A0A077ZEJ2_TRITR Loading...

PIP5K domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEJ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 414 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
1M41.3Very low79.9Confident222 Ų22262.6 Ų62.6100%1.09441%0.406SS*.  0-38.50-81.1-168.9-105.200114C3M1-C3 PolarHBondContact O-N 3.4Å
2C66.1Low81Confident46 Ų4658.9 Ų58.931%0.31138%0.38SS..Hα-helixtrans-59.5-43.4-171.9-136.50000115.1A4 A5 S6C2-A4 PolarHBondContact O-N 3.12Å; C2-A5 PolarHBondContact O-N 3.28Å; C2-S6 PolarHBondContact O-N 3.1Å; C2-S6 PolarHBondContact O-OG 3.32Å
3C73.3Confident81.7Confident47 Ų4762.8 Ų62.832%0.31838%0.383SS..Hα-helixtrans-63.1-41-176.2-65.70000113.8M1 A5 S6 L7 F33M1-C3 PolarHBondContact O-N 3.4Å; C3-A5 PolarHBondContact O-N 2.76Å; C3-S6 PolarHBondContact O-N 3.47Å; C3-L7 HydrophobicContact CB-CD1 4.29Å; C3-L7 WeakPolarHBondContact O-CB 2.84Å; C3-L7 WeakPolarHBondContact O-CD1 3.46Å; C3-L7 WeakPolarHBondContact O-CG 3.22Å; C3-L7 PolarHBondContact O-N 3.31Å; C3-F33 HydrophobicContact CB-CZ 4.31Å; C3-F33 WeakPolarHBondContact SG-CZ 3.44Å
4A81.4Confident82.4Confident53 Ų5367.6 Ų67.644%0.43840%0.399SS..Hα-helixtrans-65.3-40.4-177.100000111.9C2 L7 C8C2-A4 PolarHBondContact O-N 3.12Å; A4-L7 PolarHBondContact O-N 2.9Å; A4-C8 WeakPolarHBondContact O-CB 3.28Å; A4-C8 PolarHBondContact O-N 3.45Å
5A85.3Confident82.6Confident68 Ų6867.3 Ų67.356%0.56239%0.394SS*.Hα-helixtrans-62.9-43.8176.300000111.7C2 C3 G9C2-A5 PolarHBondContact O-N 3.28Å; C3-A5 PolarHBondContact O-N 2.76Å; A5-G9 VanDerWaalsContact O-CA 3.31Å; A5-G9 WeakPolarHBondContact O-CA 3.34Å; A5-G9 PolarHBondContact O-N 3.42Å
6S87.5Confident82Confident13 Ų1369.1 Ų69.19%0.09141%0.412CS..Hα-helixtrans-69.4-37.1178.8-56.90000113.6C2 C3 T28 D30C2-S6 PolarHBondContact O-N 3.1Å; C2-S6 PolarHBondContact O-OG 3.32Å; C3-S6 PolarHBondContact O-N 3.47Å; S6-T28 WeakPolarHBondContact O-CG2 3.38Å; S6-D30 VanDerWaalsContact CB-OD2 3.3Å; S6-D30 WeakPolarHBondContact CB-OD2 3.25Å; S6-D30 PolarHBondContact OG-OD2 2.9Å
7L88.9Confident81.3Confident4 Ų468.1 Ų68.12%0.02140%0.404CS..Hα-helixtrans-82.7-30.2-175.6-68.4168.2000113.8C3 A4 T28 F33 I35 V85 L387 L389C3-L7 HydrophobicContact CB-CD1 4.29Å; C3-L7 WeakPolarHBondContact O-CB 2.84Å; C3-L7 WeakPolarHBondContact O-CD1 3.46Å; C3-L7 WeakPolarHBondContact O-CG 3.22Å; C3-L7 PolarHBondContact O-N 3.31Å; A4-L7 PolarHBondContact O-N 2.9Å; L7-T28 HydrophobicContact CD2-CG2 3.69Å; L7-T28 HydrophobicContact CG-CG2 4.39Å; L7-F33 HydrophobicContact CD2-CB 4.36Å; L7-I35 HydrophobicContact CD2-CD1 3.69Å; L7-I35 HydrophobicContact CD2-CG1 3.97Å; L7-V85 HydrophobicContact CD1-CG1 4.15Å; L7-V85 HydrophobicContact CD1-CG2 4.19Å; L7-V85 HydrophobicContact CD2-CG1 4.02Å; L7-V85 HydrophobicContact CD2-CG2 4.23Å; L7-L387 HydrophobicContact CD1-CD2 4.46Å; L7-L389 HydrophobicContact CB-CD2 4.37Å
8C89.1Confident79.9Confident36 Ų3668.6 Ų68.624%0.24341%0.409CS..Hα-helixtrans-119.1-12.2-171.5-60.90000113.8A4 S388A4-C8 WeakPolarHBondContact O-CB 3.28Å; A4-C8 PolarHBondContact O-N 3.45Å; C8-S388 PolarHBondContact SG-O 3.11Å
9G85.1Confident78.9Confident54 Ų5467 Ų6756%0.55741%0.408SS*.SBendtrans-82.1-27.8-174.900000114.6A5A5-G9 VanDerWaalsContact O-CA 3.31Å; A5-G9 WeakPolarHBondContact O-CA 3.34Å; A5-G9 PolarHBondContact O-N 3.42Å
10L89.5Confident77.9Confident89 Ų8971.3 Ų71.347%0.46643%0.434SS..SBendtrans-138.3153.9-178.9-67.8174.5000110.2L12 N29L10-L12 PolarHBondContact O-N 3.45Å; L10-N29 HydrophobicContact CB-CB 3.63Å; L10-N29 HydrophobicContact CD1-CB 3.79Å; L10-N29 WeakPolarHBondContact CD1-OD1 3.37Å; L10-N29 HydrophobicContact CG-CB 4.37Å
11P91.9Very high77.3Confident57 Ų5770.9 Ų70.937%0.3744%0.435SS..PPolyproline II helixtrans-55.8140.1177.4-2534.2000112.4D392P11-D392 HydrophobicContact CB-CB 3.94Å; P11-D392 HydrophobicContact CG-CB 4.26Å
12L92.4Very high78.8Confident18 Ų1863.5 Ų63.59%0.09442%0.415CS..PPolyproline II helixtrans-76.2142.7172.2-59.6172.8000109.8L10 Y26 T28 I35 L389 L391L10-L12 PolarHBondContact O-N 3.45Å; L12-Y26 HydrophobicContact CB-CD1 4.3Å; L12-Y26 HydrophobicContact CB-CG 4.49Å; L12-T28 HydrophobicContact CD2-CG2 3.89Å; L12-I35 HydrophobicContact CD1-CD1 3.42Å; L12-I35 VanDerWaalsContact CD1-CD1 3.42Å; L12-I35 HydrophobicContact CD2-CD1 3.66Å; L12-I35 HydrophobicContact CG-CD1 4.16Å; L12-L389 HydrophobicContact CD1-CD2 4.43Å; L12-L391 HydrophobicContact CB-CD2 4.43Å; L12-L391 HydrophobicContact CD1-CD2 3.94Å
13R90.5Very high79.6Confident109 Ų10961.9 Ų61.941%0.41140%0.404SS..EExtended strand (participates in β ladder)trans-99.2130.6174.2-61.2176.1-66.6177.30.6109.2Y26 I27 T28R13-Y26 CarbonylContact O-C 3.53Å; R13-Y26 VanDerWaalsContact O-CA 3.26Å; R13-Y26 WeakPolarHBondContact O-CA 3.32Å; R13-I27 HydrophobicContact CB-CG2 3.77Å; R13-I27 PolarHBondContact N-O 3.29Å; R13-I27 PolarHBondContact O-N 3.05Å; R13-T28 PolarHBondContact NH2-O 3.24Å
14E90.9Very high80.4Confident130 Ų13062.7 Ų62.761%0.60741%0.405SS*.EExtended strand (participates in β ladder)trans-74.6134.8173.8-169.6170.8150.300110.4I24 Y26E14-I24 HydrophobicContact CG-CG2 4.03Å; E14-Y26 HydrophobicContact CB-CD1 3.97Å; E14-Y26 HydrophobicContact CB-CE1 3.84Å; E14-Y26 HydrophobicContact CG-CD1 4.33Å; E14-Y26 HydrophobicContact CG-CE1 4Å
15L85.1Confident80.9Confident63 Ų6361.8 Ų61.833%0.3339%0.391SS..EExtended strand (participates in β ladder)trans-100.1134175.1-66.3-179.2000110N17 F25 I27 I34L15-N17 PolarHBondContact O-N 2.85Å; L15-N17 VanDerWaalsContact O-N 3.11Å; L15-F25 HydrophobicContact CB-CB 4.01Å; L15-F25 HydrophobicContact CD1-CB 4.48Å; L15-F25 PolarHBondContact N-O 2.77Å; L15-I27 HydrophobicContact CD1-CB 3.99Å; L15-I27 HydrophobicContact CD1-CD1 4.48Å; L15-I27 HydrophobicContact CD1-CG2 4.38Å; L15-I27 HydrophobicContact CD2-CB 4.31Å; L15-I27 HydrophobicContact CD2-CG2 3.78Å; L15-I27 HydrophobicContact CG-CB 4.09Å; L15-I27 HydrophobicContact CG-CG2 3.99Å; L15-I34 HydrophobicContact CD1-CD1 3.64Å
16S73.6Confident81.3Confident96 Ų9660.5 Ų60.567%0.67137%0.372SS*.  trans-65.2113.6170.971.30000109.6P18S16-P18 WeakPolarHBondContact O-CD 3.47Å
17N69.5Low81.5Confident53 Ų5360 Ų6028%0.28337%0.369SS..  trans-84.2122.5176.3-176.16.9000110.1L15 G19 S23 F25L15-N17 PolarHBondContact O-N 2.85Å; L15-N17 VanDerWaalsContact O-N 3.11Å; N17-G19 PolarHBondContact O-N 3.43Å; N17-G19 WeakPolarHBondContact OD1-CA 3.38Å; N17-G19 PolarHBondContact OD1-N 3.24Å; N17-S23 PolarHBondContact ND2-O 2.91Å; N17-S23 PolarHBondContact ND2-OG 3.37Å; N17-F25 HydrophobicContact CB-CD2 3.91Å; N17-F25 HydrophobicContact CB-CE2 4.34Å; N17-F25 VanDerWaalsContact ND2-CE2 3.34Å; N17-F25 WeakPolarHBondContact ND2-CE2 3.03Å
18P56.1Low81.7Confident77 Ų7759.9 Ų59.950%0.537%0.368SS..  trans-71.8-11.6172.129.6-34.5000113.3S16S16-P18 WeakPolarHBondContact O-CD 3.47Å
19G60.8Low81.8Confident38 Ų3861.8 Ų61.839%0.39238%0.376SS..SBendtrans-80.1154-173.600000115.4N17 S21N17-G19 PolarHBondContact O-N 3.43Å; N17-G19 WeakPolarHBondContact OD1-CA 3.38Å; N17-G19 PolarHBondContact OD1-N 3.24Å; G19-S21 VanDerWaalsContact C-N 3.34Å
20V60Low82Confident153 Ų15361.9 Ų61.993%0.92736%0.363SS*.THydrogen-bonded Turntrans-80.9-11.6-178.1-172.30000112.8G22V20-G22 PolarHBondContact O-N 3.46Å
21S64Low82Confident63 Ų6358.4 Ų58.444%0.44135%0.345SS..THydrogen-bonded Turntrans-69.2-6.3-167.551.80000115.6G19 S23G19-S21 VanDerWaalsContact C-N 3.34Å; S21-S23 PolarHBondContact O-N 3.47Å; S21-S23 VanDerWaalsContact O-N 3.11Å; S21-S23 PolarHBondContact OG-OG 3.05Å
22G73.6Confident81.9Confident67 Ų6759 Ų5969%0.69134%0.342SS*.  trans63.510.7-173.200000113.6V20V20-G22 PolarHBondContact O-N 3.46Å
23S84.2Confident81.9Confident11 Ų1158.8 Ų58.88%0.07734%0.34CS..  trans-76135.3173.557.50000109.6N17 S21 F25 T37N17-S23 PolarHBondContact ND2-O 2.91Å; N17-S23 PolarHBondContact ND2-OG 3.37Å; S21-S23 PolarHBondContact O-N 3.47Å; S21-S23 VanDerWaalsContact O-N 3.11Å; S21-S23 PolarHBondContact OG-OG 3.05Å; S23-F25 WeakPolarHBondContact OG-CE2 3.33Å; S23-T37 WeakPolarHBondContact CA-OG1 3.23Å; S23-T37 VanDerWaalsContact CB-O 3.29Å; S23-T37 WeakPolarHBondContact CB-O 3.46Å
24I89Confident82Confident64 Ų6454.1 Ų54.133%0.32832%0.323SS..  trans-95.5139177-53.8171.5000107.3E14 Y26 T37E14-I24 HydrophobicContact CG-CG2 4.03Å; I24-Y26 HydrophobicContact CB-CE2 4.38Å; I24-Y26 HydrophobicContact CG2-CD2 4.28Å; I24-Y26 HydrophobicContact CG2-CE1 4.33Å; I24-Y26 HydrophobicContact CG2-CE2 3.61Å; I24-T37 HydrophobicContact CB-CG2 3.97Å; I24-T37 PolarHBondContact N-OG1 3.39Å; I24-T37 PolarHBondContact O-N 2.82Å
25F91.9Very high82.2Confident34 Ų3448.1 Ų48.115%0.14930%0.295CS..EExtended strand (participates in β ladder)trans-116.3134.4176.8-75.7-100000108.9L15 N17 S23 I34 I35 K36L15-F25 HydrophobicContact CB-CB 4.01Å; L15-F25 HydrophobicContact CD1-CB 4.48Å; L15-F25 PolarHBondContact N-O 2.77Å; N17-F25 HydrophobicContact CB-CD2 3.91Å; N17-F25 HydrophobicContact CB-CE2 4.34Å; N17-F25 VanDerWaalsContact ND2-CE2 3.34Å; N17-F25 WeakPolarHBondContact ND2-CE2 3.03Å; S23-F25 WeakPolarHBondContact OG-CE2 3.33Å; F25-I34 HydrophobicContact CD1-CG2 3.67Å; F25-I34 HydrophobicContact CE1-CG2 4.26Å; F25-I35 CarbonylContact C-O 3.46Å; F25-I35 WeakPolarHBondContact CA-O 3.5Å; F25-K36 HydrophobicContact CD1-CB 4.08Å; F25-K36 HydrophobicContact CD1-CG 4.12Å; F25-K36 HydrophobicContact CE1-CB 3.9Å; F25-K36 HydrophobicContact CE1-CD 3.58Å; F25-K36 HydrophobicContact CE1-CG 3.64Å; F25-K36 HydrophobicContact CE2-CD 4.27Å; F25-K36 HydrophobicContact CE2-CG 4.16Å; F25-K36 HydrophobicContact CZ-CB 4.45Å; F25-K36 HydrophobicContact CZ-CD 3.44Å; F25-K36 VanDerWaalsContact CZ-CD 3.44Å; F25-K36 VanDerWaalsContact CZ-CE 3.42Å; F25-K36 HydrophobicContact CZ-CG 3.69Å
26Y92.8Very high82.6Confident41 Ų4145.8 Ų45.816%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-118.4155.1167.7-58.3-85.6000109.9L12 R13 E14 I24 I34 I35 L391L12-Y26 HydrophobicContact CB-CD1 4.3Å; L12-Y26 HydrophobicContact CB-CG 4.49Å; R13-Y26 CarbonylContact O-C 3.53Å; R13-Y26 VanDerWaalsContact O-CA 3.26Å; R13-Y26 WeakPolarHBondContact O-CA 3.32Å; E14-Y26 HydrophobicContact CB-CD1 3.97Å; E14-Y26 HydrophobicContact CB-CE1 3.84Å; E14-Y26 HydrophobicContact CG-CD1 4.33Å; E14-Y26 HydrophobicContact CG-CE1 4Å; I24-Y26 HydrophobicContact CB-CE2 4.38Å; I24-Y26 HydrophobicContact CG2-CD2 4.28Å; I24-Y26 HydrophobicContact CG2-CE1 4.33Å; I24-Y26 HydrophobicContact CG2-CE2 3.61Å; Y26-I34 CarbonylContact O-C 3.58Å; Y26-I34 WeakPolarHBondContact O-CA 3.29Å; Y26-I35 PolarHBondContact N-O 2.88Å; Y26-I35 PolarHBondContact O-N 2.92Å; Y26-L391 HydrophobicContact CE1-CD2 4.27Å
27I92.5Very high83.5Confident4 Ų442.5 Ų42.52%0.02126%0.258CS..EExtended strand (participates in β ladder)trans-123.9142.3172.3-167.2165000110R13 L15 D31 F33 I34R13-I27 HydrophobicContact CB-CG2 3.77Å; R13-I27 PolarHBondContact N-O 3.29Å; R13-I27 PolarHBondContact O-N 3.05Å; L15-I27 HydrophobicContact CD1-CB 3.99Å; L15-I27 HydrophobicContact CD1-CD1 4.48Å; L15-I27 HydrophobicContact CD1-CG2 4.38Å; L15-I27 HydrophobicContact CD2-CB 4.31Å; L15-I27 HydrophobicContact CD2-CG2 3.78Å; L15-I27 HydrophobicContact CG-CB 4.09Å; L15-I27 HydrophobicContact CG-CG2 3.99Å; I27-D31 WeakPolarHBondContact CD1-OD1 3.43Å; I27-F33 WeakPolarHBondContact CA-O 3.27Å; I27-I34 HydrophobicContact CB-CD1 3.93Å; I27-I34 HydrophobicContact CD1-CD1 3.81Å; I27-I34 HydrophobicContact CG1-CD1 3.79Å
28T93.2Very high84.5Confident0 Ų040.6 Ų40.60%025%0.249CC..  trans-67.1154.4172.855.80000111S6 L7 L12 R13 D30 D31 K32 F33S6-T28 WeakPolarHBondContact O-CG2 3.38Å; L7-T28 HydrophobicContact CD2-CG2 3.69Å; L7-T28 HydrophobicContact CG-CG2 4.39Å; L12-T28 HydrophobicContact CD2-CG2 3.89Å; R13-T28 PolarHBondContact NH2-O 3.24Å; T28-D30 WeakPolarHBondContact CB-OD1 3.25Å; T28-D30 PolarHBondContact O-N 2.92Å; T28-D30 PolarHBondContact OG1-OD1 2.91Å; T28-D31 PolarHBondContact O-N 2.88Å; T28-K32 PolarHBondContact OG1-N 3Å; T28-F33 HydrophobicContact CG2-CB 3.8Å; T28-F33 HydrophobicContact CG2-CD2 4.12Å; T28-F33 HydrophobicContact CG2-CG 4.47Å; T28-F33 PolarHBondContact N-O 3.38Å; T28-F33 PolarHBondContact OG1-N 2.98Å; T28-F33 VanDerWaalsContact OG1-N 3.12Å
29N91Very high86.2Confident77 Ų7742.3 Ų42.341%0.41225%0.25SC..THydrogen-bonded Turntrans-60.5-35.1-179.7-170.3-88.7000112.1L10 D31L10-N29 HydrophobicContact CB-CB 3.63Å; L10-N29 HydrophobicContact CD1-CB 3.79Å; L10-N29 WeakPolarHBondContact CD1-OD1 3.37Å; L10-N29 HydrophobicContact CG-CB 4.37Å; N29-D31 PolarHBondContact O-N 3.43Å
30D89.4Confident87.6Confident55 Ų5548.3 Ų48.329%0.29426%0.261SS..THydrogen-bonded Turntrans-82.57.6176.773.1-18.5000114.4S6 T28 K32S6-D30 VanDerWaalsContact CB-OD2 3.3Å; S6-D30 WeakPolarHBondContact CB-OD2 3.25Å; S6-D30 PolarHBondContact OG-OD2 2.9Å; T28-D30 WeakPolarHBondContact CB-OD1 3.25Å; T28-D30 PolarHBondContact O-N 2.92Å; T28-D30 PolarHBondContact OG1-OD1 2.91Å; D30-K32 PolarHBondContact O-N 3.42Å; D30-K32 VanDerWaalsContact O-N 3.09Å; D30-K32 WeakPolarHBondContact OD2-CD 3.46Å; D30-K32 VanDerWaalsContact OD2-CE 3.32Å; D30-K32 WeakPolarHBondContact OD2-CE 3.15Å; D30-K32 IonicContact OD2-NZ 3.69Å
31D89.7Confident89Confident16 Ų1647 Ų479%0.08624%0.243CC..SBendtrans66.19.7171.3-164.854.6000115.7I27 T28 N29 N88 P91 S92I27-D31 WeakPolarHBondContact CD1-OD1 3.43Å; T28-D31 PolarHBondContact O-N 2.88Å; N29-D31 PolarHBondContact O-N 3.43Å; D31-N88 VanDerWaalsContact O-CB 3.29Å; D31-N88 WeakPolarHBondContact O-CB 3.37Å; D31-N88 PolarHBondContact O-ND2 3.23Å; D31-N88 PolarHBondContact OD1-ND2 3Å; D31-P91 WeakPolarHBondContact OD2-CA 3.5Å; D31-S92 WeakPolarHBondContact OD1-CB 3.48Å; D31-S92 PolarHBondContact OD1-N 3.2Å; D31-S92 PolarHBondContact OD1-OG 3.48Å; D31-S92 PolarHBondContact OD2-N 2.99Å
32K89.3Confident90.4Very high71 Ų7145.3 Ų45.331%0.30923%0.228SC..  trans-84.2-35.3-175.7-64.6-173.5-167.5171.50114.2T28 D30 N88T28-K32 PolarHBondContact OG1-N 3Å; D30-K32 PolarHBondContact O-N 3.42Å; D30-K32 VanDerWaalsContact O-N 3.09Å; D30-K32 WeakPolarHBondContact OD2-CD 3.46Å; D30-K32 VanDerWaalsContact OD2-CE 3.32Å; D30-K32 WeakPolarHBondContact OD2-CE 3.15Å; D30-K32 IonicContact OD2-NZ 3.69Å; K32-N88 PolarHBondContact O-N 3.45Å
33F92.8Very high91.3Very high12 Ų1242.2 Ų42.25%0.05320%0.196CC..EExtended strand (participates in β ladder)trans-125.2139.9-169.6-53.5-73.7000112C3 L7 I27 T28 F69 V85 M86C3-F33 HydrophobicContact CB-CZ 4.31Å; C3-F33 WeakPolarHBondContact SG-CZ 3.44Å; L7-F33 HydrophobicContact CD2-CB 4.36Å; I27-F33 WeakPolarHBondContact CA-O 3.27Å; T28-F33 HydrophobicContact CG2-CB 3.8Å; T28-F33 HydrophobicContact CG2-CD2 4.12Å; T28-F33 HydrophobicContact CG2-CG 4.47Å; T28-F33 PolarHBondContact N-O 3.38Å; T28-F33 PolarHBondContact OG1-N 2.98Å; T28-F33 VanDerWaalsContact OG1-N 3.12Å; F33-F69 AromaticContact CD1-CD2 3.48Å; F33-F69 HydrophobicContact CD1-CD2 3.48Å; F33-F69 VanDerWaalsContact CD1-CD2 3.48Å; F33-F69 AromaticContact CD1-CE2 3.48Å; F33-F69 HydrophobicContact CD1-CE2 3.48Å; F33-F69 VanDerWaalsContact CD1-CE2 3.48Å; F33-F69 HydrophobicContact CD1-CG 4.49Å; F33-F69 AromaticContact CE1-CD2 3.57Å; F33-F69 HydrophobicContact CE1-CD2 3.57Å; F33-F69 AromaticContact CE1-CE2 3.42Å; F33-F69 HydrophobicContact CE1-CE2 3.42Å; F33-F69 VanDerWaalsContact CE1-CE2 3.42Å; F33-F69 HydrophobicContact CE1-CG 4.28Å; F33-F69 HydrophobicContact CE1-CZ 4.06Å; F33-V85 HydrophobicContact CB-CG1 4.12Å; F33-V85 HydrophobicContact CD1-CG1 4.3Å; F33-V85 HydrophobicContact CG-CG1 4.39Å; F33-M86 WeakPolarHBondContact CA-O 3.41Å
34I93.2Very high91.6Very high12 Ų1244.5 Ų44.56%0.06221%0.207CC..EExtended strand (participates in β ladder)trans-104.5135.1169.3-63.7-67.6000108.3L15 F25 Y26 I27 V85 M86 N88L15-I34 HydrophobicContact CD1-CD1 3.64Å; F25-I34 HydrophobicContact CD1-CG2 3.67Å; F25-I34 HydrophobicContact CE1-CG2 4.26Å; Y26-I34 CarbonylContact O-C 3.58Å; Y26-I34 WeakPolarHBondContact O-CA 3.29Å; I27-I34 HydrophobicContact CB-CD1 3.93Å; I27-I34 HydrophobicContact CD1-CD1 3.81Å; I27-I34 HydrophobicContact CG1-CD1 3.79Å; I34-V85 WeakPolarHBondContact O-CA 3.35Å; I34-M86 HydrophobicContact CB-CG 4.07Å; I34-M86 HydrophobicContact CG2-CG 4.32Å; I34-M86 PolarHBondContact N-O 3.05Å; I34-M86 PolarHBondContact O-N 3.37Å; I34-N88 HydrophobicContact CD1-CB 4.36Å; I34-N88 HydrophobicContact CG1-CB 3.88Å
35I94.1Very high91.7Very high3 Ų342.2 Ų42.22%0.01520%0.195CC..EExtended strand (participates in β ladder)trans-111.7119.9173.1-50.5168.9000107.3L7 L12 F25 Y26 L83 I84 V85L7-I35 HydrophobicContact CD2-CD1 3.69Å; L7-I35 HydrophobicContact CD2-CG1 3.97Å; L12-I35 HydrophobicContact CD1-CD1 3.42Å; L12-I35 VanDerWaalsContact CD1-CD1 3.42Å; L12-I35 HydrophobicContact CD2-CD1 3.66Å; L12-I35 HydrophobicContact CG-CD1 4.16Å; F25-I35 CarbonylContact C-O 3.46Å; F25-I35 WeakPolarHBondContact CA-O 3.5Å; Y26-I35 PolarHBondContact N-O 2.88Å; Y26-I35 PolarHBondContact O-N 2.92Å; I35-L83 HydrophobicContact CG2-CB 4.03Å; I35-L83 HydrophobicContact CG2-CD1 4.25Å; I35-L83 HydrophobicContact CG2-CD2 4.15Å; I35-L83 HydrophobicContact CG2-CG 4.38Å; I35-I84 CarbonylContact C-O 3.52Å; I35-I84 VanDerWaalsContact CA-O 3.3Å; I35-I84 WeakPolarHBondContact CA-O 3.22Å; I35-V85 HydrophobicContact CG1-CG2 4.29Å
36K93.3Very high91.8Very high15 Ų1540.6 Ų40.67%0.06519%0.187CC..EExtended strand (participates in β ladder)trans-113.1130.1-179.8-176.8-179.5-177.7178.90110F25 V38 L83 I84 D260F25-K36 HydrophobicContact CD1-CB 4.08Å; F25-K36 HydrophobicContact CD1-CG 4.12Å; F25-K36 HydrophobicContact CE1-CB 3.9Å; F25-K36 HydrophobicContact CE1-CD 3.58Å; F25-K36 HydrophobicContact CE1-CG 3.64Å; F25-K36 HydrophobicContact CE2-CD 4.27Å; F25-K36 HydrophobicContact CE2-CG 4.16Å; F25-K36 HydrophobicContact CZ-CB 4.45Å; F25-K36 HydrophobicContact CZ-CD 3.44Å; F25-K36 VanDerWaalsContact CZ-CD 3.44Å; F25-K36 VanDerWaalsContact CZ-CE 3.42Å; F25-K36 HydrophobicContact CZ-CG 3.69Å; K36-V38 HydrophobicContact CD-CG1 4.27Å; K36-V38 HydrophobicContact CG-CG1 4.19Å; K36-L83 WeakPolarHBondContact O-CA 3.38Å; K36-I84 PolarHBondContact N-O 3.31Å; K36-I84 PolarHBondContact O-N 2.91Å; K36-D260 IonicContact NZ-OD1 2.76Å; K36-D260 PolarHBondContact NZ-OD1 3.05Å
37T92.4Very high91.7Very high26 Ų2642.9 Ų42.916%0.1620%0.2CC..EExtended strand (participates in β ladder)trans-73.3133.9166.168.10000109.8S23 I24 R82 L83S23-T37 WeakPolarHBondContact CA-OG1 3.23Å; S23-T37 VanDerWaalsContact CB-O 3.29Å; S23-T37 WeakPolarHBondContact CB-O 3.46Å; I24-T37 HydrophobicContact CB-CG2 3.97Å; I24-T37 PolarHBondContact N-OG1 3.39Å; I24-T37 PolarHBondContact O-N 2.82Å; T37-R82 WeakPolarHBondContact CA-O 3.12Å; T37-L83 HydrophobicContact CG2-CD2 3.67Å
38V92Very high91.6Very high13 Ų1350 Ų508%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-128.8152.7-178.3-67.30000112.5K36 E42 A43 L71 R82 I84 L262K36-V38 HydrophobicContact CD-CG1 4.27Å; K36-V38 HydrophobicContact CG-CG1 4.19Å; V38-E42 WeakPolarHBondContact CA-OE2 3.38Å; V38-E42 HydrophobicContact CB-CB 4.05Å; V38-A43 HydrophobicContact CG2-CB 4.26Å; V38-L71 HydrophobicContact CG2-CD1 4.45Å; V38-R82 HydrophobicContact CG2-CB 3.83Å; V38-R82 PolarHBondContact N-O 2.86Å; V38-I84 HydrophobicContact CB-CD1 4.25Å; V38-I84 HydrophobicContact CG1-CD1 3.54Å; V38-I84 HydrophobicContact CG1-CG1 4.11Å; V38-I84 HydrophobicContact CG2-CD1 3.86Å; V38-I84 HydrophobicContact CG2-CG1 3.89Å; V38-L262 HydrophobicContact CG1-CD1 4.31Å
39Q91.1Very high91.5Very high113 Ų11350.1 Ų50.153%0.52823%0.231SC..  trans-73.4158.5174.9-59-176.29.900110.8K41 E42 A43Q39-K41 PolarHBondContact O-N 3.2Å; Q39-E42 HydrophobicContact CB-CG 4.43Å; Q39-E42 PolarHBondContact N-OE2 2.64Å; Q39-E42 PolarHBondContact O-N 2.96Å; Q39-A43 PolarHBondContact O-N 3.48Å
40R90.8Very high91.5Very high165 Ų16548.3 Ų48.362%0.62322%0.221SC*.Hα-helixtrans-50.4-44.6174.6179.6176.3178.9169.53112.2E42 A43 D44R40-E42 VanDerWaalsContact C-N 3.33Å; R40-E42 PolarHBondContact O-N 3.12Å; R40-A43 PolarHBondContact O-N 3.17Å; R40-D44 IonicContact NE-OD2 3.82Å; R40-D44 WeakPolarHBondContact O-CB 3.33Å; R40-D44 PolarHBondContact O-N 3.4Å
41K89.5Confident91.4Very high126 Ų12649.8 Ų49.855%0.54823%0.234SC..Hα-helixtrans-62.5-38.1-179.1-65.2178.8-178.7173.70112.6Q39 F45 L267Q39-K41 PolarHBondContact O-N 3.2Å; K41-F45 VanDerWaalsContact O-CB 3.3Å; K41-F45 WeakPolarHBondContact O-CB 3.5Å; K41-F45 PolarHBondContact O-N 2.74Å; K41-L267 HydrophobicContact CB-CD1 4.31Å; K41-L267 HydrophobicContact CD-CD1 3.99Å; K41-L267 HydrophobicContact CD-CD2 4.17Å
42E91.9Very high91.4Very high27 Ų2749.4 Ų49.413%0.12623%0.234CC..Hα-helixtrans-70.6-41.6177.8-67.5176.9117.700111.1V38 Q39 R40 F45 L46 L262V38-E42 WeakPolarHBondContact CA-OE2 3.38Å; V38-E42 HydrophobicContact CB-CB 4.05Å; Q39-E42 HydrophobicContact CB-CG 4.43Å; Q39-E42 PolarHBondContact N-OE2 2.64Å; Q39-E42 PolarHBondContact O-N 2.96Å; R40-E42 VanDerWaalsContact C-N 3.33Å; R40-E42 PolarHBondContact O-N 3.12Å; E42-F45 PolarHBondContact O-N 3.15Å; E42-L46 PolarHBondContact O-N 3.46Å; E42-L262 HydrophobicContact CB-CB 4.12Å; E42-L262 HydrophobicContact CB-CD1 4.41Å; E42-L262 HydrophobicContact CG-CB 4.23Å
43A92.4Very high91.4Very high2 Ų246.3 Ų46.32%0.01722%0.22CC..Hα-helixtrans-64.8-41.8175.100000112.6V38 Q39 R40 F45 L46 Q47 L71V38-A43 HydrophobicContact CG2-CB 4.26Å; Q39-A43 PolarHBondContact O-N 3.48Å; R40-A43 PolarHBondContact O-N 3.17Å; A43-F45 VanDerWaalsContact C-N 3.26Å; A43-F45 PolarHBondContact O-N 3.35Å; A43-L46 PolarHBondContact O-N 2.99Å; A43-Q47 WeakPolarHBondContact O-CG 3.33Å; A43-Q47 PolarHBondContact O-N 3.41Å; A43-Q47 PolarHBondContact O-NE2 2.9Å; A43-L71 HydrophobicContact CB-CD1 3.93Å; A43-L71 HydrophobicContact CB-CD2 4.18Å
44D91.6Very high91.3Very high59 Ų5951.3 Ų51.332%0.31624%0.24SC..Hα-helixtrans-65.3-32.6174.6-66.4-15.1000111.2R40 K48R40-D44 IonicContact NE-OD2 3.82Å; R40-D44 WeakPolarHBondContact O-CB 3.33Å; R40-D44 PolarHBondContact O-N 3.4Å; D44-K48 WeakPolarHBondContact O-CG 3.4Å
45F91.9Very high91.3Very high15 Ų1555.8 Ų55.87%0.06626%0.262CS..Hα-helixtrans-73.7-43.5175.6-179.7-113.7000112.4K41 E42 A43 Q47 K48 L49 F159 I161 L262 N264K41-F45 VanDerWaalsContact O-CB 3.3Å; K41-F45 WeakPolarHBondContact O-CB 3.5Å; K41-F45 PolarHBondContact O-N 2.74Å; E42-F45 PolarHBondContact O-N 3.15Å; A43-F45 VanDerWaalsContact C-N 3.26Å; A43-F45 PolarHBondContact O-N 3.35Å; F45-Q47 VanDerWaalsContact C-N 3.27Å; F45-Q47 PolarHBondContact O-N 2.93Å; F45-K48 WeakPolarHBondContact O-CB 3.33Å; F45-K48 PolarHBondContact O-N 3.36Å; F45-L49 PolarHBondContact O-N 2.88Å; F45-F159 HydrophobicContact CZ-CB 4.46Å; F45-I161 HydrophobicContact CE1-CD1 3.82Å; F45-I161 HydrophobicContact CE1-CG1 3.76Å; F45-I161 HydrophobicContact CZ-CD1 3.75Å; F45-I161 HydrophobicContact CZ-CG1 3.51Å; F45-L262 HydrophobicContact CD1-CD2 4.37Å; F45-L262 WeakPolarHBondContact CD1-O 3.44Å; F45-N264 HydrophobicContact CD1-CB 4.31Å; F45-N264 HydrophobicContact CD2-CB 3.71Å; F45-N264 VanDerWaalsContact CD2-ND2 3.25Å; F45-N264 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N264 HydrophobicContact CE1-CB 4.28Å; F45-N264 HydrophobicContact CE2-CB 3.68Å; F45-N264 WeakPolarHBondContact CE2-ND2 3.47Å; F45-N264 HydrophobicContact CG-CB 4.03Å; F45-N264 HydrophobicContact CZ-CB 3.97Å
46L93.6Very high91.2Very high0 Ų056.1 Ų56.10%026%0.264CS..Hα-helixtrans-55-45.8175.5175.257.6000110.7E42 A43 K48 L49 L50 F68 L71 I84 L262 L408E42-L46 PolarHBondContact O-N 3.46Å; A43-L46 PolarHBondContact O-N 2.99Å; L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 3.33Å; L46-L49 HydrophobicContact CD1-CD2 4.39Å; L46-L49 WeakPolarHBondContact O-CA 3.28Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.42Å; L46-L50 HydrophobicContact CD1-CD2 4.02Å; L46-L50 HydrophobicContact CG-CD2 4.29Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.29Å; L46-L50 VanDerWaalsContact O-N 3.13Å; L46-F68 HydrophobicContact CD1-CD2 3.61Å; L46-F68 HydrophobicContact CD1-CE2 3.62Å; L46-F68 HydrophobicContact CD1-CG 4.07Å; L46-F68 HydrophobicContact CD1-CZ 4.09Å; L46-F68 HydrophobicContact CD2-CD1 4.42Å; L46-F68 HydrophobicContact CD2-CG 4.44Å; L46-L71 HydrophobicContact CD2-CB 4.35Å; L46-L71 HydrophobicContact CD2-CD1 4.5Å; L46-L71 HydrophobicContact CD2-CD2 4.41Å; L46-I84 HydrophobicContact CD2-CD1 3.65Å; L46-I84 HydrophobicContact CD2-CG1 4.02Å; L46-L262 HydrophobicContact CB-CD2 3.94Å; L46-L262 HydrophobicContact CD1-CD2 4.1Å; L46-L408 HydrophobicContact CD2-CD1 4.26Å
47Q90.9Very high91.1Very high89 Ų8957 Ų5742%0.41627%0.269SS..Hα-helixtrans-56.5-39.1177-74.1173.586.400113A43 F45 L49 L71 L406A43-Q47 WeakPolarHBondContact O-CG 3.33Å; A43-Q47 PolarHBondContact O-N 3.41Å; A43-Q47 PolarHBondContact O-NE2 2.9Å; F45-Q47 VanDerWaalsContact C-N 3.27Å; F45-Q47 PolarHBondContact O-N 2.93Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; Q47-L71 HydrophobicContact CG-CD2 3.92Å; Q47-L406 HydrophobicContact CG-CD2 3.75Å
48K89.4Confident91Very high154 Ų15460.5 Ų60.567%0.6729%0.286SS*.Hα-helixtrans-73-26.4176.3-66.5169.8-175.7172.80113.1D44 F45 L46D44-K48 WeakPolarHBondContact O-CG 3.4Å; F45-K48 WeakPolarHBondContact O-CB 3.33Å; F45-K48 PolarHBondContact O-N 3.36Å; L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 3.33Å
49L90.5Very high91Very high3 Ų366.1 Ų66.12%0.01631%0.312CS..Hα-helixtrans-75.6-28.7178.4177.564.5000112F45 L46 Q47 G52 Y53 F159 I161 I261 L262F45-L49 PolarHBondContact O-N 2.88Å; L46-L49 HydrophobicContact CD1-CD2 4.39Å; L46-L49 WeakPolarHBondContact O-CA 3.28Å; L46-L49 WeakPolarHBondContact O-CB 3.23Å; L46-L49 PolarHBondContact O-N 3.42Å; Q47-L49 VanDerWaalsContact C-N 3.34Å; L49-G52 PolarHBondContact O-N 3.45Å; L49-G52 VanDerWaalsContact O-N 3.16Å; L49-Y53 WeakPolarHBondContact O-CB 3.29Å; L49-Y53 PolarHBondContact O-N 2.86Å; L49-F159 HydrophobicContact CD1-CB 4.2Å; L49-F159 HydrophobicContact CD1-CD1 3.71Å; L49-F159 HydrophobicContact CD1-CD2 3.35Å; L49-F159 HydrophobicContact CD1-CE1 3.86Å; L49-F159 HydrophobicContact CD1-CE2 3.52Å; L49-F159 HydrophobicContact CD1-CG 3.46Å; L49-F159 VanDerWaalsContact CD1-CG 3.46Å; L49-F159 HydrophobicContact CD1-CZ 3.77Å; L49-I161 HydrophobicContact CD1-CD1 4.23Å; L49-I161 HydrophobicContact CD2-CD1 4.5Å; L49-I261 HydrophobicContact CD2-CD1 4.08Å; L49-L262 HydrophobicContact CD2-CD2 4.46Å
50L90.9Very high91Very high38 Ų3861.1 Ų61.120%0.19929%0.289CS..Hα-helixtrans-49.9-46.2-170.3-61.9175000115.3L46 G52 Y53 Y54 L406 L408L46-L50 HydrophobicContact CD1-CD2 4.02Å; L46-L50 HydrophobicContact CG-CD2 4.29Å; L46-L50 WeakPolarHBondContact O-CG 3.29Å; L46-L50 PolarHBondContact O-N 3.29Å; L46-L50 VanDerWaalsContact O-N 3.13Å; L50-G52 PolarHBondContact O-N 3.09Å; L50-Y53 PolarHBondContact O-N 2.99Å; L50-Y54 WeakPolarHBondContact O-CB 3.15Å; L50-Y54 PolarHBondContact O-N 3.06Å; L50-L406 HydrophobicContact CD1-CD2 4.1Å; L50-L408 HydrophobicContact CD1-CD2 3.29Å; L50-L408 HydrophobicContact CD2-CD1 3.98Å; L50-L408 HydrophobicContact CD2-CD2 3.49Å; L50-L408 VanDerWaalsContact CD2-CD2 3.49Å; L50-L408 HydrophobicContact CD2-CG 4.24Å; L50-L408 HydrophobicContact CG-CD2 3.99Å
51P88.9Confident90.9Very high86 Ų8657.5 Ų57.556%0.55829%0.287SS*.Hα-helixtrans-61.8-43.8-178.1-24.135.8000112.6M55P51-M55 WeakPolarHBondContact O-CG 3.44Å; P51-M55 PolarHBondContact O-N 2.75Å; P51-M55 VanDerWaalsContact O-N 3.14Å
52G88.5Confident90.9Very high9 Ų955.1 Ų55.19%0.09328%0.276CS..Hα-helixtrans-75.6-30.4177.500000113.5L49 L50 M55 N56L49-G52 PolarHBondContact O-N 3.45Å; L49-G52 VanDerWaalsContact O-N 3.16Å; L50-G52 PolarHBondContact O-N 3.09Å; G52-M55 PolarHBondContact O-N 3.03Å; G52-N56 WeakPolarHBondContact O-CB 3.31Å; G52-N56 PolarHBondContact O-N 2.69Å
53Y90.9Very high91.1Very high6 Ų653.9 Ų53.92%0.02427%0.271CS..Hα-helixtrans-64.3-43.2171.8174.9-106000111.8L49 L50 N56 L57 L65 P66 K67 F68 F409L49-Y53 WeakPolarHBondContact O-CB 3.29Å; L49-Y53 PolarHBondContact O-N 2.86Å; L50-Y53 PolarHBondContact O-N 2.99Å; Y53-N56 PolarHBondContact O-N 3.07Å; Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.5Å; Y53-L57 HydrophobicContact CE1-CG 4.22Å; Y53-L57 HydrophobicContact CE2-CD1 4.44Å; Y53-L57 HydrophobicContact CE2-CD2 4.39Å; Y53-L57 HydrophobicContact CE2-CG 4.31Å; Y53-L57 PolarHBondContact O-N 2.59Å; Y53-L65 HydrophobicContact CE2-CB 4.37Å; Y53-P66 WeakPolarHBondContact CE2-O 3.4Å; Y53-P66 PolarHBondContact OH-O 2.87Å; Y53-K67 WeakPolarHBondContact OH-CA 3.05Å; Y53-F68 HydrophobicContact CE1-CD2 4.13Å; Y53-F68 HydrophobicContact CE2-CD2 4.25Å; Y53-F68 PolarHBondContact OH-N 3.13Å; Y53-F409 AromaticContact CE1-CZ 3.87Å; Y53-F409 HydrophobicContact CE1-CZ 3.87Å
54Y90.5Very high91.3Very high116 Ų11654.1 Ų54.146%0.45527%0.272SS..Hα-helixtrans-60.4-46.3174179.1-97.5000111.9L50 N56 L57 N58L50-Y54 WeakPolarHBondContact O-CB 3.15Å; L50-Y54 PolarHBondContact O-N 3.06Å; Y54-N56 VanDerWaalsContact C-N 3.31Å; Y54-N56 PolarHBondContact O-N 3Å; Y54-L57 PolarHBondContact O-N 3.44Å; Y54-N58 WeakPolarHBondContact CE1-ND2 3.39Å; Y54-N58 VanDerWaalsContact CZ-ND2 3.34Å; Y54-N58 PolarHBondContact O-N 3.16Å
55M92.3Very high91.5Very high107 Ų10751.5 Ų51.553%0.52726%0.258SS..Hα-helixtrans-58.3-42.7174.3-71.5-171.6-69.300112.2P51 G52 N58 Q59P51-M55 WeakPolarHBondContact O-CG 3.44Å; P51-M55 PolarHBondContact O-N 2.75Å; P51-M55 VanDerWaalsContact O-N 3.14Å; G52-M55 PolarHBondContact O-N 3.03Å; M55-N58 PolarHBondContact O-N 3.17Å; M55-Q59 WeakPolarHBondContact O-CB 3.43Å; M55-Q59 WeakPolarHBondContact O-CG 3.27Å; M55-Q59 PolarHBondContact O-N 3.37Å
56N91.6Very high91.7Very high10 Ų1051 Ų515%0.05326%0.256CS..Hα-helixtrans-63.7-41.3177.9179.763.6000112.4G52 Y53 Y54 N58 Q59 N60 T63 V155G52-N56 WeakPolarHBondContact O-CB 3.31Å; G52-N56 PolarHBondContact O-N 2.69Å; Y53-N56 PolarHBondContact O-N 3.07Å; Y54-N56 VanDerWaalsContact C-N 3.31Å; Y54-N56 PolarHBondContact O-N 3Å; N56-N58 VanDerWaalsContact C-N 3.3Å; N56-N58 PolarHBondContact O-N 2.93Å; N56-Q59 PolarHBondContact O-N 3.37Å; N56-N60 CarbonylContact O-C 3.52Å; N56-N60 WeakPolarHBondContact O-CA 3.43Å; N56-N60 WeakPolarHBondContact O-CB 3.36Å; N56-N60 PolarHBondContact O-N 3.17Å; N56-T63 WeakPolarHBondContact ND2-CB 3.49Å; N56-T63 PolarHBondContact ND2-OG1 2.68Å; N56-V155 HydrophobicContact CB-CG2 4.03Å
57L91Very high91.7Very high33 Ų3352.1 Ų52.117%0.17326%0.261CS..Hα-helixtrans-59.5-41.1177.2-73.4173.7000112.2Y53 Y54 P61 T63 K67 F409Y53-L57 HydrophobicContact CD1-CD1 4.11Å; Y53-L57 HydrophobicContact CE1-CD1 3.5Å; Y53-L57 HydrophobicContact CE1-CG 4.22Å; Y53-L57 HydrophobicContact CE2-CD1 4.44Å; Y53-L57 HydrophobicContact CE2-CD2 4.39Å; Y53-L57 HydrophobicContact CE2-CG 4.31Å; Y53-L57 PolarHBondContact O-N 2.59Å; Y54-L57 PolarHBondContact O-N 3.44Å; L57-P61 WeakPolarHBondContact O-CA 3.48Å; L57-T63 HydrophobicContact CD2-CG2 3.76Å; L57-K67 HydrophobicContact CD2-CD 4.24Å; L57-F409 HydrophobicContact CD1-CE1 3.75Å; L57-F409 HydrophobicContact CD1-CZ 3.59Å
58N91.5Very high91.8Very high99 Ų9948 Ų4853%0.52924%0.242SC..Hα-helixtrans-71.8-34.8178.8-69-19.8000112.7Y54 M55 N56Y54-N58 WeakPolarHBondContact CE1-ND2 3.39Å; Y54-N58 VanDerWaalsContact CZ-ND2 3.34Å; Y54-N58 PolarHBondContact O-N 3.16Å; M55-N58 PolarHBondContact O-N 3.17Å; N56-N58 VanDerWaalsContact C-N 3.3Å; N56-N58 PolarHBondContact O-N 2.93Å
59Q91.3Very high92Very high131 Ų13142.3 Ų42.361%0.61222%0.217SC*.Hα-helixtrans-93.7-17-175.8-66.9-178.9-6.800114.3M55 N56 R151M55-Q59 WeakPolarHBondContact O-CB 3.43Å; M55-Q59 WeakPolarHBondContact O-CG 3.27Å; M55-Q59 PolarHBondContact O-N 3.37Å; N56-Q59 PolarHBondContact O-N 3.37Å; Q59-R151 PolarHBondContact O-NH2 2.76Å
60N90.8Very high92Very high9 Ų942.1 Ų42.15%0.04822%0.216CC..  trans-141.769.5-178.2-169.626.5000108.9N56 K62 T63 D152N56-N60 CarbonylContact O-C 3.52Å; N56-N60 WeakPolarHBondContact O-CA 3.43Å; N56-N60 WeakPolarHBondContact O-CB 3.36Å; N56-N60 PolarHBondContact O-N 3.17Å; N60-K62 PolarHBondContact O-N 3.03Å; N60-T63 WeakPolarHBondContact O-CB 2.8Å; N60-T63 WeakPolarHBondContact O-CG2 3.11Å; N60-T63 PolarHBondContact O-N 3.42Å; N60-D152 PolarHBondContact ND2-OD1 3.37Å
61P89.6Confident92.2Very high89 Ų8940.9 Ų40.958%0.57821%0.209SC*.THydrogen-bonded Turntrans-58.1-27.2-174.722.1-33.7000112.8L57 T63L57-P61 WeakPolarHBondContact O-CA 3.48Å; P61-T63 PolarHBondContact O-N 3.37Å
62K89.4Confident92.4Very high75 Ų7538.1 Ų38.133%0.32619%0.188SC..THydrogen-bonded Turntrans-80.52.6178.8-41.3-166.3175.21800113.7N60 L64 T148 S223N60-K62 PolarHBondContact O-N 3.03Å; K62-L64 PolarHBondContact O-N 3.47Å; K62-T148 HydrophobicContact CB-CG2 4.26Å; K62-T148 WeakPolarHBondContact O-CG2 3.47Å; K62-S223 WeakPolarHBondContact CD-O 3.32Å; K62-S223 WeakPolarHBondContact CE-O 3.32Å; K62-S223 VanDerWaalsContact CG-CB 3.45Å; K62-S223 PolarHBondContact NZ-O 3.39Å
63T95.1Very high92.6Very high2 Ų239.1 Ų39.11%0.01219%0.193CC..  trans-50.4138.4-174.8178.20000112.3N56 L57 N60 P61 L65 K67 D152N56-T63 WeakPolarHBondContact ND2-CB 3.49Å; N56-T63 PolarHBondContact ND2-OG1 2.68Å; L57-T63 HydrophobicContact CD2-CG2 3.76Å; N60-T63 WeakPolarHBondContact O-CB 2.8Å; N60-T63 WeakPolarHBondContact O-CG2 3.11Å; N60-T63 PolarHBondContact O-N 3.42Å; P61-T63 PolarHBondContact O-N 3.37Å; T63-L65 VanDerWaalsContact C-N 3.33Å; T63-L65 WeakPolarHBondContact OG1-CG 3.41Å; T63-L65 PolarHBondContact OG1-N 2.96Å; T63-K67 PolarHBondContact O-NZ 3.22Å; T63-D152 VanDerWaalsContact CB-OD1 3.22Å; T63-D152 WeakPolarHBondContact CB-OD1 3.32Å; T63-D152 PolarHBondContact OG1-OD1 2.74Å; T63-D152 PolarHBondContact OG1-OD2 3.22Å
64L96.6Very high92.6Very high6 Ų641.5 Ų41.53%0.03120%0.203CC..  trans-89.1-0.6178.3-59.2178.6000112.4K62 L145 T148 I149 D152 L166 T220 L256 I258K62-L64 PolarHBondContact O-N 3.47Å; L64-L145 HydrophobicContact CD1-CD1 4.02Å; L64-T148 HydrophobicContact CG-CG2 4.04Å; L64-I149 HydrophobicContact CD1-CD1 4.14Å; L64-I149 HydrophobicContact CD1-CG1 3.48Å; L64-I149 VanDerWaalsContact CD1-CG1 3.48Å; L64-D152 WeakPolarHBondContact CB-OD2 3.49Å; L64-D152 PolarHBondContact N-OD2 2.71Å; L64-L166 HydrophobicContact CD1-CD1 4.44Å; L64-T220 HydrophobicContact CD2-CG2 3.44Å; L64-T220 VanDerWaalsContact CD2-CG2 3.44Å; L64-L256 HydrophobicContact CD1-CD1 3.38Å; L64-L256 HydrophobicContact CD2-CD1 3.58Å; L64-L256 HydrophobicContact CG-CD1 4.07Å; L64-I258 HydrophobicContact CB-CD1 4.49Å; L64-I258 HydrophobicContact CB-CG1 4.2Å; L64-I258 PolarHBondContact O-N 2.82Å
65L96.3Very high92.6Very high5 Ų541.7 Ų41.73%0.02621%0.208CC..SBendtrans-63.4150173.5-60.9-175000110.9Y53 T63 K67 D152 V155 L156 I258 I261Y53-L65 HydrophobicContact CE2-CB 4.37Å; T63-L65 VanDerWaalsContact C-N 3.33Å; T63-L65 WeakPolarHBondContact OG1-CG 3.41Å; T63-L65 PolarHBondContact OG1-N 2.96Å; L65-K67 PolarHBondContact O-N 2.87Å; L65-D152 HydrophobicContact CD2-CB 4.06Å; L65-D152 HydrophobicContact CG-CB 4.16Å; L65-V155 HydrophobicContact CD1-CG1 4.24Å; L65-L156 HydrophobicContact CD2-CD1 3.93Å; L65-L156 HydrophobicContact CD2-CD2 3.89Å; L65-L156 HydrophobicContact CD2-CG 3.98Å; L65-I258 HydrophobicContact CD2-CB 4.29Å; L65-I258 HydrophobicContact CD2-CD1 4.17Å; L65-I258 HydrophobicContact CD2-CG2 4.39Å; L65-I261 HydrophobicContact CD2-CG2 4.39Å
66P95.2Very high92.3Very high4 Ų438.2 Ų38.23%0.02619%0.194CC..  trans-55.7135.4177.9-24.234.6000111.9Y53 F68 M86 I258 I261Y53-P66 WeakPolarHBondContact CE2-O 3.4Å; Y53-P66 PolarHBondContact OH-O 2.87Å; P66-F68 HydrophobicContact CB-CD1 4.46Å; P66-F68 HydrophobicContact CB-CE1 3.94Å; P66-F68 HydrophobicContact CB-CE2 4.41Å; P66-F68 HydrophobicContact CB-CZ 3.92Å; P66-F68 HydrophobicContact CG-CZ 4.29Å; P66-F68 PolarHBondContact O-N 2.83Å; P66-M86 HydrophobicContact CB-CE 4.4Å; P66-M86 HydrophobicContact CB-SD 4.46Å; P66-I258 WeakPolarHBondContact CD-O 3.28Å; P66-I258 VanDerWaalsContact CG-O 3.24Å; P66-I258 WeakPolarHBondContact CG-O 3.45Å; P66-I261 HydrophobicContact CG-CD1 4.22Å; P66-I261 HydrophobicContact CG-CG1 4.14Å
67K93.8Very high92.2Very high23 Ų2344.3 Ų44.310%0.123%0.225CC..  trans-84.996.9175.1-47.3-58178-174.80109.3Y53 L57 T63 L65 F69 M86 N87 F218Y53-K67 WeakPolarHBondContact OH-CA 3.05Å; L57-K67 HydrophobicContact CD2-CD 4.24Å; T63-K67 PolarHBondContact O-NZ 3.22Å; L65-K67 PolarHBondContact O-N 2.87Å; K67-F69 HydrophobicContact CB-CE1 4.19Å; K67-F69 HydrophobicContact CB-CE2 4.38Å; K67-F69 HydrophobicContact CB-CZ 3.87Å; K67-F69 PolarHBondContact O-N 3.36Å; K67-M86 CarbonylContact O-C 3.57Å; K67-M86 WeakPolarHBondContact O-CA 3.41Å; K67-M86 WeakPolarHBondContact O-CB 3.3Å; K67-N87 WeakPolarHBondContact CA-OD1 3.08Å; K67-N87 HydrophobicContact CB-CB 4.01Å; K67-N87 VanDerWaalsContact CB-OD1 3.29Å; K67-N87 WeakPolarHBondContact CB-OD1 3.45Å; K67-N87 HydrophobicContact CG-CB 4.22Å; K67-N87 WeakPolarHBondContact CG-OD1 3.09Å; K67-N87 PolarHBondContact N-OD1 2.83Å; K67-N87 PolarHBondContact O-N 3.48Å; K67-N87 VanDerWaalsContact O-N 3.13Å; K67-F218 HydrophobicContact CG-CD1 4.32Å
68F94.2Very high92.1Very high4 Ų445.5 Ų45.52%0.01825%0.246CC..EExtended strand (participates in β ladder)trans-80.3110.3-179.6-59.1-63.9000112.4L46 Y53 P66 I84 V85 M86 I261 L262 L408 F409L46-F68 HydrophobicContact CD1-CD2 3.61Å; L46-F68 HydrophobicContact CD1-CE2 3.62Å; L46-F68 HydrophobicContact CD1-CG 4.07Å; L46-F68 HydrophobicContact CD1-CZ 4.09Å; L46-F68 HydrophobicContact CD2-CD1 4.42Å; L46-F68 HydrophobicContact CD2-CG 4.44Å; Y53-F68 HydrophobicContact CE1-CD2 4.13Å; Y53-F68 HydrophobicContact CE2-CD2 4.25Å; Y53-F68 PolarHBondContact OH-N 3.13Å; P66-F68 HydrophobicContact CB-CD1 4.46Å; P66-F68 HydrophobicContact CB-CE1 3.94Å; P66-F68 HydrophobicContact CB-CE2 4.41Å; P66-F68 HydrophobicContact CB-CZ 3.92Å; P66-F68 HydrophobicContact CG-CZ 4.29Å; P66-F68 PolarHBondContact O-N 2.83Å; F68-I84 HydrophobicContact CD1-CG2 3.5Å; F68-I84 VanDerWaalsContact CD1-CG2 3.5Å; F68-I84 HydrophobicContact CE1-CG2 3.98Å; F68-V85 CarbonylContact C-O 3.54Å; F68-M86 HydrophobicContact CD1-CB 4.28Å; F68-I261 HydrophobicContact CE2-CD1 3.86Å; F68-I261 HydrophobicContact CE2-CG1 4.46Å; F68-I261 HydrophobicContact CZ-CD1 3.9Å; F68-I261 HydrophobicContact CZ-CG1 4Å; F68-L262 HydrophobicContact CZ-CD2 4.02Å; F68-L262 HydrophobicContact CZ-CG 4.45Å; F68-L408 HydrophobicContact CB-CD1 3.7Å; F68-F409 WeakPolarHBondContact O-CE2 3.23Å
69F92.6Very high91.9Very high33 Ų3348.4 Ų48.415%0.14525%0.254CS..EExtended strand (participates in β ladder)trans-88-24.7-179-58.7-61.3000113.8F33 K67 V85 N87 F218F33-F69 AromaticContact CD1-CD2 3.48Å; F33-F69 HydrophobicContact CD1-CD2 3.48Å; F33-F69 VanDerWaalsContact CD1-CD2 3.48Å; F33-F69 AromaticContact CD1-CE2 3.48Å; F33-F69 HydrophobicContact CD1-CE2 3.48Å; F33-F69 VanDerWaalsContact CD1-CE2 3.48Å; F33-F69 HydrophobicContact CD1-CG 4.49Å; F33-F69 AromaticContact CE1-CD2 3.57Å; F33-F69 HydrophobicContact CE1-CD2 3.57Å; F33-F69 AromaticContact CE1-CE2 3.42Å; F33-F69 HydrophobicContact CE1-CE2 3.42Å; F33-F69 VanDerWaalsContact CE1-CE2 3.42Å; F33-F69 HydrophobicContact CE1-CG 4.28Å; F33-F69 HydrophobicContact CE1-CZ 4.06Å; K67-F69 HydrophobicContact CB-CE1 4.19Å; K67-F69 HydrophobicContact CB-CE2 4.38Å; K67-F69 HydrophobicContact CB-CZ 3.87Å; K67-F69 PolarHBondContact O-N 3.36Å; F69-V85 HydrophobicContact CB-CB 4.45Å; F69-V85 HydrophobicContact CB-CG1 4.19Å; F69-V85 HydrophobicContact CD2-CG1 4.33Å; F69-V85 PolarHBondContact N-O 2.96Å; F69-N87 HydrophobicContact CE2-CB 3.77Å; F69-N87 VanDerWaalsContact CE2-N 3.28Å; F69-N87 HydrophobicContact CZ-CB 4.05Å; F69-F218 HydrophobicContact CE1-CE1 4.28Å; F69-F218 HydrophobicContact CE1-CE2 4.32Å; F69-F218 HydrophobicContact CE1-CZ 4.13Å
70G91.6Very high91.9Very high0 Ų046.5 Ų46.50%025%0.248CC..EExtended strand (participates in β ladder)trans-171.5151.9176.400000113.5I84 V85G70-I84 WeakPolarHBondContact O-CA 3.44Å; G70-V85 PolarHBondContact N-O 3.43Å; G70-V85 PolarHBondContact O-N 2.79Å
71L94.2Very high91.9Very high12 Ų1247.9 Ų47.96%0.06326%0.257CS..EExtended strand (participates in β ladder)trans-117.9121.4170.8173.866.6000108.4V38 A43 L46 Q47 I84 L406V38-L71 HydrophobicContact CG2-CD1 4.45Å; A43-L71 HydrophobicContact CB-CD1 3.93Å; A43-L71 HydrophobicContact CB-CD2 4.18Å; L46-L71 HydrophobicContact CD2-CB 4.35Å; L46-L71 HydrophobicContact CD2-CD1 4.5Å; L46-L71 HydrophobicContact CD2-CD2 4.41Å; Q47-L71 HydrophobicContact CG-CD2 3.92Å; L71-I84 HydrophobicContact CD1-CD1 4.39Å; L71-I84 HydrophobicContact CD1-CG1 3.64Å; L71-L406 HydrophobicContact CD2-CD2 4.45Å; L71-L406 PolarHBondContact N-O 2.77Å; L71-L406 PolarHBondContact O-N 2.86Å; L71-L406 VanDerWaalsContact O-N 3.08Å
72Y93.5Very high92.1Very high28 Ų2845.7 Ų45.711%0.1124%0.237CC..EExtended strand (participates in β ladder)trans-121.7145.8-174.3-53.7-91.5000110.1R82 L83 V85 I405Y72-R82 CarbonylContact O-C 3.59Å; Y72-R82 VanDerWaalsContact O-CA 3.27Å; Y72-R82 WeakPolarHBondContact O-CA 3.18Å; Y72-L83 PolarHBondContact N-O 3.17Å; Y72-L83 PolarHBondContact O-N 3.3Å; Y72-V85 HydrophobicContact CD2-CG2 3.96Å; Y72-V85 HydrophobicContact CE2-CB 4.17Å; Y72-V85 HydrophobicContact CE2-CG2 3.45Å; Y72-V85 VanDerWaalsContact CE2-CG2 3.45Å; Y72-I405 HydrophobicContact CD1-CB 4.4Å; Y72-I405 HydrophobicContact CD1-CD1 4.33Å; Y72-I405 HydrophobicContact CD1-CG1 3.94Å; Y72-I405 HydrophobicContact CD1-CG2 4Å; Y72-I405 HydrophobicContact CE1-CD1 4.36Å; Y72-I405 HydrophobicContact CE1-CG1 4.3Å; Y72-I405 HydrophobicContact CE1-CG2 3.72Å
73C93.2Very high92.4Very high30 Ų3042.7 Ų42.720%0.20322%0.224CC..EExtended strand (participates in β ladder)trans-132.1127.1169.3-171.90000109.2V81 R82 A403 S404C73-V81 WeakPolarHBondContact CA-O 3.22Å; C73-R82 HydrophobicContact CB-CG 4.09Å; C73-A403 WeakPolarHBondContact O-CA 3.42Å; C73-S404 PolarHBondContact N-O 2.57Å; C73-S404 VanDerWaalsContact N-O 3.16Å; C73-S404 PolarHBondContact O-N 3.41Å; C73-S404 VanDerWaalsContact O-N 3.07Å
74Y90.2Very high92.4Very high56 Ų5642.7 Ų42.722%0.2222%0.224CC..EExtended strand (participates in β ladder)trans-127.9154.417374.4-83000110.3V81 L83 L400Y74-V81 HydrophobicContact CD1-CB 3.97Å; Y74-V81 HydrophobicContact CD1-CG1 4.28Å; Y74-V81 HydrophobicContact CE1-CB 3.46Å; Y74-V81 VanDerWaalsContact CE1-CB 3.46Å; Y74-V81 HydrophobicContact CE1-CG1 3.41Å; Y74-V81 VanDerWaalsContact CE1-CG1 3.41Å; Y74-V81 HydrophobicContact CE1-CG2 4.38Å; Y74-V81 HydrophobicContact CE2-CB 4.14Å; Y74-V81 HydrophobicContact CE2-CG2 4.28Å; Y74-V81 HydrophobicContact CG-CB 4.49Å; Y74-V81 PolarHBondContact N-O 2.81Å; Y74-V81 PolarHBondContact O-N 2.65Å; Y74-L83 HydrophobicContact CD1-CD1 4.13Å; Y74-L83 HydrophobicContact CD1-CG 4.41Å; Y74-L83 HydrophobicContact CE1-CD1 3.73Å; Y74-L83 HydrophobicContact CE1-CD2 4.43Å; Y74-L83 HydrophobicContact CE1-CG 3.99Å; Y74-L400 HydrophobicContact CD2-CD2 4.18Å; Y74-L400 HydrophobicContact CG-CD2 4.21Å
75Q90.6Very high92.3Very high120 Ų12042.6 Ų42.656%0.56122%0.224SC*.EExtended strand (participates in β ladder)trans-99.8127.1177.1-165.117611.500109.7K79Q75-K79 CarbonylContact C-O 3.52Å; Q75-K79 WeakPolarHBondContact CA-O 3.34Å
76S85.6Confident92.2Very high33 Ų3343.4 Ų43.423%0.23123%0.228CC..EExtended strand (participates in β ladder)trans-135131.8172.3179.40000109.5G78 K79S76-G78 PolarHBondContact O-N 3.16Å; S76-G78 VanDerWaalsContact O-N 3.16Å; S76-K79 PolarHBondContact N-O 3.5Å; S76-K79 PolarHBondContact O-N 2.92Å
77L90.2Very high92Very high138 Ų13844.3 Ų44.372%0.72323%0.232SC*.THydrogen-bonded Turntrans48.142.2-177.2-57.7-179.2000113.6K79 Y397L77-K79 PolarHBondContact O-N 2.95Å; L77-K79 VanDerWaalsContact O-N 3.16Å; L77-Y397 HydrophobicContact CD1-CE1 4.09Å; L77-Y397 VanDerWaalsContact CD1-OH 3.23Å; L77-Y397 WeakPolarHBondContact CD1-OH 3.35Å; L77-Y397 HydrophobicContact CD2-CE1 4.34Å; L77-Y397 HydrophobicContact CG-CE1 4.04Å
78G87.8Confident92Very high59 Ų5944.7 Ų44.761%0.60824%0.236SC*.THydrogen-bonded Turntrans73.8-3.7-178.300000115.3S76S76-G78 PolarHBondContact O-N 3.16Å; S76-G78 VanDerWaalsContact O-N 3.16Å
79K88.3Confident91.9Very high160 Ų16045.5 Ų45.570%0.69624%0.24SC*.EExtended strand (participates in β ladder)trans-101.6142.9178.7-64.2-179.8-178.7175.20111.1Q75 S76 L77Q75-K79 CarbonylContact C-O 3.52Å; Q75-K79 WeakPolarHBondContact CA-O 3.34Å; S76-K79 PolarHBondContact N-O 3.5Å; S76-K79 PolarHBondContact O-N 2.92Å; L77-K79 PolarHBondContact O-N 2.95Å; L77-K79 VanDerWaalsContact O-N 3.16Å
80N90.7Very high91.9Very high91 Ų9145.1 Ų45.149%0.48724%0.239SC..EExtended strand (participates in β ladder)trans-86.8111.5174.6-73.8-50.6000110.3R82N80-R82 PolarHBondContact O-NH1 3.47Å
81V91.6Very high91.7Very high38 Ų3845.9 Ų45.923%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-96.4129.4173.5-176.50000108.7C73 Y74 L83C73-V81 WeakPolarHBondContact CA-O 3.22Å; Y74-V81 HydrophobicContact CD1-CB 3.97Å; Y74-V81 HydrophobicContact CD1-CG1 4.28Å; Y74-V81 HydrophobicContact CE1-CB 3.46Å; Y74-V81 VanDerWaalsContact CE1-CB 3.46Å; Y74-V81 HydrophobicContact CE1-CG1 3.41Å; Y74-V81 VanDerWaalsContact CE1-CG1 3.41Å; Y74-V81 HydrophobicContact CE1-CG2 4.38Å; Y74-V81 HydrophobicContact CE2-CB 4.14Å; Y74-V81 HydrophobicContact CE2-CG2 4.28Å; Y74-V81 HydrophobicContact CG-CB 4.49Å; Y74-V81 PolarHBondContact N-O 2.81Å; Y74-V81 PolarHBondContact O-N 2.65Å; V81-L83 HydrophobicContact CG1-CD2 4.18Å
82R93.9Very high91.4Very high43 Ų4348.7 Ų48.716%0.16227%0.265CS..EExtended strand (participates in β ladder)trans-114133.4179.6-65172.2-176.8685.8109.8T37 V38 Y72 C73 N80T37-R82 WeakPolarHBondContact CA-O 3.12Å; V38-R82 HydrophobicContact CG2-CB 3.83Å; V38-R82 PolarHBondContact N-O 2.86Å; Y72-R82 CarbonylContact O-C 3.59Å; Y72-R82 VanDerWaalsContact O-CA 3.27Å; Y72-R82 WeakPolarHBondContact O-CA 3.18Å; C73-R82 HydrophobicContact CB-CG 4.09Å; N80-R82 PolarHBondContact O-NH1 3.47Å
83L94.6Very high91Very high11 Ų1151.9 Ų51.96%0.05829%0.287CS..EExtended strand (participates in β ladder)trans-123.5137.9-177.2-56.5177000109.6I35 K36 T37 Y72 Y74 V81 L389I35-L83 HydrophobicContact CG2-CB 4.03Å; I35-L83 HydrophobicContact CG2-CD1 4.25Å; I35-L83 HydrophobicContact CG2-CD2 4.15Å; I35-L83 HydrophobicContact CG2-CG 4.38Å; K36-L83 WeakPolarHBondContact O-CA 3.38Å; T37-L83 HydrophobicContact CG2-CD2 3.67Å; Y72-L83 PolarHBondContact N-O 3.17Å; Y72-L83 PolarHBondContact O-N 3.3Å; Y74-L83 HydrophobicContact CD1-CD1 4.13Å; Y74-L83 HydrophobicContact CD1-CG 4.41Å; Y74-L83 HydrophobicContact CE1-CD1 3.73Å; Y74-L83 HydrophobicContact CE1-CD2 4.43Å; Y74-L83 HydrophobicContact CE1-CG 3.99Å; V81-L83 HydrophobicContact CG1-CD2 4.18Å; L83-L389 HydrophobicContact CD1-CD1 3.87Å
84I94.9Very high90.8Very high2 Ų251.4 Ų51.41%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-111.5131.4166.6-67.6173.2000107.8I35 K36 V38 L46 F68 G70 L71 M86 L262I35-I84 CarbonylContact C-O 3.52Å; I35-I84 VanDerWaalsContact CA-O 3.3Å; I35-I84 WeakPolarHBondContact CA-O 3.22Å; K36-I84 PolarHBondContact N-O 3.31Å; K36-I84 PolarHBondContact O-N 2.91Å; V38-I84 HydrophobicContact CB-CD1 4.25Å; V38-I84 HydrophobicContact CG1-CD1 3.54Å; V38-I84 HydrophobicContact CG1-CG1 4.11Å; V38-I84 HydrophobicContact CG2-CD1 3.86Å; V38-I84 HydrophobicContact CG2-CG1 3.89Å; L46-I84 HydrophobicContact CD2-CD1 3.65Å; L46-I84 HydrophobicContact CD2-CG1 4.02Å; F68-I84 HydrophobicContact CD1-CG2 3.5Å; F68-I84 VanDerWaalsContact CD1-CG2 3.5Å; F68-I84 HydrophobicContact CE1-CG2 3.98Å; G70-I84 WeakPolarHBondContact O-CA 3.44Å; L71-I84 HydrophobicContact CD1-CD1 4.39Å; L71-I84 HydrophobicContact CD1-CG1 3.64Å; I84-M86 HydrophobicContact CG2-CB 4.47Å; I84-L262 HydrophobicContact CD1-CD1 3.28Å
85V95.3Very high90.9Very high5 Ų554 Ų543%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-97.5127.2168-177.90000108L7 F33 I34 I35 F68 F69 G70 Y72L7-V85 HydrophobicContact CD1-CG1 4.15Å; L7-V85 HydrophobicContact CD1-CG2 4.19Å; L7-V85 HydrophobicContact CD2-CG1 4.02Å; L7-V85 HydrophobicContact CD2-CG2 4.23Å; F33-V85 HydrophobicContact CB-CG1 4.12Å; F33-V85 HydrophobicContact CD1-CG1 4.3Å; F33-V85 HydrophobicContact CG-CG1 4.39Å; I34-V85 WeakPolarHBondContact O-CA 3.35Å; I35-V85 HydrophobicContact CG1-CG2 4.29Å; F68-V85 CarbonylContact C-O 3.54Å; F69-V85 HydrophobicContact CB-CB 4.45Å; F69-V85 HydrophobicContact CB-CG1 4.19Å; F69-V85 HydrophobicContact CD2-CG1 4.33Å; F69-V85 PolarHBondContact N-O 2.96Å; G70-V85 PolarHBondContact N-O 3.43Å; G70-V85 PolarHBondContact O-N 2.79Å; Y72-V85 HydrophobicContact CD2-CG2 3.96Å; Y72-V85 HydrophobicContact CE2-CB 4.17Å; Y72-V85 HydrophobicContact CE2-CG2 3.45Å; Y72-V85 VanDerWaalsContact CE2-CG2 3.45Å
86M94Very high91Very high22 Ų2249.2 Ų49.211%0.10827%0.273CS..EExtended strand (participates in β ladder)trans-139.9165.8179.858-175.8-107.700111.9F33 I34 P66 K67 F68 I84F33-M86 WeakPolarHBondContact CA-O 3.41Å; I34-M86 HydrophobicContact CB-CG 4.07Å; I34-M86 HydrophobicContact CG2-CG 4.32Å; I34-M86 PolarHBondContact N-O 3.05Å; I34-M86 PolarHBondContact O-N 3.37Å; P66-M86 HydrophobicContact CB-CE 4.4Å; P66-M86 HydrophobicContact CB-SD 4.46Å; K67-M86 CarbonylContact O-C 3.57Å; K67-M86 WeakPolarHBondContact O-CA 3.41Å; K67-M86 WeakPolarHBondContact O-CB 3.3Å; F68-M86 HydrophobicContact CD1-CB 4.28Å; I84-M86 HydrophobicContact CG2-CB 4.47Å
87N92.3Very high91.4Very high22 Ų2249.2 Ų49.212%0.11827%0.269CS..EExtended strand (participates in β ladder)trans-64.3144.4175.670.5-63.1000111.3K67 F69K67-N87 WeakPolarHBondContact CA-OD1 3.08Å; K67-N87 HydrophobicContact CB-CB 4.01Å; K67-N87 VanDerWaalsContact CB-OD1 3.29Å; K67-N87 WeakPolarHBondContact CB-OD1 3.45Å; K67-N87 HydrophobicContact CG-CB 4.22Å; K67-N87 WeakPolarHBondContact CG-OD1 3.09Å; K67-N87 PolarHBondContact N-OD1 2.83Å; K67-N87 PolarHBondContact O-N 3.48Å; K67-N87 VanDerWaalsContact O-N 3.13Å; F69-N87 HydrophobicContact CE2-CB 3.77Å; F69-N87 VanDerWaalsContact CE2-N 3.28Å; F69-N87 HydrophobicContact CZ-CB 4.05Å
88N92.5Very high91.6Very high32 Ų3244.8 Ų44.817%0.17125%0.245CC..  trans-74.6128.8163.4-173.716.2000109.8D31 K32 I34 L90D31-N88 VanDerWaalsContact O-CB 3.29Å; D31-N88 WeakPolarHBondContact O-CB 3.37Å; D31-N88 PolarHBondContact O-ND2 3.23Å; D31-N88 PolarHBondContact OD1-ND2 3Å; K32-N88 PolarHBondContact O-N 3.45Å; I34-N88 HydrophobicContact CD1-CB 4.36Å; I34-N88 HydrophobicContact CG1-CB 3.88Å; N88-L90 PolarHBondContact ND2-O 3.5Å; N88-L90 PolarHBondContact OD1-N 3.12Å; N88-L90 VanDerWaalsContact OD1-N 3.11Å; N88-L90 PolarHBondContact OD1-O 3.34Å
89I92.1Very high92Very high21 Ų2143.8 Ų43.811%0.10822%0.224CC..SBendtrans-87.9-33.8177.2-64.3163.1000110.4P91 I259I89-P91 WeakPolarHBondContact O-CD 3.45Å; I89-I259 HydrophobicContact CD1-CG2 3.53Å
90L92.2Very high92.4Very high25 Ų2536.3 Ų36.313%0.13119%0.191CC..SBendtrans-110.1102.7-171.4-65.3-168.2000109.6N88 S92 L96 K99 L167 F255N88-L90 PolarHBondContact ND2-O 3.5Å; N88-L90 PolarHBondContact OD1-N 3.12Å; N88-L90 VanDerWaalsContact OD1-N 3.11Å; N88-L90 PolarHBondContact OD1-O 3.34Å; L90-S92 PolarHBondContact O-N 3.02Å; L90-L96 HydrophobicContact CB-CD1 3.73Å; L90-L96 HydrophobicContact CD1-CD1 4.08Å; L90-L96 HydrophobicContact CD2-CD1 4.02Å; L90-L96 HydrophobicContact CG-CD1 4.16Å; L90-K99 HydrophobicContact CD1-CD 3.98Å; L90-K99 HydrophobicContact CD1-CG 4.33Å; L90-L167 HydrophobicContact CD1-CD1 4.05Å; L90-L167 HydrophobicContact CD1-CD2 3.68Å; L90-L167 HydrophobicContact CD1-CG 3.84Å; L90-L167 HydrophobicContact CD2-CD2 4.45Å; L90-L167 HydrophobicContact CD2-CG 4.34Å; L90-L167 HydrophobicContact CG-CD2 3.76Å; L90-L167 HydrophobicContact CG-CG 4.1Å; L90-F255 HydrophobicContact CD2-CB 4.07Å
91P88.6Confident92.6Very high15 Ų1533.1 Ų33.110%0.09717%0.174CC..  trans-65.2130.7-179.927.6-34000110.6D31 I89 T93 I94 P238 F255D31-P91 WeakPolarHBondContact OD2-CA 3.5Å; I89-P91 WeakPolarHBondContact O-CD 3.45Å; P91-T93 VanDerWaalsContact C-N 3.31Å; P91-I94 HydrophobicContact CB-CG1 4.32Å; P91-I94 HydrophobicContact CG-CD1 3.92Å; P91-I94 HydrophobicContact CG-CG1 3.81Å; P91-P238 HydrophobicContact CB-CB 4.24Å; P91-P238 HydrophobicContact CB-CG 3.91Å; P91-P238 HydrophobicContact CG-CG 3.78Å; P91-F255 HydrophobicContact CG-CD1 3.84Å; P91-F255 HydrophobicContact CG-CD2 4.16Å; P91-F255 HydrophobicContact CG-CE1 3.76Å; P91-F255 HydrophobicContact CG-CE2 4.11Å; P91-F255 HydrophobicContact CG-CG 4.04Å; P91-F255 HydrophobicContact CG-CZ 3.91Å
92S87Confident92.9Very high71 Ų7131.3 Ų31.350%0.49716%0.163SC..THydrogen-bonded Turntrans-82-10.4170-46.10000112.3D31 L90 I94D31-S92 WeakPolarHBondContact OD1-CB 3.48Å; D31-S92 PolarHBondContact OD1-N 3.2Å; D31-S92 PolarHBondContact OD1-OG 3.48Å; D31-S92 PolarHBondContact OD2-N 2.99Å; L90-S92 PolarHBondContact O-N 3.02Å; S92-I94 PolarHBondContact O-N 3.26Å
93T85.4Confident92.9Very high95 Ų9531.1 Ų31.158%0.58316%0.164SC*.THydrogen-bonded Turntrans-71.7-11.2178.260.70000113.7P91P91-T93 VanDerWaalsContact C-N 3.31Å
94I88.8Confident92.9Very high21 Ų2131 Ų3111%0.10817%0.165CC..SBendtrans-131.5151176.456.3167.1000110P91 S92 L96 H171 P238 F255P91-I94 HydrophobicContact CB-CG1 4.32Å; P91-I94 HydrophobicContact CG-CD1 3.92Å; P91-I94 HydrophobicContact CG-CG1 3.81Å; S92-I94 PolarHBondContact O-N 3.26Å; I94-L96 HydrophobicContact CD1-CD2 4.26Å; I94-L96 HydrophobicContact CG1-CD2 4.41Å; I94-L96 PolarHBondContact O-N 3.05Å; I94-H171 HydrophobicContact CD1-CB 3.97Å; I94-P238 HydrophobicContact CD1-CG 3.93Å; I94-P238 HydrophobicContact CG1-CG 4.2Å; I94-P238 VanDerWaalsContact CG2-CD 3.48Å; I94-P238 HydrophobicContact CG2-CG 4.27Å; I94-F255 HydrophobicContact CD1-CD2 4.2Å; I94-F255 HydrophobicContact CD1-CE2 3.35Å; I94-F255 HydrophobicContact CD1-CZ 3.78Å
95K92.5Very high92.7Very high111 Ų11132.1 Ų32.148%0.48317%0.173SC..  trans-72.1113175.6-174.5177.2177.9-175.90110.4H97 H171 E179K95-H97 PolarHBondContact O-N 3.03Å; K95-H97 PolarHBondContact O-ND1 3.44Å; K95-H171 PolarHBondContact O-ND1 3.29Å; K95-E179 WeakPolarHBondContact CD-OE2 3.35Å; K95-E179 IonicContact NZ-OE1 3.27Å; K95-E179 PolarHBondContact NZ-OE1 2.91Å; K95-E179 IonicContact NZ-OE2 2.73Å; K95-E179 PolarHBondContact NZ-OE2 2.84Å
96L93.7Very high92.3Very high19 Ų1936.7 Ų36.710%0.09920%0.201CC..  trans-83.2105.8169.1-60.7179.3000108.6L90 I94 Q98 K99 I170 H171 F255L90-L96 HydrophobicContact CB-CD1 3.73Å; L90-L96 HydrophobicContact CD1-CD1 4.08Å; L90-L96 HydrophobicContact CD2-CD1 4.02Å; L90-L96 HydrophobicContact CG-CD1 4.16Å; I94-L96 HydrophobicContact CD1-CD2 4.26Å; I94-L96 HydrophobicContact CG1-CD2 4.41Å; I94-L96 PolarHBondContact O-N 3.05Å; L96-Q98 PolarHBondContact O-N 2.9Å; L96-K99 HydrophobicContact CB-CD 4.49Å; L96-K99 HydrophobicContact CB-CG 4.13Å; L96-K99 HydrophobicContact CD1-CD 4.25Å; L96-K99 HydrophobicContact CD1-CG 4.27Å; L96-I170 CarbonylContact C-O 3.46Å; L96-H171 HydrophobicContact CD2-CB 4.36Å; L96-F255 HydrophobicContact CD2-CD2 4.17Å
97H94Very high91.8Very high33 Ų3342.6 Ų42.615%0.15323%0.228CC..SBendtrans-67.2-31.1-178.8-60.178.3000110.9K95 I170 H171 N172 E175 E179K95-H97 PolarHBondContact O-N 3.03Å; K95-H97 PolarHBondContact O-ND1 3.44Å; H97-I170 PolarHBondContact N-O 3.48Å; H97-H171 AromaticContact CE1-CE1 3.72Å; H97-H171 AromaticContact CE1-ND1 3.54Å; H97-H171 AromaticContact ND1-ND1 3.72Å; H97-N172 HydrophobicContact CB-CB 4.5Å; H97-N172 PolarHBondContact CE1-O 3.47Å; H97-N172 PolarHBondContact ND1-N 3.5Å; H97-E175 IonicContact CD2-OE1 2.79Å; H97-E175 PolarHBondContact CD2-OE1 2.81Å; H97-E175 IonicContact CD2-OE2 2.65Å; H97-E175 IonicContact CG-OE2 2.69Å; H97-E179 IonicContact NE2-OE2 2.81Å
98Q94.6Very high91.6Very high44 Ų4451.3 Ų51.321%0.20626%0.26CS..EExtended strand (participates in β ladder)trans-138.9145.5175.7-50.7-171.3-25.500111.5L96 Y100 Y131 G169 I170L96-Q98 PolarHBondContact O-N 2.9Å; Q98-Y100 HydrophobicContact CB-CD2 4.42Å; Q98-Y100 HydrophobicContact CB-CE2 3.64Å; Q98-Y100 PolarHBondContact OE1-OH 3.48Å; Q98-Y131 VanDerWaalsContact CD-CE2 3.5Å; Q98-Y131 VanDerWaalsContact OE1-CE2 3.26Å; Q98-G169 CarbonylContact O-C 3.57Å; Q98-G169 WeakPolarHBondContact O-CA 3.11Å; Q98-I170 HydrophobicContact CB-CB 4.16Å; Q98-I170 HydrophobicContact CB-CD1 4.42Å; Q98-I170 HydrophobicContact CB-CG1 4.46Å; Q98-I170 PolarHBondContact N-O 3.29Å; Q98-I170 PolarHBondContact O-N 3.38Å
99K95.7Very high91.5Very high38 Ų3850.7 Ų50.717%0.16526%0.255CS..EExtended strand (participates in β ladder)trans-134.1135.2172.6-61.4-179.3-54.2-158.30109.6L90 L96 S120 L123 L168L90-K99 HydrophobicContact CD1-CD 3.98Å; L90-K99 HydrophobicContact CD1-CG 4.33Å; L96-K99 HydrophobicContact CB-CD 4.49Å; L96-K99 HydrophobicContact CB-CG 4.13Å; L96-K99 HydrophobicContact CD1-CD 4.25Å; L96-K99 HydrophobicContact CD1-CG 4.27Å; K99-S120 VanDerWaalsContact CE-O 3.24Å; K99-S120 WeakPolarHBondContact CE-O 3.22Å; K99-S120 WeakPolarHBondContact CE-OG 3.11Å; K99-S120 PolarHBondContact NZ-O 2.83Å; K99-S120 PolarHBondContact NZ-OG 2.91Å; K99-L123 VanDerWaalsContact O-CB 3.29Å; K99-L123 WeakPolarHBondContact O-CB 3.31Å; K99-L123 PolarHBondContact O-N 3.05Å; K99-L168 CarbonylContact C-O 3.59Å; K99-L168 VanDerWaalsContact CA-O 3.25Å; K99-L168 WeakPolarHBondContact CA-O 3.44Å
100Y96.1Very high91.6Very high3 Ų354.2 Ų54.21%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-130.4136178.3-59.2-91.9000111.5Q98 L102 L123 L128 L167 L168 I170Q98-Y100 HydrophobicContact CB-CD2 4.42Å; Q98-Y100 HydrophobicContact CB-CE2 3.64Å; Q98-Y100 PolarHBondContact OE1-OH 3.48Å; Y100-L102 HydrophobicContact CD1-CD2 4.46Å; Y100-L102 HydrophobicContact CG-CD2 4.44Å; Y100-L123 CarbonylContact C-O 3.6Å; Y100-L123 VanDerWaalsContact CA-O 3.29Å; Y100-L123 WeakPolarHBondContact CA-O 3.41Å; Y100-L123 HydrophobicContact CD1-CB 3.46Å; Y100-L123 VanDerWaalsContact CD1-CB 3.46Å; Y100-L123 HydrophobicContact CD1-CD1 4.36Å; Y100-L123 HydrophobicContact CE1-CB 3.59Å; Y100-L123 HydrophobicContact CE1-CD1 3.67Å; Y100-L123 HydrophobicContact CE1-CG 4.29Å; Y100-L123 HydrophobicContact CG-CB 4.25Å; Y100-L128 HydrophobicContact CD1-CB 3.81Å; Y100-L128 HydrophobicContact CD1-CD1 3.98Å; Y100-L128 HydrophobicContact CD1-CG 4.44Å; Y100-L128 HydrophobicContact CD2-CD1 4.18Å; Y100-L128 HydrophobicContact CE1-CB 3.78Å; Y100-L128 HydrophobicContact CE1-CD1 3.68Å; Y100-L128 HydrophobicContact CE1-CG 4.35Å; Y100-L128 HydrophobicContact CE2-CD1 3.88Å; Y100-L128 HydrophobicContact CG-CD1 4.23Å; Y100-L167 CarbonylContact O-C 3.59Å; Y100-L167 WeakPolarHBondContact O-CA 3.48Å; Y100-L168 HydrophobicContact CD2-CD2 4.25Å; Y100-L168 PolarHBondContact N-O 2.93Å; Y100-L168 PolarHBondContact O-N 3Å; Y100-I170 HydrophobicContact CD2-CD1 4.29Å; Y100-I170 HydrophobicContact CE2-CD1 3.86Å
101D95.4Very high91.7Very high25 Ų2553.3 Ų53.313%0.13426%0.263CS..EExtended strand (participates in β ladder)trans-100.1114.1161.3173.5-73.1000107.1R109 T122 L123 K124 S165D101-R109 VanDerWaalsContact C-NH2 3.34Å; D101-R109 PolarHBondContact O-NH2 3.12Å; D101-R109 IonicContact OD1-CZ 3.97Å; D101-R109 VanDerWaalsContact OD1-CZ 3.27Å; D101-R109 IonicContact OD1-NH1 3.89Å; D101-R109 PolarHBondContact OD1-NH1 3Å; D101-R109 IonicContact OD1-NH2 2.65Å; D101-R109 PolarHBondContact OD1-NH2 3.25Å; D101-T122 HydrophobicContact CB-CG2 4.09Å; D101-L123 PolarHBondContact N-O 2.89Å; D101-K124 WeakPolarHBondContact O-CA 3.35Å; D101-S165 PolarHBondContact OD1-OG 2.55Å; D101-S165 VanDerWaalsContact OD2-CB 3.23Å; D101-S165 WeakPolarHBondContact OD2-CB 3.34Å; D101-S165 PolarHBondContact OD2-OG 3.14Å
102L96.3Very high91.8Very high0 Ų055.5 Ų55.50%028%0.279CS..EExtended strand (participates in β ladder)trans-118130-172.5-57175.5000111.2Y100 L128 S165 L166 L168 F300 L301 A305Y100-L102 HydrophobicContact CD1-CD2 4.46Å; Y100-L102 HydrophobicContact CG-CD2 4.44Å; L102-L128 HydrophobicContact CD1-CD2 3.71Å; L102-L128 HydrophobicContact CD2-CB 4.15Å; L102-L128 HydrophobicContact CD2-CD2 3.74Å; L102-L128 HydrophobicContact CG-CD2 4.39Å; L102-S165 CarbonylContact O-C 3.23Å; L102-S165 WeakPolarHBondContact O-CA 3.35Å; L102-L166 HydrophobicContact CB-CB 4.37Å; L102-L166 PolarHBondContact N-O 3.38Å; L102-L166 PolarHBondContact O-N 2.93Å; L102-L168 HydrophobicContact CD1-CD2 4.28Å; L102-F300 HydrophobicContact CB-CE1 4.07Å; L102-F300 HydrophobicContact CD1-CE1 4.29Å; L102-F300 HydrophobicContact CD2-CE1 4.05Å; L102-F300 HydrophobicContact CD2-CZ 4.36Å; L102-F300 HydrophobicContact CG-CE1 4.36Å; L102-L301 HydrophobicContact CB-CD2 4.5Å; L102-L301 HydrophobicContact CD1-CD2 4.19Å; L102-A305 HydrophobicContact CD1-CB 4.2Å
103K95.3Very high92.1Very high38 Ų3861.1 Ų61.117%0.16529%0.294CS..  trans-121.9-7.8-179.8-72.6-167.7-177.3-162.10114.2S105 D125 D163 S165K103-S105 VanDerWaalsContact C-N 3.34Å; K103-D125 PolarHBondContact N-OD1 3.49Å; K103-D125 PolarHBondContact N-OD2 3.26Å; K103-D163 VanDerWaalsContact CE-O 3.22Å; K103-D163 WeakPolarHBondContact CE-O 3.43Å; K103-D163 PolarHBondContact NZ-O 3.2Å; K103-S165 WeakPolarHBondContact CE-OG 3.3Å; K103-S165 WeakPolarHBondContact CG-OG 3.42Å
104G93.3Very high92.4Very high9 Ų966.1 Ų66.19%0.09330%0.304CS..SBendtrans70.825.9-170.600000114D125 R296 F300G104-D125 WeakPolarHBondContact CA-OD1 3.37Å; G104-D125 PolarHBondContact N-OD1 3.03Å; G104-R296 WeakPolarHBondContact O-CD 3.39Å; G104-R296 WeakPolarHBondContact O-CG 3.48Å; G104-R296 PolarHBondContact O-NE 3.23Å; G104-F300 VanDerWaalsContact CA-CB 3.42Å; G104-F300 VanDerWaalsContact CA-CG 3.41Å
105S91.6Very high92.5Very high26 Ų2665.8 Ų65.818%0.18230%0.302CS..  trans-123.9169.2178.759.50000110.9K103 R109 D125K103-S105 VanDerWaalsContact C-N 3.34Å; S105-R109 WeakPolarHBondContact O-CB 3.21Å; S105-R109 WeakPolarHBondContact O-CG 3.42Å; S105-R109 WeakPolarHBondContact OG-CD 3.2Å; S105-R109 VanDerWaalsContact OG-CG 3.31Å; S105-R109 WeakPolarHBondContact OG-CG 3.46Å; S105-D125 PolarHBondContact N-OD1 3.05Å; S105-D125 VanDerWaalsContact N-OD1 3.14Å; S105-D125 WeakPolarHBondContact O-CB 3.39Å
106T86Confident92.5Very high101 Ų10165.5 Ų65.562%0.6230%0.298SS*.  trans-112.9-32.1-177.252.80000112.8R108 R109 L126T106-R108 PolarHBondContact O-N 3.33Å; T106-R109 PolarHBondContact O-N 3.28Å; T106-L126 HydrophobicContact CG2-CD2 4.22Å
107H85.2Confident92.5Very high145 Ų14568.8 Ų68.867%0.67133%0.327SS*.THydrogen-bonded Turntrans-69.1121.5-176.1-169.478.3000112.4R109H107-R109 WeakPolarHBondContact O-CG 3.35Å; H107-R109 PolarHBondContact O-N 3.07Å
108R86.7Confident92.4Very high205 Ų20570.9 Ų70.977%0.77434%0.336SS*.THydrogen-bonded Turntrans55.228.8-176-62.4177.6-176.8-164.5-2.2113.8T106 R110T106-R108 PolarHBondContact O-N 3.33Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R108-R110 PolarHBondContact O-N 3.06Å
109R91.8Very high92.1Very high20 Ų2078.3 Ų78.38%0.07537%0.371CS..  trans-100.538.5179.3-57.9-53-62.5172-0.5113D101 S105 T106 H107 K124 D125 L126D101-R109 VanDerWaalsContact C-NH2 3.34Å; D101-R109 PolarHBondContact O-NH2 3.12Å; D101-R109 IonicContact OD1-CZ 3.97Å; D101-R109 VanDerWaalsContact OD1-CZ 3.27Å; D101-R109 IonicContact OD1-NH1 3.89Å; D101-R109 PolarHBondContact OD1-NH1 3Å; D101-R109 IonicContact OD1-NH2 2.65Å; D101-R109 PolarHBondContact OD1-NH2 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.21Å; S105-R109 WeakPolarHBondContact O-CG 3.42Å; S105-R109 WeakPolarHBondContact OG-CD 3.2Å; S105-R109 VanDerWaalsContact OG-CG 3.31Å; S105-R109 WeakPolarHBondContact OG-CG 3.46Å; T106-R109 PolarHBondContact O-N 3.28Å; H107-R109 WeakPolarHBondContact O-CG 3.35Å; H107-R109 PolarHBondContact O-N 3.07Å; R109-K124 VanDerWaalsContact C-CB 3.4Å; R109-K124 HydrophobicContact CB-CB 4.48Å; R109-K124 CarbonylContact O-C 3.54Å; R109-K124 WeakPolarHBondContact O-CB 3.16Å; R109-D125 HydrophobicContact CB-CB 3.86Å; R109-D125 IonicContact CZ-OD2 2.55Å; R109-D125 IonicContact NE-OD2 2.71Å; R109-D125 PolarHBondContact NE-OD2 2.75Å; R109-D125 IonicContact NH2-OD2 3.94Å; R109-D125 PolarHBondContact NH2-OD2 3.28Å; R109-D125 PolarHBondContact O-N 3.09Å; R109-L126 HydrophobicContact CB-CG 4.34Å; R109-L126 VanDerWaalsContact O-CB 3.28Å; R109-L126 WeakPolarHBondContact O-CB 3.28Å; R109-L126 WeakPolarHBondContact O-CG 3.13Å; R109-L126 PolarHBondContact O-N 3.05Å
110R94.2Very high91.7Very high94 Ų9478.7 Ų78.736%0.35538%0.378SS..SBendtrans-121140.4167.7-170.1175.7-72.9-91.512.1108.7R108 R116 L126 D127 E130R108-R110 VanDerWaalsContact C-N 3.34Å; R108-R110 PolarHBondContact O-N 3.06Å; R110-R116 VanDerWaalsContact CG-NH2 3.26Å; R110-L126 HydrophobicContact CB-CB 4.34Å; R110-L126 HydrophobicContact CB-CD1 4.24Å; R110-D127 WeakPolarHBondContact CG-OD1 3.5Å; R110-D127 IonicContact NH1-OD1 3.17Å; R110-E130 IonicContact CZ-OE1 2.64Å; R110-E130 IonicContact CZ-OE2 4Å; R110-E130 IonicContact NH1-OE1 3.55Å; R110-E130 PolarHBondContact NH1-OE1 2.99Å; R110-E130 IonicContact NH1-OE2 2.77Å; R110-E130 PolarHBondContact NH1-OE2 3.12Å; R110-E130 IonicContact NH2-OE1 3.48Å; R110-E130 PolarHBondContact NH2-OE1 2.84Å
111A92.8Very high91.6Very high7 Ų780 Ų806%0.05839%0.387CS..  trans-58.7142.917400000111E115 R116 L123 D127A111-E115 HydrophobicContact CB-CB 4.38Å; A111-E115 HydrophobicContact CB-CG 4.36Å; A111-R116 HydrophobicContact CB-CG 3.72Å; A111-L123 HydrophobicContact CB-CD2 4.13Å; A111-D127 PolarHBondContact N-OD2 3.23Å
112S92.3Very high91.5Very high60 Ų6080.1 Ų80.142%0.4239%0.389SS..  trans-70.1162.3178.170.40000110.4Y114 E115 R116S112-Y114 PolarHBondContact O-N 3.07Å; S112-E115 PolarHBondContact O-N 3.36Å; S112-E115 WeakPolarHBondContact OG-CB 3.44Å; S112-E115 PolarHBondContact OG-N 2.85Å; S112-E115 VanDerWaalsContact OG-N 3.08Å; S112-R116 WeakPolarHBondContact O-CG 3.04Å; S112-R116 PolarHBondContact O-N 3.23Å
113K93.1Very high91.5Very high189 Ų18981.6 Ų81.682%0.82240%0.397SS*.Hα-helixtrans-56.1-40.5173.8-66.3-174.6178.9-176.80111.7A117K113-A117 PolarHBondContact O-N 2.55Å
114Y90.4Very high91.5Very high201 Ų20182.7 Ų82.779%0.78840%0.401SS*.Hα-helixtrans-65.7-41.1177.2-61.6-77.6000112.9S112 A117S112-Y114 PolarHBondContact O-N 3.07Å; Y114-A117 PolarHBondContact O-N 2.9Å
115E92.3Very high91.6Very high14 Ų1482.3 Ų82.37%0.06540%0.397CS..Hα-helixtrans-67.4-42.3178.7-174.762.8-164.800111.3A111 S112 A117 K118 P121 T122A111-E115 HydrophobicContact CB-CB 4.38Å; A111-E115 HydrophobicContact CB-CG 4.36Å; S112-E115 PolarHBondContact O-N 3.36Å; S112-E115 WeakPolarHBondContact OG-CB 3.44Å; S112-E115 PolarHBondContact OG-N 2.85Å; S112-E115 VanDerWaalsContact OG-N 3.08Å; E115-A117 PolarHBondContact O-N 2.82Å; E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 PolarHBondContact O-N 3.28Å; E115-K118 IonicContact OE1-NZ 3.86Å; E115-K118 VanDerWaalsContact OE2-CE 3.25Å; E115-K118 WeakPolarHBondContact OE2-CE 3.33Å; E115-K118 IonicContact OE2-NZ 2.7Å; E115-K118 PolarHBondContact OE2-NZ 3.22Å; E115-P121 VanDerWaalsContact O-CB 3.26Å; E115-P121 WeakPolarHBondContact O-CB 3.2Å; E115-T122 WeakPolarHBondContact CG-O 3.37Å; E115-T122 WeakPolarHBondContact OE1-CA 3.37Å; E115-T122 WeakPolarHBondContact OE1-CB 3.46Å; E115-T122 PolarHBondContact OE1-N 2.99Å; E115-T122 PolarHBondContact OE1-OG1 2.74Å
116R92.7Very high91.7Very high105 Ų10583.1 Ų83.140%0.39640%0.399SS..Hα-helixtrans-66.3-19.1178.4-72.4173.7168.8-173.2-12.3114.2R110 A111 S112 K118 D127R110-R116 VanDerWaalsContact CG-NH2 3.26Å; A111-R116 HydrophobicContact CB-CG 3.72Å; S112-R116 WeakPolarHBondContact O-CG 3.04Å; S112-R116 PolarHBondContact O-N 3.23Å; R116-K118 VanDerWaalsContact C-N 3.31Å; R116-D127 IonicContact CZ-OD1 2.68Å; R116-D127 IonicContact NE-OD1 3.44Å; R116-D127 IonicContact NH2-OD1 3.09Å; R116-D127 PolarHBondContact NH2-OD1 3.09Å
117A93Very high92.1Very high87 Ų8778.8 Ų78.872%0.71937%0.372SS*.THydrogen-bonded Turntrans-82.2-10.1177.200000113.1K113 Y114 E115K113-A117 PolarHBondContact O-N 2.55Å; Y114-A117 PolarHBondContact O-N 2.9Å; E115-A117 PolarHBondContact O-N 2.82Å
118K90.9Very high92.5Very high77 Ų7772.4 Ų72.434%0.33534%0.343SS..SBendtrans-73.3151.9175.3-63.1178.4178.6172.90110.4E115 R116 S120 P121E115-K118 WeakPolarHBondContact O-CB 3.47Å; E115-K118 PolarHBondContact O-N 3.28Å; E115-K118 IonicContact OE1-NZ 3.86Å; E115-K118 VanDerWaalsContact OE2-CE 3.25Å; E115-K118 WeakPolarHBondContact OE2-CE 3.33Å; E115-K118 IonicContact OE2-NZ 2.7Å; E115-K118 PolarHBondContact OE2-NZ 3.22Å; R116-K118 VanDerWaalsContact C-N 3.31Å; K118-S120 VanDerWaalsContact C-N 3.26Å; K118-S120 PolarHBondContact O-N 2.82Å; K118-P121 WeakPolarHBondContact O-CD 3.09Å
119E88.3Confident92.7Very high201 Ų20167.5 Ų67.594%0.93933%0.331SS*.SBendtrans-57.4-39.1175-173.6-174.8175.300112.4
120S89.1Confident92.5Very high45 Ų4571.6 Ų71.632%0.31535%0.351SS..SBendtrans-125.282.7177.1-172.50000109.7K99 K118K99-S120 VanDerWaalsContact CE-O 3.24Å; K99-S120 WeakPolarHBondContact CE-O 3.22Å; K99-S120 WeakPolarHBondContact CE-OG 3.11Å; K99-S120 PolarHBondContact NZ-O 2.83Å; K99-S120 PolarHBondContact NZ-OG 2.91Å; K118-S120 VanDerWaalsContact C-N 3.26Å; K118-S120 PolarHBondContact O-N 2.82Å
121P93Very high92Very high32 Ų3268.7 Ų68.721%0.20834%0.341CS..  trans-73.6148-174.831.5-36000111.9E115 K118 L123E115-P121 VanDerWaalsContact O-CB 3.26Å; E115-P121 WeakPolarHBondContact O-CB 3.2Å; K118-P121 WeakPolarHBondContact O-CD 3.09Å; P121-L123 HydrophobicContact CB-CD2 4.29Å; P121-L123 HydrophobicContact CG-CD2 4.27Å
122T93.9Very high91.3Very high27 Ų2776.9 Ų76.917%0.16638%0.375CS..EExtended strand (participates in β ladder)trans-94.4100.3169-44.30000109.4D101 E115D101-T122 HydrophobicContact CB-CG2 4.09Å; E115-T122 WeakPolarHBondContact CG-O 3.37Å; E115-T122 WeakPolarHBondContact OE1-CA 3.37Å; E115-T122 WeakPolarHBondContact OE1-CB 3.46Å; E115-T122 PolarHBondContact OE1-N 2.99Å; E115-T122 PolarHBondContact OE1-OG1 2.74Å
123L95.2Very high90.6Very high31 Ų3176.2 Ų76.216%0.16237%0.367CS..EExtended strand (participates in β ladder)trans-76.6167.8179.4-58.2179.8000111.4K99 Y100 D101 A111 P121 D127K99-L123 VanDerWaalsContact O-CB 3.29Å; K99-L123 WeakPolarHBondContact O-CB 3.31Å; K99-L123 PolarHBondContact O-N 3.05Å; Y100-L123 CarbonylContact C-O 3.6Å; Y100-L123 VanDerWaalsContact CA-O 3.29Å; Y100-L123 WeakPolarHBondContact CA-O 3.41Å; Y100-L123 HydrophobicContact CD1-CB 3.46Å; Y100-L123 VanDerWaalsContact CD1-CB 3.46Å; Y100-L123 HydrophobicContact CD1-CD1 4.36Å; Y100-L123 HydrophobicContact CE1-CB 3.59Å; Y100-L123 HydrophobicContact CE1-CD1 3.67Å; Y100-L123 HydrophobicContact CE1-CG 4.29Å; Y100-L123 HydrophobicContact CG-CB 4.25Å; D101-L123 PolarHBondContact N-O 2.89Å; A111-L123 HydrophobicContact CB-CD2 4.13Å; P121-L123 HydrophobicContact CB-CD2 4.29Å; P121-L123 HydrophobicContact CG-CD2 4.27Å; L123-D127 HydrophobicContact CB-CB 3.78Å; L123-D127 HydrophobicContact CD1-CB 4.44Å; L123-D127 HydrophobicContact CD2-CB 4.24Å; L123-D127 HydrophobicContact CG-CB 4.37Å
124K95.8Very high90.2Very high61 Ų6168.2 Ų68.227%0.26534%0.338SS..  trans-130.1-174.9-178.4-65.1-176.6-174.1169.60112.1D101 R109 L126 D127 L128D101-K124 WeakPolarHBondContact O-CA 3.35Å; R109-K124 VanDerWaalsContact C-CB 3.4Å; R109-K124 HydrophobicContact CB-CB 4.48Å; R109-K124 CarbonylContact O-C 3.54Å; R109-K124 WeakPolarHBondContact O-CB 3.16Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3Å; K124-D127 PolarHBondContact N-OD2 3.35Å; K124-D127 WeakPolarHBondContact O-CA 3.42Å; K124-D127 WeakPolarHBondContact O-CB 3.43Å; K124-D127 PolarHBondContact O-N 3.2Å; K124-L128 PolarHBondContact O-N 3.41Å
125D95.1Very high90.4Very high1 Ų158.8 Ų58.81%0.00530%0.301CS..Hα-helixtrans-52.9-44.2-172.4-48-134.2000113.4K103 G104 S105 R109 D127 L128 L129 F300K103-D125 PolarHBondContact N-OD1 3.49Å; K103-D125 PolarHBondContact N-OD2 3.26Å; G104-D125 WeakPolarHBondContact CA-OD1 3.37Å; G104-D125 PolarHBondContact N-OD1 3.03Å; S105-D125 PolarHBondContact N-OD1 3.05Å; S105-D125 VanDerWaalsContact N-OD1 3.14Å; S105-D125 WeakPolarHBondContact O-CB 3.39Å; R109-D125 HydrophobicContact CB-CB 3.86Å; R109-D125 IonicContact CZ-OD2 2.55Å; R109-D125 IonicContact NE-OD2 2.71Å; R109-D125 PolarHBondContact NE-OD2 2.75Å; R109-D125 IonicContact NH2-OD2 3.94Å; R109-D125 PolarHBondContact NH2-OD2 3.28Å; R109-D125 PolarHBondContact O-N 3.09Å; D125-D127 VanDerWaalsContact C-N 3.33Å; D125-L128 PolarHBondContact O-N 3.03Å; D125-L129 WeakPolarHBondContact O-CG 3.48Å; D125-L129 PolarHBondContact O-N 3.19Å; D125-L129 VanDerWaalsContact O-N 3.12Å; D125-F300 HydrophobicContact CB-CE2 4.17Å; D125-F300 HydrophobicContact CB-CZ 3.8Å
126L94.2Very high90.5Very high42 Ų4260.1 Ų60.122%0.2231%0.308CS..Hα-helixtrans-72.2-28.3179.6-61.5-178.5000112.6T106 R109 R110 K124 L129 E130T106-L126 HydrophobicContact CG2-CD2 4.22Å; R109-L126 HydrophobicContact CB-CG 4.34Å; R109-L126 VanDerWaalsContact O-CB 3.28Å; R109-L126 WeakPolarHBondContact O-CB 3.28Å; R109-L126 WeakPolarHBondContact O-CG 3.13Å; R109-L126 PolarHBondContact O-N 3.05Å; R110-L126 HydrophobicContact CB-CB 4.34Å; R110-L126 HydrophobicContact CB-CD1 4.24Å; K124-L126 VanDerWaalsContact C-N 3.33Å; K124-L126 PolarHBondContact O-N 3Å; L126-L129 HydrophobicContact CD2-CD1 3.95Å; L126-E130 PolarHBondContact O-N 2.82Å
127D94.8Very high90.6Very high10 Ų1055.1 Ų55.15%0.05329%0.29CS..Hα-helixtrans-72.1-37174.2-55.5-62.3000110.3R110 A111 R116 L123 K124 D125 L129 E130 Y131R110-D127 WeakPolarHBondContact CG-OD1 3.5Å; R110-D127 IonicContact NH1-OD1 3.17Å; A111-D127 PolarHBondContact N-OD2 3.23Å; R116-D127 IonicContact CZ-OD1 2.68Å; R116-D127 IonicContact NE-OD1 3.44Å; R116-D127 IonicContact NH2-OD1 3.09Å; R116-D127 PolarHBondContact NH2-OD1 3.09Å; L123-D127 HydrophobicContact CB-CB 3.78Å; L123-D127 HydrophobicContact CD1-CB 4.44Å; L123-D127 HydrophobicContact CD2-CB 4.24Å; L123-D127 HydrophobicContact CG-CB 4.37Å; K124-D127 PolarHBondContact N-OD2 3.35Å; K124-D127 WeakPolarHBondContact O-CA 3.42Å; K124-D127 WeakPolarHBondContact O-CB 3.43Å; K124-D127 PolarHBondContact O-N 3.2Å; D125-D127 VanDerWaalsContact C-N 3.33Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 2.85Å; D127-E130 PolarHBondContact O-N 2.84Å; D127-Y131 PolarHBondContact O-N 3.24Å
128L93.4Very high90.6Very high11 Ų1153.2 Ų53.26%0.05827%0.267CS..Hα-helixtrans-65.7-35.7174.5-172.668.7000111.9Y100 L102 K124 D125 E130 Y131 I135 F300 A305Y100-L128 HydrophobicContact CD1-CB 3.81Å; Y100-L128 HydrophobicContact CD1-CD1 3.98Å; Y100-L128 HydrophobicContact CD1-CG 4.44Å; Y100-L128 HydrophobicContact CD2-CD1 4.18Å; Y100-L128 HydrophobicContact CE1-CB 3.78Å; Y100-L128 HydrophobicContact CE1-CD1 3.68Å; Y100-L128 HydrophobicContact CE1-CG 4.35Å; Y100-L128 HydrophobicContact CE2-CD1 3.88Å; Y100-L128 HydrophobicContact CG-CD1 4.23Å; L102-L128 HydrophobicContact CD1-CD2 3.71Å; L102-L128 HydrophobicContact CD2-CB 4.15Å; L102-L128 HydrophobicContact CD2-CD2 3.74Å; L102-L128 HydrophobicContact CG-CD2 4.39Å; K124-L128 PolarHBondContact O-N 3.41Å; D125-L128 PolarHBondContact O-N 3.03Å; L128-E130 PolarHBondContact O-N 3.31Å; L128-Y131 HydrophobicContact CD1-CD1 4.25Å; L128-Y131 WeakPolarHBondContact O-CB 3.35Å; L128-Y131 PolarHBondContact O-N 3.3Å; L128-I135 HydrophobicContact CD1-CD1 4.48Å; L128-F300 HydrophobicContact CD2-CE1 4.36Å; L128-F300 HydrophobicContact CD2-CZ 4.24Å; L128-A305 HydrophobicContact CD2-CB 3.75Å
129L90.1Very high90.8Very high102 Ų10250 Ų5053%0.53426%0.256SS..Hα-helixtrans-62.3-28.7173.8-72.3174.4000112.9D125 L126 D127 Y131 V304D125-L129 WeakPolarHBondContact O-CG 3.48Å; D125-L129 PolarHBondContact O-N 3.19Å; D125-L129 VanDerWaalsContact O-N 3.12Å; L126-L129 HydrophobicContact CD2-CD1 3.95Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L129 PolarHBondContact O-N 2.85Å; L129-Y131 VanDerWaalsContact C-N 3.32Å; L129-V304 HydrophobicContact CD2-CG1 3.32Å; L129-V304 HydrophobicContact CG-CG1 4.35Å
130E87.7Confident91.1Very high106 Ų10643.9 Ų43.950%0.49523%0.233SC..Hα-helixtrans-84-11.2175.4-69172.6179.700112.4R110 L126 D127 L128 K132R110-E130 IonicContact CZ-OE1 2.64Å; R110-E130 IonicContact CZ-OE2 4Å; R110-E130 IonicContact NH1-OE1 3.55Å; R110-E130 PolarHBondContact NH1-OE1 2.99Å; R110-E130 IonicContact NH1-OE2 2.77Å; R110-E130 PolarHBondContact NH1-OE2 3.12Å; R110-E130 IonicContact NH2-OE1 3.48Å; R110-E130 PolarHBondContact NH2-OE1 2.84Å; L126-E130 PolarHBondContact O-N 2.82Å; D127-E130 PolarHBondContact O-N 2.84Å; L128-E130 PolarHBondContact O-N 3.31Å; E130-K132 PolarHBondContact O-N 3.31Å
131Y84.5Confident91.3Very high34 Ų3442.4 Ų42.413%0.13322%0.222CC..  trans-71.692.8178.2-177.1-124000110.5Q98 D127 L128 L129 N133 G134 I135Q98-Y131 VanDerWaalsContact CD-CE2 3.5Å; Q98-Y131 VanDerWaalsContact OE1-CE2 3.26Å; D127-Y131 PolarHBondContact O-N 3.24Å; L128-Y131 HydrophobicContact CD1-CD1 4.25Å; L128-Y131 WeakPolarHBondContact O-CB 3.35Å; L128-Y131 PolarHBondContact O-N 3.3Å; L129-Y131 VanDerWaalsContact C-N 3.32Å; Y131-N133 HydrophobicContact CD2-CB 4.46Å; Y131-N133 HydrophobicContact CE1-CB 4.05Å; Y131-N133 HydrophobicContact CE2-CB 3.71Å; Y131-N133 PolarHBondContact O-N 2.64Å; Y131-N133 VanDerWaalsContact O-N 3.15Å; Y131-G134 PolarHBondContact O-N 2.96Å; Y131-I135 HydrophobicContact CE1-CG1 4.25Å
132K77.5Confident91.4Very high179 Ų17941.2 Ų41.278%0.77821%0.213SC*.THydrogen-bonded Turntrans-60-26.8-176.9-65.1-175.6-179.4178.30113.1E130 G134 I247E130-K132 PolarHBondContact O-N 3.31Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.15Å; K132-I247 WeakPolarHBondContact O-CD1 3.39Å
133N77.7Confident91.5Very high46 Ų4643.1 Ų43.125%0.24622%0.223CC..THydrogen-bonded Turntrans-77.9-14.4-170.2-51.7-3.5000112.7Y131 N246 I247Y131-N133 HydrophobicContact CD2-CB 4.46Å; Y131-N133 HydrophobicContact CE1-CB 4.05Å; Y131-N133 HydrophobicContact CE2-CB 3.71Å; Y131-N133 PolarHBondContact O-N 2.64Å; Y131-N133 VanDerWaalsContact O-N 3.15Å; N133-N246 HydrophobicContact CB-CB 3.86Å; N133-N246 CarbonylContact O-C 3.59Å; N133-N246 WeakPolarHBondContact O-CA 3.44Å; N133-N246 WeakPolarHBondContact O-CB 3.4Å; N133-I247 WeakPolarHBondContact O-CG1 3.32Å; N133-I247 WeakPolarHBondContact O-CG2 3.48Å; N133-I247 PolarHBondContact O-N 3.18Å
134G84.4Confident91.4Very high21 Ų2142.8 Ų42.822%0.21622%0.224CC..  trans59.3172.4178.900000114.4Y131 K132Y131-G134 PolarHBondContact O-N 2.96Å; K132-G134 VanDerWaalsContact C-N 3.27Å; K132-G134 PolarHBondContact O-N 3.15Å
135I94.8Very high91.4Very high2 Ų239.9 Ų39.91%0.0121%0.212CC..  trans-130.1101.3177-51.6175000108.7L128 Y131 I137 L168 I170 A244 L254 F306 T307L128-I135 HydrophobicContact CD1-CD1 4.48Å; Y131-I135 HydrophobicContact CE1-CG1 4.25Å; I135-I137 HydrophobicContact CG2-CG1 4.29Å; I135-L168 HydrophobicContact CD1-CD2 3.72Å; I135-I170 HydrophobicContact CD1-CD1 3.54Å; I135-I170 HydrophobicContact CG1-CD1 4.2Å; I135-A244 HydrophobicContact CG2-CB 3.94Å; I135-L254 HydrophobicContact CG2-CD1 3.61Å; I135-L254 HydrophobicContact CG2-CD2 4.02Å; I135-L254 HydrophobicContact CG2-CG 4.43Å; I135-F306 HydrophobicContact CB-CD1 4.15Å; I135-F306 HydrophobicContact CD1-CD1 4.39Å; I135-F306 HydrophobicContact CD1-CE1 4.2Å; I135-F306 HydrophobicContact CG2-CD1 3.83Å; I135-F306 HydrophobicContact CG2-CE1 4.22Å; I135-T307 PolarHBondContact O-N 3.47Å
136L94.9Very high91.5Very high42 Ų4240 Ų4022%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-92.1119.7-178.4-52.7-176.3000109.8A244 H245 T307 V309L136-A244 CarbonylContact O-C 3.53Å; L136-A244 VanDerWaalsContact O-CA 3.29Å; L136-A244 WeakPolarHBondContact O-CA 3.27Å; L136-A244 VanDerWaalsContact O-CB 3.32Å; L136-A244 WeakPolarHBondContact O-CB 3.34Å; L136-H245 WeakPolarHBondContact CA-O 3.38Å; L136-H245 HydrophobicContact CB-CB 4.5Å; L136-H245 VanDerWaalsContact CB-O 3.27Å; L136-H245 WeakPolarHBondContact CB-O 3.29Å; L136-H245 PolarHBondContact N-O 3.14Å; L136-H245 PolarHBondContact O-N 2.65Å; L136-T307 HydrophobicContact CD2-CG2 3.8Å; L136-V309 HydrophobicContact CB-CG2 3.83Å; L136-V309 HydrophobicContact CD1-CG2 4.39Å; L136-V309 HydrophobicContact CD2-CG2 3.99Å; L136-V309 HydrophobicContact CG-CG2 4.28Å
137I94.8Very high91.6Very high1 Ų144.9 Ų44.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-117.2137.8178.3-55.2-177.5000108.6I135 T141 F142 L145 A244 L254 F306 T307 V309I135-I137 HydrophobicContact CG2-CG1 4.29Å; I137-T141 HydrophobicContact CG2-CG2 3.57Å; I137-F142 HydrophobicContact CB-CB 4.19Å; I137-F142 HydrophobicContact CB-CD2 4.42Å; I137-F142 HydrophobicContact CG2-CB 3.98Å; I137-L145 HydrophobicContact CD1-CD2 3.84Å; I137-A244 HydrophobicContact CG1-CB 4.04Å; I137-L254 HydrophobicContact CD1-CD1 3.93Å; I137-L254 HydrophobicContact CG1-CD1 4.35Å; I137-F306 HydrophobicContact CD1-CB 4.01Å; I137-F306 HydrophobicContact CD1-CD1 3.57Å; I137-F306 HydrophobicContact CD1-CE1 4.23Å; I137-F306 HydrophobicContact CD1-CG 3.87Å; I137-F306 HydrophobicContact CG1-CD1 4.46Å; I137-T307 PolarHBondContact N-O 3.38Å; I137-V309 PolarHBondContact O-N 3.05Å
138D92.9Very high91.7Very high46 Ų4644.6 Ų44.625%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-61.4147.7175.870.1-85.1000111.4P140 T141 F142 M311D138-P140 VanDerWaalsContact OD2-CD 3.25Å; D138-P140 WeakPolarHBondContact OD2-CD 3.43Å; D138-T141 PolarHBondContact O-N 2.69Å; D138-T141 WeakPolarHBondContact OD1-CB 3.37Å; D138-T141 PolarHBondContact OD1-OG1 3.4Å; D138-T141 WeakPolarHBondContact OD2-CB 3.29Å; D138-T141 PolarHBondContact OD2-N 2.68Å; D138-T141 VanDerWaalsContact OD2-N 3.12Å; D138-T141 PolarHBondContact OD2-OG1 2.69Å; D138-F142 WeakPolarHBondContact O-CB 3.43Å; D138-F142 PolarHBondContact O-N 2.86Å; D138-M311 HydrophobicContact CB-CE 4.06Å
139A94.3Very high91.8Very high11 Ų1144.1 Ų44.19%0.09123%0.228CC..Hα-helixtrans-51.3-51-17300000114.7T141 F142 D143 R308 V309A139-T141 PolarHBondContact O-N 2.95Å; A139-F142 PolarHBondContact O-N 2.84Å; A139-D143 WeakPolarHBondContact O-CB 3.19Å; A139-D143 PolarHBondContact O-N 2.91Å; A139-R308 HydrophobicContact CB-CG 4.25Å; A139-V309 PolarHBondContact N-O 2.69Å
140P94.1Very high92.1Very high72 Ų7241.1 Ų41.147%0.46822%0.215SC..Hα-helixtrans-56.4-48.9176.3-25.632.2000113.8D138 D143 A144D138-P140 VanDerWaalsContact OD2-CD 3.25Å; D138-P140 WeakPolarHBondContact OD2-CD 3.43Å; P140-D143 PolarHBondContact O-N 2.8Å; P140-A144 WeakPolarHBondContact O-CB 3.21Å; P140-A144 PolarHBondContact O-N 2.78Å
141T93.4Very high92.5Very high13 Ų1340.6 Ų40.68%0.0821%0.209CC..Hα-helixtrans-64.9-42.2-179.5-59.30000111.5I137 D138 A139 A144 L145 I224 I242I137-T141 HydrophobicContact CG2-CG2 3.57Å; D138-T141 PolarHBondContact O-N 2.69Å; D138-T141 WeakPolarHBondContact OD1-CB 3.37Å; D138-T141 PolarHBondContact OD1-OG1 3.4Å; D138-T141 WeakPolarHBondContact OD2-CB 3.29Å; D138-T141 PolarHBondContact OD2-N 2.68Å; D138-T141 VanDerWaalsContact OD2-N 3.12Å; D138-T141 PolarHBondContact OD2-OG1 2.69Å; A139-T141 PolarHBondContact O-N 2.95Å; T141-A144 PolarHBondContact O-N 3.42Å; T141-L145 VanDerWaalsContact O-CB 3.27Å; T141-L145 WeakPolarHBondContact O-CB 3.44Å; T141-L145 PolarHBondContact O-N 3.37Å; T141-I224 HydrophobicContact CG2-CG2 3.94Å; T141-I242 HydrophobicContact CG2-CG2 3.32Å
142F95.5Very high93.1Very high7 Ų739 Ų393%0.03120%0.203CC..Hα-helixtrans-60.9-47.6176179.4-85.6000111.4I137 D138 A139 A144 L145 M146 R302 F306 R308I137-F142 HydrophobicContact CB-CB 4.19Å; I137-F142 HydrophobicContact CB-CD2 4.42Å; I137-F142 HydrophobicContact CG2-CB 3.98Å; D138-F142 WeakPolarHBondContact O-CB 3.43Å; D138-F142 PolarHBondContact O-N 2.86Å; A139-F142 PolarHBondContact O-N 2.84Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 3.21Å; F142-L145 PolarHBondContact O-N 2.61Å; F142-M146 HydrophobicContact CD1-CG 3.92Å; F142-M146 HydrophobicContact CE1-CG 3.55Å; F142-M146 HydrophobicContact CE2-CG 4.19Å; F142-M146 HydrophobicContact CG-CG 4.4Å; F142-M146 HydrophobicContact CZ-CG 3.71Å; F142-M146 HydrophobicContact CZ-SD 4.22Å; F142-M146 WeakPolarHBondContact O-CB 3.35Å; F142-M146 VanDerWaalsContact O-CG 3.31Å; F142-M146 WeakPolarHBondContact O-CG 3.48Å; F142-M146 PolarHBondContact O-N 3.39Å; F142-R302 HydrophobicContact CE1-CG 4.5Å; F142-R302 HydrophobicContact CZ-CG 4Å; F142-F306 HydrophobicContact CD2-CB 4.08Å; F142-F306 HydrophobicContact CE2-CB 3.78Å; F142-F306 WeakPolarHBondContact CE2-O 3.35Å; F142-R308 HydrophobicContact CB-CB 4.36Å; F142-R308 HydrophobicContact CB-CG 4.07Å; F142-R308 HydrophobicContact CD1-CB 3.66Å; F142-R308 HydrophobicContact CD1-CG 3.62Å; F142-R308 HydrophobicContact CD2-CB 3.93Å; F142-R308 HydrophobicContact CE1-CB 3.81Å; F142-R308 HydrophobicContact CE1-CG 4.15Å; F142-R308 HydrophobicContact CE2-CB 4.07Å; F142-R308 HydrophobicContact CG-CB 3.71Å; F142-R308 HydrophobicContact CG-CG 3.82Å; F142-R308 HydrophobicContact CZ-CB 4Å
143D95.8Very high94Very high68 Ų6830.5 Ų30.536%0.36417%0.166SC..Hα-helixtrans-64.4-38.9-178.3-67.1-24.2000110.7A139 P140 K147 R308A139-D143 WeakPolarHBondContact O-CB 3.19Å; A139-D143 PolarHBondContact O-N 2.91Å; P140-D143 PolarHBondContact O-N 2.8Å; D143-K147 VanDerWaalsContact O-CB 3.25Å; D143-K147 WeakPolarHBondContact O-CB 3.45Å; D143-K147 PolarHBondContact O-N 2.86Å; D143-R308 IonicContact OD1-CZ 3.82Å; D143-R308 IonicContact OD1-NE 2.9Å; D143-R308 PolarHBondContact OD1-NE 3.44Å; D143-R308 IonicContact OD1-NH2 3.85Å; D143-R308 IonicContact OD2-CZ 3.53Å; D143-R308 IonicContact OD2-NE 3.31Å; D143-R308 PolarHBondContact OD2-NE 2.85Å; D143-R308 IonicContact OD2-NH2 2.85Å; D143-R308 PolarHBondContact OD2-NH2 3.04Å
144A94.2Very high94.8Very high23 Ų2333 Ų3319%0.1918%0.178CC..Hα-helixtrans-66.9-44.7174.200000113P140 T141 F142 K147 T148 I224P140-A144 WeakPolarHBondContact O-CB 3.21Å; P140-A144 PolarHBondContact O-N 2.78Å; T141-A144 PolarHBondContact O-N 3.42Å; F142-A144 VanDerWaalsContact C-N 3.32Å; F142-A144 PolarHBondContact O-N 3.21Å; A144-K147 PolarHBondContact O-N 3.36Å; A144-T148 PolarHBondContact O-N 3.1Å; A144-T148 PolarHBondContact O-OG1 3.44Å; A144-I224 HydrophobicContact CB-CG2 4.05Å
145L95.8Very high95.2Very high0 Ų033.1 Ų33.10%018%0.175CC..Hα-helixtrans-60.5-49.9176.8174.760.2000110.9L64 I137 T141 F142 K147 T148 I149 I224 I242 L256 F306L64-L145 HydrophobicContact CD1-CD1 4.02Å; I137-L145 HydrophobicContact CD1-CD2 3.84Å; T141-L145 VanDerWaalsContact O-CB 3.27Å; T141-L145 WeakPolarHBondContact O-CB 3.44Å; T141-L145 PolarHBondContact O-N 3.37Å; F142-L145 PolarHBondContact O-N 2.61Å; L145-K147 PolarHBondContact O-N 3.12Å; L145-T148 WeakPolarHBondContact O-CB 3.38Å; L145-T148 PolarHBondContact O-N 3.02Å; L145-I149 HydrophobicContact CD1-CD1 3.97Å; L145-I149 HydrophobicContact CD1-CG1 4.41Å; L145-I149 HydrophobicContact CG-CD1 4.08Å; L145-I149 PolarHBondContact O-N 3.19Å; L145-I224 HydrophobicContact CD1-CD1 4.35Å; L145-I242 HydrophobicContact CD1-CD1 3.92Å; L145-I242 HydrophobicContact CD2-CD1 4.17Å; L145-I242 HydrophobicContact CG-CD1 4.47Å; L145-L256 HydrophobicContact CD1-CD1 3.78Å; L145-L256 HydrophobicContact CD1-CD2 4.16Å; L145-L256 HydrophobicContact CD2-CD2 4.22Å; L145-F306 HydrophobicContact CD2-CD2 4.16Å; L145-F306 HydrophobicContact CD2-CE2 4.12Å; L145-F306 HydrophobicContact CD2-CZ 4.47Å
146M96.8Very high95.2Very high4 Ų433.1 Ų33.12%0.0218%0.175CC..Hα-helixtrans-63.7-40.5178.7-70.1-59.3100.400112.2F142 T148 I149 S150 L301 R302 F306F142-M146 HydrophobicContact CD1-CG 3.92Å; F142-M146 HydrophobicContact CE1-CG 3.55Å; F142-M146 HydrophobicContact CE2-CG 4.19Å; F142-M146 HydrophobicContact CG-CG 4.4Å; F142-M146 HydrophobicContact CZ-CG 3.71Å; F142-M146 HydrophobicContact CZ-SD 4.22Å; F142-M146 WeakPolarHBondContact O-CB 3.35Å; F142-M146 VanDerWaalsContact O-CG 3.31Å; F142-M146 WeakPolarHBondContact O-CG 3.48Å; F142-M146 PolarHBondContact O-N 3.39Å; M146-T148 VanDerWaalsContact C-N 3.26Å; M146-T148 PolarHBondContact O-N 3.3Å; M146-I149 HydrophobicContact CE-CD1 3.52Å; M146-I149 PolarHBondContact O-N 3.14Å; M146-S150 WeakPolarHBondContact O-CB 3.43Å; M146-S150 PolarHBondContact O-N 2.91Å; M146-S150 PolarHBondContact O-OG 2.83Å; M146-S150 VanDerWaalsContact O-OG 3.13Å; M146-L301 HydrophobicContact CE-CB 4.49Å; M146-R302 HydrophobicContact SD-CB 3.85Å; M146-R302 HydrophobicContact SD-CG 4.37Å; M146-F306 HydrophobicContact CE-CD2 3.82Å; M146-F306 HydrophobicContact CE-CE2 4.4Å
147K96.2Very high95Very high144 Ų14434.1 Ų34.163%0.62618%0.178SC*.Hα-helixtrans-59.1-40.1174.3-177.9177.8-179.2178.80111.7D143 A144 L145 R151D143-K147 VanDerWaalsContact O-CB 3.25Å; D143-K147 WeakPolarHBondContact O-CB 3.45Å; D143-K147 PolarHBondContact O-N 2.86Å; A144-K147 PolarHBondContact O-N 3.36Å; L145-K147 PolarHBondContact O-N 3.12Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.09Å; K147-R151 VanDerWaalsContact O-N 3.17Å
148T96.2Very high94.8Very high5 Ų537.7 Ų37.73%0.03120%0.202CC..Hα-helixtrans-67.1-49179-56.30000110.7K62 L64 A144 L145 M146 S150 R151 D152K62-T148 HydrophobicContact CB-CG2 4.26Å; K62-T148 WeakPolarHBondContact O-CG2 3.47Å; L64-T148 HydrophobicContact CG-CG2 4.04Å; A144-T148 PolarHBondContact O-N 3.1Å; A144-T148 PolarHBondContact O-OG1 3.44Å; L145-T148 WeakPolarHBondContact O-CB 3.38Å; L145-T148 PolarHBondContact O-N 3.02Å; M146-T148 VanDerWaalsContact C-N 3.26Å; M146-T148 PolarHBondContact O-N 3.3Å; T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.85Å; T148-R151 PolarHBondContact O-N 2.82Å; T148-R151 VanDerWaalsContact O-N 3.16Å; T148-D152 PolarHBondContact O-N 2.93Å
149I96.7Very high94.7Very high1 Ų137.8 Ų37.81%0.00520%0.201CC..Hα-helixtrans-57.2-44176.3-72.1169.2000111.2L64 L145 M146 R151 D152 C153 F297 E298 L301L64-I149 HydrophobicContact CD1-CD1 4.14Å; L64-I149 HydrophobicContact CD1-CG1 3.48Å; L64-I149 VanDerWaalsContact CD1-CG1 3.48Å; L145-I149 HydrophobicContact CD1-CD1 3.97Å; L145-I149 HydrophobicContact CD1-CG1 4.41Å; L145-I149 HydrophobicContact CG-CD1 4.08Å; L145-I149 PolarHBondContact O-N 3.19Å; M146-I149 HydrophobicContact CE-CD1 3.52Å; M146-I149 PolarHBondContact O-N 3.14Å; I149-R151 VanDerWaalsContact C-N 3.35Å; I149-R151 PolarHBondContact O-N 2.84Å; I149-D152 PolarHBondContact O-N 2.88Å; I149-C153 WeakPolarHBondContact O-CB 3.44Å; I149-C153 PolarHBondContact O-N 3.31Å; I149-C153 PolarHBondContact O-SG 3.06Å; I149-F297 HydrophobicContact CG2-CE1 4.12Å; I149-E298 HydrophobicContact CG2-CG 4.16Å; I149-L301 HydrophobicContact CD1-CD1 3.8Å; I149-L301 HydrophobicContact CG2-CD1 4.03Å
150S96.8Very high94.5Very high38 Ų3841.2 Ų41.227%0.26621%0.214SC..Hα-helixtrans-62.9-38.5178.4-66.10000112.8M146 T148 L154 E298M146-S150 WeakPolarHBondContact O-CB 3.43Å; M146-S150 PolarHBondContact O-N 2.91Å; M146-S150 PolarHBondContact O-OG 2.83Å; M146-S150 VanDerWaalsContact O-OG 3.13Å; T148-S150 VanDerWaalsContact C-N 3.31Å; T148-S150 PolarHBondContact O-N 2.85Å; S150-L154 PolarHBondContact O-N 3.05Å; S150-E298 VanDerWaalsContact CA-OE2 3.29Å; S150-E298 WeakPolarHBondContact CA-OE2 3.43Å; S150-E298 VanDerWaalsContact CB-OE2 3.23Å; S150-E298 WeakPolarHBondContact CB-OE2 3.43Å; S150-E298 PolarHBondContact OG-OE2 3.37Å
151R96Very high94.4Very high96 Ų9637.9 Ų37.936%0.36219%0.192SC..Hα-helixtrans-66.7-42.7175-70.9176.476.588.2-6.3111.4Q59 K147 T148 I149 L154 V155Q59-R151 PolarHBondContact O-NH2 2.76Å; K147-R151 WeakPolarHBondContact O-CG 3.41Å; K147-R151 PolarHBondContact O-N 3.09Å; K147-R151 VanDerWaalsContact O-N 3.17Å; T148-R151 PolarHBondContact O-N 2.82Å; T148-R151 VanDerWaalsContact O-N 3.16Å; I149-R151 VanDerWaalsContact C-N 3.35Å; I149-R151 PolarHBondContact O-N 2.84Å; R151-L154 WeakPolarHBondContact O-CB 3.5Å; R151-L154 PolarHBondContact O-N 3.35Å; R151-V155 PolarHBondContact O-N 3.24Å
152D96.8Very high94.2Very high0 Ų037.6 Ų37.60%019%0.19CC..Hα-helixtrans-66.2-41.4178.1-66.8-20.4000111.8N60 T63 L64 L65 T148 I149 L154 V155 L156 I258N60-D152 PolarHBondContact ND2-OD1 3.37Å; T63-D152 VanDerWaalsContact CB-OD1 3.22Å; T63-D152 WeakPolarHBondContact CB-OD1 3.32Å; T63-D152 PolarHBondContact OG1-OD1 2.74Å; T63-D152 PolarHBondContact OG1-OD2 3.22Å; L64-D152 WeakPolarHBondContact CB-OD2 3.49Å; L64-D152 PolarHBondContact N-OD2 2.71Å; L65-D152 HydrophobicContact CD2-CB 4.06Å; L65-D152 HydrophobicContact CG-CB 4.16Å; T148-D152 PolarHBondContact O-N 2.93Å; I149-D152 PolarHBondContact O-N 2.88Å; D152-L154 VanDerWaalsContact C-N 3.26Å; D152-L154 PolarHBondContact O-N 3.33Å; D152-V155 WeakPolarHBondContact O-CB 3.19Å; D152-V155 PolarHBondContact O-N 3.25Å; D152-V155 VanDerWaalsContact O-N 3.12Å; D152-L156 WeakPolarHBondContact O-CG 2.94Å; D152-L156 PolarHBondContact O-N 3.4Å; D152-I258 HydrophobicContact CB-CD1 3.88Å
153C96Very high93.9Very high0 Ų040 Ų400%020%0.203CC..Hα-helixtrans-62.1-34.4174.6-710000112I149 V155 L156 K157 A294 E298I149-C153 WeakPolarHBondContact O-CB 3.44Å; I149-C153 PolarHBondContact O-N 3.31Å; I149-C153 PolarHBondContact O-SG 3.06Å; C153-V155 VanDerWaalsContact C-N 3.35Å; C153-L156 PolarHBondContact O-N 2.92Å; C153-K157 WeakPolarHBondContact O-CB 3.2Å; C153-K157 PolarHBondContact O-N 3.16Å; C153-A294 HydrophobicContact CB-CB 4.19Å; C153-E298 HydrophobicContact CB-CG 4.04Å; C153-E298 VanDerWaalsContact CB-OE1 3.29Å; C153-E298 WeakPolarHBondContact CB-OE1 3.3Å
154L94.1Very high93.8Very high99 Ų9936.7 Ų36.752%0.51819%0.185SC..Hα-helixtrans-62.3-41.8173.5-176.863000111.9S150 R151 D152 S158S150-L154 PolarHBondContact O-N 3.05Å; R151-L154 WeakPolarHBondContact O-CB 3.5Å; R151-L154 PolarHBondContact O-N 3.35Å; D152-L154 VanDerWaalsContact C-N 3.26Å; D152-L154 PolarHBondContact O-N 3.33Å; L154-S158 PolarHBondContact O-N 3.26Å
155V92.5Very high93.9Very high24 Ų2435.6 Ų35.615%0.14518%0.176CC..Hα-helixtrans-65.9-49.7175.8176.50000110.8N56 L65 R151 D152 C153 K157 S158 F159N56-V155 HydrophobicContact CB-CG2 4.03Å; L65-V155 HydrophobicContact CD1-CG1 4.24Å; R151-V155 PolarHBondContact O-N 3.24Å; D152-V155 WeakPolarHBondContact O-CB 3.19Å; D152-V155 PolarHBondContact O-N 3.25Å; D152-V155 VanDerWaalsContact O-N 3.12Å; C153-V155 VanDerWaalsContact C-N 3.35Å; V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 2.94Å; V155-S158 PolarHBondContact O-N 2.83Å; V155-S158 VanDerWaalsContact O-N 3.1Å; V155-S158 PolarHBondContact O-OG 3.24Å; V155-F159 HydrophobicContact CG1-CD2 3.93Å; V155-F159 HydrophobicContact CG1-CE2 4.06Å; V155-F159 WeakPolarHBondContact O-CD2 3.44Å; V155-F159 PolarHBondContact O-N 3.35Å; V155-F159 VanDerWaalsContact O-N 3.12Å
156L94.4Very high94Very high1 Ų135.6 Ų35.61%0.00518%0.176CC..Hα-helixtrans-59.1-41.6179.3-64.9171.1000111.8L65 D152 C153 F159 K160 I161 Y164 I258 I261L65-L156 HydrophobicContact CD2-CD1 3.93Å; L65-L156 HydrophobicContact CD2-CD2 3.89Å; L65-L156 HydrophobicContact CD2-CG 3.98Å; D152-L156 WeakPolarHBondContact O-CG 2.94Å; D152-L156 PolarHBondContact O-N 3.4Å; C153-L156 PolarHBondContact O-N 2.92Å; L156-F159 CarbonylContact O-C 3.57Å; L156-F159 PolarHBondContact O-N 3.46Å; L156-K160 PolarHBondContact O-N 2.98Å; L156-K160 VanDerWaalsContact O-N 3.14Å; L156-I161 HydrophobicContact CB-CB 4.31Å; L156-I161 HydrophobicContact CD2-CB 4.18Å; L156-I161 HydrophobicContact CD2-CD1 3.75Å; L156-I161 HydrophobicContact CD2-CG2 4.09Å; L156-I161 PolarHBondContact O-N 2.84Å; L156-Y164 HydrophobicContact CB-CD1 4.4Å; L156-Y164 HydrophobicContact CB-CE1 3.86Å; L156-Y164 HydrophobicContact CD1-CD1 3.86Å; L156-Y164 HydrophobicContact CD1-CD2 3.8Å; L156-Y164 HydrophobicContact CD1-CE1 3.75Å; L156-Y164 HydrophobicContact CD1-CE2 3.69Å; L156-Y164 HydrophobicContact CD1-CG 3.87Å; L156-Y164 HydrophobicContact CG-CE1 4.37Å; L156-I258 HydrophobicContact CD1-CD1 4.19Å; L156-I258 HydrophobicContact CD1-CG2 4.06Å; L156-I261 HydrophobicContact CD1-CG2 4.48Å; L156-I261 HydrophobicContact CD2-CB 3.83Å; L156-I261 HydrophobicContact CD2-CG2 3.69Å
157K92Very high94Very high64 Ų6436.8 Ų36.828%0.27818%0.182SC..Hα-helixtrans-62.8-40175.2-177.5-179.772-175.30112.7C153 V155 F159 K160 N291C153-K157 WeakPolarHBondContact O-CB 3.2Å; C153-K157 PolarHBondContact O-N 3.16Å; V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 2.94Å; K157-F159 VanDerWaalsContact C-N 3.33Å; K157-K160 PolarHBondContact O-N 3.03Å; K157-N291 HydrophobicContact CD-CB 4.22Å; K157-N291 WeakPolarHBondContact CD-OD1 3.44Å; K157-N291 WeakPolarHBondContact CG-OD1 3.5Å
158S90.2Very high94Very high75 Ų7529.9 Ų29.952%0.52415%0.152SC..Hα-helixtrans-66-37.9178.677.30000111.4L154 V155 K160L154-S158 PolarHBondContact O-N 3.26Å; V155-S158 PolarHBondContact O-N 2.83Å; V155-S158 VanDerWaalsContact O-N 3.1Å; V155-S158 PolarHBondContact O-OG 3.24Å; S158-K160 VanDerWaalsContact C-N 3.26Å; S158-K160 PolarHBondContact O-N 3.16Å
159F90.5Very high93.9Very high49 Ų4929.7 Ų29.722%0.21515%0.151CC..THydrogen-bonded Turntrans-80.11.6174.8-77-75.3000114.8F45 L49 V155 L156 K157 I161F45-F159 HydrophobicContact CZ-CB 4.46Å; L49-F159 HydrophobicContact CD1-CB 4.2Å; L49-F159 HydrophobicContact CD1-CD1 3.71Å; L49-F159 HydrophobicContact CD1-CD2 3.35Å; L49-F159 HydrophobicContact CD1-CE1 3.86Å; L49-F159 HydrophobicContact CD1-CE2 3.52Å; L49-F159 HydrophobicContact CD1-CG 3.46Å; L49-F159 VanDerWaalsContact CD1-CG 3.46Å; L49-F159 HydrophobicContact CD1-CZ 3.77Å; V155-F159 HydrophobicContact CG1-CD2 3.93Å; V155-F159 HydrophobicContact CG1-CE2 4.06Å; V155-F159 WeakPolarHBondContact O-CD2 3.44Å; V155-F159 PolarHBondContact O-N 3.35Å; V155-F159 VanDerWaalsContact O-N 3.12Å; L156-F159 CarbonylContact O-C 3.57Å; L156-F159 PolarHBondContact O-N 3.46Å; K157-F159 VanDerWaalsContact C-N 3.33Å; F159-I161 HydrophobicContact CB-CD1 3.62Å; F159-I161 HydrophobicContact CB-CG1 3.84Å; F159-I161 HydrophobicContact CG-CD1 4.49Å; F159-I161 PolarHBondContact O-N 2.99Å
160K90.4Very high93.9Very high83 Ų8329.7 Ų29.736%0.36115%0.151SC..THydrogen-bonded Turntrans56.636.6-177.7-48.6-63175.1-173.60112.3L156 K157 S158 Y265 P290L156-K160 PolarHBondContact O-N 2.98Å; L156-K160 VanDerWaalsContact O-N 3.14Å; K157-K160 PolarHBondContact O-N 3.03Å; S158-K160 VanDerWaalsContact C-N 3.26Å; S158-K160 PolarHBondContact O-N 3.16Å; K160-Y265 WeakPolarHBondContact O-CB 3.09Å; K160-Y265 PolarHBondContact O-N 2.98Å; K160-P290 HydrophobicContact CB-CG 4.14Å; K160-P290 HydrophobicContact CD-CB 4.47Å; K160-P290 HydrophobicContact CD-CG 3.97Å
161I91.4Very high93.8Very high1 Ų128.1 Ų28.11%0.00514%0.14CC..BIsolated β-bridgetrans-86.3139.5175-60164.1000108.3F45 L49 L156 F159 Y164 I261F45-I161 HydrophobicContact CE1-CD1 3.82Å; F45-I161 HydrophobicContact CE1-CG1 3.76Å; F45-I161 HydrophobicContact CZ-CD1 3.75Å; F45-I161 HydrophobicContact CZ-CG1 3.51Å; L49-I161 HydrophobicContact CD1-CD1 4.23Å; L49-I161 HydrophobicContact CD2-CD1 4.5Å; L156-I161 HydrophobicContact CB-CB 4.31Å; L156-I161 HydrophobicContact CD2-CB 4.18Å; L156-I161 HydrophobicContact CD2-CD1 3.75Å; L156-I161 HydrophobicContact CD2-CG2 4.09Å; L156-I161 PolarHBondContact O-N 2.84Å; F159-I161 HydrophobicContact CB-CD1 3.62Å; F159-I161 HydrophobicContact CB-CG1 3.84Å; F159-I161 HydrophobicContact CG-CD1 4.49Å; F159-I161 PolarHBondContact O-N 2.99Å; I161-Y164 HydrophobicContact CG2-CD1 4.07Å; I161-I261 WeakPolarHBondContact CD1-O 3.47Å; I161-I261 HydrophobicContact CG2-CB 4.32Å; I161-I261 VanDerWaalsContact CG2-O 3.32Å; I161-I261 WeakPolarHBondContact CG2-O 3.39Å
162M89.5Confident93.7Very high8 Ų823.8 Ų23.84%0.03912%0.124CC..  trans-140.5178.9177.4-53.9-174.5-38.200109.1Y164 Y265 V287 P290 Y293M162-Y164 PolarHBondContact O-N 3.23Å; M162-Y265 HydrophobicContact CE-CD1 4.24Å; M162-Y265 HydrophobicContact CE-CD2 3.14Å; M162-Y265 HydrophobicContact CE-CE2 3.78Å; M162-Y265 HydrophobicContact CE-CG 3.45Å; M162-Y265 VanDerWaalsContact CE-CG 3.45Å; M162-Y265 HydrophobicContact SD-CD1 4.14Å; M162-Y265 HydrophobicContact SD-CD2 4.1Å; M162-Y265 HydrophobicContact SD-CG 3.84Å; M162-V287 HydrophobicContact CE-CG1 3.63Å; M162-P290 HydrophobicContact CG-CB 4.12Å; M162-P290 HydrophobicContact CG-CG 3.91Å; M162-P290 HydrophobicContact SD-CB 4.3Å; M162-P290 HydrophobicContact SD-CG 3.69Å; M162-Y293 HydrophobicContact CB-CD2 4.24Å; M162-Y293 HydrophobicContact CB-CG 4.32Å
163D88.8Confident93.5Very high56 Ų5624 Ų2430%0.29913%0.125SC..SBendtrans59.116.3176.5-65.8-37.2000115.3K103 Y293K103-D163 VanDerWaalsContact CE-O 3.22Å; K103-D163 WeakPolarHBondContact CE-O 3.43Å; K103-D163 PolarHBondContact NZ-O 3.2Å; D163-Y293 VanDerWaalsContact CA-CZ 3.49Å; D163-Y293 VanDerWaalsContact CA-OH 3.27Å; D163-Y293 WeakPolarHBondContact CA-OH 3.46Å; D163-Y293 VanDerWaalsContact N-CE2 3.28Å; D163-Y293 VanDerWaalsContact N-CZ 3.28Å
164Y94.8Very high93.4Very high0 Ų025.6 Ų25.60%013%0.133CC..  trans-73.2148.516954.9-94.5000111.4L156 I161 M162 I258 I259 Y293 A294 F297L156-Y164 HydrophobicContact CB-CD1 4.4Å; L156-Y164 HydrophobicContact CB-CE1 3.86Å; L156-Y164 HydrophobicContact CD1-CD1 3.86Å; L156-Y164 HydrophobicContact CD1-CD2 3.8Å; L156-Y164 HydrophobicContact CD1-CE1 3.75Å; L156-Y164 HydrophobicContact CD1-CE2 3.69Å; L156-Y164 HydrophobicContact CD1-CG 3.87Å; L156-Y164 HydrophobicContact CG-CE1 4.37Å; I161-Y164 HydrophobicContact CG2-CD1 4.07Å; M162-Y164 PolarHBondContact O-N 3.23Å; Y164-I258 HydrophobicContact CD2-CG2 3.87Å; Y164-I258 HydrophobicContact CG-CG2 4.22Å; Y164-I259 WeakPolarHBondContact CA-O 3.43Å; Y164-I259 VanDerWaalsContact CB-O 3.32Å; Y164-I259 WeakPolarHBondContact CB-O 3.49Å; Y164-Y293 HydrophobicContact CD1-CD1 4.19Å; Y164-Y293 AromaticContact CD1-CE1 3.79Å; Y164-Y293 HydrophobicContact CD1-CE1 3.79Å; Y164-Y293 AromaticContact CD2-CE1 3.92Å; Y164-Y293 HydrophobicContact CD2-CE1 3.92Å; Y164-Y293 AromaticContact CE1-CD1 3.54Å; Y164-Y293 HydrophobicContact CE1-CD1 3.54Å; Y164-Y293 AromaticContact CE1-CE1 3.57Å; Y164-Y293 HydrophobicContact CE1-CE1 3.57Å; Y164-Y293 HydrophobicContact CE2-CD1 4.14Å; Y164-Y293 AromaticContact CE2-CE1 3.7Å; Y164-Y293 HydrophobicContact CE2-CE1 3.7Å; Y164-Y293 AromaticContact CG-CE1 3.98Å; Y164-Y293 HydrophobicContact CG-CE1 3.98Å; Y164-Y293 AromaticContact CZ-CD1 3.53Å; Y164-Y293 AromaticContact CZ-CE1 3.53Å; Y164-Y293 PolarHBondContact N-OH 3.31Å; Y164-Y293 PolarHBondContact O-OH 2.92Å; Y164-A294 WeakPolarHBondContact OH-CA 3.3Å; Y164-F297 HydrophobicContact CD2-CD2 4.32Å; Y164-F297 HydrophobicContact CD2-CE1 4.42Å; Y164-F297 HydrophobicContact CD2-CE2 4.08Å; Y164-F297 HydrophobicContact CD2-CZ 4.1Å; Y164-F297 HydrophobicContact CE2-CB 4.47Å; Y164-F297 AromaticContact CE2-CD1 3.82Å; Y164-F297 HydrophobicContact CE2-CD1 3.82Å; Y164-F297 HydrophobicContact CE2-CD2 4.03Å; Y164-F297 AromaticContact CE2-CE1 3.9Å; Y164-F297 HydrophobicContact CE2-CE1 3.9Å; Y164-F297 HydrophobicContact CE2-CE2 4.12Å; Y164-F297 AromaticContact CE2-CG 3.86Å; Y164-F297 HydrophobicContact CE2-CG 3.86Å; Y164-F297 HydrophobicContact CE2-CZ 4.03Å
165S95.7Very high93.3Very high0 Ų024.7 Ų24.70%013%0.126CC..EExtended strand (participates in β ladder)trans-112.4155.3176.5-530000111.1D101 L102 K103 I258 I259D101-S165 PolarHBondContact OD1-OG 2.55Å; D101-S165 VanDerWaalsContact OD2-CB 3.23Å; D101-S165 WeakPolarHBondContact OD2-CB 3.34Å; D101-S165 PolarHBondContact OD2-OG 3.14Å; L102-S165 CarbonylContact O-C 3.23Å; L102-S165 WeakPolarHBondContact O-CA 3.35Å; K103-S165 WeakPolarHBondContact CE-OG 3.3Å; K103-S165 WeakPolarHBondContact CG-OG 3.42Å; S165-I258 CarbonylContact O-C 3.55Å; S165-I258 VanDerWaalsContact O-CA 3.29Å; S165-I258 WeakPolarHBondContact O-CA 3.22Å; S165-I259 PolarHBondContact N-O 2.72Å; S165-I259 PolarHBondContact O-N 2.98Å
166L97.5Very high93.3Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-86.4116.8155-170.474.5000107.4L64 L102 L256 I258 F297 L301 F306L64-L166 HydrophobicContact CD1-CD1 4.44Å; L102-L166 HydrophobicContact CB-CB 4.37Å; L102-L166 PolarHBondContact N-O 3.38Å; L102-L166 PolarHBondContact O-N 2.93Å; L166-L256 HydrophobicContact CD1-CB 4.41Å; L166-L256 HydrophobicContact CD1-CD1 4.14Å; L166-I258 HydrophobicContact CD1-CG1 4.08Å; L166-F297 HydrophobicContact CB-CE2 4.08Å; L166-F297 HydrophobicContact CB-CZ 3.79Å; L166-L301 HydrophobicContact CB-CD1 4.37Å; L166-L301 HydrophobicContact CB-CD2 4.28Å; L166-L301 HydrophobicContact CD2-CD1 3.91Å; L166-L301 HydrophobicContact CD2-CD2 3.55Å; L166-L301 HydrophobicContact CD2-CG 4.38Å; L166-F306 HydrophobicContact CD2-CE2 3.97Å; L166-F306 HydrophobicContact CD2-CZ 4.04Å
167L96.5Very high93.1Very high28 Ų2827.8 Ų27.815%0.14714%0.141CC..EExtended strand (participates in β ladder)trans-83.2126.1167-174.362.3000107.9L90 Y100 L256 G257 I259L90-L167 HydrophobicContact CD1-CD1 4.05Å; L90-L167 HydrophobicContact CD1-CD2 3.68Å; L90-L167 HydrophobicContact CD1-CG 3.84Å; L90-L167 HydrophobicContact CD2-CD2 4.45Å; L90-L167 HydrophobicContact CD2-CG 4.34Å; L90-L167 HydrophobicContact CG-CD2 3.76Å; L90-L167 HydrophobicContact CG-CG 4.1Å; Y100-L167 CarbonylContact O-C 3.59Å; Y100-L167 WeakPolarHBondContact O-CA 3.48Å; L167-L256 WeakPolarHBondContact O-CA 3.47Å; L167-G257 PolarHBondContact N-O 3.44Å; L167-G257 PolarHBondContact O-N 3.36Å; L167-G257 VanDerWaalsContact O-N 3.09Å; L167-I259 HydrophobicContact CB-CD1 4Å; L167-I259 HydrophobicContact CB-CG1 4.17Å; L167-I259 HydrophobicContact CB-CG2 3.88Å; L167-I259 HydrophobicContact CD1-CD1 4.48Å; L167-I259 HydrophobicContact CD2-CD1 4.47Å; L167-I259 HydrophobicContact CD2-CG2 4.19Å
168L96.4Very high93.1Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-127.1119.4-179.4172.665.2000109.4K99 Y100 L102 I135 I170 L254 F255 L256 F306K99-L168 CarbonylContact C-O 3.59Å; K99-L168 VanDerWaalsContact CA-O 3.25Å; K99-L168 WeakPolarHBondContact CA-O 3.44Å; Y100-L168 HydrophobicContact CD2-CD2 4.25Å; Y100-L168 PolarHBondContact N-O 2.93Å; Y100-L168 PolarHBondContact O-N 3Å; L102-L168 HydrophobicContact CD1-CD2 4.28Å; I135-L168 HydrophobicContact CD1-CD2 3.72Å; L168-I170 HydrophobicContact CD1-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CD1 4.17Å; L168-I170 HydrophobicContact CD2-CG1 4.3Å; L168-I170 HydrophobicContact CG-CD1 4.44Å; L168-I170 HydrophobicContact CG-CG1 4.04Å; L168-L254 HydrophobicContact CD1-CB 4.17Å; L168-L254 HydrophobicContact CD1-CD2 4.48Å; L168-F255 CarbonylContact C-O 3.53Å; L168-F255 WeakPolarHBondContact CA-O 3.44Å; L168-L256 HydrophobicContact CD1-CB 4.03Å; L168-L256 HydrophobicContact CD1-CD2 4.27Å; L168-F306 HydrophobicContact CD1-CE1 4.39Å; L168-F306 HydrophobicContact CD1-CZ 4.4Å; L168-F306 HydrophobicContact CD2-CE1 4.14Å; L168-F306 HydrophobicContact CD2-CZ 4.29Å
169G95.9Very high93.1Very high0 Ų030.3 Ų30.30%015%0.145CC..EExtended strand (participates in β ladder)trans-104137.8166.100000110.2Q98 L254 F255Q98-G169 CarbonylContact O-C 3.57Å; Q98-G169 WeakPolarHBondContact O-CA 3.11Å; G169-L254 WeakPolarHBondContact O-CA 3.45Å; G169-F255 PolarHBondContact N-O 3.25Å; G169-F255 PolarHBondContact O-N 3.25Å
170I95.5Very high92.8Very high1 Ų133.4 Ų33.41%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-121.7122.1178.8-51.9-176.7000108L96 H97 Q98 Y100 I135 L168 L252 L254L96-I170 CarbonylContact C-O 3.46Å; H97-I170 PolarHBondContact N-O 3.48Å; Q98-I170 HydrophobicContact CB-CB 4.16Å; Q98-I170 HydrophobicContact CB-CD1 4.42Å; Q98-I170 HydrophobicContact CB-CG1 4.46Å; Q98-I170 PolarHBondContact N-O 3.29Å; Q98-I170 PolarHBondContact O-N 3.38Å; Y100-I170 HydrophobicContact CD2-CD1 4.29Å; Y100-I170 HydrophobicContact CE2-CD1 3.86Å; I135-I170 HydrophobicContact CD1-CD1 3.54Å; I135-I170 HydrophobicContact CG1-CD1 4.2Å; L168-I170 HydrophobicContact CD1-CG1 4.33Å; L168-I170 HydrophobicContact CD2-CD1 4.17Å; L168-I170 HydrophobicContact CD2-CG1 4.3Å; L168-I170 HydrophobicContact CG-CD1 4.44Å; L168-I170 HydrophobicContact CG-CG1 4.04Å; I170-L252 HydrophobicContact CG2-CB 4.23Å; I170-L252 HydrophobicContact CG2-CD1 4.09Å; I170-L252 HydrophobicContact CG2-CD2 4.01Å; I170-L252 HydrophobicContact CG2-CG 4.34Å; I170-L254 HydrophobicContact CB-CD2 4.39Å; I170-L254 HydrophobicContact CD1-CD2 4.38Å; I170-L254 HydrophobicContact CG1-CD2 3.94Å; I170-L254 HydrophobicContact CG2-CD2 4.05Å
171H95Very high92.3Very high6 Ų634.8 Ų34.83%0.02817%0.166CC..EExtended strand (participates in β ladder)trans-103.4115166.4175.579.4000108.8I94 K95 L96 H97 A176 Y237 L252 L253I94-H171 HydrophobicContact CD1-CB 3.97Å; K95-H171 PolarHBondContact O-ND1 3.29Å; L96-H171 HydrophobicContact CD2-CB 4.36Å; H97-H171 AromaticContact CE1-CE1 3.72Å; H97-H171 AromaticContact CE1-ND1 3.54Å; H97-H171 AromaticContact ND1-ND1 3.72Å; H171-A176 VanDerWaalsContact CE1-CB 3.47Å; H171-A176 WeakPolarHBondContact CE1-CB 3.37Å; H171-Y237 AromaticContact CD2-CE1 3.72Å; H171-Y237 AromaticContact NE2-CE1 3.43Å; H171-Y237 WeakPolarHBondContact NE2-CE1 3.29Å; H171-L252 CarbonylContact O-C 3.53Å; H171-L252 WeakPolarHBondContact O-CA 3.48Å; H171-L253 HydrophobicContact CB-CB 4.31Å; H171-L253 PolarHBondContact N-O 2.85Å; H171-L253 PolarHBondContact O-N 3.29Å
172N94.4Very high91.6Very high5 Ų536.4 Ų36.43%0.02718%0.183CC..EExtended strand (participates in β ladder)trans-83.4110.3171.6-173.8-13.2000108.5H97 D174 E175 A176 E250 L252H97-N172 HydrophobicContact CB-CB 4.5Å; H97-N172 PolarHBondContact CE1-O 3.47Å; H97-N172 PolarHBondContact ND1-N 3.5Å; N172-D174 PolarHBondContact OD1-N 3.21Å; N172-E175 HydrophobicContact CB-CB 3.71Å; N172-E175 WeakPolarHBondContact CB-OE2 3.16Å; N172-E175 VanDerWaalsContact CG-CB 3.4Å; N172-E175 WeakPolarHBondContact ND2-CB 3.26Å; N172-E175 PolarHBondContact ND2-OE2 2.71Å; N172-E175 PolarHBondContact OD1-N 3.09Å; N172-A176 WeakPolarHBondContact O-CB 3.45Å; N172-A176 PolarHBondContact O-N 3.05Å; N172-A176 VanDerWaalsContact O-N 3.07Å; N172-E250 PolarHBondContact ND2-OE2 3.03Å; N172-L252 HydrophobicContact CB-CD2 3.94Å
173M92.8Very high90.9Very high5 Ų542.1 Ų42.13%0.02521%0.21CC..Hα-helixtrans-70.7-39.1-173.9-64.117669.200111.4Q177 L233 Y237 L243 R251M173-Q177 VanDerWaalsContact O-CG 3.3Å; M173-Q177 WeakPolarHBondContact O-CG 3.22Å; M173-Q177 PolarHBondContact O-N 2.79Å; M173-L233 HydrophobicContact CE-CD2 3.78Å; M173-L233 HydrophobicContact SD-CD2 4.47Å; M173-Y237 HydrophobicContact CE-CE1 4.13Å; M173-Y237 HydrophobicContact CE-CE2 3.99Å; M173-Y237 HydrophobicContact CG-CE1 4.15Å; M173-L243 HydrophobicContact SD-CD2 4.12Å; M173-R251 HydrophobicContact CB-CB 4.25Å; M173-R251 PolarHBondContact N-O 3.14Å; M173-R251 HydrophobicContact SD-CB 4.05Å
174D92.8Very high90Very high33 Ų3342 Ų4218%0.17622%0.217CC..Hα-helixtrans-71.5-39.1-178.9-60.2-75.9000110.6N172 Q177 H178 E250 R251N172-D174 PolarHBondContact OD1-N 3.21Å; D174-Q177 PolarHBondContact O-N 2.8Å; D174-H178 PolarHBondContact O-CD2 3.03Å; D174-H178 PolarHBondContact O-N 2.82Å; D174-E250 HydrophobicContact CB-CB 4.28Å; D174-E250 HydrophobicContact CB-CG 4.36Å; D174-E250 WeakPolarHBondContact OD2-CA 3.46Å; D174-R251 IonicContact OD1-CZ 3.89Å; D174-R251 IonicContact OD1-NE 3.36Å; D174-R251 PolarHBondContact OD1-NE 3.44Å; D174-R251 IonicContact OD1-NH2 3.22Å; D174-R251 PolarHBondContact OD1-NH2 2.76Å; D174-R251 WeakPolarHBondContact OD2-CB 3.16Å; D174-R251 PolarHBondContact OD2-N 2.91Å; D174-R251 IonicContact OD2-NE 3.45Å; D174-R251 PolarHBondContact OD2-NE 2.79Å; D174-R251 IonicContact OD2-NH2 3.9Å
175E93.3Very high88.5Confident80 Ų8050.7 Ų50.737%0.37425%0.25SC..Hα-helixtrans-61-46.8172.3-171.3174.7170.600111.9H97 N172 Q177 H178 E179H97-E175 IonicContact CD2-OE1 2.79Å; H97-E175 PolarHBondContact CD2-OE1 2.81Å; H97-E175 IonicContact CD2-OE2 2.65Å; H97-E175 IonicContact CG-OE2 2.69Å; N172-E175 HydrophobicContact CB-CB 3.71Å; N172-E175 WeakPolarHBondContact CB-OE2 3.16Å; N172-E175 VanDerWaalsContact CG-CB 3.4Å; N172-E175 WeakPolarHBondContact ND2-CB 3.26Å; N172-E175 PolarHBondContact ND2-OE2 2.71Å; N172-E175 PolarHBondContact OD1-N 3.09Å; E175-Q177 VanDerWaalsContact C-N 3.28Å; E175-Q177 PolarHBondContact O-N 3.21Å; E175-H178 PolarHBondContact O-N 2.79Å; E175-H178 VanDerWaalsContact O-N 3.12Å; E175-E179 WeakPolarHBondContact O-CG 2.93Å; E175-E179 PolarHBondContact O-N 3.5Å
176A92.5Very high86.9Confident9 Ų954.1 Ų54.17%0.07427%0.273CS..Hα-helixtrans-60.5-36175.300000113.1H171 N172 K180H171-A176 VanDerWaalsContact CE1-CB 3.47Å; H171-A176 WeakPolarHBondContact CE1-CB 3.37Å; N172-A176 WeakPolarHBondContact O-CB 3.45Å; N172-A176 PolarHBondContact O-N 3.05Å; N172-A176 VanDerWaalsContact O-N 3.07Å; A176-K180 VanDerWaalsContact O-CG 3.32Å; A176-K180 WeakPolarHBondContact O-CG 3.23Å; A176-K180 PolarHBondContact O-N 2.94Å; A176-K180 VanDerWaalsContact O-N 3.16Å
177Q90.2Very high85.1Confident81 Ų8161 Ų6138%0.37931%0.305SS..Hα-helixtrans-67.6-39.4175.7-75.1-176.6-43.900111.8M173 D174 E175 Q181M173-Q177 VanDerWaalsContact O-CG 3.3Å; M173-Q177 WeakPolarHBondContact O-CG 3.22Å; M173-Q177 PolarHBondContact O-N 2.79Å; D174-Q177 PolarHBondContact O-N 2.8Å; E175-Q177 VanDerWaalsContact C-N 3.28Å; E175-Q177 PolarHBondContact O-N 3.21Å; Q177-Q181 WeakPolarHBondContact O-CG 3.24Å; Q177-Q181 PolarHBondContact O-N 3.39Å
178H90.6Very high83.2Confident130 Ų13065.3 Ų65.360%0.60233%0.329SS*.Hα-helixtrans-67.6-40.6175.6-77.4-62.4000112.7D174 E175 Q181 G182D174-H178 PolarHBondContact O-CD2 3.03Å; D174-H178 PolarHBondContact O-N 2.82Å; E175-H178 PolarHBondContact O-N 2.79Å; E175-H178 VanDerWaalsContact O-N 3.12Å; H178-Q181 PolarHBondContact O-N 3.21Å; H178-G182 PolarHBondContact O-N 2.8Å
179E90Very high81.3Confident62 Ų6272.4 Ų72.429%0.2936%0.362SS..Hα-helixtrans-60.7-46.5176.2-71-179.516100111.7K95 H97 E175 Q181 G182 E183K95-E179 WeakPolarHBondContact CD-OE2 3.35Å; K95-E179 IonicContact NZ-OE1 3.27Å; K95-E179 PolarHBondContact NZ-OE1 2.91Å; K95-E179 IonicContact NZ-OE2 2.73Å; K95-E179 PolarHBondContact NZ-OE2 2.84Å; H97-E179 IonicContact NE2-OE2 2.81Å; E175-E179 WeakPolarHBondContact O-CG 2.93Å; E175-E179 PolarHBondContact O-N 3.5Å; E179-Q181 VanDerWaalsContact C-N 3.31Å; E179-Q181 PolarHBondContact O-N 3.25Å; E179-G182 PolarHBondContact O-N 3.05Å; E179-G182 VanDerWaalsContact O-N 3.16Å; E179-E183 PolarHBondContact O-N 2.8Å
180K84.5Confident79.3Confident113 Ų11378.7 Ų78.749%0.49140%0.395SS..Hα-helixtrans-61-37.4177.1-73.7179.1179.9-161.80113.4A176 A184 E236A176-K180 VanDerWaalsContact O-CG 3.32Å; A176-K180 WeakPolarHBondContact O-CG 3.23Å; A176-K180 PolarHBondContact O-N 2.94Å; A176-K180 VanDerWaalsContact O-N 3.16Å; K180-A184 PolarHBondContact O-N 3.34Å; K180-E236 IonicContact NZ-OE1 2.94Å; K180-E236 PolarHBondContact NZ-OE1 3.17Å
181Q79.9Confident77.3Confident113 Ų11382.4 Ų82.453%0.52842%0.422SS..Hα-helixtrans-66.8-45.5175.7-71.9172.618.900110.3Q177 H178 E179 E183 A184 W185Q177-Q181 WeakPolarHBondContact O-CG 3.24Å; Q177-Q181 PolarHBondContact O-N 3.39Å; H178-Q181 PolarHBondContact O-N 3.21Å; E179-Q181 VanDerWaalsContact C-N 3.31Å; E179-Q181 PolarHBondContact O-N 3.25Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-E183 PolarHBondContact O-N 3.2Å; Q181-A184 PolarHBondContact O-N 3.24Å; Q181-W185 PolarHBondContact O-N 2.73Å
182G76.9Confident75.2Confident35 Ų3586.5 Ų86.536%0.36146%0.457SS..Hα-helixtrans-61.2-36.8179.300000114.3H178 E179 W185 S186H178-G182 PolarHBondContact O-N 2.8Å; E179-G182 PolarHBondContact O-N 3.05Å; E179-G182 VanDerWaalsContact O-N 3.16Å; G182-W185 PolarHBondContact O-N 3.37Å; G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 PolarHBondContact O-OG 3.49Å
183E74.1Confident73.1Confident128 Ų12891.2 Ų91.260%0.59849%0.49SS*.Hα-helixtrans-64.4-43.9175.1-71.9173.9177.100111.7E179 Q181 W185 S186 E187E179-E183 PolarHBondContact O-N 2.8Å; Q181-E183 VanDerWaalsContact C-N 3.34Å; Q181-E183 PolarHBondContact O-N 3.2Å; E183-W185 VanDerWaalsContact C-N 3.34Å; E183-W185 PolarHBondContact O-N 3.37Å; E183-S186 WeakPolarHBondContact O-CB 3.12Å; E183-S186 PolarHBondContact O-N 3.21Å; E183-E187 PolarHBondContact O-N 3.28Å
184A70.3Confident70.8Confident54 Ų5495.3 Ų95.345%0.44653%0.525SS..Hα-helixtrans-60.8-40177.700000112.8K180 Q181 S186 E187 D188K180-A184 PolarHBondContact O-N 3.34Å; Q181-A184 PolarHBondContact O-N 3.24Å; A184-S186 VanDerWaalsContact C-N 3.26Å; A184-S186 PolarHBondContact O-N 3.41Å; A184-E187 PolarHBondContact O-N 3.3Å; A184-D188 PolarHBondContact O-N 2.83Å
185W63.7Low68.3Low182 Ų18297.3 Ų97.369%0.68955%0.553SS**Hα-helixtrans-68-25175.7-69104.2000113.4Q181 G182 E183Q181-W185 PolarHBondContact O-N 2.73Å; G182-W185 PolarHBondContact O-N 3.37Å; E183-W185 VanDerWaalsContact C-N 3.34Å; E183-W185 PolarHBondContact O-N 3.37Å
186S61.7Low65.9Low71 Ų7198.4 Ų98.450%0.49758%0.576SS.*Hα-helixtrans-79.5-32.1-178.9-53.90000112G182 E183 A184 N190G182-S186 PolarHBondContact O-N 3.48Å; G182-S186 PolarHBondContact O-OG 3.49Å; E183-S186 WeakPolarHBondContact O-CB 3.12Å; E183-S186 PolarHBondContact O-N 3.21Å; A184-S186 VanDerWaalsContact C-N 3.26Å; A184-S186 PolarHBondContact O-N 3.41Å; S186-N190 PolarHBondContact O-N 3.32Å
187E59.5Low63.7Low144 Ų144103.8 Ų103.867%0.67361%0.612SS**Hα-helixtrans-72.6-33.6177.1-70.3-176.6161.200112.7E183 A184 Q189 S191E183-E187 PolarHBondContact O-N 3.28Å; A184-E187 PolarHBondContact O-N 3.3Å; E187-Q189 VanDerWaalsContact C-N 3.31Å; E187-Q189 PolarHBondContact O-N 3.38Å; E187-S191 PolarHBondContact O-N 3.5Å; E187-S191 PolarHBondContact O-OG 3.11Å
188D58.2Low61.2Low119 Ų119107.6 Ų107.664%0.63664%0.636SS**Hα-helixtrans-69.1-25.6176.3-85.5-14000113.1A184 S191A184-D188 PolarHBondContact O-N 2.83Å; D188-S191 PolarHBondContact O-OG 3.14Å
189Q56.3Low59.5Low150 Ų150109.3 Ų109.370%0.70165%0.648SS**Hα-helixtrans-85.8-28.7178.3-68.6-171.222.300113.5E187E187-Q189 VanDerWaalsContact C-N 3.31Å; E187-Q189 PolarHBondContact O-N 3.38Å
190N52.6Low57Low131 Ų131112.5 Ų112.570%0.70167%0.674SS**Hα-helixtrans-84.7-16.3178.3-84.9-15.1000113.8S186S186-N190 PolarHBondContact O-N 3.32Å
191S53.2Low54.9Low80 Ų80111.8 Ų111.856%0.55969%0.69SS**G310 helixtrans-82.9-11.1176.3470000113.6E187 D188E187-S191 PolarHBondContact O-N 3.5Å; E187-S191 PolarHBondContact O-OG 3.11Å; D188-S191 PolarHBondContact O-OG 3.14Å
192A52.6Low53Low92 Ų92114.9 Ų114.976%0.7670%0.704SS**G310 helixtrans-83.1-4.9179.500000115
193S50.3Low50.8Low103 Ų103122.4 Ų122.472%0.7273%0.727SS**G310 helixtrans-118.16.7-175.975.20000116.1G195S193-G195 PolarHBondContact O-N 2.92Å
194A44.2Very low49.1Very low92 Ų92123.5 Ų123.576%0.7674%0.735SS**  trans-100.777.9176.300000110.7
195G40.1Very low47.4Very low74 Ų74128 Ų12876%0.76375%0.747SS**  trans-72.9133.1174.400000112.9S193S193-G195 PolarHBondContact O-N 2.92Å
196A42.8Very low45.9Very low104 Ų104125.1 Ų125.186%0.8675%0.752SS**  trans55.588.914900000118.6
197S46.9Very low44.5Very low121 Ų121133.1 Ų133.185%0.84677%0.771SS**  trans-153.4109.1139.259.60000110.1
198D37.7Very low43.2Very low162 Ų162133.5 Ų133.587%0.86678%0.778SS**  trans-56.3134172-70.1-53.5000111.8
199L53.6Low42.1Very low166 Ų166138.9 Ų138.987%0.86979%0.789SS**  trans-175.2133.4147.8-94.8152.6000108.7A201L199-A201 PolarHBondContact O-N 3.28Å
200P37Very low40.7Very low128 Ų128140.6 Ų140.683%0.83179%0.794SS**  trans-83.1108.9-174.832.1-28.8000109.9
201A41.7Very low39.8Very low99 Ų99140 Ų14082%0.81880%0.795SS**  trans-90.9124.4170.600000109.9L199L199-A201 PolarHBondContact O-N 3.28Å
202E39Very low38.7Very low178 Ų178142.4 Ų142.483%0.83281%0.806SS**  trans-47.3132.7-178.7-74.9179.2128.500113.4I204E202-I204 PolarHBondContact O-N 3.16Å
203K32Very low37.7Very low192 Ų192144.5 Ų144.584%0.83579%0.794SS**  trans-62.196164.8-82.9-177.5172.4-175.40109.7E205K203-E205 PolarHBondContact O-N 3.42Å
204I37.1Very low36.9Very low152 Ų152144.5 Ų144.578%0.77978%0.783SS**  trans-87.397.4159.7-60.2176.6000106.6E202E202-I204 PolarHBondContact O-N 3.16Å
205E34.5Very low36.2Very low149 Ų149148.9 Ų148.970%0.69679%0.785SS**  trans-49.4131.2171.5-69.4-92.3131.200110.8K203 R207K203-E205 PolarHBondContact O-N 3.42Å; E205-R207 PolarHBondContact O-N 2.79Å
206P32.3Very low35.8Very low120 Ų120148.2 Ų148.278%0.77977%0.766SS**  trans-71.2106.6172.629.2-28.9000107.8D208P206-D208 PolarHBondContact O-N 3.42Å
207R32.8Very low35.5Very low239 Ų239147.5 Ų147.590%0.90275%0.751SS**  trans-51.3115.6173.6-87179.5169.4156.2-2.3110.2E205 R209E205-R207 PolarHBondContact O-N 2.79Å; R207-R209 PolarHBondContact O-N 2.99Å
208D31.5Very low35.4Very low153 Ų153147.1 Ų147.182%0.81873%0.734SS**  trans-4594.8164.7-82.2-43.6000111.3P206 K210P206-D208 PolarHBondContact O-N 3.42Å; D208-K210 PolarHBondContact O-N 3.32Å
209R34.9Very low35.6Very low232 Ų232140.5 Ų140.588%0.87570%0.7SS**  trans-77.684.2161.9-95.6-177.6163.4173.2-3.5107.4R207 V211R207-R209 PolarHBondContact O-N 2.99Å; R209-V211 PolarHBondContact O-N 3.44Å
210K28.7Very low35.2Very low186 Ų186134 Ų13481%0.80967%0.668SS**  trans-59.588158.2-83-179.4177174.40108.3D208 V212D208-K210 PolarHBondContact O-N 3.32Å; K210-V212 VanDerWaalsContact C-N 3.34Å; K210-V212 PolarHBondContact O-N 3.28Å
211V33.9Very low35.4Very low117 Ų117129 Ų12971%0.70963%0.632SS**  trans-68.298.8166.7177.30000106.1R209 R213R209-V211 PolarHBondContact O-N 3.44Å; V211-R213 VanDerWaalsContact C-N 3.32Å; V211-R213 PolarHBondContact O-N 2.83Å
212V29.2Very low35.4Very low131 Ų131130.4 Ų130.479%0.79462%0.622SS**  trans-61.898.4168.8175.60000107K210 Q214K210-V212 VanDerWaalsContact C-N 3.34Å; K210-V212 PolarHBondContact O-N 3.28Å; V212-Q214 PolarHBondContact O-N 2.82Å
213R31.9Very low35.6Very low136 Ų136123.3 Ų123.351%0.51359%0.592SS.*  trans-76.187.3-176.9-141173.3179.9162.1-0.8107.8V211 K215 D235V211-R213 VanDerWaalsContact C-N 3.32Å; V211-R213 PolarHBondContact O-N 2.83Å; R213-K215 PolarHBondContact O-N 3.12Å; R213-K215 VanDerWaalsContact O-N 3.15Å; R213-D235 PolarHBondContact NH1-O 2.96Å
214Q32.3Very low36.5Very low103 Ų103114.3 Ų114.348%0.48155%0.553SS.*  trans-57.3119.7163.5-89.5-176.6-37.300107.7V212 T216V212-Q214 PolarHBondContact O-N 2.82Å; Q214-T216 PolarHBondContact O-N 3.32Å; Q214-T216 PolarHBondContact O-OG1 3.15Å; Q214-T216 VanDerWaalsContact O-OG1 3.12Å
215K30.6Very low36.7Very low184 Ų184109.1 Ų109.180%0.853%0.525SS*.  trans-45.6100.1172.7-80-180173.1-178.60108.7R213 V217R213-K215 PolarHBondContact O-N 3.12Å; R213-K215 VanDerWaalsContact O-N 3.15Å; K215-V217 WeakPolarHBondContact O-CG2 3.25Å; K215-V217 PolarHBondContact O-N 2.99Å
216T32.3Very low37.1Very low61 Ų61106.5 Ų106.537%0.37452%0.52SS..  trans-87.297.7174.5-52.20000105.5Q214 F218Q214-T216 PolarHBondContact O-N 3.32Å; Q214-T216 PolarHBondContact O-OG1 3.15Å; Q214-T216 VanDerWaalsContact O-OG1 3.12Å; T216-F218 HydrophobicContact CG2-CD2 4.29Å; T216-F218 PolarHBondContact O-N 2.76Å
217V36.5Very low37.3Very low89 Ų89110.4 Ų110.454%0.53953%0.528SS..THydrogen-bonded Turntrans-73.136.7-169-156.50000113.2K215K215-V217 WeakPolarHBondContact O-CG2 3.25Å; K215-V217 PolarHBondContact O-N 2.99Å
218F44.6Very low37.5Very low113 Ų113102.1 Ų102.150%0.49651%0.51SS..THydrogen-bonded Turntrans-122.211.5-171.4-74.5-75.5000115K67 F69 T216K67-F218 HydrophobicContact CG-CD1 4.32Å; F69-F218 HydrophobicContact CE1-CE1 4.28Å; F69-F218 HydrophobicContact CE1-CE2 4.32Å; F69-F218 HydrophobicContact CE1-CZ 4.13Å; T216-F218 HydrophobicContact CG2-CD2 4.29Å; T216-F218 PolarHBondContact O-N 2.76Å
219S40.5Very low37.9Very low22 Ų2298.6 Ų98.615%0.15450%0.502CS..  trans-81.6139.2177.285.80000112W221 V239 G240S219-W221 PolarHBondContact O-N 2.87Å; S219-V239 VanDerWaalsContact CB-C 3.49Å; S219-V239 WeakPolarHBondContact CB-O 3.35Å; S219-V239 PolarHBondContact OG-O 3.43Å; S219-G240 VanDerWaalsContact CB-CA 3.41Å; S219-G240 WeakPolarHBondContact OG-CA 3.21Å
220T46.5Very low38.3Very low30 Ų3092.7 Ų92.718%0.18449%0.494CS..Hα-helixtrans-57.3-15.3175.6160000114.1L64 I224L64-T220 HydrophobicContact CD2-CG2 3.44Å; L64-T220 VanDerWaalsContact CD2-CG2 3.44Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.49Å
221W41.2Very low39.3Very low23 Ų2386.9 Ų86.99%0.08747%0.471CS..Hα-helixtrans-78.1-51.8-169.3176.1-106.6000115.1S219 S223 I224 Q225 L231 G241 L243S219-W221 PolarHBondContact O-N 2.87Å; W221-S223 PolarHBondContact O-N 3.47Å; W221-I224 PolarHBondContact O-N 3.08Å; W221-I224 VanDerWaalsContact O-N 3.16Å; W221-Q225 HydrophobicContact CE3-CG 4.36Å; W221-L231 HydrophobicContact CZ2-CB 4.35Å; W221-G241 WeakPolarHBondContact CB-O 3.24Å; W221-L243 HydrophobicContact CH2-CB 4.23Å; W221-L243 HydrophobicContact CH2-CD1 3.55Å; W221-L243 HydrophobicContact CH2-CG 3.48Å; W221-L243 VanDerWaalsContact CH2-CG 3.48Å; W221-L243 HydrophobicContact CZ3-CB 4.18Å; W221-L243 HydrophobicContact CZ3-CD1 4.32Å; W221-L243 HydrophobicContact CZ3-CG 3.8Å
222E40.8Very low40.3Very low128 Ų12888.4 Ų88.460%0.59848%0.475SS*.Hα-helixtrans-60.3-21.2179.1-74.7-172.7152.400111.6
223S44.5Very low41.7Very low30 Ų3084.3 Ų84.321%0.2145%0.449CS..Hα-helixtrans-79.2-54.4175.8-80.60000112.1K62 W221 Q225K62-S223 WeakPolarHBondContact CD-O 3.32Å; K62-S223 WeakPolarHBondContact CE-O 3.32Å; K62-S223 VanDerWaalsContact CG-CB 3.45Å; K62-S223 PolarHBondContact NZ-O 3.39Å; W221-S223 PolarHBondContact O-N 3.47Å; S223-Q225 PolarHBondContact O-N 2.76Å
224I49.3Very low42.9Very low2 Ų279.5 Ų79.51%0.0144%0.442CS..Hα-helixtrans-79.4-23.1-162.4-65.1169.2000113.5T141 A144 L145 T220 W221 I242T141-I224 HydrophobicContact CG2-CG2 3.94Å; A144-I224 HydrophobicContact CB-CG2 4.05Å; L145-I224 HydrophobicContact CD1-CD1 4.35Å; T220-I224 WeakPolarHBondContact O-CG1 3.45Å; T220-I224 PolarHBondContact O-N 3.49Å; W221-I224 PolarHBondContact O-N 3.08Å; W221-I224 VanDerWaalsContact O-N 3.16Å; I224-I242 HydrophobicContact CD1-CD1 3.48Å; I224-I242 VanDerWaalsContact CD1-CD1 3.48Å; I224-I242 HydrophobicContact CD1-CG1 4.06Å; I224-I242 HydrophobicContact CG2-CD1 4.49Å
225Q42.3Very low44.3Very low44 Ų4481.6 Ų81.621%0.20646%0.456CS..  trans-73.7135.4178.7-66.1-167.5-23.700112.8W221 S223W221-Q225 HydrophobicContact CE3-CG 4.36Å; S223-Q225 PolarHBondContact O-N 2.76Å
226T41.5Very low46Very low94 Ų9477.9 Ų77.958%0.57744%0.442SS*.  trans-96.1113.2174.3-43.20000106.6A228T226-A228 PolarHBondContact O-N 3.19Å
227E38.1Very low47.9Very low202 Ų20275.8 Ų75.894%0.94443%0.427SS*.SBendtrans42.77.1167.4-65.3-169.6167.800120.1
228A37.2Very low49.4Very low64 Ų6472.3 Ų72.353%0.52941%0.406SS..  trans-81.4127.817100000107.9T226T226-A228 PolarHBondContact O-N 3.19Å
229A39.5Very low50.3Low79 Ų7971.1 Ų71.165%0.65341%0.408SS*.  trans-44.7138.4175.300000110.1L231A229-L231 PolarHBondContact O-N 3.32Å
230P43.1Very low51.9Low109 Ų10970.2 Ų70.271%0.70840%0.403SS*.  trans-47.4118.1175.8-23.130.7000107.7D232P230-D232 VanDerWaalsContact C-N 3.35Å; P230-D232 PolarHBondContact O-N 3.26Å
231L49.7Very low53.8Low64 Ų6468.8 Ų68.834%0.33539%0.394SS..  trans-63.1109.8169.1-76.2163.6000105W221 A229 L233 L243W221-L231 HydrophobicContact CZ2-CB 4.35Å; A229-L231 PolarHBondContact O-N 3.32Å; L231-L233 PolarHBondContact O-N 3.02Å; L231-L243 HydrophobicContact CD1-CD1 3.19Å; L231-L243 HydrophobicContact CG-CD1 4.46Å
232D54.2Low56.2Low148 Ų14867.9 Ų67.979%0.79139%0.39SS*.  trans-67.686.8172.1-172.611.8000106.7P230 G234P230-D232 VanDerWaalsContact C-N 3.35Å; P230-D232 PolarHBondContact O-N 3.26Å; D232-G234 PolarHBondContact O-N 3.4Å; D232-G234 WeakPolarHBondContact OD1-CA 3.42Å; D232-G234 PolarHBondContact OD1-N 3.27Å; D232-G234 VanDerWaalsContact OD1-N 3.09Å
233L59.4Low58.7Low45 Ų4563.3 Ų63.324%0.23637%0.37CS..  trans-70.21.6172.5-67.1172.5000110.7M173 L231 Y237 L253M173-L233 HydrophobicContact CE-CD2 3.78Å; M173-L233 HydrophobicContact SD-CD2 4.47Å; L231-L233 PolarHBondContact O-N 3.02Å; L233-Y237 HydrophobicContact CB-CD2 3.74Å; L233-Y237 HydrophobicContact CB-CG 4.19Å; L233-Y237 WeakPolarHBondContact O-CD2 3.48Å; L233-L253 HydrophobicContact CD1-CD1 4.24Å
234G56.8Low61Low35 Ų3561.9 Ų61.936%0.36136%0.36SS..  trans76.6168.5-170.700000111.8D232 E236D232-G234 PolarHBondContact O-N 3.4Å; D232-G234 WeakPolarHBondContact OD1-CA 3.42Å; D232-G234 PolarHBondContact OD1-N 3.27Å; D232-G234 VanDerWaalsContact OD1-N 3.09Å; G234-E236 PolarHBondContact O-N 3.4Å
235D61.5Low63.1Low147 Ų14765.5 Ų65.579%0.78638%0.377SS*.THydrogen-bonded Turntrans-63.6-11.7-180-75-45.9000114.3R213 Y237R213-D235 PolarHBondContact NH1-O 2.96Å; D235-Y237 VanDerWaalsContact C-N 3.34Å; D235-Y237 PolarHBondContact O-N 3.09Å
236E67Low65.6Low106 Ų10663.5 Ų63.550%0.49537%0.367SS..THydrogen-bonded Turntrans-66.1-31.6-176.8-169.9179.9171.100113.2K180 G234K180-E236 IonicContact NZ-OE1 2.94Å; K180-E236 PolarHBondContact NZ-OE1 3.17Å; G234-E236 PolarHBondContact O-N 3.4Å
237Y71Confident67.9Low17 Ų1763.4 Ų63.47%0.06736%0.363CS..SBendtrans-99.9142.7-176.7-62.5-89.5000111.5H171 M173 L233 D235 V239 L253H171-Y237 AromaticContact CD2-CE1 3.72Å; H171-Y237 AromaticContact NE2-CE1 3.43Å; H171-Y237 WeakPolarHBondContact NE2-CE1 3.29Å; M173-Y237 HydrophobicContact CE-CE1 4.13Å; M173-Y237 HydrophobicContact CE-CE2 3.99Å; M173-Y237 HydrophobicContact CG-CE1 4.15Å; L233-Y237 HydrophobicContact CB-CD2 3.74Å; L233-Y237 HydrophobicContact CB-CG 4.19Å; L233-Y237 WeakPolarHBondContact O-CD2 3.48Å; D235-Y237 VanDerWaalsContact C-N 3.34Å; D235-Y237 PolarHBondContact O-N 3.09Å; Y237-V239 PolarHBondContact O-N 2.93Å; Y237-L253 HydrophobicContact CD1-CD2 3.88Å; Y237-L253 HydrophobicContact CG-CD2 4.45Å
238P67.7Low70.4Confident17 Ų1758.5 Ų58.511%0.1134%0.342CS..  trans-63141.4173.827-32.6000109P91 I94 G240 F255P91-P238 HydrophobicContact CB-CB 4.24Å; P91-P238 HydrophobicContact CB-CG 3.91Å; P91-P238 HydrophobicContact CG-CG 3.78Å; I94-P238 HydrophobicContact CD1-CG 3.93Å; I94-P238 HydrophobicContact CG1-CG 4.2Å; I94-P238 VanDerWaalsContact CG2-CD 3.48Å; I94-P238 HydrophobicContact CG2-CG 4.27Å; P238-G240 PolarHBondContact O-N 3.49Å; P238-F255 HydrophobicContact CG-CE1 4.06Å; P238-F255 HydrophobicContact CG-CZ 3.73Å
239V65.1Low72.9Confident87 Ų8755.9 Ų55.953%0.52732%0.322SS..SBendtrans-57.7113.5172.8-175.20000107S219 Y237S219-V239 VanDerWaalsContact CB-C 3.49Å; S219-V239 WeakPolarHBondContact CB-O 3.35Å; S219-V239 PolarHBondContact OG-O 3.43Å; Y237-V239 PolarHBondContact O-N 2.93Å
240G73.7Confident75.5Confident4 Ų454.7 Ų54.74%0.04130%0.303CS..  trans139.1175.2-169.900000114.7S219 P238S219-G240 VanDerWaalsContact CB-CA 3.41Å; S219-G240 WeakPolarHBondContact OG-CA 3.21Å; P238-G240 PolarHBondContact O-N 3.49Å
241G85.9Confident77.9Confident0 Ų053.7 Ų53.70%029%0.285CS..  trans108.5-179.917800000112.9W221 L254W221-G241 WeakPolarHBondContact CB-O 3.24Å; G241-L254 CarbonylContact C-O 3.55Å; G241-L254 VanDerWaalsContact C-O 3.23Å; G241-L254 WeakPolarHBondContact CA-O 3.48Å
242I91.9Very high80.1Confident3 Ų350.7 Ų50.72%0.01527%0.269CS..  trans-135.4129.5164.4-60.3178.2000105.2T141 L145 I224 L254 L256T141-I242 HydrophobicContact CG2-CG2 3.32Å; L145-I242 HydrophobicContact CD1-CD1 3.92Å; L145-I242 HydrophobicContact CD2-CD1 4.17Å; L145-I242 HydrophobicContact CG-CD1 4.47Å; I224-I242 HydrophobicContact CD1-CD1 3.48Å; I224-I242 VanDerWaalsContact CD1-CD1 3.48Å; I224-I242 HydrophobicContact CD1-CG1 4.06Å; I224-I242 HydrophobicContact CG2-CD1 4.49Å; I242-L254 HydrophobicContact CB-CB 4.25Å; I242-L254 PolarHBondContact N-O 2.99Å; I242-L254 WeakPolarHBondContact O-CB 3.46Å; I242-L254 WeakPolarHBondContact O-CG 3.25Å; I242-L254 PolarHBondContact O-N 3Å; I242-L256 HydrophobicContact CD1-CD2 3.89Å; I242-L256 HydrophobicContact CD1-CG 4.39Å
243L92.6Very high82Confident33 Ų3343.6 Ų43.617%0.17323%0.231CC..EExtended strand (participates in β ladder)trans-77.7134177.7-79.1174.7000109.1M173 W221 L231 L252 L253M173-L243 HydrophobicContact SD-CD2 4.12Å; W221-L243 HydrophobicContact CH2-CB 4.23Å; W221-L243 HydrophobicContact CH2-CD1 3.55Å; W221-L243 HydrophobicContact CH2-CG 3.48Å; W221-L243 VanDerWaalsContact CH2-CG 3.48Å; W221-L243 HydrophobicContact CZ3-CB 4.18Å; W221-L243 HydrophobicContact CZ3-CD1 4.32Å; W221-L243 HydrophobicContact CZ3-CG 3.8Å; L231-L243 HydrophobicContact CD1-CD1 3.19Å; L231-L243 HydrophobicContact CG-CD1 4.46Å; L243-L252 WeakPolarHBondContact CA-O 3.49Å; L243-L253 HydrophobicContact CD2-CD1 3.99Å; L243-L253 HydrophobicContact CG-CD1 4.37Å
244A94.4Very high83.7Confident0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-140.4176.2176.100000108.8I135 L136 I137 L252 L254I135-A244 HydrophobicContact CG2-CB 3.94Å; L136-A244 CarbonylContact O-C 3.53Å; L136-A244 VanDerWaalsContact O-CA 3.29Å; L136-A244 WeakPolarHBondContact O-CA 3.27Å; L136-A244 VanDerWaalsContact O-CB 3.32Å; L136-A244 WeakPolarHBondContact O-CB 3.34Å; I137-A244 HydrophobicContact CG1-CB 4.04Å; A244-L252 HydrophobicContact CB-CB 4.14Å; A244-L252 PolarHBondContact N-O 3.22Å; A244-L252 PolarHBondContact O-N 3.46Å; A244-L254 HydrophobicContact CB-CD1 3.61Å; A244-L254 HydrophobicContact CB-CD2 4.23Å; A244-L254 HydrophobicContact CB-CG 3.84Å
245H93.2Very high85.6Confident78 Ų7840.3 Ų40.336%0.36121%0.205SC..EExtended strand (participates in β ladder)trans-131160.4169.9-59.975.2000109.2L136 E250L136-H245 WeakPolarHBondContact CA-O 3.38Å; L136-H245 HydrophobicContact CB-CB 4.5Å; L136-H245 VanDerWaalsContact CB-O 3.27Å; L136-H245 WeakPolarHBondContact CB-O 3.29Å; L136-H245 PolarHBondContact N-O 3.14Å; L136-H245 PolarHBondContact O-N 2.65Å; H245-E250 CarbonylContact C-O 3.55Å; H245-E250 WeakPolarHBondContact CA-O 3.34Å
246N93.3Very high87.2Confident1 Ų133.5 Ų33.51%0.00517%0.168CC..  trans-96.3176.3165.576.88.5000110.6N133 L248 G249 E250 L252N133-N246 HydrophobicContact CB-CB 3.86Å; N133-N246 CarbonylContact O-C 3.59Å; N133-N246 WeakPolarHBondContact O-CA 3.44Å; N133-N246 WeakPolarHBondContact O-CB 3.4Å; N246-L248 PolarHBondContact O-N 2.98Å; N246-L248 WeakPolarHBondContact OD1-CA 3.29Å; N246-L248 VanDerWaalsContact OD1-CB 3.28Å; N246-L248 WeakPolarHBondContact OD1-CB 3.38Å; N246-L248 PolarHBondContact OD1-N 3.33Å; N246-G249 PolarHBondContact O-N 2.7Å; N246-G249 PolarHBondContact OD1-N 2.98Å; N246-G249 VanDerWaalsContact OD1-N 3.07Å; N246-E250 PolarHBondContact N-O 2.89Å; N246-E250 PolarHBondContact ND2-OE2 3.2Å; N246-E250 PolarHBondContact OD1-N 2.78Å; N246-L252 HydrophobicContact CB-CD1 4.04Å; N246-L252 HydrophobicContact CB-CG 4.41Å
247I90.4Very high88.6Confident93 Ų9328.5 Ų28.548%0.47715%0.146SC..THydrogen-bonded Turntrans-64.9-19.8178.765.8174.2000113.5K132 N133K132-I247 WeakPolarHBondContact O-CD1 3.39Å; N133-I247 WeakPolarHBondContact O-CG1 3.32Å; N133-I247 WeakPolarHBondContact O-CG2 3.48Å; N133-I247 PolarHBondContact O-N 3.18Å
248L91.7Very high89.9Confident98 Ų9827.7 Ų27.751%0.51314%0.143SC..THydrogen-bonded Turntrans-80.9-9.4176.3-53.9176.1000111.6N246 E250 F316N246-L248 PolarHBondContact O-N 2.98Å; N246-L248 WeakPolarHBondContact OD1-CA 3.29Å; N246-L248 VanDerWaalsContact OD1-CB 3.28Å; N246-L248 WeakPolarHBondContact OD1-CB 3.38Å; N246-L248 PolarHBondContact OD1-N 3.33Å; L248-E250 HydrophobicContact CB-CG 4.28Å; L248-F316 WeakPolarHBondContact O-CZ 3.08Å
249G89.8Confident91.2Very high10 Ų1028.1 Ų28.110%0.10314%0.144CC..  trans88.43.6-177.100000114.5N246N246-G249 PolarHBondContact O-N 2.7Å; N246-G249 PolarHBondContact OD1-N 2.98Å; N246-G249 VanDerWaalsContact OD1-N 3.07Å
250E93.4Very high92.4Very high53 Ų5326.5 Ų26.525%0.24813%0.132CC..  trans-69.1143.4175.3-56.4171.7162.300110N172 D174 H245 N246 L248N172-E250 PolarHBondContact ND2-OE2 3.03Å; D174-E250 HydrophobicContact CB-CB 4.28Å; D174-E250 HydrophobicContact CB-CG 4.36Å; D174-E250 WeakPolarHBondContact OD2-CA 3.46Å; H245-E250 CarbonylContact C-O 3.55Å; H245-E250 WeakPolarHBondContact CA-O 3.34Å; N246-E250 PolarHBondContact N-O 2.89Å; N246-E250 PolarHBondContact ND2-OE2 3.2Å; N246-E250 PolarHBondContact OD1-N 2.78Å; L248-E250 HydrophobicContact CB-CG 4.28Å
251R93.6Very high93.3Very high89 Ų8926.5 Ų26.534%0.33613%0.131SC..EExtended strand (participates in β ladder)trans-82.5126.2-178.9-62.1171.6-67.9161.10.7109.4M173 D174M173-R251 HydrophobicContact CB-CB 4.25Å; M173-R251 PolarHBondContact N-O 3.14Å; M173-R251 HydrophobicContact SD-CB 4.05Å; D174-R251 IonicContact OD1-CZ 3.89Å; D174-R251 IonicContact OD1-NE 3.36Å; D174-R251 PolarHBondContact OD1-NE 3.44Å; D174-R251 IonicContact OD1-NH2 3.22Å; D174-R251 PolarHBondContact OD1-NH2 2.76Å; D174-R251 WeakPolarHBondContact OD2-CB 3.16Å; D174-R251 PolarHBondContact OD2-N 2.91Å; D174-R251 IonicContact OD2-NE 3.45Å; D174-R251 PolarHBondContact OD2-NE 2.79Å; D174-R251 IonicContact OD2-NH2 3.9Å
252L94.5Very high93.5Very high0 Ų027 Ų270%013%0.134CC..EExtended strand (participates in β ladder)trans-113.8141.1178.7-54.5-176.9000110.2I170 H171 N172 L243 A244 N246 L254I170-L252 HydrophobicContact CG2-CB 4.23Å; I170-L252 HydrophobicContact CG2-CD1 4.09Å; I170-L252 HydrophobicContact CG2-CD2 4.01Å; I170-L252 HydrophobicContact CG2-CG 4.34Å; H171-L252 CarbonylContact O-C 3.53Å; H171-L252 WeakPolarHBondContact O-CA 3.48Å; N172-L252 HydrophobicContact CB-CD2 3.94Å; L243-L252 WeakPolarHBondContact CA-O 3.49Å; A244-L252 HydrophobicContact CB-CB 4.14Å; A244-L252 PolarHBondContact N-O 3.22Å; A244-L252 PolarHBondContact O-N 3.46Å; N246-L252 HydrophobicContact CB-CD1 4.04Å; N246-L252 HydrophobicContact CB-CG 4.41Å; L252-L254 HydrophobicContact CB-CD2 4.13Å
253L94.9Very high92.7Very high0 Ų030 Ų300%015%0.148CC..EExtended strand (participates in β ladder)trans-112.2115.3167.2-17065.9000109.1H171 L233 Y237 L243 F255H171-L253 HydrophobicContact CB-CB 4.31Å; H171-L253 PolarHBondContact N-O 2.85Å; H171-L253 PolarHBondContact O-N 3.29Å; L233-L253 HydrophobicContact CD1-CD1 4.24Å; Y237-L253 HydrophobicContact CD1-CD2 3.88Å; Y237-L253 HydrophobicContact CG-CD2 4.45Å; L243-L253 HydrophobicContact CD2-CD1 3.99Å; L243-L253 HydrophobicContact CG-CD1 4.37Å; L253-F255 HydrophobicContact CB-CE2 4.36Å; L253-F255 HydrophobicContact CD2-CE2 3.66Å; L253-F255 HydrophobicContact CD2-CZ 3.6Å; L253-F255 HydrophobicContact CG-CE2 3.65Å; L253-F255 HydrophobicContact CG-CZ 3.89Å
254L95.6Very high91.6Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-99.4127.3-173.9-48.2179.5000111.4I135 I137 L168 G169 I170 G241 I242 A244 L252 F306I135-L254 HydrophobicContact CG2-CD1 3.61Å; I135-L254 HydrophobicContact CG2-CD2 4.02Å; I135-L254 HydrophobicContact CG2-CG 4.43Å; I137-L254 HydrophobicContact CD1-CD1 3.93Å; I137-L254 HydrophobicContact CG1-CD1 4.35Å; L168-L254 HydrophobicContact CD1-CB 4.17Å; L168-L254 HydrophobicContact CD1-CD2 4.48Å; G169-L254 WeakPolarHBondContact O-CA 3.45Å; I170-L254 HydrophobicContact CB-CD2 4.39Å; I170-L254 HydrophobicContact CD1-CD2 4.38Å; I170-L254 HydrophobicContact CG1-CD2 3.94Å; I170-L254 HydrophobicContact CG2-CD2 4.05Å; G241-L254 CarbonylContact C-O 3.55Å; G241-L254 VanDerWaalsContact C-O 3.23Å; G241-L254 WeakPolarHBondContact CA-O 3.48Å; I242-L254 HydrophobicContact CB-CB 4.25Å; I242-L254 PolarHBondContact N-O 2.99Å; I242-L254 WeakPolarHBondContact O-CB 3.46Å; I242-L254 WeakPolarHBondContact O-CG 3.25Å; I242-L254 PolarHBondContact O-N 3Å; A244-L254 HydrophobicContact CB-CD1 3.61Å; A244-L254 HydrophobicContact CB-CD2 4.23Å; A244-L254 HydrophobicContact CB-CG 3.84Å; L252-L254 HydrophobicContact CB-CD2 4.13Å; L254-F306 HydrophobicContact CD1-CE1 4.16Å
255F95.5Very high89.9Confident11 Ų1130.6 Ų30.65%0.04815%0.15CC..EExtended strand (participates in β ladder)trans-111.4121.8170.5-65.4-90.7000108.7L90 P91 I94 L96 L168 G169 P238 L253L90-F255 HydrophobicContact CD2-CB 4.07Å; P91-F255 HydrophobicContact CG-CD1 3.84Å; P91-F255 HydrophobicContact CG-CD2 4.16Å; P91-F255 HydrophobicContact CG-CE1 3.76Å; P91-F255 HydrophobicContact CG-CE2 4.11Å; P91-F255 HydrophobicContact CG-CG 4.04Å; P91-F255 HydrophobicContact CG-CZ 3.91Å; I94-F255 HydrophobicContact CD1-CD2 4.2Å; I94-F255 HydrophobicContact CD1-CE2 3.35Å; I94-F255 HydrophobicContact CD1-CZ 3.78Å; L96-F255 HydrophobicContact CD2-CD2 4.17Å; L168-F255 CarbonylContact C-O 3.53Å; L168-F255 WeakPolarHBondContact CA-O 3.44Å; G169-F255 PolarHBondContact N-O 3.25Å; G169-F255 PolarHBondContact O-N 3.25Å; P238-F255 HydrophobicContact CG-CE1 4.06Å; P238-F255 HydrophobicContact CG-CZ 3.73Å; L253-F255 HydrophobicContact CB-CE2 4.36Å; L253-F255 HydrophobicContact CD2-CE2 3.66Å; L253-F255 HydrophobicContact CD2-CZ 3.6Å; L253-F255 HydrophobicContact CG-CE2 3.65Å; L253-F255 HydrophobicContact CG-CZ 3.89Å
256L96.6Very high88.3Confident3 Ų336.2 Ų36.22%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-143.8149.9-174.563.590000113.3L64 L145 L166 L167 L168 I242 F306L64-L256 HydrophobicContact CD1-CD1 3.38Å; L64-L256 HydrophobicContact CD2-CD1 3.58Å; L64-L256 HydrophobicContact CG-CD1 4.07Å; L145-L256 HydrophobicContact CD1-CD1 3.78Å; L145-L256 HydrophobicContact CD1-CD2 4.16Å; L145-L256 HydrophobicContact CD2-CD2 4.22Å; L166-L256 HydrophobicContact CD1-CB 4.41Å; L166-L256 HydrophobicContact CD1-CD1 4.14Å; L167-L256 WeakPolarHBondContact O-CA 3.47Å; L168-L256 HydrophobicContact CD1-CB 4.03Å; L168-L256 HydrophobicContact CD1-CD2 4.27Å; I242-L256 HydrophobicContact CD1-CD2 3.89Å; I242-L256 HydrophobicContact CD1-CG 4.39Å; L256-F306 HydrophobicContact CD2-CZ 4.01Å
257G96.7Very high86.4Confident2 Ų239.7 Ų39.72%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-167.8152.717700000111.5L167L167-G257 PolarHBondContact N-O 3.44Å; L167-G257 PolarHBondContact O-N 3.36Å; L167-G257 VanDerWaalsContact O-N 3.09Å
258I97Very high84.8Confident0 Ų039.1 Ų39.10%018%0.18CC..EExtended strand (participates in β ladder)trans-80.4133.7175.9-60.8175.6000108.6L64 L65 P66 D152 L156 Y164 S165 L166 I261 F297L64-I258 HydrophobicContact CB-CD1 4.49Å; L64-I258 HydrophobicContact CB-CG1 4.2Å; L64-I258 PolarHBondContact O-N 2.82Å; L65-I258 HydrophobicContact CD2-CB 4.29Å; L65-I258 HydrophobicContact CD2-CD1 4.17Å; L65-I258 HydrophobicContact CD2-CG2 4.39Å; P66-I258 WeakPolarHBondContact CD-O 3.28Å; P66-I258 VanDerWaalsContact CG-O 3.24Å; P66-I258 WeakPolarHBondContact CG-O 3.45Å; D152-I258 HydrophobicContact CB-CD1 3.88Å; L156-I258 HydrophobicContact CD1-CD1 4.19Å; L156-I258 HydrophobicContact CD1-CG2 4.06Å; Y164-I258 HydrophobicContact CD2-CG2 3.87Å; Y164-I258 HydrophobicContact CG-CG2 4.22Å; S165-I258 CarbonylContact O-C 3.55Å; S165-I258 VanDerWaalsContact O-CA 3.29Å; S165-I258 WeakPolarHBondContact O-CA 3.22Å; L166-I258 HydrophobicContact CD1-CG1 4.08Å; I258-I261 HydrophobicContact CG2-CG2 3.68Å; I258-F297 HydrophobicContact CD1-CE1 4.43Å; I258-F297 HydrophobicContact CG1-CZ 4.42Å
259I94.6Very high83Confident26 Ų2638.8 Ų38.813%0.13318%0.175CC..EExtended strand (participates in β ladder)trans-123.2167.1-178.361.9163.5000112.2I89 Y164 S165 L167 I261I89-I259 HydrophobicContact CD1-CG2 3.53Å; Y164-I259 WeakPolarHBondContact CA-O 3.43Å; Y164-I259 VanDerWaalsContact CB-O 3.32Å; Y164-I259 WeakPolarHBondContact CB-O 3.49Å; S165-I259 PolarHBondContact N-O 2.72Å; S165-I259 PolarHBondContact O-N 2.98Å; L167-I259 HydrophobicContact CB-CD1 4Å; L167-I259 HydrophobicContact CB-CG1 4.17Å; L167-I259 HydrophobicContact CB-CG2 3.88Å; L167-I259 HydrophobicContact CD1-CD1 4.48Å; L167-I259 HydrophobicContact CD2-CD1 4.47Å; L167-I259 HydrophobicContact CD2-CG2 4.19Å; I259-I261 PolarHBondContact O-N 2.59Å
260D90.7Very high81.4Confident53 Ų5347.9 Ų47.928%0.28321%0.206SC..  trans58.138176.7-74.5-17.3000115.9K36 L262K36-D260 IonicContact NZ-OD1 2.76Å; K36-D260 PolarHBondContact NZ-OD1 3.05Å; D260-L262 PolarHBondContact O-N 3.34Å
261I93.4Very high79.7Confident3 Ų351.1 Ų51.12%0.01522%0.222CC..THydrogen-bonded Turntrans-78.54.6-178.168.4161.3000115.1L49 L65 P66 F68 L156 I161 I258 I259L49-I261 HydrophobicContact CD2-CD1 4.08Å; L65-I261 HydrophobicContact CD2-CG2 4.39Å; P66-I261 HydrophobicContact CG-CD1 4.22Å; P66-I261 HydrophobicContact CG-CG1 4.14Å; F68-I261 HydrophobicContact CE2-CD1 3.86Å; F68-I261 HydrophobicContact CE2-CG1 4.46Å; F68-I261 HydrophobicContact CZ-CD1 3.9Å; F68-I261 HydrophobicContact CZ-CG1 4Å; L156-I261 HydrophobicContact CD1-CG2 4.48Å; L156-I261 HydrophobicContact CD2-CB 3.83Å; L156-I261 HydrophobicContact CD2-CG2 3.69Å; I161-I261 WeakPolarHBondContact CD1-O 3.47Å; I161-I261 HydrophobicContact CG2-CB 4.32Å; I161-I261 VanDerWaalsContact CG2-O 3.32Å; I161-I261 WeakPolarHBondContact CG2-O 3.39Å; I258-I261 HydrophobicContact CG2-CG2 3.68Å; I259-I261 PolarHBondContact O-N 2.59Å
262L90.1Very high78Confident12 Ų1248.3 Ų48.36%0.06321%0.213CC..THydrogen-bonded Turntrans-93.33-175.5-59.9-178.4000114V38 E42 F45 L46 L49 F68 I84 D260 N264V38-L262 HydrophobicContact CG1-CD1 4.31Å; E42-L262 HydrophobicContact CB-CB 4.12Å; E42-L262 HydrophobicContact CB-CD1 4.41Å; E42-L262 HydrophobicContact CG-CB 4.23Å; F45-L262 HydrophobicContact CD1-CD2 4.37Å; F45-L262 WeakPolarHBondContact CD1-O 3.44Å; L46-L262 HydrophobicContact CB-CD2 3.94Å; L46-L262 HydrophobicContact CD1-CD2 4.1Å; L49-L262 HydrophobicContact CD2-CD2 4.46Å; F68-L262 HydrophobicContact CZ-CD2 4.02Å; F68-L262 HydrophobicContact CZ-CG 4.45Å; I84-L262 HydrophobicContact CD1-CD1 3.28Å; D260-L262 PolarHBondContact O-N 3.34Å; L262-N264 PolarHBondContact O-N 3.17Å
263Q75.5Confident76.1Confident66 Ų6654.5 Ų54.531%0.30824%0.242SC..  trans-86.9105.4177.1-62.7-175.4-18.800110.4
264N69Low74.3Confident29 Ų2956 Ų5616%0.15526%0.257CS..BIsolated β-bridgetrans-89.8123.2178.2-173.8-17.5000111.8F45 L262 R266 L267F45-N264 HydrophobicContact CD1-CB 4.31Å; F45-N264 HydrophobicContact CD2-CB 3.71Å; F45-N264 VanDerWaalsContact CD2-ND2 3.25Å; F45-N264 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N264 HydrophobicContact CE1-CB 4.28Å; F45-N264 HydrophobicContact CE2-CB 3.68Å; F45-N264 WeakPolarHBondContact CE2-ND2 3.47Å; F45-N264 HydrophobicContact CG-CB 4.03Å; F45-N264 HydrophobicContact CZ-CB 3.97Å; L262-N264 PolarHBondContact O-N 3.17Å; N264-R266 PolarHBondContact O-N 2.67Å; N264-R266 VanDerWaalsContact O-N 3.14Å; N264-R266 WeakPolarHBondContact OD1-CB 3.25Å; N264-R266 PolarHBondContact OD1-N 3.4Å; N264-L267 PolarHBondContact O-N 2.86Å
265Y59.5Low72.4Confident16 Ų1664.4 Ų64.46%0.06329%0.289CS..Hα-helixtrans-57.6-26.6178.2179.7-133.9000114.3K160 M162 L267 F268 K269 V287 P290K160-Y265 WeakPolarHBondContact O-CB 3.09Å; K160-Y265 PolarHBondContact O-N 2.98Å; M162-Y265 HydrophobicContact CE-CD1 4.24Å; M162-Y265 HydrophobicContact CE-CD2 3.14Å; M162-Y265 HydrophobicContact CE-CE2 3.78Å; M162-Y265 HydrophobicContact CE-CG 3.45Å; M162-Y265 VanDerWaalsContact CE-CG 3.45Å; M162-Y265 HydrophobicContact SD-CD1 4.14Å; M162-Y265 HydrophobicContact SD-CD2 4.1Å; M162-Y265 HydrophobicContact SD-CG 3.84Å; Y265-L267 PolarHBondContact O-N 3.13Å; Y265-F268 HydrophobicContact CD2-CB 3.79Å; Y265-F268 HydrophobicContact CE2-CB 4.03Å; Y265-F268 PolarHBondContact O-N 3.13Å; Y265-K269 HydrophobicContact CD1-CD 4.22Å; Y265-K269 HydrophobicContact CE1-CD 3.49Å; Y265-K269 VanDerWaalsContact CE1-CD 3.49Å; Y265-K269 VanDerWaalsContact CE1-CE 3.41Å; Y265-K269 HydrophobicContact CE1-CG 3.85Å; Y265-K269 HydrophobicContact CE2-CB 4.42Å; Y265-K269 HydrophobicContact CE2-CD 4.45Å; Y265-K269 HydrophobicContact CE2-CG 3.89Å; Y265-K269 VanDerWaalsContact CZ-CG 3.49Å; Y265-K269 PolarHBondContact O-N 2.86Å; Y265-K269 WeakPolarHBondContact OH-CE 3.45Å; Y265-K269 WeakPolarHBondContact OH-CG 3.3Å; Y265-V287 HydrophobicContact CD2-CG1 3.74Å; Y265-V287 HydrophobicContact CE2-CB 3.77Å; Y265-V287 HydrophobicContact CE2-CG1 3.01Å; Y265-V287 HydrophobicContact CE2-CG2 4.5Å; Y265-V287 WeakPolarHBondContact OH-CB 3.44Å; Y265-P290 HydrophobicContact CD1-CG 4.11Å
266R59Low70.3Confident195 Ų19569.8 Ų69.874%0.73631%0.313SS*.Hα-helixtrans-54.9-29.4178.2-78-171.3167.2-152.5-1.7112.7N264 R270N264-R266 PolarHBondContact O-N 2.67Å; N264-R266 VanDerWaalsContact O-N 3.14Å; N264-R266 WeakPolarHBondContact OD1-CB 3.25Å; N264-R266 PolarHBondContact OD1-N 3.4Å; R266-R270 WeakPolarHBondContact O-CB 3.47Å; R266-R270 PolarHBondContact O-N 2.98Å; R266-R270 VanDerWaalsContact O-N 3.09Å
267L53.5Low68.2Low74 Ų7474.2 Ų74.239%0.38734%0.344SS..Hα-helixtrans-73.2-44.2175.8-74.5163000112.1K41 N264 Y265 K269 R270 M271K41-L267 HydrophobicContact CB-CD1 4.31Å; K41-L267 HydrophobicContact CD-CD1 3.99Å; K41-L267 HydrophobicContact CD-CD2 4.17Å; N264-L267 PolarHBondContact O-N 2.86Å; Y265-L267 PolarHBondContact O-N 3.13Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.43Å; L267-R270 PolarHBondContact O-N 3.12Å; L267-R270 VanDerWaalsContact O-N 3.17Å; L267-M271 WeakPolarHBondContact O-CG 3.38Å; L267-M271 PolarHBondContact O-N 3.27Å
268F55.9Low66.3Low82 Ų8280.8 Ų80.836%0.3638%0.378SS..Hα-helixtrans-61.9-43.4176-74.7-78000111.1Y265 R270 M271 E272Y265-F268 HydrophobicContact CD2-CB 3.79Å; Y265-F268 HydrophobicContact CE2-CB 4.03Å; Y265-F268 PolarHBondContact O-N 3.13Å; F268-R270 VanDerWaalsContact C-N 3.32Å; F268-R270 PolarHBondContact O-N 3.35Å; F268-M271 HydrophobicContact CD1-CE 4.17Å; F268-M271 HydrophobicContact CE1-CE 4.4Å; F268-M271 PolarHBondContact O-N 2.84Å; F268-E272 WeakPolarHBondContact O-CB 3.33Å; F268-E272 PolarHBondContact O-N 3.09Å
269K53.8Low64.3Low90 Ų9085.4 Ų85.439%0.39140%0.402SS..Hα-helixtrans-60.9-40.1173.5-106.5179.7177.7-169.90112.6Y265 L267 E272 H273Y265-K269 HydrophobicContact CD1-CD 4.22Å; Y265-K269 HydrophobicContact CE1-CD 3.49Å; Y265-K269 VanDerWaalsContact CE1-CD 3.49Å; Y265-K269 VanDerWaalsContact CE1-CE 3.41Å; Y265-K269 HydrophobicContact CE1-CG 3.85Å; Y265-K269 HydrophobicContact CE2-CB 4.42Å; Y265-K269 HydrophobicContact CE2-CD 4.45Å; Y265-K269 HydrophobicContact CE2-CG 3.89Å; Y265-K269 VanDerWaalsContact CZ-CG 3.49Å; Y265-K269 PolarHBondContact O-N 2.86Å; Y265-K269 WeakPolarHBondContact OH-CE 3.45Å; Y265-K269 WeakPolarHBondContact OH-CG 3.3Å; L267-K269 VanDerWaalsContact C-N 3.33Å; L267-K269 PolarHBondContact O-N 3.43Å; K269-E272 PolarHBondContact O-N 3.49Å; K269-H273 PolarHBondContact O-CD2 2.94Å; K269-H273 PolarHBondContact O-N 2.88Å
270R57.6Low61.9Low201 Ų20192.6 Ų92.676%0.75844%0.435SS*.Hα-helixtrans-67.8-35.8177.4-157.2175.9-145.7172.65.4112.3R266 L267 F268 H273 G274R266-R270 WeakPolarHBondContact O-CB 3.47Å; R266-R270 PolarHBondContact O-N 2.98Å; R266-R270 VanDerWaalsContact O-N 3.09Å; L267-R270 PolarHBondContact O-N 3.12Å; L267-R270 VanDerWaalsContact O-N 3.17Å; F268-R270 VanDerWaalsContact C-N 3.32Å; F268-R270 PolarHBondContact O-N 3.35Å; R270-H273 PolarHBondContact O-N 2.8Å; R270-G274 PolarHBondContact O-N 3Å
271M57.2Low59.5Low121 Ų12197.8 Ų97.860%0.59646%0.462SS*.Hα-helixtrans-71.7-40172.9-69.6-159.6-53.100111.9L267 F268 H273 G274 W275L267-M271 WeakPolarHBondContact O-CG 3.38Å; L267-M271 PolarHBondContact O-N 3.27Å; F268-M271 HydrophobicContact CD1-CE 4.17Å; F268-M271 HydrophobicContact CE1-CE 4.4Å; F268-M271 PolarHBondContact O-N 2.84Å; M271-H273 VanDerWaalsContact C-N 3.28Å; M271-H273 PolarHBondContact O-N 3.3Å; M271-G274 PolarHBondContact O-N 3.03Å; M271-W275 WeakPolarHBondContact O-CB 3.39Å; M271-W275 PolarHBondContact O-N 2.85Å
272E57.3Low56.8Low31 Ų31100.8 Ų100.815%0.14550%0.495CS..Hα-helixtrans-59.2-41.2171.1-81.1-167.7107.800110.8F268 K269 W275 K276 V287F268-E272 WeakPolarHBondContact O-CB 3.33Å; F268-E272 PolarHBondContact O-N 3.09Å; K269-E272 PolarHBondContact O-N 3.49Å; E272-W275 PolarHBondContact O-N 2.83Å; E272-K276 HydrophobicContact CB-CD 4.47Å; E272-K276 WeakPolarHBondContact O-CA 3.47Å; E272-K276 WeakPolarHBondContact O-CB 3.14Å; E272-K276 WeakPolarHBondContact O-CG 3.29Å; E272-K276 PolarHBondContact O-N 3.45Å; E272-K276 WeakPolarHBondContact OE1-CE 2.97Å; E272-K276 IonicContact OE1-NZ 3.54Å; E272-K276 PolarHBondContact OE1-NZ 2.93Å; E272-V287 HydrophobicContact CG-CG2 4.23Å; E272-V287 WeakPolarHBondContact OE1-CG2 3.12Å; E272-V287 WeakPolarHBondContact OE2-CG2 3.34Å
273H54.6Low54.2Low129 Ų129108.5 Ų108.560%0.59754%0.536SS*.Hα-helixtrans-66.6-39.5176.1-75.3-59.3000112.4K269 R270 M271 S277K269-H273 PolarHBondContact O-CD2 2.94Å; K269-H273 PolarHBondContact O-N 2.88Å; R270-H273 PolarHBondContact O-N 2.8Å; M271-H273 VanDerWaalsContact C-N 3.28Å; M271-H273 PolarHBondContact O-N 3.3Å; H273-S277 WeakPolarHBondContact O-CB 3.46Å; H273-S277 PolarHBondContact O-N 3.12Å; H273-S277 VanDerWaalsContact O-N 3.12Å; H273-S277 PolarHBondContact O-OG 2.75Å
274G57.5Low52.4Low32 Ų32110.7 Ų110.733%0.3356%0.558SS.*Hα-helixtrans-68.5-39.1175.100000113.1R270 M271 S277 L278R270-G274 PolarHBondContact O-N 3Å; M271-G274 PolarHBondContact O-N 3.03Å; G274-S277 PolarHBondContact O-OG 3.16Å; G274-L278 WeakPolarHBondContact O-CD1 3.48Å; G274-L278 PolarHBondContact O-N 3.02Å
275W54.8Low50.9Low176 Ų176115.2 Ų115.267%0.66758%0.581SS**Hα-helixtrans-78.9-40.2-178.5-168.6-72.6000112.1M271 E272 S277 L278 L279M271-W275 WeakPolarHBondContact O-CB 3.39Å; M271-W275 PolarHBondContact O-N 2.85Å; E272-W275 PolarHBondContact O-N 2.83Å; W275-S277 PolarHBondContact O-N 3.39Å; W275-L278 CarbonylContact O-C 3.57Å; W275-L278 WeakPolarHBondContact O-CA 3.32Å; W275-L278 WeakPolarHBondContact O-CB 3.21Å; W275-L278 PolarHBondContact O-N 3.23Å; W275-L279 HydrophobicContact CD2-CD1 4.17Å; W275-L279 HydrophobicContact CG-CD1 4.43Å; W275-L279 HydrophobicContact CZ2-CD1 3.51Å; W275-L279 PolarHBondContact O-N 2.77Å
276K51.5Low49.9Very low124 Ų124118.4 Ų118.454%0.53961%0.606SS.*Hα-helixtrans-67.7-23.2173-68.9175.8-177.5170.30112.1E272 L278E272-K276 HydrophobicContact CB-CD 4.47Å; E272-K276 WeakPolarHBondContact O-CA 3.47Å; E272-K276 WeakPolarHBondContact O-CB 3.14Å; E272-K276 WeakPolarHBondContact O-CG 3.29Å; E272-K276 PolarHBondContact O-N 3.45Å; E272-K276 WeakPolarHBondContact OE1-CE 2.97Å; E272-K276 IonicContact OE1-NZ 3.54Å; E272-K276 PolarHBondContact OE1-NZ 2.93Å; K276-L278 VanDerWaalsContact C-N 3.27Å
277S52.7Low49.5Very low96 Ų96111.1 Ų111.167%0.67158%0.583SS**THydrogen-bonded Turntrans-75.9-15.1167.164.30000113.8H273 G274 W275H273-S277 WeakPolarHBondContact O-CB 3.46Å; H273-S277 PolarHBondContact O-N 3.12Å; H273-S277 VanDerWaalsContact O-N 3.12Å; H273-S277 PolarHBondContact O-OG 2.75Å; G274-S277 PolarHBondContact O-OG 3.16Å; W275-S277 PolarHBondContact O-N 3.39Å
278L57.8Low49.8Very low140 Ų140110.8 Ų110.873%0.73358%0.579SS**THydrogen-bonded Turntrans-105.5-25.5-175.7-99.9149.6000113.2G274 W275 K276G274-L278 WeakPolarHBondContact O-CD1 3.48Å; G274-L278 PolarHBondContact O-N 3.02Å; W275-L278 CarbonylContact O-C 3.57Å; W275-L278 WeakPolarHBondContact O-CA 3.32Å; W275-L278 WeakPolarHBondContact O-CB 3.21Å; W275-L278 PolarHBondContact O-N 3.23Å; K276-L278 VanDerWaalsContact C-N 3.27Å
279L54.5Low51Low98 Ų98110.9 Ų110.951%0.51358%0.581SS.*SBendtrans-130.5102.9-177.7-73.8161000108.6W275W275-L279 HydrophobicContact CD2-CD1 4.17Å; W275-L279 HydrophobicContact CG-CD1 4.43Å; W275-L279 HydrophobicContact CZ2-CD1 3.51Å; W275-L279 PolarHBondContact O-N 2.77Å
280H43.7Very low52.6Low176 Ų176106.7 Ų106.782%0.81556%0.562SS**  trans-47.8138.6170.4-88.379.4000111.5
281D40.9Very low54.1Low162 Ų162100.2 Ų100.287%0.86654%0.543SS*.  trans36.4101.5161.6-68.4-28.1000118.9
282G37.3Very low55.7Low67 Ų6799.1 Ų99.169%0.69154%0.535SS*.  trans-158.176.2169.100000110.5S284G282-S284 PolarHBondContact O-N 3.05Å; G282-S284 VanDerWaalsContact O-N 3.09Å
283D34.6Very low57.4Low174 Ų17497.8 Ų97.893%0.9353%0.528SS*.THydrogen-bonded Turntrans-63.297.7176.2-152.513.9000110.2
284S37.4Very low59.3Low111 Ų11191.7 Ų91.778%0.77650%0.501SS*.THydrogen-bonded Turntrans166.421.7153.272.50000116.3G282 S286G282-S284 PolarHBondContact O-N 3.05Å; G282-S284 VanDerWaalsContact O-N 3.09Å; S284-S286 PolarHBondContact O-N 2.84Å
285I37.8Very low61.1Low125 Ų12596.4 Ų96.464%0.64151%0.514SS*.  trans-88.374.1161.8-50.7176.8000106.7V287I285-V287 HydrophobicContact CG2-CG2 4.02Å; I285-V287 PolarHBondContact O-N 2.87Å
286S39Very low63Low83 Ų8390.6 Ų90.658%0.5849%0.492SS*.  trans-69.690.2174.286.60000107.2S284 H288S284-S286 PolarHBondContact O-N 2.84Å; S286-H288 VanDerWaalsContact C-N 3.26Å; S286-H288 PolarHBondContact O-N 2.85Å
287V50Low65.2Low41 Ų4184.7 Ų84.725%0.24847%0.467CS..  trans-66.6100.5168.6-172.60000106.3M162 Y265 E272 I285 H289M162-V287 HydrophobicContact CE-CG1 3.63Å; Y265-V287 HydrophobicContact CD2-CG1 3.74Å; Y265-V287 HydrophobicContact CE2-CB 3.77Å; Y265-V287 HydrophobicContact CE2-CG1 3.01Å; Y265-V287 HydrophobicContact CE2-CG2 4.5Å; Y265-V287 WeakPolarHBondContact OH-CB 3.44Å; E272-V287 HydrophobicContact CG-CG2 4.23Å; E272-V287 WeakPolarHBondContact OE1-CG2 3.12Å; E272-V287 WeakPolarHBondContact OE2-CG2 3.34Å; I285-V287 HydrophobicContact CG2-CG2 4.02Å; I285-V287 PolarHBondContact O-N 2.87Å; V287-H289 PolarHBondContact O-N 3.2Å; V287-H289 VanDerWaalsContact O-N 3.15Å
288H59.4Low67.2Low67 Ų6782.1 Ų82.131%0.3144%0.444SS..  trans-51.7124.2-172.3-72.5-68.3000109.4S286 F292S286-H288 VanDerWaalsContact C-N 3.26Å; S286-H288 PolarHBondContact O-N 2.85Å; H288-F292 HydrophobicContact CB-CD1 3.73Å; H288-F292 HydrophobicContact CB-CE1 4.44Å; H288-F292 AromaticContact CE1-CD1 3.88Å; H288-F292 AromaticContact CE1-CE1 3.33Å; H288-F292 WeakPolarHBondContact CE1-CE1 3.43Å; H288-F292 AromaticContact CE1-CZ 3.99Å; H288-F292 AromaticContact CG-CD1 3.53Å; H288-F292 AromaticContact CG-CE1 3.76Å; H288-F292 AromaticContact ND1-CD1 3.09Å; H288-F292 WeakPolarHBondContact ND1-CD1 3.41Å; H288-F292 AromaticContact ND1-CE1 3.04Å; H288-F292 WeakPolarHBondContact ND1-CE1 3.22Å; H288-F292 AromaticContact ND1-CG 3.97Å; H288-F292 AromaticContact ND1-CZ 3.9Å
289H81.9Confident69Low85 Ų8581.2 Ų81.239%0.39443%0.434SS..  trans-53.4142.7176.5-172.4-93.9000109.9V287 N291 F292 Y293V287-H289 PolarHBondContact O-N 3.2Å; V287-H289 VanDerWaalsContact O-N 3.15Å; H289-N291 PolarHBondContact CE1-ND2 3.41Å; H289-N291 VanDerWaalsContact CE1-ND2 3.26Å; H289-N291 PolarHBondContact CE1-OD1 3.49Å; H289-N291 WeakPolarHBondContact ND1-CB 3.46Å; H289-N291 VanDerWaalsContact ND1-CG 3.26Å; H289-N291 PolarHBondContact ND1-N 3.11Å; H289-N291 PolarHBondContact ND1-ND2 3.06Å; H289-N291 PolarHBondContact O-N 3.35Å; H289-F292 WeakPolarHBondContact O-CA 3.29Å; H289-F292 WeakPolarHBondContact O-CB 3.35Å; H289-F292 PolarHBondContact O-N 3.44Å; H289-Y293 PolarHBondContact O-N 2.9Å
290P86.6Confident71Confident1 Ų177.7 Ų77.71%0.00641%0.414CS..Hα-helixtrans-50.6-32.6-178.8-30.334.1000114.1K160 M162 Y265 Y293 A294K160-P290 HydrophobicContact CB-CG 4.14Å; K160-P290 HydrophobicContact CD-CB 4.47Å; K160-P290 HydrophobicContact CD-CG 3.97Å; M162-P290 HydrophobicContact CG-CB 4.12Å; M162-P290 HydrophobicContact CG-CG 3.91Å; M162-P290 HydrophobicContact SD-CB 4.3Å; M162-P290 HydrophobicContact SD-CG 3.69Å; Y265-P290 HydrophobicContact CD1-CG 4.11Å; P290-Y293 PolarHBondContact O-N 3.2Å; P290-A294 WeakPolarHBondContact O-CB 3.34Å; P290-A294 PolarHBondContact O-N 2.99Å
291N88.9Confident73.5Confident65 Ų6569.3 Ų69.335%0.34838%0.376SS..Hα-helixtrans-62.8-45.7173.8-58.7-4.2000112.5K157 H289 Q295K157-N291 HydrophobicContact CD-CB 4.22Å; K157-N291 WeakPolarHBondContact CD-OD1 3.44Å; K157-N291 WeakPolarHBondContact CG-OD1 3.5Å; H289-N291 PolarHBondContact CE1-ND2 3.41Å; H289-N291 VanDerWaalsContact CE1-ND2 3.26Å; H289-N291 PolarHBondContact CE1-OD1 3.49Å; H289-N291 WeakPolarHBondContact ND1-CB 3.46Å; H289-N291 VanDerWaalsContact ND1-CG 3.26Å; H289-N291 PolarHBondContact ND1-N 3.11Å; H289-N291 PolarHBondContact ND1-ND2 3.06Å; H289-N291 PolarHBondContact O-N 3.35Å; N291-Q295 WeakPolarHBondContact O-CG 3.37Å; N291-Q295 PolarHBondContact O-N 2.85Å
292F91.2Very high76.1Confident98 Ų9866.6 Ų66.643%0.4335%0.353SS..Hα-helixtrans-66.4-41.6178.6-179.2-86000110.8H288 H289 Q295 R296H288-F292 HydrophobicContact CB-CD1 3.73Å; H288-F292 HydrophobicContact CB-CE1 4.44Å; H288-F292 AromaticContact CE1-CD1 3.88Å; H288-F292 AromaticContact CE1-CE1 3.33Å; H288-F292 WeakPolarHBondContact CE1-CE1 3.43Å; H288-F292 AromaticContact CE1-CZ 3.99Å; H288-F292 AromaticContact CG-CD1 3.53Å; H288-F292 AromaticContact CG-CE1 3.76Å; H288-F292 AromaticContact ND1-CD1 3.09Å; H288-F292 WeakPolarHBondContact ND1-CD1 3.41Å; H288-F292 AromaticContact ND1-CE1 3.04Å; H288-F292 WeakPolarHBondContact ND1-CE1 3.22Å; H288-F292 AromaticContact ND1-CG 3.97Å; H288-F292 AromaticContact ND1-CZ 3.9Å; H289-F292 WeakPolarHBondContact O-CA 3.29Å; H289-F292 WeakPolarHBondContact O-CB 3.35Å; H289-F292 PolarHBondContact O-N 3.44Å; F292-Q295 PolarHBondContact O-N 3.24Å; F292-R296 HydrophobicContact CE1-CB 4.44Å; F292-R296 VanDerWaalsContact O-CB 3.28Å; F292-R296 WeakPolarHBondContact O-CB 3.02Å; F292-R296 PolarHBondContact O-N 2.84Å
293Y93.3Very high78.7Confident3 Ų369.2 Ų69.21%0.01235%0.348CS..Hα-helixtrans-57.5-51.6176.2-170.6-78.6000111.1M162 D163 Y164 H289 P290 R296 F297M162-Y293 HydrophobicContact CB-CD2 4.24Å; M162-Y293 HydrophobicContact CB-CG 4.32Å; D163-Y293 VanDerWaalsContact CA-CZ 3.49Å; D163-Y293 VanDerWaalsContact CA-OH 3.27Å; D163-Y293 WeakPolarHBondContact CA-OH 3.46Å; D163-Y293 VanDerWaalsContact N-CE2 3.28Å; D163-Y293 VanDerWaalsContact N-CZ 3.28Å; Y164-Y293 HydrophobicContact CD1-CD1 4.19Å; Y164-Y293 AromaticContact CD1-CE1 3.79Å; Y164-Y293 HydrophobicContact CD1-CE1 3.79Å; Y164-Y293 AromaticContact CD2-CE1 3.92Å; Y164-Y293 HydrophobicContact CD2-CE1 3.92Å; Y164-Y293 AromaticContact CE1-CD1 3.54Å; Y164-Y293 HydrophobicContact CE1-CD1 3.54Å; Y164-Y293 AromaticContact CE1-CE1 3.57Å; Y164-Y293 HydrophobicContact CE1-CE1 3.57Å; Y164-Y293 HydrophobicContact CE2-CD1 4.14Å; Y164-Y293 AromaticContact CE2-CE1 3.7Å; Y164-Y293 HydrophobicContact CE2-CE1 3.7Å; Y164-Y293 AromaticContact CG-CE1 3.98Å; Y164-Y293 HydrophobicContact CG-CE1 3.98Å; Y164-Y293 AromaticContact CZ-CD1 3.53Å; Y164-Y293 AromaticContact CZ-CE1 3.53Å; Y164-Y293 PolarHBondContact N-OH 3.31Å; Y164-Y293 PolarHBondContact O-OH 2.92Å; H289-Y293 PolarHBondContact O-N 2.9Å; P290-Y293 PolarHBondContact O-N 3.2Å; Y293-R296 PolarHBondContact O-N 3.45Å; Y293-F297 HydrophobicContact CE1-CB 4.43Å; Y293-F297 VanDerWaalsContact O-CB 3.3Å; Y293-F297 WeakPolarHBondContact O-CB 3.45Å; Y293-F297 PolarHBondContact O-N 3.19Å
294A94.6Very high81.4Confident2 Ų263.8 Ų63.82%0.01732%0.321CS..Hα-helixtrans-59.3-48.2179.300000112.4C153 Y164 P290 R296 F297 E298C153-A294 HydrophobicContact CB-CB 4.19Å; Y164-A294 WeakPolarHBondContact OH-CA 3.3Å; P290-A294 WeakPolarHBondContact O-CB 3.34Å; P290-A294 PolarHBondContact O-N 2.99Å; A294-R296 PolarHBondContact O-N 2.79Å; A294-F297 PolarHBondContact O-N 2.9Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 WeakPolarHBondContact O-CG 3.44Å; A294-E298 PolarHBondContact O-N 2.81Å
295Q95.3Very high84.1Confident131 Ų13158.7 Ų58.761%0.61229%0.285SS*.Hα-helixtrans-60.1-45.4178.4-75.2173.4-1300112.4N291 F292 K299N291-Q295 WeakPolarHBondContact O-CG 3.37Å; N291-Q295 PolarHBondContact O-N 2.85Å; F292-Q295 PolarHBondContact O-N 3.24Å; Q295-K299 WeakPolarHBondContact O-CB 3.43Å; Q295-K299 PolarHBondContact O-N 2.81Å
296R95.3Very high86.8Confident54 Ų5452.8 Ų52.820%0.20426%0.255CS..Hα-helixtrans-62-45177.8-177-170.468.7-164.2-1111.4G104 F292 Y293 A294 F300G104-R296 WeakPolarHBondContact O-CD 3.39Å; G104-R296 WeakPolarHBondContact O-CG 3.48Å; G104-R296 PolarHBondContact O-NE 3.23Å; F292-R296 HydrophobicContact CE1-CB 4.44Å; F292-R296 VanDerWaalsContact O-CB 3.28Å; F292-R296 WeakPolarHBondContact O-CB 3.02Å; F292-R296 PolarHBondContact O-N 2.84Å; Y293-R296 PolarHBondContact O-N 3.45Å; A294-R296 PolarHBondContact O-N 2.79Å; R296-F300 WeakPolarHBondContact O-CB 3.42Å; R296-F300 PolarHBondContact O-N 2.93Å
297F96.6Very high89.4Confident0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-60.3-51.7177.7177.8-95000111.6I149 Y164 L166 I258 Y293 A294 K299 F300 L301I149-F297 HydrophobicContact CG2-CE1 4.12Å; Y164-F297 HydrophobicContact CD2-CD2 4.32Å; Y164-F297 HydrophobicContact CD2-CE1 4.42Å; Y164-F297 HydrophobicContact CD2-CE2 4.08Å; Y164-F297 HydrophobicContact CD2-CZ 4.1Å; Y164-F297 HydrophobicContact CE2-CB 4.47Å; Y164-F297 AromaticContact CE2-CD1 3.82Å; Y164-F297 HydrophobicContact CE2-CD1 3.82Å; Y164-F297 HydrophobicContact CE2-CD2 4.03Å; Y164-F297 AromaticContact CE2-CE1 3.9Å; Y164-F297 HydrophobicContact CE2-CE1 3.9Å; Y164-F297 HydrophobicContact CE2-CE2 4.12Å; Y164-F297 AromaticContact CE2-CG 3.86Å; Y164-F297 HydrophobicContact CE2-CG 3.86Å; Y164-F297 HydrophobicContact CE2-CZ 4.03Å; L166-F297 HydrophobicContact CB-CE2 4.08Å; L166-F297 HydrophobicContact CB-CZ 3.79Å; I258-F297 HydrophobicContact CD1-CE1 4.43Å; I258-F297 HydrophobicContact CG1-CZ 4.42Å; Y293-F297 HydrophobicContact CE1-CB 4.43Å; Y293-F297 VanDerWaalsContact O-CB 3.3Å; Y293-F297 WeakPolarHBondContact O-CB 3.45Å; Y293-F297 PolarHBondContact O-N 3.19Å; A294-F297 PolarHBondContact O-N 2.9Å; F297-K299 PolarHBondContact O-N 2.61Å; F297-F300 PolarHBondContact O-N 3.3Å; F297-L301 HydrophobicContact CD1-CD1 3.91Å; F297-L301 HydrophobicContact CE1-CD1 3.41Å; F297-L301 VanDerWaalsContact CE1-CD1 3.41Å; F297-L301 HydrophobicContact CE2-CD1 4.28Å; F297-L301 HydrophobicContact CZ-CD1 3.65Å; F297-L301 WeakPolarHBondContact O-CG 3.21Å; F297-L301 PolarHBondContact O-N 3.4Å; F297-L301 VanDerWaalsContact O-N 3.09Å
298E96.3Very high91.6Very high41 Ų4155.4 Ų55.419%0.19226%0.255CS..Hα-helixtrans-61-44.1178.4-70.9-177.4-114.500112.2I149 S150 C153 A294 L301 R302I149-E298 HydrophobicContact CG2-CG 4.16Å; S150-E298 VanDerWaalsContact CA-OE2 3.29Å; S150-E298 WeakPolarHBondContact CA-OE2 3.43Å; S150-E298 VanDerWaalsContact CB-OE2 3.23Å; S150-E298 WeakPolarHBondContact CB-OE2 3.43Å; S150-E298 PolarHBondContact OG-OE2 3.37Å; C153-E298 HydrophobicContact CB-CG 4.04Å; C153-E298 VanDerWaalsContact CB-OE1 3.29Å; C153-E298 WeakPolarHBondContact CB-OE1 3.3Å; A294-E298 WeakPolarHBondContact O-CB 3.47Å; A294-E298 WeakPolarHBondContact O-CG 3.44Å; A294-E298 PolarHBondContact O-N 2.81Å; E298-L301 PolarHBondContact O-N 3.01Å; E298-R302 WeakPolarHBondContact O-CB 3.2Å; E298-R302 PolarHBondContact O-N 3.03Å
299K95.7Very high93.1Very high122 Ų12254.3 Ų54.353%0.5325%0.253SS..Hα-helixtrans-60.3-47.2178.4-174.7177.9179.5179.10111.3Q295 F297 L301 R302 E303Q295-K299 WeakPolarHBondContact O-CB 3.43Å; Q295-K299 PolarHBondContact O-N 2.81Å; F297-K299 PolarHBondContact O-N 2.61Å; K299-L301 PolarHBondContact O-N 3.29Å; K299-R302 PolarHBondContact O-N 3.11Å; K299-E303 VanDerWaalsContact CE-OE1 3.22Å; K299-E303 WeakPolarHBondContact CE-OE1 3.33Å; K299-E303 WeakPolarHBondContact CE-OE2 3.34Å; K299-E303 VanDerWaalsContact CG-CD 3.5Å; K299-E303 HydrophobicContact CG-CG 4.24Å; K299-E303 WeakPolarHBondContact CG-OE1 3.26Å; K299-E303 IonicContact NZ-OE2 2.85Å; K299-E303 WeakPolarHBondContact O-CB 3.27Å; K299-E303 PolarHBondContact O-N 3.29Å
300F95.7Very high93Very high23 Ų2353.5 Ų53.510%0.10125%0.254CS..Hα-helixtrans-59.7-45.3177.6176.5-96.7000111.9L102 G104 D125 L128 R296 F297 R302 V304 A305L102-F300 HydrophobicContact CB-CE1 4.07Å; L102-F300 HydrophobicContact CD1-CE1 4.29Å; L102-F300 HydrophobicContact CD2-CE1 4.05Å; L102-F300 HydrophobicContact CD2-CZ 4.36Å; L102-F300 HydrophobicContact CG-CE1 4.36Å; G104-F300 VanDerWaalsContact CA-CB 3.42Å; G104-F300 VanDerWaalsContact CA-CG 3.41Å; D125-F300 HydrophobicContact CB-CE2 4.17Å; D125-F300 HydrophobicContact CB-CZ 3.8Å; L128-F300 HydrophobicContact CD2-CE1 4.36Å; L128-F300 HydrophobicContact CD2-CZ 4.24Å; R296-F300 WeakPolarHBondContact O-CB 3.42Å; R296-F300 PolarHBondContact O-N 2.93Å; F297-F300 PolarHBondContact O-N 3.3Å; F300-R302 VanDerWaalsContact C-N 3.32Å; F300-R302 PolarHBondContact O-N 3.33Å; F300-V304 HydrophobicContact CD2-CB 3.83Å; F300-V304 HydrophobicContact CD2-CG1 4.13Å; F300-V304 HydrophobicContact CD2-CG2 3.9Å; F300-V304 HydrophobicContact CE2-CB 3.86Å; F300-V304 HydrophobicContact CE2-CG1 3.63Å; F300-V304 HydrophobicContact CE2-CG2 4.24Å; F300-V304 HydrophobicContact CG-CB 4.38Å; F300-V304 HydrophobicContact CZ-CB 4.41Å; F300-V304 HydrophobicContact CZ-CG1 4.08Å; F300-V304 WeakPolarHBondContact O-CA 3.35Å; F300-V304 VanDerWaalsContact O-CB 3.23Å; F300-V304 WeakPolarHBondContact O-CB 3.31Å; F300-V304 PolarHBondContact O-N 3.41Å; F300-A305 HydrophobicContact CE1-CB 4.26Å; F300-A305 PolarHBondContact O-N 3.47Å
301L96.1Very high91.7Very high0 Ų059.3 Ų59.30%028%0.283CS..Iπ-helixtrans-64.6-38.6179.4-65.7178.5000112.5L102 M146 I149 L166 F297 E298 K299 A305 F306L102-L301 HydrophobicContact CB-CD2 4.5Å; L102-L301 HydrophobicContact CD1-CD2 4.19Å; M146-L301 HydrophobicContact CE-CB 4.49Å; I149-L301 HydrophobicContact CD1-CD1 3.8Å; I149-L301 HydrophobicContact CG2-CD1 4.03Å; L166-L301 HydrophobicContact CB-CD1 4.37Å; L166-L301 HydrophobicContact CB-CD2 4.28Å; L166-L301 HydrophobicContact CD2-CD1 3.91Å; L166-L301 HydrophobicContact CD2-CD2 3.55Å; L166-L301 HydrophobicContact CD2-CG 4.38Å; F297-L301 HydrophobicContact CD1-CD1 3.91Å; F297-L301 HydrophobicContact CE1-CD1 3.41Å; F297-L301 VanDerWaalsContact CE1-CD1 3.41Å; F297-L301 HydrophobicContact CE2-CD1 4.28Å; F297-L301 HydrophobicContact CZ-CD1 3.65Å; F297-L301 WeakPolarHBondContact O-CG 3.21Å; F297-L301 PolarHBondContact O-N 3.4Å; F297-L301 VanDerWaalsContact O-N 3.09Å; E298-L301 PolarHBondContact O-N 3.01Å; K299-L301 PolarHBondContact O-N 3.29Å; L301-A305 HydrophobicContact CD2-CB 3.9Å; L301-F306 HydrophobicContact CB-CD2 4.43Å; L301-F306 HydrophobicContact CD2-CE2 4.25Å; L301-F306 WeakPolarHBondContact O-CD2 3.37Å; L301-F306 PolarHBondContact O-N 2.57Å
302R94.5Very high90.1Very high105 Ų10567.5 Ų67.540%0.39631%0.308SS..Iπ-helixtrans-74.6-39-178.5-178.9-177.5-66.2-812.9114F142 M146 E298 K299 F300F142-R302 HydrophobicContact CE1-CG 4.5Å; F142-R302 HydrophobicContact CZ-CG 4Å; M146-R302 HydrophobicContact SD-CB 3.85Å; M146-R302 HydrophobicContact SD-CG 4.37Å; E298-R302 WeakPolarHBondContact O-CB 3.2Å; E298-R302 PolarHBondContact O-N 3.03Å; K299-R302 PolarHBondContact O-N 3.11Å; F300-R302 VanDerWaalsContact C-N 3.32Å; F300-R302 PolarHBondContact O-N 3.33Å
303E91.9Very high88Confident123 Ų12368.3 Ų68.358%0.57532%0.322SS*.Iπ-helixtrans-102.3-22.4-170.6-64.9179.8-171.400113.1K299K299-E303 VanDerWaalsContact CE-OE1 3.22Å; K299-E303 WeakPolarHBondContact CE-OE1 3.33Å; K299-E303 WeakPolarHBondContact CE-OE2 3.34Å; K299-E303 VanDerWaalsContact CG-CD 3.5Å; K299-E303 HydrophobicContact CG-CG 4.24Å; K299-E303 WeakPolarHBondContact CG-OE1 3.26Å; K299-E303 IonicContact NZ-OE2 2.85Å; K299-E303 WeakPolarHBondContact O-CB 3.27Å; K299-E303 PolarHBondContact O-N 3.29Å
304V91.9Very high85.7Confident60 Ų6070.5 Ų70.536%0.36434%0.337SS..Iπ-helixtrans-118.1-55.8-174.3-176.10000111.4L129 F300L129-V304 HydrophobicContact CD2-CG1 3.32Å; L129-V304 HydrophobicContact CG-CG1 4.35Å; F300-V304 HydrophobicContact CD2-CB 3.83Å; F300-V304 HydrophobicContact CD2-CG1 4.13Å; F300-V304 HydrophobicContact CD2-CG2 3.9Å; F300-V304 HydrophobicContact CE2-CB 3.86Å; F300-V304 HydrophobicContact CE2-CG1 3.63Å; F300-V304 HydrophobicContact CE2-CG2 4.24Å; F300-V304 HydrophobicContact CG-CB 4.38Å; F300-V304 HydrophobicContact CZ-CB 4.41Å; F300-V304 HydrophobicContact CZ-CG1 4.08Å; F300-V304 WeakPolarHBondContact O-CA 3.35Å; F300-V304 VanDerWaalsContact O-CB 3.23Å; F300-V304 WeakPolarHBondContact O-CB 3.31Å; F300-V304 PolarHBondContact O-N 3.41Å
305A94Very high83.5Confident3 Ų373.8 Ų73.83%0.02537%0.365CS..Iπ-helixtrans-73-39.7-169.400000113.3L102 L128 F300 L301L102-A305 HydrophobicContact CD1-CB 4.2Å; L128-A305 HydrophobicContact CD2-CB 3.75Å; F300-A305 HydrophobicContact CE1-CB 4.26Å; F300-A305 PolarHBondContact O-N 3.47Å; L301-A305 HydrophobicContact CD2-CB 3.9Å
306F95Very high81.3Confident1 Ų172.4 Ų72.40%0.00436%0.357CS..  trans-124.7135.3-177-55-60000110.9I135 I137 F142 L145 M146 L166 L168 L254 L256 L301I135-F306 HydrophobicContact CB-CD1 4.15Å; I135-F306 HydrophobicContact CD1-CD1 4.39Å; I135-F306 HydrophobicContact CD1-CE1 4.2Å; I135-F306 HydrophobicContact CG2-CD1 3.83Å; I135-F306 HydrophobicContact CG2-CE1 4.22Å; I137-F306 HydrophobicContact CD1-CB 4.01Å; I137-F306 HydrophobicContact CD1-CD1 3.57Å; I137-F306 HydrophobicContact CD1-CE1 4.23Å; I137-F306 HydrophobicContact CD1-CG 3.87Å; I137-F306 HydrophobicContact CG1-CD1 4.46Å; F142-F306 HydrophobicContact CD2-CB 4.08Å; F142-F306 HydrophobicContact CE2-CB 3.78Å; F142-F306 WeakPolarHBondContact CE2-O 3.35Å; L145-F306 HydrophobicContact CD2-CD2 4.16Å; L145-F306 HydrophobicContact CD2-CE2 4.12Å; L145-F306 HydrophobicContact CD2-CZ 4.47Å; M146-F306 HydrophobicContact CE-CD2 3.82Å; M146-F306 HydrophobicContact CE-CE2 4.4Å; L166-F306 HydrophobicContact CD2-CE2 3.97Å; L166-F306 HydrophobicContact CD2-CZ 4.04Å; L168-F306 HydrophobicContact CD1-CE1 4.39Å; L168-F306 HydrophobicContact CD1-CZ 4.4Å; L168-F306 HydrophobicContact CD2-CE1 4.14Å; L168-F306 HydrophobicContact CD2-CZ 4.29Å; L254-F306 HydrophobicContact CD1-CE1 4.16Å; L256-F306 HydrophobicContact CD2-CZ 4.01Å; L301-F306 HydrophobicContact CB-CD2 4.43Å; L301-F306 HydrophobicContact CD2-CE2 4.25Å; L301-F306 WeakPolarHBondContact O-CD2 3.37Å; L301-F306 PolarHBondContact O-N 2.57Å
307T94.3Very high79Confident67 Ų6771.8 Ų71.841%0.41136%0.36SS..EExtended strand (participates in β ladder)trans-108.7124.1177.4-60.20000110.2I135 L136 I137 V309I135-T307 PolarHBondContact O-N 3.47Å; L136-T307 HydrophobicContact CD2-CG2 3.8Å; I137-T307 PolarHBondContact N-O 3.38Å; T307-V309 HydrophobicContact CG2-CG2 4.48Å
308R94.4Very high76.6Confident113 Ų11381.3 Ų81.343%0.42640%0.396SS..EExtended strand (participates in β ladder)trans-77.3120.3177.5-172.1-179.9-177.8-84.72.3111A139 F142 D143A139-R308 HydrophobicContact CB-CG 4.25Å; F142-R308 HydrophobicContact CB-CB 4.36Å; F142-R308 HydrophobicContact CB-CG 4.07Å; F142-R308 HydrophobicContact CD1-CB 3.66Å; F142-R308 HydrophobicContact CD1-CG 3.62Å; F142-R308 HydrophobicContact CD2-CB 3.93Å; F142-R308 HydrophobicContact CE1-CB 3.81Å; F142-R308 HydrophobicContact CE1-CG 4.15Å; F142-R308 HydrophobicContact CE2-CB 4.07Å; F142-R308 HydrophobicContact CG-CB 3.71Å; F142-R308 HydrophobicContact CG-CG 3.82Å; F142-R308 HydrophobicContact CZ-CB 4Å; D143-R308 IonicContact OD1-CZ 3.82Å; D143-R308 IonicContact OD1-NE 2.9Å; D143-R308 PolarHBondContact OD1-NE 3.44Å; D143-R308 IonicContact OD1-NH2 3.85Å; D143-R308 IonicContact OD2-CZ 3.53Å; D143-R308 IonicContact OD2-NE 3.31Å; D143-R308 PolarHBondContact OD2-NE 2.85Å; D143-R308 IonicContact OD2-NH2 2.85Å; D143-R308 PolarHBondContact OD2-NH2 3.04Å
309V90.9Very high74.2Confident44 Ų4489.7 Ų89.727%0.26743%0.426SS..EExtended strand (participates in β ladder)trans-113.3131.6178-1780000111.3L136 I137 A139 T307L136-V309 HydrophobicContact CB-CG2 3.83Å; L136-V309 HydrophobicContact CD1-CG2 4.39Å; L136-V309 HydrophobicContact CD2-CG2 3.99Å; L136-V309 HydrophobicContact CG-CG2 4.28Å; I137-V309 PolarHBondContact O-N 3.05Å; A139-V309 PolarHBondContact N-O 2.69Å; T307-V309 HydrophobicContact CG2-CG2 4.48Å
310T81.6Confident71.7Confident67 Ų6789.4 Ų89.441%0.41143%0.425SS..  trans-93.4128.1171.9-52.10000108.9R312 T313T310-R312 PolarHBondContact O-N 3.11Å; T310-T313 PolarHBondContact O-N 3.2Å; T310-T313 PolarHBondContact O-OG1 3.06Å
311M57.9Low69.3Low124 Ų12492.3 Ų92.361%0.61144%0.438SS*.THydrogen-bonded Turntrans-54.6-3.1-176.4-74.5-82.2-176.200116.3D138 F321D138-M311 HydrophobicContact CB-CE 4.06Å; M311-F321 HydrophobicContact CE-CZ 4.22Å; M311-F321 HydrophobicContact SD-CE2 4.34Å; M311-F321 HydrophobicContact SD-CZ 4.39Å
312R55.3Low66.7Low236 Ų23696.3 Ų96.389%0.89147%0.466SS*.THydrogen-bonded Turntrans-100.6-8.3-174-74.3-172.6159126.5-1.5115.5T310T310-R312 PolarHBondContact O-N 3.11Å
313T47.6Very low64.3Low115 Ų11599.1 Ų99.171%0.70648%0.483SS*.SBendtrans-117.426.2-162.946.60000117.6T310T310-T313 PolarHBondContact O-N 3.2Å; T310-T313 PolarHBondContact O-OG1 3.06Å
314S44.3Very low62.1Low49 Ų49101 Ų10134%0.34349%0.485SS..  trans-146.7130.516168.10000112.4F316 C317S314-F316 PolarHBondContact O-N 2.96Å; S314-F316 VanDerWaalsContact O-N 3.1Å; S314-C317 PolarHBondContact O-N 2.86Å; S314-C317 VanDerWaalsContact O-N 3.12Å; S314-C317 PolarHBondContact OG-N 2.93Å; S314-C317 PolarHBondContact OG-SG 3.08Å
315A49.6Very low59.4Low72 Ų72107.4 Ų107.460%0.59551%0.508SS*.Hα-helixtrans-55.7-21.2167.100000111.9R318A315-R318 PolarHBondContact O-N 2.82Å
316F49.4Very low56.5Low102 Ų102113.2 Ų113.245%0.44754%0.543SS..Hα-helixtrans-54.4-53.2170.1-167-106000112L248 S314 R318 R319 F320L248-F316 WeakPolarHBondContact O-CZ 3.08Å; S314-F316 PolarHBondContact O-N 2.96Å; S314-F316 VanDerWaalsContact O-N 3.1Å; F316-R318 VanDerWaalsContact C-N 3.35Å; F316-R318 PolarHBondContact O-N 2.84Å; F316-R319 PolarHBondContact O-N 2.96Å; F316-F320 HydrophobicContact CD1-CD2 4.41Å; F316-F320 HydrophobicContact CD1-CE2 4.15Å; F316-F320 HydrophobicContact CD2-CE2 4.37Å; F316-F320 HydrophobicContact CE1-CD2 4.36Å; F316-F320 AromaticContact CE1-CE2 3.77Å; F316-F320 HydrophobicContact CE1-CE2 3.77Å; F316-F320 HydrophobicContact CE1-CZ 4.48Å; F316-F320 HydrophobicContact CE2-CE2 4.01Å; F316-F320 HydrophobicContact CG-CE2 4.43Å; F316-F320 AromaticContact CZ-CE2 3.69Å; F316-F320 HydrophobicContact CZ-CE2 3.69Å; F316-F320 HydrophobicContact CZ-CZ 4.19Å; F316-F320 VanDerWaalsContact O-CD2 3.28Å; F316-F320 WeakPolarHBondContact O-CD2 3.44Å
317C46.6Very low53.5Low40 Ų40119.3 Ų119.327%0.2758%0.58SS.*Hα-helixtrans-69.5-23.2-177.7-67.90000115S314 R319 F320 F321S314-C317 PolarHBondContact O-N 2.86Å; S314-C317 VanDerWaalsContact O-N 3.12Å; S314-C317 PolarHBondContact OG-N 2.93Å; S314-C317 PolarHBondContact OG-SG 3.08Å; C317-R319 VanDerWaalsContact C-N 3.26Å; C317-R319 PolarHBondContact O-N 2.83Å; C317-F320 PolarHBondContact O-N 3.5Å; C317-F321 PolarHBondContact O-N 3.01Å
318R44.7Very low50.5Low200 Ų200127.8 Ų127.876%0.75560%0.604SS**Hα-helixtrans-65.3-28.8-179.9-82.2-171.5-77.2-148.9-3.8113.2A315 F316A315-R318 PolarHBondContact O-N 2.82Å; F316-R318 VanDerWaalsContact C-N 3.35Å; F316-R318 PolarHBondContact O-N 2.84Å
319R47.4Very low47.5Very low218 Ų218129.3 Ų129.382%0.82362%0.621SS**Hα-helixtrans-77.7-33.5176.9-158.1168170.6149.7-4.1111.6F316 C317F316-R319 PolarHBondContact O-N 2.96Å; C317-R319 VanDerWaalsContact C-N 3.26Å; C317-R319 PolarHBondContact O-N 2.83Å
320F42.4Very low44.5Very low115 Ų115132 Ų13250%0.50465%0.647SS.*Hα-helixtrans-75.2-26.5-176.7-80.4-81000115.3F316 C317F316-F320 HydrophobicContact CD1-CD2 4.41Å; F316-F320 HydrophobicContact CD1-CE2 4.15Å; F316-F320 HydrophobicContact CD2-CE2 4.37Å; F316-F320 HydrophobicContact CE1-CD2 4.36Å; F316-F320 AromaticContact CE1-CE2 3.77Å; F316-F320 HydrophobicContact CE1-CE2 3.77Å; F316-F320 HydrophobicContact CE1-CZ 4.48Å; F316-F320 HydrophobicContact CE2-CE2 4.01Å; F316-F320 HydrophobicContact CG-CE2 4.43Å; F316-F320 AromaticContact CZ-CE2 3.69Å; F316-F320 HydrophobicContact CZ-CE2 3.69Å; F316-F320 HydrophobicContact CZ-CZ 4.19Å; F316-F320 VanDerWaalsContact O-CD2 3.28Å; F316-F320 WeakPolarHBondContact O-CD2 3.44Å; C317-F320 PolarHBondContact O-N 3.5Å
321F45.4Very low42.3Very low84 Ų84135.8 Ų135.837%0.36866%0.663SS.*THydrogen-bonded Turntrans-93.1-5.1176.6-76.1-89.1000113.9M311 C317 E323 R324M311-F321 HydrophobicContact CE-CZ 4.22Å; M311-F321 HydrophobicContact SD-CE2 4.34Å; M311-F321 HydrophobicContact SD-CZ 4.39Å; C317-F321 PolarHBondContact O-N 3.01Å; F321-E323 VanDerWaalsContact C-N 3.28Å; F321-E323 PolarHBondContact O-N 3.49Å; F321-R324 VanDerWaalsContact CE1-CZ 3.48Å; F321-R324 PolarHBondContact O-N 2.93Å
322S41.2Very low41.4Very low85 Ų85135.5 Ų135.559%0.59467%0.674SS**G310 helixtrans-71.3-22.5176.2-167.10000112.8R324S322-R324 VanDerWaalsContact C-N 3.32Å
323E44.9Very low40.5Very low163 Ų163131.7 Ų131.776%0.76267%0.671SS**G310 helixtrans-80.4-10.7178-68-166.2164.600113.7F321 K325 V326F321-E323 VanDerWaalsContact C-N 3.28Å; F321-E323 PolarHBondContact O-N 3.49Å; E323-K325 PolarHBondContact O-N 2.97Å; E323-V326 PolarHBondContact O-N 3.43Å
324R44.3Very low39.9Very low162 Ų162132.1 Ų132.161%0.61168%0.675SS**G310 helixtrans-73.37.4174.5-69.1-167.3-179.6-174.7-3114.6F321 S322F321-R324 VanDerWaalsContact CE1-CZ 3.48Å; F321-R324 PolarHBondContact O-N 2.93Å; S322-R324 VanDerWaalsContact C-N 3.32Å
325K36.2Very low39.7Very low196 Ų196136.8 Ų136.885%0.85270%0.701SS**G310 helixtrans-1145.9177-91.3-172.8176.7-179.90115.3E323E323-K325 PolarHBondContact O-N 2.97Å
326V33.5Very low39.1Very low124 Ų124140.2 Ų140.275%0.75271%0.71SS**  trans-121.960-176.8-164.90000111.7E323E323-V326 PolarHBondContact O-N 3.43Å
327V30.6Very low38.6Very low129 Ų129141 Ų14178%0.78273%0.728SS**  trans-141.274.9154.9-172.10000107.5L329V327-L329 HydrophobicContact CG1-CD1 4.38Å
328R32.2Very low38.1Very low245 Ų245147.8 Ų147.893%0.92575%0.753SS**  trans-109.799.7153.8-95.4-175176.1165.7-1.3105.7A330R328-A330 PolarHBondContact O-N 2.94Å; R328-A330 VanDerWaalsContact O-N 3.17Å
329L31.9Very low37.7Very low146 Ų146150.5 Ų150.576%0.76476%0.763SS**  trans-51.8120.5167.4-115.780.7000108.2V327 I331V327-L329 HydrophobicContact CG1-CD1 4.38Å; L329-I331 PolarHBondContact O-N 3.43Å
330A28.2Very low37Very low99 Ų99151.3 Ų151.382%0.81877%0.766SS**  trans-74.3111.4173.800000109.2R328R328-A330 PolarHBondContact O-N 2.94Å; R328-A330 VanDerWaalsContact O-N 3.17Å
331I33.6Very low36.8Very low148 Ų148151 Ų15176%0.75978%0.778SS**  trans-142.290.4161.7-54.4178.6000107.5L329L329-I331 PolarHBondContact O-N 3.43Å
332S39Very low36.6Very low118 Ų118155 Ų15583%0.82580%0.798SS**  trans179127.8146.457.20000111.1
333N37.9Very low36.4Very low156 Ų156159.5 Ų159.583%0.83481%0.807SS**  trans-55.3155.1-172.2-72.9-27.4000116.6
334P34.6Very low35.9Very low123 Ų123160.8 Ų160.880%0.79981%0.81SS**  trans-88.4130.9176.634.7-28.6000111.1
335V40.7Very low35.7Very low147 Ų147158.6 Ų158.689%0.89182%0.82SS**  trans-126.1127.4156.9-179.80000109.2
336N35.6Very low36Very low145 Ų145155.1 Ų155.178%0.77582%0.82SS**  trans-77.6133.9-169.6-153.70.1000110.6
337S40.3Very low36.5Very low118 Ų118154.5 Ų154.583%0.82582%0.819SS**  trans-171.2120.4142.1-174.40000111.8
338K35.4Very low36.6Very low183 Ų183157.9 Ų157.980%0.79682%0.819SS**  trans-72138.7174.1-64.1167.1175.8171.70110.4
339R36.7Very low37Very low256 Ų256149.9 Ų149.997%0.96680%0.8SS**  -168.9156.9129.3-108.9170176.1-176.9-1.2112.9
340R32Very low37.7Very low235 Ų235149.4 Ų149.489%0.88779%0.794SS**  trans-133.6129.1-147.6170.6-167-175.3-168.52.8107.6
341S38.4Very low38.4Very low108 Ų108150.7 Ų150.776%0.75579%0.787SS**  trans163.7110154.844.80000109.7
342Q40.3Very low38.7Very low170 Ų170149.5 Ų149.579%0.79479%0.787SS**  83135.380.3-93.8-163.6-6.300115.7
343K37.1Very low38.8Very low179 Ų179154.6 Ų154.678%0.77879%0.788SS**  trans78.8145.7160.1-69.7171.7-177.2178.60115.6
344K35.5Very low38.7Very low189 Ų189152.3 Ų152.382%0.82279%0.785SS**  cis163135.2-11.9-116.2-173.3177.1-1740102.4
345S38.8Very low38.8Very low116 Ų116156.8 Ų156.881%0.81179%0.786SS**  trans135.8103138.171.80000116.5
346S42.5Very low38.7Very low124 Ų124155.5 Ų155.587%0.86778%0.778SS**  39.2151123-1450000123.7
347P44Very low38.5Very low111 Ų111154.8 Ų154.872%0.72178%0.779SS**  trans-115.1170.6-158.742.4-29000115.5
348Y34Very low38.4Very low199 Ų199154.3 Ų154.378%0.7877%0.773SS**  trans-164.9129.5156.6-155.2-117000113.3
349S40.4Very low38.1Very low77 Ų77154.2 Ų154.254%0.53878%0.776SS.*  trans49.2155.5136-62.20000122.1
350Q46.3Very low38Very low137 Ų137149 Ų14964%0.6477%0.772SS**  cis-172.1158.517.1-125.9163.4-24.300109.6
351D42.5Very low37.9Very low125 Ų125142.7 Ų142.767%0.66876%0.764SS**  trans66.5136.5146.1-59.4-30000120.7
352T41Very low37.8Very low123 Ų123142.9 Ų142.976%0.75577%0.765SS**  -171.6132.751.180000113.2
353R40Very low37.4Very low226 Ų226144.3 Ų144.385%0.85377%0.768SS**  50.5120.6129.6-77.9180172.1175.8-1.9125.7
354S37.3Very low37.2Very low108 Ų108141.2 Ų141.276%0.75577%0.767SS**  78.7149.8120.280.60000119.5
355R36.6Very low37Very low217 Ų217140.3 Ų140.382%0.81977%0.771SS**  cis-171.5150.824.8-157.6-171.5175177.7-3.5111
356T37.5Very low36.7Very low120 Ų120142.8 Ų142.874%0.73677%0.774SS**  trans74.3125.714432.50000125.2
357T32.7Very low36.1Very low130 Ų130144.6 Ų144.680%0.79877%0.773SS**  trans-84.3-164.6164.652.50000112.3
358P37.3Very low35.4Very low107 Ų107144.6 Ų144.670%0.69577%0.773SS**  cis-135-178.6-22.323.42.2000115.7
359E28.6Very low35Very low182 Ų182143.4 Ų143.485%0.8578%0.78SS**  trans52121.9147.7-77.2-177.1166.600123.3
360V35.6Very low34.5Very low146 Ų146147.3 Ų147.389%0.88579%0.793SS**  trans-155.7134.5134.5174.60000110.6
361S29.5Very low33.7Very low103 Ų103145.7 Ų145.772%0.7280%0.797SS**  trans-84.2150171.768.30000113.5
362S36.2Very low32.9Very low111 Ų111149.1 Ų149.178%0.77681%0.809SS**  172.2124.3129.254.60000114.2
363K33Very low32.3Very low200 Ų200148 Ų14887%0.8781%0.806SS**  trans57.3146.1145.1-89.4178.9175.3174.10122.6
364P31.3Very low31.6Very low114 Ų114142.9 Ų142.974%0.7480%0.804SS**PPolyproline II helixtrans-92.7148.3-17637.6-31.4000112.7
365D31Very low31.3Very low171 Ų171144.8 Ų144.891%0.91481%0.811SS**PPolyproline II helixtrans-75.9133.3176.3-76.7-38.4000112.8
366L32.8Very low30.9Very low168 Ų168138.4 Ų138.488%0.8881%0.805SS**PPolyproline II helixtrans-75.9140.5177.6-72156.1000111.1
367L29.8Very low30.4Very low162 Ų162138.3 Ų138.385%0.84881%0.809SS**PPolyproline II helixtrans-74.4139167.8-66.4170.9000110.2
368P29.4Very low30.3Very low110 Ų110139.9 Ų139.971%0.71481%0.813SS**PPolyproline II helixtrans-76.9128.9171214.1000110.6I370P368-I370 PolarHBondContact O-N 2.83Å
369L25.2Very low29.9Very low175 Ų175139 Ų13992%0.91681%0.809SS**PPolyproline II helixtrans-62126.2154-91.792.7000108.1
370I31.7Very low29.9Very low159 Ų159136.7 Ų136.782%0.81581%0.808SS**  trans-111.9114.4162.6-62.1177.3000107.4P368P368-I370 PolarHBondContact O-N 2.83Å
371S29Very low29.6Very low103 Ų103138.3 Ų138.372%0.7281%0.806SS**  trans-64.2153.7172.842.60000112.9S373S371-S373 PolarHBondContact O-N 2.94Å
372E25.8Very low29.6Very low197 Ų197138 Ų13892%0.92180%0.8SS**  trans-53.9120.6174.4-60.9175.8152.600112.7
373S28.7Very low29.3Very low99 Ų99136.7 Ų136.769%0.69279%0.789SS**  trans-172.1116.6145.155.50000111S371S371-S373 PolarHBondContact O-N 2.94Å
374S25.4Very low29.1Very low118 Ų118133.1 Ų133.183%0.82578%0.779SS**  trans41.295.6145.961.40000118.3
375V30.3Very low29.2Very low148 Ų148131.2 Ų131.290%0.89777%0.765SS**  trans-125.5122.9150.9-178.20000108.7
376A29Very low29.3Very low83 Ų83129 Ų12969%0.68676%0.76SS**  trans-60.7151.9-174.800000113D378A376-D378 PolarHBondContact O-N 3.07Å
377S26.1Very low29.7Very low119 Ų119122.7 Ų122.783%0.83273%0.727SS**  trans-23.9113159.749.70000114.8
378D30Very low30Very low162 Ų162118.7 Ų118.787%0.86671%0.713SS**  trans-116.8115.2152.2-147.2-1000108.2A376A376-D378 PolarHBondContact O-N 3.07Å
379S30Very low30.5Very low88 Ų88115.3 Ų115.362%0.61569%0.688SS**  trans-68.4128.6-165.949.50000112.3Q381S379-Q381 VanDerWaalsContact C-N 3.35Å; S379-Q381 PolarHBondContact O-N 3.16Å
380T28.4Very low30.8Very low135 Ų135110.9 Ų110.983%0.82867%0.669SS**  trans-60.498153.539.20000108.5T382T380-T382 PolarHBondContact O-N 3.24Å; T380-T382 VanDerWaalsContact O-N 3.11Å
381Q29.2Very low30.9Very low180 Ų180107.6 Ų107.684%0.84165%0.652SS**  trans-60.1114.7172.4-87.4-176.4-4.200109.4S379S379-Q381 VanDerWaalsContact C-N 3.35Å; S379-Q381 PolarHBondContact O-N 3.16Å
382T28.6Very low31Very low97 Ų97109 Ų10960%0.59565%0.652SS**  trans-82.9112.3171.6-57.80000107.8T380T380-T382 PolarHBondContact O-N 3.24Å; T380-T382 VanDerWaalsContact O-N 3.11Å
383C29.6Very low31.4Very low82 Ų82103.7 Ų103.755%0.55464%0.636SS**  trans-95.3113.8170.6-121.40000109.4
384L29.5Very low31.4Very low126 Ų126104 Ų10466%0.6664%0.638SS**  trans-84.5115.3169.9-67172.6000108.7I405L384-I405 HydrophobicContact CD2-CB 4.46Å
385V34.2Very low31.5Very low74 Ų74104.7 Ų104.745%0.44863%0.633SS.*  trans-123.4108.8174.5-168.10000109L387 I405V385-L387 PolarHBondContact O-N 3.3Å; V385-L387 VanDerWaalsContact O-N 3.11Å; V385-I405 WeakPolarHBondContact O-CD1 3.29Å
386P31.7Very low31.5Very low123 Ų123106.6 Ų106.680%0.79963%0.629SS**  trans-57.4121.8-177.223.4-31.6000110.4
387L41.6Very low31.7Very low36 Ų36110.8 Ų110.819%0.18863%0.628CS.*  trans-106.7118.3175.9-142.393.5000108.5L7 V385 L389L7-L387 HydrophobicContact CD1-CD2 4.46Å; V385-L387 PolarHBondContact O-N 3.3Å; V385-L387 VanDerWaalsContact O-N 3.11Å; L387-L389 HydrophobicContact CD2-CD2 3.81Å; L387-L389 HydrophobicContact CD2-CG 4.14Å
388S36.8Very low31.9Very low79 Ų79112 Ų11255%0.55263%0.625SS**  trans-97.3106.2169.7-170.30000108.3C8C8-S388 PolarHBondContact SG-O 3.11Å
389L39.1Very low32.1Very low38 Ų38113 Ų11320%0.19962%0.617CS.*  trans-85.6120.7170.9-65168.2000108.5L7 L12 L83 L387 L400L7-L389 HydrophobicContact CB-CD2 4.37Å; L12-L389 HydrophobicContact CD1-CD2 4.43Å; L83-L389 HydrophobicContact CD1-CD1 3.87Å; L387-L389 HydrophobicContact CD2-CD2 3.81Å; L387-L389 HydrophobicContact CD2-CG 4.14Å; L389-L400 HydrophobicContact CB-CD1 3.92Å; L389-L400 VanDerWaalsContact O-CD1 3.29Å; L389-L400 WeakPolarHBondContact O-CD1 2.74Å
390T31.6Very low32.6Very low82 Ų82111.9 Ų111.950%0.50360%0.604SS.*  trans-90.7110.5168.533.10000108.6
391L34.2Very low32.9Very low90 Ų90112.7 Ų112.747%0.47160%0.596SS.*  trans-93.1126.1170.1-69.2168.6000107.8L12 Y26 S393L12-L391 HydrophobicContact CB-CD2 4.43Å; L12-L391 HydrophobicContact CD1-CD2 3.94Å; Y26-L391 HydrophobicContact CE1-CD2 4.27Å; L391-S393 PolarHBondContact O-N 2.9Å
392D31.5Very low33.1Very low134 Ų134110.6 Ų110.672%0.71759%0.591SS**  trans-88.499.1170.4-169.717.6000108.7P11P11-D392 HydrophobicContact CB-CB 3.94Å; P11-D392 HydrophobicContact CG-CB 4.26Å
393S34.2Very low33.6Very low84 Ų84107.7 Ų107.759%0.58758%0.576SS**  trans-143.9125.8152.774.40000107.2L391 D395L391-S393 PolarHBondContact O-N 2.9Å; S393-D395 PolarHBondContact O-N 2.87Å
394S28.7Very low34.1Very low106 Ų106108 Ų10874%0.74158%0.579SS**SBendtrans-31.9127.9163.550.70000112
395D28Very low34.9Very low133 Ų133102.5 Ų102.571%0.71155%0.551SS**SBendtrans77.6110.6173.8-63.6-32.5000118.9S393S393-D395 PolarHBondContact O-N 2.87Å
396K29.3Very low35.5Very low187 Ų187101.6 Ų101.681%0.81354%0.543SS*.  trans69.662.4146.2-59.5177.2179.4173.20119.1
397Y34.2Very low36Very low171 Ų17199.7 Ų99.767%0.67152%0.524SS*.  trans-139.393.5154.2-80.7-78.4000113.1L77L77-Y397 HydrophobicContact CD1-CE1 4.09Å; L77-Y397 VanDerWaalsContact CD1-OH 3.23Å; L77-Y397 WeakPolarHBondContact CD1-OH 3.35Å; L77-Y397 HydrophobicContact CD2-CE1 4.34Å; L77-Y397 HydrophobicContact CG-CE1 4.04Å
398D30.4Very low36.6Very low144 Ų14499.2 Ų99.277%0.7752%0.522SS*.  trans-83.1134.6172.4-121-35.4000110.9
399R34.2Very low36.9Very low184 Ų18497.6 Ų97.669%0.69451%0.505SS*.  trans75.592.8155.9-57.7179-173.8-159.6-0.3119.6K401R399-K401 HydrophobicContact CB-CG 4.28Å; R399-K401 PolarHBondContact O-N 3.16Å
400L39.8Very low36.5Very low65 Ų65100.1 Ų100.134%0.3452%0.523SS..  trans-71.595.6149.4-80.8161.2000109.9Y74 L389Y74-L400 HydrophobicContact CD2-CD2 4.18Å; Y74-L400 HydrophobicContact CG-CD2 4.21Å; L389-L400 HydrophobicContact CB-CD1 3.92Å; L389-L400 VanDerWaalsContact O-CD1 3.29Å; L389-L400 WeakPolarHBondContact O-CD1 2.74Å
401K34Very low36.5Very low152 Ų152102.1 Ų102.166%0.66154%0.538SS*.  trans-115.1-7.4176.4-79.6-169.5176.8-168.40116.4R399R399-K401 HydrophobicContact CB-CG 4.28Å; R399-K401 PolarHBondContact O-N 3.16Å
402N34.7Very low36.4Very low136 Ų136104.4 Ų104.473%0.72754%0.544SS*.  trans-148.978.7-178.7-71.9-43.1000112.1
403A38.8Very low36.1Very low36 Ų36104.9 Ų104.930%0.29855%0.552SS.*EExtended strand (participates in β ladder)trans-98.8122.5171.600000110C73 I405C73-A403 WeakPolarHBondContact O-CA 3.42Å; A403-I405 HydrophobicContact CB-CG1 4.39Å
404S40.4Very low35.7Very low88 Ų88108.7 Ų108.762%0.61557%0.571SS**EExtended strand (participates in β ladder)trans-85.9130.3165.9-65.90000108.5C73C73-S404 PolarHBondContact N-O 2.57Å; C73-S404 VanDerWaalsContact N-O 3.16Å; C73-S404 PolarHBondContact O-N 3.41Å; C73-S404 VanDerWaalsContact O-N 3.07Å
405I46.1Very low36.1Very low11 Ų11108.8 Ų108.86%0.05656%0.563CS.*EExtended strand (participates in β ladder)trans-121.9123.3-168.5-59.3-178.9000109Y72 L384 V385 A403 M407Y72-I405 HydrophobicContact CD1-CB 4.4Å; Y72-I405 HydrophobicContact CD1-CD1 4.33Å; Y72-I405 HydrophobicContact CD1-CG1 3.94Å; Y72-I405 HydrophobicContact CD1-CG2 4Å; Y72-I405 HydrophobicContact CE1-CD1 4.36Å; Y72-I405 HydrophobicContact CE1-CG1 4.3Å; Y72-I405 HydrophobicContact CE1-CG2 3.72Å; L384-I405 HydrophobicContact CD2-CB 4.46Å; V385-I405 WeakPolarHBondContact O-CD1 3.29Å; A403-I405 HydrophobicContact CB-CG1 4.39Å; I405-M407 HydrophobicContact CG2-CG 3.75Å
406L45.5Very low36.5Very low54 Ų54107.5 Ų107.528%0.28356%0.555SS.*EExtended strand (participates in β ladder)trans-105.695.9163.1-170.671.2000107.5Q47 L50 L71 L408Q47-L406 HydrophobicContact CG-CD2 3.75Å; L50-L406 HydrophobicContact CD1-CD2 4.1Å; L71-L406 HydrophobicContact CD2-CD2 4.45Å; L71-L406 PolarHBondContact N-O 2.77Å; L71-L406 PolarHBondContact O-N 2.86Å; L71-L406 VanDerWaalsContact O-N 3.08Å; L406-L408 HydrophobicContact CD2-CD2 3.82Å; L406-L408 HydrophobicContact CG-CD2 4Å; L406-L408 PolarHBondContact O-N 3.35Å
407M42.8Very low36.9Very low83 Ų83103.1 Ų103.141%0.40954%0.541SS..EExtended strand (participates in β ladder)trans-69.2120.9168.2-73.7-90.8-79.300107.6I405 F409I405-M407 HydrophobicContact CG2-CG 3.75Å; M407-F409 VanDerWaalsContact C-N 3.3Å; M407-F409 PolarHBondContact O-N 3.43Å
408L54.3Low37.1Very low26 Ų2699.1 Ų99.114%0.13653%0.533CS..  trans-84.1-6.5-172.8-65.8179.4000113.5L46 L50 F68 L406L46-L408 HydrophobicContact CD2-CD1 4.26Å; L50-L408 HydrophobicContact CD1-CD2 3.29Å; L50-L408 HydrophobicContact CD2-CD1 3.98Å; L50-L408 HydrophobicContact CD2-CD2 3.49Å; L50-L408 VanDerWaalsContact CD2-CD2 3.49Å; L50-L408 HydrophobicContact CD2-CG 4.24Å; L50-L408 HydrophobicContact CG-CD2 3.99Å; F68-L408 HydrophobicContact CB-CD1 3.7Å; L406-L408 HydrophobicContact CD2-CD2 3.82Å; L406-L408 HydrophobicContact CG-CD2 4Å; L406-L408 PolarHBondContact O-N 3.35Å
409F43.3Very low37.5Very low46 Ų4696.3 Ų96.320%0.20252%0.518CS..SBendtrans-144.1145179.9-61.7-67.5000111.9Y53 L57 F68 M407 F412Y53-F409 AromaticContact CE1-CZ 3.87Å; Y53-F409 HydrophobicContact CE1-CZ 3.87Å; L57-F409 HydrophobicContact CD1-CE1 3.75Å; L57-F409 HydrophobicContact CD1-CZ 3.59Å; F68-F409 WeakPolarHBondContact O-CE2 3.23Å; M407-F409 VanDerWaalsContact C-N 3.3Å; M407-F409 PolarHBondContact O-N 3.43Å; F409-F412 HydrophobicContact CB-CD2 4.34Å; F409-F412 HydrophobicContact CB-CE2 4.09Å; F409-F412 AromaticContact CD1-CE2 3.8Å; F409-F412 HydrophobicContact CD1-CE2 3.8Å; F409-F412 HydrophobicContact CG-CE2 4.17Å
410P30.1Very low37.7Very low90 Ų9090.5 Ų90.558%0.58451%0.507SS*.  trans-61.4154.1156.429-31.7000109F412P410-F412 PolarHBondContact O-N 3.16Å
411P32Very low37.6Very low124 Ų12492.3 Ų92.381%0.80552%0.519SS*.  trans-62.6101.6176.927.6-32.2000108.2T413P411-T413 PolarHBondContact O-N 3.21Å
412F32.2Very low37.8Very low138 Ų13887.7 Ų87.761%0.60551%0.508SS*.  trans-62.1129.7165.4-71.9-78.2000107.6F409 P410F409-F412 HydrophobicContact CB-CD2 4.34Å; F409-F412 HydrophobicContact CB-CE2 4.09Å; F409-F412 AromaticContact CD1-CE2 3.8Å; F409-F412 HydrophobicContact CD1-CE2 3.8Å; F409-F412 HydrophobicContact CG-CE2 4.17Å; P410-F412 PolarHBondContact O-N 3.16Å
413T25.3Very low38.1Very low144 Ų14483.7 Ų83.788%0.88349%0.489SS*.  trans-53.8136179.2-30.70000109.9P411P411-T413 PolarHBondContact O-N 3.21Å
414V26.4Very low38Very low164 Ų16488 Ų8899%0.99451%0.507SS*.  trans-52.50179.8176.50000112.4

Retrieved 414 of 414 residues in 77.3 ms (Link to these results)

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