2-CG 4.06Å; W33-P67 HydrophobicContact CZ3-CG 4.42Å
34L94.6Very high94.1Very high2 Ų256.3 Ų56.31%0.0129%0.291CS..  trans-10695.8-176.2-72.6177.1000112L24 A27 Q28 A38 M39 Y63 N64L24-L34 HydrophobicContact CB-CD1 4.5Å; L24-L34 HydrophobicContact CD2-CD1 4.23Å; A27-L34 HydrophobicContact CB-CD2 3.74Å; Q28-L34 HydrophobicContact CB-CD1 4.42Å; Q28-L34 HydrophobicContact CB-CD2 3.95Å; Q28-L34 HydrophobicContact CB-CG 3.91Å; Q28-L34 HydrophobicContact CG-CG 4.44Å; L34-A38 HydrophobicContact CD2-CB 4.43Å; L34-M39 HydrophobicContact CB-CE 3.74Å; L34-Y63 HydrophobicContact CD1-CD1 3.49Å; L34-Y63 VanDerWaalsContact CD1-CD1 3.49Å; L34-Y63 HydrophobicContact CD1-CE1 4.31Å; L34-Y63 HydrophobicContact CD1-CG 3.84Å; L34-N64 PolarHBondContact N-O 2.9Å
35P94.8Very high94Very high28 Ų2857.8 Ų57.818%0.18230%0.299CS..  trans-68.5154.4167.627.5-33.1000111W33 A37 A38 M39W33-P35 HydrophobicContact CE3-CB 4.49Å; W33-P35 HydrophobicContact CH2-CB 3.7Å; W33-P35 HydrophobicContact CZ2-CB 4.11Å; W33-P35 HydrophobicContact CZ3-CB 3.91Å; W33-P35 WeakPolarHBondContact O-CD 3.39Å; P35-A37 PolarHBondContact O-N 2.87Å; P35-A37 VanDerWaalsContact O-N 3.12Å; P35-A38 HydrophobicContact CG-CB 3.8Å; P35-A38 WeakPolarHBondContact O-CA 3.39Å; P35-A38 WeakPolarHBondContact O-CB 3.3Å; P35-A38 PolarHBondContact O-N 3.45Å; P35-M39 PolarHBondContact O-N 2.98Å
36I95.2Very high93.8Very high115 Ų11555.3 Ų55.359%0.5929%0.286SS*.Hα-helixtrans-54.7-35.1176.5-63.8174000111.3A38 M39 N40I36-A38 VanDerWaalsContact C-N 3.35Å; I36-A38 PolarHBondContact O-N 3.06Å; I36-M39 PolarHBondContact O-N 3.21Å; I36-N40 VanDerWaalsContact O-CG 3.28Å; I36-N40 PolarHBondContact O-N 3.48Å; I36-N40 PolarHBondContact O-ND2 2.83Å
37A95.3Very high93.7Very high74 Ų7456.7 Ų56.761%0.61231%0.309SS*.Hα-helixtrans-60.1-41.317500000112.7P35 N40 K41P35-A37 PolarHBondContact O-N 2.87Å; P35-A37 VanDerWaalsContact O-N 3.12Å; A37-N40 PolarHBondContact O-N 2.92Å; A37-K41 PolarHBondContact O-N 3.35Å
38A94.9Very high93.6Very high12 Ų1257.2 Ų57.210%0.09931%0.311CS..Hα-helixtrans-66.6-43.5176.300000111A27 L34 P35 I36 N40 K41 V42A27-A38 HydrophobicContact CB-CB 4.49Å; L34-A38 HydrophobicContact CD2-CB 4.43Å; P35-A38 HydrophobicContact CG-CB 3.8Å; P35-A38 WeakPolarHBondContact O-CA 3.39Å; P35-A38 WeakPolarHBondContact O-CB 3.3Å; P35-A38 PolarHBondContact O-N 3.45Å; I36-A38 VanDerWaalsContact C-N 3.35Å; I36-A38 PolarHBondContact O-N 3.06Å; A38-N40 VanDerWaalsContact C-N 3.34Å; A38-N40 PolarHBondContact O-N 3.1Å; A38-K41 PolarHBondContact O-N 2.94Å; A38-K41 VanDerWaalsContact O-N 3.13Å; A38-V42 WeakPolarHBondContact O-CG2 3.3Å; A38-V42 PolarHBondContact O-N 3.32Å
39M95.4Very high93.6Very high11 Ų1160.5 Ų60.55%0.05433%0.334CS..Hα-helixtrans-58.9-44.5175.9-63.7-178-172.500112.1L34 P35 I36 K41 V42 A43 I53 Y54 A57 R65L34-M39 HydrophobicContact CB-CE 3.74Å; P35-M39 PolarHBondContact O-N 2.98Å; I36-M39 PolarHBondContact O-N 3.21Å; M39-K41 VanDerWaalsContact C-N 3.31Å; M39-K41 PolarHBondContact O-N 2.62Å; M39-V42 PolarHBondContact O-N 3.28Å; M39-A43 PolarHBondContact O-N 2.83Å; M39-I53 HydrophobicContact CB-CG2 3.8Å; M39-I53 HydrophobicContact CG-CG2 4.25Å; M39-Y54 HydrophobicContact CB-CD1 4.2Å; M39-Y54 HydrophobicContact CB-CE1 3.95Å; M39-Y54 HydrophobicContact SD-CD1 3.9Å; M39-Y54 HydrophobicContact SD-CE1 4.28Å; M39-A57 HydrophobicContact CE-CB 3.57Å; M39-A57 HydrophobicContact SD-CB 3.93Å; M39-R65 HydrophobicContact CE-CG 3.92Å
40N96Very high93.7Very high41 Ų4160.7 Ų60.722%0.21934%0.335CS..Hα-helixtrans-62.2-39.8176-71.8-16.3000112I36 A37 A38 A43 E44 Y54I36-N40 VanDerWaalsContact O-CG 3.28Å; I36-N40 PolarHBondContact O-N 3.48Å; I36-N40 PolarHBondContact O-ND2 2.83Å; A37-N40 PolarHBondContact O-N 2.92Å; A38-N40 VanDerWaalsContact C-N 3.34Å; A38-N40 PolarHBondContact O-N 3.1Å; N40-A43 WeakPolarHBondContact O-CB 3.01Å; N40-A43 PolarHBondContact O-N 3.1Å; N40-E44 PolarHBondContact O-N 3.43Å; N40-E44 VanDerWaalsContact O-N 3.13Å; N40-Y54 PolarHBondContact OD1-OH 3.2Å
41K94.8Very high93.9Very high106 Ų10659.1 Ų59.146%0.46133%0.329SS..Hα-helixtrans-67.9-39177.9-169.159.6179.2177.10111.9A37 A38 M39 A43 E44 V45A37-K41 PolarHBondContact O-N 3.35Å; A38-K41 PolarHBondContact O-N 2.94Å; A38-K41 VanDerWaalsContact O-N 3.13Å; M39-K41 VanDerWaalsContact C-N 3.31Å; M39-K41 PolarHBondContact O-N 2.62Å; K41-A43 VanDerWaalsContact C-N 3.33Å; K41-A43 PolarHBondContact O-N 3.18Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 IonicContact NZ-OE1 2.8Å; K41-E44 PolarHBondContact NZ-OE1 3.36Å; K41-E44 IonicContact NZ-OE2 3.79Å; K41-E44 PolarHBondContact NZ-OE2 3Å; K41-E44 PolarHBondContact O-N 3.35Å; K41-V45 HydrophobicContact CD-CG2 4.48Å; K41-V45 HydrophobicContact CG-CG2 4.35Å; K41-V45 WeakPolarHBondContact O-CB 3.41Å; K41-V45 VanDerWaalsContact O-CG2 3.25Å; K41-V45 WeakPolarHBondContact O-CG2 3.11Å; K41-V45 PolarHBondContact O-N 3.46Å
42V94.5Very high94.2Very high9 Ų961 Ų616%0.05533%0.332CS..Hα-helixtrans-61.8-42.1174.5172.40000111V23 L24 A27 A38 M39 E44 V45 I46 I53V23-V42 HydrophobicContact CB-CG1 4.3Å; V23-V42 HydrophobicContact CG1-CB 4.4Å; V23-V42 HydrophobicContact CG1-CG1 3.72Å; V23-V42 HydrophobicContact CG1-CG2 4Å; L24-V42 HydrophobicContact CD2-CB 4.18Å; L24-V42 HydrophobicContact CD2-CG1 4.07Å; L24-V42 HydrophobicContact CD2-CG2 4.09Å; L24-V42 HydrophobicContact CG-CG1 4.14Å; A27-V42 HydrophobicContact CB-CG2 3.97Å; A38-V42 WeakPolarHBondContact O-CG2 3.3Å; A38-V42 PolarHBondContact O-N 3.32Å; M39-V42 PolarHBondContact O-N 3.28Å; V42-E44 PolarHBondContact O-N 3.45Å; V42-V45 PolarHBondContact O-N 3.05Å; V42-I46 HydrophobicContact CG1-CD1 3.64Å; V42-I46 HydrophobicContact CG1-CG1 4.29Å; V42-I46 WeakPolarHBondContact O-CG1 3.47Å; V42-I46 PolarHBondContact O-N 2.78Å; V42-I53 HydrophobicContact CG1-CD1 3.99Å
43A95.1Very high94.5Very high4 Ų458.8 Ų58.83%0.03331%0.31CS..Hα-helixtrans-57.9-46.4175.600000112.1M39 N40 K41 G47 V48 R50 I53M39-A43 PolarHBondContact O-N 2.83Å; N40-A43 WeakPolarHBondContact O-CB 3.01Å; N40-A43 PolarHBondContact O-N 3.1Å; K41-A43 VanDerWaalsContact C-N 3.33Å; K41-A43 PolarHBondContact O-N 3.18Å; A43-G47 WeakPolarHBondContact O-CA 3.36Å; A43-G47 PolarHBondContact O-N 2.89Å; A43-V48 PolarHBondContact O-N 2.91Å; A43-V48 VanDerWaalsContact O-N 3.17Å; A43-R50 HydrophobicContact CB-CB 4.38Å; A43-R50 HydrophobicContact CB-CG 3.84Å; A43-I53 HydrophobicContact CB-CG1 3.73Å
44E94.6Very high94.7Very high131 Ų13158.2 Ų58.261%0.61231%0.308SS*.Hα-helixtrans-62.8-46.6176.6-172.4-160.4140.900111.7N40 K41 V42 I46 G47N40-E44 PolarHBondContact O-N 3.43Å; N40-E44 VanDerWaalsContact O-N 3.13Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 IonicContact NZ-OE1 2.8Å; K41-E44 PolarHBondContact NZ-OE1 3.36Å; K41-E44 IonicContact NZ-OE2 3.79Å; K41-E44 PolarHBondContact NZ-OE2 3Å; K41-E44 PolarHBondContact O-N 3.35Å; V42-E44 PolarHBondContact O-N 3.45Å; E44-I46 PolarHBondContact O-N 2.94Å; E44-G47 PolarHBondContact O-N 3.29Å
45V92.6Very high94.7Very high30 Ų3061.6 Ų61.618%0.18232%0.323CS..Hα-helixtrans-65-41-177.3170.30000111.3M1 I4 K8 K41 V42M1-V45 HydrophobicContact CE-CG1 4.38Å; M1-V45 HydrophobicContact CE-CG2 4.4Å; I4-V45 HydrophobicContact CG2-CG1 3.76Å; K8-V45 WeakPolarHBondContact CE-O 3.4Å; K8-V45 PolarHBondContact NZ-O 3.45Å; K41-V45 HydrophobicContact CD-CG2 4.48Å; K41-V45 HydrophobicContact CG-CG2 4.35Å; K41-V45 WeakPolarHBondContact O-CB 3.41Å; K41-V45 VanDerWaalsContact O-CG2 3.25Å; K41-V45 WeakPolarHBondContact O-CG2 3.11Å; K41-V45 PolarHBondContact O-N 3.46Å; V42-V45 PolarHBondContact O-N 3.05Å
46I92Very high94.8Very high3 Ų361.4 Ų61.42%0.01532%0.322CS..Hα-helixtrans-78.8-35.3-180-60.9176.7000111.3K16 I20 V23 V42 E44 V48K16-I46 HydrophobicContact CB-CG2 4.22Å; K16-I46 VanDerWaalsContact O-CG2 3.22Å; K16-I46 WeakPolarHBondContact O-CG2 3.47Å; I20-I46 HydrophobicContact CB-CD1 4.28Å; I20-I46 HydrophobicContact CG1-CD1 3.82Å; V23-I46 HydrophobicContact CB-CD1 4.03Å; V23-I46 HydrophobicContact CG1-CD1 4.22Å; V23-I46 HydrophobicContact CG1-CG1 4.43Å; V23-I46 HydrophobicContact CG2-CD1 4.29Å; V42-I46 HydrophobicContact CG1-CD1 3.64Å; V42-I46 HydrophobicContact CG1-CG1 4.29Å; V42-I46 WeakPolarHBondContact O-CG1 3.47Å; V42-I46 PolarHBondContact O-N 2.78Å; E44-I46 PolarHBondContact O-N 2.94Å; I46-V48 HydrophobicContact CB-CG2 4.22Å; I46-V48 HydrophobicContact CG2-CG1 3.84Å; I46-V48 HydrophobicContact CG2-CG2 4.18Å
47G92Very high94.8Very high64 Ų6456 Ų5666%0.6629%0.294SS*.THydrogen-bonded Turntrans86.940.9-173.900000112.7A43 E44A43-G47 WeakPolarHBondContact O-CA 3.36Å; A43-G47 PolarHBondContact O-N 2.89Å; E44-G47 PolarHBondContact O-N 3.29Å
48V92.9Very high94.8Very high24 Ų2456.2 Ų56.215%0.14529%0.288CS..  trans-120.4155.4177.6-66.50000110.9I20 A43 I46 R50 I53I20-V48 HydrophobicContact CD1-CG1 4.37Å; I20-V48 HydrophobicContact CD1-CG2 4.07Å; I20-V48 HydrophobicContact CG1-CG2 4.24Å; A43-V48 PolarHBondContact O-N 2.91Å; A43-V48 VanDerWaalsContact O-N 3.17Å; I46-V48 HydrophobicContact CB-CG2 4.22Å; I46-V48 HydrophobicContact CG2-CG1 3.84Å; I46-V48 HydrophobicContact CG2-CG2 4.18Å; V48-R50 PolarHBondContact O-N 3.06Å; V48-I53 HydrophobicContact CG2-CD1 3.71Å; V48-I53 HydrophobicContact CG2-CG1 4.07Å
49P94.7Very high94.9Very high90 Ų9063 Ų6358%0.58432%0.315SS*.  trans-57137.4175.1-2434000111.6M51 R52P49-M51 PolarHBondContact O-N 3.45Å; P49-M51 VanDerWaalsContact O-N 3.13Å; P49-R52 HydrophobicContact CB-CG 4.49Å; P49-R52 WeakPolarHBondContact O-CB 3.43Å; P49-R52 PolarHBondContact O-N 2.96Å
50R96.1Very high94.9Very high153 Ų15366.7 Ų66.758%0.57733%0.329SS*.Hα-helixtrans-53.3-36.7179.9-65176.9-175.7167.82.3112.7A43 V48 R52 I53 Y54A43-R50 HydrophobicContact CB-CB 4.38Å; A43-R50 HydrophobicContact CB-CG 3.84Å; V48-R50 PolarHBondContact O-N 3.06Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 3.04Å; R50-I53 WeakPolarHBondContact O-CB 3.33Å; R50-I53 PolarHBondContact O-N 3.36Å; R50-Y54 HydrophobicContact CB-CE2 4.12Å; R50-Y54 PolarHBondContact O-N 2.87Å; R50-Y54 VanDerWaalsContact O-N 3.1Å
51M95.9Very high94.8Very high116 Ų11671.2 Ų71.257%0.57136%0.359SS*.Hα-helixtrans-57.5-38.5179-167.662.9-17500112.7P49 I53 Y54 E55P49-M51 PolarHBondContact O-N 3.45Å; P49-M51 VanDerWaalsContact O-N 3.13Å; M51-I53 VanDerWaalsContact C-N 3.27Å; M51-I53 PolarHBondContact O-N 2.81Å; M51-Y54 PolarHBondContact O-N 3.02Å; M51-Y54 VanDerWaalsContact O-N 3.13Å; M51-Y54 HydrophobicContact SD-CD2 4.18Å; M51-E55 HydrophobicContact CE-CG 4.5Å; M51-E55 WeakPolarHBondContact O-CG 3.33Å; M51-E55 PolarHBondContact O-N 2.97Å
52R94.4Very high94.7Very high140 Ų14072.6 Ų72.653%0.52837%0.368SS..Hα-helixtrans-63.9-34.2177-65.3-54.4-168.9-177.8-0.3112.3P49 R50 E55 V56P49-R52 HydrophobicContact CB-CG 4.49Å; P49-R52 WeakPolarHBondContact O-CB 3.43Å; P49-R52 PolarHBondContact O-N 2.96Å; R50-R52 VanDerWaalsContact C-N 3.27Å; R50-R52 PolarHBondContact O-N 3.04Å; R52-E55 WeakPolarHBondContact CD-OE2 3.39Å; R52-E55 IonicContact CZ-OE2 3.93Å; R52-E55 IonicContact NE-OE2 3.59Å; R52-E55 IonicContact NH1-OE1 3.14Å; R52-E55 IonicContact NH1-OE2 2.78Å; R52-E55 PolarHBondContact NH1-OE2 2.94Å; R52-V56 VanDerWaalsContact O-CG2 3.32Å; R52-V56 WeakPolarHBondContact O-CG2 3.16Å; R52-V56 PolarHBondContact O-N 3.46Å
53I96Very high94.7Very high0 Ų073 Ų730%037%0.369CS..Hα-helixtrans-69-41174.8-58.3-55000110.6I20 L24 M39 V42 A43 V48 R50 M51 V56 A57I20-I53 HydrophobicContact CB-CD1 4.26Å; I20-I53 HydrophobicContact CD1-CD1 4.15Å; I20-I53 HydrophobicContact CG1-CD1 3.81Å; I20-I53 HydrophobicContact CG2-CD1 3.51Å; L24-I53 HydrophobicContact CD1-CG2 4.14Å; L24-I53 HydrophobicContact CD2-CG2 3.68Å; L24-I53 HydrophobicContact CG-CG2 4.34Å; M39-I53 HydrophobicContact CB-CG2 3.8Å; M39-I53 HydrophobicContact CG-CG2 4.25Å; V42-I53 HydrophobicContact CG1-CD1 3.99Å; A43-I53 HydrophobicContact CB-CG1 3.73Å; V48-I53 HydrophobicContact CG2-CD1 3.71Å; V48-I53 HydrophobicContact CG2-CG1 4.07Å; R50-I53 WeakPolarHBondContact O-CB 3.33Å; R50-I53 PolarHBondContact O-N 3.36Å; M51-I53 VanDerWaalsContact C-N 3.27Å; M51-I53 PolarHBondContact O-N 2.81Å; I53-V56 PolarHBondContact O-N 3.17Å; I53-A57 VanDerWaalsContact O-CB 3.3Å; I53-A57 WeakPolarHBondContact O-CB 3.2Å; I53-A57 PolarHBondContact O-N 3.12Å
54Y96.2Very high94.7Very high69 Ų6974 Ų7427%0.27137%0.374SS..Hα-helixtrans-66.1-41.7177.7-55.4-26000112.1M39 N40 R50 M51 V56 A57 T58M39-Y54 HydrophobicContact CB-CD1 4.2Å; M39-Y54 HydrophobicContact CB-CE1 3.95Å; M39-Y54 HydrophobicContact SD-CD1 3.9Å; M39-Y54 HydrophobicContact SD-CE1 4.28Å; N40-Y54 PolarHBondContact OD1-OH 3.2Å; R50-Y54 HydrophobicContact CB-CE2 4.12Å; R50-Y54 PolarHBondContact O-N 2.87Å; R50-Y54 VanDerWaalsContact O-N 3.1Å; M51-Y54 PolarHBondContact O-N 3.02Å; M51-Y54 VanDerWaalsContact O-N 3.13Å; M51-Y54 HydrophobicContact SD-CD2 4.18Å; Y54-V56 PolarHBondContact O-N 2.98Å; Y54-A57 PolarHBondContact O-N 3.26Å; Y54-T58 WeakPolarHBondContact O-CB 3.33Å; Y54-T58 VanDerWaalsContact O-CG2 3.27Å; Y54-T58 WeakPolarHBondContact O-CG2 3.42Å; Y54-T58 PolarHBondContact O-N 3.3Å; Y54-T58 PolarHBondContact O-OG1 2.84Å
55E96.4Very high94.6Very high73 Ų7374.5 Ų74.534%0.34137%0.37SS..Hα-helixtrans-55.7-50.1173.3-73.5168.3-175.800110.6M51 R52 T58 F59M51-E55 HydrophobicContact CE-CG 4.5Å; M51-E55 WeakPolarHBondContact O-CG 3.33Å; M51-E55 PolarHBondContact O-N 2.97Å; R52-E55 WeakPolarHBondContact CD-OE2 3.39Å; R52-E55 IonicContact CZ-OE2 3.93Å; R52-E55 IonicContact NE-OE2 3.59Å; R52-E55 IonicContact NH1-OE1 3.14Å; R52-E55 IonicContact NH1-OE2 2.78Å; R52-E55 PolarHBondContact NH1-OE2 2.94Å; E55-T58 PolarHBondContact O-N 2.77Å; E55-T58 PolarHBondContact O-OG1 2.88Å; E55-F59 WeakPolarHBondContact O-CB 3.29Å; E55-F59 PolarHBondContact O-N 3.32Å
56V96.2Very high94.6Very high24 Ų2480.9 Ų80.915%0.14540%0.395CS..Hα-helixtrans-64.7-46.9179.2171.80000111.7I20 L21 L24 R52 I53 Y54 T58 F59 Y60 Y63I20-V56 HydrophobicContact CG2-CB 4.11Å; I20-V56 HydrophobicContact CG2-CG1 3.97Å; I20-V56 HydrophobicContact CG2-CG2 3.98Å; L21-V56 HydrophobicContact CD1-CG1 3.81Å; L21-V56 HydrophobicContact CD1-CG2 4.46Å; L21-V56 HydrophobicContact CG-CG1 4.2Å; L24-V56 HydrophobicContact CD1-CB 4.22Å; L24-V56 HydrophobicContact CD1-CG1 3.68Å; R52-V56 VanDerWaalsContact O-CG2 3.32Å; R52-V56 WeakPolarHBondContact O-CG2 3.16Å; R52-V56 PolarHBondContact O-N 3.46Å; I53-V56 PolarHBondContact O-N 3.17Å; Y54-V56 PolarHBondContact O-N 2.98Å; V56-T58 PolarHBondContact O-N 2.81Å; V56-F59 PolarHBondContact O-N 3.4Å; V56-Y60 HydrophobicContact CG1-CD2 3.71Å; V56-Y60 HydrophobicContact CG1-CE2 3.9Å; V56-Y60 WeakPolarHBondContact O-CD2 3.47Å; V56-Y60 PolarHBondContact O-N 3.41Å; V56-Y60 VanDerWaalsContact O-N 3.13Å; V56-Y63 HydrophobicContact CG1-CE2 3.88Å
57A95.5Very high94.5Very high1 Ų184.8 Ų84.81%0.00842%0.421CS..Hα-helixtrans-67.7-19.9-178.600000113.8M39 I53 Y54 R65M39-A57 HydrophobicContact CE-CB 3.57Å; M39-A57 HydrophobicContact SD-CB 3.93Å; I53-A57 VanDerWaalsContact O-CB 3.3Å; I53-A57 WeakPolarHBondContact O-CB 3.2Å; I53-A57 PolarHBondContact O-N 3.12Å; Y54-A57 PolarHBondContact O-N 3.26Å; A57-R65 WeakPolarHBondContact O-CD 3.2Å
58T94.8Very high94.5Very high79 Ų7984 Ų8449%0.48540%0.401SS..Hα-helixtrans-92.9-30.2175.251.60000112.6Y54 E55 V56Y54-T58 WeakPolarHBondContact O-CB 3.33Å; Y54-T58 VanDerWaalsContact O-CG2 3.27Å; Y54-T58 WeakPolarHBondContact O-CG2 3.42Å; Y54-T58 PolarHBondContact O-N 3.3Å; Y54-T58 PolarHBondContact O-OG1 2.84Å; E55-T58 PolarHBondContact O-N 2.77Å; E55-T58 PolarHBondContact O-OG1 2.88Å; V56-T58 PolarHBondContact O-N 2.81Å
59F96.9Very high94.5Very high154 Ų15483.4 Ų83.468%0.67540%0.4SS*.Hα-helixtrans-75.9-44.4-178.9-175.4-97.7000113.2E55 V56E55-F59 WeakPolarHBondContact O-CB 3.29Å; E55-F59 PolarHBondContact O-N 3.32Å; V56-F59 PolarHBondContact O-N 3.4Å
60Y95.9Very high94.4Very high89 Ų8986.4 Ų86.435%0.34940%0.403SS..  trans-88.9122.2-178.8-63.8-81.7000111.4L21 V56 M62 Y63L21-Y60 HydrophobicContact CD1-CE2 4.14Å; L21-Y60 HydrophobicContact CD2-CE1 4.36Å; L21-Y60 HydrophobicContact CD2-CE2 4.02Å; L21-Y60 HydrophobicContact CG-CE2 4.15Å; V56-Y60 HydrophobicContact CG1-CD2 3.71Å; V56-Y60 HydrophobicContact CG1-CE2 3.9Å; V56-Y60 WeakPolarHBondContact O-CD2 3.47Å; V56-Y60 PolarHBondContact O-N 3.41Å; V56-Y60 VanDerWaalsContact O-N 3.13Å; Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 PolarHBondContact O-N 2.56Å; Y60-Y63 HydrophobicContact CD2-CE2 4.13Å; Y60-Y63 HydrophobicContact CG-CE2 4.29Å; Y60-Y63 PolarHBondContact O-N 3.49Å
61T92.8Very high94.3Very high136 Ų13680.5 Ų80.583%0.83438%0.382SS*.THydrogen-bonded Turntrans-69.3-20.5-173.953.30000114.6Y63T61-Y63 PolarHBondContact O-N 2.94Å
62M93.5Very high94.3Very high135 Ų13576.2 Ų76.267%0.66536%0.361SS*.THydrogen-bonded Turntrans-67.6-19.3175.7-65.6-175.9-71.800112.7Q28 Y60 N64Q28-M62 PolarHBondContact NE2-O 3.45Å; Y60-M62 VanDerWaalsContact C-N 3.29Å; Y60-M62 PolarHBondContact O-N 2.56Å; M62-N64 PolarHBondContact O-N 3.17Å
63Y95.1Very high94.4Very high19 Ų1969.6 Ų69.68%0.07534%0.336CS..SBendtrans-80.8104.8179.8-69.3-48.7000111.8L21 L24 D25 L34 V56 Y60 T61 R65L21-Y63 VanDerWaalsContact C-OH 3.31Å; L21-Y63 WeakPolarHBondContact CA-OH 3.31Å; L21-Y63 PolarHBondContact O-OH 3.3Å; L24-Y63 HydrophobicContact CB-CD1 4.35Å; L24-Y63 HydrophobicContact CB-CE1 3.61Å; L24-Y63 HydrophobicContact CB-CE2 4.48Å; L24-Y63 HydrophobicContact CD1-CE2 4.27Å; D25-Y63 HydrophobicContact CB-CE1 4.47Å; L34-Y63 HydrophobicContact CD1-CD1 3.49Å; L34-Y63 VanDerWaalsContact CD1-CD1 3.49Å; L34-Y63 HydrophobicContact CD1-CE1 4.31Å; L34-Y63 HydrophobicContact CD1-CG 3.84Å; V56-Y63 HydrophobicContact CG1-CE2 3.88Å; Y60-Y63 HydrophobicContact CD2-CE2 4.13Å; Y60-Y63 HydrophobicContact CG-CE2 4.29Å; Y60-Y63 PolarHBondContact O-N 3.49Å; T61-Y63 PolarHBondContact O-N 2.94Å; Y63-R65 PolarHBondContact O-N 2.76Å; Y63-R65 VanDerWaalsContact O-N 3.12Å
64N94.4Very high94.4Very high24 Ų2470.9 Ų70.913%0.12834%0.342CS..  trans-75.6102.4-178.8-69.3-32.6000110Q28 W33 L34 M62 M68Q28-N64 PolarHBondContact NE2-ND2 3.12Å; W33-N64 CarbonylContact C-O 3.56Å; W33-N64 WeakPolarHBondContact CA-O 3.44Å; W33-N64 HydrophobicContact CB-CB 4.15Å; W33-N64 WeakPolarHBondContact CB-O 3.44Å; L34-N64 PolarHBondContact N-O 2.9Å; M62-N64 PolarHBondContact O-N 3.17Å; N64-M68 HydrophobicContact CB-CG 3.75Å
65R92.6Very high94.5Very high141 Ų14167.6 Ų67.653%0.53233%0.329SS..  trans-86.8-9.7179.2-65.1-177.7-72.9136.1-1.5114M39 A57 Y63M39-R65 HydrophobicContact CE-CG 3.92Å; A57-R65 WeakPolarHBondContact O-CD 3.2Å; Y63-R65 PolarHBondContact O-N 2.76Å; Y63-R65 VanDerWaalsContact O-N 3.12Å
66K91.5Very high94.5Very high164 Ų16464.2 Ų64.271%0.71331%0.313SS*.SBendtrans-110.8151.7174.4-64.9-180-179.2176.90108.8W33 M68W33-K66 WeakPolarHBondContact CB-O 3.49Å; K66-M68 PolarHBondContact O-N 3.41Å
67P91.6Very high94.5Very high86 Ų8664 Ų6456%0.55831%0.312SS*.  trans-55.7127.4169.2-22.233.1000110.1W33W33-P67 HydrophobicContact CD2-CG 4.25Å; W33-P67 HydrophobicContact CE3-CG 4.43Å; W33-P67 HydrophobicContact CH2-CG 4.24Å; W33-P67 HydrophobicContact CZ2-CG 4.06Å; W33-P67 HydrophobicContact CZ3-CG 4.42Å
68M91.8Very high94.5Very high48 Ų4865 Ų6524%0.23632%0.318CS..  trans-107.6161.7177.2-60.3-70.3-7900109.4N64 K66 H72 T111N64-M68 HydrophobicContact CB-CG 3.75Å; K66-M68 PolarHBondContact O-N 3.41Å; M68-H72 HydrophobicContact CE-CB 4.42Å; M68-H72 VanDerWaalsContact CE-CD2 3.41Å; M68-H72 WeakPolarHBondContact CE-CD2 3.43Å; M68-H72 WeakPolarHBondContact CE-NE2 3.25Å; M68-T111 HydrophobicContact CE-CG2 3.32Å; M68-T111 HydrophobicContact SD-CG2 3.81Å
69G91.5Very high94.6Very high11 Ų1165.7 Ų65.711%0.11332%0.322CS..  trans-63.5167166.600000111.7H71 G108 T111G69-H71 PolarHBondContact O-N 3.03Å; G69-G108 CarbonylContact C-O 3.59Å; G69-G108 WeakPolarHBondContact CA-O 3.21Å; G69-T111 PolarHBondContact N-OG1 2.91Å
70K92.6Very high94.6Very high152 Ų15260.9 Ų60.966%0.66131%0.306SS*.SBendtrans-54.9-34.1179.4-173.8179.3177.1-173.30113.6G108 K109K70-G108 PolarHBondContact N-O 2.78Å; K70-K109 PolarHBondContact N-O 3.06Å; K70-K109 VanDerWaalsContact N-O 3.1Å
71H95Very high94.6Very high29 Ų2956.7 Ų56.713%0.13429%0.29CS..EExtended strand (participates in β ladder)trans-121.7127.8-180-63.1-65.3000110.3G69 K109 F110 T111 I129 D130 V149G69-H71 PolarHBondContact O-N 3.03Å; H71-K109 PolarHBondContact N-O 3Å; H71-F110 HydrophobicContact CB-CD1 3.75Å; H71-F110 HydrophobicContact CB-CE1 3.89Å; H71-F110 CarbonylContact O-C 3.52Å; H71-F110 WeakPolarHBondContact O-CA 3.43Å; H71-T111 PolarHBondContact O-N 3.18Å; H71-I129 HydrophobicContact CB-CG2 4.04Å; H71-D130 WeakPolarHBondContact CA-OD1 3.38Å; H71-D130 IonicContact CE1-OD2 3.71Å; H71-D130 IonicContact CG-OD2 3.8Å; H71-D130 IonicContact ND1-OD2 2.83Å; H71-D130 PolarHBondContact ND1-OD2 3.5Å; H71-V149 HydrophobicContact CB-CG1 4.15Å; H71-V149 VanDerWaalsContact CD2-CG1 3.47Å; H71-V149 WeakPolarHBondContact CD2-CG1 3.21Å
72H95.3Very high94.8Very high27 Ų2754.2 Ų54.213%0.12527%0.27CS..EExtended strand (participates in β ladder)trans-99.6106.3176.6-173.9-166.6000109.9M68 Q74 S113 I129 D130M68-H72 HydrophobicContact CE-CB 4.42Å; M68-H72 VanDerWaalsContact CE-CD2 3.41Å; M68-H72 WeakPolarHBondContact CE-CD2 3.43Å; M68-H72 WeakPolarHBondContact CE-NE2 3.25Å; H72-Q74 WeakPolarHBondContact NE2-CG 3.42Å; H72-S113 WeakPolarHBondContact NE2-CB 3.37Å; H72-S113 PolarHBondContact NE2-OG 3.09Å; H72-I129 WeakPolarHBondContact O-CA 3.44Å; H72-D130 PolarHBondContact N-OD1 3.14Å; H72-D130 PolarHBondContact O-N 3.2Å
73V96.6Very high94.9Very high0 Ų053.9 Ų53.90%027%0.271CS..EExtended strand (participates in β ladder)trans-90.6115.4177.8-174.40000108.6V75 F110 T111 L112 S113 M127 I129 L146V73-V75 HydrophobicContact CG1-CG2 4.27Å; V73-F110 HydrophobicContact CG2-CD1 3.66Å; V73-F110 HydrophobicContact CG2-CE1 4.29Å; V73-T111 PolarHBondContact N-O 3.44Å; V73-L112 HydrophobicContact CB-CD1 4.04Å; V73-L112 HydrophobicContact CG1-CD1 3.77Å; V73-L112 CarbonylContact O-C 3.53Å; V73-L112 WeakPolarHBondContact O-CA 3.37Å; V73-S113 PolarHBondContact O-N 3.05Å; V73-M127 HydrophobicContact CG1-SD 4.31Å; V73-I129 HydrophobicContact CG1-CG1 4.31Å; V73-I129 HydrophobicContact CG2-CD1 4.33Å; V73-I129 HydrophobicContact CG2-CG1 4.18Å; V73-I129 HydrophobicContact CG2-CG2 4.37Å; V73-L146 HydrophobicContact CG1-CD2 4.36Å; V73-L146 HydrophobicContact CG2-CD2 3.93Å
74Q96.9Very high94.9Very high28 Ų2860.2 Ų60.213%0.13129%0.294CS..EExtended strand (participates in β ladder)trans-115.7108.7-176.9-67177.289.900108.6H72 S113 V115 M127 Q128H72-Q74 WeakPolarHBondContact NE2-CG 3.42Å; Q74-S113 CarbonylContact C-O 3.52Å; Q74-S113 WeakPolarHBondContact CA-O 3.35Å; Q74-V115 HydrophobicContact CB-CB 4.49Å; Q74-V115 HydrophobicContact CB-CG1 3.77Å; Q74-V115 HydrophobicContact CB-CG2 3.86Å; Q74-V115 HydrophobicContact CG-CG1 3.89Å; Q74-M127 CarbonylContact O-C 3.52Å; Q74-M127 VanDerWaalsContact O-CA 3.29Å; Q74-M127 WeakPolarHBondContact O-CA 3.43Å; Q74-Q128 HydrophobicContact CB-CB 4.22Å; Q74-Q128 PolarHBondContact N-O 3.49Å; Q74-Q128 PolarHBondContact O-N 2.98Å
75V97.1Very high94.9Very high0 Ų059.9 Ų59.90%030%0.297CS..EExtended strand (participates in β ladder)trans-99.7123.5-179.4-176.10000109.1V73 T77 V89 L90 L112 S113 V115 M127V73-V75 HydrophobicContact CG1-CG2 4.27Å; V75-T77 HydrophobicContact CG1-CG2 4.41Å; V75-T77 PolarHBondContact O-N 2.95Å; V75-V89 HydrophobicContact CG1-CG1 4.19Å; V75-L90 HydrophobicContact CB-CD1 4.13Å; V75-L90 HydrophobicContact CG1-CB 4.16Å; V75-L90 HydrophobicContact CG2-CD1 4.13Å; V75-L112 HydrophobicContact CG2-CD1 3.86Å; V75-S113 PolarHBondContact N-O 3.39Å; V75-V115 WeakPolarHBondContact O-CG2 3.36Å; V75-V115 PolarHBondContact O-N 2.81Å; V75-M127 HydrophobicContact CG2-CB 4.13Å
76C97Very high95Very high2 Ų253.2 Ų53.21%0.01427%0.272CS..EExtended strand (participates in β ladder)trans-79115.7176.71770000110.1T78 C81 A86 L118 M126C76-T78 PolarHBondContact SG-OG1 3.28Å; C76-C81 HydrophobicContact CB-CB 4.43Å; C76-C81 WeakPolarHBondContact O-CB 3.38Å; C76-A86 VanDerWaalsContact O-CB 3.25Å; C76-A86 WeakPolarHBondContact O-CB 3.29Å; C76-L118 HydrophobicContact CB-CD1 4.31Å; C76-L118 HydrophobicContact CB-CG 4.34Å; C76-M126 HydrophobicContact CB-CG 4.35Å; C76-M126 HydrophobicContact CB-SD 3.75Å; C76-M126 PolarHBondContact N-O 3.13Å
77T95.8Very high95.2Very high20 Ų2049.7 Ų49.712%0.12326%0.258CS..  trans-109.610.6178.955.50000113.3V75 L90 E114 V115V75-T77 HydrophobicContact CG1-CG2 4.41Å; V75-T77 PolarHBondContact O-N 2.95Å; T77-L90 HydrophobicContact CG2-CD2 4Å; T77-E114 VanDerWaalsContact CB-OE1 3.3Å; T77-E114 WeakPolarHBondContact CB-OE1 3.36Å; T77-E114 HydrophobicContact CG2-CG 3.76Å; T77-E114 VanDerWaalsContact OG1-CD 3.28Å; T77-E114 WeakPolarHBondContact OG1-CG 3.11Å; T77-E114 PolarHBondContact OG1-OE1 3.33Å; T77-V115 PolarHBondContact N-O 3.15Å
78T96.2Very high95.4Very high22 Ų2250.3 Ų50.314%0.13525%0.253CS..SBendtrans-66.3163.5177.361.90000113.3C76 P80 C81 M82 E116 C117C76-T78 PolarHBondContact SG-OG1 3.28Å; T78-P80 VanDerWaalsContact O-N 3.09Å; T78-C81 CarbonylContact O-C 3.6Å; T78-C81 WeakPolarHBondContact O-CA 3.27Å; T78-C81 PolarHBondContact O-N 2.76Å; T78-M82 PolarHBondContact O-N 3.09Å; T78-E116 VanDerWaalsContact CG2-C 3.48Å; T78-E116 HydrophobicContact CG2-CB 4.29Å; T78-E116 WeakPolarHBondContact CG2-OE2 3.24Å; T78-C117 HydrophobicContact CG2-CB 4.03Å
79T96.5Very high95.6Very high92 Ų9248.1 Ų48.156%0.56424%0.243SC*.Hα-helixtrans-44.1-48-169-39.50000115.5C81 M82 L83T79-C81 VanDerWaalsContact C-N 3.34Å; T79-C81 PolarHBondContact O-N 3.47Å; T79-M82 HydrophobicContact CG2-CE 4.34Å; T79-M82 PolarHBondContact O-N 3.36Å; T79-L83 HydrophobicContact CG2-CD1 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.45Å; T79-L83 VanDerWaalsContact O-CG 3.24Å; T79-L83 WeakPolarHBondContact O-CG 3.28Å; T79-L83 PolarHBondContact O-N 3.25Å
80P96.1Very high95.9Very high53 Ų5348.4 Ų48.434%0.34424%0.241SC..Hα-helixtrans-63.8-37.3178.9-21.935.1000113.4T78 R84 C121T78-P80 VanDerWaalsContact O-N 3.09Å; P80-R84 WeakPolarHBondContact O-CG 3.35Å; P80-C121 HydrophobicContact CB-CB 4.16Å; P80-C121 HydrophobicContact CG-CB 4.49Å
81C96.7Very high96Very high2 Ų248.8 Ų48.81%0.01424%0.239CC..Hα-helixtrans-76.6-39.8176.5-73.20000111.7C76 T78 T79 L83 R84 G85 A86 A124C76-C81 HydrophobicContact CB-CB 4.43Å; C76-C81 WeakPolarHBondContact O-CB 3.38Å; T78-C81 CarbonylContact O-C 3.6Å; T78-C81 WeakPolarHBondContact O-CA 3.27Å; T78-C81 PolarHBondContact O-N 2.76Å; T79-C81 VanDerWaalsContact C-N 3.34Å; T79-C81 PolarHBondContact O-N 3.47Å; C81-L83 PolarHBondContact O-N 3.41Å; C81-R84 CarbonylContact O-C 3.47Å; C81-R84 WeakPolarHBondContact O-CA 3.46Å; C81-R84 PolarHBondContact O-N 3.39Å; C81-G85 PolarHBondContact O-N 3.22Å; C81-A86 VanDerWaalsContact C-CB 3.42Å; C81-A86 HydrophobicContact CB-CB 3.72Å; C81-A86 WeakPolarHBondContact O-CB 3.44Å; C81-A86 PolarHBondContact O-N 2.93Å; C81-A124 HydrophobicContact CB-CB 4.43Å
82M95.9Very high96.1Very high84 Ų8448.8 Ų48.841%0.41424%0.241SC..Hα-helixtrans-56.1-48.1173.8-172.3-173.376.200111.5T78 T79 R84 G85 E87T78-M82 PolarHBondContact O-N 3.09Å; T79-M82 HydrophobicContact CG2-CE 4.34Å; T79-M82 PolarHBondContact O-N 3.36Å; M82-R84 PolarHBondContact O-N 2.71Å; M82-G85 PolarHBondContact O-N 2.8Å; M82-E87 HydrophobicContact CG-CG 4.49Å
83L96.7Very high96.2Very high128 Ų12847.5 Ų47.567%0.6724%0.235SC*.THydrogen-bonded Turntrans-60.6-17.8175.9-71.4173.3000113.7T79 C81T79-L83 HydrophobicContact CG2-CD1 4.33Å; T79-L83 WeakPolarHBondContact O-CB 3.45Å; T79-L83 VanDerWaalsContact O-CG 3.24Å; T79-L83 WeakPolarHBondContact O-CG 3.28Å; T79-L83 PolarHBondContact O-N 3.25Å; C81-L83 PolarHBondContact O-N 3.41Å
84R95.7Very high96.2Very high151 Ų15149.5 Ų49.557%0.5724%0.244SC*.THydrogen-bonded Turntrans-103.93.5-178.6-73.4-95.632.882.34.3113.6P80 C81 M82 A124P80-R84 WeakPolarHBondContact O-CG 3.35Å; C81-R84 CarbonylContact O-C 3.47Å; C81-R84 WeakPolarHBondContact O-CA 3.46Å; C81-R84 PolarHBondContact O-N 3.39Å; M82-R84 PolarHBondContact O-N 2.71Å; R84-A124 HydrophobicContact CB-CB 3.85Å; R84-A124 HydrophobicContact CG-CB 3.81Å
85G94.2Very high96.2Very high18 Ų1857.1 Ų57.119%0.18628%0.277CS..THydrogen-bonded Turntrans93.531175.800000114.5C81 M82 E87 E88 V89C81-G85 PolarHBondContact O-N 3.22Å; M82-G85 PolarHBondContact O-N 2.8Å; G85-E87 VanDerWaalsContact C-N 3.28Å; G85-E87 PolarHBondContact O-N 2.73Å; G85-E88 WeakPolarHBondContact CA-OE2 3.39Å; G85-E88 PolarHBondContact O-N 3.25Å; G85-E88 VanDerWaalsContact O-OE2 3.07Å; G85-V89 PolarHBondContact O-N 2.88Å
86A95.1Very high96.1Very high1 Ų160.4 Ų60.41%0.00829%0.292CS..Hα-helixtrans-68.2-24.9178.900000113.9C76 C81 E88 V89 L90 P125C76-A86 VanDerWaalsContact O-CB 3.25Å; C76-A86 WeakPolarHBondContact O-CB 3.29Å; C81-A86 VanDerWaalsContact C-CB 3.42Å; C81-A86 HydrophobicContact CB-CB 3.72Å; C81-A86 WeakPolarHBondContact O-CB 3.44Å; C81-A86 PolarHBondContact O-N 2.93Å; A86-E88 VanDerWaalsContact C-N 3.32Å; A86-V89 WeakPolarHBondContact O-CB 3.5Å; A86-V89 PolarHBondContact O-N 3.29Å; A86-L90 PolarHBondContact O-N 3Å; A86-P125 HydrophobicContact CB-CB 4.08Å
87E94.9Very high96Very high90 Ų9061.8 Ų61.842%0.42130%0.299SS..Hα-helixtrans-64-40.4173.4-69.6-171.5-168.400111.2M82 G85 V89 L90 R91M82-E87 HydrophobicContact CG-CG 4.49Å; G85-E87 VanDerWaalsContact C-N 3.28Å; G85-E87 PolarHBondContact O-N 2.73Å; E87-V89 VanDerWaalsContact C-N 3.32Å; E87-L90 PolarHBondContact O-N 3.37Å; E87-R91 WeakPolarHBondContact O-CB 3.4Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 2.97Å; E87-R91 IonicContact OE2-NH2 3.85Å
88E95.7Very high96Very high98 Ų9864 Ų6446%0.45833%0.327SS..Hα-helixtrans-67.3-35.8175.9-63.685.8164.300111.3G85 A86 T92 L139G85-E88 WeakPolarHBondContact CA-OE2 3.39Å; G85-E88 PolarHBondContact O-N 3.25Å; G85-E88 VanDerWaalsContact O-OE2 3.07Å; A86-E88 VanDerWaalsContact C-N 3.32Å; E88-T92 VanDerWaalsContact O-CB 3.23Å; E88-T92 WeakPolarHBondContact O-CB 3.37Å; E88-T92 PolarHBondContact O-N 3.13Å; E88-T92 PolarHBondContact O-OG1 3.35Å; E88-L139 HydrophobicContact CB-CD2 3.74Å
89V96.4Very high96Very high2 Ų263.8 Ų63.81%0.01232%0.324CS..Hα-helixtrans-62.4-48.2171.9172.60000110.5V75 G85 A86 E87 T92 A93 P125 L137 L139 T142V75-V89 HydrophobicContact CG1-CG1 4.19Å; G85-V89 PolarHBondContact O-N 2.88Å; A86-V89 WeakPolarHBondContact O-CB 3.5Å; A86-V89 PolarHBondContact O-N 3.29Å; E87-V89 VanDerWaalsContact C-N 3.32Å; V89-T92 PolarHBondContact O-N 3.13Å; V89-A93 PolarHBondContact O-N 3.13Å; V89-P125 HydrophobicContact CG2-CB 4.15Å; V89-P125 HydrophobicContact CG2-CG 3.95Å; V89-L137 HydrophobicContact CG1-CD1 4.21Å; V89-L137 HydrophobicContact CG2-CB 4.36Å; V89-L139 HydrophobicContact CG2-CD2 4.3Å; V89-T142 HydrophobicContact CG1-CG2 4.04Å
90L96.6Very high95.9Very high17 Ų1765 Ų659%0.08932%0.323CS..Hα-helixtrans-60.7-50.3177.9-179.861.5000111.4V75 T77 A86 E87 T92 A93 E94 A101 L112 E114V75-L90 HydrophobicContact CB-CD1 4.13Å; V75-L90 HydrophobicContact CG1-CB 4.16Å; V75-L90 HydrophobicContact CG2-CD1 4.13Å; T77-L90 HydrophobicContact CG2-CD2 4Å; A86-L90 PolarHBondContact O-N 3Å; E87-L90 PolarHBondContact O-N 3.37Å; L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 3.1Å; L90-A93 WeakPolarHBondContact O-CB 3.41Å; L90-A93 PolarHBondContact O-N 3.15Å; L90-A93 VanDerWaalsContact O-N 3.09Å; L90-E94 HydrophobicContact CD1-CG 4.43Å; L90-E94 HydrophobicContact CG-CG 4.49Å; L90-E94 WeakPolarHBondContact O-CG 3.32Å; L90-E94 PolarHBondContact O-N 2.93Å; L90-A101 HydrophobicContact CD1-CB 4.35Å; L90-L112 HydrophobicContact CD1-CD1 4.12Å; L90-L112 HydrophobicContact CD1-CD2 3.98Å; L90-L112 HydrophobicContact CD1-CG 4.15Å; L90-E114 HydrophobicContact CD2-CB 4.49Å; L90-E114 HydrophobicContact CD2-CG 4.46Å
91R96.6Very high95.8Very high161 Ų16164 Ų6461%0.60832%0.32SS*.Hα-helixtrans-60.1-35.9177.5-71.1178.2-169.6-164.78.5112.4E87 K95E87-R91 WeakPolarHBondContact O-CB 3.4Å; E87-R91 VanDerWaalsContact O-CG 3.3Å; E87-R91 WeakPolarHBondContact O-CG 3.33Å; E87-R91 PolarHBondContact O-N 2.97Å; E87-R91 IonicContact OE2-NH2 3.85Å; R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.43Å; R91-K95 PolarHBondContact O-N 2.7Å
92T96.8Very high95.6Very high28 Ų2866.9 Ų66.917%0.17235%0.35CS..Hα-helixtrans-66.8-43.3175.5-61.50000110.9E88 V89 L90 K95 H96 L139 V143E88-T92 VanDerWaalsContact O-CB 3.23Å; E88-T92 WeakPolarHBondContact O-CB 3.37Å; E88-T92 PolarHBondContact O-N 3.13Å; E88-T92 PolarHBondContact O-OG1 3.35Å; V89-T92 PolarHBondContact O-N 3.13Å; L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 3.1Å; T92-K95 PolarHBondContact O-N 3.02Å; T92-H96 VanDerWaalsContact O-CB 3.29Å; T92-H96 WeakPolarHBondContact O-CB 3.24Å; T92-H96 PolarHBondContact O-N 3.28Å; T92-L139 HydrophobicContact CG2-CB 4.32Å; T92-V143 HydrophobicContact CG2-CG2 3.72Å
93A96.6Very high95.6Very high0 Ų067.3 Ų67.30%035%0.351CS..Hα-helixtrans-63.6-44.1174.800000112V89 L90 H96 L97 L112 T142 L146V89-A93 PolarHBondContact O-N 3.13Å; L90-A93 WeakPolarHBondContact O-CB 3.41Å; L90-A93 PolarHBondContact O-N 3.15Å; L90-A93 VanDerWaalsContact O-N 3.09Å; A93-H96 PolarHBondContact O-N 3.4Å; A93-L97 WeakPolarHBondContact O-CB 3.47Å; A93-L97 WeakPolarHBondContact O-CG 3.14Å; A93-L97 PolarHBondContact O-N 2.85Å; A93-L112 HydrophobicContact CB-CD1 4.18Å; A93-L112 HydrophobicContact CB-CD2 4.31Å; A93-T142 HydrophobicContact CB-CG2 4.23Å; A93-L146 HydrophobicContact CB-CD1 4.08Å
94E96.8Very high95.5Very high42 Ų4263.9 Ų63.920%0.19634%0.335CS..Hα-helixtrans-58.8-49.5175.3-72.8-170.3141.400111.6L90 H96 G98 I99 H100 A101 L112L90-E94 HydrophobicContact CD1-CG 4.43Å; L90-E94 HydrophobicContact CG-CG 4.49Å; L90-E94 WeakPolarHBondContact O-CG 3.32Å; L90-E94 PolarHBondContact O-N 2.93Å; E94-H96 PolarHBondContact O-N 2.88Å; E94-G98 WeakPolarHBondContact O-CA 3.37Å; E94-G98 PolarHBondContact O-N 2.82Å; E94-I99 CarbonylContact C-O 3.59Å; E94-I99 WeakPolarHBondContact CA-O 3.43Å; E94-I99 WeakPolarHBondContact CB-O 3.25Å; E94-I99 WeakPolarHBondContact CG-O 3.33Å; E94-I99 PolarHBondContact O-N 2.85Å; E94-H100 VanDerWaalsContact OE1-CA 3.28Å; E94-H100 WeakPolarHBondContact OE1-CA 3.38Å; E94-H100 IonicContact OE1-ND1 3.53Å; E94-H100 IonicContact OE2-ND1 3.93Å; E94-A101 PolarHBondContact OE1-N 2.62Å; E94-L112 HydrophobicContact CB-CD2 4.37Å; E94-L112 HydrophobicContact CG-CD2 3.52Å
95K96.5Very high95.5Very high188 Ų18857.3 Ų57.382%0.81731%0.312SS*.Hα-helixtrans-62.7-41.1179.1-177.1179.4177.6-177.90112.3R91 T92R91-K95 VanDerWaalsContact O-CB 3.27Å; R91-K95 WeakPolarHBondContact O-CB 3.43Å; R91-K95 PolarHBondContact O-N 2.7Å; T92-K95 PolarHBondContact O-N 3.02Å
96H95.8Very high95.4Very high70 Ų7062 Ų6232%0.32435%0.348SS..Hα-helixtrans-71.6-40.2-178.5-171.263.9000112.5T92 A93 E94 V143 L146 D147T92-H96 VanDerWaalsContact O-CB 3.29Å; T92-H96 WeakPolarHBondContact O-CB 3.24Å; T92-H96 PolarHBondContact O-N 3.28Å; A93-H96 PolarHBondContact O-N 3.4Å; E94-H96 PolarHBondContact O-N 2.88Å; H96-V143 HydrophobicContact CB-CG2 4.47Å; H96-L146 HydrophobicContact CB-CD1 4.49Å; H96-D147 IonicContact CD2-OD1 3.99Å; H96-D147 IonicContact CE1-OD1 3.27Å; H96-D147 PolarHBondContact CE1-OD1 3.24Å; H96-D147 VanDerWaalsContact CE1-OD1 3.27Å; H96-D147 IonicContact CE1-OD2 3.67Å; H96-D147 IonicContact NE2-OD1 2.73Å; H96-D147 PolarHBondContact NE2-OD1 3.31Å; H96-D147 IonicContact NE2-OD2 3.69Å
97L94.7Very high95.3Very high30 Ų3065.9 Ų65.916%0.15737%0.369CS..Hα-helixtrans-84.5-16.5179.8-62.8175.6000113.3A93 I99 T105 F110 L146A93-L97 WeakPolarHBondContact O-CB 3.47Å; A93-L97 WeakPolarHBondContact O-CG 3.14Å; A93-L97 PolarHBondContact O-N 2.85Å; L97-I99 VanDerWaalsContact C-N 3.33Å; L97-I99 HydrophobicContact CB-CD1 4.22Å; L97-I99 HydrophobicContact CB-CG1 3.65Å; L97-I99 HydrophobicContact CD1-CD1 4.26Å; L97-I99 HydrophobicContact CD1-CG1 4.45Å; L97-T105 HydrophobicContact CB-CG2 4.09Å; L97-T105 HydrophobicContact CD2-CG2 4.48Å; L97-F110 HydrophobicContact CD1-CB 4.09Å; L97-F110 HydrophobicContact CD1-CG 4.4Å; L97-F110 HydrophobicContact CD2-CB 4.24Å; L97-F110 HydrophobicContact CD2-CD2 3.63Å; L97-F110 HydrophobicContact CD2-CE2 4.11Å; L97-F110 HydrophobicContact CD2-CG 3.95Å; L97-L146 HydrophobicContact CD1-CD1 4.34Å; L97-L146 HydrophobicContact CD1-CD2 4.31Å; L97-L146 HydrophobicContact CD2-CD1 4.41Å; L97-L146 HydrophobicContact CG-CD1 4.16Å
98G94.9Very high95.1Very high68 Ų6863.4 Ų63.470%0.70137%0.368SS*.THydrogen-bonded Turntrans69.928.3-177.500000113.5E94E94-G98 WeakPolarHBondContact O-CA 3.37Å; E94-G98 PolarHBondContact O-N 2.82Å
99I96.2Very high95Very high16 Ų1662.5 Ų62.58%0.08236%0.363CS..  trans-135.9160.8-178.556.4162.9000110.5E94 L97 Q103 T105 L112E94-I99 CarbonylContact C-O 3.59Å; E94-I99 WeakPolarHBondContact CA-O 3.43Å; E94-I99 WeakPolarHBondContact CB-O 3.25Å; E94-I99 WeakPolarHBondContact CG-O 3.33Å; E94-I99 PolarHBondContact O-N 2.85Å; L97-I99 VanDerWaalsContact C-N 3.33Å; L97-I99 HydrophobicContact CB-CD1 4.22Å; L97-I99 HydrophobicContact CB-CG1 3.65Å; L97-I99 HydrophobicContact CD1-CD1 4.26Å; L97-I99 HydrophobicContact CD1-CG1 4.45Å; I99-Q103 HydrophobicContact CB-CB 4.12Å; I99-Q103 WeakPolarHBondContact CD1-O 3.36Å; I99-T105 HydrophobicContact CD1-CG2 3.8Å; I99-T105 HydrophobicContact CG1-CG2 4.15Å; I99-T105 HydrophobicContact CG2-CG2 3.99Å; I99-L112 HydrophobicContact CD1-CB 3.69Å; I99-L112 HydrophobicContact CG1-CB 4.42Å
100H95.3Very high95Very high117 Ų11762.6 Ų62.654%0.54236%0.363SS..  trans-94.4160.3170.1-67.8-65.2000112.3E94 G102 Q103E94-H100 VanDerWaalsContact OE1-CA 3.28Å; E94-H100 WeakPolarHBondContact OE1-CA 3.38Å; E94-H100 IonicContact OE1-ND1 3.53Å; E94-H100 IonicContact OE2-ND1 3.93Å; H100-G102 PolarHBondContact O-N 3.29Å; H100-Q103 HydrophobicContact CB-CG 4.46Å; H100-Q103 VanDerWaalsContact O-CB 3.3Å; H100-Q103 WeakPolarHBondContact O-CB 3.18Å; H100-Q103 PolarHBondContact O-N 3.02Å
101A93.7Very high95Very high34 Ų3462 Ų6228%0.28136%0.36SS..THydrogen-bonded Turntrans-51.5131.4170.200000111.4L90 E94 E114L90-A101 HydrophobicContact CD1-CB 4.35Å; E94-A101 PolarHBondContact OE1-N 2.62Å; A101-E114 HydrophobicContact CB-CB 4.22Å
102G93Very high95Very high62 Ų6254.3 Ų54.364%0.63933%0.331SS*.THydrogen-bonded Turntrans91.1-2.4-174.600000115H100 L112H100-G102 PolarHBondContact O-N 3.29Å; G102-L112 WeakPolarHBondContact CA-O 3.5Å; G102-L112 PolarHBondContact N-O 3.46Å
103Q94.8Very high95Very high93 Ų9354 Ų5444%0.43533%0.33SS..  trans-105.8161.1178.7-59.7-179-23.500112.6I99 H100 T111 L112I99-Q103 HydrophobicContact CB-CB 4.12Å; I99-Q103 WeakPolarHBondContact CD1-O 3.36Å; H100-Q103 HydrophobicContact CB-CG 4.46Å; H100-Q103 VanDerWaalsContact O-CB 3.3Å; H100-Q103 WeakPolarHBondContact O-CB 3.18Å; H100-Q103 PolarHBondContact O-N 3.02Å; Q103-T111 WeakPolarHBondContact O-CA 3.2Å; Q103-L112 PolarHBondContact O-N 3.41Å; Q103-L112 VanDerWaalsContact O-N 3.13Å
104T95.5Very high94.9Very high56 Ų5659.3 Ų59.334%0.34436%0.355SS..BIsolated β-bridgetrans-112.4139.2175.5-54.50000109.1F110 T111T104-F110 CarbonylContact C-O 3.54Å; T104-F110 VanDerWaalsContact CA-O 3.28Å; T104-F110 WeakPolarHBondContact CA-O 3.46Å; T104-F110 WeakPolarHBondContact CG2-O 3.47Å; T104-T111 WeakPolarHBondContact CG2-OG1 3.38Å; T104-T111 PolarHBondContact OG1-OG1 3.03Å
105T95.3Very high94.9Very high12 Ų1258.6 Ų58.67%0.07435%0.353CS..  trans-62.7148.2176.653.90000111.3L97 I99 D107 G108 K109 F110L97-T105 HydrophobicContact CB-CG2 4.09Å; L97-T105 HydrophobicContact CD2-CG2 4.48Å; I99-T105 HydrophobicContact CD1-CG2 3.8Å; I99-T105 HydrophobicContact CG1-CG2 4.15Å; I99-T105 HydrophobicContact CG2-CG2 3.99Å; T105-D107 WeakPolarHBondContact CB-OD1 3.37Å; T105-D107 PolarHBondContact O-N 3.31Å; T105-D107 VanDerWaalsContact O-N 3.13Å; T105-D107 PolarHBondContact OG1-OD1 3.46Å; T105-G108 PolarHBondContact O-N 3.44Å; T105-K109 PolarHBondContact OG1-N 2.9Å; T105-F110 HydrophobicContact CG2-CB 3.92Å; T105-F110 PolarHBondContact N-O 2.9Å; T105-F110 PolarHBondContact OG1-N 3.13Å; T105-F110 PolarHBondContact OG1-O 3.45Å
106A92.4Very high94.9Very high116 Ų11656.8 Ų56.896%0.95935%0.347SS*.THydrogen-bonded Turntrans-61.6-23.6-177.200000113.8G108A106-G108 PolarHBondContact O-N 3.14Å
107D92.5Very high94.9Very high83 Ų8356.9 Ų56.944%0.44436%0.355SS..THydrogen-bonded Turntrans-80.1-1.3174.567.6-5.8000113.6T105 K109T105-D107 WeakPolarHBondContact CB-OD1 3.37Å; T105-D107 PolarHBondContact O-N 3.31Å; T105-D107 VanDerWaalsContact O-N 3.13Å; T105-D107 PolarHBondContact OG1-OD1 3.46Å; D107-K109 HydrophobicContact CB-CG 4.32Å; D107-K109 PolarHBondContact O-N 2.91Å; D107-K109 WeakPolarHBondContact OD1-CB 3.3Å; D107-K109 PolarHBondContact OD1-N 3.15Å; D107-K109 VanDerWaalsContact OD2-CD 3.26Å; D107-K109 WeakPolarHBondContact OD2-CD 3.47Å; D107-K109 WeakPolarHBondContact OD2-CG 3.39Å
108G91.7Very high95Very high38 Ų3857 Ų5739%0.39236%0.356SS..SBendtrans6715.8-178.800000114G69 K70 T105 A106G69-G108 CarbonylContact C-O 3.59Å; G69-G108 WeakPolarHBondContact CA-O 3.21Å; K70-G108 PolarHBondContact N-O 2.78Å; T105-G108 PolarHBondContact O-N 3.44Å; A106-G108 PolarHBondContact O-N 3.14Å
109K93.2Very high95Very high80 Ų8056.7 Ų56.735%0.34835%0.353SS..SBendtrans-87.7-43.2-176.8-68.3-169.5-173.7-177.70113.7K70 H71 T105 D107 K150K70-K109 PolarHBondContact N-O 3.06Å; K70-K109 VanDerWaalsContact N-O 3.1Å; H71-K109 PolarHBondContact N-O 3Å; T105-K109 PolarHBondContact OG1-N 2.9Å; D107-K109 HydrophobicContact CB-CG 4.32Å; D107-K109 PolarHBondContact O-N 2.91Å; D107-K109 WeakPolarHBondContact OD1-CB 3.3Å; D107-K109 PolarHBondContact OD1-N 3.15Å; D107-K109 VanDerWaalsContact OD2-CD 3.26Å; D107-K109 WeakPolarHBondContact OD2-CD 3.47Å; D107-K109 WeakPolarHBondContact OD2-CG 3.39Å; K109-K150 HydrophobicContact CD-CG 4.34Å; K109-K150 PolarHBondContact NZ-O 3.13Å
110F96Very high95Very high3 Ų356.5 Ų56.51%0.01335%0.353CS..EExtended strand (participates in β ladder)trans-122138.5-173.8-67.5-76.9000111.5H71 V73 L97 T104 T105 L146 V149 K150H71-F110 HydrophobicContact CB-CD1 3.75Å; H71-F110 HydrophobicContact CB-CE1 3.89Å; H71-F110 CarbonylContact O-C 3.52Å; H71-F110 WeakPolarHBondContact O-CA 3.43Å; V73-F110 HydrophobicContact CG2-CD1 3.66Å; V73-F110 HydrophobicContact CG2-CE1 4.29Å; L97-F110 HydrophobicContact CD1-CB 4.09Å; L97-F110 HydrophobicContact CD1-CG 4.4Å; L97-F110 HydrophobicContact CD2-CB 4.24Å; L97-F110 HydrophobicContact CD2-CD2 3.63Å; L97-F110 HydrophobicContact CD2-CE2 4.11Å; L97-F110 HydrophobicContact CD2-CG 3.95Å; T104-F110 CarbonylContact C-O 3.54Å; T104-F110 VanDerWaalsContact CA-O 3.28Å; T104-F110 WeakPolarHBondContact CA-O 3.46Å; T104-F110 WeakPolarHBondContact CG2-O 3.47Å; T105-F110 HydrophobicContact CG2-CB 3.92Å; T105-F110 PolarHBondContact N-O 2.9Å; T105-F110 PolarHBondContact OG1-N 3.13Å; T105-F110 PolarHBondContact OG1-O 3.45Å; F110-L146 HydrophobicContact CD1-CD2 4.5Å; F110-L146 HydrophobicContact CE1-CD2 4.23Å; F110-L146 WeakPolarHBondContact CZ-O 3.38Å; F110-V149 HydrophobicContact CE1-CB 4.04Å; F110-V149 HydrophobicContact CE1-CG1 3.54Å; F110-V149 HydrophobicContact CZ-CB 4.02Å; F110-V149 HydrophobicContact CZ-CG1 3.8Å; F110-K150 HydrophobicContact CE2-CB 3.83Å; F110-K150 HydrophobicContact CE2-CG 4.12Å; F110-K150 HydrophobicContact CZ-CB 4Å
111T96.5Very high95Very high4 Ų453.7 Ų53.73%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-117.8123.1160.6-58.90000108.4M68 G69 H71 V73 Q103 T104M68-T111 HydrophobicContact CE-CG2 3.32Å; M68-T111 HydrophobicContact SD-CG2 3.81Å; G69-T111 PolarHBondContact N-OG1 2.91Å; H71-T111 PolarHBondContact O-N 3.18Å; V73-T111 PolarHBondContact N-O 3.44Å; Q103-T111 WeakPolarHBondContact O-CA 3.2Å; T104-T111 WeakPolarHBondContact CG2-OG1 3.38Å; T104-T111 PolarHBondContact OG1-OG1 3.03Å
112L97Very high95.1Very high0 Ų055.2 Ų55.20%036%0.359CS..EExtended strand (participates in β ladder)trans-93132.4177.9-177.361.1000108.6V73 V75 L90 A93 E94 I99 G102 Q103V73-L112 HydrophobicContact CB-CD1 4.04Å; V73-L112 HydrophobicContact CG1-CD1 3.77Å; V73-L112 CarbonylContact O-C 3.53Å; V73-L112 WeakPolarHBondContact O-CA 3.37Å; V75-L112 HydrophobicContact CG2-CD1 3.86Å; L90-L112 HydrophobicContact CD1-CD1 4.12Å; L90-L112 HydrophobicContact CD1-CD2 3.98Å; L90-L112 HydrophobicContact CD1-CG 4.15Å; A93-L112 HydrophobicContact CB-CD1 4.18Å; A93-L112 HydrophobicContact CB-CD2 4.31Å; E94-L112 HydrophobicContact CB-CD2 4.37Å; E94-L112 HydrophobicContact CG-CD2 3.52Å; I99-L112 HydrophobicContact CD1-CB 3.69Å; I99-L112 HydrophobicContact CG1-CB 4.42Å; G102-L112 WeakPolarHBondContact CA-O 3.5Å; G102-L112 PolarHBondContact N-O 3.46Å; Q103-L112 PolarHBondContact O-N 3.41Å; Q103-L112 VanDerWaalsContact O-N 3.13Å
113S96Very high95.2Very high23 Ų2352.7 Ų52.716%0.16133%0.331CS..EExtended strand (participates in β ladder)trans-136132.9176.1-61.60000109.4H72 V73 Q74 V75H72-S113 WeakPolarHBondContact NE2-CB 3.37Å; H72-S113 PolarHBondContact NE2-OG 3.09Å; V73-S113 PolarHBondContact O-N 3.05Å; Q74-S113 CarbonylContact C-O 3.52Å; Q74-S113 WeakPolarHBondContact CA-O 3.35Å; V75-S113 PolarHBondContact N-O 3.39Å
114E96Very high95.2Very high111 Ų11148.6 Ų48.652%0.51931%0.313SS..EExtended strand (participates in β ladder)trans-77.6129.7163.4-176.1174.8-172.300108.1T77 L90 A101T77-E114 VanDerWaalsContact CB-OE1 3.3Å; T77-E114 WeakPolarHBondContact CB-OE1 3.36Å; T77-E114 HydrophobicContact CG2-CG 3.76Å; T77-E114 VanDerWaalsContact OG1-CD 3.28Å; T77-E114 WeakPolarHBondContact OG1-CG 3.11Å; T77-E114 PolarHBondContact OG1-OE1 3.33Å; L90-E114 HydrophobicContact CD2-CB 4.49Å; L90-E114 HydrophobicContact CD2-CG 4.46Å; A101-E114 HydrophobicContact CB-CB 4.22Å
115V96.2Very high95.3Very high27 Ų2746.4 Ų46.416%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-129.6159.1-177.8-61.10000111.9Q74 V75 T77 L118Q74-V115 HydrophobicContact CB-CB 4.49Å; Q74-V115 HydrophobicContact CB-CG1 3.77Å; Q74-V115 HydrophobicContact CB-CG2 3.86Å; Q74-V115 HydrophobicContact CG-CG1 3.89Å; V75-V115 WeakPolarHBondContact O-CG2 3.36Å; V75-V115 PolarHBondContact O-N 2.81Å; T77-V115 PolarHBondContact N-O 3.15Å; V115-L118 HydrophobicContact CG2-CD1 3.78Å; V115-L118 HydrophobicContact CG2-CD2 4.06Å; V115-L118 HydrophobicContact CG2-CG 3.87Å
116E96.2Very high95.3Very high149 Ų14946 Ų4670%0.69630%0.297SS*.SBendtrans-70.9-170.3173.6-60.6-59.5156.100112T78 L118T78-E116 VanDerWaalsContact CG2-C 3.48Å; T78-E116 HydrophobicContact CG2-CB 4.29Å; T78-E116 WeakPolarHBondContact CG2-OE2 3.24Å; E116-L118 PolarHBondContact O-N 3.45Å; E116-L118 VanDerWaalsContact O-N 3.15Å
117C96.7Very high95.5Very high72 Ų7240.4 Ų40.449%0.48625%0.251SS..  trans-61117.7-173.4-177.90000112T78T78-C117 HydrophobicContact CG2-CB 4.03Å
118L95.4Very high95.7Very high33 Ų3337.8 Ų37.817%0.17324%0.236CC..  trans-904.7176.8-66.5179.8000114C76 V115 E116 A120 M126 Q128 Y133C76-L118 HydrophobicContact CB-CD1 4.31Å; C76-L118 HydrophobicContact CB-CG 4.34Å; V115-L118 HydrophobicContact CG2-CD1 3.78Å; V115-L118 HydrophobicContact CG2-CD2 4.06Å; V115-L118 HydrophobicContact CG2-CG 3.87Å; E116-L118 PolarHBondContact O-N 3.45Å; E116-L118 VanDerWaalsContact O-N 3.15Å; L118-A120 PolarHBondContact O-N 2.79Å; L118-M126 HydrophobicContact CB-CE 3.37Å; L118-M126 HydrophobicContact CB-SD 3.68Å; L118-M126 HydrophobicContact CD1-CE 3.81Å; L118-M126 HydrophobicContact CD1-SD 3.5Å; L118-M126 WeakPolarHBondContact CD1-SD 3.45Å; L118-M126 HydrophobicContact CG-CE 4.24Å; L118-M126 HydrophobicContact CG-SD 4.11Å; L118-Q128 HydrophobicContact CD1-CB 3.76Å; L118-Y133 PolarHBondContact O-OH 3.16Å
119G95.7Very high95.9Very high62 Ų6236.1 Ų36.164%0.63922%0.218SC*.SBendtrans81.13.8171.500000116.7C121G119-C121 PolarHBondContact O-N 2.87Å
120A95.9Very high95.9Very high11 Ų1135 Ų359%0.09122%0.216CC..  trans-98.843.1175.400000112.6L118 A122 N123 M126 Y133L118-A120 PolarHBondContact O-N 2.79Å; A120-A122 VanDerWaalsContact C-N 3.27Å; A120-A122 PolarHBondContact O-N 3.21Å; A120-N123 CarbonylContact O-C 3.54Å; A120-N123 WeakPolarHBondContact O-CA 3.1Å; A120-N123 PolarHBondContact O-N 3.27Å; A120-M126 HydrophobicContact CB-CE 3.59Å; A120-M126 HydrophobicContact CB-CG 4.19Å; A120-Y133 HydrophobicContact CB-CD2 4.3Å; A120-Y133 HydrophobicContact CB-CE2 4.41Å
121C96Very high95.8Very high58 Ų5839.7 Ų39.739%0.39224%0.241SC..G310 helixtrans-60.1-32.7-171.1-55.40000113.8P80 G119 N123P80-C121 HydrophobicContact CB-CB 4.16Å; P80-C121 HydrophobicContact CG-CB 4.49Å; G119-C121 PolarHBondContact O-N 2.87Å; C121-N123 PolarHBondContact O-N 2.83Å
122A95Very high95.8Very high67 Ų6741.7 Ų41.755%0.55425%0.252SS*.G310 helixtrans-67.5-16.4176.600000112.9A120 R163 A166A120-A122 VanDerWaalsContact C-N 3.27Å; A120-A122 PolarHBondContact O-N 3.21Å; A122-R163 PolarHBondContact O-NH1 3.18Å; A122-R163 PolarHBondContact O-NH2 3.41Å; A122-A166 HydrophobicContact CB-CB 4.45Å
123N95.3Very high95.8Very high8 Ų845.5 Ų45.54%0.04327%0.267CS..G310 helixtrans-117.925.8-174.9-61.283.4000113.1A120 C121 E135 D136 R163 A165A120-N123 CarbonylContact O-C 3.54Å; A120-N123 WeakPolarHBondContact O-CA 3.1Å; A120-N123 PolarHBondContact O-N 3.27Å; C121-N123 PolarHBondContact O-N 2.83Å; N123-E135 HydrophobicContact CB-CB 3.56Å; N123-E135 HydrophobicContact CB-CG 4.15Å; N123-E135 VanDerWaalsContact CB-OE2 3.24Å; N123-E135 WeakPolarHBondContact CB-OE2 3.48Å; N123-E135 PolarHBondContact ND2-OE2 3.36Å; N123-D136 WeakPolarHBondContact CA-OD1 3.4Å; N123-D136 PolarHBondContact O-N 2.76Å; N123-R163 PolarHBondContact ND2-NE 3.05Å; N123-R163 PolarHBondContact ND2-NH2 3.41Å; N123-R163 VanDerWaalsContact ND2-NH2 3.14Å; N123-A165 PolarHBondContact ND2-O 3.48Å
124A95.1Very high95.8Very high8 Ų844.6 Ų44.67%0.06626%0.26CS..  trans-68.8144.3177.400000113C81 R84C81-A124 HydrophobicContact CB-CB 4.43Å; R84-A124 HydrophobicContact CB-CB 3.85Å; R84-A124 HydrophobicContact CG-CB 3.81Å
125P96.3Very high95.9Very high10 Ų1040.4 Ų40.47%0.06524%0.24CC..SBendcis-82.5151.8-2.834.7-33000111.6A86 V89 D136 L137A86-P125 HydrophobicContact CB-CB 4.08Å; V89-P125 HydrophobicContact CG2-CB 4.15Å; V89-P125 HydrophobicContact CG2-CG 3.95Å; P125-D136 PolarHBondContact O-N 3.4Å; P125-D136 VanDerWaalsContact O-N 3.17Å; P125-L137 HydrophobicContact CG-CB 4.33Å; P125-L137 VanDerWaalsContact CG-O 3.28Å; P125-L137 WeakPolarHBondContact CG-O 3.32Å; P125-L137 PolarHBondContact O-N 3.17Å
126M96.5Very high95.9Very high2 Ų240 Ų401%0.0124%0.238CC..  trans-138.1154-175.866.286.185.600112C76 L118 A120 Y133 Y134 E135C76-M126 HydrophobicContact CB-CG 4.35Å; C76-M126 HydrophobicContact CB-SD 3.75Å; C76-M126 PolarHBondContact N-O 3.13Å; L118-M126 HydrophobicContact CB-CE 3.37Å; L118-M126 HydrophobicContact CB-SD 3.68Å; L118-M126 HydrophobicContact CD1-CE 3.81Å; L118-M126 HydrophobicContact CD1-SD 3.5Å; L118-M126 WeakPolarHBondContact CD1-SD 3.45Å; L118-M126 HydrophobicContact CG-CE 4.24Å; L118-M126 HydrophobicContact CG-SD 4.11Å; A120-M126 HydrophobicContact CB-CE 3.59Å; A120-M126 HydrophobicContact CB-CG 4.19Å; M126-Y133 HydrophobicContact CE-CD1 4.32Å; M126-Y133 HydrophobicContact CE-CD2 3.74Å; M126-Y133 HydrophobicContact CE-CE1 4.38Å; M126-Y133 HydrophobicContact CE-CE2 3.79Å; M126-Y133 HydrophobicContact CE-CG 4.01Å; M126-Y134 CarbonylContact C-O 3.56Å; M126-Y134 WeakPolarHBondContact CA-O 3.21Å; M126-Y134 WeakPolarHBondContact CB-O 3.15Å; M126-E135 HydrophobicContact CB-CB 4.17Å; M126-E135 HydrophobicContact CB-CG 4.32Å
127M96.6Very high95.8Very high0 Ų033.4 Ų33.40%021%0.207CC..EExtended strand (participates in β ladder)trans-134.7147.7169.579.3-168.7163.200109.2V73 Q74 V75 I129 Y134 L137 T142 I145V73-M127 HydrophobicContact CG1-SD 4.31Å; Q74-M127 CarbonylContact O-C 3.52Å; Q74-M127 VanDerWaalsContact O-CA 3.29Å; Q74-M127 WeakPolarHBondContact O-CA 3.43Å; V75-M127 HydrophobicContact CG2-CB 4.13Å; M127-I129 HydrophobicContact CE-CD1 4.08Å; M127-I129 HydrophobicContact CG-CG1 4.44Å; M127-Y134 HydrophobicContact CE-CG 4.49Å; M127-Y134 PolarHBondContact N-O 2.91Å; M127-Y134 PolarHBondContact O-N 3.41Å; M127-L137 HydrophobicContact CB-CD1 3.85Å; M127-L137 HydrophobicContact CE-CD1 4.05Å; M127-L137 HydrophobicContact CE-CD2 4.25Å; M127-L137 HydrophobicContact CG-CD1 3.58Å; M127-L137 HydrophobicContact SD-CD1 3.88Å; M127-T142 HydrophobicContact SD-CG2 4.24Å; M127-I145 HydrophobicContact CE-CB 3.66Å; M127-I145 HydrophobicContact CE-CD1 3.71Å; M127-I145 HydrophobicContact CE-CG1 4.31Å; M127-I145 HydrophobicContact CE-CG2 3.36Å
128Q97.2Very high95.8Very high27 Ų2733.2 Ų33.213%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-104.8132.2172.1172.5179.44.100108.8Q74 L118 D130 D132 Y133Q74-Q128 HydrophobicContact CB-CB 4.22Å; Q74-Q128 PolarHBondContact N-O 3.49Å; Q74-Q128 PolarHBondContact O-N 2.98Å; L118-Q128 HydrophobicContact CD1-CB 3.76Å; Q128-D130 WeakPolarHBondContact CG-O 3.46Å; Q128-D130 PolarHBondContact NE2-O 2.92Å; Q128-D132 WeakPolarHBondContact CA-O 3.43Å; Q128-Y133 HydrophobicContact CB-CD1 3.94Å; Q128-Y133 HydrophobicContact CB-CE1 4.09Å; Q128-Y133 HydrophobicContact CG-CD1 3.9Å; Q128-Y133 HydrophobicContact CG-CE1 3.95Å
129I96.3Very high95.8Very high3 Ų335.6 Ų35.62%0.01522%0.216CC..EExtended strand (participates in β ladder)trans-117.1116.9168.6-51.4179.5000107.4H71 H72 V73 M127 D131 D132 Y134 I145 L146 V149H71-I129 HydrophobicContact CB-CG2 4.04Å; H72-I129 WeakPolarHBondContact O-CA 3.44Å; V73-I129 HydrophobicContact CG1-CG1 4.31Å; V73-I129 HydrophobicContact CG2-CD1 4.33Å; V73-I129 HydrophobicContact CG2-CG1 4.18Å; V73-I129 HydrophobicContact CG2-CG2 4.37Å; M127-I129 HydrophobicContact CE-CD1 4.08Å; M127-I129 HydrophobicContact CG-CG1 4.44Å; I129-D131 PolarHBondContact O-N 3.4Å; I129-D131 VanDerWaalsContact O-N 3.13Å; I129-D132 PolarHBondContact N-O 3.02Å; I129-D132 PolarHBondContact O-N 2.78Å; I129-Y134 HydrophobicContact CB-CD2 4.35Å; I129-Y134 HydrophobicContact CB-CE2 3.86Å; I129-Y134 HydrophobicContact CD1-CD2 4.18Å; I129-Y134 HydrophobicContact CD1-CE2 4.02Å; I129-Y134 HydrophobicContact CG1-CD2 3.99Å; I129-Y134 HydrophobicContact CG1-CE2 3.92Å; I129-I145 HydrophobicContact CD1-CG2 3.6Å; I129-L146 HydrophobicContact CD1-CD2 4.3Å; I129-V149 HydrophobicContact CD1-CG2 4.11Å; I129-V149 HydrophobicContact CG2-CG1 4.43Å
130D92.1Very high95.8Very high57 Ų5740.3 Ų40.331%0.30522%0.222SC..THydrogen-bonded Turntrans56.1-110.8-172-53-38000111.5H71 H72 Q128H71-D130 WeakPolarHBondContact CA-OD1 3.38Å; H71-D130 IonicContact CE1-OD2 3.71Å; H71-D130 IonicContact CG-OD2 3.8Å; H71-D130 IonicContact ND1-OD2 2.83Å; H71-D130 PolarHBondContact ND1-OD2 3.5Å; H72-D130 PolarHBondContact N-OD1 3.14Å; H72-D130 PolarHBondContact O-N 3.2Å; Q128-D130 WeakPolarHBondContact CG-O 3.46Å; Q128-D130 PolarHBondContact NE2-O 2.92Å
131D93.9Very high95.8Very high101 Ų10141 Ų4154%0.5422%0.224SC..THydrogen-bonded Turntrans-99-7.3177.8-70.5-41.5000112.5R29 I129R29-D131 IonicContact CZ-OD1 3.56Å; R29-D131 IonicContact CZ-OD2 2.69Å; R29-D131 IonicContact NH1-OD1 3.2Å; R29-D131 IonicContact NH1-OD2 2.81Å; R29-D131 PolarHBondContact NH1-OD2 3.33Å; R29-D131 IonicContact NH2-OD1 3.36Å; R29-D131 PolarHBondContact NH2-OD1 2.69Å; R29-D131 VanDerWaalsContact NH2-OD1 3.14Å; R29-D131 IonicContact NH2-OD2 3.68Å; R29-D131 PolarHBondContact NH2-OD2 3.06Å; I129-D131 PolarHBondContact O-N 3.4Å; I129-D131 VanDerWaalsContact O-N 3.13Å
132D96.2Very high95.7Very high47 Ų4738.2 Ų38.225%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-98.8128.5-169.7-70.3-43.4000112.1Q128 I129 Y134 A157Q128-D132 WeakPolarHBondContact CA-O 3.43Å; I129-D132 PolarHBondContact N-O 3.02Å; I129-D132 PolarHBondContact O-N 2.78Å; D132-Y134 HydrophobicContact CB-CE2 3.9Å; D132-A157 HydrophobicContact CB-CB 4.16Å
133Y97.1Very high95.8Very high80 Ų8037.1 Ų37.131%0.31419%0.191SC..EExtended strand (participates in β ladder)trans-85.8133.1174.4-76.511.2000110.8L118 A120 M126 Q128 A157 G158L118-Y133 PolarHBondContact O-OH 3.16Å; A120-Y133 HydrophobicContact CB-CD2 4.3Å; A120-Y133 HydrophobicContact CB-CE2 4.41Å; M126-Y133 HydrophobicContact CE-CD1 4.32Å; M126-Y133 HydrophobicContact CE-CD2 3.74Å; M126-Y133 HydrophobicContact CE-CE1 4.38Å; M126-Y133 HydrophobicContact CE-CE2 3.79Å; M126-Y133 HydrophobicContact CE-CG 4.01Å; Q128-Y133 HydrophobicContact CB-CD1 3.94Å; Q128-Y133 HydrophobicContact CB-CE1 4.09Å; Q128-Y133 HydrophobicContact CG-CD1 3.9Å; Q128-Y133 HydrophobicContact CG-CE1 3.95Å; Y133-A157 CarbonylContact O-C 3.53Å; Y133-A157 WeakPolarHBondContact O-CA 3.44Å; Y133-G158 PolarHBondContact O-N 3.42Å
134Y97.1Very high95.9Very high4 Ų441.5 Ų41.52%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-120.8119.7170.7-59.4-80.3000108.9M126 M127 I129 D132 I145 P155M126-Y134 CarbonylContact C-O 3.56Å; M126-Y134 WeakPolarHBondContact CA-O 3.21Å; M126-Y134 WeakPolarHBondContact CB-O 3.15Å; M127-Y134 HydrophobicContact CE-CG 4.49Å; M127-Y134 PolarHBondContact N-O 2.91Å; M127-Y134 PolarHBondContact O-N 3.41Å; I129-Y134 HydrophobicContact CB-CD2 4.35Å; I129-Y134 HydrophobicContact CB-CE2 3.86Å; I129-Y134 HydrophobicContact CD1-CD2 4.18Å; I129-Y134 HydrophobicContact CD1-CE2 4.02Å; I129-Y134 HydrophobicContact CG1-CD2 3.99Å; I129-Y134 HydrophobicContact CG1-CE2 3.92Å; D132-Y134 HydrophobicContact CB-CE2 3.9Å; Y134-I145 HydrophobicContact CD1-CD1 3.78Å; Y134-I145 HydrophobicContact CD1-CG1 4.24Å; Y134-I145 HydrophobicContact CD1-CG2 4.25Å; Y134-I145 HydrophobicContact CD2-CG2 4.24Å; Y134-I145 HydrophobicContact CE1-CG2 4.33Å; Y134-I145 HydrophobicContact CE2-CG2 4.3Å; Y134-I145 HydrophobicContact CG-CD1 3.94Å; Y134-I145 HydrophobicContact CG-CG2 4.21Å; Y134-P155 HydrophobicContact CE1-CB 3.77Å; Y134-P155 HydrophobicContact CE1-CG 3.59Å; Y134-P155 WeakPolarHBondContact OH-CD 2.83Å; Y134-P155 WeakPolarHBondContact OH-CG 3.47Å; Y134-P155 PolarHBondContact OH-O 3.45Å
135E97.1Very high95.9Very high22 Ų2241.1 Ų41.110%0.10320%0.204CC..EExtended strand (participates in β ladder)trans-127.1167.8-165-34.7174.6153.200111.3N123 M126 L137 G158 P159 Q160N123-E135 HydrophobicContact CB-CB 3.56Å; N123-E135 HydrophobicContact CB-CG 4.15Å; N123-E135 VanDerWaalsContact CB-OE2 3.24Å; N123-E135 WeakPolarHBondContact CB-OE2 3.48Å; N123-E135 PolarHBondContact ND2-OE2 3.36Å; M126-E135 HydrophobicContact CB-CB 4.17Å; M126-E135 HydrophobicContact CB-CG 4.32Å; E135-L137 PolarHBondContact O-N 2.69Å; E135-G158 PolarHBondContact N-O 3.01Å; E135-P159 CarbonylContact O-C 3.47Å; E135-P159 WeakPolarHBondContact O-CA 3.39Å; E135-Q160 WeakPolarHBondContact O-CG 3.25Å; E135-Q160 PolarHBondContact O-N 2.74Å
136D95.8Very high95.9Very high20 Ų2040.7 Ų40.711%0.10720%0.201CC..SBendtrans49.444-172-65.2-16.2000113.3N123 P125 T138 P159 S161 R163N123-D136 WeakPolarHBondContact CA-OD1 3.4Å; N123-D136 PolarHBondContact O-N 2.76Å; P125-D136 PolarHBondContact O-N 3.4Å; P125-D136 VanDerWaalsContact O-N 3.17Å; D136-T138 PolarHBondContact O-N 2.9Å; D136-P159 HydrophobicContact CB-CB 4.41Å; D136-S161 WeakPolarHBondContact OD2-CB 3.44Å; D136-S161 PolarHBondContact OD2-OG 2.89Å; D136-R163 VanDerWaalsContact CG-NH2 3.34Å; D136-R163 IonicContact OD1-CZ 3.67Å; D136-R163 IonicContact OD1-NE 3.82Å; D136-R163 IonicContact OD1-NH2 2.76Å; D136-R163 PolarHBondContact OD1-NH2 2.73Å; D136-R163 IonicContact OD2-CZ 3.63Å; D136-R163 IonicContact OD2-NE 3.75Å; D136-R163 PolarHBondContact OD2-NE 3.31Å; D136-R163 IonicContact OD2-NH2 2.7Å; D136-R163 PolarHBondContact OD2-NH2 3.28Å
137L95.3Very high95.9Very high10 Ų1043.4 Ų43.45%0.05222%0.216CC..  trans-71.3129.2-172.2-65173.7000111.6V89 P125 M127 E135 D141 I145 Q160V89-L137 HydrophobicContact CG1-CD1 4.21Å; V89-L137 HydrophobicContact CG2-CB 4.36Å; P125-L137 HydrophobicContact CG-CB 4.33Å; P125-L137 VanDerWaalsContact CG-O 3.28Å; P125-L137 WeakPolarHBondContact CG-O 3.32Å; P125-L137 PolarHBondContact O-N 3.17Å; M127-L137 HydrophobicContact CB-CD1 3.85Å; M127-L137 HydrophobicContact CE-CD1 4.05Å; M127-L137 HydrophobicContact CE-CD2 4.25Å; M127-L137 HydrophobicContact CG-CD1 3.58Å; M127-L137 HydrophobicContact SD-CD1 3.88Å; E135-L137 PolarHBondContact O-N 2.69Å; L137-D141 HydrophobicContact CD2-CB 4.22Å; L137-I145 HydrophobicContact CD2-CD1 3.5Å; L137-Q160 HydrophobicContact CD2-CG 3.9Å
138T95.2Very high95.8Very high68 Ų6845.3 Ų45.342%0.41723%0.227SC..  trans-89166.4157.171.90000110.3D136 Q140 D141 T142D136-T138 PolarHBondContact O-N 2.9Å; T138-Q140 PolarHBondContact O-N 3.36Å; T138-Q140 PolarHBondContact OG1-N 3.46Å; T138-D141 WeakPolarHBondContact CB-OD2 3.3Å; T138-D141 WeakPolarHBondContact CG2-OD2 3.45Å; T138-D141 PolarHBondContact N-OD2 3.47Å; T138-D141 PolarHBondContact O-N 2.97Å; T138-D141 VanDerWaalsContact OG1-CG 3.22Å; T138-D141 PolarHBondContact OG1-N 2.97Å; T138-D141 PolarHBondContact OG1-OD2 3.17Å; T138-T142 PolarHBondContact O-N 3.24Å; T138-T142 PolarHBondContact O-OG1 3.44Å
139L96Very high95.7Very high83 Ų8344.3 Ų44.344%0.43522%0.223SC..Hα-helixtrans-60.8-35.1174.8-50.6-173.3000111.5E88 V89 T92 V143E88-L139 HydrophobicContact CB-CD2 3.74Å; V89-L139 HydrophobicContact CG2-CD2 4.3Å; T92-L139 HydrophobicContact CG2-CB 4.32Å; L139-V143 PolarHBondContact O-N 3.48Å
140Q95.9Very high95.5Very high161 Ų16149 Ų4975%0.75224%0.243SC*.Hα-helixtrans-69.9-41.5176.4-67.7179.9-18.200111.7T138 T142 V143 R144T138-Q140 PolarHBondContact O-N 3.36Å; T138-Q140 PolarHBondContact OG1-N 3.46Å; Q140-T142 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact O-N 3.33Å; Q140-V143 PolarHBondContact O-N 3.46Å; Q140-R144 WeakPolarHBondContact O-CB 3.48Å; Q140-R144 PolarHBondContact O-N 3.31Å
141D95.1Very high95.5Very high25 Ų2551.9 Ų51.913%0.13426%0.258CS..Hα-helixtrans-63.1-38.6176.1-69.4-52.6000111.9L137 T138 R144 I145 Q160L137-D141 HydrophobicContact CD2-CB 4.22Å; T138-D141 WeakPolarHBondContact CB-OD2 3.3Å; T138-D141 WeakPolarHBondContact CG2-OD2 3.45Å; T138-D141 PolarHBondContact N-OD2 3.47Å; T138-D141 PolarHBondContact O-N 2.97Å; T138-D141 VanDerWaalsContact OG1-CG 3.22Å; T138-D141 PolarHBondContact OG1-N 2.97Å; T138-D141 PolarHBondContact OG1-OD2 3.17Å; D141-R144 PolarHBondContact O-N 2.97Å; D141-R144 IonicContact OD1-CZ 3.5Å; D141-R144 IonicContact OD1-NE 3.36Å; D141-R144 PolarHBondContact OD1-NE 3.42Å; D141-R144 IonicContact OD1-NH2 2.76Å; D141-R144 PolarHBondContact OD1-NH2 3.04Å; D141-I145 HydrophobicContact CB-CD1 4.49Å; D141-I145 WeakPolarHBondContact O-CB 3.48Å; D141-I145 WeakPolarHBondContact O-CD1 3.37Å; D141-I145 WeakPolarHBondContact O-CG1 3.12Å; D141-I145 PolarHBondContact O-N 2.81Å; D141-Q160 HydrophobicContact CB-CB 4.28Å; D141-Q160 HydrophobicContact CB-CG 4.3Å
142T95.6Very high95.4Very high0 Ų049.8 Ų49.80%026%0.261CS..Hα-helixtrans-57.3-52.1176.5-53.90000110.7V89 A93 M127 T138 Q140 I145 L146V89-T142 HydrophobicContact CG1-CG2 4.04Å; A93-T142 HydrophobicContact CB-CG2 4.23Å; M127-T142 HydrophobicContact SD-CG2 4.24Å; T138-T142 PolarHBondContact O-N 3.24Å; T138-T142 PolarHBondContact O-OG1 3.44Å; Q140-T142 VanDerWaalsContact C-N 3.29Å; Q140-T142 PolarHBondContact O-N 3.33Å; T142-I145 PolarHBondContact O-N 2.94Å; T142-L146 HydrophobicContact CG2-CD1 4.29Å; T142-L146 VanDerWaalsContact O-CG 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.22Å; T142-L146 PolarHBondContact O-N 3.2Å; T142-L146 VanDerWaalsContact O-N 3.1Å
143V96.6Very high95.2Very high43 Ų4354 Ų5426%0.26128%0.277SS..Hα-helixtrans-60.7-49.4177.2172.20000111.1T92 H96 L139 Q140 I145 L146 D147T92-V143 HydrophobicContact CG2-CG2 3.72Å; H96-V143 HydrophobicContact CB-CG2 4.47Å; L139-V143 PolarHBondContact O-N 3.48Å; Q140-V143 PolarHBondContact O-N 3.46Å; V143-I145 VanDerWaalsContact C-N 3.32Å; V143-I145 PolarHBondContact O-N 3.3Å; V143-L146 PolarHBondContact O-N 2.91Å; V143-D147 PolarHBondContact O-N 3.44Å
144R96.4Very high95Very high101 Ų10160 Ų6038%0.38130%0.299SS..Hα-helixtrans-57.2-45-179.8-179.9-178.459.974.6-2.8111.8Q140 D141 D147 V148Q140-R144 WeakPolarHBondContact O-CB 3.48Å; Q140-R144 PolarHBondContact O-N 3.31Å; D141-R144 PolarHBondContact O-N 2.97Å; D141-R144 IonicContact OD1-CZ 3.5Å; D141-R144 IonicContact OD1-NE 3.36Å; D141-R144 PolarHBondContact OD1-NE 3.42Å; D141-R144 IonicContact OD1-NH2 2.76Å; D141-R144 PolarHBondContact OD1-NH2 3.04Å; R144-D147 PolarHBondContact O-N 3.1Å; R144-V148 WeakPolarHBondContact O-CB 3.1Å; R144-V148 WeakPolarHBondContact O-CG2 3.45Å; R144-V148 PolarHBondContact O-N 2.62Å
145I96.4Very high94.7Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-64.4-46.3179.6-72.7162.1000110.3M127 I129 Y134 L137 D141 T142 V143 D147 V148 V149 P155 Q160M127-I145 HydrophobicContact CE-CB 3.66Å; M127-I145 HydrophobicContact CE-CD1 3.71Å; M127-I145 HydrophobicContact CE-CG1 4.31Å; M127-I145 HydrophobicContact CE-CG2 3.36Å; I129-I145 HydrophobicContact CD1-CG2 3.6Å; Y134-I145 HydrophobicContact CD1-CD1 3.78Å; Y134-I145 HydrophobicContact CD1-CG1 4.24Å; Y134-I145 HydrophobicContact CD1-CG2 4.25Å; Y134-I145 HydrophobicContact CD2-CG2 4.24Å; Y134-I145 HydrophobicContact CE1-CG2 4.33Å; Y134-I145 HydrophobicContact CE2-CG2 4.3Å; Y134-I145 HydrophobicContact CG-CD1 3.94Å; Y134-I145 HydrophobicContact CG-CG2 4.21Å; L137-I145 HydrophobicContact CD2-CD1 3.5Å; D141-I145 HydrophobicContact CB-CD1 4.49Å; D141-I145 WeakPolarHBondContact O-CB 3.48Å; D141-I145 WeakPolarHBondContact O-CD1 3.37Å; D141-I145 WeakPolarHBondContact O-CG1 3.12Å; D141-I145 PolarHBondContact O-N 2.81Å; T142-I145 PolarHBondContact O-N 2.94Å; V143-I145 VanDerWaalsContact C-N 3.32Å; V143-I145 PolarHBondContact O-N 3.3Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 3.47Å; I145-V148 PolarHBondContact O-N 3.24Å; I145-V149 HydrophobicContact CG2-CG2 4.39Å; I145-V149 VanDerWaalsContact O-CG2 3.31Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 3.26Å; I145-P155 HydrophobicContact CB-CG 4.31Å; I145-P155 HydrophobicContact CG1-CB 4.29Å; I145-P155 HydrophobicContact CG1-CG 4.31Å; I145-P155 HydrophobicContact CG2-CG 3.73Å; I145-Q160 HydrophobicContact CD1-CG 4.06Å
146L95.7Very high94.5Very high1 Ų166.6 Ų66.61%0.00533%0.329CS..Hα-helixtrans-60.3-40.9178.2-68.4172.5000111.9V73 A93 H96 L97 F110 I129 T142 V143 V149 K150V73-L146 HydrophobicContact CG1-CD2 4.36Å; V73-L146 HydrophobicContact CG2-CD2 3.93Å; A93-L146 HydrophobicContact CB-CD1 4.08Å; H96-L146 HydrophobicContact CB-CD1 4.49Å; L97-L146 HydrophobicContact CD1-CD1 4.34Å; L97-L146 HydrophobicContact CD1-CD2 4.31Å; L97-L146 HydrophobicContact CD2-CD1 4.41Å; L97-L146 HydrophobicContact CG-CD1 4.16Å; F110-L146 HydrophobicContact CD1-CD2 4.5Å; F110-L146 HydrophobicContact CE1-CD2 4.23Å; F110-L146 WeakPolarHBondContact CZ-O 3.38Å; I129-L146 HydrophobicContact CD1-CD2 4.3Å; T142-L146 HydrophobicContact CG2-CD1 4.29Å; T142-L146 VanDerWaalsContact O-CG 3.29Å; T142-L146 WeakPolarHBondContact O-CG 3.22Å; T142-L146 PolarHBondContact O-N 3.2Å; T142-L146 VanDerWaalsContact O-N 3.1Å; V143-L146 PolarHBondContact O-N 2.91Å; L146-V149 PolarHBondContact O-N 3.12Å; L146-K150 VanDerWaalsContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CB 3.47Å; L146-K150 PolarHBondContact O-N 3.26Å
147D96Very high94.5Very high59 Ų5967.9 Ų67.932%0.31634%0.342SS..Hα-helixtrans-66.5-44176.4-73.7-24.2000112.5H96 V143 R144 I145 V149 K150 D151H96-D147 IonicContact CD2-OD1 3.99Å; H96-D147 IonicContact CE1-OD1 3.27Å; H96-D147 PolarHBondContact CE1-OD1 3.24Å; H96-D147 VanDerWaalsContact CE1-OD1 3.27Å; H96-D147 IonicContact CE1-OD2 3.67Å; H96-D147 IonicContact NE2-OD1 2.73Å; H96-D147 PolarHBondContact NE2-OD1 3.31Å; H96-D147 IonicContact NE2-OD2 3.69Å; V143-D147 PolarHBondContact O-N 3.44Å; R144-D147 PolarHBondContact O-N 3.1Å; I145-D147 VanDerWaalsContact C-N 3.32Å; I145-D147 PolarHBondContact O-N 3.47Å; D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 3.4Å; D147-K150 WeakPolarHBondContact O-CB 3.46Å; D147-K150 PolarHBondContact O-N 3.14Å; D147-K150 VanDerWaalsContact O-N 3.14Å; D147-D151 PolarHBondContact O-N 3.49Å
148V94.8Very high94.5Very high39 Ų3968 Ų6824%0.23635%0.346CS..Hα-helixtrans-60.6-42.2176.61720000110.9R144 I145 D151 K153 P155R144-V148 WeakPolarHBondContact O-CB 3.1Å; R144-V148 WeakPolarHBondContact O-CG2 3.45Å; R144-V148 PolarHBondContact O-N 2.62Å; I145-V148 PolarHBondContact O-N 3.24Å; V148-D151 PolarHBondContact O-N 3.04Å; V148-K153 HydrophobicContact CG1-CB 3.63Å; V148-K153 WeakPolarHBondContact O-CB 3.27Å; V148-K153 PolarHBondContact O-N 2.78Å; V148-P155 HydrophobicContact CB-CB 4.46Å; V148-P155 HydrophobicContact CB-CG 4.27Å; V148-P155 HydrophobicContact CG1-CB 4Å; V148-P155 HydrophobicContact CG1-CG 3.96Å
149V94.9Very high94.5Very high7 Ų765.7 Ų65.74%0.04233%0.332CS..Hα-helixtrans-67.3-38176.1176.10000111.1H71 F110 I129 I145 L146 D147 D151 G152 K153 P155H71-V149 HydrophobicContact CB-CG1 4.15Å; H71-V149 VanDerWaalsContact CD2-CG1 3.47Å; H71-V149 WeakPolarHBondContact CD2-CG1 3.21Å; F110-V149 HydrophobicContact CE1-CB 4.04Å; F110-V149 HydrophobicContact CE1-CG1 3.54Å; F110-V149 HydrophobicContact CZ-CB 4.02Å; F110-V149 HydrophobicContact CZ-CG1 3.8Å; I129-V149 HydrophobicContact CD1-CG2 4.11Å; I129-V149 HydrophobicContact CG2-CG1 4.43Å; I145-V149 HydrophobicContact CG2-CG2 4.39Å; I145-V149 VanDerWaalsContact O-CG2 3.31Å; I145-V149 WeakPolarHBondContact O-CG2 3.49Å; I145-V149 PolarHBondContact O-N 3.26Å; L146-V149 PolarHBondContact O-N 3.12Å; D147-V149 VanDerWaalsContact C-N 3.31Å; D147-V149 PolarHBondContact O-N 3.4Å; V149-D151 VanDerWaalsContact C-N 3.26Å; V149-D151 PolarHBondContact O-N 3.01Å; V149-G152 WeakPolarHBondContact O-CA 3.45Å; V149-G152 PolarHBondContact O-N 3.27Å; V149-K153 WeakPolarHBondContact CA-O 3.5Å; V149-P155 HydrophobicContact CG2-CG 3.85Å
150K92.5Very high94.4Very high101 Ų10163.4 Ų63.444%0.43932%0.319SS..Hα-helixtrans-62.4-34.4177.5-171.1177.1-179.4178.40112.6K109 F110 L146 D147 G152K109-K150 HydrophobicContact CD-CG 4.34Å; K109-K150 PolarHBondContact NZ-O 3.13Å; F110-K150 HydrophobicContact CE2-CB 3.83Å; F110-K150 HydrophobicContact CE2-CG 4.12Å; F110-K150 HydrophobicContact CZ-CB 4Å; L146-K150 VanDerWaalsContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CB 3.47Å; L146-K150 PolarHBondContact O-N 3.26Å; D147-K150 WeakPolarHBondContact O-CB 3.46Å; D147-K150 PolarHBondContact O-N 3.14Å; D147-K150 VanDerWaalsContact O-N 3.14Å; K150-G152 PolarHBondContact O-N 3.4Å
151D92.8Very high94.2Very high117 Ų11758.2 Ų58.263%0.62630%0.301SS*.THydrogen-bonded Turntrans-75.20.4173.1-75.2-8.2000113.4D147 V148 V149 K153D147-D151 PolarHBondContact O-N 3.49Å; V148-D151 PolarHBondContact O-N 3.04Å; V149-D151 VanDerWaalsContact C-N 3.26Å; V149-D151 PolarHBondContact O-N 3.01Å; D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 PolarHBondContact O-N 3.2Å
152G91.1Very high93.9Very high57 Ų5760.4 Ų60.459%0.58833%0.329SS*.THydrogen-bonded Turntrans7713179.700000114.1V149 K150V149-G152 WeakPolarHBondContact O-CA 3.45Å; V149-G152 PolarHBondContact O-N 3.27Å; K150-G152 PolarHBondContact O-N 3.4Å
153K93.1Very high93.8Very high135 Ų13562.2 Ų62.259%0.58734%0.336SS*.  trans-92.6158.6174-64.1172.2-174.7164.70109.7V148 V149 D151V148-K153 HydrophobicContact CG1-CB 3.63Å; V148-K153 WeakPolarHBondContact O-CB 3.27Å; V148-K153 PolarHBondContact O-N 2.78Å; V149-K153 WeakPolarHBondContact CA-O 3.5Å; D151-K153 VanDerWaalsContact C-N 3.29Å; D151-K153 PolarHBondContact O-N 3.2Å
154R91.5Very high93.5Very high206 Ų20666 Ų6678%0.77735%0.354SS*.  trans-105.7111.2174.4-67.4-173.4178.3-147.8-1109.4
155P91.7Very high93.2Very high13 Ų1364.4 Ų64.48%0.08436%0.363CS..PPolyproline II helixtrans-65.8157.2173.515.1-13.2000110.7Y134 I145 V148 V149 A157Y134-P155 HydrophobicContact CE1-CB 3.77Å; Y134-P155 HydrophobicContact CE1-CG 3.59Å; Y134-P155 WeakPolarHBondContact OH-CD 2.83Å; Y134-P155 WeakPolarHBondContact OH-CG 3.47Å; Y134-P155 PolarHBondContact OH-O 3.45Å; I145-P155 HydrophobicContact CB-CG 4.31Å; I145-P155 HydrophobicContact CG1-CB 4.29Å; I145-P155 HydrophobicContact CG1-CG 4.31Å; I145-P155 HydrophobicContact CG2-CG 3.73Å; V148-P155 HydrophobicContact CB-CB 4.46Å; V148-P155 HydrophobicContact CB-CG 4.27Å; V148-P155 HydrophobicContact CG1-CB 4Å; V148-P155 HydrophobicContact CG1-CG 3.96Å; V149-P155 HydrophobicContact CG2-CG 3.85Å; P155-A157 PolarHBondContact O-N 3.09Å; P155-A157 VanDerWaalsContact O-N 3.16Å
156K93Very high93.1Very high153 Ų15367.4 Ų67.467%0.66539%0.387SS*.PPolyproline II helixtrans-61.7117178.5-176-174.3175.9-168.60110Q160K156-Q160 PolarHBondContact O-NE2 3.24Å
157A95Very high93Very high46 Ų4669.5 Ų69.538%0.3840%0.397SS..PPolyproline II helixtrans-66.7148.8173.200000111.3D132 Y133 P155D132-A157 HydrophobicContact CB-CB 4.16Å; Y133-A157 CarbonylContact O-C 3.53Å; Y133-A157 WeakPolarHBondContact O-CA 3.44Å; P155-A157 PolarHBondContact O-N 3.09Å; P155-A157 VanDerWaalsContact O-N 3.16Å
158G94.8Very high92.9Very high13 Ų1368.9 Ų68.913%0.13440%0.396CS..EExtended strand (participates in β ladder)trans106.5-162.6-177.800000114.1Y133 E135 Q160Y133-G158 PolarHBondContact O-N 3.42Å; E135-G158 PolarHBondContact N-O 3.01Å; G158-Q160 PolarHBondContact O-NE2 3.29Å
159P95.3Very high92.8Very high19 Ų1972.9 Ų72.912%0.12342%0.415CS..EExtended strand (participates in β ladder)trans-64.5135.3-178.1-19.230.1000113E135 D136 R163 A165E135-P159 CarbonylContact O-C 3.47Å; E135-P159 WeakPolarHBondContact O-CA 3.39Å; D136-P159 HydrophobicContact CB-CB 4.41Å; P159-R163 HydrophobicContact CB-CG 3.73Å; P159-R163 HydrophobicContact CG-CG 4.01Å; P159-A165 WeakPolarHBondContact CG-O 3.46Å
160Q94.7Very high92.6Very high36 Ų3678.6 Ų78.617%0.16845%0.45CS..SBendtrans-91.6-11.4176.6-55.2-55.7-65.200113.3E135 L137 D141 I145 K156 G158 G162E135-Q160 WeakPolarHBondContact O-CG 3.25Å; E135-Q160 PolarHBondContact O-N 2.74Å; L137-Q160 HydrophobicContact CD2-CG 3.9Å; D141-Q160 HydrophobicContact CB-CB 4.28Å; D141-Q160 HydrophobicContact CB-CG 4.3Å; I145-Q160 HydrophobicContact CD1-CG 4.06Å; K156-Q160 PolarHBondContact O-NE2 3.24Å; G158-Q160 PolarHBondContact O-NE2 3.29Å; Q160-G162 VanDerWaalsContact C-N 3.26Å; Q160-G162 PolarHBondContact O-N 3.07Å
161S92.3Very high92.5Very high52 Ų5275.6 Ų75.636%0.36445%0.447SS..SBendtrans-72.9-9.9-178.564.40000115.3D136D136-S161 WeakPolarHBondContact OD2-CB 3.44Å; D136-S161 PolarHBondContact OD2-OG 2.89Å
162G88.8Confident92.5Very high71 Ų7174.9 Ų74.973%0.73244%0.443SS*.SBendtrans103.1-11.3-177.500000114.9Q160Q160-G162 VanDerWaalsContact C-N 3.26Å; Q160-G162 PolarHBondContact O-N 3.07Å
163R91.7Very high92.7Very high37 Ų3776.3 Ų76.314%0.1444%0.441CS..  trans-75.2167.1169.478.2171.9160.2167.3-4.1112.4A122 N123 D136 P159 E167A122-R163 PolarHBondContact O-NH1 3.18Å; A122-R163 PolarHBondContact O-NH2 3.41Å; N123-R163 PolarHBondContact ND2-NE 3.05Å; N123-R163 PolarHBondContact ND2-NH2 3.41Å; N123-R163 VanDerWaalsContact ND2-NH2 3.14Å; D136-R163 VanDerWaalsContact CG-NH2 3.34Å; D136-R163 IonicContact OD1-CZ 3.67Å; D136-R163 IonicContact OD1-NE 3.82Å; D136-R163 IonicContact OD1-NH2 2.76Å; D136-R163 PolarHBondContact OD1-NH2 2.73Å; D136-R163 IonicContact OD2-CZ 3.63Å; D136-R163 IonicContact OD2-NE 3.75Å; D136-R163 PolarHBondContact OD2-NE 3.31Å; D136-R163 IonicContact OD2-NH2 2.7Å; D136-R163 PolarHBondContact OD2-NH2 3.28Å; P159-R163 HydrophobicContact CB-CG 3.73Å; P159-R163 HydrophobicContact CG-CG 4.01Å; R163-E167 WeakPolarHBondContact CB-OE2 3.4Å; R163-E167 WeakPolarHBondContact CD-O 3.31Å; R163-E167 PolarHBondContact NH1-O 3.06Å
164L90.3Very high92.7Very high122 Ų12274.3 Ų74.364%0.63944%0.44SS*.  trans-119.3106.5-176.5-67176.8000111.8A166 E167L164-A166 PolarHBondContact O-N 3.11Å; L164-E167 WeakPolarHBondContact CA-OE1 3.44Å; L164-E167 WeakPolarHBondContact CA-OE2 3.5Å; L164-E167 WeakPolarHBondContact CB-OE1 3.41Å; L164-E167 PolarHBondContact N-OE1 3.01Å; L164-E167 PolarHBondContact N-OE2 3.45Å; L164-E167 VanDerWaalsContact O-CD 3.3Å
165A92Very high92.8Very high69 Ų6972 Ų7257%0.5744%0.442SS*.THydrogen-bonded Turntrans65.2-119.9-172.200000110.9N123 P159N123-A165 PolarHBondContact ND2-O 3.48Å; P159-A165 WeakPolarHBondContact CG-O 3.46Å
166A94.1Very high93Very high62 Ų6279.1 Ų79.151%0.51247%0.472SS..THydrogen-bonded Turntrans-116.920.3-167.500000114.1A122 L164A122-A166 HydrophobicContact CB-CB 4.45Å; L164-A166 PolarHBondContact O-N 3.11Å
167E93.7Very high93Very high46 Ų4675.8 Ų75.822%0.21547%0.468CS..SBendtrans-71.4159.1179.487.8-78.7-147.300112.4R163 L164 I169 L172R163-E167 WeakPolarHBondContact CB-OE2 3.4Å; R163-E167 WeakPolarHBondContact CD-O 3.31Å; R163-E167 PolarHBondContact NH1-O 3.06Å; L164-E167 WeakPolarHBondContact CA-OE1 3.44Å; L164-E167 WeakPolarHBondContact CA-OE2 3.5Å; L164-E167 WeakPolarHBondContact CB-OE1 3.41Å; L164-E167 PolarHBondContact N-OE1 3.01Å; L164-E167 PolarHBondContact N-OE2 3.45Å; L164-E167 VanDerWaalsContact O-CD 3.3Å; E167-I169 PolarHBondContact O-N 3.5Å; E167-L172 HydrophobicContact CB-CD2 3.74Å; E167-L172 HydrophobicContact CG-CD2 4.14Å
168P94Very high93Very high46 Ų4682.6 Ų82.630%0.29949%0.489SS..  trans-63.3133.3175.6-18.531000110.8T170 G171 T173P168-T170 PolarHBondContact O-N 2.87Å; P168-G171 PolarHBondContact O-N 3.42Å; P168-T173 HydrophobicContact CG-CG2 4.4Å
169I90.7Very high93Very high122 Ų12287.7 Ų87.763%0.62652%0.52SS*.THydrogen-bonded Turntrans-59.1-22.9178.8-163.5168.3000113.1E167 G171E167-I169 PolarHBondContact O-N 3.5Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.42Å
170T92.1Very high92.9Very high128 Ų12895 Ų9579%0.78555%0.546SS*.THydrogen-bonded Turntrans-84.27.2177.357.90000113.8P168P168-T170 PolarHBondContact O-N 2.87Å
171G90.4Very high92.8Very high37 Ų3795.4 Ų95.438%0.38156%0.56SS.*  trans98163.1-176.100000113.7P168 I169 T173P168-G171 PolarHBondContact O-N 3.42Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.42Å; G171-T173 PolarHBondContact O-N 3.04Å
172L93.2Very high92.8Very high102 Ų10299.5 Ų99.553%0.53459%0.585SS.*  trans-60.1121.6-175.6-66.6175.7000111.7E167 K176E167-L172 HydrophobicContact CB-CD2 3.74Å; E167-L172 HydrophobicContact CG-CD2 4.14Å; L172-K176 WeakPolarHBondContact O-CE 3.45Å
173T93.8Very high92.9Very high88 Ų8898.8 Ų98.854%0.5458%0.577SS.*SBendtrans-97.5-26.6172.155.90000112P168 G171P168-T173 HydrophobicContact CG-CG2 4.4Å; G171-T173 PolarHBondContact O-N 3.04Å
174T94.6Very high92.9Very high93 Ų93103.5 Ų103.557%0.57160%0.599SS**SBendtrans-121.7169.8179.656.80000111.3K176T174-K176 PolarHBondContact O-N 3.49Å
175L93.7Very high93Very high158 Ų158101.2 Ų101.283%0.82761%0.605SS**  trans54.136.4177.8-59.2175.2000113.9S177L175-S177 VanDerWaalsContact C-N 3.34Å
176K94.1Very high93Very high161 Ų161102.1 Ų102.170%0.760%0.603SS**  trans-74.8-23.9178.3-63.9-179.8175.6179.40113.2L172 T174L172-K176 WeakPolarHBondContact O-CE 3.45Å; T174-K176 PolarHBondContact O-N 3.49Å
177S94.3Very high92.9Very high84 Ų84107 Ų10759%0.58761%0.608SS**SBendtrans-83.2156.7178.257.70000111.1L175L175-S177 VanDerWaalsContact C-N 3.34Å
178K93.7Very high92.5Very high189 Ų189109.1 Ų109.182%0.82264%0.643SS**PPolyproline II helixtrans-58.8148.3166.9-67.5-176.5179.9-179.30109.9
179P95Very high92.3Very high120 Ų120112.4 Ų112.478%0.77966%0.658SS**PPolyproline II helixtrans-59.1147.717426.2-34.7000110.3G181P179-G181 PolarHBondContact O-N 3.11Å; P179-G181 VanDerWaalsContact O-N 3.11Å
180Y93.5Very high91.4Very high172 Ų172115.2 Ų115.268%0.67567%0.673SS**  trans-62.9-20.9-172.9-58.9-69.9000114.8F184Y180-F184 VanDerWaalsContact CB-CD1 3.42Å; Y180-F184 AromaticContact CD1-CD1 3.9Å; Y180-F184 HydrophobicContact CD1-CD1 3.9Å; Y180-F184 HydrophobicContact CD1-CD2 4.19Å; Y180-F184 AromaticContact CD1-CE1 3.62Å; Y180-F184 HydrophobicContact CD1-CE1 3.62Å; Y180-F184 AromaticContact CD1-CE2 3.94Å; Y180-F184 HydrophobicContact CD1-CE2 3.94Å; Y180-F184 HydrophobicContact CD1-CG 4.18Å; Y180-F184 AromaticContact CD1-CZ 3.64Å; Y180-F184 HydrophobicContact CD1-CZ 3.64Å; Y180-F184 AromaticContact CD2-CD1 3.71Å; Y180-F184 HydrophobicContact CD2-CD1 3.71Å; Y180-F184 AromaticContact CD2-CE1 3.69Å; Y180-F184 HydrophobicContact CD2-CE1 3.69Å; Y180-F184 AromaticContact CE1-CE1 3.9Å; Y180-F184 HydrophobicContact CE1-CE1 3.9Å; Y180-F184 HydrophobicContact CE1-CE2 4.44Å; Y180-F184 AromaticContact CE1-CZ 3.81Å; Y180-F184 HydrophobicContact CE1-CZ 3.81Å; Y180-F184 HydrophobicContact CE2-CD1 4.43Å; Y180-F184 AromaticContact CE2-CE1 3.97Å; Y180-F184 HydrophobicContact CE2-CE1 3.97Å; Y180-F184 HydrophobicContact CG-CB 4.49Å; Y180-F184 AromaticContact CG-CD1 3.4Å; Y180-F184 HydrophobicContact CG-CD1 3.4Å; Y180-F184 VanDerWaalsContact CG-CD1 3.4Å; Y180-F184 HydrophobicContact CG-CD2 4.31Å; Y180-F184 AromaticContact CG-CE1 3.51Å; Y180-F184 HydrophobicContact CG-CE1 3.51Å; Y180-F184 HydrophobicContact CG-CE2 4.4Å; Y180-F184 AromaticContact CG-CG 3.83Å; Y180-F184 HydrophobicContact CG-CG 3.83Å; Y180-F184 HydrophobicContact CG-CZ 4.03Å
181G92.6Very high91.4Very high44 Ų44114.6 Ų114.645%0.45467%0.668SS.*  trans83.2172.5-178.100000113.6P179P179-G181 PolarHBondContact O-N 3.11Å; P179-G181 VanDerWaalsContact O-N 3.11Å
182P93.1Very high91.4Very high139 Ų139118.7 Ų118.790%0.90368%0.683SS**THydrogen-bonded Turntrans-65.8144.4179.329.1-34.7000110.9F184P182-F184 VanDerWaalsContact C-N 3.33Å; P182-F184 PolarHBondContact O-N 3.46Å
183G90.3Very high91.3Very high55 Ų55119.6 Ų119.657%0.56769%0.691SS**THydrogen-bonded Turntrans89.8-15.9178.300000115G185 V186G183-G185 PolarHBondContact O-N 3.23Å; G183-V186 PolarHBondContact O-N 3.48Å
184F92.1Very high91.2Very high137 Ų137121.5 Ų121.560%0.60170%0.7SS**THydrogen-bonded Turntrans-66.9119.9175.3-175.4-99.8000111Y180 P182 V186Y180-F184 VanDerWaalsContact CB-CD1 3.42Å; Y180-F184 AromaticContact CD1-CD1 3.9Å; Y180-F184 HydrophobicContact CD1-CD1 3.9Å; Y180-F184 HydrophobicContact CD1-CD2 4.19Å; Y180-F184 AromaticContact CD1-CE1 3.62Å; Y180-F184 HydrophobicContact CD1-CE1 3.62Å; Y180-F184 AromaticContact CD1-CE2 3.94Å; Y180-F184 HydrophobicContact CD1-CE2 3.94Å; Y180-F184 HydrophobicContact CD1-CG 4.18Å; Y180-F184 AromaticContact CD1-CZ 3.64Å; Y180-F184 HydrophobicContact CD1-CZ 3.64Å; Y180-F184 AromaticContact CD2-CD1 3.71Å; Y180-F184 HydrophobicContact CD2-CD1 3.71Å; Y180-F184 AromaticContact CD2-CE1 3.69Å; Y180-F184 HydrophobicContact CD2-CE1 3.69Å; Y180-F184 AromaticContact CE1-CE1 3.9Å; Y180-F184 HydrophobicContact CE1-CE1 3.9Å; Y180-F184 HydrophobicContact CE1-CE2 4.44Å; Y180-F184 AromaticContact CE1-CZ 3.81Å; Y180-F184 HydrophobicContact CE1-CZ 3.81Å; Y180-F184 HydrophobicContact CE2-CD1 4.43Å; Y180-F184 AromaticContact CE2-CE1 3.97Å; Y180-F184 HydrophobicContact CE2-CE1 3.97Å; Y180-F184 HydrophobicContact CG-CB 4.49Å; Y180-F184 AromaticContact CG-CD1 3.4Å; Y180-F184 HydrophobicContact CG-CD1 3.4Å; Y180-F184 VanDerWaalsContact CG-CD1 3.4Å; Y180-F184 HydrophobicContact CG-CD2 4.31Å; Y180-F184 AromaticContact CG-CE1 3.51Å; Y180-F184 HydrophobicContact CG-CE1 3.51Å; Y180-F184 HydrophobicContact CG-CE2 4.4Å; Y180-F184 AromaticContact CG-CG 3.83Å; Y180-F184 HydrophobicContact CG-CG 3.83Å; Y180-F184 HydrophobicContact CG-CZ 4.03Å; P182-F184 VanDerWaalsContact C-N 3.33Å; P182-F184 PolarHBondContact O-N 3.46Å; F184-V186 VanDerWaalsContact C-N 3.31Å
185G91.5Very high91Very high73 Ų73123.3 Ų123.375%0.75371%0.708SS**THydrogen-bonded Turntrans80.25.4-178.300000115.1G183 R187G183-G185 PolarHBondContact O-N 3.23Å; G185-R187 PolarHBondContact O-N 3.24Å
186V93Very high90.8Very high89 Ų89120.9 Ų120.954%0.53970%0.7SS.*  trans-69.3129.1171.7179.10000108.6G183 F184 L190G183-V186 PolarHBondContact O-N 3.48Å; F184-V186 VanDerWaalsContact C-N 3.31Å; V186-L190 HydrophobicContact CG1-CB 4.33Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å
187R91Very high90.6Very high163 Ų163118.1 Ų118.162%0.61570%0.7SS**  trans-68.4147.2177.7-57.5-172.4-47.1-156.7-2109.9G185 D189G185-R187 PolarHBondContact O-N 3.24Å; R187-D189 WeakPolarHBondContact CB-OD1 2.95Å; R187-D189 IonicContact CZ-OD1 3.63Å; R187-D189 IonicContact CZ-OD2 2.79Å; R187-D189 IonicContact NE-OD1 3.72Å; R187-D189 PolarHBondContact NE-OD1 3.15Å; R187-D189 IonicContact NE-OD2 2.87Å; R187-D189 IonicContact NH2-OD1 3.45Å; R187-D189 IonicContact NH2-OD2 3.6Å; R187-D189 PolarHBondContact NH2-OD2 3.14Å; R187-D189 VanDerWaalsContact NH2-OD2 3.14Å; R187-D189 PolarHBondContact O-N 2.98Å; R187-D189 VanDerWaalsContact O-N 3.15Å
188G85.8Confident90.3Very high92 Ų92120.7 Ų120.795%0.94871%0.709SS**THydrogen-bonded Turntrans-72.50.2-177.600000115.7
189D89.6Confident90Very high114 Ų114115 Ų11561%0.6170%0.7SS**THydrogen-bonded Turntrans-96.411179.467.4-44.9000113.9R187R187-D189 WeakPolarHBondContact CB-OD1 2.95Å; R187-D189 IonicContact CZ-OD1 3.63Å; R187-D189 IonicContact CZ-OD2 2.79Å; R187-D189 IonicContact NE-OD1 3.72Å; R187-D189 PolarHBondContact NE-OD1 3.15Å; R187-D189 IonicContact NE-OD2 2.87Å; R187-D189 IonicContact NH2-OD1 3.45Å; R187-D189 IonicContact NH2-OD2 3.6Å; R187-D189 PolarHBondContact NH2-OD2 3.14Å; R187-D189 VanDerWaalsContact NH2-OD2 3.14Å; R187-D189 PolarHBondContact O-N 2.98Å; R187-D189 VanDerWaalsContact O-N 3.15Å
190L72.4Confident89.5Confident182 Ų182114.5 Ų114.595%0.95369%0.692SS**  trans-106.80-179.6-75.3167.1000113.1V186V186-L190 HydrophobicContact CG1-CB 4.33Å; V186-L190 HydrophobicContact CG1-CD1 3.88Å

Retrieved 190 of 190 residues in 134.7 ms (Link to these results)

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