A0A077YWH6_TRITR Loading...

PALP domain containing protein

AlphaFold DB , UniProt , Accession A0A077YWH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 311 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
1M37.1Very low81Confident232 Ų23275.9 Ų75.9100%1.14341%0.41SS*.  0141.90-82.4174.1173.100107.7T3M1-T3 PolarHBondContact O-N 2.81Å
2S49.8Very low82.4Confident106 Ų10674.6 Ų74.674%0.74140%0.403SS*.  trans-59.7100-179.6175.50000110.1L4S2-L4 PolarHBondContact O-N 3.45Å
3T57.9Low83.3Confident67 Ų6769.5 Ų69.541%0.41138%0.378SS..  trans-7711176.347.80000112.7M1M1-T3 PolarHBondContact O-N 2.81Å
4L82Confident84.2Confident63 Ų6367.6 Ų67.633%0.3336%0.363SS..SBendtrans-106.8124.6-173.2-58.6178.7000109.7S2 S6 I228S2-L4 PolarHBondContact O-N 3.45Å; L4-S6 PolarHBondContact O-N 2.96Å; L4-I228 HydrophobicContact CD2-CB 4.34Å; L4-I228 HydrophobicContact CD2-CG1 3.63Å
5V90.9Very high85Confident5 Ų571.1 Ų71.13%0.0338%0.376CS..  trans-59.5122.7164.6175.60000108.7D9 M10 L132 I135 A136 S170 I228V5-D9 HydrophobicContact CG1-CB 4Å; V5-M10 HydrophobicContact CG1-CE 4.35Å; V5-M10 HydrophobicContact CG1-CG 4.07Å; V5-L132 HydrophobicContact CG2-CB 4.4Å; V5-L132 HydrophobicContact CG2-CD2 3.83Å; V5-I135 HydrophobicContact CB-CG2 4.04Å; V5-I135 HydrophobicContact CG1-CG2 4.39Å; V5-I135 HydrophobicContact CG2-CB 3.8Å; V5-I135 HydrophobicContact CG2-CG2 3.5Å; V5-A136 HydrophobicContact CG1-CB 3.84Å; V5-S170 PolarHBondContact O-OG 3Å; V5-I228 HydrophobicContact CG2-CD1 4.19Å
6S92.6Very high85.6Confident49 Ų4977 Ų7734%0.34339%0.391SS..  trans-86.4166.9-177.6760000111.8L4 Q8 D9 M10L4-S6 PolarHBondContact O-N 2.96Å; S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 PolarHBondContact OG-N 3.47Å; S6-D9 WeakPolarHBondContact CA-OD2 3.41Å; S6-D9 VanDerWaalsContact CB-OD2 3.27Å; S6-D9 WeakPolarHBondContact CB-OD2 3.42Å; S6-D9 PolarHBondContact N-OD2 2.75Å; S6-D9 PolarHBondContact O-N 3.11Å; S6-D9 PolarHBondContact OG-N 2.77Å; S6-D9 VanDerWaalsContact OG-N 3.14Å; S6-D9 PolarHBondContact OG-OD2 2.72Å; S6-M10 WeakPolarHBondContact O-CE 3.48Å
7K94.7Very high85.9Confident106 Ų10677.2 Ų77.246%0.46139%0.393SS..Hα-helixtrans-55.8-41169.3-175.1-176.5171.4-1720111.4M10 V11 W171 A174 V175K7-M10 PolarHBondContact O-N 3.37Å; K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 3.01Å; K7-V11 VanDerWaalsContact O-N 3.1Å; K7-W171 HydrophobicContact CG-CE3 4.23Å; K7-W171 HydrophobicContact CG-CH2 4.47Å; K7-W171 HydrophobicContact CG-CZ3 3.81Å; K7-A174 HydrophobicContact CB-CB 3.97Å; K7-A174 HydrophobicContact CD-CB 4.34Å; K7-A174 HydrophobicContact CG-CB 4.33Å; K7-V175 HydrophobicContact CD-CG1 4.08Å
8Q96.3Very high86.3Confident107 Ų10780.2 Ų80.250%0.541%0.405SS..Hα-helixtrans-66.9-41.6-176.8-167.861.244.800111.3S6 M10 V11 D12S6-Q8 PolarHBondContact O-N 3.26Å; S6-Q8 PolarHBondContact OG-N 3.47Å; Q8-M10 PolarHBondContact O-N 3.06Å; Q8-M10 VanDerWaalsContact O-N 3.16Å; Q8-V11 WeakPolarHBondContact O-CA 3.24Å; Q8-V11 WeakPolarHBondContact O-CB 3.31Å; Q8-V11 PolarHBondContact O-N 2.86Å; Q8-D12 PolarHBondContact NE2-OD1 2.94Å; Q8-D12 VanDerWaalsContact O-CG 3.25Å; Q8-D12 PolarHBondContact O-N 3.44Å
9D96.2Very high86.6Confident71 Ų7184.7 Ų84.738%0.3843%0.43SS..Hα-helixtrans-56.8-36.7177.6-57.7-48.5000112V5 S6 A13 A136V5-D9 HydrophobicContact CG1-CB 4Å; S6-D9 WeakPolarHBondContact CA-OD2 3.41Å; S6-D9 VanDerWaalsContact CB-OD2 3.27Å; S6-D9 WeakPolarHBondContact CB-OD2 3.42Å; S6-D9 PolarHBondContact N-OD2 2.75Å; S6-D9 PolarHBondContact O-N 3.11Å; S6-D9 PolarHBondContact OG-N 2.77Å; S6-D9 VanDerWaalsContact OG-N 3.14Å; S6-D9 PolarHBondContact OG-OD2 2.72Å; D9-A13 VanDerWaalsContact O-CB 3.23Å; D9-A13 WeakPolarHBondContact O-CB 3.33Å; D9-A13 PolarHBondContact O-N 3.34Å; D9-A136 HydrophobicContact CB-CB 4.11Å
10M96.4Very high86.7Confident0 Ų083.5 Ų83.50%043%0.429CS..Hα-helixtrans-76.1-33.9176.5-69.4174.8-7900113.1V5 S6 K7 Q8 Y14 A136 W171V5-M10 HydrophobicContact CG1-CE 4.35Å; V5-M10 HydrophobicContact CG1-CG 4.07Å; S6-M10 WeakPolarHBondContact O-CE 3.48Å; K7-M10 PolarHBondContact O-N 3.37Å; Q8-M10 PolarHBondContact O-N 3.06Å; Q8-M10 VanDerWaalsContact O-N 3.16Å; M10-Y14 WeakPolarHBondContact O-CB 3.2Å; M10-Y14 PolarHBondContact O-N 3.49Å; M10-A136 HydrophobicContact CG-CB 4.24Å; M10-A136 WeakPolarHBondContact CG-O 3.35Å; M10-W171 HydrophobicContact CB-CE3 3.97Å; M10-W171 HydrophobicContact CB-CZ3 4.29Å; M10-W171 HydrophobicContact CE-CB 4.07Å; M10-W171 HydrophobicContact CE-CE3 4.11Å; M10-W171 HydrophobicContact SD-CB 3.68Å; M10-W171 HydrophobicContact SD-CE3 4.16Å
11V97.3Very high87Confident29 Ų2981.5 Ų81.518%0.17642%0.419CS..Hα-helixtrans-64-50.1171.8172.20000109.4K7 Q8 A13 Y14 E15 W171K7-V11 WeakPolarHBondContact O-CG2 3.42Å; K7-V11 PolarHBondContact O-N 3.01Å; K7-V11 VanDerWaalsContact O-N 3.1Å; Q8-V11 WeakPolarHBondContact O-CA 3.24Å; Q8-V11 WeakPolarHBondContact O-CB 3.31Å; Q8-V11 PolarHBondContact O-N 2.86Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.4Å; V11-Y14 WeakPolarHBondContact O-CB 3.49Å; V11-Y14 PolarHBondContact O-N 3.33Å; V11-E15 HydrophobicContact CG1-CG 4.33Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.46Å; V11-E15 WeakPolarHBondContact O-CG 3.49Å; V11-E15 PolarHBondContact O-N 3.38Å; V11-W171 HydrophobicContact CG2-CH2 4.18Å; V11-W171 HydrophobicContact CG2-CZ3 3.92Å
12D97.4Very high89.7Confident60 Ų6073.4 Ų73.432%0.32138%0.379SS..Hα-helixtrans-60.6-40.5178.4-63.5-7.9000111.3Q8 R16Q8-D12 PolarHBondContact NE2-OD1 2.94Å; Q8-D12 VanDerWaalsContact O-CG 3.25Å; Q8-D12 PolarHBondContact O-N 3.44Å; D12-R16 WeakPolarHBondContact O-CB 3.1Å; D12-R16 PolarHBondContact O-N 2.93Å
13A95Very high91.9Very high9 Ų973.5 Ų73.57%0.07436%0.363CS..Hα-helixtrans-63.9-39.9174.900000112.1D9 V11 I17 A136 T140D9-A13 VanDerWaalsContact O-CB 3.23Å; D9-A13 WeakPolarHBondContact O-CB 3.33Å; D9-A13 PolarHBondContact O-N 3.34Å; V11-A13 VanDerWaalsContact C-N 3.3Å; V11-A13 PolarHBondContact O-N 3.4Å; A13-I17 WeakPolarHBondContact O-CG1 3.48Å; A13-A136 HydrophobicContact CB-CB 4.21Å; A13-T140 HydrophobicContact CB-CG2 4.42Å
14Y95.8Very high93.8Very high43 Ų4370.4 Ų70.417%0.16934%0.344CS..Hα-helixtrans-65.9-49.8177.4-167.8-94.2000111.5M10 V11 R16 I17 E18 I21 T140 L143 E144M10-Y14 WeakPolarHBondContact O-CB 3.2Å; M10-Y14 PolarHBondContact O-N 3.49Å; V11-Y14 WeakPolarHBondContact O-CB 3.49Å; V11-Y14 PolarHBondContact O-N 3.33Å; Y14-R16 PolarHBondContact O-N 2.91Å; Y14-I17 PolarHBondContact O-N 2.93Å; Y14-E18 PolarHBondContact O-N 3.43Å; Y14-I21 HydrophobicContact CD1-CD1 3.93Å; Y14-I21 HydrophobicContact CD2-CD1 3.69Å; Y14-I21 HydrophobicContact CE1-CD1 3.65Å; Y14-I21 HydrophobicContact CE2-CD1 3.41Å; Y14-I21 VanDerWaalsContact CE2-CD1 3.41Å; Y14-I21 HydrophobicContact CG-CD1 3.95Å; Y14-T140 HydrophobicContact CD2-CG2 4.08Å; Y14-L143 HydrophobicContact CD1-CD1 4.41Å; Y14-L143 HydrophobicContact CD2-CD1 3.99Å; Y14-L143 HydrophobicContact CD2-CD2 4.36Å; Y14-L143 HydrophobicContact CE2-CD1 4.45Å; Y14-L143 HydrophobicContact CE2-CD2 3.99Å; Y14-L143 HydrophobicContact CG-CD1 3.96Å; Y14-E144 HydrophobicContact CE2-CG 4.02Å
15E96.3Very high94.6Very high119 Ų11969.6 Ų69.656%0.55634%0.342SS*.Hα-helixtrans-62.2-41.3179.3-70.1177.1-179.300111.6V11 I17 E18V11-E15 HydrophobicContact CG1-CG 4.33Å; V11-E15 WeakPolarHBondContact CG1-OE1 3.46Å; V11-E15 WeakPolarHBondContact O-CG 3.49Å; V11-E15 PolarHBondContact O-N 3.38Å; E15-I17 PolarHBondContact O-N 3.5Å; E15-I17 VanDerWaalsContact O-N 3.11Å; E15-E18 WeakPolarHBondContact O-CB 3.33Å; E15-E18 PolarHBondContact O-N 3.22Å
16R94.1Very high95Very high166 Ų16671.1 Ų71.163%0.62635%0.352SS*.Hα-helixtrans-57.8-28.6178.5-172.9-175.3-53.5154.26113.5D12 Y14 D133D12-R16 WeakPolarHBondContact O-CB 3.1Å; D12-R16 PolarHBondContact O-N 2.93Å; Y14-R16 PolarHBondContact O-N 2.91Å; R16-D133 IonicContact NH1-OD1 3.9Å
17I90.6Very high95.3Very high81 Ų8172.2 Ų72.242%0.41535%0.35SS..THydrogen-bonded Turntrans-112.210.1-176.770.7172.9000113.3A13 Y14 E15 D19 S20 I21A13-I17 WeakPolarHBondContact O-CG1 3.48Å; Y14-I17 PolarHBondContact O-N 2.93Å; E15-I17 PolarHBondContact O-N 3.5Å; E15-I17 VanDerWaalsContact O-N 3.11Å; I17-D19 VanDerWaalsContact C-N 3.3Å; I17-D19 PolarHBondContact O-N 3.36Å; I17-D19 VanDerWaalsContact O-N 3.16Å; I17-S20 CarbonylContact O-C 3.15Å; I17-S20 WeakPolarHBondContact O-CA 3.5Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3.18Å; I17-I21 HydrophobicContact CD1-CG1 4.24Å; I17-I21 HydrophobicContact CG1-CD1 4.16Å; I17-I21 HydrophobicContact CG1-CG1 3.84Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 2.86Å
18E93Very high95.4Very high131 Ų13171.2 Ų71.261%0.61235%0.353SS*.G310 helixtrans-46.8-49.6-170.6-174.3174.2-161.600112.7Y14 E15 S20 I21Y14-E18 PolarHBondContact O-N 3.43Å; E15-E18 WeakPolarHBondContact O-CB 3.33Å; E15-E18 PolarHBondContact O-N 3.22Å; E18-S20 PolarHBondContact O-N 2.83Å; E18-I21 PolarHBondContact O-N 3.44Å; E18-I21 VanDerWaalsContact O-N 3.16Å
19D91.4Very high95.5Very high166 Ų16666.7 Ų66.789%0.88833%0.333SS*.G310 helixtrans-64.8-13.2179.5-68-31.8000114.7I17I17-D19 VanDerWaalsContact C-N 3.3Å; I17-D19 PolarHBondContact O-N 3.36Å; I17-D19 VanDerWaalsContact O-N 3.16Å
20S89.9Confident95.6Very high59 Ų5969.9 Ų69.941%0.41335%0.346SS..G310 helixtrans-110.9-3.3-179.5-79.90000114.2I17 E18 H22 K72I17-S20 CarbonylContact O-C 3.15Å; I17-S20 WeakPolarHBondContact O-CA 3.5Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3.18Å; E18-S20 PolarHBondContact O-N 2.83Å; S20-H22 PolarHBondContact O-N 2.82Å; S20-K72 PolarHBondContact OG-NZ 3.02Å; S20-K72 VanDerWaalsContact OG-NZ 3.07Å
21I92.9Very high95.7Very high43 Ų4373 Ų7322%0.22136%0.362CS..  trans-66.1127.3-178.4-63.7-177.3000110.3Y14 I17 E18 R23 E144Y14-I21 HydrophobicContact CD1-CD1 3.93Å; Y14-I21 HydrophobicContact CD2-CD1 3.69Å; Y14-I21 HydrophobicContact CE1-CD1 3.65Å; Y14-I21 HydrophobicContact CE2-CD1 3.41Å; Y14-I21 VanDerWaalsContact CE2-CD1 3.41Å; Y14-I21 HydrophobicContact CG-CD1 3.95Å; I17-I21 HydrophobicContact CD1-CG1 4.24Å; I17-I21 HydrophobicContact CG1-CD1 4.16Å; I17-I21 HydrophobicContact CG1-CG1 3.84Å; I17-I21 WeakPolarHBondContact O-CG1 3.48Å; I17-I21 PolarHBondContact O-N 2.86Å; E18-I21 PolarHBondContact O-N 3.44Å; E18-I21 VanDerWaalsContact O-N 3.16Å; I21-R23 HydrophobicContact CG2-CG 3.8Å; I21-E144 WeakPolarHBondContact CG2-OE1 3.07Å
22H94Very high95.7Very high61 Ų6171.6 Ų71.628%0.28235%0.354SS..  trans-110.399.4165.7-177.157.8000108.8S20 T24 Q48 K49S20-H22 PolarHBondContact O-N 2.82Å; H22-T24 PolarHBondContact O-N 2.94Å; H22-Q48 PolarHBondContact O-NE2 3.28Å; H22-K49 HydrophobicContact CB-CD 4.42Å; H22-K49 HydrophobicContact CB-CG 4.17Å; H22-K49 VanDerWaalsContact CG-CE 3.49Å; H22-K49 PolarHBondContact ND1-NZ 2.9Å
23R95.9Very high95.8Very high109 Ų10970.4 Ų70.441%0.41135%0.348SS..  trans-69.5111.6177.8-62.5-171.875.4-177.95.7109.8I21 D147I21-R23 HydrophobicContact CG2-CG 3.8Å; R23-D147 IonicContact CZ-OD2 3.82Å; R23-D147 IonicContact NH1-OD2 3.11Å; R23-D147 IonicContact NH2-OD2 2.78Å; R23-D147 PolarHBondContact NH2-OD2 2.99Å
24T97.5Very high95.9Very high1 Ų176.5 Ų76.51%0.00638%0.376CS..  trans-74152.8174.665.90000111.1H22 K43 A44 E45 Q48 Q148H22-T24 PolarHBondContact O-N 2.94Å; T24-K43 PolarHBondContact O-NZ 2.78Å; T24-K43 WeakPolarHBondContact OG1-CE 3.49Å; T24-K43 PolarHBondContact OG1-NZ 3.08Å; T24-A44 WeakPolarHBondContact CB-O 3.41Å; T24-A44 WeakPolarHBondContact CG2-O 3.18Å; T24-E45 PolarHBondContact OG1-OE1 2.93Å; T24-Q48 HydrophobicContact CG2-CG 4.02Å; T24-Q148 PolarHBondContact O-NE2 2.86Å
25P98.2Very high96Very high47 Ų4778.8 Ų78.831%0.30539%0.391SS..  trans-70.2162176.729.4-34.8000112.1F27 A44 M47P25-F27 HydrophobicContact CB-CE1 4.38Å; P25-F27 HydrophobicContact CB-CE2 4.2Å; P25-F27 HydrophobicContact CB-CZ 3.99Å; P25-F27 HydrophobicContact CG-CD2 4.4Å; P25-F27 HydrophobicContact CG-CE1 4.37Å; P25-F27 HydrophobicContact CG-CE2 3.54Å; P25-F27 HydrophobicContact CG-CZ 3.52Å; P25-A44 HydrophobicContact CG-CB 4.08Å; P25-A44 WeakPolarHBondContact O-CB 3.38Å; P25-A44 PolarHBondContact O-N 2.57Å; P25-M47 HydrophobicContact CG-SD 3.9Å
26V98.8Very high96.1Very high37 Ų3773.1 Ų73.122%0.22437%0.365CS..EExtended strand (participates in β ladder)trans-107.4126.1162.7176.90000108.3F41 F42 K43 F145 Q148 V149V26-F41 HydrophobicContact CG1-CB 3.99Å; V26-F41 HydrophobicContact CG1-CD1 4.35Å; V26-F42 VanDerWaalsContact CA-O 3.31Å; V26-F42 WeakPolarHBondContact CA-O 3.34Å; V26-K43 HydrophobicContact CG2-CD 3.88Å; V26-F145 HydrophobicContact CG1-CE2 4.01Å; V26-F145 HydrophobicContact CG2-CD2 3.87Å; V26-F145 HydrophobicContact CG2-CE2 3.95Å; V26-Q148 HydrophobicContact CG2-CB 3.88Å; V26-Q148 HydrophobicContact CG2-CG 4.48Å; V26-V149 HydrophobicContact CB-CG2 4.26Å; V26-V149 HydrophobicContact CG1-CG2 3.69Å; V26-V149 HydrophobicContact CG2-CG2 4.2Å
27F98.6Very high96.3Very high71 Ų7167.9 Ų67.931%0.31136%0.362SS..EExtended strand (participates in β ladder)trans-102.5159.3174.5-63.3-68000111.6P25 F42 A44 M47 M256 L258P25-F27 HydrophobicContact CB-CE1 4.38Å; P25-F27 HydrophobicContact CB-CE2 4.2Å; P25-F27 HydrophobicContact CB-CZ 3.99Å; P25-F27 HydrophobicContact CG-CD2 4.4Å; P25-F27 HydrophobicContact CG-CE1 4.37Å; P25-F27 HydrophobicContact CG-CE2 3.54Å; P25-F27 HydrophobicContact CG-CZ 3.52Å; F27-F42 HydrophobicContact CB-CB 4.44Å; F27-F42 PolarHBondContact N-O 3.01Å; F27-F42 PolarHBondContact O-N 3.08Å; F27-A44 HydrophobicContact CD2-CB 3.77Å; F27-A44 HydrophobicContact CE2-CB 3.67Å; F27-M47 HydrophobicContact CE2-SD 3.71Å; F27-M47 HydrophobicContact CZ-SD 4.07Å; F27-M256 HydrophobicContact CB-CE 3.8Å; F27-L258 HydrophobicContact CD2-CD1 3.62Å; F27-L258 HydrophobicContact CE2-CD1 3.91Å; F27-L258 HydrophobicContact CE2-CD2 4.03Å; F27-L258 HydrophobicContact CG-CD1 4.45Å
28T98.4Very high96.6Very high85 Ų8565.6 Ų65.652%0.52135%0.348SS..  trans-126.1164.2164.561.10000108.1F41T28-F41 HydrophobicContact CG2-CD1 3.68Å; T28-F41 HydrophobicContact CG2-CE1 3.75Å
29S98.4Very high96.9Very high13 Ų1361.7 Ų61.79%0.09133%0.33CS..  trans-142.8120.7172.9174.70000109.3D31 L32 N33S29-D31 VanDerWaalsContact C-N 3.32Å; S29-D31 PolarHBondContact O-N 3.39Å; S29-L32 PolarHBondContact O-N 3.05Å; S29-L32 PolarHBondContact OG-N 3.35Å; S29-N33 WeakPolarHBondContact O-CB 3.5Å; S29-N33 PolarHBondContact O-N 3.35Å; S29-N33 PolarHBondContact O-OD1 2.86Å
30H97.9Very high97.2Very high138 Ų13853.8 Ų53.864%0.63929%0.288SS*.Hα-helixtrans-58.3-46.2178.2-179.180.1000111.3L32 N33 M34H30-L32 PolarHBondContact O-N 3.35Å; H30-N33 WeakPolarHBondContact O-CB 3.41Å; H30-N33 PolarHBondContact O-N 2.88Å; H30-M34 WeakPolarHBondContact O-CG 3.47Å; H30-M34 PolarHBondContact O-N 2.92Å
31D97.8Very high97.7Very high64 Ų6452 Ų5234%0.34227%0.273SS..Hα-helixtrans-59.6-46.8178.2-69.53.8000111.6S29 N33 M34 L35 R255S29-D31 VanDerWaalsContact C-N 3.32Å; S29-D31 PolarHBondContact O-N 3.39Å; D31-N33 VanDerWaalsContact C-N 3.34Å; D31-N33 PolarHBondContact O-N 2.8Å; D31-M34 PolarHBondContact O-N 3.4Å; D31-L35 WeakPolarHBondContact O-CB 3.3Å; D31-L35 VanDerWaalsContact O-CG 3.31Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 2.97Å; D31-R255 HydrophobicContact CB-CG 4.48Å; D31-R255 WeakPolarHBondContact OD2-CD 3.23Å; D31-R255 IonicContact OD2-CZ 2.77Å; D31-R255 IonicContact OD2-NE 3.67Å; D31-R255 IonicContact OD2-NH1 2.75Å; D31-R255 PolarHBondContact OD2-NH1 2.76Å
32L98.5Very high98Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-70.1-32.4179.8-57.5-176.2000112.3S29 H30 L35 A36 L40 F42 L251 R255 M256 L268 M272S29-L32 PolarHBondContact O-N 3.05Å; S29-L32 PolarHBondContact OG-N 3.35Å; H30-L32 PolarHBondContact O-N 3.35Å; L32-L35 HydrophobicContact CD2-CD1 4.27Å; L32-L35 PolarHBondContact O-N 3.48Å; L32-A36 WeakPolarHBondContact O-CB 3.25Å; L32-A36 PolarHBondContact O-N 3.04Å; L32-L40 HydrophobicContact CB-CD1 4.14Å; L32-F42 HydrophobicContact CB-CZ 4.35Å; L32-F42 HydrophobicContact CD1-CE1 4.38Å; L32-F42 HydrophobicContact CD1-CE2 4.09Å; L32-F42 HydrophobicContact CD1-CZ 3.63Å; L32-L251 HydrophobicContact CD2-CB 3.87Å; L32-L251 HydrophobicContact CD2-CD1 4.29Å; L32-L251 HydrophobicContact CD2-CD2 4.24Å; L32-L251 HydrophobicContact CD2-CG 4.37Å; L32-R255 HydrophobicContact CD2-CB 4.36Å; L32-R255 HydrophobicContact CD2-CG 4.37Å; L32-M256 HydrophobicContact CD1-CG 3.75Å; L32-M256 HydrophobicContact CD1-SD 3.53Å; L32-M256 VanDerWaalsContact CD1-SD 3.53Å; L32-L268 HydrophobicContact CD1-CD1 4.3Å; L32-L268 HydrophobicContact CD1-CD2 3.98Å; L32-L268 HydrophobicContact CD2-CD2 4.46Å; L32-M272 HydrophobicContact CB-CE 4.25Å; L32-M272 HydrophobicContact CD2-CE 4.29Å; L32-M272 WeakPolarHBondContact O-CE 3.42Å
33N98.5Very high98.2Very high36 Ų3647.1 Ų47.119%0.19325%0.249CC..Hα-helixtrans-63.3-45.3173.4-71-1000111.1S29 H30 D31 A36 G37 R38 L40S29-N33 WeakPolarHBondContact O-CB 3.5Å; S29-N33 PolarHBondContact O-N 3.35Å; S29-N33 PolarHBondContact O-OD1 2.86Å; H30-N33 WeakPolarHBondContact O-CB 3.41Å; H30-N33 PolarHBondContact O-N 2.88Å; D31-N33 VanDerWaalsContact C-N 3.34Å; D31-N33 PolarHBondContact O-N 2.8Å; N33-A36 PolarHBondContact O-N 3.13Å; N33-G37 WeakPolarHBondContact O-CA 3.38Å; N33-G37 PolarHBondContact O-N 3.23Å; N33-R38 CarbonylContact C-O 3.52Å; N33-R38 WeakPolarHBondContact CA-O 3.12Å; N33-R38 WeakPolarHBondContact CB-O 3.22Å; N33-R38 PolarHBondContact O-N 3.26Å; N33-L40 WeakPolarHBondContact OD1-CB 3.23Å; N33-L40 PolarHBondContact OD1-N 2.82Å
34M98Very high98.3Very high137 Ų13741.9 Ų41.968%0.67523%0.229SC*.Hα-helixtrans-61.3-45.8175.8-75.7-65.7-62.500111.5H30 D31 A36 G37H30-M34 WeakPolarHBondContact O-CG 3.47Å; H30-M34 PolarHBondContact O-N 2.92Å; D31-M34 PolarHBondContact O-N 3.4Å; M34-A36 PolarHBondContact O-N 3.04Å; M34-G37 PolarHBondContact O-N 2.77Å
35L97.9Very high98.2Very high90 Ų9041.9 Ų41.947%0.47123%0.229SC..Hα-helixtrans-64.8-38.1179.1-72.7173.7000112.8D31 L32 L251 M272 F277D31-L35 WeakPolarHBondContact O-CB 3.3Å; D31-L35 VanDerWaalsContact O-CG 3.31Å; D31-L35 WeakPolarHBondContact O-CG 3.37Å; D31-L35 PolarHBondContact O-N 2.97Å; L32-L35 HydrophobicContact CD2-CD1 4.27Å; L32-L35 PolarHBondContact O-N 3.48Å; L35-L251 HydrophobicContact CD1-CD1 4.4Å; L35-L251 HydrophobicContact CD1-CD2 3.9Å; L35-M272 HydrophobicContact CB-CE 3.78Å; L35-M272 HydrophobicContact CB-SD 3.92Å; L35-F277 VanDerWaalsContact O-CZ 3.3Å; L35-F277 WeakPolarHBondContact O-CZ 3.07Å
36A97.8Very high98Very high1 Ų140.3 Ų40.31%0.00822%0.218CC..Hα-helixtrans-84.6-13.4179.300000113.8L32 N33 M34 R38 L40 M272L32-A36 WeakPolarHBondContact O-CB 3.25Å; L32-A36 PolarHBondContact O-N 3.04Å; N33-A36 PolarHBondContact O-N 3.13Å; M34-A36 PolarHBondContact O-N 3.04Å; A36-R38 HydrophobicContact CB-CB 4.43Å; A36-R38 WeakPolarHBondContact O-CG 3.29Å; A36-R38 PolarHBondContact O-N 3.32Å; A36-L40 HydrophobicContact CB-CD1 3.8Å; A36-L40 HydrophobicContact CB-CD2 4.23Å; A36-L40 HydrophobicContact CB-CG 4.19Å; A36-M272 HydrophobicContact CB-CE 3.83Å; A36-M272 HydrophobicContact CB-SD 4.06Å
37G97.5Very high97.9Very high56 Ų5642.6 Ų42.658%0.57723%0.227SC*.THydrogen-bonded Turntrans63.423.5-170.700000113.7N33 M34N33-G37 WeakPolarHBondContact O-CA 3.38Å; N33-G37 PolarHBondContact O-N 3.23Å; M34-G37 PolarHBondContact O-N 2.77Å
38R98.2Very high97.7Very high33 Ų3340.9 Ų40.913%0.12522%0.22CC..SBendtrans-142.9166.5-173.3-59.7-65.7177.2169.5-1.4110.7N33 A36 L40 L279 P280 I283 I286N33-R38 CarbonylContact C-O 3.52Å; N33-R38 WeakPolarHBondContact CA-O 3.12Å; N33-R38 WeakPolarHBondContact CB-O 3.22Å; N33-R38 PolarHBondContact O-N 3.26Å; A36-R38 HydrophobicContact CB-CB 4.43Å; A36-R38 WeakPolarHBondContact O-CG 3.29Å; A36-R38 PolarHBondContact O-N 3.32Å; R38-L40 HydrophobicContact CB-CD2 4.14Å; R38-L279 PolarHBondContact NH2-O 3.16Å; R38-P280 PolarHBondContact NH1-O 2.72Å; R38-I283 WeakPolarHBondContact CD-O 3.32Å; R38-I283 PolarHBondContact NH1-O 2.99Å; R38-I286 HydrophobicContact CB-CD1 4.13Å; R38-I286 HydrophobicContact CG-CD1 3.93Å
39E98.6Very high97.4Very high49 Ų4941.9 Ų41.923%0.22922%0.217CC..EExtended strand (participates in β ladder)trans-92.5107.5170.9-71.8172.4-13400109.5F41 R284 R285 I286E39-F41 HydrophobicContact CB-CE2 3.89Å; E39-F41 HydrophobicContact CB-CZ 4.37Å; E39-R284 PolarHBondContact N-O 3.02Å; E39-R284 IonicContact OE1-CZ 2.81Å; E39-R284 IonicContact OE1-NE 3.05Å; E39-R284 PolarHBondContact OE1-NE 3.26Å; E39-R284 IonicContact OE1-NH2 3.64Å; E39-R284 PolarHBondContact OE1-NH2 3.25Å; E39-R284 VanDerWaalsContact OE1-NH2 3.11Å; E39-R285 HydrophobicContact CB-CG 4.14Å; E39-R285 CarbonylContact O-C 3.52Å; E39-R285 WeakPolarHBondContact O-CA 3.46Å; E39-R285 IonicContact OE2-CZ 3.67Å; E39-R285 IonicContact OE2-NH1 2.76Å; E39-R285 PolarHBondContact OE2-NH1 2.76Å; E39-I286 PolarHBondContact O-N 2.86Å
40L98.8Very high97Very high0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-96.7132.4-177.8-53.3-176.2000111.3L32 N33 A36 R38 F42 L268 A271 M272 I286 I288L32-L40 HydrophobicContact CB-CD1 4.14Å; N33-L40 WeakPolarHBondContact OD1-CB 3.23Å; N33-L40 PolarHBondContact OD1-N 2.82Å; A36-L40 HydrophobicContact CB-CD1 3.8Å; A36-L40 HydrophobicContact CB-CD2 4.23Å; A36-L40 HydrophobicContact CB-CG 4.19Å; R38-L40 HydrophobicContact CB-CD2 4.14Å; L40-F42 HydrophobicContact CB-CD2 4.4Å; L40-F42 HydrophobicContact CB-CE2 3.53Å; L40-F42 HydrophobicContact CB-CZ 3.63Å; L40-F42 HydrophobicContact CD1-CE2 4.36Å; L40-F42 HydrophobicContact CD1-CZ 3.72Å; L40-F42 HydrophobicContact CG-CZ 4.35Å; L40-L268 HydrophobicContact CD1-CD1 3.82Å; L40-A271 HydrophobicContact CD1-CB 4.38Å; L40-A271 HydrophobicContact CD2-CB 4.1Å; L40-M272 HydrophobicContact CD1-CE 4.31Å; L40-I286 WeakPolarHBondContact CA-O 3.29Å; L40-I286 HydrophobicContact CD2-CB 4.01Å; L40-I288 HydrophobicContact CD1-CD1 4.3Å; L40-I288 HydrophobicContact CD2-CD1 4.23Å
41F98.9Very high96.5Very high22 Ų2235.8 Ų35.810%0.09619%0.193CC..EExtended strand (participates in β ladder)trans-118.8127175.3-61.4-90.2000108.8V26 T28 E39 F145 V149 L152 R285 I286 G287 I288V26-F41 HydrophobicContact CG1-CB 3.99Å; V26-F41 HydrophobicContact CG1-CD1 4.35Å; T28-F41 HydrophobicContact CG2-CD1 3.68Å; T28-F41 HydrophobicContact CG2-CE1 3.75Å; E39-F41 HydrophobicContact CB-CE2 3.89Å; E39-F41 HydrophobicContact CB-CZ 4.37Å; F41-F145 HydrophobicContact CB-CE2 3.97Å; F41-F145 HydrophobicContact CB-CZ 4.08Å; F41-F145 WeakPolarHBondContact O-CZ 3.48Å; F41-V149 HydrophobicContact CB-CG1 4.49Å; F41-V149 HydrophobicContact CB-CG2 4.22Å; F41-V149 HydrophobicContact CD1-CB 4.38Å; F41-V149 HydrophobicContact CD1-CG1 3.62Å; F41-V149 HydrophobicContact CD1-CG2 3.76Å; F41-V149 HydrophobicContact CD2-CG1 4.13Å; F41-V149 HydrophobicContact CE1-CG1 3.84Å; F41-V149 HydrophobicContact CE2-CG1 4.33Å; F41-V149 HydrophobicContact CG-CG1 3.79Å; F41-V149 HydrophobicContact CG-CG2 4.16Å; F41-V149 HydrophobicContact CZ-CG1 4.22Å; F41-L152 HydrophobicContact CB-CD2 4.32Å; F41-L152 HydrophobicContact CD2-CD2 3.66Å; F41-L152 HydrophobicContact CE2-CD2 4.36Å; F41-L152 HydrophobicContact CG-CD2 4.15Å; F41-R285 HydrophobicContact CE2-CB 4Å; F41-R285 HydrophobicContact CE2-CG 4.2Å; F41-R285 VanDerWaalsContact CZ-CZ 3.44Å; F41-R285 VanDerWaalsContact CZ-NH1 3.33Å; F41-I286 PolarHBondContact N-O 2.95Å; F41-G287 CarbonylContact O-C 3.56Å; F41-G287 WeakPolarHBondContact O-CA 3.33Å; F41-I288 PolarHBondContact O-N 2.75Å
42F98.7Very high95.9Very high0 Ų032.9 Ų32.90%018%0.177CC..EExtended strand (participates in β ladder)trans-114.3104-172.7-60.2-89.6000110.4V26 F27 L32 L40 A44 M256 L268 I288 L290V26-F42 VanDerWaalsContact CA-O 3.31Å; V26-F42 WeakPolarHBondContact CA-O 3.34Å; F27-F42 HydrophobicContact CB-CB 4.44Å; F27-F42 PolarHBondContact N-O 3.01Å; F27-F42 PolarHBondContact O-N 3.08Å; L32-F42 HydrophobicContact CB-CZ 4.35Å; L32-F42 HydrophobicContact CD1-CE1 4.38Å; L32-F42 HydrophobicContact CD1-CE2 4.09Å; L32-F42 HydrophobicContact CD1-CZ 3.63Å; L40-F42 HydrophobicContact CB-CD2 4.4Å; L40-F42 HydrophobicContact CB-CE2 3.53Å; L40-F42 HydrophobicContact CB-CZ 3.63Å; L40-F42 HydrophobicContact CD1-CE2 4.36Å; L40-F42 HydrophobicContact CD1-CZ 3.72Å; L40-F42 HydrophobicContact CG-CZ 4.35Å; F42-A44 PolarHBondContact O-N 2.89Å; F42-M256 HydrophobicContact CB-CE 3.71Å; F42-M256 HydrophobicContact CD1-CE 4.12Å; F42-M256 HydrophobicContact CD1-SD 4.19Å; F42-M256 HydrophobicContact CD2-CE 3.44Å; F42-M256 VanDerWaalsContact CD2-CE 3.44Å; F42-M256 HydrophobicContact CD2-SD 4.06Å; F42-M256 HydrophobicContact CE1-SD 4.19Å; F42-M256 HydrophobicContact CE2-CE 4.03Å; F42-M256 HydrophobicContact CE2-SD 4.07Å; F42-M256 HydrophobicContact CG-CE 3.49Å; F42-M256 VanDerWaalsContact CG-CE 3.49Å; F42-M256 HydrophobicContact CG-SD 4.11Å; F42-M256 HydrophobicContact CZ-SD 4.13Å; F42-L268 HydrophobicContact CE1-CB 4.42Å; F42-L268 HydrophobicContact CE1-CD1 4.07Å; F42-L268 HydrophobicContact CZ-CD1 4.06Å; F42-I288 CarbonylContact C-O 3.57Å; F42-I288 WeakPolarHBondContact CA-O 3.36Å; F42-I288 HydrophobicContact CD1-CB 3.92Å; F42-I288 HydrophobicContact CD1-CD1 4.24Å; F42-I288 HydrophobicContact CD1-CG2 3.96Å; F42-I288 HydrophobicContact CE1-CB 4.21Å; F42-I288 HydrophobicContact CE1-CD1 3.64Å; F42-I288 HydrophobicContact CE1-CG2 4.25Å; F42-I288 HydrophobicContact CZ-CD1 4.21Å; F42-L290 HydrophobicContact CB-CD1 4.04Å; F42-L290 HydrophobicContact CB-CG 4.21Å; F42-L290 HydrophobicContact CD1-CD1 4.44Å; F42-L290 HydrophobicContact CD1-CD2 4.02Å; F42-L290 HydrophobicContact CD1-CG 4.3Å
43K98.6Very high94.9Very high0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-74.5108172.9-177.457.8168.7156.30108.9T24 V26 E45 V141 E144 F145 I288 I289 L290T24-K43 PolarHBondContact O-NZ 2.78Å; T24-K43 WeakPolarHBondContact OG1-CE 3.49Å; T24-K43 PolarHBondContact OG1-NZ 3.08Å; V26-K43 HydrophobicContact CG2-CD 3.88Å; K43-E45 VanDerWaalsContact C-N 3.25Å; K43-E45 WeakPolarHBondContact CE-OE1 3.33Å; K43-E45 HydrophobicContact CG-CG 4.23Å; K43-E45 IonicContact NZ-OE1 2.82Å; K43-E45 PolarHBondContact O-N 2.89Å; K43-V141 HydrophobicContact CG-CG2 3.85Å; K43-E144 IonicContact NZ-OE2 3.52Å; K43-E144 PolarHBondContact NZ-OE2 3.48Å; K43-F145 HydrophobicContact CB-CD1 3.76Å; K43-F145 HydrophobicContact CB-CD2 4.04Å; K43-F145 HydrophobicContact CB-CE1 3.72Å; K43-F145 HydrophobicContact CB-CE2 4Å; K43-F145 HydrophobicContact CB-CG 3.92Å; K43-F145 HydrophobicContact CB-CZ 3.83Å; K43-F145 HydrophobicContact CD-CB 4.45Å; K43-F145 HydrophobicContact CD-CG 4.47Å; K43-F145 HydrophobicContact CG-CB 4.35Å; K43-F145 HydrophobicContact CG-CD1 4.26Å; K43-F145 HydrophobicContact CG-CG 4.16Å; K43-I288 PolarHBondContact N-O 3.33Å; K43-I289 HydrophobicContact CB-CG1 4.49Å; K43-L290 PolarHBondContact O-N 3.01Å
44A97.9Very high93.2Very high0 Ų033.2 Ų33.20%018%0.177CC..  trans-82.757.2-164.600000113.5T24 P25 F27 F42 N46 M47T24-A44 WeakPolarHBondContact CB-O 3.41Å; T24-A44 WeakPolarHBondContact CG2-O 3.18Å; P25-A44 HydrophobicContact CG-CB 4.08Å; P25-A44 WeakPolarHBondContact O-CB 3.38Å; P25-A44 PolarHBondContact O-N 2.57Å; F27-A44 HydrophobicContact CD2-CB 3.77Å; F27-A44 HydrophobicContact CE2-CB 3.67Å; F42-A44 PolarHBondContact O-N 2.89Å; A44-N46 VanDerWaalsContact C-OD1 3.28Å; A44-N46 WeakPolarHBondContact CA-OD1 3.39Å; A44-N46 PolarHBondContact O-N 2.94Å; A44-N46 VanDerWaalsContact O-N 3.14Å; A44-N46 PolarHBondContact O-OD1 2.94Å; A44-M47 HydrophobicContact CB-CG 4.18Å; A44-M47 HydrophobicContact CB-SD 4.02Å; A44-M47 WeakPolarHBondContact O-CB 2.98Å; A44-M47 PolarHBondContact O-N 3.27Å
45E96.6Very high90.7Very high0 Ų028.6 Ų28.60%016%0.155CC..G310 helixtrans-64.6-13.1179.7-76.9-38.1121.200114.7T24 K43 M47 Q48 S52 F53 V141 I289 L290T24-E45 PolarHBondContact OG1-OE1 2.93Å; K43-E45 VanDerWaalsContact C-N 3.25Å; K43-E45 WeakPolarHBondContact CE-OE1 3.33Å; K43-E45 HydrophobicContact CG-CG 4.23Å; K43-E45 IonicContact NZ-OE1 2.82Å; K43-E45 PolarHBondContact O-N 2.89Å; E45-M47 PolarHBondContact O-N 2.84Å; E45-Q48 WeakPolarHBondContact O-CB 3.33Å; E45-Q48 PolarHBondContact O-N 3.44Å; E45-Q48 WeakPolarHBondContact OE2-CG 3.37Å; E45-Q48 PolarHBondContact OE2-NE2 2.94Å; E45-S52 CarbonylContact O-C 3.6Å; E45-S52 VanDerWaalsContact O-CA 3.27Å; E45-S52 WeakPolarHBondContact O-CA 3.31Å; E45-F53 HydrophobicContact CB-CB 3.51Å; E45-F53 HydrophobicContact CB-CG 4.41Å; E45-F53 HydrophobicContact CG-CB 3.56Å; E45-F53 HydrophobicContact CG-CD2 4.24Å; E45-F53 HydrophobicContact CG-CG 3.92Å; E45-F53 PolarHBondContact O-N 2.9Å; E45-F53 WeakPolarHBondContact OE2-CB 3.47Å; E45-F53 WeakPolarHBondContact OE2-CD2 3.43Å; E45-V141 HydrophobicContact CG-CG2 3.65Å; E45-I289 HydrophobicContact CB-CG2 4.29Å; E45-I289 HydrophobicContact CG-CG2 3.97Å; E45-L290 CarbonylContact C-O 3.54Å; E45-L290 VanDerWaalsContact C-O 3.28Å; E45-L290 WeakPolarHBondContact CA-O 3.39Å; E45-L290 WeakPolarHBondContact CB-O 3.23Å; E45-L290 PolarHBondContact N-O 3.36Å
46N94.3Very high88.2Confident15 Ų1524.7 Ų24.78%0.0814%0.135CC..G310 helixtrans-66.4-14.816863.1-57.8000112.3A44 G51 V259 V260 L290 G292A44-N46 VanDerWaalsContact C-OD1 3.28Å; A44-N46 WeakPolarHBondContact CA-OD1 3.39Å; A44-N46 PolarHBondContact O-N 2.94Å; A44-N46 VanDerWaalsContact O-N 3.14Å; A44-N46 PolarHBondContact O-OD1 2.94Å; N46-G51 WeakPolarHBondContact CA-O 3.42Å; N46-G51 CarbonylContact O-C 3.51Å; N46-G51 WeakPolarHBondContact O-CA 3.01Å; N46-V259 PolarHBondContact ND2-O 3.17Å; N46-V260 HydrophobicContact CB-CG1 4.43Å; N46-L290 PolarHBondContact N-O 3.01Å; N46-L290 WeakPolarHBondContact OD1-CB 3.46Å; N46-G292 VanDerWaalsContact CB-C 3.49Å
47M95.9Very high85.8Confident84 Ų8429.2 Ų29.241%0.41416%0.155SC..G310 helixtrans-96.310.5175.1-56.1-175.270.300113.2P25 F27 A44 E45 L258P25-M47 HydrophobicContact CG-SD 3.9Å; F27-M47 HydrophobicContact CE2-SD 3.71Å; F27-M47 HydrophobicContact CZ-SD 4.07Å; A44-M47 HydrophobicContact CB-CG 4.18Å; A44-M47 HydrophobicContact CB-SD 4.02Å; A44-M47 WeakPolarHBondContact O-CB 2.98Å; A44-M47 PolarHBondContact O-N 3.27Å; E45-M47 PolarHBondContact O-N 2.84Å; M47-L258 HydrophobicContact SD-CD2 4.36Å
48Q94.3Very high83.5Confident36 Ų3628.6 Ų28.617%0.16814%0.143CC..SBendtrans-58.5164.6169.5-90.8-61.4-19.400112.2H22 T24 E45 T50 G51 S52 F53H22-Q48 PolarHBondContact O-NE2 3.28Å; T24-Q48 HydrophobicContact CG2-CG 4.02Å; E45-Q48 WeakPolarHBondContact O-CB 3.33Å; E45-Q48 PolarHBondContact O-N 3.44Å; E45-Q48 WeakPolarHBondContact OE2-CG 3.37Å; E45-Q48 PolarHBondContact OE2-NE2 2.94Å; Q48-T50 PolarHBondContact O-N 2.78Å; Q48-G51 PolarHBondContact O-N 3.18Å; Q48-S52 VanDerWaalsContact CB-O 3.27Å; Q48-S52 WeakPolarHBondContact CB-O 3.33Å; Q48-F53 HydrophobicContact CG-CB 4.28Å; Q48-F53 HydrophobicContact CG-CD2 4.36Å
49K91.7Very high81.4Confident105 Ų10527.1 Ų27.146%0.45714%0.137SC..THydrogen-bonded Turntrans-55.7-27.3-177.9-61.4-60.6-172.5-1670114H22 Y68H22-K49 HydrophobicContact CB-CD 4.42Å; H22-K49 HydrophobicContact CB-CG 4.17Å; H22-K49 VanDerWaalsContact CG-CE 3.49Å; H22-K49 PolarHBondContact ND1-NZ 2.9Å; K49-Y68 HydrophobicContact CB-CD1 4.5Å; K49-Y68 HydrophobicContact CB-CE1 3.85Å; K49-Y68 HydrophobicContact CB-CE2 4.16Å; K49-Y68 HydrophobicContact CG-CE1 4.17Å; K49-Y68 WeakPolarHBondContact CG-OH 3.33Å
50T89.9Confident80.3Confident7 Ų725.6 Ų25.64%0.04313%0.134CC..THydrogen-bonded Turntrans-108.218.9177.858.30000113Q48 S52 Y68 Y96 N294Q48-T50 PolarHBondContact O-N 2.78Å; T50-S52 PolarHBondContact O-N 3.43Å; T50-S52 PolarHBondContact OG1-O 3.21Å; T50-Y68 VanDerWaalsContact CG2-CB 3.48Å; T50-Y68 HydrophobicContact CG2-CD1 4.24Å; T50-Y68 HydrophobicContact CG2-CD2 4.28Å; T50-Y68 HydrophobicContact CG2-CG 3.76Å; T50-Y96 HydrophobicContact CG2-CD2 4.3Å; T50-Y96 HydrophobicContact CG2-CE1 4.27Å; T50-Y96 HydrophobicContact CG2-CE2 3.83Å; T50-N294 PolarHBondContact O-ND2 2.94Å; T50-N294 PolarHBondContact O-OD1 3.03Å
51G88.6Confident79.7Confident17 Ų1725.6 Ų25.618%0.17513%0.134CC..SBendtrans70.67.6-177.900000114.5N46 Q48 G292 G293N46-G51 WeakPolarHBondContact CA-O 3.42Å; N46-G51 CarbonylContact O-C 3.51Å; N46-G51 WeakPolarHBondContact O-CA 3.01Å; Q48-G51 PolarHBondContact O-N 3.18Å; G51-G292 CarbonylContact O-C 3.38Å; G51-G293 PolarHBondContact O-N 3.46Å
52S84.7Confident79.1Confident2 Ų225.3 Ų25.31%0.01413%0.134CC..BIsolated β-bridgetrans-163.7152.6178.863.20000112E45 Q48 T50 N61 S291 N294E45-S52 CarbonylContact O-C 3.6Å; E45-S52 VanDerWaalsContact O-CA 3.27Å; E45-S52 WeakPolarHBondContact O-CA 3.31Å; Q48-S52 VanDerWaalsContact CB-O 3.27Å; Q48-S52 WeakPolarHBondContact CB-O 3.33Å; T50-S52 PolarHBondContact O-N 3.43Å; T50-S52 PolarHBondContact OG1-O 3.21Å; S52-N61 VanDerWaalsContact OG-CB 3.26Å; S52-N61 WeakPolarHBondContact OG-CB 3.37Å; S52-N61 VanDerWaalsContact OG-CG 3.28Å; S52-S291 WeakPolarHBondContact CA-O 3.29Å; S52-S291 WeakPolarHBondContact CB-O 3.47Å; S52-N294 PolarHBondContact OG-ND2 3.36Å
53F77.1Confident78.6Confident34 Ų3426.5 Ų26.515%0.14914%0.143CC..  trans-87.7-14.4166.3-171.8-99.2000112E45 Q48 I55 Q138 V141 L164 S291E45-F53 HydrophobicContact CB-CB 3.51Å; E45-F53 HydrophobicContact CB-CG 4.41Å; E45-F53 HydrophobicContact CG-CB 3.56Å; E45-F53 HydrophobicContact CG-CD2 4.24Å; E45-F53 HydrophobicContact CG-CG 3.92Å; E45-F53 PolarHBondContact O-N 2.9Å; E45-F53 WeakPolarHBondContact OE2-CB 3.47Å; E45-F53 WeakPolarHBondContact OE2-CD2 3.43Å; Q48-F53 HydrophobicContact CG-CB 4.28Å; Q48-F53 HydrophobicContact CG-CD2 4.36Å; F53-I55 PolarHBondContact O-N 3.48Å; F53-Q138 HydrophobicContact CE1-CB 4.29Å; F53-Q138 HydrophobicContact CE1-CG 4.48Å; F53-Q138 WeakPolarHBondContact CE1-O 3.21Å; F53-Q138 PolarHBondContact O-NE2 3.15Å; F53-V141 HydrophobicContact CD1-CB 4.29Å; F53-V141 HydrophobicContact CE1-CB 3.7Å; F53-V141 HydrophobicContact CE1-CG1 3.98Å; F53-V141 HydrophobicContact CE1-CG2 4.5Å; F53-V141 HydrophobicContact CE2-CB 4.14Å; F53-V141 HydrophobicContact CZ-CB 3.64Å; F53-V141 HydrophobicContact CZ-CG1 4.34Å; F53-L164 HydrophobicContact CD1-CD1 4.34Å; F53-L164 HydrophobicContact CE1-CD1 4.23Å; F53-S291 PolarHBondContact N-O 3.42Å
54K62.8Low78.1Confident9 Ų926.8 Ų26.84%0.03915%0.145CC..  trans-70.2128.7-166.8-106.1174.3-178.1168.50114T56 N61 H62 E261 S263 S291K54-T56 HydrophobicContact CB-CG2 4.49Å; K54-T56 HydrophobicContact CD-CG2 4.32Å; K54-N61 HydrophobicContact CB-CB 3.86Å; K54-N61 CarbonylContact O-C 3.57Å; K54-N61 WeakPolarHBondContact O-CB 3.39Å; K54-H62 PolarHBondContact O-N 3.32Å; K54-H62 VanDerWaalsContact O-N 3.07Å; K54-E261 IonicContact NZ-OE1 3.73Å; K54-S263 PolarHBondContact NZ-O 3.25Å; K54-S263 VanDerWaalsContact NZ-O 3.11Å; K54-S291 WeakPolarHBondContact CD-OG 3.43Å; K54-S291 VanDerWaalsContact CE-CB 3.45Å; K54-S291 WeakPolarHBondContact CE-OG 3.49Å; K54-S291 PolarHBondContact NZ-OG 2.95Å
55I46.5Very low77.8Confident40 Ų4027.9 Ų27.921%0.20515%0.153CC..  trans-99.2102.5158.1-64.9171.1000105.1F53 H62 S128 V134 Q138F53-I55 PolarHBondContact O-N 3.48Å; I55-H62 HydrophobicContact CB-CB 4.44Å; I55-H62 WeakPolarHBondContact CB-ND1 3.47Å; I55-H62 HydrophobicContact CG2-CB 4.26Å; I55-H62 WeakPolarHBondContact CG2-CE1 3.46Å; I55-H62 WeakPolarHBondContact CG2-ND1 3.14Å; I55-S128 CarbonylContact C-O 3.54Å; I55-S128 WeakPolarHBondContact CG2-O 3.32Å; I55-V134 HydrophobicContact CB-CG1 4.27Å; I55-V134 HydrophobicContact CD1-CG1 4.04Å; I55-V134 HydrophobicContact CG2-CG1 3.53Å; I55-Q138 HydrophobicContact CD1-CG 4.39Å; I55-Q138 VanDerWaalsContact CG1-NE2 3.27Å
56T44.9Very low77.5Confident8 Ų829.8 Ų29.85%0.04916%0.163CC..  trans-148.9151.7168-176.50000112.1K54 S58 S59 H62 G215K54-T56 HydrophobicContact CB-CG2 4.49Å; K54-T56 HydrophobicContact CD-CG2 4.32Å; T56-S58 VanDerWaalsContact C-N 3.32Å; T56-S58 PolarHBondContact O-N 3.04Å; T56-S59 WeakPolarHBondContact CG2-OG 3.37Å; T56-H62 VanDerWaalsContact O-CB 3.29Å; T56-H62 WeakPolarHBondContact O-CB 3.38Å; T56-G215 PolarHBondContact OG1-O 3.43Å; T56-G215 VanDerWaalsContact OG1-O 3.08Å
57H47Very low77.4Confident96 Ų9629 Ų2944%0.44416%0.16SC..SBendtrans-63.3-25.4-175.6-101.1-60.2000115.4H127 S128H57-H127 AromaticContact NE2-CD2 3.9Å; H57-H127 AromaticContact NE2-NE2 3.71Å; H57-S128 PolarHBondContact CD2-OG 2.87Å; H57-S128 PolarHBondContact N-OG 2.92Å
58S50.4Low77.2Confident44 Ų4427.9 Ų27.931%0.30815%0.151SC..SBendtrans-105.7-30.2-15850.30000115.6T56 D214 G215T56-S58 VanDerWaalsContact C-N 3.32Å; T56-S58 PolarHBondContact O-N 3.04Å; S58-D214 WeakPolarHBondContact CB-O 3.23Å; S58-D214 VanDerWaalsContact OG-C 3.31Å; S58-D214 PolarHBondContact OG-O 2.95Å; S58-G215 VanDerWaalsContact OG-CA 3.24Å; S58-G215 WeakPolarHBondContact OG-CA 3.24Å
59S54.4Low77.1Confident1 Ų128.4 Ų28.41%0.00716%0.161CC..SBendtrans-95.3-4.1-177.462.90000113.8T56 N61 K89 D214T56-S59 WeakPolarHBondContact CG2-OG 3.37Å; S59-N61 PolarHBondContact O-N 3.45Å; S59-N61 WeakPolarHBondContact OG-CB 3.48Å; S59-N61 PolarHBondContact OG-ND2 3.49Å; S59-K89 WeakPolarHBondContact O-CD 3.24Å; S59-K89 VanDerWaalsContact O-CE 3.23Å; S59-K89 WeakPolarHBondContact O-CE 3.21Å; S59-K89 PolarHBondContact O-NZ 3.02Å; S59-D214 WeakPolarHBondContact CA-OD2 3.27Å; S59-D214 WeakPolarHBondContact CB-OD2 3.47Å
60G74.4Confident77.2Confident17 Ų1724.2 Ų24.218%0.17515%0.145CC..SBendtrans74.8-2.1-173.100000113.7H62 A63 Q64G60-H62 PolarHBondContact O-N 3.3Å; G60-A63 WeakPolarHBondContact O-CB 3.36Å; G60-A63 PolarHBondContact O-N 3Å; G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-N 3.11Å
61N86.2Confident77.3Confident0 Ų029.6 Ų29.60%017%0.168CC..Hα-helixtrans-60.5-44.5177.3-68.2-7.9000111.1S52 K54 S59 A63 Q64 A65 E261 N294S52-N61 VanDerWaalsContact OG-CB 3.26Å; S52-N61 WeakPolarHBondContact OG-CB 3.37Å; S52-N61 VanDerWaalsContact OG-CG 3.28Å; K54-N61 HydrophobicContact CB-CB 3.86Å; K54-N61 CarbonylContact O-C 3.57Å; K54-N61 WeakPolarHBondContact O-CB 3.39Å; S59-N61 PolarHBondContact O-N 3.45Å; S59-N61 WeakPolarHBondContact OG-CB 3.48Å; S59-N61 PolarHBondContact OG-ND2 3.49Å; N61-A63 VanDerWaalsContact C-N 3.33Å; N61-A63 PolarHBondContact O-N 2.91Å; N61-Q64 PolarHBondContact O-N 2.84Å; N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 3.19Å; N61-E261 VanDerWaalsContact ND2-CD 3.32Å; N61-E261 PolarHBondContact ND2-OE1 2.98Å; N61-E261 PolarHBondContact ND2-OE2 2.89Å; N61-N294 WeakPolarHBondContact OD1-CB 3.42Å; N61-N294 PolarHBondContact OD1-ND2 3.47Å
62H86.7Confident77.4Confident17 Ų1733.6 Ų33.68%0.07918%0.18CC..Hα-helixtrans-57.8-48.8173.3-17540000111.7K54 I55 T56 G60 Q64 A65 L66 V126K54-H62 PolarHBondContact O-N 3.32Å; K54-H62 VanDerWaalsContact O-N 3.07Å; I55-H62 HydrophobicContact CB-CB 4.44Å; I55-H62 WeakPolarHBondContact CB-ND1 3.47Å; I55-H62 HydrophobicContact CG2-CB 4.26Å; I55-H62 WeakPolarHBondContact CG2-CE1 3.46Å; I55-H62 WeakPolarHBondContact CG2-ND1 3.14Å; T56-H62 VanDerWaalsContact O-CB 3.29Å; T56-H62 WeakPolarHBondContact O-CB 3.38Å; G60-H62 PolarHBondContact O-N 3.3Å; H62-Q64 VanDerWaalsContact C-N 3.28Å; H62-Q64 PolarHBondContact O-N 2.88Å; H62-A65 PolarHBondContact O-N 3.33Å; H62-L66 VanDerWaalsContact O-CB 3.26Å; H62-L66 WeakPolarHBondContact O-CB 3.42Å; H62-L66 PolarHBondContact O-N 3.48Å; H62-V126 PolarHBondContact NE2-O 2.92Å; H62-V126 VanDerWaalsContact NE2-O 3.12Å
63A87.4Confident77.7Confident25 Ų2537.9 Ų37.921%0.20721%0.209CC..Hα-helixtrans-61.6-41.4-174.500000110.6G60 N61 A67 L79G60-A63 WeakPolarHBondContact O-CB 3.36Å; G60-A63 PolarHBondContact O-N 3Å; N61-A63 VanDerWaalsContact C-N 3.33Å; N61-A63 PolarHBondContact O-N 2.91Å; A63-A67 VanDerWaalsContact O-CB 3.23Å; A63-A67 WeakPolarHBondContact O-CB 3.17Å; A63-A67 PolarHBondContact O-N 3.3Å; A63-L79 HydrophobicContact CB-CD1 3.86Å; A63-L79 HydrophobicContact CB-CD2 3.85Å; A63-L79 HydrophobicContact CB-CG 4.38Å
64Q89.5Confident78.5Confident6 Ų639.8 Ų39.83%0.02824%0.238CC..Hα-helixtrans-69.8-43.7175.6-70.31805700112.7G60 N61 H62 A67 Y68 A92 Y96G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-N 3.11Å; N61-Q64 PolarHBondContact O-N 2.84Å; H62-Q64 VanDerWaalsContact C-N 3.28Å; H62-Q64 PolarHBondContact O-N 2.88Å; Q64-A67 PolarHBondContact O-N 3.43Å; Q64-Y68 WeakPolarHBondContact O-CB 3.29Å; Q64-Y68 PolarHBondContact O-N 2.99Å; Q64-A92 HydrophobicContact CG-CB 4.24Å; Q64-Y96 HydrophobicContact CB-CD2 3.91Å; Q64-Y96 HydrophobicContact CB-CE2 3.89Å; Q64-Y96 HydrophobicContact CG-CD2 4.18Å; Q64-Y96 HydrophobicContact CG-CE2 4.13Å
65A90.8Very high79.9Confident22 Ų2244.3 Ų44.318%0.18226%0.261CS..Hα-helixtrans-61.4-44.9176.700000111.6N61 H62 Y68 A69N61-A65 WeakPolarHBondContact O-CB 3.44Å; N61-A65 PolarHBondContact O-N 3.19Å; H62-A65 PolarHBondContact O-N 3.33Å; A65-Y68 PolarHBondContact O-N 3.05Å; A65-A69 WeakPolarHBondContact O-CB 3.36Å; A65-A69 PolarHBondContact O-N 2.67Å
66L90.8Very high82.2Confident40 Ų4049.6 Ų49.621%0.20928%0.283CS..Hα-helixtrans-64.3-44.9176.5-176.562.7000111.5H62 Y68 A69 T70 L79 V126H62-L66 VanDerWaalsContact O-CB 3.26Å; H62-L66 WeakPolarHBondContact O-CB 3.42Å; H62-L66 PolarHBondContact O-N 3.48Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.14Å; L66-A69 PolarHBondContact O-N 3.33Å; L66-T70 HydrophobicContact CD1-CG2 4.04Å; L66-T70 HydrophobicContact CG-CG2 4.37Å; L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 VanDerWaalsContact O-CG2 3.3Å; L66-T70 WeakPolarHBondContact O-CG2 3.43Å; L66-T70 PolarHBondContact O-N 2.87Å; L66-T70 PolarHBondContact O-OG1 3.48Å; L66-L79 HydrophobicContact CD2-CD2 4.48Å; L66-V126 HydrophobicContact CD1-CB 4.31Å; L66-V126 HydrophobicContact CD1-CG1 4.31Å; L66-V126 HydrophobicContact CD1-CG2 4.15Å; L66-V126 HydrophobicContact CD2-CB 4.08Å; L66-V126 HydrophobicContact CD2-CG2 4.44Å
67A92.1Very high84.5Confident0 Ų049.7 Ų49.70%028%0.284CS..Hα-helixtrans-58.1-46.4174.900000111.4A63 Q64 T70 K71 L79 Y96 A98A63-A67 VanDerWaalsContact O-CB 3.23Å; A63-A67 WeakPolarHBondContact O-CB 3.17Å; A63-A67 PolarHBondContact O-N 3.3Å; Q64-A67 PolarHBondContact O-N 3.43Å; A67-T70 WeakPolarHBondContact CA-OG1 3.48Å; A67-T70 PolarHBondContact O-OG1 3.32Å; A67-K71 VanDerWaalsContact O-CB 3.31Å; A67-K71 WeakPolarHBondContact O-CB 3.43Å; A67-K71 PolarHBondContact O-N 3.16Å; A67-L79 HydrophobicContact CB-CD1 4.28Å; A67-Y96 CarbonylContact C-O 3.46Å; A67-A98 HydrophobicContact CB-CB 3.67Å
68Y92.1Very high86.8Confident60 Ų6047.2 Ų47.224%0.23528%0.275CS..Hα-helixtrans-63.4-45.6178.8177.7-99.4000112.4K49 T50 Q64 A65 L66 K72 Y96K49-Y68 HydrophobicContact CB-CD1 4.5Å; K49-Y68 HydrophobicContact CB-CE1 3.85Å; K49-Y68 HydrophobicContact CB-CE2 4.16Å; K49-Y68 HydrophobicContact CG-CE1 4.17Å; K49-Y68 WeakPolarHBondContact CG-OH 3.33Å; T50-Y68 VanDerWaalsContact CG2-CB 3.48Å; T50-Y68 HydrophobicContact CG2-CD1 4.24Å; T50-Y68 HydrophobicContact CG2-CD2 4.28Å; T50-Y68 HydrophobicContact CG2-CG 3.76Å; Q64-Y68 WeakPolarHBondContact O-CB 3.29Å; Q64-Y68 PolarHBondContact O-N 2.99Å; A65-Y68 PolarHBondContact O-N 3.05Å; L66-Y68 VanDerWaalsContact C-N 3.33Å; L66-Y68 PolarHBondContact O-N 3.14Å; Y68-K72 HydrophobicContact CE1-CD 3.89Å; Y68-K72 PolarHBondContact O-N 3.37Å; Y68-K72 VanDerWaalsContact O-N 3.11Å; Y68-K72 VanDerWaalsContact OH-CE 3.24Å; Y68-K72 WeakPolarHBondContact OH-CE 3.48Å; Y68-Y96 AromaticContact CD2-CD1 3.86Å; Y68-Y96 HydrophobicContact CD2-CD1 3.86Å; Y68-Y96 HydrophobicContact CD2-CE1 4.1Å
69A91.6Very high88.8Confident46 Ų4645.9 Ų45.938%0.3827%0.265SS..Hα-helixtrans-64-48179.200000111.8A65 L66 K71 K72 C73A65-A69 WeakPolarHBondContact O-CB 3.36Å; A65-A69 PolarHBondContact O-N 2.67Å; L66-A69 PolarHBondContact O-N 3.33Å; A69-K71 PolarHBondContact O-N 3.09Å; A69-K72 WeakPolarHBondContact O-CB 3.2Å; A69-K72 PolarHBondContact O-N 3.49Å; A69-C73 PolarHBondContact O-N 3.26Å; A69-C73 PolarHBondContact O-SG 2.89Å; A69-C73 VanDerWaalsContact O-SG 3.34Å
70T92.5Very high90.5Very high18 Ų1847.2 Ų47.211%0.1127%0.273CS..Hα-helixtrans-63.7-39.7178.850.30000112.4L66 A67 K72 C73 G74 I75 C77L66-T70 HydrophobicContact CD1-CG2 4.04Å; L66-T70 HydrophobicContact CG-CG2 4.37Å; L66-T70 WeakPolarHBondContact O-CB 3.47Å; L66-T70 VanDerWaalsContact O-CG2 3.3Å; L66-T70 WeakPolarHBondContact O-CG2 3.43Å; L66-T70 PolarHBondContact O-N 2.87Å; L66-T70 PolarHBondContact O-OG1 3.48Å; A67-T70 WeakPolarHBondContact CA-OG1 3.48Å; A67-T70 PolarHBondContact O-OG1 3.32Å; T70-K72 VanDerWaalsContact C-N 3.33Å; T70-K72 PolarHBondContact O-N 2.85Å; T70-C73 CarbonylContact O-C 3.07Å; T70-C73 PolarHBondContact O-N 3.16Å; T70-C73 VanDerWaalsContact O-N 3.14Å; T70-G74 PolarHBondContact O-N 3Å; T70-I75 CarbonylContact C-O 3.53Å; T70-I75 WeakPolarHBondContact CB-O 3.41Å; T70-I75 HydrophobicContact CG2-CB 4.47Å; T70-I75 HydrophobicContact CG2-CG2 4.42Å; T70-I75 PolarHBondContact O-N 3.24Å; T70-C77 HydrophobicContact CG2-CB 3.99Å; T70-C77 WeakPolarHBondContact OG1-CB 3.27Å
71K93Very high91.2Very high120 Ų12047 Ų4752%0.52227%0.268SS..Hα-helixtrans-58.5-43.5172.2-180177.1-176.8-179.20112.1A67 A69 C73 G74 L95 Y96A67-K71 VanDerWaalsContact O-CB 3.31Å; A67-K71 WeakPolarHBondContact O-CB 3.43Å; A67-K71 PolarHBondContact O-N 3.16Å; A69-K71 PolarHBondContact O-N 3.09Å; K71-C73 VanDerWaalsContact C-N 3.31Å; K71-C73 PolarHBondContact O-N 3.42Å; K71-G74 PolarHBondContact O-N 3.25Å; K71-L95 PolarHBondContact NZ-O 3.38Å; K71-Y96 VanDerWaalsContact CB-O 3.29Å; K71-Y96 WeakPolarHBondContact CB-O 3.32Å; K71-Y96 WeakPolarHBondContact CD-O 3.28Å
72K91Very high91.3Very high101 Ų10147.8 Ų47.844%0.43927%0.274SS..Hα-helixtrans-62.2-37.5175-86.5-170.7154.7-162.50112.8S20 Y68 A69 T70 G74S20-K72 PolarHBondContact OG-NZ 3.02Å; S20-K72 VanDerWaalsContact OG-NZ 3.07Å; Y68-K72 HydrophobicContact CE1-CD 3.89Å; Y68-K72 PolarHBondContact O-N 3.37Å; Y68-K72 VanDerWaalsContact O-N 3.11Å; Y68-K72 VanDerWaalsContact OH-CE 3.24Å; Y68-K72 WeakPolarHBondContact OH-CE 3.48Å; A69-K72 WeakPolarHBondContact O-CB 3.2Å; A69-K72 PolarHBondContact O-N 3.49Å; T70-K72 VanDerWaalsContact C-N 3.33Å; T70-K72 PolarHBondContact O-N 2.85Å; K72-G74 VanDerWaalsContact C-N 3.3Å; K72-G74 PolarHBondContact O-N 3.16Å
73C91.4Very high91.4Very high92 Ų9250.8 Ų50.862%0.62230%0.296SS*.THydrogen-bonded Turntrans-81.9-2.8178.7-60.90000114A69 T70 K71 I75A69-C73 PolarHBondContact O-N 3.26Å; A69-C73 PolarHBondContact O-SG 2.89Å; A69-C73 VanDerWaalsContact O-SG 3.34Å; T70-C73 CarbonylContact O-C 3.07Å; T70-C73 PolarHBondContact O-N 3.16Å; T70-C73 VanDerWaalsContact O-N 3.14Å; K71-C73 VanDerWaalsContact C-N 3.31Å; K71-C73 PolarHBondContact O-N 3.42Å; C73-I75 HydrophobicContact CB-CB 4.47Å; C73-I75 HydrophobicContact CB-CD1 3.69Å; C73-I75 HydrophobicContact CB-CG1 3.84Å; C73-I75 PolarHBondContact O-N 3.06Å
74G92.3Very high91.2Very high73 Ų7355 Ų5575%0.75332%0.315SS*.THydrogen-bonded Turntrans66.722.8-173.500000113.8T70 K71 K72T70-G74 PolarHBondContact O-N 3Å; K71-G74 PolarHBondContact O-N 3.25Å; K72-G74 VanDerWaalsContact C-N 3.3Å; K72-G74 PolarHBondContact O-N 3.16Å
75I93.6Very high90.8Very high104 Ų10456.5 Ų56.553%0.53333%0.325SS..  trans-98.2140-177.9-62.1172.5000109.5T70 C73 C77T70-I75 CarbonylContact C-O 3.53Å; T70-I75 WeakPolarHBondContact CB-O 3.41Å; T70-I75 HydrophobicContact CG2-CB 4.47Å; T70-I75 HydrophobicContact CG2-CG2 4.42Å; T70-I75 PolarHBondContact O-N 3.24Å; C73-I75 HydrophobicContact CB-CB 4.47Å; C73-I75 HydrophobicContact CB-CD1 3.69Å; C73-I75 HydrophobicContact CB-CG1 3.84Å; C73-I75 PolarHBondContact O-N 3.06Å; I75-C77 PolarHBondContact O-N 3.45Å
76K93.6Very high90.3Very high152 Ų15257.2 Ų57.266%0.66133%0.331SS*.  trans-66.6131.9173.9-177.3174.8177.3171.20110.7E99K76-E99 WeakPolarHBondContact CE-OE2 3.49Å; K76-E99 IonicContact NZ-OE2 2.74Å; K76-E99 PolarHBondContact NZ-OE2 3.07Å
77C94.3Very high89.9Confident9 Ų964.1 Ų64.16%0.06136%0.355CS..  trans-123.4127.6174-177.10000111.1T70 I75 E99T70-C77 HydrophobicContact CG2-CB 3.99Å; T70-C77 WeakPolarHBondContact OG1-CB 3.27Å; I75-C77 PolarHBondContact O-N 3.45Å; C77-E99 PolarHBondContact O-N 3.03Å
78T94.5Very high89.4Confident44 Ų4467.2 Ų67.227%0.2738%0.38SS..EExtended strand (participates in β ladder)trans-114.9124.4173-55.70000109.3E99 V101 I117T78-E99 CarbonylContact C-O 3.6Å; T78-E99 WeakPolarHBondContact CA-O 3.46Å; T78-V101 HydrophobicContact CG2-CB 4.43Å; T78-V101 HydrophobicContact CG2-CG2 3.6Å; T78-I117 HydrophobicContact CG2-CD1 3.99Å
79L92.4Very high88.9Confident16 Ų1666.4 Ų66.48%0.08438%0.377CS..EExtended strand (participates in β ladder)trans-108.8122.1177.6-59.5172.8000110.3A63 L66 A67 C81 A98 E99 L100 V101A63-L79 HydrophobicContact CB-CD1 3.86Å; A63-L79 HydrophobicContact CB-CD2 3.85Å; A63-L79 HydrophobicContact CB-CG 4.38Å; L66-L79 HydrophobicContact CD2-CD2 4.48Å; A67-L79 HydrophobicContact CB-CD1 4.28Å; L79-C81 PolarHBondContact O-N 3.29Å; L79-A98 HydrophobicContact CD1-CB 3.43Å; L79-A98 VanDerWaalsContact CD1-CB 3.43Å; L79-A98 HydrophobicContact CG-CB 3.75Å; L79-E99 PolarHBondContact N-O 3.08Å; L79-L100 HydrophobicContact CB-CD2 3.76Å; L79-L100 HydrophobicContact CD1-CD2 3.95Å; L79-L100 HydrophobicContact CG-CD2 4.39Å; L79-V101 PolarHBondContact O-N 3.38Å
80V91.2Very high88.6Confident29 Ų2965.7 Ų65.718%0.17637%0.367CS..EExtended strand (participates in β ladder)trans-83.5114.2171.1178.80000109.2V101 C103 R110 T113 C114 I117V80-V101 CarbonylContact C-O 3.51Å; V80-V101 VanDerWaalsContact CA-O 3.3Å; V80-V101 WeakPolarHBondContact CA-O 3.43Å; V80-C103 HydrophobicContact CG1-CB 4.25Å; V80-R110 HydrophobicContact CG1-CG 4.43Å; V80-T113 HydrophobicContact CB-CG2 4.41Å; V80-T113 HydrophobicContact CG1-CG2 3.73Å; V80-T113 HydrophobicContact CG2-CG2 3.76Å; V80-C114 VanDerWaalsContact CG2-SG 3.57Å; V80-I117 HydrophobicContact CG2-CD1 3.52Å
81C88.2Confident88.4Confident12 Ų1269.2 Ų69.28%0.08138%0.382CS..EExtended strand (participates in β ladder)trans-119.2140-176.451.70000111.6L79 V101 F102 C103L79-C81 PolarHBondContact O-N 3.29Å; C81-V101 PolarHBondContact N-O 2.91Å; C81-F102 CarbonylContact O-C 3.47Å; C81-F102 VanDerWaalsContact O-CA 3.26Å; C81-F102 WeakPolarHBondContact O-CA 3.39Å; C81-F102 WeakPolarHBondContact SG-CD1 3.37Å; C81-F102 WeakPolarHBondContact SG-CE1 3.43Å; C81-C103 PolarHBondContact O-N 3.16Å; C81-C103 PolarHBondContact O-SG 3.2Å
82P88.1Confident88.2Confident18 Ų1864.5 Ų64.512%0.11737%0.365CS..EExtended strand (participates in β ladder)trans-55.6144.6166.6-30.238.9000112.3N84 T85 C103 P105 R110P82-N84 WeakPolarHBondContact CB-OD1 3.27Å; P82-N84 PolarHBondContact O-N 2.74Å; P82-N84 VanDerWaalsContact O-N 3.12Å; P82-T85 WeakPolarHBondContact CD-OG1 3.12Å; P82-T85 VanDerWaalsContact O-CB 3.31Å; P82-T85 WeakPolarHBondContact O-CB 3.4Å; P82-T85 PolarHBondContact O-N 3.47Å; P82-T85 PolarHBondContact O-OG1 2.99Å; P82-C103 CarbonylContact C-O 3.19Å; P82-C103 WeakPolarHBondContact CA-O 3.48Å; P82-P105 HydrophobicContact CB-CB 4.08Å; P82-R110 VanDerWaalsContact CG-NH1 3.31Å
83S88.9Confident88.2Confident79 Ų7960.1 Ų60.155%0.55235%0.347SS*.THydrogen-bonded Turntrans-60.5-21.6176.357.10000113.9C103S83-C103 PolarHBondContact N-O 3.33Å
84N83.2Confident88.2Confident114 Ų11461.6 Ų61.661%0.6134%0.343SS*.THydrogen-bonded Turntrans-96.215.2176.170.5-17.3000113.8P82 A86 P105P82-N84 WeakPolarHBondContact CB-OD1 3.27Å; P82-N84 PolarHBondContact O-N 2.74Å; P82-N84 VanDerWaalsContact O-N 3.12Å; N84-A86 PolarHBondContact O-N 3.14Å; N84-P105 WeakPolarHBondContact OD1-CB 3.47Å
85T81.6Confident88.2Confident37 Ų3763.9 Ų63.923%0.22734%0.338CS..  trans-60135.9176.2-58.60000110.2P82 K89 I90P82-T85 WeakPolarHBondContact CD-OG1 3.12Å; P82-T85 VanDerWaalsContact O-CB 3.31Å; P82-T85 WeakPolarHBondContact O-CB 3.4Å; P82-T85 PolarHBondContact O-N 3.47Å; P82-T85 PolarHBondContact O-OG1 2.99Å; T85-K89 HydrophobicContact CG2-CB 4.07Å; T85-I90 HydrophobicContact CG2-CG1 4Å; T85-I90 WeakPolarHBondContact O-CD1 3.14Å
86A79.4Confident88.1Confident38 Ų3860.8 Ų60.831%0.31432%0.319SS..  trans-57.9139.1179.400000111.9N84 A88 K89 I90N84-A86 PolarHBondContact O-N 3.14Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 2.8Å; A86-K89 HydrophobicContact CB-CD 4.44Å; A86-K89 HydrophobicContact CB-CG 4.36Å; A86-K89 WeakPolarHBondContact O-CB 3.07Å; A86-K89 PolarHBondContact O-N 2.98Å; A86-I90 PolarHBondContact O-N 2.94Å; A86-I90 VanDerWaalsContact O-N 3.17Å
87R83.2Confident88Confident185 Ų18555.9 Ų55.970%0.69831%0.312SS*.Hα-helixtrans-55-45.3-176.8-178.3176.6173177.8-3.2113K89 I90 E91R87-K89 PolarHBondContact O-N 2.84Å; R87-I90 WeakPolarHBondContact O-CB 3.24Å; R87-I90 PolarHBondContact O-N 2.91Å; R87-I90 VanDerWaalsContact O-N 3.07Å; R87-E91 HydrophobicContact CG-CG 4.25Å; R87-E91 IonicContact CZ-OE1 2.75Å; R87-E91 VanDerWaalsContact CZ-OE1 3.31Å; R87-E91 IonicContact NE-OE1 3.95Å; R87-E91 PolarHBondContact NE-OE1 2.87Å; R87-E91 IonicContact NE-OE2 2.97Å; R87-E91 IonicContact NH2-OE1 3.31Å; R87-E91 PolarHBondContact NH2-OE1 3.08Å; R87-E91 WeakPolarHBondContact O-CG 3.44Å; R87-E91 PolarHBondContact O-N 3.41Å
88A81.6Confident87.9Confident64 Ų6455.9 Ų55.953%0.52931%0.313SS..Hα-helixtrans-56-36.717800000112.6A86 A92A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 2.8Å; A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 2.95Å
89K80.9Confident87.8Confident43 Ų4358 Ų5819%0.18732%0.32CS..Hα-helixtrans-73.5-39.5178.2-59.8-175.9-177.8-167.90111.5S59 T85 A86 R87 S93 D214S59-K89 WeakPolarHBondContact O-CD 3.24Å; S59-K89 VanDerWaalsContact O-CE 3.23Å; S59-K89 WeakPolarHBondContact O-CE 3.21Å; S59-K89 PolarHBondContact O-NZ 3.02Å; T85-K89 HydrophobicContact CG2-CB 4.07Å; A86-K89 HydrophobicContact CB-CD 4.44Å; A86-K89 HydrophobicContact CB-CG 4.36Å; A86-K89 WeakPolarHBondContact O-CB 3.07Å; A86-K89 PolarHBondContact O-N 2.98Å; R87-K89 PolarHBondContact O-N 2.84Å; K89-S93 WeakPolarHBondContact O-CB 3.45Å; K89-S93 PolarHBondContact O-N 2.93Å; K89-S93 PolarHBondContact O-OG 2.85Å; K89-D214 IonicContact NZ-OD2 3.22Å; K89-D214 PolarHBondContact NZ-OD2 3.06Å
90I85.8Confident87.8Confident31 Ų3158.6 Ų58.616%0.15932%0.323CS..Hα-helixtrans-60.1-48173.7-70.2169.9000110.4T85 A86 R87 S93 K94 L100 F102T85-I90 HydrophobicContact CG2-CG1 4Å; T85-I90 WeakPolarHBondContact O-CD1 3.14Å; A86-I90 PolarHBondContact O-N 2.94Å; A86-I90 VanDerWaalsContact O-N 3.17Å; R87-I90 WeakPolarHBondContact O-CB 3.24Å; R87-I90 PolarHBondContact O-N 2.91Å; R87-I90 VanDerWaalsContact O-N 3.07Å; I90-S93 PolarHBondContact O-N 3.21Å; I90-K94 HydrophobicContact CG2-CD 4.35Å; I90-K94 WeakPolarHBondContact O-CG 3.37Å; I90-K94 PolarHBondContact O-N 3.28Å; I90-L100 HydrophobicContact CB-CD1 4.21Å; I90-L100 HydrophobicContact CG1-CD1 4.36Å; I90-L100 HydrophobicContact CG2-CD1 3.64Å; I90-F102 HydrophobicContact CD1-CE1 3.78Å; I90-F102 HydrophobicContact CD1-CZ 4.06Å; I90-F102 HydrophobicContact CG1-CE1 4.26Å; I90-F102 HydrophobicContact CG1-CZ 4.44Å; I90-F102 HydrophobicContact CG2-CZ 4.48Å
91E89Confident87.9Confident93 Ų9359.2 Ų59.244%0.43533%0.326SS..Hα-helixtrans-66-44.7-178.7-72175.3161.600111.5R87 K94 L95R87-E91 HydrophobicContact CG-CG 4.25Å; R87-E91 IonicContact CZ-OE1 2.75Å; R87-E91 VanDerWaalsContact CZ-OE1 3.31Å; R87-E91 IonicContact NE-OE1 3.95Å; R87-E91 PolarHBondContact NE-OE1 2.87Å; R87-E91 IonicContact NE-OE2 2.97Å; R87-E91 IonicContact NH2-OE1 3.31Å; R87-E91 PolarHBondContact NH2-OE1 3.08Å; R87-E91 WeakPolarHBondContact O-CG 3.44Å; R87-E91 PolarHBondContact O-N 3.41Å; E91-K94 PolarHBondContact O-N 3.26Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 2.85Å
92A88.2Confident88.1Confident20 Ų2063.4 Ų63.417%0.16534%0.344CS..Hα-helixtrans-59.7-47.617500000112.1Q64 A88 K94 L95 Y96Q64-A92 HydrophobicContact CG-CB 4.24Å; A88-A92 VanDerWaalsContact O-CB 3.31Å; A88-A92 WeakPolarHBondContact O-CB 3.36Å; A88-A92 PolarHBondContact O-N 2.95Å; A92-K94 VanDerWaalsContact C-N 3.35Å; A92-K94 PolarHBondContact O-N 3.26Å; A92-L95 WeakPolarHBondContact O-CB 3.39Å; A92-L95 PolarHBondContact O-N 2.79Å; A92-Y96 HydrophobicContact CB-CE2 4.19Å; A92-Y96 WeakPolarHBondContact O-CD2 3.44Å; A92-Y96 PolarHBondContact O-N 3.29Å
93S89.9Confident88.3Confident9 Ų963.2 Ų63.26%0.06334%0.342CS..Hα-helixtrans-60.5-41177.2-730000113K89 I90 Y96 G97 A98K89-S93 WeakPolarHBondContact O-CB 3.45Å; K89-S93 PolarHBondContact O-N 2.93Å; K89-S93 PolarHBondContact O-OG 2.85Å; I90-S93 PolarHBondContact O-N 3.21Å; S93-Y96 CarbonylContact O-C 3.55Å; S93-Y96 PolarHBondContact O-N 2.92Å; S93-G97 PolarHBondContact O-N 3.16Å; S93-A98 WeakPolarHBondContact O-CB 3.47Å; S93-A98 PolarHBondContact O-N 3.42Å; S93-A98 VanDerWaalsContact O-N 3.14Å
94K91.6Very high88.5Confident124 Ų12462 Ų6254%0.53934%0.337SS..Hα-helixtrans-65.9-41.2175-74.5-179-179.9-174.80112.3I90 E91 A92 Y96 G97 L100I90-K94 HydrophobicContact CG2-CD 4.35Å; I90-K94 WeakPolarHBondContact O-CG 3.37Å; I90-K94 PolarHBondContact O-N 3.28Å; E91-K94 PolarHBondContact O-N 3.26Å; A92-K94 VanDerWaalsContact C-N 3.35Å; A92-K94 PolarHBondContact O-N 3.26Å; K94-Y96 PolarHBondContact O-N 2.96Å; K94-G97 WeakPolarHBondContact O-CA 3.36Å; K94-G97 PolarHBondContact O-N 3.37Å; K94-L100 HydrophobicContact CD-CD1 4.39Å; K94-L100 HydrophobicContact CG-CD1 3.9Å; K94-L100 HydrophobicContact CG-CG 4.2Å
95L92.3Very high88.6Confident120 Ų12059.8 Ų59.863%0.62833%0.329SS*.Hα-helixtrans-59.3-37.7175.7179.364.6000111.4K71 E91 A92 G97K71-L95 PolarHBondContact NZ-O 3.38Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 2.85Å; A92-L95 WeakPolarHBondContact O-CB 3.39Å; A92-L95 PolarHBondContact O-N 2.79Å; L95-G97 PolarHBondContact O-N 3.32Å
96Y92.3Very high88.7Confident39 Ų3961.1 Ų61.115%0.15334%0.337CS..THydrogen-bonded Turntrans-77.510.3172.6-58.1-42.5000114.1T50 Q64 A67 Y68 K71 A92 S93 K94T50-Y96 HydrophobicContact CG2-CD2 4.3Å; T50-Y96 HydrophobicContact CG2-CE1 4.27Å; T50-Y96 HydrophobicContact CG2-CE2 3.83Å; Q64-Y96 HydrophobicContact CB-CD2 3.91Å; Q64-Y96 HydrophobicContact CB-CE2 3.89Å; Q64-Y96 HydrophobicContact CG-CD2 4.18Å; Q64-Y96 HydrophobicContact CG-CE2 4.13Å; A67-Y96 CarbonylContact C-O 3.46Å; Y68-Y96 AromaticContact CD2-CD1 3.86Å; Y68-Y96 HydrophobicContact CD2-CD1 3.86Å; Y68-Y96 HydrophobicContact CD2-CE1 4.1Å; K71-Y96 VanDerWaalsContact CB-O 3.29Å; K71-Y96 WeakPolarHBondContact CB-O 3.32Å; K71-Y96 WeakPolarHBondContact CD-O 3.28Å; A92-Y96 HydrophobicContact CB-CE2 4.19Å; A92-Y96 WeakPolarHBondContact O-CD2 3.44Å; A92-Y96 PolarHBondContact O-N 3.29Å; S93-Y96 CarbonylContact O-C 3.55Å; S93-Y96 PolarHBondContact O-N 2.92Å; K94-Y96 PolarHBondContact O-N 2.96Å
97G90.6Very high88.9Confident49 Ų4963.3 Ų63.351%0.50534%0.342SS..THydrogen-bonded Turntrans82.510.816900000115.3S93 K94 L95S93-G97 PolarHBondContact O-N 3.16Å; K94-G97 WeakPolarHBondContact O-CA 3.36Å; K94-G97 PolarHBondContact O-N 3.37Å; L95-G97 PolarHBondContact O-N 3.32Å
98A93Very high89.1Confident9 Ų958 Ų587%0.07433%0.331CS..  trans-79.1139.7176.700000112.8A67 L79 S93A67-A98 HydrophobicContact CB-CB 3.67Å; L79-A98 HydrophobicContact CD1-CB 3.43Å; L79-A98 VanDerWaalsContact CD1-CB 3.43Å; L79-A98 HydrophobicContact CG-CB 3.75Å; S93-A98 WeakPolarHBondContact O-CB 3.47Å; S93-A98 PolarHBondContact O-N 3.42Å; S93-A98 VanDerWaalsContact O-N 3.14Å
99E92.9Very high89.5Confident90 Ų9055.1 Ų55.142%0.42131%0.308SS..EExtended strand (participates in β ladder)trans-76131.7163-172.7-177.215500109.1K76 C77 T78 L79K76-E99 WeakPolarHBondContact CE-OE2 3.49Å; K76-E99 IonicContact NZ-OE2 2.74Å; K76-E99 PolarHBondContact NZ-OE2 3.07Å; C77-E99 PolarHBondContact O-N 3.03Å; T78-E99 CarbonylContact C-O 3.6Å; T78-E99 WeakPolarHBondContact CA-O 3.46Å; L79-E99 PolarHBondContact N-O 3.08Å
100L92.5Very high89.9Confident27 Ų2756.1 Ų56.114%0.14131%0.31CS..EExtended strand (participates in β ladder)trans-105.2127.2179.8-61.1-172000111L79 I90 K94 F102L79-L100 HydrophobicContact CB-CD2 3.76Å; L79-L100 HydrophobicContact CD1-CD2 3.95Å; L79-L100 HydrophobicContact CG-CD2 4.39Å; I90-L100 HydrophobicContact CB-CD1 4.21Å; I90-L100 HydrophobicContact CG1-CD1 4.36Å; I90-L100 HydrophobicContact CG2-CD1 3.64Å; K94-L100 HydrophobicContact CD-CD1 4.39Å; K94-L100 HydrophobicContact CG-CD1 3.9Å; K94-L100 HydrophobicContact CG-CG 4.2Å; L100-F102 HydrophobicContact CB-CE2 4.25Å; L100-F102 HydrophobicContact CB-CZ 4.37Å; L100-F102 HydrophobicContact CD1-CZ 4.2Å
101V93.1Very high90Very high42 Ų4258.9 Ų58.926%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-112.8118.7169.9179.30000108.7T78 L79 V80 C81 T113 I117T78-V101 HydrophobicContact CG2-CB 4.43Å; T78-V101 HydrophobicContact CG2-CG2 3.6Å; L79-V101 PolarHBondContact O-N 3.38Å; V80-V101 CarbonylContact C-O 3.51Å; V80-V101 VanDerWaalsContact CA-O 3.3Å; V80-V101 WeakPolarHBondContact CA-O 3.43Å; C81-V101 PolarHBondContact N-O 2.91Å; V101-T113 HydrophobicContact CG1-CG2 3.7Å; V101-I117 HydrophobicContact CB-CD1 4.09Å; V101-I117 HydrophobicContact CG1-CD1 4.18Å; V101-I117 HydrophobicContact CG2-CD1 3.99Å
102F93Very high90.2Very high101 Ų10162 Ų6244%0.44333%0.332SS..EExtended strand (participates in β ladder)trans-85.2146.1-178.6-66.3-82.2000112.1C81 I90 L100C81-F102 CarbonylContact O-C 3.47Å; C81-F102 VanDerWaalsContact O-CA 3.26Å; C81-F102 WeakPolarHBondContact O-CA 3.39Å; C81-F102 WeakPolarHBondContact SG-CD1 3.37Å; C81-F102 WeakPolarHBondContact SG-CE1 3.43Å; I90-F102 HydrophobicContact CD1-CE1 3.78Å; I90-F102 HydrophobicContact CD1-CZ 4.06Å; I90-F102 HydrophobicContact CG1-CE1 4.26Å; I90-F102 HydrophobicContact CG1-CZ 4.44Å; I90-F102 HydrophobicContact CG2-CZ 4.48Å; L100-F102 HydrophobicContact CB-CE2 4.25Å; L100-F102 HydrophobicContact CB-CZ 4.37Å; L100-F102 HydrophobicContact CD1-CZ 4.2Å
103C92.1Very high90.5Very high13 Ų1362.7 Ų62.79%0.08834%0.335CS..EExtended strand (participates in β ladder)trans-140.1169.1175.266.40000111.3V80 C81 P82 S83 A109 R110V80-C103 HydrophobicContact CG1-CB 4.25Å; C81-C103 PolarHBondContact O-N 3.16Å; C81-C103 PolarHBondContact O-SG 3.2Å; P82-C103 CarbonylContact C-O 3.19Å; P82-C103 WeakPolarHBondContact CA-O 3.48Å; S83-C103 PolarHBondContact N-O 3.33Å; C103-A109 HydrophobicContact CB-CB 4.4Å; C103-R110 VanDerWaalsContact SG-CG 3.51Å
104A92.2Very high90.6Very high53 Ų5363.8 Ų63.844%0.43834%0.342SS..  trans-59.3149.217200000110.9T106 A109A104-T106 PolarHBondContact O-N 3.08Å; A104-A109 HydrophobicContact CB-CB 3.88Å; A104-A109 WeakPolarHBondContact O-CB 3.49Å
105P85.8Confident90.6Very high69 Ų6962 Ų6245%0.44834%0.338SS..SBendtrans-78.349.9-172.434.4-38.5000113.5P82 N84P82-P105 HydrophobicContact CB-CB 4.08Å; N84-P105 WeakPolarHBondContact OD1-CB 3.47Å
106T84.4Confident90.7Very high64 Ų6458.5 Ų58.539%0.39333%0.327SS..SBendtrans-130.2149.9179.971.50000110.6A104 A109 R110A104-T106 PolarHBondContact O-N 3.08Å; T106-A109 PolarHBondContact O-N 3.05Å; T106-A109 VanDerWaalsContact OG1-CB 3.29Å; T106-A109 WeakPolarHBondContact OG1-CB 3.45Å; T106-A109 PolarHBondContact OG1-N 3.06Å; T106-R110 PolarHBondContact O-N 3.33Å; T106-R110 VanDerWaalsContact O-N 3.16Å
107M82.1Confident90.7Very high85 Ų8558.2 Ų58.242%0.41933%0.328SS..Hα-helixtrans-61.2-43177.5-164.763.18400112.7A109 R110 I111M107-A109 VanDerWaalsContact C-N 3.32Å; M107-A109 PolarHBondContact O-N 3.16Å; M107-R110 PolarHBondContact O-N 3.2Å; M107-R110 PolarHBondContact SD-NH2 3.24Å; M107-I111 HydrophobicContact CG-CD1 3.92Å; M107-I111 HydrophobicContact CG-CG1 4.45Å; M107-I111 WeakPolarHBondContact O-CG1 3.34Å; M107-I111 PolarHBondContact O-N 2.78Å
108P87.8Confident90.7Very high72 Ų7257.9 Ų57.947%0.46832%0.317SS..Hα-helixtrans-59.9-38.2175.8-26.636.9000113.6R112P108-R112 WeakPolarHBondContact O-CB 3.36Å; P108-R112 WeakPolarHBondContact O-CG 3.45Å; P108-R112 PolarHBondContact O-N 2.94Å
109A89.8Confident90.8Very high5 Ų563 Ų634%0.04135%0.348CS..Hα-helixtrans-64.9-45.4176.900000111.6C103 A104 T106 M107 I111 R112 T113C103-A109 HydrophobicContact CB-CB 4.4Å; A104-A109 HydrophobicContact CB-CB 3.88Å; A104-A109 WeakPolarHBondContact O-CB 3.49Å; T106-A109 PolarHBondContact O-N 3.05Å; T106-A109 VanDerWaalsContact OG1-CB 3.29Å; T106-A109 WeakPolarHBondContact OG1-CB 3.45Å; T106-A109 PolarHBondContact OG1-N 3.06Å; M107-A109 VanDerWaalsContact C-N 3.32Å; M107-A109 PolarHBondContact O-N 3.16Å; A109-I111 PolarHBondContact O-N 3.36Å; A109-R112 PolarHBondContact O-N 2.9Å; A109-T113 WeakPolarHBondContact O-CB 3.48Å; A109-T113 PolarHBondContact O-N 3.19Å; A109-T113 PolarHBondContact O-OG1 2.93Å; A109-T113 VanDerWaalsContact O-OG1 3.06Å
110R89.5Confident90.9Very high63 Ų6365.3 Ų65.324%0.23836%0.363CS..Hα-helixtrans-57.1-49.7175.2-74.3-170-66.4-111.30.4112.1V80 P82 C103 T106 M107 R112 T113 C114V80-R110 HydrophobicContact CG1-CG 4.43Å; P82-R110 VanDerWaalsContact CG-NH1 3.31Å; C103-R110 VanDerWaalsContact SG-CG 3.51Å; T106-R110 PolarHBondContact O-N 3.33Å; T106-R110 VanDerWaalsContact O-N 3.16Å; M107-R110 PolarHBondContact O-N 3.2Å; M107-R110 PolarHBondContact SD-NH2 3.24Å; R110-R112 PolarHBondContact O-N 3.2Å; R110-T113 PolarHBondContact O-N 2.89Å; R110-C114 WeakPolarHBondContact O-CB 3.41Å; R110-C114 PolarHBondContact O-N 3.46Å; R110-C114 PolarHBondContact O-SG 3.01Å
111I88.3Confident91Very high89 Ų8968.4 Ų68.446%0.45638%0.383SS..Hα-helixtrans-59.9-48.2179.9-67.7165.1000110.5M107 A109 T113 C114 N115M107-I111 HydrophobicContact CG-CD1 3.92Å; M107-I111 HydrophobicContact CG-CG1 4.45Å; M107-I111 WeakPolarHBondContact O-CG1 3.34Å; M107-I111 PolarHBondContact O-N 2.78Å; A109-I111 PolarHBondContact O-N 3.36Å; I111-T113 PolarHBondContact O-N 3.38Å; I111-C114 PolarHBondContact O-N 3.06Å; I111-N115 WeakPolarHBondContact O-CB 3.36Å; I111-N115 VanDerWaalsContact O-CG 3.23Å; I111-N115 PolarHBondContact O-N 3.46Å; I111-N115 PolarHBondContact O-OD1 2.97Å
112R93.7Very high90.9Very high159 Ų15969.6 Ų69.660%0.640%0.404SS*.Hα-helixtrans-58.9-45.3178.3-75-168.5-55.9-94.63.5112.1P108 A109 R110 N115 A116P108-R112 WeakPolarHBondContact O-CB 3.36Å; P108-R112 WeakPolarHBondContact O-CG 3.45Å; P108-R112 PolarHBondContact O-N 2.94Å; A109-R112 PolarHBondContact O-N 2.9Å; R110-R112 PolarHBondContact O-N 3.2Å; R112-N115 PolarHBondContact O-N 3.5Å; R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 3.42Å
113T93.5Very high90.8Very high35 Ų3566.9 Ų66.922%0.21540%0.4CS..Hα-helixtrans-66.6-43.3179.6-58.80000111.8V80 V101 A109 R110 I111 N115 A116 I117V80-T113 HydrophobicContact CB-CG2 4.41Å; V80-T113 HydrophobicContact CG1-CG2 3.73Å; V80-T113 HydrophobicContact CG2-CG2 3.76Å; V101-T113 HydrophobicContact CG1-CG2 3.7Å; A109-T113 WeakPolarHBondContact O-CB 3.48Å; A109-T113 PolarHBondContact O-N 3.19Å; A109-T113 PolarHBondContact O-OG1 2.93Å; A109-T113 VanDerWaalsContact O-OG1 3.06Å; R110-T113 PolarHBondContact O-N 2.89Å; I111-T113 PolarHBondContact O-N 3.38Å; T113-N115 PolarHBondContact O-N 3.4Å; T113-A116 PolarHBondContact O-N 2.87Å; T113-I117 HydrophobicContact CG2-CD1 3.98Å; T113-I117 WeakPolarHBondContact O-CG1 3.32Å; T113-I117 PolarHBondContact O-N 3.17Å
114C91.4Very high90.8Very high32 Ų3271.6 Ų71.622%0.21643%0.433CS..Hα-helixtrans-59-46.9174.6-71.50000111.7V80 R110 I111 I117 S118 L125V80-C114 VanDerWaalsContact CG2-SG 3.57Å; R110-C114 WeakPolarHBondContact O-CB 3.41Å; R110-C114 PolarHBondContact O-N 3.46Å; R110-C114 PolarHBondContact O-SG 3.01Å; I111-C114 PolarHBondContact O-N 3.06Å; C114-I117 PolarHBondContact O-N 3.42Å; C114-S118 WeakPolarHBondContact O-CB 3.39Å; C114-S118 PolarHBondContact O-N 3.4Å; C114-L125 HydrophobicContact CB-CD1 4.23Å
115N91.9Very high90.7Very high85 Ų8574.2 Ų74.246%0.45544%0.439SS..Hα-helixtrans-63.2-44.5179.7-69.8-4.7000111.3I111 R112 T113 I117 S118 T119I111-N115 WeakPolarHBondContact O-CB 3.36Å; I111-N115 VanDerWaalsContact O-CG 3.23Å; I111-N115 PolarHBondContact O-N 3.46Å; I111-N115 PolarHBondContact O-OD1 2.97Å; R112-N115 PolarHBondContact O-N 3.5Å; T113-N115 PolarHBondContact O-N 3.4Å; N115-I117 VanDerWaalsContact C-N 3.34Å; N115-I117 PolarHBondContact O-N 3.42Å; N115-S118 PolarHBondContact O-N 2.9Å; N115-T119 WeakPolarHBondContact O-CB 3.39Å; N115-T119 PolarHBondContact O-N 3.02Å; N115-T119 PolarHBondContact O-OG1 3.47Å; N115-T119 VanDerWaalsContact O-OG1 3.05Å
116A93.7Very high90.8Very high48 Ų4873.8 Ų73.840%0.39744%0.435SS..Hα-helixtrans-60.6-41.8177.400000112.4R112 T113 N120R112-A116 WeakPolarHBondContact O-CB 3.48Å; R112-A116 PolarHBondContact O-N 3.42Å; T113-A116 PolarHBondContact O-N 2.87Å; A116-N120 VanDerWaalsContact O-CB 3.3Å; A116-N120 WeakPolarHBondContact O-CB 3.43Å; A116-N120 PolarHBondContact O-N 2.8Å; A116-N120 PolarHBondContact O-ND2 3.23Å
117I92.6Very high91Very high33 Ų3373.4 Ų73.417%0.16943%0.429CS..Hα-helixtrans-64-47.7175.7-68.1163.5000110.4T78 V80 V101 T113 C114 N115 T119 N120 T121T78-I117 HydrophobicContact CG2-CD1 3.99Å; V80-I117 HydrophobicContact CG2-CD1 3.52Å; V101-I117 HydrophobicContact CB-CD1 4.09Å; V101-I117 HydrophobicContact CG1-CD1 4.18Å; V101-I117 HydrophobicContact CG2-CD1 3.99Å; T113-I117 HydrophobicContact CG2-CD1 3.98Å; T113-I117 WeakPolarHBondContact O-CG1 3.32Å; T113-I117 PolarHBondContact O-N 3.17Å; C114-I117 PolarHBondContact O-N 3.42Å; N115-I117 VanDerWaalsContact C-N 3.34Å; N115-I117 PolarHBondContact O-N 3.42Å; I117-T119 PolarHBondContact O-N 3.3Å; I117-N120 PolarHBondContact O-N 3.03Å; I117-T121 HydrophobicContact CG2-CG2 4.4Å; I117-T121 WeakPolarHBondContact O-CB 3.3Å; I117-T121 WeakPolarHBondContact O-CG2 3.47Å; I117-T121 PolarHBondContact O-N 3.18Å; I117-T121 PolarHBondContact O-OG1 3.28Å
118S92.2Very high91.3Very high42 Ų4269.3 Ų69.329%0.29441%0.409SS..Hα-helixtrans-59.3-47.6179.1-175.20000111.3C114 N115 N120 G122 A123C114-S118 WeakPolarHBondContact O-CB 3.39Å; C114-S118 PolarHBondContact O-N 3.4Å; N115-S118 PolarHBondContact O-N 2.9Å; S118-N120 PolarHBondContact O-N 2.85Å; S118-G122 VanDerWaalsContact O-CA 3.32Å; S118-G122 WeakPolarHBondContact O-CA 3.34Å; S118-G122 PolarHBondContact O-N 3.4Å; S118-A123 WeakPolarHBondContact CB-O 3.32Å; S118-A123 PolarHBondContact OG-O 3.11Å
119T94.4Very high91.5Very high116 Ų11666.7 Ų66.771%0.71239%0.39SS*.Hα-helixtrans-60.7-41.9176.6-59.20000112.7N115 I117N115-T119 WeakPolarHBondContact O-CB 3.39Å; N115-T119 PolarHBondContact O-N 3.02Å; N115-T119 PolarHBondContact O-OG1 3.47Å; N115-T119 VanDerWaalsContact O-OG1 3.05Å; I117-T119 PolarHBondContact O-N 3.3Å
120N95.1Very high91.6Very high138 Ų13868.1 Ų68.174%0.73840%0.397SS*.Hα-helixtrans-81-23.6-174.7-69.2-17.3000114A116 I117 S118A116-N120 VanDerWaalsContact O-CB 3.3Å; A116-N120 WeakPolarHBondContact O-CB 3.43Å; A116-N120 PolarHBondContact O-N 2.8Å; A116-N120 PolarHBondContact O-ND2 3.23Å; I117-N120 PolarHBondContact O-N 3.03Å; S118-N120 PolarHBondContact O-N 2.85Å
121T93.5Very high91.8Very high93 Ų9367.5 Ų67.557%0.57140%0.399SS*.Hα-helixtrans-115.6-14.5-17363.80000113.8I117 A123I117-T121 HydrophobicContact CG2-CG2 4.4Å; I117-T121 WeakPolarHBondContact O-CB 3.3Å; I117-T121 WeakPolarHBondContact O-CG2 3.47Å; I117-T121 PolarHBondContact O-N 3.18Å; I117-T121 PolarHBondContact O-OG1 3.28Å; T121-A123 PolarHBondContact O-N 3.05Å; T121-A123 VanDerWaalsContact OG1-CB 3.23Å; T121-A123 WeakPolarHBondContact OG1-CB 3.4Å; T121-A123 PolarHBondContact OG1-N 3.41Å
122G92.1Very high92.1Very high66 Ų6666.9 Ų66.968%0.6840%0.396SS*.  trans72.19.7-168.900000113.8S118S118-G122 VanDerWaalsContact O-CA 3.32Å; S118-G122 WeakPolarHBondContact O-CA 3.34Å; S118-G122 PolarHBondContact O-N 3.4Å
123A91.1Very high92.1Very high44 Ų4464.2 Ų64.236%0.36439%0.394SS..  trans-67.1138.8-178.900000112.4S118 T121S118-A123 WeakPolarHBondContact CB-O 3.32Å; S118-A123 PolarHBondContact OG-O 3.11Å; T121-A123 PolarHBondContact O-N 3.05Å; T121-A123 VanDerWaalsContact OG1-CB 3.23Å; T121-A123 WeakPolarHBondContact OG1-CB 3.4Å; T121-A123 PolarHBondContact OG1-N 3.41Å
124S91.8Very high92.1Very high113 Ų11363.1 Ų63.179%0.7939%0.387SS*.  trans-75.2132.4172.9-58.20000111.3
125L89.3Confident92.2Very high108 Ų10861.6 Ų61.657%0.56538%0.376SS*.  trans-82.8115.6172.6-179.666.1000109.9C114 H127C114-L125 HydrophobicContact CB-CD1 4.23Å; L125-H127 PolarHBondContact O-N 3.17Å
126V89.4Confident92.4Very high59 Ų5957.6 Ų57.636%0.35836%0.355SS..  trans-88.8105174.2-176.90000109.5H62 L66 V134H62-V126 PolarHBondContact NE2-O 2.92Å; H62-V126 VanDerWaalsContact NE2-O 3.12Å; L66-V126 HydrophobicContact CD1-CB 4.31Å; L66-V126 HydrophobicContact CD1-CG1 4.31Å; L66-V126 HydrophobicContact CD1-CG2 4.15Å; L66-V126 HydrophobicContact CD2-CB 4.08Å; L66-V126 HydrophobicContact CD2-CG2 4.44Å; V126-V134 HydrophobicContact CG1-CG2 4.19Å
127H88.4Confident92.5Very high56 Ų5656.5 Ų56.526%0.25935%0.348SS..  trans-67.1153.6179.6-167.8-104.1000111.5H57 L125 H129 D130 D131 V134H57-H127 AromaticContact NE2-CD2 3.9Å; H57-H127 AromaticContact NE2-NE2 3.71Å; L125-H127 PolarHBondContact O-N 3.17Å; H127-H129 AromaticContact CE1-CD2 3.79Å; H127-H129 AromaticContact CE1-CE1 3.31Å; H127-H129 PolarHBondContact CE1-CE1 2.84Å; H127-H129 AromaticContact CE1-CG 3.92Å; H127-H129 AromaticContact CE1-ND1 3.63Å; H127-H129 AromaticContact CE1-NE2 3.43Å; H127-H129 PolarHBondContact CE1-NE2 3.5Å; H127-H129 PolarHBondContact ND1-N 3.01Å; H127-H129 AromaticContact NE2-CE1 3.94Å; H127-H129 PolarHBondContact O-N 3.48Å; H127-D130 WeakPolarHBondContact CE1-CB 2.96Å; H127-D130 PolarHBondContact CE1-N 2.78Å; H127-D130 WeakPolarHBondContact ND1-CA 3.39Å; H127-D130 VanDerWaalsContact ND1-CB 3.27Å; H127-D130 WeakPolarHBondContact ND1-CB 3.34Å; H127-D130 PolarHBondContact ND1-N 2.93Å; H127-D131 HydrophobicContact CB-CB 4.15Å; H127-V134 WeakPolarHBondContact O-CG2 3.48Å
128S88.1Confident92.5Very high0 Ų055.1 Ų55.10%034%0.341CS..SBendtrans-881.3-170.167.70000115.2I55 H57I55-S128 CarbonylContact C-O 3.54Å; I55-S128 WeakPolarHBondContact CG2-O 3.32Å; H57-S128 PolarHBondContact CD2-OG 2.87Å; H57-S128 PolarHBondContact N-OG 2.92Å
129H91Very high92.7Very high16 Ų1653.1 Ų53.17%0.07433%0.327CS..SBendtrans-171.5-39.6178.750.1-84.1000112.7H127 D131 I135 G161 T225H127-H129 AromaticContact CE1-CD2 3.79Å; H127-H129 AromaticContact CE1-CE1 3.31Å; H127-H129 PolarHBondContact CE1-CE1 2.84Å; H127-H129 AromaticContact CE1-CG 3.92Å; H127-H129 AromaticContact CE1-ND1 3.63Å; H127-H129 AromaticContact CE1-NE2 3.43Å; H127-H129 PolarHBondContact CE1-NE2 3.5Å; H127-H129 PolarHBondContact ND1-N 3.01Å; H127-H129 AromaticContact NE2-CE1 3.94Å; H127-H129 PolarHBondContact O-N 3.48Å; H129-D131 PolarHBondContact O-N 2.83Å; H129-I135 VanDerWaalsContact O-CG1 3.28Å; H129-I135 WeakPolarHBondContact O-CG1 3.39Å; H129-G161 VanDerWaalsContact CD2-C 3.46Å; H129-G161 VanDerWaalsContact CD2-CA 3.41Å; H129-G161 WeakPolarHBondContact CD2-CA 3.39Å; H129-G161 PolarHBondContact CD2-O 3.24Å; H129-T225 WeakPolarHBondContact O-CG2 3.46Å
130D93Very high92.8Very high36 Ų3647.8 Ų47.819%0.19330%0.295CS..SBendtrans-87.646.4-176-153.641.4000113.7H127 G222 E223 Q224 T225H127-D130 WeakPolarHBondContact CE1-CB 2.96Å; H127-D130 PolarHBondContact CE1-N 2.78Å; H127-D130 WeakPolarHBondContact ND1-CA 3.39Å; H127-D130 VanDerWaalsContact ND1-CB 3.27Å; H127-D130 WeakPolarHBondContact ND1-CB 3.34Å; H127-D130 PolarHBondContact ND1-N 2.93Å; D130-G222 VanDerWaalsContact CG-C 3.48Å; D130-G222 WeakPolarHBondContact OD1-CA 3.49Å; D130-G222 WeakPolarHBondContact OD2-CA 3.47Å; D130-E223 VanDerWaalsContact CG-N 3.27Å; D130-E223 PolarHBondContact OD1-N 3.34Å; D130-E223 VanDerWaalsContact OD1-N 3.1Å; D130-E223 PolarHBondContact OD2-N 3.03Å; D130-Q224 WeakPolarHBondContact OD1-CA 3.37Å; D130-Q224 VanDerWaalsContact OD1-CB 3.27Å; D130-Q224 WeakPolarHBondContact OD1-CB 3.46Å; D130-Q224 PolarHBondContact OD1-N 2.84Å; D130-T225 PolarHBondContact OD1-N 2.9Å; D130-T225 VanDerWaalsContact OD1-N 3.11Å
131D92.6Very high92.9Very high50 Ų5041.2 Ų41.227%0.26726%0.26SS..SBendtrans-134.4136.1178174.4-62.4000107.7H127 H129 D133 V134 I135H127-D131 HydrophobicContact CB-CB 4.15Å; H129-D131 PolarHBondContact O-N 2.83Å; D131-D133 PolarHBondContact O-N 2.84Å; D131-D133 WeakPolarHBondContact OD1-CB 3.43Å; D131-D133 PolarHBondContact OD1-N 2.97Å; D131-V134 HydrophobicContact CB-CB 3.94Å; D131-V134 HydrophobicContact CB-CG2 3.83Å; D131-V134 WeakPolarHBondContact O-CB 3.25Å; D131-V134 PolarHBondContact O-N 3.05Å; D131-V134 PolarHBondContact OD1-N 3.16Å; D131-V134 VanDerWaalsContact OD1-N 3.15Å; D131-I135 VanDerWaalsContact O-CG1 3.23Å; D131-I135 WeakPolarHBondContact O-CG1 3.47Å; D131-I135 PolarHBondContact O-N 2.79Å
132L94.5Very high93.1Very high75 Ų7536.8 Ų36.839%0.39323%0.232SC..Hα-helixtrans-66.7-37.6-172.2-64.4176.2000112.6V5 V134 I135 A136 Q224V5-L132 HydrophobicContact CG2-CB 4.4Å; V5-L132 HydrophobicContact CG2-CD2 3.83Å; L132-V134 VanDerWaalsContact C-N 3.31Å; L132-I135 HydrophobicContact CD2-CD1 4.4Å; L132-I135 PolarHBondContact O-N 2.95Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.22Å; L132-Q224 HydrophobicContact CD2-CB 4.23Å; L132-Q224 HydrophobicContact CD2-CG 4.38Å
133D93.8Very high93.3Very high104 Ų10435.1 Ų35.156%0.55621%0.208SC*.Hα-helixtrans-67.5-36.5175.3-77.1-50.9000110.5R16 D131 A136 G137R16-D133 IonicContact NH1-OD1 3.9Å; D131-D133 PolarHBondContact O-N 2.84Å; D131-D133 WeakPolarHBondContact OD1-CB 3.43Å; D131-D133 PolarHBondContact OD1-N 2.97Å; D133-A136 PolarHBondContact O-N 3.23Å; D133-G137 PolarHBondContact O-N 3.43Å
134V93.1Very high93.6Very high11 Ų1133.4 Ų33.47%0.06719%0.192CC..Hα-helixtrans-66.5-42.5174.8170.70000111.5I55 V126 H127 D131 L132 G137 Q138I55-V134 HydrophobicContact CB-CG1 4.27Å; I55-V134 HydrophobicContact CD1-CG1 4.04Å; I55-V134 HydrophobicContact CG2-CG1 3.53Å; V126-V134 HydrophobicContact CG1-CG2 4.19Å; H127-V134 WeakPolarHBondContact O-CG2 3.48Å; D131-V134 HydrophobicContact CB-CB 3.94Å; D131-V134 HydrophobicContact CB-CG2 3.83Å; D131-V134 WeakPolarHBondContact O-CB 3.25Å; D131-V134 PolarHBondContact O-N 3.05Å; D131-V134 PolarHBondContact OD1-N 3.16Å; D131-V134 VanDerWaalsContact OD1-N 3.15Å; L132-V134 VanDerWaalsContact C-N 3.31Å; V134-G137 PolarHBondContact O-N 3.44Å; V134-Q138 HydrophobicContact CG1-CG 4.4Å; V134-Q138 WeakPolarHBondContact O-CB 3.46Å; V134-Q138 WeakPolarHBondContact O-CG 3.29Å; V134-Q138 PolarHBondContact O-N 2.96Å
135I95.5Very high93.9Very high0 Ų028 Ų280%016%0.155CC..Hα-helixtrans-64.4-44.4176.5-66.5161.6000110.2V5 H129 D131 L132 Q138 G139 A166 G167 Q224 T225 I228V5-I135 HydrophobicContact CB-CG2 4.04Å; V5-I135 HydrophobicContact CG1-CG2 4.39Å; V5-I135 HydrophobicContact CG2-CB 3.8Å; V5-I135 HydrophobicContact CG2-CG2 3.5Å; H129-I135 VanDerWaalsContact O-CG1 3.28Å; H129-I135 WeakPolarHBondContact O-CG1 3.39Å; D131-I135 VanDerWaalsContact O-CG1 3.23Å; D131-I135 WeakPolarHBondContact O-CG1 3.47Å; D131-I135 PolarHBondContact O-N 2.79Å; L132-I135 HydrophobicContact CD2-CD1 4.4Å; L132-I135 PolarHBondContact O-N 2.95Å; I135-Q138 PolarHBondContact O-N 3.37Å; I135-G139 PolarHBondContact O-N 2.88Å; I135-A166 HydrophobicContact CG1-CB 4.49Å; I135-A166 HydrophobicContact CG2-CB 3.81Å; I135-G167 WeakPolarHBondContact O-CA 3.4Å; I135-Q224 HydrophobicContact CD1-CB 4.02Å; I135-T225 HydrophobicContact CD1-CG2 3.74Å; I135-T225 HydrophobicContact CG1-CG2 4.09Å; I135-I228 HydrophobicContact CD1-CD1 4.18Å; I135-I228 HydrophobicContact CG2-CD1 4.25Å
136A95.7Very high94.3Very high2 Ų223.9 Ų23.92%0.01713%0.133CC..Hα-helixtrans-61.3-48.9176.400000111.4V5 D9 M10 A13 L132 D133 Q138 G139 T140V5-A136 HydrophobicContact CG1-CB 3.84Å; D9-A136 HydrophobicContact CB-CB 4.11Å; M10-A136 HydrophobicContact CG-CB 4.24Å; M10-A136 WeakPolarHBondContact CG-O 3.35Å; A13-A136 HydrophobicContact CB-CB 4.21Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.22Å; D133-A136 PolarHBondContact O-N 3.23Å; A136-Q138 VanDerWaalsContact C-N 3.32Å; A136-Q138 PolarHBondContact O-N 3.46Å; A136-G139 PolarHBondContact O-N 2.82Å; A136-G139 VanDerWaalsContact O-N 3.09Å; A136-T140 PolarHBondContact O-N 2.92Å
137G94.7Very high94.7Very high24 Ų2424.6 Ų24.625%0.24713%0.134CC..Hα-helixtrans-58.2-42.6175.200000112.3D133 V134 G139 T140D133-G137 PolarHBondContact O-N 3.43Å; V134-G137 PolarHBondContact O-N 3.44Å; G137-G139 VanDerWaalsContact C-N 3.32Å; G137-G139 PolarHBondContact O-N 2.85Å; G137-T140 WeakPolarHBondContact O-CB 2.89Å; G137-T140 WeakPolarHBondContact O-CG2 3.47Å; G137-T140 PolarHBondContact O-N 3.44Å; G137-T140 PolarHBondContact O-OG1 3.09Å
138Q94.1Very high95.1Very high4 Ų425.3 Ų25.32%0.01914%0.138CC..Hα-helixtrans-66.8-32.4176.4-72.4-77.4-39.300112.7F53 I55 V134 I135 A136 T140 V141 L164F53-Q138 HydrophobicContact CE1-CB 4.29Å; F53-Q138 HydrophobicContact CE1-CG 4.48Å; F53-Q138 WeakPolarHBondContact CE1-O 3.21Å; F53-Q138 PolarHBondContact O-NE2 3.15Å; I55-Q138 HydrophobicContact CD1-CG 4.39Å; I55-Q138 VanDerWaalsContact CG1-NE2 3.27Å; V134-Q138 HydrophobicContact CG1-CG 4.4Å; V134-Q138 WeakPolarHBondContact O-CB 3.46Å; V134-Q138 WeakPolarHBondContact O-CG 3.29Å; V134-Q138 PolarHBondContact O-N 2.96Å; I135-Q138 PolarHBondContact O-N 3.37Å; A136-Q138 VanDerWaalsContact C-N 3.32Å; A136-Q138 PolarHBondContact O-N 3.46Å; Q138-T140 PolarHBondContact O-N 2.92Å; Q138-V141 WeakPolarHBondContact O-CG1 3.41Å; Q138-V141 PolarHBondContact O-N 3.29Å; Q138-L164 HydrophobicContact CB-CD1 4.42Å
139G95.9Very high95.6Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-65.1-22.8177.700000114.3I135 A136 G137 V141 A142 G167I135-G139 PolarHBondContact O-N 2.88Å; A136-G139 PolarHBondContact O-N 2.82Å; A136-G139 VanDerWaalsContact O-N 3.09Å; G137-G139 VanDerWaalsContact C-N 3.32Å; G137-G139 PolarHBondContact O-N 2.85Å; G139-V141 PolarHBondContact O-N 2.86Å; G139-V141 VanDerWaalsContact O-N 3.16Å; G139-A142 WeakPolarHBondContact O-CB 3.44Å; G139-A142 PolarHBondContact O-N 3.33Å; G139-G167 WeakPolarHBondContact CA-O 3.33Å
140T95.9Very high95.9Very high5 Ų531.3 Ų31.33%0.03116%0.164CC..Hα-helixtrans-59.4-26.3177.965.20000113.8A13 Y14 A136 G137 Q138 A142 L143 E144A13-T140 HydrophobicContact CB-CG2 4.42Å; Y14-T140 HydrophobicContact CD2-CG2 4.08Å; A136-T140 PolarHBondContact O-N 2.92Å; G137-T140 WeakPolarHBondContact O-CB 2.89Å; G137-T140 WeakPolarHBondContact O-CG2 3.47Å; G137-T140 PolarHBondContact O-N 3.44Å; G137-T140 PolarHBondContact O-OG1 3.09Å; Q138-T140 PolarHBondContact O-N 2.92Å; T140-A142 PolarHBondContact O-N 3.37Å; T140-L143 VanDerWaalsContact O-CB 3.28Å; T140-L143 WeakPolarHBondContact O-CB 3.48Å; T140-L143 PolarHBondContact O-N 3.33Å; T140-L143 VanDerWaalsContact O-N 3.08Å; T140-E144 PolarHBondContact O-N 3.45Å; T140-E144 VanDerWaalsContact O-N 3.15Å
141V96.5Very high96Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-60-34.5173.672.70000111.7K43 E45 F53 Q138 G139 E144 F145 L164 V168 I289K43-V141 HydrophobicContact CG-CG2 3.85Å; E45-V141 HydrophobicContact CG-CG2 3.65Å; F53-V141 HydrophobicContact CD1-CB 4.29Å; F53-V141 HydrophobicContact CE1-CB 3.7Å; F53-V141 HydrophobicContact CE1-CG1 3.98Å; F53-V141 HydrophobicContact CE1-CG2 4.5Å; F53-V141 HydrophobicContact CE2-CB 4.14Å; F53-V141 HydrophobicContact CZ-CB 3.64Å; F53-V141 HydrophobicContact CZ-CG1 4.34Å; Q138-V141 WeakPolarHBondContact O-CG1 3.41Å; Q138-V141 PolarHBondContact O-N 3.29Å; G139-V141 PolarHBondContact O-N 2.86Å; G139-V141 VanDerWaalsContact O-N 3.16Å; V141-E144 PolarHBondContact O-N 3.07Å; V141-F145 WeakPolarHBondContact O-CB 3.35Å; V141-F145 PolarHBondContact O-N 2.91Å; V141-L164 HydrophobicContact CG1-CD1 3.78Å; V141-V168 HydrophobicContact CG1-CG2 3.73Å; V141-I289 HydrophobicContact CG1-CD1 3.96Å
142A97.6Very high96.3Very high0 Ų028.2 Ų28.20%015%0.153CC..Hα-helixtrans-75.2-28.4178.400000112.1G139 T140 L146 V168 W171 V172G139-A142 WeakPolarHBondContact O-CB 3.44Å; G139-A142 PolarHBondContact O-N 3.33Å; T140-A142 PolarHBondContact O-N 3.37Å; A142-L146 WeakPolarHBondContact O-CB 3.18Å; A142-L146 WeakPolarHBondContact O-CG 3.23Å; A142-L146 PolarHBondContact O-N 2.62Å; A142-V168 HydrophobicContact CB-CB 4.31Å; A142-V168 HydrophobicContact CB-CG1 4.11Å; A142-V168 HydrophobicContact CB-CG2 4.23Å; A142-W171 VanDerWaalsContact C-CD1 3.41Å; A142-W171 HydrophobicContact CB-CB 3.9Å; A142-W171 HydrophobicContact CB-CG 4.05Å; A142-V172 HydrophobicContact CB-CG2 4.21Å
143L96.4Very high96.5Very high31 Ų3126.7 Ų26.716%0.16215%0.145CC..Hα-helixtrans-59.1-54.9169.4-173.4165.6000109.6Y14 T140 F145 D147 W171Y14-L143 HydrophobicContact CD1-CD1 4.41Å; Y14-L143 HydrophobicContact CD2-CD1 3.99Å; Y14-L143 HydrophobicContact CD2-CD2 4.36Å; Y14-L143 HydrophobicContact CE2-CD1 4.45Å; Y14-L143 HydrophobicContact CE2-CD2 3.99Å; Y14-L143 HydrophobicContact CG-CD1 3.96Å; T140-L143 VanDerWaalsContact O-CB 3.28Å; T140-L143 WeakPolarHBondContact O-CB 3.48Å; T140-L143 PolarHBondContact O-N 3.33Å; T140-L143 VanDerWaalsContact O-N 3.08Å; L143-F145 VanDerWaalsContact C-N 3.34Å; L143-F145 PolarHBondContact O-N 3.47Å; L143-D147 WeakPolarHBondContact O-CB 3.49Å; L143-D147 PolarHBondContact O-N 3.43Å; L143-W171 VanDerWaalsContact CA-NE1 3.32Å; L143-W171 HydrophobicContact CB-CD2 4.14Å; L143-W171 HydrophobicContact CB-CH2 4.25Å; L143-W171 HydrophobicContact CB-CZ2 3.78Å; L143-W171 HydrophobicContact CD1-CH2 3.53Å; L143-W171 HydrophobicContact CD1-CZ2 3.82Å; L143-W171 HydrophobicContact CD1-CZ3 4Å; L143-W171 HydrophobicContact CG-CH2 3.76Å; L143-W171 HydrophobicContact CG-CZ2 3.47Å; L143-W171 VanDerWaalsContact CG-CZ2 3.47Å; L143-W171 HydrophobicContact CG-CZ3 4.48Å
144E97.5Very high96.8Very high8 Ų821.8 Ų21.84%0.03712%0.119CC..Hα-helixtrans-63.2-41.4178.9-63.3-174.8-175.900112.3Y14 I21 K43 T140 V141 D147 Q148Y14-E144 HydrophobicContact CE2-CG 4.02Å; I21-E144 WeakPolarHBondContact CG2-OE1 3.07Å; K43-E144 IonicContact NZ-OE2 3.52Å; K43-E144 PolarHBondContact NZ-OE2 3.48Å; T140-E144 PolarHBondContact O-N 3.45Å; T140-E144 VanDerWaalsContact O-N 3.15Å; V141-E144 PolarHBondContact O-N 3.07Å; E144-D147 WeakPolarHBondContact O-CB 3.46Å; E144-D147 PolarHBondContact O-N 3.33Å; E144-Q148 WeakPolarHBondContact O-CB 3.2Å; E144-Q148 VanDerWaalsContact O-CG 3.25Å; E144-Q148 WeakPolarHBondContact O-CG 3.49Å; E144-Q148 PolarHBondContact O-N 2.95Å; E144-Q148 PolarHBondContact O-OE1 3Å
145F98.3Very high97Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-68.3-44.2-174.4-162.9-177000112.2V26 F41 K43 V141 L143 D147 Q148 V149 L152 I155 G287 I289V26-F145 HydrophobicContact CG1-CE2 4.01Å; V26-F145 HydrophobicContact CG2-CD2 3.87Å; V26-F145 HydrophobicContact CG2-CE2 3.95Å; F41-F145 HydrophobicContact CB-CE2 3.97Å; F41-F145 HydrophobicContact CB-CZ 4.08Å; F41-F145 WeakPolarHBondContact O-CZ 3.48Å; K43-F145 HydrophobicContact CB-CD1 3.76Å; K43-F145 HydrophobicContact CB-CD2 4.04Å; K43-F145 HydrophobicContact CB-CE1 3.72Å; K43-F145 HydrophobicContact CB-CE2 4Å; K43-F145 HydrophobicContact CB-CG 3.92Å; K43-F145 HydrophobicContact CB-CZ 3.83Å; K43-F145 HydrophobicContact CD-CB 4.45Å; K43-F145 HydrophobicContact CD-CG 4.47Å; K43-F145 HydrophobicContact CG-CB 4.35Å; K43-F145 HydrophobicContact CG-CD1 4.26Å; K43-F145 HydrophobicContact CG-CG 4.16Å; V141-F145 WeakPolarHBondContact O-CB 3.35Å; V141-F145 PolarHBondContact O-N 2.91Å; L143-F145 VanDerWaalsContact C-N 3.34Å; L143-F145 PolarHBondContact O-N 3.47Å; F145-D147 PolarHBondContact O-N 3.49Å; F145-Q148 PolarHBondContact O-N 2.81Å; F145-V149 HydrophobicContact CD2-CB 4.47Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE2-CB 4.45Å; F145-V149 HydrophobicContact CE2-CG2 3.91Å; F145-V149 PolarHBondContact O-N 3.1Å; F145-L152 HydrophobicContact CD1-CD1 4.44Å; F145-L152 HydrophobicContact CD2-CD1 4.16Å; F145-L152 HydrophobicContact CE1-CD1 4.34Å; F145-L152 HydrophobicContact CE2-CD1 4.04Å; F145-L152 HydrophobicContact CG-CD1 4.36Å; F145-L152 HydrophobicContact CZ-CD1 4.14Å; F145-I155 HydrophobicContact CD1-CD1 4.32Å; F145-G287 VanDerWaalsContact CZ-CA 3.4Å; F145-I289 HydrophobicContact CD1-CG1 4.25Å; F145-I289 HydrophobicContact CE1-CG1 4.2Å
146L98.1Very high97.2Very high20 Ų2021.2 Ų21.211%0.10512%0.116CC..Hα-helixtrans-70.8-22.6174-67.5-177.6000112.6A142 K150 L152 I155 V172 V175 R176A142-L146 WeakPolarHBondContact O-CB 3.18Å; A142-L146 WeakPolarHBondContact O-CG 3.23Å; A142-L146 PolarHBondContact O-N 2.62Å; L146-K150 PolarHBondContact O-NZ 3.34Å; L146-L152 HydrophobicContact CD2-CB 4.35Å; L146-L152 HydrophobicContact CD2-CD1 4.19Å; L146-I155 HydrophobicContact CD2-CD1 4.41Å; L146-V172 HydrophobicContact CD1-CG2 4.13Å; L146-V175 HydrophobicContact CD1-CG2 3.52Å; L146-R176 HydrophobicContact CD1-CB 4.35Å
147D97.3Very high97.3Very high74 Ų7421.1 Ų21.140%0.39612%0.115SC..Hα-helixtrans-70.2-49.8169.8-175.146.7000111.7R23 L143 E144 F145 K150R23-D147 IonicContact CZ-OD2 3.82Å; R23-D147 IonicContact NH1-OD2 3.11Å; R23-D147 IonicContact NH2-OD2 2.78Å; R23-D147 PolarHBondContact NH2-OD2 2.99Å; L143-D147 WeakPolarHBondContact O-CB 3.49Å; L143-D147 PolarHBondContact O-N 3.43Å; E144-D147 WeakPolarHBondContact O-CB 3.46Å; E144-D147 PolarHBondContact O-N 3.33Å; F145-D147 PolarHBondContact O-N 3.49Å; D147-K150 WeakPolarHBondContact O-CE 3.35Å; D147-K150 PolarHBondContact O-NZ 3.11Å; D147-K150 IonicContact OD1-NZ 3.49Å; D147-K150 PolarHBondContact OD1-NZ 2.96Å
148Q98.5Very high97.4Very high71 Ų7120.2 Ų20.233%0.33210%0.104SC..Hα-helixtrans-70.9-32.6-177.2-69.6172.6-70.100113.3T24 V26 E144 F145T24-Q148 PolarHBondContact O-NE2 2.86Å; V26-Q148 HydrophobicContact CG2-CB 3.88Å; V26-Q148 HydrophobicContact CG2-CG 4.48Å; E144-Q148 WeakPolarHBondContact O-CB 3.2Å; E144-Q148 VanDerWaalsContact O-CG 3.25Å; E144-Q148 WeakPolarHBondContact O-CG 3.49Å; E144-Q148 PolarHBondContact O-N 2.95Å; E144-Q148 PolarHBondContact O-OE1 3Å; F145-Q148 PolarHBondContact O-N 2.81Å
149V98.3Very high97.5Very high9 Ų920 Ų206%0.05510%0.103CC..SBendtrans-125.2101.1-179.9-172.20000110.4V26 F41 F145 L152V26-V149 HydrophobicContact CB-CG2 4.26Å; V26-V149 HydrophobicContact CG1-CG2 3.69Å; V26-V149 HydrophobicContact CG2-CG2 4.2Å; F41-V149 HydrophobicContact CB-CG1 4.49Å; F41-V149 HydrophobicContact CB-CG2 4.22Å; F41-V149 HydrophobicContact CD1-CB 4.38Å; F41-V149 HydrophobicContact CD1-CG1 3.62Å; F41-V149 HydrophobicContact CD1-CG2 3.76Å; F41-V149 HydrophobicContact CD2-CG1 4.13Å; F41-V149 HydrophobicContact CE1-CG1 3.84Å; F41-V149 HydrophobicContact CE2-CG1 4.33Å; F41-V149 HydrophobicContact CG-CG1 3.79Å; F41-V149 HydrophobicContact CG-CG2 4.16Å; F41-V149 HydrophobicContact CZ-CG1 4.22Å; F145-V149 HydrophobicContact CD2-CB 4.47Å; F145-V149 HydrophobicContact CD2-CG2 4.1Å; F145-V149 HydrophobicContact CE2-CB 4.45Å; F145-V149 HydrophobicContact CE2-CG2 3.91Å; F145-V149 PolarHBondContact O-N 3.1Å; V149-L152 HydrophobicContact CB-CD1 4.29Å; V149-L152 HydrophobicContact CB-CD2 4.46Å; V149-L152 HydrophobicContact CB-CG 4.16Å; V149-L152 HydrophobicContact CG1-CD1 4.44Å; V149-L152 HydrophobicContact CG1-CD2 3.76Å; V149-L152 HydrophobicContact CG1-CG 3.81Å
150K96.1Very high97.4Very high133 Ų13320.3 Ų20.358%0.57811%0.106SC*.THydrogen-bonded Turntrans-71.2145.8169.3-50.1-54.3176.1-167.60109.3L146 D147 R285L146-K150 PolarHBondContact O-NZ 3.34Å; D147-K150 WeakPolarHBondContact O-CE 3.35Å; D147-K150 PolarHBondContact O-NZ 3.11Å; D147-K150 IonicContact OD1-NZ 3.49Å; D147-K150 PolarHBondContact OD1-NZ 2.96Å; K150-R285 PolarHBondContact O-NH2 3.33Å
151G96.5Very high97.3Very high21 Ų2120.2 Ų20.222%0.21611%0.107CC..THydrogen-bonded Turntrans82.224.1170.900000115.5R176 R285G151-R176 VanDerWaalsContact CA-NH2 3.27Å; G151-R285 WeakPolarHBondContact O-CB 3.47Å; G151-R285 VanDerWaalsContact O-CD 3.23Å; G151-R285 WeakPolarHBondContact O-CD 3.3Å; G151-R285 PolarHBondContact O-NE 2.9Å; G151-R285 VanDerWaalsContact O-NE 3.08Å
152L98.6Very high97.2Very high0 Ų020.4 Ų20.40%011%0.108CC..  trans-67.7135.4170.7-71.7178.4000110.5F41 F145 L146 V149 I155 R176 R285F41-L152 HydrophobicContact CB-CD2 4.32Å; F41-L152 HydrophobicContact CD2-CD2 3.66Å; F41-L152 HydrophobicContact CE2-CD2 4.36Å; F41-L152 HydrophobicContact CG-CD2 4.15Å; F145-L152 HydrophobicContact CD1-CD1 4.44Å; F145-L152 HydrophobicContact CD2-CD1 4.16Å; F145-L152 HydrophobicContact CE1-CD1 4.34Å; F145-L152 HydrophobicContact CE2-CD1 4.04Å; F145-L152 HydrophobicContact CG-CD1 4.36Å; F145-L152 HydrophobicContact CZ-CD1 4.14Å; L146-L152 HydrophobicContact CD2-CB 4.35Å; L146-L152 HydrophobicContact CD2-CD1 4.19Å; V149-L152 HydrophobicContact CB-CD1 4.29Å; V149-L152 HydrophobicContact CB-CD2 4.46Å; V149-L152 HydrophobicContact CB-CG 4.16Å; V149-L152 HydrophobicContact CG1-CD1 4.44Å; V149-L152 HydrophobicContact CG1-CD2 3.76Å; V149-L152 HydrophobicContact CG1-CG 3.81Å; L152-I155 HydrophobicContact CD1-CD1 4.25Å; L152-I155 HydrophobicContact CD1-CG1 4.15Å; L152-R176 PolarHBondContact O-NE 3.16Å; L152-R176 PolarHBondContact O-NH2 3.33Å; L152-R285 HydrophobicContact CD2-CB 4.38Å
153D98.7Very high97.1Very high44 Ų4420.5 Ų20.524%0.23511%0.109CC..SBendtrans-95.4-32.9177.2-55.5-44.1000110.9C179 K180 I283 R284 R285D153-C179 WeakPolarHBondContact O-CA 3.36Å; D153-K180 PolarHBondContact O-N 3.41Å; D153-I283 HydrophobicContact CB-CG2 4.23Å; D153-R284 PolarHBondContact OD2-N 3.16Å; D153-R285 PolarHBondContact N-O 3.32Å; D153-R285 WeakPolarHBondContact OD2-CB 3.34Å; D153-R285 PolarHBondContact OD2-N 3.31Å
154A98.8Very high97.1Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-145.9153.6176.100000112F156 K180 F182 I283 R285 I286 G287A154-F156 HydrophobicContact CB-CE1 4.29Å; A154-K180 CarbonylContact C-O 3.32Å; A154-K180 VanDerWaalsContact CA-O 3.24Å; A154-K180 WeakPolarHBondContact CA-O 3.35Å; A154-K180 HydrophobicContact CB-CB 4.19Å; A154-F182 HydrophobicContact CB-CD2 3.96Å; A154-F182 HydrophobicContact CB-CE2 3.84Å; A154-I283 HydrophobicContact CB-CG2 3.62Å; A154-R285 PolarHBondContact N-O 3.48Å; A154-I286 CarbonylContact O-C 3.04Å; A154-I286 WeakPolarHBondContact O-CA 3.48Å; A154-G287 PolarHBondContact O-N 2.64Å
155I98.9Very high97.1Very high0 Ų019.3 Ų19.30%010%0.103CC..EExtended strand (participates in β ladder)trans-122.2129.3165.3-57.4-177.6000108.8F145 L146 L152 V157 V168 V172 K180 V181 F182 G287 I289F145-I155 HydrophobicContact CD1-CD1 4.32Å; L146-I155 HydrophobicContact CD2-CD1 4.41Å; L152-I155 HydrophobicContact CD1-CD1 4.25Å; L152-I155 HydrophobicContact CD1-CG1 4.15Å; I155-V157 HydrophobicContact CG2-CG2 3.71Å; I155-V168 HydrophobicContact CD1-CG1 4.35Å; I155-V168 HydrophobicContact CG2-CG1 4.18Å; I155-V172 HydrophobicContact CD1-CG2 3.76Å; I155-K180 PolarHBondContact N-O 3.35Å; I155-V181 WeakPolarHBondContact O-CA 3.36Å; I155-F182 PolarHBondContact O-N 3.14Å; I155-G287 CarbonylContact C-O 3.55Å; I155-G287 WeakPolarHBondContact CA-O 3.48Å; I155-I289 HydrophobicContact CG2-CD1 4.39Å
156F98.7Very high97Very high0 Ų019.3 Ų19.30%010%0.103CC..EExtended strand (participates in β ladder)trans-96.9117.6174-72.25.5000109.1A154 F182 V184 F238 A270 A271 A276 L279 I286 G287 I288A154-F156 HydrophobicContact CB-CE1 4.29Å; F156-F182 HydrophobicContact CD1-CB 3.88Å; F156-F182 AromaticContact CD1-CD2 3.96Å; F156-F182 HydrophobicContact CD1-CD2 3.96Å; F156-F182 HydrophobicContact CD1-CG 4.31Å; F156-F182 HydrophobicContact CE1-CB 4.07Å; F156-F182 AromaticContact CE1-CD2 3.59Å; F156-F182 HydrophobicContact CE1-CD2 3.59Å; F156-F182 HydrophobicContact CE1-CE2 4.27Å; F156-F182 HydrophobicContact CE1-CG 4.06Å; F156-V184 HydrophobicContact CB-CG2 3.88Å; F156-V184 HydrophobicContact CG-CG2 4.37Å; F156-F238 HydrophobicContact CE1-CD2 4.43Å; F156-F238 AromaticContact CE1-CE2 3.82Å; F156-F238 HydrophobicContact CE1-CE2 3.82Å; F156-F238 HydrophobicContact CE1-CZ 4.22Å; F156-F238 HydrophobicContact CE2-CE2 4.42Å; F156-F238 HydrophobicContact CE2-CZ 4.39Å; F156-F238 HydrophobicContact CZ-CD2 4.35Å; F156-F238 HydrophobicContact CZ-CE1 4.3Å; F156-F238 AromaticContact CZ-CE2 3.75Å; F156-F238 HydrophobicContact CZ-CE2 3.75Å; F156-F238 AromaticContact CZ-CZ 3.74Å; F156-F238 HydrophobicContact CZ-CZ 3.74Å; F156-A270 HydrophobicContact CD2-CB 3.82Å; F156-A270 HydrophobicContact CE2-CB 4.11Å; F156-A271 HydrophobicContact CD2-CB 4.3Å; F156-A271 HydrophobicContact CE2-CB 4.11Å; F156-A276 HydrophobicContact CE2-CB 4.47Å; F156-L279 HydrophobicContact CE1-CD1 4.33Å; F156-L279 HydrophobicContact CZ-CD1 3.87Å; F156-I286 HydrophobicContact CD1-CG2 3.94Å; F156-I286 HydrophobicContact CD2-CG2 4.02Å; F156-I286 HydrophobicContact CE1-CG2 4.03Å; F156-I286 HydrophobicContact CE2-CD1 4.49Å; F156-I286 HydrophobicContact CE2-CG2 4.12Å; F156-I286 HydrophobicContact CG-CG2 3.94Å; F156-I286 HydrophobicContact CZ-CD1 4.09Å; F156-I286 HydrophobicContact CZ-CG2 4.12Å; F156-G287 PolarHBondContact N-O 3.21Å; F156-I288 HydrophobicContact CB-CG1 4.47Å
157V98.1Very high96.9Very high0 Ų018.3 Ų18.30%010%0.098CC..EExtended strand (participates in β ladder)trans-119.2124.2-173.6-169.90000110I155 T159 L164 A165 V168 V181 F182 C183 V184 I289I155-V157 HydrophobicContact CG2-CG2 3.71Å; V157-T159 PolarHBondContact O-N 3.3Å; V157-T159 PolarHBondContact O-OG1 2.73Å; V157-L164 HydrophobicContact CG1-CB 4.42Å; V157-L164 HydrophobicContact CG1-CD2 3.95Å; V157-L164 HydrophobicContact CG1-CG 3.69Å; V157-A165 HydrophobicContact CG1-CB 4.1Å; V157-V168 HydrophobicContact CG2-CB 4.11Å; V157-V168 HydrophobicContact CG2-CG1 3.72Å; V157-V168 HydrophobicContact CG2-CG2 4.37Å; V157-V181 HydrophobicContact CG2-CG1 3.92Å; V157-F182 PolarHBondContact N-O 3.38Å; V157-C183 CarbonylContact O-C 3.56Å; V157-V184 PolarHBondContact O-N 2.8Å; V157-I289 HydrophobicContact CG2-CD1 4.46Å
158Q96.4Very high97Very high4 Ų414.8 Ų14.82%0.0198%0.079CC..EExtended strand (participates in β ladder)trans-66.5129.4174.758.5-89.181.500111.6L164 V184 L216 S263 V266 I289 S291Q158-L164 HydrophobicContact CG-CD2 4.34Å; Q158-V184 WeakPolarHBondContact CA-O 3.24Å; Q158-L216 HydrophobicContact CB-CD1 4.14Å; Q158-L216 HydrophobicContact CB-CD2 4.04Å; Q158-L216 HydrophobicContact CG-CD2 4.28Å; Q158-S263 PolarHBondContact NE2-O 3.11Å; Q158-S263 VanDerWaalsContact NE2-O 3.17Å; Q158-V266 HydrophobicContact CB-CG2 3.23Å; Q158-V266 HydrophobicContact CG-CG2 4.36Å; Q158-I289 PolarHBondContact NE2-O 3.42Å; Q158-I289 PolarHBondContact OE1-O 3.3Å; Q158-S291 PolarHBondContact NE2-OG 3.36Å
159T96.6Very high96.9Very high0 Ų011.4 Ų11.40%06%0.063CC..  trans-117103.4-170.3-52.60000110.6V157 A165 C183 V184 K189 L191 L221V157-T159 PolarHBondContact O-N 3.3Å; V157-T159 PolarHBondContact O-OG1 2.73Å; T159-A165 HydrophobicContact CG2-CB 4.15Å; T159-C183 VanDerWaalsContact OG1-CB 3.31Å; T159-C183 WeakPolarHBondContact OG1-CB 3.23Å; T159-C183 PolarHBondContact OG1-SG 3.05Å; T159-C183 VanDerWaalsContact OG1-SG 3.33Å; T159-V184 PolarHBondContact N-O 3.35Å; T159-K189 WeakPolarHBondContact O-CD 3.3Å; T159-K189 WeakPolarHBondContact O-CE 3.38Å; T159-L191 HydrophobicContact CG2-CD2 3.58Å; T159-L221 HydrophobicContact CG2-CD2 3.64Å
160G93.5Very high96.9Very high6 Ų611.1 Ų11.16%0.0626%0.061CC..SBendtrans-93.4-111.8166.500000109.6G162 K189 L221G160-G162 PolarHBondContact O-N 3.26Å; G160-K189 VanDerWaalsContact O-CE 3.3Å; G160-K189 WeakPolarHBondContact O-CE 3.38Å; G160-K189 PolarHBondContact O-NZ 3.39Å; G160-L221 WeakPolarHBondContact O-CD2 3.42Å
161G93.8Very high97Very high4 Ų45.9 Ų5.94%0.0414%0.038CC..SBendtrans-69.5-6.4173.700000115.2H129 G222 T225H129-G161 VanDerWaalsContact CD2-C 3.46Å; H129-G161 VanDerWaalsContact CD2-CA 3.41Å; H129-G161 WeakPolarHBondContact CD2-CA 3.39Å; H129-G161 PolarHBondContact CD2-O 3.24Å; G161-G222 PolarHBondContact O-N 3.23Å; G161-T225 PolarHBondContact O-OG1 2.87Å
162G95.2Very high97.1Very high3 Ų34.9 Ų4.93%0.0313%0.028CC..SBendtrans100.8-10.6171.500000116.4G160 L164 A165 A166G160-G162 PolarHBondContact O-N 3.26Å; G162-L164 PolarHBondContact O-N 3.46Å; G162-A165 PolarHBondContact O-N 2.59Å; G162-A166 VanDerWaalsContact O-CB 3.24Å; G162-A166 WeakPolarHBondContact O-CB 3.5Å; G162-A166 PolarHBondContact O-N 2.97Å
163G94.8Very high97Very high2 Ų27.1 Ų7.12%0.0214%0.038CC..Hα-helixtrans-57.5-49-174.300000114G167G163-G167 PolarHBondContact O-N 2.84Å
164L95.7Very high96.9Very high14 Ų147.5 Ų7.57%0.0735%0.047CC..Hα-helixtrans-63.9-46.7176.1178.561.6000112.4F53 Q138 V141 V157 Q158 G162 A166 G167 V168 I289F53-L164 HydrophobicContact CD1-CD1 4.34Å; F53-L164 HydrophobicContact CE1-CD1 4.23Å; Q138-L164 HydrophobicContact CB-CD1 4.42Å; V141-L164 HydrophobicContact CG1-CD1 3.78Å; V157-L164 HydrophobicContact CG1-CB 4.42Å; V157-L164 HydrophobicContact CG1-CD2 3.95Å; V157-L164 HydrophobicContact CG1-CG 3.69Å; Q158-L164 HydrophobicContact CG-CD2 4.34Å; G162-L164 PolarHBondContact O-N 3.46Å; L164-A166 VanDerWaalsContact C-N 3.35Å; L164-A166 PolarHBondContact O-N 3.46Å; L164-G167 PolarHBondContact O-N 3.04Å; L164-V168 HydrophobicContact CD1-CG2 3.77Å; L164-V168 HydrophobicContact CG-CG2 4.31Å; L164-V168 WeakPolarHBondContact O-CB 3.5Å; L164-V168 VanDerWaalsContact O-CG2 3.25Å; L164-V168 WeakPolarHBondContact O-CG2 3.41Å; L164-V168 PolarHBondContact O-N 2.83Å; L164-I289 HydrophobicContact CD1-CD1 4.39Å
165A97.2Very high96.8Very high0 Ų010.3 Ų10.30%06%0.064CC..Hα-helixtrans-60.9-44178.500000111.8V157 T159 G162 A169 V229V157-A165 HydrophobicContact CG1-CB 4.1Å; T159-A165 HydrophobicContact CG2-CB 4.15Å; G162-A165 PolarHBondContact O-N 2.59Å; A165-A169 WeakPolarHBondContact O-CB 3.47Å; A165-A169 PolarHBondContact O-N 3.38Å; A165-V229 HydrophobicContact CB-CG2 4.03Å
166A97.1Very high96.7Very high0 Ų014.1 Ų14.10%08%0.078CC..Hα-helixtrans-61.6-48.6176.500000111.7I135 G162 L164 A169 S170 T225 I228 V229I135-A166 HydrophobicContact CG1-CB 4.49Å; I135-A166 HydrophobicContact CG2-CB 3.81Å; G162-A166 VanDerWaalsContact O-CB 3.24Å; G162-A166 WeakPolarHBondContact O-CB 3.5Å; G162-A166 PolarHBondContact O-N 2.97Å; L164-A166 VanDerWaalsContact C-N 3.35Å; L164-A166 PolarHBondContact O-N 3.46Å; A166-A169 PolarHBondContact O-N 3.31Å; A166-S170 WeakPolarHBondContact O-CB 3.31Å; A166-S170 PolarHBondContact O-N 3.49Å; A166-S170 PolarHBondContact O-OG 2.86Å; A166-S170 VanDerWaalsContact O-OG 3.1Å; A166-T225 HydrophobicContact CB-CG2 4.41Å; A166-I228 HydrophobicContact CB-CB 3.9Å; A166-I228 HydrophobicContact CB-CD1 4.13Å; A166-I228 HydrophobicContact CB-CG2 3.71Å; A166-V229 HydrophobicContact CB-CG2 4.27Å
167G96.8Very high96.7Very high0 Ų018.5 Ų18.50%011%0.106CC..Hα-helixtrans-62.9-48.8179.600000112.3I135 G139 G163 L164 A169 S170 W171I135-G167 WeakPolarHBondContact O-CA 3.4Å; G139-G167 WeakPolarHBondContact CA-O 3.33Å; G163-G167 PolarHBondContact O-N 2.84Å; L164-G167 PolarHBondContact O-N 3.04Å; G167-A169 PolarHBondContact O-N 3.07Å; G167-S170 PolarHBondContact O-N 2.97Å; G167-W171 PolarHBondContact O-N 2.75Å; G167-W171 VanDerWaalsContact O-N 3.07Å
168V97.9Very high96.6Very high0 Ų022.9 Ų22.90%014%0.137CC..Hα-helixtrans-59.8-48.5177.7171.20000110.8V141 A142 I155 V157 L164 S170 W171 V172 V181 I289V141-V168 HydrophobicContact CG1-CG2 3.73Å; A142-V168 HydrophobicContact CB-CB 4.31Å; A142-V168 HydrophobicContact CB-CG1 4.11Å; A142-V168 HydrophobicContact CB-CG2 4.23Å; I155-V168 HydrophobicContact CD1-CG1 4.35Å; I155-V168 HydrophobicContact CG2-CG1 4.18Å; V157-V168 HydrophobicContact CG2-CB 4.11Å; V157-V168 HydrophobicContact CG2-CG1 3.72Å; V157-V168 HydrophobicContact CG2-CG2 4.37Å; L164-V168 HydrophobicContact CD1-CG2 3.77Å; L164-V168 HydrophobicContact CG-CG2 4.31Å; L164-V168 WeakPolarHBondContact O-CB 3.5Å; L164-V168 VanDerWaalsContact O-CG2 3.25Å; L164-V168 WeakPolarHBondContact O-CG2 3.41Å; L164-V168 PolarHBondContact O-N 2.83Å; V168-S170 VanDerWaalsContact C-N 3.35Å; V168-S170 PolarHBondContact O-N 3.2Å; V168-W171 PolarHBondContact O-N 3.02Å; V168-V172 HydrophobicContact CG1-CG2 3.98Å; V168-V172 WeakPolarHBondContact O-CB 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.02Å; V168-V172 PolarHBondContact O-N 2.86Å; V168-V181 HydrophobicContact CG1-CG1 4.23Å; V168-I289 HydrophobicContact CG2-CD1 3.78Å
169A98Very high96.7Very high0 Ų022.7 Ų22.70%014%0.136CC..Hα-helixtrans-63.7-39.6-18000000112.4A165 A166 G167 K173 V181 K232A165-A169 WeakPolarHBondContact O-CB 3.47Å; A165-A169 PolarHBondContact O-N 3.38Å; A166-A169 PolarHBondContact O-N 3.31Å; G167-A169 PolarHBondContact O-N 3.07Å; A169-K173 WeakPolarHBondContact O-CB 3.26Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.21Å; A169-K173 PolarHBondContact O-N 3.32Å; A169-V181 HydrophobicContact CB-CB 4.37Å; A169-V181 HydrophobicContact CB-CG1 4.1Å; A169-K232 HydrophobicContact CB-CB 3.69Å
170S97.8Very high96.8Very high2 Ų225.7 Ų25.71%0.01415%0.149CC..Hα-helixtrans-58.8-47.5174.9-74.60000112.3V5 A166 G167 V168 A174 I228V5-S170 PolarHBondContact O-OG 3Å; A166-S170 WeakPolarHBondContact O-CB 3.31Å; A166-S170 PolarHBondContact O-N 3.49Å; A166-S170 PolarHBondContact O-OG 2.86Å; A166-S170 VanDerWaalsContact O-OG 3.1Å; G167-S170 PolarHBondContact O-N 2.97Å; V168-S170 VanDerWaalsContact C-N 3.35Å; V168-S170 PolarHBondContact O-N 3.2Å; S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 2.96Å; S170-I228 WeakPolarHBondContact OG-CG2 3.4Å
171W97.9Very high97.1Very high23 Ų2325.4 Ų25.49%0.08715%0.146CC..Hα-helixtrans-66.8-53178.4-176.9-100.3000111.5K7 M10 V11 A142 L143 G167 V168 K173 A174 V175K7-W171 HydrophobicContact CG-CE3 4.23Å; K7-W171 HydrophobicContact CG-CH2 4.47Å; K7-W171 HydrophobicContact CG-CZ3 3.81Å; M10-W171 HydrophobicContact CB-CE3 3.97Å; M10-W171 HydrophobicContact CB-CZ3 4.29Å; M10-W171 HydrophobicContact CE-CB 4.07Å; M10-W171 HydrophobicContact CE-CE3 4.11Å; M10-W171 HydrophobicContact SD-CB 3.68Å; M10-W171 HydrophobicContact SD-CE3 4.16Å; V11-W171 HydrophobicContact CG2-CH2 4.18Å; V11-W171 HydrophobicContact CG2-CZ3 3.92Å; A142-W171 VanDerWaalsContact C-CD1 3.41Å; A142-W171 HydrophobicContact CB-CB 3.9Å; A142-W171 HydrophobicContact CB-CG 4.05Å; L143-W171 VanDerWaalsContact CA-NE1 3.32Å; L143-W171 HydrophobicContact CB-CD2 4.14Å; L143-W171 HydrophobicContact CB-CH2 4.25Å; L143-W171 HydrophobicContact CB-CZ2 3.78Å; L143-W171 HydrophobicContact CD1-CH2 3.53Å; L143-W171 HydrophobicContact CD1-CZ2 3.82Å; L143-W171 HydrophobicContact CD1-CZ3 4Å; L143-W171 HydrophobicContact CG-CH2 3.76Å; L143-W171 HydrophobicContact CG-CZ2 3.47Å; L143-W171 VanDerWaalsContact CG-CZ2 3.47Å; L143-W171 HydrophobicContact CG-CZ3 4.48Å; G167-W171 PolarHBondContact O-N 2.75Å; G167-W171 VanDerWaalsContact O-N 3.07Å; V168-W171 PolarHBondContact O-N 3.02Å; W171-K173 PolarHBondContact O-N 2.89Å; W171-A174 WeakPolarHBondContact O-CB 3.46Å; W171-A174 PolarHBondContact O-N 3.04Å; W171-V175 HydrophobicContact CD2-CG1 4.25Å; W171-V175 HydrophobicContact CH2-CG1 4.31Å; W171-V175 HydrophobicContact CZ2-CG1 3.86Å; W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 3.3Å; W171-V175 VanDerWaalsContact O-N 3.08Å
172V98.2Very high97.3Very high0 Ų025.4 Ų25.40%015%0.145CC..Hα-helixtrans-57.7-48.8-174.9173.60000110.7A142 L146 I155 V168 A174 V175 R176 C179 V181A142-V172 HydrophobicContact CB-CG2 4.21Å; L146-V172 HydrophobicContact CD1-CG2 4.13Å; I155-V172 HydrophobicContact CD1-CG2 3.76Å; V168-V172 HydrophobicContact CG1-CG2 3.98Å; V168-V172 WeakPolarHBondContact O-CB 3.24Å; V168-V172 WeakPolarHBondContact O-CG2 3.02Å; V168-V172 PolarHBondContact O-N 2.86Å; V172-A174 PolarHBondContact O-N 2.83Å; V172-V175 PolarHBondContact O-N 3.46Å; V172-R176 CarbonylContact O-C 3.28Å; V172-R176 WeakPolarHBondContact O-CA 3.31Å; V172-R176 PolarHBondContact O-N 2.99Å; V172-R176 VanDerWaalsContact O-O 3.14Å; V172-C179 HydrophobicContact CG1-CB 3.65Å; V172-V181 HydrophobicContact CB-CG2 3.77Å; V172-V181 HydrophobicContact CG1-CG2 3.65Å; V172-V181 HydrophobicContact CG2-CG2 4Å
173K97.6Very high97.5Very high48 Ų4825.2 Ų25.221%0.20914%0.144CC..Hα-helixtrans-68.1-24-179.3-62.3-53.4-174.1-175.90113A169 W171 C179 K232 E234A169-K173 WeakPolarHBondContact O-CB 3.26Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.21Å; A169-K173 PolarHBondContact O-N 3.32Å; W171-K173 PolarHBondContact O-N 2.89Å; K173-C179 PolarHBondContact NZ-O 2.88Å; K173-K232 WeakPolarHBondContact CE-O 3.37Å; K173-K232 HydrophobicContact CG-CB 4.07Å; K173-K232 WeakPolarHBondContact CG-O 3.5Å; K173-E234 IonicContact NZ-OE1 3.46Å; K173-E234 PolarHBondContact NZ-OE1 2.78Å
174A96.8Very high97.7Very high52 Ų5225.1 Ų25.143%0.4314%0.143SC..Hα-helixtrans-78.7-33176.300000113.7K7 S170 W171 V172K7-A174 HydrophobicContact CB-CB 3.97Å; K7-A174 HydrophobicContact CD-CB 4.34Å; K7-A174 HydrophobicContact CG-CB 4.33Å; S170-A174 WeakPolarHBondContact O-CB 3.46Å; S170-A174 PolarHBondContact O-N 2.96Å; W171-A174 WeakPolarHBondContact O-CB 3.46Å; W171-A174 PolarHBondContact O-N 3.04Å; V172-A174 PolarHBondContact O-N 2.83Å
175V96.9Very high97.8Very high58 Ų5824.7 Ų24.735%0.35214%0.14SC..Hα-helixtrans-110.2-24.4-173.6-53.60000114.3K7 L146 W171 V172K7-V175 HydrophobicContact CD-CG1 4.08Å; L146-V175 HydrophobicContact CD1-CG2 3.52Å; W171-V175 HydrophobicContact CD2-CG1 4.25Å; W171-V175 HydrophobicContact CH2-CG1 4.31Å; W171-V175 HydrophobicContact CZ2-CG1 3.86Å; W171-V175 WeakPolarHBondContact O-CG2 3.48Å; W171-V175 PolarHBondContact O-N 3.3Å; W171-V175 VanDerWaalsContact O-N 3.08Å; V172-V175 PolarHBondContact O-N 3.46Å
176R96.8Very high97.8Very high81 Ų8124.7 Ų24.731%0.30614%0.14SC..  trans-150.269.3-177.3-168.8179.7173.590.910.8109.7L146 G151 L152 V172 S178 C179L146-R176 HydrophobicContact CD1-CB 4.35Å; G151-R176 VanDerWaalsContact CA-NH2 3.27Å; L152-R176 PolarHBondContact O-NE 3.16Å; L152-R176 PolarHBondContact O-NH2 3.33Å; V172-R176 CarbonylContact O-C 3.28Å; V172-R176 WeakPolarHBondContact O-CA 3.31Å; V172-R176 PolarHBondContact O-N 2.99Å; V172-R176 VanDerWaalsContact O-O 3.14Å; R176-S178 PolarHBondContact O-N 3.33Å; R176-S178 VanDerWaalsContact O-N 3.08Å; R176-C179 HydrophobicContact CB-CB 4.37Å; R176-C179 HydrophobicContact CG-CB 3.9Å; R176-C179 WeakPolarHBondContact O-CB 3.03Å; R176-C179 PolarHBondContact O-N 3.41Å
177P96.9Very high97.8Very high91 Ų9132.7 Ų32.759%0.59117%0.171SC*.THydrogen-bonded Turntrans-60-22.2-176.323.1-34.1000114.3C179P177-C179 VanDerWaalsContact C-N 3.27Å; P177-C179 PolarHBondContact O-N 3.23Å
178S97.3Very high97.8Very high92 Ų9233.8 Ų33.864%0.64318%0.183SC*.THydrogen-bonded Turntrans-68.9-20.9173.155.90000114R176R176-S178 PolarHBondContact O-N 3.33Å; R176-S178 VanDerWaalsContact O-N 3.08Å
179C98.5Very high97.7Very high0 Ų033.8 Ų33.80%018%0.183CC..SBendtrans-78.1124.3173.4-176.90000109.6D153 V172 K173 R176 P177D153-C179 WeakPolarHBondContact O-CA 3.36Å; V172-C179 HydrophobicContact CG1-CB 3.65Å; K173-C179 PolarHBondContact NZ-O 2.88Å; R176-C179 HydrophobicContact CB-CB 4.37Å; R176-C179 HydrophobicContact CG-CB 3.9Å; R176-C179 WeakPolarHBondContact O-CB 3.03Å; R176-C179 PolarHBondContact O-N 3.41Å; P177-C179 VanDerWaalsContact C-N 3.27Å; P177-C179 PolarHBondContact O-N 3.23Å
180K98.7Very high97.6Very high64 Ų6437.5 Ų37.528%0.27820%0.201SC..EExtended strand (participates in β ladder)trans-76.5150.5176.6-65.9-168.1-179.2-175.40111D153 A154 I155 F182 E234 I283D153-K180 PolarHBondContact O-N 3.41Å; A154-K180 CarbonylContact C-O 3.32Å; A154-K180 VanDerWaalsContact CA-O 3.24Å; A154-K180 WeakPolarHBondContact CA-O 3.35Å; A154-K180 HydrophobicContact CB-CB 4.19Å; I155-K180 PolarHBondContact N-O 3.35Å; K180-F182 HydrophobicContact CB-CD2 4.05Å; K180-F182 HydrophobicContact CB-CE2 3.48Å; K180-F182 VanDerWaalsContact CB-CE2 3.48Å; K180-F182 HydrophobicContact CB-CZ 4.08Å; K180-F182 HydrophobicContact CD-CE2 3.84Å; K180-F182 HydrophobicContact CD-CZ 3.64Å; K180-F182 HydrophobicContact CG-CE2 4.3Å; K180-E234 WeakPolarHBondContact CA-OE1 3.39Å; K180-E234 HydrophobicContact CB-CG 3.79Å; K180-E234 HydrophobicContact CD-CG 4.23Å; K180-E234 HydrophobicContact CG-CG 4.21Å; K180-I283 HydrophobicContact CD-CD1 3.75Å
181V98.8Very high97.7Very high0 Ų037.4 Ų37.40%020%0.2CC..EExtended strand (participates in β ladder)trans-128.1105.8174.2-1780000108.3I155 V157 V168 A169 V172 C233 E234I155-V181 WeakPolarHBondContact O-CA 3.36Å; V157-V181 HydrophobicContact CG2-CG1 3.92Å; V168-V181 HydrophobicContact CG1-CG1 4.23Å; A169-V181 HydrophobicContact CB-CB 4.37Å; A169-V181 HydrophobicContact CB-CG1 4.1Å; V172-V181 HydrophobicContact CB-CG2 3.77Å; V172-V181 HydrophobicContact CG1-CG2 3.65Å; V172-V181 HydrophobicContact CG2-CG2 4Å; V181-C233 WeakPolarHBondContact O-CA 3.36Å; V181-C233 WeakPolarHBondContact O-CB 3.47Å; V181-E234 PolarHBondContact O-N 3Å
182F98.8Very high97.7Very high3 Ų337.9 Ų37.91%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-99131.1-179.6-63.6-90000109.9A154 I155 F156 V157 K180 E234 E236 F238 L279 I283A154-F182 HydrophobicContact CB-CD2 3.96Å; A154-F182 HydrophobicContact CB-CE2 3.84Å; I155-F182 PolarHBondContact O-N 3.14Å; F156-F182 HydrophobicContact CD1-CB 3.88Å; F156-F182 AromaticContact CD1-CD2 3.96Å; F156-F182 HydrophobicContact CD1-CD2 3.96Å; F156-F182 HydrophobicContact CD1-CG 4.31Å; F156-F182 HydrophobicContact CE1-CB 4.07Å; F156-F182 AromaticContact CE1-CD2 3.59Å; F156-F182 HydrophobicContact CE1-CD2 3.59Å; F156-F182 HydrophobicContact CE1-CE2 4.27Å; F156-F182 HydrophobicContact CE1-CG 4.06Å; V157-F182 PolarHBondContact N-O 3.38Å; K180-F182 HydrophobicContact CB-CD2 4.05Å; K180-F182 HydrophobicContact CB-CE2 3.48Å; K180-F182 VanDerWaalsContact CB-CE2 3.48Å; K180-F182 HydrophobicContact CB-CZ 4.08Å; K180-F182 HydrophobicContact CD-CE2 3.84Å; K180-F182 HydrophobicContact CD-CZ 3.64Å; K180-F182 HydrophobicContact CG-CE2 4.3Å; F182-E234 HydrophobicContact CD1-CB 3.62Å; F182-E234 HydrophobicContact CD1-CG 3.83Å; F182-E234 HydrophobicContact CD2-CG 4.29Å; F182-E234 HydrophobicContact CE1-CB 3.69Å; F182-E234 HydrophobicContact CE1-CG 3.72Å; F182-E234 HydrophobicContact CE2-CG 4.2Å; F182-E234 HydrophobicContact CG-CB 4.28Å; F182-E234 HydrophobicContact CG-CG 4.13Å; F182-E234 HydrophobicContact CZ-CB 4.4Å; F182-E234 HydrophobicContact CZ-CG 3.92Å; F182-E236 HydrophobicContact CD1-CB 4.25Å; F182-E236 WeakPolarHBondContact CD1-O 3.42Å; F182-E236 HydrophobicContact CE1-CB 4.09Å; F182-E236 HydrophobicContact CE1-CG 4.43Å; F182-F238 HydrophobicContact CB-CD2 3.8Å; F182-F238 HydrophobicContact CB-CE2 3.73Å; F182-F238 HydrophobicContact CD1-CD2 4.29Å; F182-F238 AromaticContact CD1-CE2 3.61Å; F182-F238 HydrophobicContact CD1-CE2 3.61Å; F182-F238 HydrophobicContact CD2-CE2 4.32Å; F182-F238 HydrophobicContact CE1-CE2 4.22Å; F182-F238 HydrophobicContact CG-CD2 4.24Å; F182-F238 AromaticContact CG-CE2 3.65Å; F182-F238 HydrophobicContact CG-CE2 3.65Å; F182-L279 HydrophobicContact CE1-CD2 4.33Å; F182-L279 HydrophobicContact CZ-CD2 3.95Å; F182-I283 HydrophobicContact CE2-CD1 4.28Å; F182-I283 HydrophobicContact CZ-CD1 4.14Å
183C98.7Very high97.6Very high0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-74.7142.9169.3-71.60000109.9V157 T159 L191 V237 F238V157-C183 CarbonylContact O-C 3.56Å; T159-C183 VanDerWaalsContact OG1-CB 3.31Å; T159-C183 WeakPolarHBondContact OG1-CB 3.23Å; T159-C183 PolarHBondContact OG1-SG 3.05Å; T159-C183 VanDerWaalsContact OG1-SG 3.33Å; C183-L191 HydrophobicContact CB-CD2 3.67Å; C183-V237 HydrophobicContact CB-CG1 4.14Å; C183-V237 HydrophobicContact CB-CG2 4.23Å; C183-V237 WeakPolarHBondContact O-CG1 3.3Å; C183-F238 PolarHBondContact O-N 3.19Å
184V98.7Very high97.6Very high0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-119.8125.3172.6-174.50000108.8F156 V157 Q158 T159 F238 V240 V266 A270F156-V184 HydrophobicContact CB-CG2 3.88Å; F156-V184 HydrophobicContact CG-CG2 4.37Å; V157-V184 PolarHBondContact O-N 2.8Å; Q158-V184 WeakPolarHBondContact CA-O 3.24Å; T159-V184 PolarHBondContact N-O 3.35Å; V184-F238 CarbonylContact C-O 3.54Å; V184-F238 WeakPolarHBondContact CA-O 3.17Å; V184-F238 HydrophobicContact CG1-CB 4.34Å; V184-F238 HydrophobicContact CG2-CB 4.21Å; V184-V240 HydrophobicContact CG1-CG1 4.33Å; V184-V240 HydrophobicContact CG1-CG2 4.19Å; V184-V266 HydrophobicContact CB-CG2 4.35Å; V184-V266 HydrophobicContact CG1-CB 4.04Å; V184-V266 HydrophobicContact CG1-CG2 3.97Å; V184-V266 WeakPolarHBondContact CG1-O 3.33Å; V184-A270 HydrophobicContact CB-CB 4.35Å; V184-A270 HydrophobicContact CG1-CB 3.7Å; V184-A270 HydrophobicContact CG2-CB 3.69Å
185E97.8Very high97.7Very high4 Ų438.2 Ų38.22%0.01920%0.2CC..EExtended strand (participates in β ladder)trans-124.9150.1-178.868.4174.6176.500113.4K189 E190 L191 A192 V237 F238 T239 V240E185-K189 HydrophobicContact CB-CB 4.04Å; E185-K189 HydrophobicContact CB-CD 3.68Å; E185-K189 HydrophobicContact CB-CG 4.3Å; E185-K189 HydrophobicContact CG-CB 4.42Å; E185-K189 WeakPolarHBondContact OE2-CB 3.29Å; E185-K189 VanDerWaalsContact OE2-CG 3.28Å; E185-K189 WeakPolarHBondContact OE2-CG 3.31Å; E185-E190 PolarHBondContact OE2-N 3.36Å; E185-L191 WeakPolarHBondContact OE2-CA 3.24Å; E185-L191 WeakPolarHBondContact OE2-CB 3.37Å; E185-L191 PolarHBondContact OE2-N 3.07Å; E185-A192 PolarHBondContact OE1-N 3.39Å; E185-V237 HydrophobicContact CB-CG1 4.33Å; E185-V237 HydrophobicContact CG-CG1 3.74Å; E185-F238 PolarHBondContact N-O 3.4Å; E185-T239 HydrophobicContact CG-CG2 4.11Å; E185-T239 CarbonylContact O-C 3.58Å; E185-T239 WeakPolarHBondContact O-CA 3.21Å; E185-T239 PolarHBondContact OE1-OG1 2.86Å; E185-T239 VanDerWaalsContact OE1-OG1 3.07Å; E185-V240 WeakPolarHBondContact O-CG2 3.47Å; E185-V240 PolarHBondContact O-N 3.35Å
186P97.5Very high97.7Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-69.3148.8162.630.7-34000110.8K189 V209 T211 L216 V240P186-K189 HydrophobicContact CG-CB 4.37Å; P186-K189 VanDerWaalsContact O-CB 3.3Å; P186-K189 WeakPolarHBondContact O-CB 3.39Å; P186-K189 PolarHBondContact O-N 3.25Å; P186-V209 HydrophobicContact CB-CG1 4.39Å; P186-V209 HydrophobicContact CG-CG1 4.05Å; P186-T211 HydrophobicContact CB-CG2 3.96Å; P186-T211 HydrophobicContact CG-CG2 4.01Å; P186-L216 HydrophobicContact CG-CB 3.93Å; P186-L216 HydrophobicContact CG-CD1 4.49Å; P186-V240 CarbonylContact C-O 3.37Å; P186-V240 WeakPolarHBondContact CA-O 3.49Å
187Y97.8Very high97.6Very high168 Ų16840.1 Ų40.166%0.65922%0.224SC*.THydrogen-bonded Turntrans-50.6139.5171.9-177.7-95.1000112.2K189 V209 T239 V240Y187-K189 VanDerWaalsContact C-N 3.32Å; Y187-V209 WeakPolarHBondContact O-CG1 3.3Å; Y187-T239 HydrophobicContact CD2-CG2 4.25Å; Y187-V240 PolarHBondContact N-O 2.75Å
188G95.9Very high97.6Very high24 Ų2437.2 Ų37.225%0.24721%0.211CC..THydrogen-bonded Turntrans83.4-1.1-177.300000115.2Q219G188-Q219 PolarHBondContact O-NE2 2.9Å
189K96.4Very high97.6Very high0 Ų036.5 Ų36.50%020%0.203CC..  trans-73.5-32.5171.8179.1179.6176.862.90112.7T159 G160 E185 P186 Y187 L191 W202 V209 V218 Q219T159-K189 WeakPolarHBondContact O-CD 3.3Å; T159-K189 WeakPolarHBondContact O-CE 3.38Å; G160-K189 VanDerWaalsContact O-CE 3.3Å; G160-K189 WeakPolarHBondContact O-CE 3.38Å; G160-K189 PolarHBondContact O-NZ 3.39Å; E185-K189 HydrophobicContact CB-CB 4.04Å; E185-K189 HydrophobicContact CB-CD 3.68Å; E185-K189 HydrophobicContact CB-CG 4.3Å; E185-K189 HydrophobicContact CG-CB 4.42Å; E185-K189 WeakPolarHBondContact OE2-CB 3.29Å; E185-K189 VanDerWaalsContact OE2-CG 3.28Å; E185-K189 WeakPolarHBondContact OE2-CG 3.31Å; P186-K189 HydrophobicContact CG-CB 4.37Å; P186-K189 VanDerWaalsContact O-CB 3.3Å; P186-K189 WeakPolarHBondContact O-CB 3.39Å; P186-K189 PolarHBondContact O-N 3.25Å; Y187-K189 VanDerWaalsContact C-N 3.32Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-L191 HydrophobicContact CD-CB 4.45Å; K189-L191 PolarHBondContact O-N 3.42Å; K189-W202 PolarHBondContact O-NE1 2.9Å; K189-V209 HydrophobicContact CB-CG2 3.99Å; K189-V209 HydrophobicContact CG-CG2 4.41Å; K189-V218 PolarHBondContact NZ-O 3.02Å; K189-Q219 WeakPolarHBondContact CG-O 3.46Å; K189-Q219 PolarHBondContact NZ-O 3.35Å
190E96.7Very high97.4Very high78 Ų7840.3 Ų40.336%0.36423%0.227SC..  trans64.525.2176.4-53.9-65.2129.100115.5E185 S194E185-E190 PolarHBondContact OE2-N 3.36Å; E190-S194 PolarHBondContact O-N 2.93Å; E190-S194 PolarHBondContact O-OG 3.48Å
191L98.2Very high97.3Very high0 Ų039 Ų390%023%0.226CC..Hα-helixtrans-67.6-41.5171.3-178.261.5000111.2T159 C183 E185 K189 K193 S194 L195 W202 L221 V237T159-L191 HydrophobicContact CG2-CD2 3.58Å; C183-L191 HydrophobicContact CB-CD2 3.67Å; E185-L191 WeakPolarHBondContact OE2-CA 3.24Å; E185-L191 WeakPolarHBondContact OE2-CB 3.37Å; E185-L191 PolarHBondContact OE2-N 3.07Å; K189-L191 VanDerWaalsContact C-N 3.33Å; K189-L191 HydrophobicContact CD-CB 4.45Å; K189-L191 PolarHBondContact O-N 3.42Å; L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.8Å; L191-S194 PolarHBondContact O-N 3.19Å; L191-L195 HydrophobicContact CD1-CD1 4.33Å; L191-L195 HydrophobicContact CD1-CD2 3.99Å; L191-L195 HydrophobicContact CD1-CG 3.89Å; L191-L195 HydrophobicContact CG-CD1 4.18Å; L191-L195 HydrophobicContact CG-CG 4.07Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.45Å; L191-W202 HydrophobicContact CB-CZ2 4.35Å; L191-W202 HydrophobicContact CD1-CH2 3.87Å; L191-W202 HydrophobicContact CD1-CZ2 4.03Å; L191-L221 HydrophobicContact CD1-CD1 3.7Å; L191-L221 HydrophobicContact CD1-CD2 4.34Å; L191-L221 HydrophobicContact CD1-CG 3.91Å; L191-V237 HydrophobicContact CD2-CG1 4.39Å; L191-V237 HydrophobicContact CD2-CG2 4.46Å; L191-V237 HydrophobicContact CG-CG2 4.26Å
192A97.8Very high97.2Very high32 Ų3240.5 Ų40.526%0.26423%0.232SC..Hα-helixtrans-52.5-47.4178.500000111.3E185 S196 V237E185-A192 PolarHBondContact OE1-N 3.39Å; A192-S196 WeakPolarHBondContact O-CB 3.37Å; A192-S196 PolarHBondContact O-N 2.92Å; A192-S196 PolarHBondContact O-OG 3.23Å; A192-V237 HydrophobicContact CB-CB 3.84Å; A192-V237 HydrophobicContact CB-CG1 4.38Å; A192-V237 HydrophobicContact CB-CG2 4.29Å
193K97.3Very high96.9Very high106 Ų10643.4 Ų43.446%0.46125%0.251SS..Hα-helixtrans-60.3-50.1175-177.3179.8177.9-177.70111.6L191 L195 S196 V197 C201L191-K193 VanDerWaalsContact C-N 3.26Å; L191-K193 PolarHBondContact O-N 2.8Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.39Å; K193-S196 WeakPolarHBondContact CA-OG 3.5Å; K193-S196 PolarHBondContact O-N 2.94Å; K193-S196 PolarHBondContact O-OG 3.38Å; K193-V197 WeakPolarHBondContact O-CG2 3.18Å; K193-V197 PolarHBondContact O-N 2.91Å; K193-V197 VanDerWaalsContact O-N 3.09Å; K193-C201 HydrophobicContact CD-CB 4.25Å; K193-C201 HydrophobicContact CG-CB 4.2Å
194S97.8Very high96.5Very high0 Ų050.3 Ų50.30%029%0.288CS..Hα-helixtrans-62.5-37.6-177.6-57.60000113.1E190 L191 G198 V199 C201E190-S194 PolarHBondContact O-N 2.93Å; E190-S194 PolarHBondContact O-OG 3.48Å; L191-S194 PolarHBondContact O-N 3.19Å; S194-G198 PolarHBondContact O-N 3.39Å; S194-G198 VanDerWaalsContact O-N 3.08Å; S194-V199 WeakPolarHBondContact CA-O 3.38Å; S194-V199 PolarHBondContact O-N 3.01Å; S194-V199 VanDerWaalsContact O-O 3.1Å; S194-C201 PolarHBondContact OG-N 2.92Å; S194-C201 VanDerWaalsContact OG-N 3.11Å
195L97.9Very high96.1Very high2 Ų255.3 Ų55.31%0.0132%0.32CS..Hα-helixtrans-70.5-44174.5-62.5-167.3000111.4L191 K193 V197 G198 F226 V229 L230 Q235 V237L191-L195 HydrophobicContact CD1-CD1 4.33Å; L191-L195 HydrophobicContact CD1-CD2 3.99Å; L191-L195 HydrophobicContact CD1-CG 3.89Å; L191-L195 HydrophobicContact CG-CD1 4.18Å; L191-L195 HydrophobicContact CG-CG 4.07Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.45Å; K193-L195 VanDerWaalsContact C-N 3.34Å; K193-L195 PolarHBondContact O-N 3.39Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 PolarHBondContact O-N 3.46Å; L195-G198 PolarHBondContact O-N 3.26Å; L195-F226 HydrophobicContact CD2-CE2 4.14Å; L195-V229 HydrophobicContact CD1-CG1 4.13Å; L195-V229 HydrophobicContact CD2-CG1 4.12Å; L195-L230 HydrophobicContact CD2-CB 4.29Å; L195-L230 HydrophobicContact CD2-CD1 4.04Å; L195-Q235 PolarHBondContact O-OE1 2.98Å; L195-V237 HydrophobicContact CD1-CG2 3.66Å; L195-V237 HydrophobicContact CG-CG2 4.4Å
196S96.7Very high95.5Very high89 Ų8957.2 Ų57.262%0.62233%0.333SS*.Hα-helixtrans-59.5-35.5179.6720000114A192 K193A192-S196 WeakPolarHBondContact O-CB 3.37Å; A192-S196 PolarHBondContact O-N 2.92Å; A192-S196 PolarHBondContact O-OG 3.23Å; K193-S196 WeakPolarHBondContact CA-OG 3.5Å; K193-S196 PolarHBondContact O-N 2.94Å; K193-S196 PolarHBondContact O-OG 3.38Å
197V96.4Very high95.2Very high89 Ų8963.3 Ų63.354%0.53936%0.362SS..Hα-helixtrans-86.6-18.5176.8-173.20000111.7K193 L195 V199K193-V197 WeakPolarHBondContact O-CG2 3.18Å; K193-V197 PolarHBondContact O-N 2.91Å; K193-V197 VanDerWaalsContact O-N 3.09Å; L195-V197 VanDerWaalsContact C-N 3.29Å; L195-V197 PolarHBondContact O-N 3.46Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V197-V199 HydrophobicContact CB-CG2 4.43Å; V197-V199 HydrophobicContact CG1-CG2 3.81Å
198G96.7Very high94.8Very high30 Ų3060.6 Ų60.631%0.30936%0.362SS..THydrogen-bonded Turntrans78.29.6-177.500000115S194 L195 L230S194-G198 PolarHBondContact O-N 3.39Å; S194-G198 VanDerWaalsContact O-N 3.08Å; L195-G198 PolarHBondContact O-N 3.26Å; G198-L230 WeakPolarHBondContact O-CD2 2.94Å
199V96.2Very high94.7Very high78 Ų7859.7 Ų59.747%0.47335%0.352SS..SBendtrans-139.2152.7178.8-57.70000111.4S194 V197 C201S194-V199 WeakPolarHBondContact CA-O 3.38Å; S194-V199 PolarHBondContact O-N 3.01Å; S194-V199 VanDerWaalsContact O-O 3.1Å; V197-V199 VanDerWaalsContact C-N 3.31Å; V197-V199 HydrophobicContact CB-CG2 4.43Å; V197-V199 HydrophobicContact CG1-CG2 3.81Å; V199-C201 PolarHBondContact O-N 3.36Å; V199-C201 PolarHBondContact O-SG 2.71Å
200P95.4Very high94.6Very high79 Ų7967 Ų6751%0.51339%0.391SS..  trans-59.2112.3175.3-23.535.3000111.3W202 F226P200-W202 HydrophobicContact CB-CE3 3.77Å; P200-W202 HydrophobicContact CB-CZ3 3.88Å; P200-F226 HydrophobicContact CG-CD1 3.85Å; P200-F226 HydrophobicContact CG-CD2 4.4Å; P200-F226 HydrophobicContact CG-CE1 3.75Å; P200-F226 HydrophobicContact CG-CE2 4.32Å; P200-F226 HydrophobicContact CG-CG 4.19Å; P200-F226 HydrophobicContact CG-CZ 4Å
201C95.8Very high94.5Very high38 Ų3863.4 Ų63.426%0.25737%0.374SS..  trans-101.213.9-175.7-70.50000113.4K193 S194 V199K193-C201 HydrophobicContact CD-CB 4.25Å; K193-C201 HydrophobicContact CG-CB 4.2Å; S194-C201 PolarHBondContact OG-N 2.92Å; S194-C201 VanDerWaalsContact OG-N 3.11Å; V199-C201 PolarHBondContact O-N 3.36Å; V199-C201 PolarHBondContact O-SG 2.71Å
202W95.8Very high94.3Very high30 Ų3065.8 Ų65.811%0.11439%0.387CS..  trans-78.6150.6179.6-63.6-70.8000112.7K189 L191 P200 Q219 R220 L221 F226K189-W202 PolarHBondContact O-NE1 2.9Å; L191-W202 HydrophobicContact CB-CZ2 4.35Å; L191-W202 HydrophobicContact CD1-CH2 3.87Å; L191-W202 HydrophobicContact CD1-CZ2 4.03Å; P200-W202 HydrophobicContact CB-CE3 3.77Å; P200-W202 HydrophobicContact CB-CZ3 3.88Å; W202-Q219 HydrophobicContact CG-CG 4.5Å; W202-Q219 PolarHBondContact NE1-O 3.14Å; W202-Q219 VanDerWaalsContact NE1-O 3.16Å; W202-R220 HydrophobicContact CB-CB 4.3Å; W202-R220 HydrophobicContact CD2-CB 3.68Å; W202-R220 HydrophobicContact CE3-CB 3.7Å; W202-R220 HydrophobicContact CG-CB 3.94Å; W202-R220 HydrophobicContact CZ3-CB 4.35Å; W202-L221 HydrophobicContact CH2-CB 4.29Å; W202-L221 HydrophobicContact CH2-CG 3.95Å; W202-F226 HydrophobicContact CH2-CD2 4.03Å; W202-F226 HydrophobicContact CH2-CE2 4.09Å; W202-F226 AromaticContact CZ3-CD2 3.88Å; W202-F226 HydrophobicContact CZ3-CD2 3.88Å; W202-F226 AromaticContact CZ3-CE2 3.99Å; W202-F226 HydrophobicContact CZ3-CE2 3.99Å
203P93.4Very high94.1Very high64 Ų6464.3 Ų64.342%0.41637%0.374SS..  trans-62.5157170.628-34.7000111.6P205 P206 Q207P203-P205 CarbonylContact C-O 3.38Å; P203-P205 CarbonylContact O-C 3.57Å; P203-P206 WeakPolarHBondContact O-CA 3.32Å; P203-P206 VanDerWaalsContact O-N 3.16Å; P203-Q207 HydrophobicContact CG-CG 4.13Å
204N90.8Very high93.6Very high146 Ų14660.7 Ų60.778%0.78136%0.36SS*.SBendtrans-118.1115.1170.6-171.621.5000109.8
205P88.9Confident93.2Very high104 Ų10460.8 Ų60.868%0.67536%0.361SS*.SBendcis-71.6155.11.331.6-36000112.9P203P203-P205 CarbonylContact C-O 3.38Å; P203-P205 CarbonylContact O-C 3.57Å
206P86.6Confident93Very high45 Ų4560.7 Ų60.729%0.29236%0.36SS..PPolyproline II helixtrans-65.1149175.529.3-36.8000111P203 R220P203-P206 WeakPolarHBondContact O-CA 3.32Å; P203-P206 VanDerWaalsContact O-N 3.16Å; P206-R220 HydrophobicContact CB-CB 4.34Å; P206-R220 HydrophobicContact CB-CG 4.01Å; P206-R220 HydrophobicContact CG-CG 4.13Å
207Q90.5Very high92.7Very high128 Ų12861.4 Ų61.460%0.59835%0.349SS*.PPolyproline II helixtrans-84.2172.3174.2-62.5176.6-32.700110.9P203 Q219P203-Q207 HydrophobicContact CG-CG 4.13Å; Q207-Q219 WeakPolarHBondContact O-CB 3.41Å
208V89.9Confident92.5Very high111 Ų11158.8 Ų58.867%0.67333%0.333SS*.BIsolated β-bridgetrans-96.9127.9169.1-178.40000107.3N210 R217V208-N210 PolarHBondContact O-N 2.91Å; V208-R217 HydrophobicContact CG1-CB 3.86Å; V208-R217 HydrophobicContact CG1-CG 4.42Å
209V93.2Very high92.3Very high4 Ų457.8 Ų57.82%0.02432%0.321CS..PPolyproline II helixtrans-66.3126.1177.4-171.70000108.9P186 Y187 K189 T211 R217 Q219P186-V209 HydrophobicContact CB-CG1 4.39Å; P186-V209 HydrophobicContact CG-CG1 4.05Å; Y187-V209 WeakPolarHBondContact O-CG1 3.3Å; K189-V209 HydrophobicContact CB-CG2 3.99Å; K189-V209 HydrophobicContact CG-CG2 4.41Å; V209-T211 HydrophobicContact CB-CG2 4.23Å; V209-T211 HydrophobicContact CG1-CG2 3.95Å; V209-T211 PolarHBondContact O-N 3.49Å; V209-T211 VanDerWaalsContact O-N 3.13Å; V209-R217 PolarHBondContact N-O 3.25Å; V209-R217 WeakPolarHBondContact O-CG 3.4Å; V209-Q219 HydrophobicContact CG2-CB 3.8Å; V209-Q219 HydrophobicContact CG2-CG 3.99Å
210N94.7Very high92.3Very high153 Ų15359.1 Ų59.182%0.81832%0.317SS*.  trans-81.590.4176.4-174.331.2000109.9V208V208-N210 PolarHBondContact O-N 2.91Å
211T94.6Very high92.3Very high3 Ų355.6 Ų55.62%0.01829%0.294CS..SBendtrans-145.5152.9-178.51760000111.6P186 V209 A213 R217 D242P186-T211 HydrophobicContact CB-CG2 3.96Å; P186-T211 HydrophobicContact CG-CG2 4.01Å; V209-T211 HydrophobicContact CB-CG2 4.23Å; V209-T211 HydrophobicContact CG1-CG2 3.95Å; V209-T211 PolarHBondContact O-N 3.49Å; V209-T211 VanDerWaalsContact O-N 3.13Å; T211-A213 HydrophobicContact CG2-CB 4.19Å; T211-A213 PolarHBondContact O-N 3.1Å; T211-A213 PolarHBondContact OG1-N 3.27Å; T211-R217 HydrophobicContact CG2-CG 3.96Å; T211-R217 PolarHBondContact O-NE 3.45Å; T211-R217 PolarHBondContact O-NH2 2.89Å; T211-D242 WeakPolarHBondContact CA-OD2 2.95Å; T211-D242 WeakPolarHBondContact CB-OD1 3.29Å; T211-D242 PolarHBondContact OG1-OD1 2.98Å
212I93.7Very high92.2Very high51 Ų5154 Ų5426%0.26229%0.285SS..SBendtrans-65.4-22.8166.765.9167.1000113D214 D242 I245 V246 P262 P301I212-D214 PolarHBondContact O-N 2.98Å; I212-D242 HydrophobicContact CD1-CB 4.37Å; I212-D242 HydrophobicContact CG1-CB 4.06Å; I212-D242 HydrophobicContact CG2-CB 4.47Å; I212-D242 PolarHBondContact N-OD1 3.35Å; I212-D242 PolarHBondContact N-OD2 2.73Å; I212-I245 HydrophobicContact CD1-CB 4.22Å; I212-I245 HydrophobicContact CD1-CG2 3.95Å; I212-I245 HydrophobicContact CG1-CG2 4.26Å; I212-V246 HydrophobicContact CD1-CG2 3.4Å; I212-P262 HydrophobicContact CB-CB 4.46Å; I212-P262 HydrophobicContact CB-CG 4.45Å; I212-P262 HydrophobicContact CD1-CB 3.95Å; I212-P262 HydrophobicContact CD1-CG 4.26Å; I212-P262 HydrophobicContact CG1-CB 3.89Å; I212-P262 HydrophobicContact CG1-CG 4.33Å; I212-P262 WeakPolarHBondContact O-CG 3.3Å; I212-P301 HydrophobicContact CD1-CB 4.45Å; I212-P301 HydrophobicContact CD1-CG 4.13Å
213A92.9Very high92.1Very high0 Ų059.2 Ų59.20%031%0.31CS..  trans-73.974.4174.400000110.7T211 G215 L216 I245 P262 S263 V266T211-A213 HydrophobicContact CG2-CB 4.19Å; T211-A213 PolarHBondContact O-N 3.1Å; T211-A213 PolarHBondContact OG1-N 3.27Å; A213-G215 VanDerWaalsContact C-N 3.25Å; A213-G215 PolarHBondContact O-N 3.44Å; A213-L216 HydrophobicContact CB-CB 4.2Å; A213-L216 HydrophobicContact CB-CD1 3.92Å; A213-L216 HydrophobicContact CB-CG 4.13Å; A213-L216 WeakPolarHBondContact O-CA 3.35Å; A213-L216 PolarHBondContact O-N 3.17Å; A213-I245 HydrophobicContact CB-CD1 4.11Å; A213-P262 HydrophobicContact CB-CB 4.39Å; A213-S263 VanDerWaalsContact C-OG 3.26Å; A213-S263 WeakPolarHBondContact CA-OG 3.32Å; A213-V266 HydrophobicContact CB-CG1 4.3Å
214D87.9Confident92.2Very high31 Ų3159.2 Ų59.217%0.16631%0.305CS..G310 helixtrans-50.9-43.8-174.770-22.1000112.3S58 S59 K89 I212 L216 R217 S263S58-D214 WeakPolarHBondContact CB-O 3.23Å; S58-D214 VanDerWaalsContact OG-C 3.31Å; S58-D214 PolarHBondContact OG-O 2.95Å; S59-D214 WeakPolarHBondContact CA-OD2 3.27Å; S59-D214 WeakPolarHBondContact CB-OD2 3.47Å; K89-D214 IonicContact NZ-OD2 3.22Å; K89-D214 PolarHBondContact NZ-OD2 3.06Å; I212-D214 PolarHBondContact O-N 2.98Å; D214-L216 PolarHBondContact O-N 2.92Å; D214-L216 VanDerWaalsContact O-N 3.08Å; D214-R217 WeakPolarHBondContact O-CB 3.38Å; D214-R217 WeakPolarHBondContact O-CG 3.34Å; D214-R217 PolarHBondContact O-N 3.31Å; D214-S263 PolarHBondContact OD1-OG 3.34Å
215G88.7Confident92.5Very high1 Ų152.3 Ų52.31%0.0127%0.267CS..G310 helixtrans-59.6-12.8175.400000116T56 S58 A213 S263T56-G215 PolarHBondContact OG1-O 3.43Å; T56-G215 VanDerWaalsContact OG1-O 3.08Å; S58-G215 VanDerWaalsContact OG-CA 3.24Å; S58-G215 WeakPolarHBondContact OG-CA 3.24Å; A213-G215 VanDerWaalsContact C-N 3.25Å; A213-G215 PolarHBondContact O-N 3.44Å; G215-S263 WeakPolarHBondContact CA-OG 3.4Å; G215-S263 PolarHBondContact N-OG 2.88Å
216L93.2Very high92.9Very high1 Ų148.2 Ų48.21%0.00524%0.239CC..G310 helixtrans-115.69.2-177.1-51.5-179.3000113.3Q158 P186 A213 D214 V218 V266Q158-L216 HydrophobicContact CB-CD1 4.14Å; Q158-L216 HydrophobicContact CB-CD2 4.04Å; Q158-L216 HydrophobicContact CG-CD2 4.28Å; P186-L216 HydrophobicContact CG-CB 3.93Å; P186-L216 HydrophobicContact CG-CD1 4.49Å; A213-L216 HydrophobicContact CB-CB 4.2Å; A213-L216 HydrophobicContact CB-CD1 3.92Å; A213-L216 HydrophobicContact CB-CG 4.13Å; A213-L216 WeakPolarHBondContact O-CA 3.35Å; A213-L216 PolarHBondContact O-N 3.17Å; D214-L216 PolarHBondContact O-N 2.92Å; D214-L216 VanDerWaalsContact O-N 3.08Å; L216-V218 PolarHBondContact O-N 3.11Å; L216-V266 HydrophobicContact CD1-CB 4.41Å; L216-V266 HydrophobicContact CD1-CG1 3.71Å; L216-V266 HydrophobicContact CD1-CG2 3.95Å
217R92Very high93.4Very high103 Ų10348.2 Ų48.239%0.38924%0.239SC..  trans-68.4-12.1-177.9-71.3-175.8175173.4-2.2115.6V208 V209 T211 D214 Q219V208-R217 HydrophobicContact CG1-CB 3.86Å; V208-R217 HydrophobicContact CG1-CG 4.42Å; V209-R217 PolarHBondContact N-O 3.25Å; V209-R217 WeakPolarHBondContact O-CG 3.4Å; T211-R217 HydrophobicContact CG2-CG 3.96Å; T211-R217 PolarHBondContact O-NE 3.45Å; T211-R217 PolarHBondContact O-NH2 2.89Å; D214-R217 WeakPolarHBondContact O-CB 3.38Å; D214-R217 WeakPolarHBondContact O-CG 3.34Å; D214-R217 PolarHBondContact O-N 3.31Å; R217-Q219 PolarHBondContact O-N 3.47Å
218V90.7Very high93.7Very high34 Ų3442.1 Ų42.121%0.20621%0.211CC..BIsolated β-bridgetrans-69.7111.6172-174.20000107.9K189 L216 R220K189-V218 PolarHBondContact NZ-O 3.02Å; L216-V218 PolarHBondContact O-N 3.11Å; V218-R220 VanDerWaalsContact CG1-O 3.32Å; V218-R220 WeakPolarHBondContact CG1-O 3.3Å
219Q93.8Very high94.1Very high10 Ų1036.8 Ų36.85%0.04718%0.179CC..  trans-70.2-49.3-174.9-168.6-173.442.500112G188 K189 W202 Q207 V209 R217G188-Q219 PolarHBondContact O-NE2 2.9Å; K189-Q219 WeakPolarHBondContact CG-O 3.46Å; K189-Q219 PolarHBondContact NZ-O 3.35Å; W202-Q219 HydrophobicContact CG-CG 4.5Å; W202-Q219 PolarHBondContact NE1-O 3.14Å; W202-Q219 VanDerWaalsContact NE1-O 3.16Å; Q207-Q219 WeakPolarHBondContact O-CB 3.41Å; V209-Q219 HydrophobicContact CG2-CB 3.8Å; V209-Q219 HydrophobicContact CG2-CG 3.99Å; R217-Q219 PolarHBondContact O-N 3.47Å
220R94.8Very high94.3Very high105 Ų10538.7 Ų38.740%0.39619%0.188SC..SBendtrans-86.5153.3179.670.1175-174.4-168.25.3113.4W202 P206 V218W202-R220 HydrophobicContact CB-CB 4.3Å; W202-R220 HydrophobicContact CD2-CB 3.68Å; W202-R220 HydrophobicContact CE3-CB 3.7Å; W202-R220 HydrophobicContact CG-CB 3.94Å; W202-R220 HydrophobicContact CZ3-CB 4.35Å; P206-R220 HydrophobicContact CB-CB 4.34Å; P206-R220 HydrophobicContact CB-CG 4.01Å; P206-R220 HydrophobicContact CG-CG 4.13Å; V218-R220 VanDerWaalsContact CG1-O 3.32Å; V218-R220 WeakPolarHBondContact CG1-O 3.3Å
221L95.4Very high94.4Very high5 Ų535 Ų353%0.02618%0.179CC..PPolyproline II helixtrans-72.9159.8160.3-60.1-162.6000110T159 G160 L191 W202 F226 V229T159-L221 HydrophobicContact CG2-CD2 3.64Å; G160-L221 WeakPolarHBondContact O-CD2 3.42Å; L191-L221 HydrophobicContact CD1-CD1 3.7Å; L191-L221 HydrophobicContact CD1-CD2 4.34Å; L191-L221 HydrophobicContact CD1-CG 3.91Å; W202-L221 HydrophobicContact CH2-CB 4.29Å; W202-L221 HydrophobicContact CH2-CG 3.95Å; L221-F226 HydrophobicContact CB-CB 3.89Å; L221-F226 HydrophobicContact CB-CD2 4.2Å; L221-F226 HydrophobicContact CD1-CB 4.37Å; L221-F226 HydrophobicContact CD1-CD2 4.02Å; L221-F226 HydrophobicContact CG-CD2 4.33Å; L221-V229 HydrophobicContact CD1-CB 3.77Å; L221-V229 HydrophobicContact CD1-CG1 3.88Å; L221-V229 HydrophobicContact CD1-CG2 3.85Å
222G93.9Very high94.6Very high6 Ų637.1 Ų37.16%0.06219%0.188CC..PPolyproline II helixtrans-77.6166.3170.600000113.2D130 G161 Q224 T225 F226D130-G222 VanDerWaalsContact CG-C 3.48Å; D130-G222 WeakPolarHBondContact OD1-CA 3.49Å; D130-G222 WeakPolarHBondContact OD2-CA 3.47Å; G161-G222 PolarHBondContact O-N 3.23Å; G222-Q224 VanDerWaalsContact C-N 3.32Å; G222-Q224 PolarHBondContact O-N 3.48Å; G222-T225 WeakPolarHBondContact CA-OG1 3.34Å; G222-T225 PolarHBondContact N-OG1 3.36Å; G222-T225 PolarHBondContact O-N 3.36Å; G222-T225 PolarHBondContact O-OG1 3.37Å; G222-F226 WeakPolarHBondContact O-CB 3.06Å; G222-F226 PolarHBondContact O-N 2.66Å
223E94.8Very high94.8Very high139 Ų13935 Ų3565%0.6518%0.178SC*.THydrogen-bonded Turntrans-64.5-32.8-176-60.7-61154.700112.9D130 P227D130-E223 VanDerWaalsContact CG-N 3.27Å; D130-E223 PolarHBondContact OD1-N 3.34Å; D130-E223 VanDerWaalsContact OD1-N 3.1Å; D130-E223 PolarHBondContact OD2-N 3.03Å; E223-P227 WeakPolarHBondContact O-CD 3.48Å; E223-P227 WeakPolarHBondContact O-CG 3.46Å
224Q95.7Very high95Very high64 Ų6437.1 Ų37.130%0.29919%0.187SC..THydrogen-bonded Turntrans-83.1-37174.7-55.3-676.600111.4D130 L132 I135 G222 I228D130-Q224 WeakPolarHBondContact OD1-CA 3.37Å; D130-Q224 VanDerWaalsContact OD1-CB 3.27Å; D130-Q224 WeakPolarHBondContact OD1-CB 3.46Å; D130-Q224 PolarHBondContact OD1-N 2.84Å; L132-Q224 HydrophobicContact CD2-CB 4.23Å; L132-Q224 HydrophobicContact CD2-CG 4.38Å; I135-Q224 HydrophobicContact CD1-CB 4.02Å; G222-Q224 VanDerWaalsContact C-N 3.32Å; G222-Q224 PolarHBondContact O-N 3.48Å; Q224-I228 WeakPolarHBondContact O-CD1 3.34Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å
225T96.2Very high95.5Very high0 Ų039.9 Ų39.90%020%0.199CC..Hα-helixtrans-76.3-35.8-175.860.30000113.6H129 D130 I135 G161 A166 G222 I228 V229H129-T225 WeakPolarHBondContact O-CG2 3.46Å; D130-T225 PolarHBondContact OD1-N 2.9Å; D130-T225 VanDerWaalsContact OD1-N 3.11Å; I135-T225 HydrophobicContact CD1-CG2 3.74Å; I135-T225 HydrophobicContact CG1-CG2 4.09Å; G161-T225 PolarHBondContact O-OG1 2.87Å; A166-T225 HydrophobicContact CB-CG2 4.41Å; G222-T225 WeakPolarHBondContact CA-OG1 3.34Å; G222-T225 PolarHBondContact N-OG1 3.36Å; G222-T225 PolarHBondContact O-N 3.36Å; G222-T225 PolarHBondContact O-OG1 3.37Å; T225-I228 PolarHBondContact O-N 2.75Å; T225-V229 WeakPolarHBondContact O-CG2 3.28Å; T225-V229 PolarHBondContact O-N 3Å
226F97.3Very high95.9Very high18 Ų1843.9 Ų43.98%0.07922%0.217CC..Hα-helixtrans-61.7-49.7-176.3-178.3-95.6000112.9L195 P200 W202 L221 G222 I228 V229 L230L195-F226 HydrophobicContact CD2-CE2 4.14Å; P200-F226 HydrophobicContact CG-CD1 3.85Å; P200-F226 HydrophobicContact CG-CD2 4.4Å; P200-F226 HydrophobicContact CG-CE1 3.75Å; P200-F226 HydrophobicContact CG-CE2 4.32Å; P200-F226 HydrophobicContact CG-CG 4.19Å; P200-F226 HydrophobicContact CG-CZ 4Å; W202-F226 HydrophobicContact CH2-CD2 4.03Å; W202-F226 HydrophobicContact CH2-CE2 4.09Å; W202-F226 AromaticContact CZ3-CD2 3.88Å; W202-F226 HydrophobicContact CZ3-CD2 3.88Å; W202-F226 AromaticContact CZ3-CE2 3.99Å; W202-F226 HydrophobicContact CZ3-CE2 3.99Å; L221-F226 HydrophobicContact CB-CB 3.89Å; L221-F226 HydrophobicContact CB-CD2 4.2Å; L221-F226 HydrophobicContact CD1-CB 4.37Å; L221-F226 HydrophobicContact CD1-CD2 4.02Å; L221-F226 HydrophobicContact CG-CD2 4.33Å; G222-F226 WeakPolarHBondContact O-CB 3.06Å; G222-F226 PolarHBondContact O-N 2.66Å; F226-I228 VanDerWaalsContact C-N 3.27Å; F226-I228 PolarHBondContact O-N 3.3Å; F226-V229 PolarHBondContact O-N 3.13Å; F226-L230 HydrophobicContact CE1-CB 4.46Å; F226-L230 HydrophobicContact CE1-CD2 3.93Å; F226-L230 HydrophobicContact CZ-CD2 4.31Å; F226-L230 WeakPolarHBondContact O-CB 3.18Å; F226-L230 PolarHBondContact O-N 3.07Å
227P97.2Very high96.2Very high45 Ų4544.2 Ų44.229%0.29222%0.22SC..Hα-helixtrans-59.8-36.8178.2-24.135.1000113E223 A231E223-P227 WeakPolarHBondContact O-CD 3.48Å; E223-P227 WeakPolarHBondContact O-CG 3.46Å; P227-A231 VanDerWaalsContact O-CB 3.23Å; P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 3.47Å
228I97.7Very high96.5Very high0 Ų039.3 Ų39.30%020%0.201CC..Hα-helixtrans-67.6-49.7178-60.6169.4000110.2L4 V5 I135 A166 S170 Q224 T225 F226 L230 A231 K232L4-I228 HydrophobicContact CD2-CB 4.34Å; L4-I228 HydrophobicContact CD2-CG1 3.63Å; V5-I228 HydrophobicContact CG2-CD1 4.19Å; I135-I228 HydrophobicContact CD1-CD1 4.18Å; I135-I228 HydrophobicContact CG2-CD1 4.25Å; A166-I228 HydrophobicContact CB-CB 3.9Å; A166-I228 HydrophobicContact CB-CD1 4.13Å; A166-I228 HydrophobicContact CB-CG2 3.71Å; S170-I228 WeakPolarHBondContact OG-CG2 3.4Å; Q224-I228 WeakPolarHBondContact O-CD1 3.34Å; Q224-I228 WeakPolarHBondContact O-CG1 3.42Å; T225-I228 PolarHBondContact O-N 2.75Å; F226-I228 VanDerWaalsContact C-N 3.27Å; F226-I228 PolarHBondContact O-N 3.3Å; I228-L230 PolarHBondContact O-N 3.17Å; I228-A231 PolarHBondContact O-N 2.95Å; I228-K232 HydrophobicContact CG2-CD 3.96Å; I228-K232 HydrophobicContact CG2-CG 4.46Å; I228-K232 VanDerWaalsContact O-CB 3.3Å; I228-K232 WeakPolarHBondContact O-CB 3.2Å; I228-K232 PolarHBondContact O-N 2.94Å
229V97.9Very high96.8Very high0 Ų040.1 Ų40.10%021%0.206CC..Hα-helixtrans-61.3-45.7179.5170.70000110.5A165 A166 L195 L221 T225 F226 A231 K232 C233A165-V229 HydrophobicContact CB-CG2 4.03Å; A166-V229 HydrophobicContact CB-CG2 4.27Å; L195-V229 HydrophobicContact CD1-CG1 4.13Å; L195-V229 HydrophobicContact CD2-CG1 4.12Å; L221-V229 HydrophobicContact CD1-CB 3.77Å; L221-V229 HydrophobicContact CD1-CG1 3.88Å; L221-V229 HydrophobicContact CD1-CG2 3.85Å; T225-V229 WeakPolarHBondContact O-CG2 3.28Å; T225-V229 PolarHBondContact O-N 3Å; F226-V229 PolarHBondContact O-N 3.13Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 3.21Å; V229-K232 PolarHBondContact O-N 2.89Å; V229-C233 HydrophobicContact CG1-CB 4.11Å; V229-C233 VanDerWaalsContact O-CB 3.24Å; V229-C233 WeakPolarHBondContact O-CB 3.39Å; V229-C233 PolarHBondContact O-N 3.22Å
230L97.7Very high97.1Very high44 Ų4439.6 Ų39.623%0.2320%0.204CC..Hα-helixtrans-59.4-42.2178.1179.963.2000112.3L195 G198 F226 I228 Q235L195-L230 HydrophobicContact CD2-CB 4.29Å; L195-L230 HydrophobicContact CD2-CD1 4.04Å; G198-L230 WeakPolarHBondContact O-CD2 2.94Å; F226-L230 HydrophobicContact CE1-CB 4.46Å; F226-L230 HydrophobicContact CE1-CD2 3.93Å; F226-L230 HydrophobicContact CZ-CD2 4.31Å; F226-L230 WeakPolarHBondContact O-CB 3.18Å; F226-L230 PolarHBondContact O-N 3.07Å; I228-L230 PolarHBondContact O-N 3.17Å; L230-Q235 PolarHBondContact O-NE2 3.18Å
231A96.8Very high97.2Very high74 Ų7437.3 Ų37.361%0.61220%0.201SC*.Hα-helixtrans-80.9-26.2-176.400000114.3P227 I228 V229P227-A231 VanDerWaalsContact O-CB 3.23Å; P227-A231 WeakPolarHBondContact O-CB 3.36Å; P227-A231 PolarHBondContact O-N 3.47Å; I228-A231 PolarHBondContact O-N 2.95Å; V229-A231 VanDerWaalsContact C-N 3.32Å; V229-A231 PolarHBondContact O-N 3.21Å
232K97.4Very high97.4Very high49 Ų4939.5 Ų39.521%0.21321%0.213CC..Hα-helixtrans-120.9-21.8-167.7-60-170.4-177.3-73.40115.2A169 K173 I228 V229A169-K232 HydrophobicContact CB-CB 3.69Å; K173-K232 WeakPolarHBondContact CE-O 3.37Å; K173-K232 HydrophobicContact CG-CB 4.07Å; K173-K232 WeakPolarHBondContact CG-O 3.5Å; I228-K232 HydrophobicContact CG2-CD 3.96Å; I228-K232 HydrophobicContact CG2-CG 4.46Å; I228-K232 VanDerWaalsContact O-CB 3.3Å; I228-K232 WeakPolarHBondContact O-CB 3.2Å; I228-K232 PolarHBondContact O-N 2.94Å; V229-K232 PolarHBondContact O-N 2.89Å
233C98.4Very high97.6Very high7 Ų744.7 Ų44.75%0.04724%0.244CC..SBendtrans-86.1160.4173.4-64.50000110.7V181 V229 Q235V181-C233 WeakPolarHBondContact O-CA 3.36Å; V181-C233 WeakPolarHBondContact O-CB 3.47Å; V229-C233 HydrophobicContact CG1-CB 4.11Å; V229-C233 VanDerWaalsContact O-CB 3.24Å; V229-C233 WeakPolarHBondContact O-CB 3.39Å; V229-C233 PolarHBondContact O-N 3.22Å; C233-Q235 PolarHBondContact O-NE2 2.52Å
234E98.2Very high97.8Very high44 Ų4441.3 Ų41.321%0.20623%0.228CC..  trans-65144.2167.5-50.4-52.6133.300109.5K173 K180 V181 F182 E236K173-E234 IonicContact NZ-OE1 3.46Å; K173-E234 PolarHBondContact NZ-OE1 2.78Å; K180-E234 WeakPolarHBondContact CA-OE1 3.39Å; K180-E234 HydrophobicContact CB-CG 3.79Å; K180-E234 HydrophobicContact CD-CG 4.23Å; K180-E234 HydrophobicContact CG-CG 4.21Å; V181-E234 PolarHBondContact O-N 3Å; F182-E234 HydrophobicContact CD1-CB 3.62Å; F182-E234 HydrophobicContact CD1-CG 3.83Å; F182-E234 HydrophobicContact CD2-CG 4.29Å; F182-E234 HydrophobicContact CE1-CB 3.69Å; F182-E234 HydrophobicContact CE1-CG 3.72Å; F182-E234 HydrophobicContact CE2-CG 4.2Å; F182-E234 HydrophobicContact CG-CB 4.28Å; F182-E234 HydrophobicContact CG-CG 4.13Å; F182-E234 HydrophobicContact CZ-CB 4.4Å; F182-E234 HydrophobicContact CZ-CG 3.92Å; E234-E236 PolarHBondContact O-N 3.23Å
235Q97.5Very high97.9Very high88 Ų8838.2 Ų38.241%0.41121%0.214SC..SBendtrans-71.4-23.2179.5-55.9-53.3-55.200112L195 L230 C233 V237L195-Q235 PolarHBondContact O-OE1 2.98Å; L230-Q235 PolarHBondContact O-NE2 3.18Å; C233-Q235 PolarHBondContact O-NE2 2.52Å; Q235-V237 PolarHBondContact O-N 3.08Å
236E97.4Very high98Very high85 Ų8539.7 Ų39.740%0.39722%0.222SC..  trans-71.2123.3169.8-176.1173.6-171.700109.9F182 E234 Q275F182-E236 HydrophobicContact CD1-CB 4.25Å; F182-E236 WeakPolarHBondContact CD1-O 3.42Å; F182-E236 HydrophobicContact CE1-CB 4.09Å; F182-E236 HydrophobicContact CE1-CG 4.43Å; E234-E236 PolarHBondContact O-N 3.23Å; E236-Q275 VanDerWaalsContact OE1-CG 3.3Å; E236-Q275 WeakPolarHBondContact OE1-CG 3.31Å; E236-Q275 PolarHBondContact OE1-NE2 3.31Å
237V98.5Very high98.1Very high8 Ų841.2 Ų41.25%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-114.9138.31781790000108.3C183 E185 L191 A192 L195 Q235 Q275C183-V237 HydrophobicContact CB-CG1 4.14Å; C183-V237 HydrophobicContact CB-CG2 4.23Å; C183-V237 WeakPolarHBondContact O-CG1 3.3Å; E185-V237 HydrophobicContact CB-CG1 4.33Å; E185-V237 HydrophobicContact CG-CG1 3.74Å; L191-V237 HydrophobicContact CD2-CG1 4.39Å; L191-V237 HydrophobicContact CD2-CG2 4.46Å; L191-V237 HydrophobicContact CG-CG2 4.26Å; A192-V237 HydrophobicContact CB-CB 3.84Å; A192-V237 HydrophobicContact CB-CG1 4.38Å; A192-V237 HydrophobicContact CB-CG2 4.29Å; L195-V237 HydrophobicContact CD1-CG2 3.66Å; L195-V237 HydrophobicContact CG-CG2 4.4Å; Q235-V237 PolarHBondContact O-N 3.08Å; V237-Q275 PolarHBondContact O-NE2 2.74Å; V237-Q275 PolarHBondContact O-OE1 2.8Å
238F98.7Very high98.2Very high0 Ų039.2 Ų39.20%023%0.226CC..EExtended strand (participates in β ladder)trans-89.2109.9173.5-71.2-92.4000110F156 F182 C183 V184 E185 A270 Q275 A276 L279F156-F238 HydrophobicContact CE1-CD2 4.43Å; F156-F238 AromaticContact CE1-CE2 3.82Å; F156-F238 HydrophobicContact CE1-CE2 3.82Å; F156-F238 HydrophobicContact CE1-CZ 4.22Å; F156-F238 HydrophobicContact CE2-CE2 4.42Å; F156-F238 HydrophobicContact CE2-CZ 4.39Å; F156-F238 HydrophobicContact CZ-CD2 4.35Å; F156-F238 HydrophobicContact CZ-CE1 4.3Å; F156-F238 AromaticContact CZ-CE2 3.75Å; F156-F238 HydrophobicContact CZ-CE2 3.75Å; F156-F238 AromaticContact CZ-CZ 3.74Å; F156-F238 HydrophobicContact CZ-CZ 3.74Å; F182-F238 HydrophobicContact CB-CD2 3.8Å; F182-F238 HydrophobicContact CB-CE2 3.73Å; F182-F238 HydrophobicContact CD1-CD2 4.29Å; F182-F238 AromaticContact CD1-CE2 3.61Å; F182-F238 HydrophobicContact CD1-CE2 3.61Å; F182-F238 HydrophobicContact CD2-CE2 4.32Å; F182-F238 HydrophobicContact CE1-CE2 4.22Å; F182-F238 HydrophobicContact CG-CD2 4.24Å; F182-F238 AromaticContact CG-CE2 3.65Å; F182-F238 HydrophobicContact CG-CE2 3.65Å; C183-F238 PolarHBondContact O-N 3.19Å; V184-F238 CarbonylContact C-O 3.54Å; V184-F238 WeakPolarHBondContact CA-O 3.17Å; V184-F238 HydrophobicContact CG1-CB 4.34Å; V184-F238 HydrophobicContact CG2-CB 4.21Å; E185-F238 PolarHBondContact N-O 3.4Å; F238-A270 HydrophobicContact CB-CB 3.64Å; F238-A270 HydrophobicContact CD1-CB 4.14Å; F238-A270 HydrophobicContact CG-CB 3.93Å; F238-Q275 HydrophobicContact CD1-CB 3.91Å; F238-Q275 VanDerWaalsContact CD1-CD 3.5Å; F238-Q275 HydrophobicContact CD1-CG 3.8Å; F238-Q275 HydrophobicContact CE1-CB 3.72Å; F238-Q275 HydrophobicContact CE1-CG 3.47Å; F238-Q275 VanDerWaalsContact CE1-CG 3.47Å; F238-Q275 HydrophobicContact CZ-CG 4.15Å; F238-A276 HydrophobicContact CE1-CB 3.86Å; F238-L279 HydrophobicContact CZ-CD1 3.89Å; F238-L279 HydrophobicContact CZ-CD2 4.1Å; F238-L279 HydrophobicContact CZ-CG 4.1Å
239T98.5Very high98.2Very high51 Ų5139.2 Ų39.231%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-94.1122.8175.5-51.90000109.8E185 Y187E185-T239 HydrophobicContact CG-CG2 4.11Å; E185-T239 CarbonylContact O-C 3.58Å; E185-T239 WeakPolarHBondContact O-CA 3.21Å; E185-T239 PolarHBondContact OE1-OG1 2.86Å; E185-T239 VanDerWaalsContact OE1-OG1 3.07Å; Y187-T239 HydrophobicContact CD2-CG2 4.25Å
240V98.7Very high98.2Very high0 Ų043.8 Ų43.80%024%0.243CC..EExtended strand (participates in β ladder)trans-117.4144.9-179-63.50000111.9V184 E185 P186 Y187 I245 V266 A269 A270V184-V240 HydrophobicContact CG1-CG1 4.33Å; V184-V240 HydrophobicContact CG1-CG2 4.19Å; E185-V240 WeakPolarHBondContact O-CG2 3.47Å; E185-V240 PolarHBondContact O-N 3.35Å; P186-V240 CarbonylContact C-O 3.37Å; P186-V240 WeakPolarHBondContact CA-O 3.49Å; Y187-V240 PolarHBondContact N-O 2.75Å; V240-I245 HydrophobicContact CB-CG1 4.48Å; V240-I245 HydrophobicContact CG2-CD1 4.03Å; V240-I245 HydrophobicContact CG2-CG1 3.83Å; V240-V266 HydrophobicContact CG2-CB 4.13Å; V240-V266 HydrophobicContact CG2-CG1 4.47Å; V240-A269 HydrophobicContact CB-CB 4.13Å; V240-A269 HydrophobicContact CG1-CB 3.89Å; V240-A269 HydrophobicContact CG2-CB 4.35Å; V240-A270 HydrophobicContact CG1-CB 4.25Å
241T98.6Very high98.2Very high56 Ų5643.5 Ų43.534%0.34424%0.241SC..  trans-88.4158.4175.9610000111.4T243 Q244 I245T241-T243 PolarHBondContact O-N 3.03Å; T241-Q244 WeakPolarHBondContact O-CB 3.41Å; T241-Q244 PolarHBondContact O-N 3.48Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.32Å; T241-Q244 PolarHBondContact OG1-N 3Å; T241-Q244 PolarHBondContact OG1-OE1 3.23Å; T241-I245 WeakPolarHBondContact O-CG1 3.23Å; T241-I245 PolarHBondContact O-N 3.4Å
242D98.3Very high98.3Very high52 Ų5240 Ų4028%0.27821%0.212SC..Hα-helixtrans-56.1-37.2175.6-77.50.3000112.3T211 I212 Q244 I245 V246T211-D242 WeakPolarHBondContact CA-OD2 2.95Å; T211-D242 WeakPolarHBondContact CB-OD1 3.29Å; T211-D242 PolarHBondContact OG1-OD1 2.98Å; I212-D242 HydrophobicContact CD1-CB 4.37Å; I212-D242 HydrophobicContact CG1-CB 4.06Å; I212-D242 HydrophobicContact CG2-CB 4.47Å; I212-D242 PolarHBondContact N-OD1 3.35Å; I212-D242 PolarHBondContact N-OD2 2.73Å; D242-Q244 VanDerWaalsContact C-N 3.34Å; D242-Q244 PolarHBondContact O-N 3.4Å; D242-I245 WeakPolarHBondContact O-CB 3.26Å; D242-I245 PolarHBondContact O-N 3.29Å; D242-V246 WeakPolarHBondContact O-CG2 3.25Å; D242-V246 PolarHBondContact O-N 3.32Å
243T98.4Very high98.3Very high114 Ų11439.6 Ų39.670%0.69921%0.21SC*.Hα-helixtrans-58.8-44174.3-54.80000112.2T241 V246 A247T241-T243 PolarHBondContact O-N 3.03Å; T243-V246 PolarHBondContact O-N 3.08Å; T243-A247 PolarHBondContact O-N 2.75Å
244Q98.7Very high98.3Very high68 Ų6843.4 Ų43.432%0.31823%0.227SC..Hα-helixtrans-68.4-36.7176.7-69.8165.7-55.500111.7T241 D242 A247 A248 A269T241-Q244 WeakPolarHBondContact O-CB 3.41Å; T241-Q244 PolarHBondContact O-N 3.48Å; T241-Q244 WeakPolarHBondContact OG1-CG 3.32Å; T241-Q244 PolarHBondContact OG1-N 3Å; T241-Q244 PolarHBondContact OG1-OE1 3.23Å; D242-Q244 VanDerWaalsContact C-N 3.34Å; D242-Q244 PolarHBondContact O-N 3.4Å; Q244-A247 PolarHBondContact O-N 3.21Å; Q244-A248 WeakPolarHBondContact O-CB 3.36Å; Q244-A248 PolarHBondContact O-N 3.39Å; Q244-A269 HydrophobicContact CB-CB 4.21Å
245I98.5Very high98.3Very high0 Ų047.6 Ų47.60%024%0.241CC..Hα-helixtrans-62.4-46.2175-62.4171.6000110.2I212 A213 V240 T241 D242 A247 A248 M249 P262 V266 A269I212-I245 HydrophobicContact CD1-CB 4.22Å; I212-I245 HydrophobicContact CD1-CG2 3.95Å; I212-I245 HydrophobicContact CG1-CG2 4.26Å; A213-I245 HydrophobicContact CB-CD1 4.11Å; V240-I245 HydrophobicContact CB-CG1 4.48Å; V240-I245 HydrophobicContact CG2-CD1 4.03Å; V240-I245 HydrophobicContact CG2-CG1 3.83Å; T241-I245 WeakPolarHBondContact O-CG1 3.23Å; T241-I245 PolarHBondContact O-N 3.4Å; D242-I245 WeakPolarHBondContact O-CB 3.26Å; D242-I245 PolarHBondContact O-N 3.29Å; I245-A247 PolarHBondContact O-N 2.88Å; I245-A248 PolarHBondContact O-N 3.05Å; I245-M249 HydrophobicContact CG2-SD 4.46Å; I245-M249 VanDerWaalsContact O-CG 3.32Å; I245-M249 WeakPolarHBondContact O-CG 2.95Å; I245-M249 PolarHBondContact O-N 3.26Å; I245-P262 HydrophobicContact CG2-CB 3.64Å; I245-P262 WeakPolarHBondContact CG2-O 3.33Å; I245-V266 HydrophobicContact CD1-CG1 3.8Å; I245-V266 HydrophobicContact CG1-CG1 3.92Å; I245-V266 HydrophobicContact CG2-CG1 4.34Å; I245-A269 HydrophobicContact CG1-CB 4.47Å
246V98.4Very high98.3Very high30 Ų3044.6 Ų44.618%0.18223%0.227CC..Hα-helixtrans-60.9-44.7176.3172.50000111.7I212 D242 T243 A248 M249 R250 P301 W302I212-V246 HydrophobicContact CD1-CG2 3.4Å; D242-V246 WeakPolarHBondContact O-CG2 3.25Å; D242-V246 PolarHBondContact O-N 3.32Å; T243-V246 PolarHBondContact O-N 3.08Å; V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 PolarHBondContact O-N 2.78Å; V246-M249 WeakPolarHBondContact O-CB 3.1Å; V246-M249 PolarHBondContact O-N 2.7Å; V246-R250 PolarHBondContact O-N 3.09Å; V246-P301 HydrophobicContact CG1-CB 4.42Å; V246-P301 HydrophobicContact CG2-CB 3.58Å; V246-P301 HydrophobicContact CG2-CG 4.17Å; V246-W302 HydrophobicContact CG1-CE3 4.01Å
247A98.4Very high98.3Very high50 Ų5048.3 Ų48.341%0.41324%0.242SC..Hα-helixtrans-61.2-43.317700000111.7T243 Q244 I245 R250 L251T243-A247 PolarHBondContact O-N 2.75Å; Q244-A247 PolarHBondContact O-N 3.21Å; I245-A247 PolarHBondContact O-N 2.88Å; A247-R250 PolarHBondContact O-N 3.24Å; A247-L251 WeakPolarHBondContact O-CG 3.45Å; A247-L251 PolarHBondContact O-N 2.97Å
248A98.7Very high98.3Very high3 Ų349 Ų493%0.02525%0.245CC..Hα-helixtrans-64.2-41.1175.800000112.4Q244 I245 V246 L251 I252 A265 L268 A269Q244-A248 WeakPolarHBondContact O-CB 3.36Å; Q244-A248 PolarHBondContact O-N 3.39Å; I245-A248 PolarHBondContact O-N 3.05Å; V246-A248 VanDerWaalsContact C-N 3.34Å; V246-A248 PolarHBondContact O-N 2.78Å; A248-L251 PolarHBondContact O-N 2.81Å; A248-I252 WeakPolarHBondContact O-CG1 3.23Å; A248-I252 PolarHBondContact O-N 2.92Å; A248-A265 HydrophobicContact CB-CB 4.2Å; A248-L268 HydrophobicContact CB-CB 4.09Å; A248-L268 HydrophobicContact CB-CD2 4.21Å; A248-L268 HydrophobicContact CB-CG 4.12Å; A248-A269 HydrophobicContact CB-CB 3.77Å
249M98.4Very high98.1Very high0 Ų052 Ų520%026%0.263CS..Hα-helixtrans-57.9-50173.2-72.8176.575.400110.9I245 V246 L251 I252 Y253 V260 P262 A265 P301 W302I245-M249 HydrophobicContact CG2-SD 4.46Å; I245-M249 VanDerWaalsContact O-CG 3.32Å; I245-M249 WeakPolarHBondContact O-CG 2.95Å; I245-M249 PolarHBondContact O-N 3.26Å; V246-M249 WeakPolarHBondContact O-CB 3.1Å; V246-M249 PolarHBondContact O-N 2.7Å; M249-L251 VanDerWaalsContact C-N 3.32Å; M249-L251 PolarHBondContact O-N 3.26Å; M249-I252 PolarHBondContact O-N 3.12Å; M249-I252 VanDerWaalsContact O-N 3.13Å; M249-Y253 WeakPolarHBondContact O-CD2 3.43Å; M249-Y253 PolarHBondContact O-N 2.85Å; M249-V260 HydrophobicContact CG-CG2 4.43Å; M249-P262 HydrophobicContact CE-CG 3.93Å; M249-P262 VanDerWaalsContact SD-CA 3.51Å; M249-P262 HydrophobicContact SD-CB 3.69Å; M249-P262 HydrophobicContact SD-CG 3.6Å; M249-P262 VanDerWaalsContact SD-CG 3.6Å; M249-A265 HydrophobicContact CB-CB 4.27Å; M249-A265 HydrophobicContact CG-CB 3.42Å; M249-A265 VanDerWaalsContact CG-CB 3.42Å; M249-P301 HydrophobicContact CE-CG 4.29Å; M249-P301 HydrophobicContact SD-CG 4.1Å; M249-W302 HydrophobicContact CB-CH2 3.84Å; M249-W302 HydrophobicContact CB-CZ3 3.55Å; M249-W302 HydrophobicContact CE-CH2 4.04Å; M249-W302 HydrophobicContact CE-CZ3 3.97Å; M249-W302 HydrophobicContact CG-CZ3 4.5Å; M249-W302 HydrophobicContact SD-CZ3 4.2Å
250R98Very high98Very high97 Ų9749.6 Ų49.637%0.36625%0.249SC..Hα-helixtrans-55.7-46.1177.9-76.3177.6163.5-88.19.5112V246 A247 I252 Y253 E254 W302V246-R250 PolarHBondContact O-N 3.09Å; A247-R250 PolarHBondContact O-N 3.24Å; R250-I252 PolarHBondContact O-N 3.02Å; R250-Y253 PolarHBondContact O-N 3.19Å; R250-E254 IonicContact NH1-OE1 3.39Å; R250-E254 PolarHBondContact NH1-OE1 3.39Å; R250-E254 VanDerWaalsContact O-CB 3.23Å; R250-E254 WeakPolarHBondContact O-CB 3.42Å; R250-E254 VanDerWaalsContact O-CG 3.22Å; R250-E254 WeakPolarHBondContact O-CG 3.42Å; R250-E254 PolarHBondContact O-N 3.14Å; R250-W302 HydrophobicContact CG-CD2 4.1Å; R250-W302 HydrophobicContact CG-CE3 3.77Å; R250-W302 HydrophobicContact CG-CH2 4.37Å; R250-W302 HydrophobicContact CG-CZ3 3.92Å
251L98.5Very high97.8Very high37 Ų3749.7 Ų49.719%0.19425%0.249CC..Hα-helixtrans-59.3-42.6176.9-75.2174.8000112.9L32 L35 A247 A248 M249 R255 L268L32-L251 HydrophobicContact CD2-CB 3.87Å; L32-L251 HydrophobicContact CD2-CD1 4.29Å; L32-L251 HydrophobicContact CD2-CD2 4.24Å; L32-L251 HydrophobicContact CD2-CG 4.37Å; L35-L251 HydrophobicContact CD1-CD1 4.4Å; L35-L251 HydrophobicContact CD1-CD2 3.9Å; A247-L251 WeakPolarHBondContact O-CG 3.45Å; A247-L251 PolarHBondContact O-N 2.97Å; A248-L251 PolarHBondContact O-N 2.81Å; M249-L251 VanDerWaalsContact C-N 3.32Å; M249-L251 PolarHBondContact O-N 3.26Å; L251-R255 HydrophobicContact CD2-CG 4.39Å; L251-R255 WeakPolarHBondContact O-CA 3.31Å; L251-R255 WeakPolarHBondContact O-CB 3.35Å; L251-R255 WeakPolarHBondContact O-CG 3.16Å; L251-R255 PolarHBondContact O-N 3.18Å; L251-L268 HydrophobicContact CB-CD2 4.09Å
252I98.6Very high97.6Very high0 Ų047.3 Ų47.30%023%0.234CC..Iπ-helixtrans-64.7-45.4177.2-66.2164.2000110.6A248 M249 R250 M256 K257 L258 V260 A265 L268 L290A248-I252 WeakPolarHBondContact O-CG1 3.23Å; A248-I252 PolarHBondContact O-N 2.92Å; M249-I252 PolarHBondContact O-N 3.12Å; M249-I252 VanDerWaalsContact O-N 3.13Å; R250-I252 PolarHBondContact O-N 3.02Å; I252-M256 HydrophobicContact CG1-SD 4.19Å; I252-M256 HydrophobicContact CG2-CB 4.43Å; I252-M256 HydrophobicContact CG2-SD 4.24Å; I252-M256 CarbonylContact O-C 3.6Å; I252-M256 WeakPolarHBondContact O-CA 3.48Å; I252-M256 VanDerWaalsContact O-CB 3.29Å; I252-M256 WeakPolarHBondContact O-CB 3.28Å; I252-M256 PolarHBondContact O-N 2.87Å; I252-K257 PolarHBondContact O-N 2.87Å; I252-L258 HydrophobicContact CG2-CB 3.88Å; I252-L258 PolarHBondContact O-N 2.87Å; I252-V260 HydrophobicContact CB-CG2 4.07Å; I252-V260 HydrophobicContact CD1-CG1 4.48Å; I252-V260 HydrophobicContact CD1-CG2 3.87Å; I252-V260 HydrophobicContact CG2-CG1 3.86Å; I252-V260 HydrophobicContact CG2-CG2 3.86Å; I252-A265 HydrophobicContact CD1-CB 3.94Å; I252-L268 HydrophobicContact CD1-CB 4.22Å; I252-L268 HydrophobicContact CD1-CD2 3.85Å; I252-L268 HydrophobicContact CG1-CD2 3.47Å; I252-L268 VanDerWaalsContact CG1-CD2 3.47Å; I252-L290 HydrophobicContact CD1-CD2 3.93Å
253Y97.9Very high97.4Very high42 Ų4244.8 Ų44.817%0.16522%0.221CC..Iπ-helixtrans-64.9-45.4178.9-82.3-120.7000111.5M249 R250 K257 L258 V259 V260 L300 W302M249-Y253 WeakPolarHBondContact O-CD2 3.43Å; M249-Y253 PolarHBondContact O-N 2.85Å; R250-Y253 PolarHBondContact O-N 3.19Å; Y253-K257 WeakPolarHBondContact O-CA 3.08Å; Y253-K257 WeakPolarHBondContact O-CD 3.33Å; Y253-K257 PolarHBondContact O-N 3.12Å; Y253-L258 WeakPolarHBondContact CD2-O 3.38Å; Y253-V259 HydrophobicContact CE1-CG1 4.46Å; Y253-V259 HydrophobicContact CE1-CG2 4.42Å; Y253-V259 WeakPolarHBondContact OH-CG1 3.48Å; Y253-V260 HydrophobicContact CD2-CG2 4.16Å; Y253-V260 HydrophobicContact CE2-CG2 3.71Å; Y253-V260 VanDerWaalsContact CE2-N 3.34Å; Y253-V260 WeakPolarHBondContact CE2-O 3.44Å; Y253-V260 PolarHBondContact OH-O 3.02Å; Y253-L300 HydrophobicContact CE1-CD2 4.08Å; Y253-W302 HydrophobicContact CD1-CH2 4.44Å; Y253-W302 HydrophobicContact CD1-CZ2 4.09Å; Y253-W302 HydrophobicContact CD2-CH2 4.18Å; Y253-W302 HydrophobicContact CE1-CH2 4.48Å; Y253-W302 HydrophobicContact CE1-CZ2 4.23Å; Y253-W302 HydrophobicContact CE2-CH2 4.17Å; Y253-W302 HydrophobicContact CG-CH2 4.29Å; Y253-W302 HydrophobicContact CG-CZ2 4.29Å
254E97.4Very high97.3Very high87 Ų8739.4 Ų39.441%0.40719%0.188SC..Iπ-helixtrans-78.5-38.4-173.3-69.4167.4-169.100112.5R250 K257R250-E254 IonicContact NH1-OE1 3.39Å; R250-E254 PolarHBondContact NH1-OE1 3.39Å; R250-E254 VanDerWaalsContact O-CB 3.23Å; R250-E254 WeakPolarHBondContact O-CB 3.42Å; R250-E254 VanDerWaalsContact O-CG 3.22Å; R250-E254 WeakPolarHBondContact O-CG 3.42Å; R250-E254 PolarHBondContact O-N 3.14Å; E254-K257 VanDerWaalsContact O-CE 3.24Å; E254-K257 WeakPolarHBondContact O-CE 3.41Å; E254-K257 PolarHBondContact O-NZ 3.48Å
255R97.8Very high97.2Very high131 Ų13136.1 Ų36.149%0.49417%0.173SC..Iπ-helixtrans-101.9-36.2-172.5-54.9-57.3-178.3156.5-11.2113.9D31 L32 L251D31-R255 HydrophobicContact CB-CG 4.48Å; D31-R255 WeakPolarHBondContact OD2-CD 3.23Å; D31-R255 IonicContact OD2-CZ 2.77Å; D31-R255 IonicContact OD2-NE 3.67Å; D31-R255 IonicContact OD2-NH1 2.75Å; D31-R255 PolarHBondContact OD2-NH1 2.76Å; L32-R255 HydrophobicContact CD2-CB 4.36Å; L32-R255 HydrophobicContact CD2-CG 4.37Å; L251-R255 HydrophobicContact CD2-CG 4.39Å; L251-R255 WeakPolarHBondContact O-CA 3.31Å; L251-R255 WeakPolarHBondContact O-CB 3.35Å; L251-R255 WeakPolarHBondContact O-CG 3.16Å; L251-R255 PolarHBondContact O-N 3.18Å
256M98Very high97.2Very high26 Ų2636.1 Ų36.113%0.12817%0.173CC..Iπ-helixtrans-97.6-16.3179-55.6178.470.600112.9F27 L32 F42 I252 L258 L290F27-M256 HydrophobicContact CB-CE 3.8Å; L32-M256 HydrophobicContact CD1-CG 3.75Å; L32-M256 HydrophobicContact CD1-SD 3.53Å; L32-M256 VanDerWaalsContact CD1-SD 3.53Å; F42-M256 HydrophobicContact CB-CE 3.71Å; F42-M256 HydrophobicContact CD1-CE 4.12Å; F42-M256 HydrophobicContact CD1-SD 4.19Å; F42-M256 HydrophobicContact CD2-CE 3.44Å; F42-M256 VanDerWaalsContact CD2-CE 3.44Å; F42-M256 HydrophobicContact CD2-SD 4.06Å; F42-M256 HydrophobicContact CE1-SD 4.19Å; F42-M256 HydrophobicContact CE2-CE 4.03Å; F42-M256 HydrophobicContact CE2-SD 4.07Å; F42-M256 HydrophobicContact CG-CE 3.49Å; F42-M256 VanDerWaalsContact CG-CE 3.49Å; F42-M256 HydrophobicContact CG-SD 4.11Å; F42-M256 HydrophobicContact CZ-SD 4.13Å; I252-M256 HydrophobicContact CG1-SD 4.19Å; I252-M256 HydrophobicContact CG2-CB 4.43Å; I252-M256 HydrophobicContact CG2-SD 4.24Å; I252-M256 CarbonylContact O-C 3.6Å; I252-M256 WeakPolarHBondContact O-CA 3.48Å; I252-M256 VanDerWaalsContact O-CB 3.29Å; I252-M256 WeakPolarHBondContact O-CB 3.28Å; I252-M256 PolarHBondContact O-N 2.87Å; M256-L258 HydrophobicContact CB-CB 4.47Å; M256-L258 HydrophobicContact CB-CD1 4.15Å; M256-L258 HydrophobicContact CB-CG 4.04Å; M256-L258 HydrophobicContact CE-CD1 3.79Å; M256-L258 PolarHBondContact O-N 3.49Å; M256-L290 HydrophobicContact CE-CD1 4.46Å
257K97.7Very high97.2Very high162 Ų16234.7 Ų34.770%0.70416%0.164SC*.  trans6031.7-175.6-47.7-53.4-170.4-174.30112.9I252 Y253 E254I252-K257 PolarHBondContact O-N 2.87Å; Y253-K257 WeakPolarHBondContact O-CA 3.08Å; Y253-K257 WeakPolarHBondContact O-CD 3.33Å; Y253-K257 PolarHBondContact O-N 3.12Å; E254-K257 VanDerWaalsContact O-CE 3.24Å; E254-K257 WeakPolarHBondContact O-CE 3.41Å; E254-K257 PolarHBondContact O-NZ 3.48Å
258L97.6Very high97.2Very high22 Ų2232.3 Ų32.312%0.11514%0.144CC..  trans-108.3138.7178.6-60.9177.7000110.9F27 M47 I252 Y253 M256 L290F27-L258 HydrophobicContact CD2-CD1 3.62Å; F27-L258 HydrophobicContact CE2-CD1 3.91Å; F27-L258 HydrophobicContact CE2-CD2 4.03Å; F27-L258 HydrophobicContact CG-CD1 4.45Å; M47-L258 HydrophobicContact SD-CD2 4.36Å; I252-L258 HydrophobicContact CG2-CB 3.88Å; I252-L258 PolarHBondContact O-N 2.87Å; Y253-L258 WeakPolarHBondContact CD2-O 3.38Å; M256-L258 HydrophobicContact CB-CB 4.47Å; M256-L258 HydrophobicContact CB-CD1 4.15Å; M256-L258 HydrophobicContact CB-CG 4.04Å; M256-L258 HydrophobicContact CE-CD1 3.79Å; M256-L258 PolarHBondContact O-N 3.49Å; L258-L290 HydrophobicContact CD1-CD1 3.88Å
259V96Very high97.2Very high64 Ų6432.3 Ų32.339%0.38814%0.144SC..  trans-83.8121.9172.5178.90000108.9N46 Y253 Q295 L297N46-V259 PolarHBondContact ND2-O 3.17Å; Y253-V259 HydrophobicContact CE1-CG1 4.46Å; Y253-V259 HydrophobicContact CE1-CG2 4.42Å; Y253-V259 WeakPolarHBondContact OH-CG1 3.48Å; V259-Q295 HydrophobicContact CG1-CB 4.43Å; V259-L297 HydrophobicContact CG1-CD2 4.24Å
260V95.4Very high97.2Very high0 Ų032.3 Ų32.30%014%0.144CC..  trans-129.5150.2174.6-65.70000111N46 M249 I252 Y253 A265 L290N46-V260 HydrophobicContact CB-CG1 4.43Å; M249-V260 HydrophobicContact CG-CG2 4.43Å; I252-V260 HydrophobicContact CB-CG2 4.07Å; I252-V260 HydrophobicContact CD1-CG1 4.48Å; I252-V260 HydrophobicContact CD1-CG2 3.87Å; I252-V260 HydrophobicContact CG2-CG1 3.86Å; I252-V260 HydrophobicContact CG2-CG2 3.86Å; Y253-V260 HydrophobicContact CD2-CG2 4.16Å; Y253-V260 HydrophobicContact CE2-CG2 3.71Å; Y253-V260 VanDerWaalsContact CE2-N 3.34Å; Y253-V260 WeakPolarHBondContact CE2-O 3.44Å; Y253-V260 PolarHBondContact OH-O 3.02Å; V260-A265 HydrophobicContact CG2-CB 4.16Å; V260-L290 HydrophobicContact CG1-CB 4.36Å; V260-L290 HydrophobicContact CG1-CD1 4.29Å; V260-L290 HydrophobicContact CG1-CD2 4.38Å
261E93.7Very high97.3Very high3 Ų327.8 Ų27.81%0.01413%0.128CC..  trans-82.2162.4165.378.8-168.7-161.500109.8K54 N61 S263 G264 A265 G292 Q295K54-E261 IonicContact NZ-OE1 3.73Å; N61-E261 VanDerWaalsContact ND2-CD 3.32Å; N61-E261 PolarHBondContact ND2-OE1 2.98Å; N61-E261 PolarHBondContact ND2-OE2 2.89Å; E261-S263 PolarHBondContact O-N 3.44Å; E261-S263 WeakPolarHBondContact OE1-CB 3.36Å; E261-G264 WeakPolarHBondContact O-CA 3.42Å; E261-G264 PolarHBondContact O-N 3.49Å; E261-A265 PolarHBondContact O-N 3.46Å; E261-G292 WeakPolarHBondContact CG-O 3.45Å; E261-G292 PolarHBondContact N-O 3Å; E261-Q295 HydrophobicContact CB-CB 4.47Å
262P95Very high97.3Very high5 Ų528.3 Ų28.33%0.03213%0.13CC..Hα-helixtrans-56.4-39.5-178.3-21.327.2000112.8I212 A213 I245 M249 G264 A265 V266 Q295I212-P262 HydrophobicContact CB-CB 4.46Å; I212-P262 HydrophobicContact CB-CG 4.45Å; I212-P262 HydrophobicContact CD1-CB 3.95Å; I212-P262 HydrophobicContact CD1-CG 4.26Å; I212-P262 HydrophobicContact CG1-CB 3.89Å; I212-P262 HydrophobicContact CG1-CG 4.33Å; I212-P262 WeakPolarHBondContact O-CG 3.3Å; A213-P262 HydrophobicContact CB-CB 4.39Å; I245-P262 HydrophobicContact CG2-CB 3.64Å; I245-P262 WeakPolarHBondContact CG2-O 3.33Å; M249-P262 HydrophobicContact CE-CG 3.93Å; M249-P262 VanDerWaalsContact SD-CA 3.51Å; M249-P262 HydrophobicContact SD-CB 3.69Å; M249-P262 HydrophobicContact SD-CG 3.6Å; M249-P262 VanDerWaalsContact SD-CG 3.6Å; P262-G264 PolarHBondContact O-N 3.15Å; P262-A265 PolarHBondContact O-N 3.21Å; P262-V266 WeakPolarHBondContact O-CG1 3.19Å; P262-V266 PolarHBondContact O-N 3.22Å; P262-Q295 VanDerWaalsContact CD-OE1 3.25Å
263S94.6Very high97.2Very high0 Ų028.6 Ų28.60%013%0.132CC..Hα-helixtrans-65.9-19.5176.3-45.30000114.1K54 Q158 A213 D214 G215 E261 S291K54-S263 PolarHBondContact NZ-O 3.25Å; K54-S263 VanDerWaalsContact NZ-O 3.11Å; Q158-S263 PolarHBondContact NE2-O 3.11Å; Q158-S263 VanDerWaalsContact NE2-O 3.17Å; A213-S263 VanDerWaalsContact C-OG 3.26Å; A213-S263 WeakPolarHBondContact CA-OG 3.32Å; D214-S263 PolarHBondContact OD1-OG 3.34Å; G215-S263 WeakPolarHBondContact CA-OG 3.4Å; G215-S263 PolarHBondContact N-OG 2.88Å; E261-S263 PolarHBondContact O-N 3.44Å; E261-S263 WeakPolarHBondContact OE1-CB 3.36Å; S263-S291 PolarHBondContact O-OG 3.3Å
264G95.1Very high97.2Very high0 Ų032.9 Ų32.90%015%0.153CC..Hα-helixtrans-85.1-20.2173.200000113.3E261 P262 L290E261-G264 WeakPolarHBondContact O-CA 3.42Å; E261-G264 PolarHBondContact O-N 3.49Å; P262-G264 PolarHBondContact O-N 3.15Å; G264-L290 WeakPolarHBondContact O-CD2 3.44Å
265A97.8Very high97.2Very high0 Ų031.2 Ų31.20%015%0.146CC..Hα-helixtrans-92.3-14.3-178.300000114.1A248 M249 I252 V260 E261 P262 G267 L268 A269A248-A265 HydrophobicContact CB-CB 4.2Å; M249-A265 HydrophobicContact CB-CB 4.27Å; M249-A265 HydrophobicContact CG-CB 3.42Å; M249-A265 VanDerWaalsContact CG-CB 3.42Å; I252-A265 HydrophobicContact CD1-CB 3.94Å; V260-A265 HydrophobicContact CG2-CB 4.16Å; E261-A265 PolarHBondContact O-N 3.46Å; P262-A265 PolarHBondContact O-N 3.21Å; A265-G267 PolarHBondContact O-N 2.88Å; A265-G267 VanDerWaalsContact O-N 3.16Å; A265-L268 PolarHBondContact O-N 3.48Å; A265-A269 PolarHBondContact O-N 3.38Å
266V98Very high97.2Very high0 Ų025.1 Ų25.10%012%0.123CC..Hα-helixtrans-59.9-32.1-172.9-50.30000113.5Q158 V184 A213 L216 V240 I245 P262 L268 A269 A270Q158-V266 HydrophobicContact CB-CG2 3.23Å; Q158-V266 HydrophobicContact CG-CG2 4.36Å; V184-V266 HydrophobicContact CB-CG2 4.35Å; V184-V266 HydrophobicContact CG1-CB 4.04Å; V184-V266 HydrophobicContact CG1-CG2 3.97Å; V184-V266 WeakPolarHBondContact CG1-O 3.33Å; A213-V266 HydrophobicContact CB-CG1 4.3Å; L216-V266 HydrophobicContact CD1-CB 4.41Å; L216-V266 HydrophobicContact CD1-CG1 3.71Å; L216-V266 HydrophobicContact CD1-CG2 3.95Å; V240-V266 HydrophobicContact CG2-CB 4.13Å; V240-V266 HydrophobicContact CG2-CG1 4.47Å; I245-V266 HydrophobicContact CD1-CG1 3.8Å; I245-V266 HydrophobicContact CG1-CG1 3.92Å; I245-V266 HydrophobicContact CG2-CG1 4.34Å; P262-V266 WeakPolarHBondContact O-CG1 3.19Å; P262-V266 PolarHBondContact O-N 3.22Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 2.93Å; V266-A269 WeakPolarHBondContact O-CB 3.41Å; V266-A269 PolarHBondContact O-N 3Å; V266-A269 VanDerWaalsContact O-N 3.16Å; V266-A270 PolarHBondContact O-N 2.65Å
267G98.4Very high97.1Very high0 Ų028.4 Ų28.40%014%0.137CC..Hα-helixtrans-64.8-36.5176.900000112.7A265 A270 A271A265-G267 PolarHBondContact O-N 2.88Å; A265-G267 VanDerWaalsContact O-N 3.16Å; G267-A270 PolarHBondContact O-N 2.97Å; G267-A271 PolarHBondContact O-N 3.03Å
268L98.8Very high97.1Very high0 Ų026.2 Ų26.20%013%0.133CC..Hα-helixtrans-71.1-38.9170.9-179.464000111.3L32 L40 F42 A248 L251 I252 A265 V266 A270 A271 M272 I288L32-L268 HydrophobicContact CD1-CD1 4.3Å; L32-L268 HydrophobicContact CD1-CD2 3.98Å; L32-L268 HydrophobicContact CD2-CD2 4.46Å; L40-L268 HydrophobicContact CD1-CD1 3.82Å; F42-L268 HydrophobicContact CE1-CB 4.42Å; F42-L268 HydrophobicContact CE1-CD1 4.07Å; F42-L268 HydrophobicContact CZ-CD1 4.06Å; A248-L268 HydrophobicContact CB-CB 4.09Å; A248-L268 HydrophobicContact CB-CD2 4.21Å; A248-L268 HydrophobicContact CB-CG 4.12Å; L251-L268 HydrophobicContact CB-CD2 4.09Å; I252-L268 HydrophobicContact CD1-CB 4.22Å; I252-L268 HydrophobicContact CD1-CD2 3.85Å; I252-L268 HydrophobicContact CG1-CD2 3.47Å; I252-L268 VanDerWaalsContact CG1-CD2 3.47Å; A265-L268 PolarHBondContact O-N 3.48Å; V266-L268 VanDerWaalsContact C-N 3.33Å; V266-L268 PolarHBondContact O-N 2.93Å; L268-A270 PolarHBondContact O-N 3.21Å; L268-A271 PolarHBondContact O-N 3.31Å; L268-A271 VanDerWaalsContact O-N 3.14Å; L268-M272 HydrophobicContact CD1-CE 3.54Å; L268-M272 HydrophobicContact CD1-CG 4.16Å; L268-M272 HydrophobicContact CG-CE 4.45Å; L268-M272 HydrophobicContact CG-CG 4.34Å; L268-M272 WeakPolarHBondContact O-CG 3.35Å; L268-M272 PolarHBondContact O-N 3.24Å; L268-I288 HydrophobicContact CD1-CD1 4.44Å
269A98.8Very high97.2Very high3 Ų325.6 Ų25.63%0.02513%0.13CC..Hα-helixtrans-57.9-39.4174.600000111.7V240 Q244 I245 A248 A265 V266 M272 S273V240-A269 HydrophobicContact CB-CB 4.13Å; V240-A269 HydrophobicContact CG1-CB 3.89Å; V240-A269 HydrophobicContact CG2-CB 4.35Å; Q244-A269 HydrophobicContact CB-CB 4.21Å; I245-A269 HydrophobicContact CG1-CB 4.47Å; A248-A269 HydrophobicContact CB-CB 3.77Å; A265-A269 PolarHBondContact O-N 3.38Å; V266-A269 WeakPolarHBondContact O-CB 3.41Å; V266-A269 PolarHBondContact O-N 3Å; V266-A269 VanDerWaalsContact O-N 3.16Å; A269-M272 PolarHBondContact O-N 2.68Å; A269-S273 PolarHBondContact O-N 3.12Å
270A98.8Very high97.2Very high0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-65.5-46.4173.400000111.9F156 V184 F238 V240 V266 G267 L268 M272 S273 A276F156-A270 HydrophobicContact CD2-CB 3.82Å; F156-A270 HydrophobicContact CE2-CB 4.11Å; V184-A270 HydrophobicContact CB-CB 4.35Å; V184-A270 HydrophobicContact CG1-CB 3.7Å; V184-A270 HydrophobicContact CG2-CB 3.69Å; F238-A270 HydrophobicContact CB-CB 3.64Å; F238-A270 HydrophobicContact CD1-CB 4.14Å; F238-A270 HydrophobicContact CG-CB 3.93Å; V240-A270 HydrophobicContact CG1-CB 4.25Å; V266-A270 PolarHBondContact O-N 2.65Å; G267-A270 PolarHBondContact O-N 2.97Å; L268-A270 PolarHBondContact O-N 3.21Å; A270-M272 PolarHBondContact O-N 3.16Å; A270-S273 VanDerWaalsContact O-CB 3.29Å; A270-S273 WeakPolarHBondContact O-CB 2.89Å; A270-S273 PolarHBondContact O-N 3.11Å; A270-S273 PolarHBondContact O-OG 3.08Å; A270-A276 WeakPolarHBondContact O-CB 3.27Å
271A98.7Very high97.3Very high2 Ų230.1 Ų30.12%0.01716%0.16CC..Hα-helixtrans-61.5-23.3177.600000114.1L40 F156 G267 L268 I288L40-A271 HydrophobicContact CD1-CB 4.38Å; L40-A271 HydrophobicContact CD2-CB 4.1Å; F156-A271 HydrophobicContact CD2-CB 4.3Å; F156-A271 HydrophobicContact CE2-CB 4.11Å; G267-A271 PolarHBondContact O-N 3.03Å; L268-A271 PolarHBondContact O-N 3.31Å; L268-A271 VanDerWaalsContact O-N 3.14Å; A271-I288 HydrophobicContact CB-CD1 3.93Å
272M98.5Very high97.5Very high47 Ų4735.8 Ų35.823%0.23219%0.187CC..THydrogen-bonded Turntrans-94.40.2176.1-62.7-64.7168.700113.5L32 L35 A36 L40 L268 A269 A270L32-M272 HydrophobicContact CB-CE 4.25Å; L32-M272 HydrophobicContact CD2-CE 4.29Å; L32-M272 WeakPolarHBondContact O-CE 3.42Å; L35-M272 HydrophobicContact CB-CE 3.78Å; L35-M272 HydrophobicContact CB-SD 3.92Å; A36-M272 HydrophobicContact CB-CE 3.83Å; A36-M272 HydrophobicContact CB-SD 4.06Å; L40-M272 HydrophobicContact CD1-CE 4.31Å; L268-M272 HydrophobicContact CD1-CE 3.54Å; L268-M272 HydrophobicContact CD1-CG 4.16Å; L268-M272 HydrophobicContact CG-CE 4.45Å; L268-M272 HydrophobicContact CG-CG 4.34Å; L268-M272 WeakPolarHBondContact O-CG 3.35Å; L268-M272 PolarHBondContact O-N 3.24Å; A269-M272 PolarHBondContact O-N 2.68Å; A270-M272 PolarHBondContact O-N 3.16Å
273S97.9Very high97.6Very high7 Ų735.8 Ų35.85%0.04919%0.186CC..SBendtrans-80.6153.3-17873.40000112.1A269 A270 Q275 A276 F277A269-S273 PolarHBondContact O-N 3.12Å; A270-S273 VanDerWaalsContact O-CB 3.29Å; A270-S273 WeakPolarHBondContact O-CB 2.89Å; A270-S273 PolarHBondContact O-N 3.11Å; A270-S273 PolarHBondContact O-OG 3.08Å; S273-Q275 PolarHBondContact O-N 3.25Å; S273-Q275 VanDerWaalsContact O-N 3.16Å; S273-A276 WeakPolarHBondContact O-CB 3.39Å; S273-A276 PolarHBondContact O-N 3.07Å; S273-A276 PolarHBondContact OG-N 2.93Å; S273-F277 VanDerWaalsContact O-CD2 3.29Å; S273-F277 WeakPolarHBondContact O-CD2 3.27Å; S273-F277 PolarHBondContact O-N 3.22Å
274Q97.1Very high97.8Very high131 Ų13142.9 Ų42.961%0.61221%0.213SC*.Hα-helixtrans-55.1-34.3174-174.36044.500112.3A276 F277 N278Q274-A276 VanDerWaalsContact C-N 3.26Å; Q274-A276 PolarHBondContact O-N 3.45Å; Q274-F277 PolarHBondContact O-N 2.75Å; Q274-N278 PolarHBondContact NE2-OD1 2.9Å; Q274-N278 VanDerWaalsContact NE2-OD1 3.11Å; Q274-N278 VanDerWaalsContact O-CG 3.27Å; Q274-N278 PolarHBondContact O-N 2.79Å; Q274-N278 VanDerWaalsContact O-N 3.09Å; Q274-N278 PolarHBondContact O-OD1 3.5Å
275Q97Very high98Very high53 Ų5346.2 Ų46.225%0.24823%0.226CC..Hα-helixtrans-58.7-39.5175.1-171.2-178.6-7.100111.4E236 V237 F238 S273 N278 L279E236-Q275 VanDerWaalsContact OE1-CG 3.3Å; E236-Q275 WeakPolarHBondContact OE1-CG 3.31Å; E236-Q275 PolarHBondContact OE1-NE2 3.31Å; V237-Q275 PolarHBondContact O-NE2 2.74Å; V237-Q275 PolarHBondContact O-OE1 2.8Å; F238-Q275 HydrophobicContact CD1-CB 3.91Å; F238-Q275 VanDerWaalsContact CD1-CD 3.5Å; F238-Q275 HydrophobicContact CD1-CG 3.8Å; F238-Q275 HydrophobicContact CE1-CB 3.72Å; F238-Q275 HydrophobicContact CE1-CG 3.47Å; F238-Q275 VanDerWaalsContact CE1-CG 3.47Å; F238-Q275 HydrophobicContact CZ-CG 4.15Å; S273-Q275 PolarHBondContact O-N 3.25Å; S273-Q275 VanDerWaalsContact O-N 3.16Å; Q275-N278 PolarHBondContact O-N 3.1Å; Q275-L279 PolarHBondContact O-N 3.43Å
276A97.9Very high98Very high3 Ų346.2 Ų46.23%0.02523%0.226CC..Hα-helixtrans-73.2-32.8179.600000112.2F156 F238 A270 S273 Q274 N278 L279F156-A276 HydrophobicContact CE2-CB 4.47Å; F238-A276 HydrophobicContact CE1-CB 3.86Å; A270-A276 WeakPolarHBondContact O-CB 3.27Å; S273-A276 WeakPolarHBondContact O-CB 3.39Å; S273-A276 PolarHBondContact O-N 3.07Å; S273-A276 PolarHBondContact OG-N 2.93Å; Q274-A276 VanDerWaalsContact C-N 3.26Å; Q274-A276 PolarHBondContact O-N 3.45Å; A276-N278 PolarHBondContact O-N 2.82Å; A276-L279 WeakPolarHBondContact O-CB 3.37Å; A276-L279 PolarHBondContact O-N 3.4Å
277F97.3Very high98Very high94 Ų9446.2 Ų46.241%0.41223%0.226SC..Hα-helixtrans-65.1-30171.3-76.2-81.2000112.7L35 S273 Q274 L279L35-F277 VanDerWaalsContact O-CZ 3.3Å; L35-F277 WeakPolarHBondContact O-CZ 3.07Å; S273-F277 VanDerWaalsContact O-CD2 3.29Å; S273-F277 WeakPolarHBondContact O-CD2 3.27Å; S273-F277 PolarHBondContact O-N 3.22Å; Q274-F277 PolarHBondContact O-N 2.75Å; F277-L279 VanDerWaalsContact C-N 3.29Å
278N97.5Very high98.1Very high117 Ų11746.2 Ų46.263%0.62623%0.226SC*.THydrogen-bonded Turntrans-82.6-3.8177.5-65-12.2000113.5Q274 Q275 A276Q274-N278 PolarHBondContact NE2-OD1 2.9Å; Q274-N278 VanDerWaalsContact NE2-OD1 3.11Å; Q274-N278 VanDerWaalsContact O-CG 3.27Å; Q274-N278 PolarHBondContact O-N 2.79Å; Q274-N278 VanDerWaalsContact O-N 3.09Å; Q274-N278 PolarHBondContact O-OD1 3.5Å; Q275-N278 PolarHBondContact O-N 3.1Å; A276-N278 PolarHBondContact O-N 2.82Å
279L98Very high98Very high8 Ų846.3 Ų46.34%0.04223%0.226CC..SBendtrans-61.2147.3174.5-75.2176.2000110.8R38 F156 F182 F238 Q275 A276 F277 I283R38-L279 PolarHBondContact NH2-O 3.16Å; F156-L279 HydrophobicContact CE1-CD1 4.33Å; F156-L279 HydrophobicContact CZ-CD1 3.87Å; F182-L279 HydrophobicContact CE1-CD2 4.33Å; F182-L279 HydrophobicContact CZ-CD2 3.95Å; F238-L279 HydrophobicContact CZ-CD1 3.89Å; F238-L279 HydrophobicContact CZ-CD2 4.1Å; F238-L279 HydrophobicContact CZ-CG 4.1Å; Q275-L279 PolarHBondContact O-N 3.43Å; A276-L279 WeakPolarHBondContact O-CB 3.37Å; A276-L279 PolarHBondContact O-N 3.4Å; F277-L279 VanDerWaalsContact C-N 3.29Å; L279-I283 HydrophobicContact CB-CD1 4.44Å; L279-I283 HydrophobicContact CD1-CG2 4.18Å; L279-I283 HydrophobicContact CD2-CD1 4.07Å
280P97.7Very high97.9Very high47 Ų4746.1 Ų46.131%0.30523%0.225SC..  trans-51.5145.4175.3-28.234.8000113.5R38 E282 I283R38-P280 PolarHBondContact NH1-O 2.72Å; P280-E282 HydrophobicContact CB-CG 4.3Å; P280-E282 WeakPolarHBondContact CB-OE1 3.4Å; P280-E282 WeakPolarHBondContact CB-OE2 3.26Å; P280-E282 PolarHBondContact O-N 2.76Å; P280-E282 VanDerWaalsContact O-N 3.16Å; P280-I283 PolarHBondContact O-N 3.45Å
281P96.4Very high97.7Very high112 Ų11246.1 Ų46.173%0.72723%0.225SC*.THydrogen-bonded Turntrans-61.6-23.8-175.624.9-34.3000113.5I283P281-I283 VanDerWaalsContact C-N 3.28Å; P281-I283 PolarHBondContact O-N 2.9Å
282E97.5Very high97.4Very high123 Ų12346 Ų4658%0.57522%0.224SC*.THydrogen-bonded Turntrans-69.6-20.4174.970.3-84.2-167.500113.9P280 R284P280-E282 HydrophobicContact CB-CG 4.3Å; P280-E282 WeakPolarHBondContact CB-OE1 3.4Å; P280-E282 WeakPolarHBondContact CB-OE2 3.26Å; P280-E282 PolarHBondContact O-N 2.76Å; P280-E282 VanDerWaalsContact O-N 3.16Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.32Å; E282-R284 VanDerWaalsContact O-N 3.08Å
283I98.2Very high97.1Very high4 Ų444.4 Ų44.42%0.02122%0.22CC..  trans-84.279.9173.2-56.3176.3000108.2R38 D153 A154 K180 F182 L279 P280 P281 I286R38-I283 WeakPolarHBondContact CD-O 3.32Å; R38-I283 PolarHBondContact NH1-O 2.99Å; D153-I283 HydrophobicContact CB-CG2 4.23Å; A154-I283 HydrophobicContact CB-CG2 3.62Å; K180-I283 HydrophobicContact CD-CD1 3.75Å; F182-I283 HydrophobicContact CE2-CD1 4.28Å; F182-I283 HydrophobicContact CZ-CD1 4.14Å; L279-I283 HydrophobicContact CB-CD1 4.44Å; L279-I283 HydrophobicContact CD1-CG2 4.18Å; L279-I283 HydrophobicContact CD2-CD1 4.07Å; P280-I283 PolarHBondContact O-N 3.45Å; P281-I283 VanDerWaalsContact C-N 3.28Å; P281-I283 PolarHBondContact O-N 2.9Å; I283-I286 HydrophobicContact CG2-CD1 4.46Å; I283-I286 HydrophobicContact CG2-CG1 4.25Å
284R98.1Very high96.6Very high149 Ų14946.1 Ų46.156%0.56223%0.228SC*.  trans-101.9-39.2-172-177176169.8109.13.4112.8E39 D153 E282E39-R284 PolarHBondContact N-O 3.02Å; E39-R284 IonicContact OE1-CZ 2.81Å; E39-R284 IonicContact OE1-NE 3.05Å; E39-R284 PolarHBondContact OE1-NE 3.26Å; E39-R284 IonicContact OE1-NH2 3.64Å; E39-R284 PolarHBondContact OE1-NH2 3.25Å; E39-R284 VanDerWaalsContact OE1-NH2 3.11Å; D153-R284 PolarHBondContact OD2-N 3.16Å; E282-R284 VanDerWaalsContact C-N 3.32Å; E282-R284 PolarHBondContact O-N 3.32Å; E282-R284 VanDerWaalsContact O-N 3.08Å
285R98.7Very high96.2Very high70 Ų7041.5 Ų41.526%0.26421%0.207SC..EExtended strand (participates in β ladder)trans-103.3104.3-173.8-63.9173.160.985.4-4.7109.8E39 F41 K150 G151 L152 D153 A154E39-R285 HydrophobicContact CB-CG 4.14Å; E39-R285 CarbonylContact O-C 3.52Å; E39-R285 WeakPolarHBondContact O-CA 3.46Å; E39-R285 IonicContact OE2-CZ 3.67Å; E39-R285 IonicContact OE2-NH1 2.76Å; E39-R285 PolarHBondContact OE2-NH1 2.76Å; F41-R285 HydrophobicContact CE2-CB 4Å; F41-R285 HydrophobicContact CE2-CG 4.2Å; F41-R285 VanDerWaalsContact CZ-CZ 3.44Å; F41-R285 VanDerWaalsContact CZ-NH1 3.33Å; K150-R285 PolarHBondContact O-NH2 3.33Å; G151-R285 WeakPolarHBondContact O-CB 3.47Å; G151-R285 VanDerWaalsContact O-CD 3.23Å; G151-R285 WeakPolarHBondContact O-CD 3.3Å; G151-R285 PolarHBondContact O-NE 2.9Å; G151-R285 VanDerWaalsContact O-NE 3.08Å; L152-R285 HydrophobicContact CD2-CB 4.38Å; D153-R285 PolarHBondContact N-O 3.32Å; D153-R285 WeakPolarHBondContact OD2-CB 3.34Å; D153-R285 PolarHBondContact OD2-N 3.31Å; A154-R285 PolarHBondContact N-O 3.48Å
286I98.9Very high95.6Very high1 Ų141.4 Ų41.41%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-111.6122.8-170.7-56.9177.6000109.9R38 E39 L40 F41 A154 F156 I283 I288R38-I286 HydrophobicContact CB-CD1 4.13Å; R38-I286 HydrophobicContact CG-CD1 3.93Å; E39-I286 PolarHBondContact O-N 2.86Å; L40-I286 WeakPolarHBondContact CA-O 3.29Å; L40-I286 HydrophobicContact CD2-CB 4.01Å; F41-I286 PolarHBondContact N-O 2.95Å; A154-I286 CarbonylContact O-C 3.04Å; A154-I286 WeakPolarHBondContact O-CA 3.48Å; F156-I286 HydrophobicContact CD1-CG2 3.94Å; F156-I286 HydrophobicContact CD2-CG2 4.02Å; F156-I286 HydrophobicContact CE1-CG2 4.03Å; F156-I286 HydrophobicContact CE2-CD1 4.49Å; F156-I286 HydrophobicContact CE2-CG2 4.12Å; F156-I286 HydrophobicContact CG-CG2 3.94Å; F156-I286 HydrophobicContact CZ-CD1 4.09Å; F156-I286 HydrophobicContact CZ-CG2 4.12Å; I283-I286 HydrophobicContact CG2-CD1 4.46Å; I283-I286 HydrophobicContact CG2-CG1 4.25Å; I286-I288 HydrophobicContact CG2-CG1 4.4Å
287G98.9Very high95.2Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-86.5132.1171.600000111.5F41 F145 A154 I155 F156F41-G287 CarbonylContact O-C 3.56Å; F41-G287 WeakPolarHBondContact O-CA 3.33Å; F145-G287 VanDerWaalsContact CZ-CA 3.4Å; A154-G287 PolarHBondContact O-N 2.64Å; I155-G287 CarbonylContact C-O 3.55Å; I155-G287 WeakPolarHBondContact CA-O 3.48Å; F156-G287 PolarHBondContact N-O 3.21Å
288I98.7Very high94.7Very high0 Ų048.5 Ų48.50%025%0.249CC..EExtended strand (participates in β ladder)trans-123.3129.4176.1-66.4167.6000108.1L40 F41 F42 K43 F156 L268 A271 I286 L290L40-I288 HydrophobicContact CD1-CD1 4.3Å; L40-I288 HydrophobicContact CD2-CD1 4.23Å; F41-I288 PolarHBondContact O-N 2.75Å; F42-I288 CarbonylContact C-O 3.57Å; F42-I288 WeakPolarHBondContact CA-O 3.36Å; F42-I288 HydrophobicContact CD1-CB 3.92Å; F42-I288 HydrophobicContact CD1-CD1 4.24Å; F42-I288 HydrophobicContact CD1-CG2 3.96Å; F42-I288 HydrophobicContact CE1-CB 4.21Å; F42-I288 HydrophobicContact CE1-CD1 3.64Å; F42-I288 HydrophobicContact CE1-CG2 4.25Å; F42-I288 HydrophobicContact CZ-CD1 4.21Å; K43-I288 PolarHBondContact N-O 3.33Å; F156-I288 HydrophobicContact CB-CG1 4.47Å; L268-I288 HydrophobicContact CD1-CD1 4.44Å; A271-I288 HydrophobicContact CB-CD1 3.93Å; I286-I288 HydrophobicContact CG2-CG1 4.4Å; I288-L290 HydrophobicContact CG2-CD2 4.18Å
289I98.2Very high94.2Very high1 Ų149.6 Ų49.61%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-94.8113.7176.2-58.7172000108.9K43 E45 V141 F145 I155 V157 Q158 L164 V168 S291K43-I289 HydrophobicContact CB-CG1 4.49Å; E45-I289 HydrophobicContact CB-CG2 4.29Å; E45-I289 HydrophobicContact CG-CG2 3.97Å; V141-I289 HydrophobicContact CG1-CD1 3.96Å; F145-I289 HydrophobicContact CD1-CG1 4.25Å; F145-I289 HydrophobicContact CE1-CG1 4.2Å; I155-I289 HydrophobicContact CG2-CD1 4.39Å; V157-I289 HydrophobicContact CG2-CD1 4.46Å; Q158-I289 PolarHBondContact NE2-O 3.42Å; Q158-I289 PolarHBondContact OE1-O 3.3Å; L164-I289 HydrophobicContact CD1-CD1 4.39Å; V168-I289 HydrophobicContact CG2-CD1 3.78Å; I289-S291 PolarHBondContact O-N 3.26Å
290L97Very high93.9Very high0 Ų050.2 Ų50.20%025%0.252CS..  trans-80.574.1172.9-59.7-176.1000109.1F42 K43 E45 N46 I252 M256 L258 V260 G264 I288 G292F42-L290 HydrophobicContact CB-CD1 4.04Å; F42-L290 HydrophobicContact CB-CG 4.21Å; F42-L290 HydrophobicContact CD1-CD1 4.44Å; F42-L290 HydrophobicContact CD1-CD2 4.02Å; F42-L290 HydrophobicContact CD1-CG 4.3Å; K43-L290 PolarHBondContact O-N 3.01Å; E45-L290 CarbonylContact C-O 3.54Å; E45-L290 VanDerWaalsContact C-O 3.28Å; E45-L290 WeakPolarHBondContact CA-O 3.39Å; E45-L290 WeakPolarHBondContact CB-O 3.23Å; E45-L290 PolarHBondContact N-O 3.36Å; N46-L290 PolarHBondContact N-O 3.01Å; N46-L290 WeakPolarHBondContact OD1-CB 3.46Å; I252-L290 HydrophobicContact CD1-CD2 3.93Å; M256-L290 HydrophobicContact CE-CD1 4.46Å; L258-L290 HydrophobicContact CD1-CD1 3.88Å; V260-L290 HydrophobicContact CG1-CB 4.36Å; V260-L290 HydrophobicContact CG1-CD1 4.29Å; V260-L290 HydrophobicContact CG1-CD2 4.38Å; G264-L290 WeakPolarHBondContact O-CD2 3.44Å; I288-L290 HydrophobicContact CG2-CD2 4.18Å; L290-G292 PolarHBondContact O-N 3.06Å
291S94Very high93.7Very high0 Ų049.9 Ų49.90%025%0.249CC..  trans-61.6-16.4-162.664.40000117.9S52 F53 K54 Q158 S263 I289S52-S291 WeakPolarHBondContact CA-O 3.29Å; S52-S291 WeakPolarHBondContact CB-O 3.47Å; F53-S291 PolarHBondContact N-O 3.42Å; K54-S291 WeakPolarHBondContact CD-OG 3.43Å; K54-S291 VanDerWaalsContact CE-CB 3.45Å; K54-S291 WeakPolarHBondContact CE-OG 3.49Å; K54-S291 PolarHBondContact NZ-OG 2.95Å; Q158-S291 PolarHBondContact NE2-OG 3.36Å; S263-S291 PolarHBondContact O-OG 3.3Å; I289-S291 PolarHBondContact O-N 3.26Å
292G92Very high93.6Very high0 Ų047.5 Ų47.50%023%0.226CC..BIsolated β-bridgetrans-171.3149-172.300000113.6N46 G51 E261 L290N46-G292 VanDerWaalsContact CB-C 3.49Å; G51-G292 CarbonylContact O-C 3.38Å; E261-G292 WeakPolarHBondContact CG-O 3.45Å; E261-G292 PolarHBondContact N-O 3Å; L290-G292 PolarHBondContact O-N 3.06Å
293G91.9Very high93.1Very high13 Ų1344.9 Ų44.913%0.13422%0.22CC..  trans-134.816.7-178.800000113.6G51 Q295G51-G293 PolarHBondContact O-N 3.46Å; G293-Q295 PolarHBondContact O-N 3.42Å
294N88.7Confident91.7Very high43 Ų4349.8 Ų49.823%0.2325%0.251CS..  trans-76.353.5178.6-72.2-29.9000111.7T50 S52 N61T50-N294 PolarHBondContact O-ND2 2.94Å; T50-N294 PolarHBondContact O-OD1 3.03Å; S52-N294 PolarHBondContact OG-ND2 3.36Å; N61-N294 WeakPolarHBondContact OD1-CB 3.42Å; N61-N294 PolarHBondContact OD1-ND2 3.47Å
295Q87.3Confident89.6Confident34 Ų3448 Ų4816%0.15926%0.259CS..  trans-86131.9-180177.756.538.100110.6V259 E261 P262 G293 L297 K299 L300V259-Q295 HydrophobicContact CG1-CB 4.43Å; E261-Q295 HydrophobicContact CB-CB 4.47Å; P262-Q295 VanDerWaalsContact CD-OE1 3.25Å; G293-Q295 PolarHBondContact O-N 3.42Å; Q295-L297 PolarHBondContact O-N 2.95Å; Q295-K299 PolarHBondContact NE2-O 3.42Å; Q295-L300 HydrophobicContact CG-CD2 3.52Å
296D85.8Confident87.4Confident51 Ų5148.8 Ų48.827%0.27327%0.271SS..  trans-73.3110.4167.2-175.4-15.6000108.4D298 K299 L300D296-D298 VanDerWaalsContact C-N 3.25Å; D296-D298 PolarHBondContact O-N 3.45Å; D296-D298 PolarHBondContact OD1-N 3.25Å; D296-K299 HydrophobicContact CB-CB 4.09Å; D296-K299 HydrophobicContact CB-CD 4.48Å; D296-K299 HydrophobicContact CB-CG 4.39Å; D296-K299 CarbonylContact O-C 3.51Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 WeakPolarHBondContact OD2-CD 3.3Å; D296-K299 VanDerWaalsContact OD2-CE 3.24Å; D296-K299 WeakPolarHBondContact OD2-CE 3.47Å; D296-K299 WeakPolarHBondContact OD2-CG 3.4Å; D296-K299 IonicContact OD2-NZ 3.94Å; D296-K299 PolarHBondContact OD2-NZ 3.39Å; D296-L300 PolarHBondContact O-N 3.29Å
297L88Confident85Confident98 Ų9858.3 Ų58.351%0.51332%0.316SS..G310 helixtrans-68.6-25.7-174.1-61.8-177000112.4V259 Q295 K299 L300V259-L297 HydrophobicContact CG1-CD2 4.24Å; Q295-L297 PolarHBondContact O-N 2.95Å; L297-K299 PolarHBondContact O-N 3.48Å; L297-L300 WeakPolarHBondContact O-CG 3.33Å
298D87.6Confident82.6Confident148 Ų14862 Ų6279%0.79135%0.346SS*.G310 helixtrans-77.2-10.9174.7-60.9-36.2000111.8D296D296-D298 VanDerWaalsContact C-N 3.25Å; D296-D298 PolarHBondContact O-N 3.45Å; D296-D298 PolarHBondContact OD1-N 3.25Å
299K86.9Confident80Confident140 Ų14068.4 Ų68.461%0.60938%0.38SS*.G310 helixtrans-12333.2-179.1-57.9-175.6-170.5163.80112.6Q295 D296 L297Q295-K299 PolarHBondContact NE2-O 3.42Å; D296-K299 HydrophobicContact CB-CB 4.09Å; D296-K299 HydrophobicContact CB-CD 4.48Å; D296-K299 HydrophobicContact CB-CG 4.39Å; D296-K299 CarbonylContact O-C 3.51Å; D296-K299 PolarHBondContact O-N 2.97Å; D296-K299 WeakPolarHBondContact OD2-CD 3.3Å; D296-K299 VanDerWaalsContact OD2-CE 3.24Å; D296-K299 WeakPolarHBondContact OD2-CE 3.47Å; D296-K299 WeakPolarHBondContact OD2-CG 3.4Å; D296-K299 IonicContact OD2-NZ 3.94Å; D296-K299 PolarHBondContact OD2-NZ 3.39Å; L297-K299 PolarHBondContact O-N 3.48Å
300L92.6Very high77.3Confident21 Ų2172.5 Ų72.511%0.1141%0.414CS..  trans-59.5138.5170.6-70167.1000109.5Y253 Q295 D296 L297 W302 C303Y253-L300 HydrophobicContact CE1-CD2 4.08Å; Q295-L300 HydrophobicContact CG-CD2 3.52Å; D296-L300 PolarHBondContact O-N 3.29Å; L297-L300 WeakPolarHBondContact O-CG 3.33Å; L300-W302 HydrophobicContact CB-CD2 4.13Å; L300-W302 HydrophobicContact CB-CG 4.44Å; L300-W302 HydrophobicContact CB-CZ2 4.09Å; L300-W302 HydrophobicContact CD1-CZ2 3.85Å; L300-W302 HydrophobicContact CD2-CH2 3.95Å; L300-W302 HydrophobicContact CD2-CZ2 3.67Å; L300-W302 HydrophobicContact CG-CZ2 4.08Å; L300-W302 PolarHBondContact O-N 3Å; L300-C303 HydrophobicContact CB-CB 4.32Å; L300-C303 PolarHBondContact O-N 3.48Å
301P92.5Very high74.6Confident40 Ų4083.4 Ų83.426%0.2647%0.472SS..THydrogen-bonded Turntrans-59.9-14.3-175.3-26.234.3000115.4I212 V246 M249I212-P301 HydrophobicContact CD1-CB 4.45Å; I212-P301 HydrophobicContact CD1-CG 4.13Å; V246-P301 HydrophobicContact CG1-CB 4.42Å; V246-P301 HydrophobicContact CG2-CB 3.58Å; V246-P301 HydrophobicContact CG2-CG 4.17Å; M249-P301 HydrophobicContact CE-CG 4.29Å; M249-P301 HydrophobicContact SD-CG 4.1Å
302W93.6Very high73.6Confident61 Ų6187.6 Ų87.623%0.23150%0.496CS..THydrogen-bonded Turntrans-102.1-2.417751.980.5000114.5V246 M249 R250 Y253 L300 T304V246-W302 HydrophobicContact CG1-CE3 4.01Å; M249-W302 HydrophobicContact CB-CH2 3.84Å; M249-W302 HydrophobicContact CB-CZ3 3.55Å; M249-W302 HydrophobicContact CE-CH2 4.04Å; M249-W302 HydrophobicContact CE-CZ3 3.97Å; M249-W302 HydrophobicContact CG-CZ3 4.5Å; M249-W302 HydrophobicContact SD-CZ3 4.2Å; R250-W302 HydrophobicContact CG-CD2 4.1Å; R250-W302 HydrophobicContact CG-CE3 3.77Å; R250-W302 HydrophobicContact CG-CH2 4.37Å; R250-W302 HydrophobicContact CG-CZ3 3.92Å; Y253-W302 HydrophobicContact CD1-CH2 4.44Å; Y253-W302 HydrophobicContact CD1-CZ2 4.09Å; Y253-W302 HydrophobicContact CD2-CH2 4.18Å; Y253-W302 HydrophobicContact CE1-CH2 4.48Å; Y253-W302 HydrophobicContact CE1-CZ2 4.23Å; Y253-W302 HydrophobicContact CE2-CH2 4.17Å; Y253-W302 HydrophobicContact CG-CH2 4.29Å; Y253-W302 HydrophobicContact CG-CZ2 4.29Å; L300-W302 HydrophobicContact CB-CD2 4.13Å; L300-W302 HydrophobicContact CB-CG 4.44Å; L300-W302 HydrophobicContact CB-CZ2 4.09Å; L300-W302 HydrophobicContact CD1-CZ2 3.85Å; L300-W302 HydrophobicContact CD2-CH2 3.95Å; L300-W302 HydrophobicContact CD2-CZ2 3.67Å; L300-W302 HydrophobicContact CG-CZ2 4.08Å; L300-W302 PolarHBondContact O-N 3Å; W302-T304 VanDerWaalsContact C-N 3.27Å
303C86.6Confident72.7Confident68 Ų6892.2 Ų92.246%0.45952%0.522SS..  trans-90.416.8177.1-68.60000112.5L300 P305L300-C303 HydrophobicContact CB-CB 4.32Å; L300-C303 PolarHBondContact O-N 3.48Å; C303-P305 WeakPolarHBondContact O-CD 3.32Å
304T70.7Confident71.6Confident107 Ų10796.6 Ų96.666%0.65654%0.544SS*.  trans-54.4125175-21.10000108.8W302 T306W302-T304 VanDerWaalsContact C-N 3.27Å; T304-T306 PolarHBondContact O-N 2.87Å
305P53.7Low70.6Confident113 Ų11399.7 Ų99.773%0.73456%0.562SS**  trans-58.5111.6174.1-19.430.1000107.9C303C303-P305 WeakPolarHBondContact O-CD 3.32Å
306T50.9Low69.5Low86 Ų86103.8 Ų103.853%0.52859%0.587SS.*  trans-63.9140.3155.543.10000106T304 A308 N309T304-T306 PolarHBondContact O-N 2.87Å; T306-A308 PolarHBondContact O-N 2.87Å; T306-N309 PolarHBondContact O-N 3.26Å
307E48.9Very low68.5Low201 Ų201107.3 Ų107.394%0.93961%0.608SS**G310 helixtrans-50.7-15.3174.3-70.5-179.6163.900112.9
308A49.6Very low67.1Low76 Ų76108 Ų10863%0.62862%0.615SS**G310 helixtrans-79.7-6.9176.300000116.7T306T306-A308 PolarHBondContact O-N 2.87Å
309N43.7Very low65.5Low135 Ų135104.9 Ų104.972%0.72260%0.602SS**G310 helixtrans-115.820.6-179.5-76.6-6.7000113.6T306 D311T306-N309 PolarHBondContact O-N 3.26Å; N309-D311 PolarHBondContact O-N 3.05Å
310A42.1Very low63.7Low87 Ų87102 Ų10272%0.71960%0.601SS**  trans-96.165.6169.100000109.9
311D39.6Very low61.1Low229 Ų229109.4 Ų109.4100%1.22565%0.646SS**  trans-104.80165-77.2-18000109.7N309N309-D311 PolarHBondContact O-N 3.05Å

Retrieved 311 of 311 residues in 1121.5 ms (Link to these results)

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