A0A2K5XI75_MANLE Loading...

Family with sequence similarity 91 member A1

AlphaFold DB , UniProt , Accession A0A2K5XI75, Species MANLE (Mandrillus leucophaeus, Drill), Gene FAM91A1, Length 838 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
1M56.1Low76.6Confident96 Ų9669.5 Ų69.547%0.47333%0.332SS..  0170.40-127.9170.6157.100107.6V5 E6 I9 Q36 Y40M1-V5 HydrophobicContact CE-CG1 4.49Å; M1-E6 HydrophobicContact CB-CG 3.89Å; M1-E6 WeakPolarHBondContact CB-OE1 3.36Å; M1-E6 HydrophobicContact CG-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 3.74Å; M1-I9 HydrophobicContact CE-CD1 3.99Å; M1-Q36 HydrophobicContact CE-CB 3.47Å; M1-Q36 VanDerWaalsContact CE-CB 3.47Å; M1-Q36 HydrophobicContact CE-CG 4.11Å; M1-Q36 WeakPolarHBondContact CE-O 3.18Å; M1-Y40 HydrophobicContact SD-CD2 4.14Å
2N71.4Confident77.1Confident70 Ų7068.1 Ų68.137%0.37433%0.328SS..  trans-82.8129.4168.9-178.9-13.9000108.9D4 V5 E6N2-D4 VanDerWaalsContact C-N 3.27Å; N2-D4 PolarHBondContact O-N 3.25Å; N2-D4 PolarHBondContact OD1-N 3.12Å; N2-V5 HydrophobicContact CB-CB 4.44Å; N2-V5 HydrophobicContact CB-CG2 3.99Å; N2-V5 WeakPolarHBondContact O-CB 3.31Å; N2-V5 PolarHBondContact O-N 2.74Å; N2-E6 PolarHBondContact O-N 2.78Å; N2-E6 VanDerWaalsContact O-N 3.12Å
3I74.4Confident77.6Confident137 Ų13769.8 Ų69.870%0.70333%0.33SS*.Hα-helixtrans-56.8-39-178.3-59.5172.9000111.3V5 E6 F7I3-V5 VanDerWaalsContact C-N 3.28Å; I3-V5 PolarHBondContact O-N 2.7Å; I3-E6 PolarHBondContact O-N 3.06Å; I3-F7 WeakPolarHBondContact O-CB 3.43Å; I3-F7 PolarHBondContact O-N 2.84Å
4D76.1Confident77.9Confident88 Ų8869 Ų6947%0.47133%0.334SS..Hα-helixtrans-60.6-39.4177-59.9-30000111.9N2 H8 V22N2-D4 VanDerWaalsContact C-N 3.27Å; N2-D4 PolarHBondContact O-N 3.25Å; N2-D4 PolarHBondContact OD1-N 3.12Å; D4-H8 PolarHBondContact O-CD2 2.86Å; D4-H8 PolarHBondContact O-N 2.7Å; D4-H8 VanDerWaalsContact O-N 3.1Å; D4-V22 HydrophobicContact CB-CG2 4.09Å
5V77.1Confident78.2Confident4 Ų466.7 Ų66.72%0.02432%0.32CS..Hα-helixtrans-69.1-44.3179.3178.90000109.7M1 N2 I3 H8 I9 V22 L26 Y33 Q36M1-V5 HydrophobicContact CE-CG1 4.49Å; N2-V5 HydrophobicContact CB-CB 4.44Å; N2-V5 HydrophobicContact CB-CG2 3.99Å; N2-V5 WeakPolarHBondContact O-CB 3.31Å; N2-V5 PolarHBondContact O-N 2.74Å; I3-V5 VanDerWaalsContact C-N 3.28Å; I3-V5 PolarHBondContact O-N 2.7Å; V5-H8 PolarHBondContact O-N 3.09Å; V5-I9 HydrophobicContact CG1-CD1 3.83Å; V5-I9 WeakPolarHBondContact O-CD1 3.38Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.38Å; V5-V22 HydrophobicContact CG2-CG1 3.94Å; V5-L26 HydrophobicContact CG1-CD1 4.23Å; V5-L26 HydrophobicContact CG1-CD2 4.47Å; V5-L26 HydrophobicContact CG2-CD1 4.09Å; V5-L26 HydrophobicContact CG2-CD2 4.22Å; V5-L26 HydrophobicContact CG2-CG 4.18Å; V5-Y33 HydrophobicContact CG1-CD2 4.33Å; V5-Y33 HydrophobicContact CG1-CE2 4.24Å; V5-Q36 HydrophobicContact CG1-CB 4.42Å
6E81.7Confident78.4Confident42 Ų4270.6 Ų70.620%0.19634%0.343CS..Hα-helixtrans-60.7-45.7175.3-66.4-163.4-170.400111.8M1 N2 I3 H8 I9 R10 Y40 R43M1-E6 HydrophobicContact CB-CG 3.89Å; M1-E6 WeakPolarHBondContact CB-OE1 3.36Å; M1-E6 HydrophobicContact CG-CG 4.28Å; M1-E6 HydrophobicContact SD-CG 3.74Å; N2-E6 PolarHBondContact O-N 2.78Å; N2-E6 VanDerWaalsContact O-N 3.12Å; I3-E6 PolarHBondContact O-N 3.06Å; E6-H8 VanDerWaalsContact C-N 3.35Å; E6-H8 PolarHBondContact O-N 3.36Å; E6-I9 PolarHBondContact O-N 3.22Å; E6-R10 PolarHBondContact O-N 3.07Å; E6-Y40 HydrophobicContact CB-CD2 4.04Å; E6-Y40 HydrophobicContact CB-CE2 3.55Å; E6-Y40 HydrophobicContact CG-CD2 3.66Å; E6-Y40 HydrophobicContact CG-CE2 3.61Å; E6-Y40 WeakPolarHBondContact OE2-CE2 3.49Å; E6-R43 IonicContact OE1-NH1 2.8Å
7F81.8Confident78.7Confident112 Ų11275.3 Ų75.349%0.49136%0.362SS..Hα-helixtrans-55.7-47176.2177.3-89.5000111.8I3 R10 H11I3-F7 WeakPolarHBondContact O-CB 3.43Å; I3-F7 PolarHBondContact O-N 2.84Å; F7-R10 PolarHBondContact O-N 3.37Å; F7-H11 AromaticContact CD1-ND1 3.93Å; F7-H11 AromaticContact CD2-CE1 3.72Å; F7-H11 AromaticContact CD2-ND1 3.92Å; F7-H11 AromaticContact CE1-CE1 3.96Å; F7-H11 AromaticContact CE1-ND1 3.75Å; F7-H11 AromaticContact CE2-CE1 3.26Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.16Å; F7-H11 AromaticContact CE2-ND1 3.77Å; F7-H11 AromaticContact CG-ND1 4Å; F7-H11 AromaticContact CZ-CE1 3.38Å; F7-H11 WeakPolarHBondContact CZ-CE1 3.34Å; F7-H11 AromaticContact CZ-ND1 3.67Å; F7-H11 PolarHBondContact O-N 3.42Å; F7-H11 VanDerWaalsContact O-N 3.17Å; F7-H11 PolarHBondContact O-ND1 3.08Å
8H81.4Confident79Confident28 Ų2871.4 Ų71.413%0.1334%0.343CS..Hα-helixtrans-71.6-29.4-180-71.9-57.3000113.8D4 V5 E6 N12 Y13 L18 P19D4-H8 PolarHBondContact O-CD2 2.86Å; D4-H8 PolarHBondContact O-N 2.7Å; D4-H8 VanDerWaalsContact O-N 3.1Å; V5-H8 PolarHBondContact O-N 3.09Å; E6-H8 VanDerWaalsContact C-N 3.35Å; E6-H8 PolarHBondContact O-N 3.36Å; H8-N12 PolarHBondContact O-N 2.95Å; H8-Y13 HydrophobicContact CB-CD2 4.09Å; H8-Y13 AromaticContact ND1-CD2 3.36Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.37Å; H8-Y13 AromaticContact ND1-CE2 3.72Å; H8-Y13 PolarHBondContact O-N 2.9Å; H8-Y13 VanDerWaalsContact O-N 3.09Å; H8-L18 HydrophobicContact CB-CD2 3.58Å; H8-P19 WeakPolarHBondContact NE2-CD 3.28Å
9I81Confident79.3Confident3 Ų370.6 Ų70.62%0.01534%0.344CS..Hα-helixtrans-69.2-44.8172.8-63.8163.4000110.4M1 V5 E6 H11 N12 Y33 Q36 V37 Y40M1-I9 HydrophobicContact CE-CD1 3.99Å; V5-I9 HydrophobicContact CG1-CD1 3.83Å; V5-I9 WeakPolarHBondContact O-CD1 3.38Å; V5-I9 WeakPolarHBondContact O-CG1 3.43Å; V5-I9 PolarHBondContact O-N 3.38Å; E6-I9 PolarHBondContact O-N 3.22Å; I9-H11 VanDerWaalsContact C-N 3.3Å; I9-H11 PolarHBondContact O-N 2.96Å; I9-N12 WeakPolarHBondContact O-CA 3.37Å; I9-N12 PolarHBondContact O-N 2.83Å; I9-Y33 HydrophobicContact CD1-CE2 4.13Å; I9-Y33 HydrophobicContact CG1-CE2 3.64Å; I9-Y33 WeakPolarHBondContact CG1-OH 3.33Å; I9-Q36 HydrophobicContact CD1-CB 4.44Å; I9-V37 HydrophobicContact CD1-CG2 4.21Å; I9-V37 HydrophobicContact CG1-CG2 3.9Å; I9-V37 HydrophobicContact CG2-CG2 4.33Å; I9-Y40 HydrophobicContact CB-CD1 4.06Å; I9-Y40 HydrophobicContact CB-CE1 4.34Å; I9-Y40 HydrophobicContact CB-CG 4.44Å; I9-Y40 HydrophobicContact CD1-CG 4.35Å; I9-Y40 HydrophobicContact CG2-CD1 3.38Å; I9-Y40 HydrophobicContact CG2-CE1 3.92Å; I9-Y40 HydrophobicContact CG2-CG 4.02Å
10R80.1Confident79.4Confident92 Ų9270.3 Ų70.335%0.34735%0.353SS..Hα-helixtrans-58.3-40.2177.2-173.9171.9171.3-154.9-8.3112.2E6 F7 N12 D278E6-R10 PolarHBondContact O-N 3.07Å; F7-R10 PolarHBondContact O-N 3.37Å; R10-N12 PolarHBondContact O-N 2.9Å; R10-N12 PolarHBondContact O-ND2 3.25Å; R10-D278 IonicContact CZ-OD2 3.14Å; R10-D278 VanDerWaalsContact CZ-OD2 3.23Å; R10-D278 IonicContact NE-OD2 2.77Å; R10-D278 PolarHBondContact NE-OD2 2.85Å; R10-D278 VanDerWaalsContact NH2-CG 3.31Å; R10-D278 IonicContact NH2-OD1 3.94Å; R10-D278 IonicContact NH2-OD2 3.99Å; R10-D278 PolarHBondContact NH2-OD2 3.49Å
11H81.8Confident79.5Confident92 Ų9273 Ų7343%0.42637%0.369SS..THydrogen-bonded Turntrans-78.26.3174.5-69.287.7000114.5F7 I9 Y13F7-H11 AromaticContact CD1-ND1 3.93Å; F7-H11 AromaticContact CD2-CE1 3.72Å; F7-H11 AromaticContact CD2-ND1 3.92Å; F7-H11 AromaticContact CE1-CE1 3.96Å; F7-H11 AromaticContact CE1-ND1 3.75Å; F7-H11 AromaticContact CE2-CE1 3.26Å; F7-H11 WeakPolarHBondContact CE2-CE1 3.16Å; F7-H11 AromaticContact CE2-ND1 3.77Å; F7-H11 AromaticContact CG-ND1 4Å; F7-H11 AromaticContact CZ-CE1 3.38Å; F7-H11 WeakPolarHBondContact CZ-CE1 3.34Å; F7-H11 AromaticContact CZ-ND1 3.67Å; F7-H11 PolarHBondContact O-N 3.42Å; F7-H11 VanDerWaalsContact O-N 3.17Å; F7-H11 PolarHBondContact O-ND1 3.08Å; I9-H11 VanDerWaalsContact C-N 3.3Å; I9-H11 PolarHBondContact O-N 2.96Å; H11-Y13 VanDerWaalsContact C-N 3.27Å; H11-Y13 HydrophobicContact CB-CD2 3.62Å; H11-Y13 HydrophobicContact CB-CE2 3.32Å; H11-Y13 HydrophobicContact CB-CG 4.49Å; H11-Y13 PolarHBondContact O-N 3.07Å
12N82.8Confident80.6Confident53 Ų5368.6 Ų68.628%0.28335%0.348SS..THydrogen-bonded Turntrans54.435.6178-77.1-75.5000114.6H8 I9 R10 P14 N51 L52H8-N12 PolarHBondContact O-N 2.95Å; I9-N12 WeakPolarHBondContact O-CA 3.37Å; I9-N12 PolarHBondContact O-N 2.83Å; R10-N12 PolarHBondContact O-N 2.9Å; R10-N12 PolarHBondContact O-ND2 3.25Å; N12-P14 WeakPolarHBondContact O-CD 3.29Å; N12-N51 PolarHBondContact ND2-OD1 2.88Å; N12-N51 WeakPolarHBondContact OD1-CA 3.48Å; N12-N51 PolarHBondContact OD1-OD1 3.05Å; N12-L52 HydrophobicContact CB-CG 4.22Å; N12-L52 WeakPolarHBondContact OD1-CG 3.43Å; N12-L52 PolarHBondContact OD1-N 2.9Å
13Y83.1Confident81Confident90 Ų9068.4 Ų68.435%0.35334%0.342SS..  trans-76119.7175.1-66.6-59.9000111.3H8 H11 K17 Y33H8-Y13 HydrophobicContact CB-CD2 4.09Å; H8-Y13 AromaticContact ND1-CD2 3.36Å; H8-Y13 WeakPolarHBondContact ND1-CD2 3.37Å; H8-Y13 AromaticContact ND1-CE2 3.72Å; H8-Y13 PolarHBondContact O-N 2.9Å; H8-Y13 VanDerWaalsContact O-N 3.09Å; H11-Y13 VanDerWaalsContact C-N 3.27Å; H11-Y13 HydrophobicContact CB-CD2 3.62Å; H11-Y13 HydrophobicContact CB-CE2 3.32Å; H11-Y13 HydrophobicContact CB-CG 4.49Å; H11-Y13 PolarHBondContact O-N 3.07Å; Y13-K17 HydrophobicContact CD1-CB 4.35Å; Y13-K17 HydrophobicContact CD1-CD 4.34Å; Y13-Y33 PolarHBondContact O-OH 2.81Å
14P81.9Confident81.2Confident59 Ų5968.6 Ų68.638%0.38334%0.34SS..  trans-67.8158.7173.230.3-36000110.8N12 N16 K17 L52N12-P14 WeakPolarHBondContact O-CD 3.29Å; P14-N16 PolarHBondContact O-N 3.32Å; P14-K17 HydrophobicContact CG-CB 4.46Å; P14-K17 HydrophobicContact CG-CD 4.34Å; P14-K17 HydrophobicContact CG-CG 4.17Å; P14-K17 PolarHBondContact O-N 3.06Å; P14-L52 HydrophobicContact CB-CD2 4.39Å
15W82.7Confident81.5Confident34 Ų3467.7 Ų67.713%0.12934%0.34CS..G310 helixtrans-42.1-42.1178.8177.3-107.3000114K17 L18 R23 L26 N28 Q30 Y33W15-K17 PolarHBondContact O-N 3.27Å; W15-L18 HydrophobicContact CD2-CD1 4.35Å; W15-L18 HydrophobicContact CE3-CD1 3.49Å; W15-L18 VanDerWaalsContact CE3-CD1 3.49Å; W15-L18 HydrophobicContact CZ3-CD1 3.94Å; W15-L18 PolarHBondContact O-N 3.44Å; W15-R23 HydrophobicContact CE3-CG 4.49Å; W15-R23 HydrophobicContact CH2-CB 3.83Å; W15-R23 HydrophobicContact CH2-CG 3.76Å; W15-R23 HydrophobicContact CZ2-CB 4.2Å; W15-R23 HydrophobicContact CZ2-CG 3.95Å; W15-R23 HydrophobicContact CZ3-CB 4.42Å; W15-R23 HydrophobicContact CZ3-CG 4.05Å; W15-R23 PolarHBondContact O-NE 2.82Å; W15-R23 VanDerWaalsContact O-NE 3.17Å; W15-R23 PolarHBondContact O-NH2 3.19Å; W15-L26 HydrophobicContact CZ3-CB 4.4Å; W15-L26 HydrophobicContact CZ3-CD1 4.2Å; W15-N28 WeakPolarHBondContact CZ2-O 3.24Å; W15-Q30 HydrophobicContact CB-CG 4.14Å; W15-Q30 HydrophobicContact CD2-CB 3.95Å; W15-Q30 HydrophobicContact CD2-CG 4.18Å; W15-Q30 HydrophobicContact CG-CB 4.03Å; W15-Q30 HydrophobicContact CG-CG 3.81Å; W15-Q30 HydrophobicContact CZ2-CB 4.43Å; W15-Y33 HydrophobicContact CB-CD1 4.21Å; W15-Y33 VanDerWaalsContact CE3-CB 3.46Å; W15-Y33 HydrophobicContact CE3-CD1 4.01Å; W15-Y33 AromaticContact CE3-CG 3.8Å; W15-Y33 HydrophobicContact CE3-CG 3.8Å; W15-Y33 HydrophobicContact CZ3-CG 4.3Å
16N81.1Confident81.6Confident130 Ų13068.5 Ų68.570%0.69534%0.344SS*.G310 helixtrans-65.3-16.3-179.4-63.81000114.6P14 R23P14-N16 PolarHBondContact O-N 3.32Å; N16-R23 PolarHBondContact O-NH2 3.27Å
17K83.2Confident81.4Confident150 Ų15069.5 Ų69.565%0.65237%0.366SS*.G310 helixtrans-104-4.6175.7-67.4-169179.9-177.60114.5Y13 P14 W15Y13-K17 HydrophobicContact CD1-CB 4.35Å; Y13-K17 HydrophobicContact CD1-CD 4.34Å; P14-K17 HydrophobicContact CG-CB 4.46Å; P14-K17 HydrophobicContact CG-CD 4.34Å; P14-K17 HydrophobicContact CG-CG 4.17Å; P14-K17 PolarHBondContact O-N 3.06Å; W15-K17 PolarHBondContact O-N 3.27Å
18L83.8Confident81.4Confident5 Ų569.3 Ų69.33%0.02637%0.37CS..SBendtrans-66.8143178.3-63.7178.3000112.6H8 W15 V22 R23 Y33H8-L18 HydrophobicContact CB-CD2 3.58Å; W15-L18 HydrophobicContact CD2-CD1 4.35Å; W15-L18 HydrophobicContact CE3-CD1 3.49Å; W15-L18 VanDerWaalsContact CE3-CD1 3.49Å; W15-L18 HydrophobicContact CZ3-CD1 3.94Å; W15-L18 PolarHBondContact O-N 3.44Å; L18-V22 HydrophobicContact CD2-CG1 4.48Å; L18-R23 HydrophobicContact CB-CG 4.02Å; L18-R23 PolarHBondContact O-NE 2.8Å; L18-R23 PolarHBondContact O-NH2 3.32Å; L18-Y33 HydrophobicContact CD1-CD1 4.05Å; L18-Y33 HydrophobicContact CD1-CD2 3.8Å; L18-Y33 HydrophobicContact CD1-CE1 4.03Å; L18-Y33 HydrophobicContact CD1-CE2 3.78Å; L18-Y33 HydrophobicContact CD1-CG 3.93Å; L18-Y33 HydrophobicContact CD2-CE2 4.2Å
19P85.9Confident81.6Confident56 Ų5670.2 Ų70.236%0.36438%0.379SS..  trans-59.4153.3170.1-23.634.4000113.1H8 N21 V22 R23H8-P19 WeakPolarHBondContact NE2-CD 3.28Å; P19-N21 VanDerWaalsContact C-N 3.32Å; P19-N21 PolarHBondContact O-N 3.29Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 PolarHBondContact O-N 3.25Å; P19-V22 VanDerWaalsContact O-N 3.16Å; P19-R23 PolarHBondContact O-N 2.82Å
20A79.8Confident81.7Confident64 Ų6474.4 Ų74.453%0.52940%0.399SS..Hα-helixtrans-56.5-44.517900000112.4V22 R23 Q24A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 3.07Å; A20-R23 PolarHBondContact O-N 3.09Å; A20-R23 VanDerWaalsContact O-N 3.15Å; A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 PolarHBondContact O-N 3.42Å
21N81.6Confident82Confident127 Ų12779.4 Ų79.468%0.67942%0.418SS*.Hα-helixtrans-57.4-39.8179.3-51.213.5000112P19 Q24 S25P19-N21 VanDerWaalsContact C-N 3.32Å; P19-N21 PolarHBondContact O-N 3.29Å; N21-Q24 PolarHBondContact O-N 3.19Å; N21-S25 PolarHBondContact O-N 2.8Å; N21-S25 PolarHBondContact O-OG 3.21Å
22V79.3Confident82.1Confident5 Ų577.6 Ų77.63%0.0341%0.409CS..Hα-helixtrans-76.6-32.7-179.5-179.40000111.7D4 V5 L18 P19 A20 S25 L26D4-V22 HydrophobicContact CB-CG2 4.09Å; V5-V22 HydrophobicContact CG2-CG1 3.94Å; L18-V22 HydrophobicContact CD2-CG1 4.48Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 PolarHBondContact O-N 3.25Å; P19-V22 VanDerWaalsContact O-N 3.16Å; A20-V22 VanDerWaalsContact C-N 3.27Å; A20-V22 PolarHBondContact O-N 3.07Å; V22-S25 PolarHBondContact O-OG 2.81Å; V22-S25 VanDerWaalsContact O-OG 3.12Å; V22-L26 HydrophobicContact CG1-CD1 4.5Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.45Å
23R79.7Confident82.1Confident66 Ų6675.3 Ų75.325%0.24940%0.397CS..Hα-helixtrans-66.9-41168.7-65-175.2-177.5134.16111.2W15 N16 L18 P19 A20 L26 G27 N28W15-R23 HydrophobicContact CE3-CG 4.49Å; W15-R23 HydrophobicContact CH2-CB 3.83Å; W15-R23 HydrophobicContact CH2-CG 3.76Å; W15-R23 HydrophobicContact CZ2-CB 4.2Å; W15-R23 HydrophobicContact CZ2-CG 3.95Å; W15-R23 HydrophobicContact CZ3-CB 4.42Å; W15-R23 HydrophobicContact CZ3-CG 4.05Å; W15-R23 PolarHBondContact O-NE 2.82Å; W15-R23 VanDerWaalsContact O-NE 3.17Å; W15-R23 PolarHBondContact O-NH2 3.19Å; N16-R23 PolarHBondContact O-NH2 3.27Å; L18-R23 HydrophobicContact CB-CG 4.02Å; L18-R23 PolarHBondContact O-NE 2.8Å; L18-R23 PolarHBondContact O-NH2 3.32Å; P19-R23 PolarHBondContact O-N 2.82Å; A20-R23 PolarHBondContact O-N 3.09Å; A20-R23 VanDerWaalsContact O-N 3.15Å; R23-L26 CarbonylContact O-C 3.46Å; R23-L26 WeakPolarHBondContact O-CA 3.49Å; R23-L26 PolarHBondContact O-N 3.18Å; R23-L26 VanDerWaalsContact O-N 3.14Å; R23-G27 PolarHBondContact O-N 3.22Å; R23-N28 WeakPolarHBondContact CB-OD1 3.48Å; R23-N28 VanDerWaalsContact O-CA 3.31Å; R23-N28 WeakPolarHBondContact O-CA 3.33Å; R23-N28 PolarHBondContact O-N 3.13Å
24Q80.6Confident82.3Confident141 Ų14173.9 Ų73.966%0.65939%0.393SS*.Hα-helixtrans-64.5-41.9-180-174.6174.4-5.700112.1A20 N21 L26 G27A20-Q24 WeakPolarHBondContact O-CB 3.41Å; A20-Q24 PolarHBondContact O-N 3.42Å; N21-Q24 PolarHBondContact O-N 3.19Å; Q24-L26 PolarHBondContact O-N 3.48Å; Q24-G27 PolarHBondContact O-N 3.08Å
25S80.3Confident82.5Confident69 Ų6976.6 Ų76.648%0.48340%0.399SS..Hα-helixtrans-66.8-20.3174.465.90000113.6N21 V22N21-S25 PolarHBondContact O-N 2.8Å; N21-S25 PolarHBondContact O-OG 3.21Å; V22-S25 PolarHBondContact O-OG 2.81Å; V22-S25 VanDerWaalsContact O-OG 3.12Å
26L79.2Confident82.6Confident21 Ų2176.8 Ų76.811%0.1140%0.402CS..THydrogen-bonded Turntrans-95.619.5170.6-64.3171.2000113.1V5 W15 V22 R23 Q24 N28 S29 Y33 Q36V5-L26 HydrophobicContact CG1-CD1 4.23Å; V5-L26 HydrophobicContact CG1-CD2 4.47Å; V5-L26 HydrophobicContact CG2-CD1 4.09Å; V5-L26 HydrophobicContact CG2-CD2 4.22Å; V5-L26 HydrophobicContact CG2-CG 4.18Å; W15-L26 HydrophobicContact CZ3-CB 4.4Å; W15-L26 HydrophobicContact CZ3-CD1 4.2Å; V22-L26 HydrophobicContact CG1-CD1 4.5Å; V22-L26 WeakPolarHBondContact O-CG 3.41Å; V22-L26 PolarHBondContact O-N 3.45Å; R23-L26 CarbonylContact O-C 3.46Å; R23-L26 WeakPolarHBondContact O-CA 3.49Å; R23-L26 PolarHBondContact O-N 3.18Å; R23-L26 VanDerWaalsContact O-N 3.14Å; Q24-L26 PolarHBondContact O-N 3.48Å; L26-N28 PolarHBondContact O-N 2.75Å; L26-N28 VanDerWaalsContact O-N 3.16Å; L26-S29 PolarHBondContact O-N 3.38Å; L26-Y33 HydrophobicContact CD1-CD2 3.59Å; L26-Y33 HydrophobicContact CD1-CG 4.22Å; L26-Q36 HydrophobicContact CD2-CG 4.07Å
27G79.6Confident82.9Confident63 Ų6370.7 Ų70.765%0.64937%0.369SS*.THydrogen-bonded Turntrans62.223.2177.900000114.4R23 Q24 S29R23-G27 PolarHBondContact O-N 3.22Å; Q24-G27 PolarHBondContact O-N 3.08Å; G27-S29 PolarHBondContact O-N 2.87Å; G27-S29 VanDerWaalsContact O-N 3.14Å
28N81.3Confident83Confident107 Ų10764.3 Ų64.357%0.57234%0.342SS*.THydrogen-bonded Turntrans54.721.1-169.9-65.1-55.6000114.6W15 R23 L26W15-N28 WeakPolarHBondContact CZ2-O 3.24Å; R23-N28 WeakPolarHBondContact CB-OD1 3.48Å; R23-N28 VanDerWaalsContact O-CA 3.31Å; R23-N28 WeakPolarHBondContact O-CA 3.33Å; R23-N28 PolarHBondContact O-N 3.13Å; L26-N28 PolarHBondContact O-N 2.75Å; L26-N28 VanDerWaalsContact O-N 3.16Å
29S84.1Confident83.2Confident47 Ų4768.3 Ų68.333%0.32936%0.364SS..  trans-95.8107.4-177.3-178.10000112.1L26 G27 R31 E32 Y33L26-S29 PolarHBondContact O-N 3.38Å; G27-S29 PolarHBondContact O-N 2.87Å; G27-S29 VanDerWaalsContact O-N 3.14Å; S29-R31 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact OG-N 3.31Å; S29-Y33 PolarHBondContact O-N 3.33Å
30Q85.1Confident83.2Confident91 Ų9166.3 Ų66.343%0.42535%0.349SS..Hα-helixtrans-54.3-39.7171.6-179.3-179.7-32.400111.7W15 E32 Y33 E34W15-Q30 HydrophobicContact CB-CG 4.14Å; W15-Q30 HydrophobicContact CD2-CB 3.95Å; W15-Q30 HydrophobicContact CD2-CG 4.18Å; W15-Q30 HydrophobicContact CG-CB 4.03Å; W15-Q30 HydrophobicContact CG-CG 3.81Å; W15-Q30 HydrophobicContact CZ2-CB 4.43Å; Q30-E32 PolarHBondContact O-N 3Å; Q30-Y33 PolarHBondContact O-N 3.48Å; Q30-E34 HydrophobicContact CG-CG 4.39Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.48Å; Q30-E34 PolarHBondContact NE2-OE1 2.95Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 2.99Å
31R84.8Confident83.6Confident197 Ų19763.3 Ų63.374%0.74332%0.324SS*.Hα-helixtrans-62.7-30.2177.7-72.4-176.6178.3173.50.2113S29 K35S29-R31 PolarHBondContact O-N 3.36Å; R31-K35 WeakPolarHBondContact O-CG 3.44Å; R31-K35 PolarHBondContact O-N 3Å
32E84.3Confident83.9Confident54 Ų5457.6 Ų57.625%0.25229%0.293SS..Hα-helixtrans-74.5-45.1175.9-164.353.4-130.800110S29 Q30 E34 K35 Q36S29-E32 PolarHBondContact O-N 3.36Å; S29-E32 PolarHBondContact OG-N 3.31Å; Q30-E32 PolarHBondContact O-N 3Å; E32-E34 VanDerWaalsContact C-N 3.25Å; E32-E34 PolarHBondContact O-N 3Å; E32-K35 WeakPolarHBondContact O-CB 3.35Å; E32-K35 PolarHBondContact O-N 2.87Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E32-K35 IonicContact OE1-NZ 2.64Å; E32-K35 WeakPolarHBondContact OE2-CE 3.35Å; E32-K35 IonicContact OE2-NZ 3.96Å; E32-K35 PolarHBondContact OE2-NZ 2.73Å; E32-Q36 VanDerWaalsContact O-CG 3.3Å; E32-Q36 WeakPolarHBondContact O-CG 3.44Å; E32-Q36 PolarHBondContact O-N 2.83Å; E32-Q36 PolarHBondContact OE1-NE2 2.94Å
33Y84Confident84.2Confident6 Ų662.8 Ų62.82%0.02431%0.312CS..Hα-helixtrans-55.8-40.3171.6-173-115.7000112.7V5 I9 Y13 W15 L18 L26 S29 Q30 K35 Q36 V37V5-Y33 HydrophobicContact CG1-CD2 4.33Å; V5-Y33 HydrophobicContact CG1-CE2 4.24Å; I9-Y33 HydrophobicContact CD1-CE2 4.13Å; I9-Y33 HydrophobicContact CG1-CE2 3.64Å; I9-Y33 WeakPolarHBondContact CG1-OH 3.33Å; Y13-Y33 PolarHBondContact O-OH 2.81Å; W15-Y33 HydrophobicContact CB-CD1 4.21Å; W15-Y33 VanDerWaalsContact CE3-CB 3.46Å; W15-Y33 HydrophobicContact CE3-CD1 4.01Å; W15-Y33 AromaticContact CE3-CG 3.8Å; W15-Y33 HydrophobicContact CE3-CG 3.8Å; W15-Y33 HydrophobicContact CZ3-CG 4.3Å; L18-Y33 HydrophobicContact CD1-CD1 4.05Å; L18-Y33 HydrophobicContact CD1-CD2 3.8Å; L18-Y33 HydrophobicContact CD1-CE1 4.03Å; L18-Y33 HydrophobicContact CD1-CE2 3.78Å; L18-Y33 HydrophobicContact CD1-CG 3.93Å; L18-Y33 HydrophobicContact CD2-CE2 4.2Å; L26-Y33 HydrophobicContact CD1-CD2 3.59Å; L26-Y33 HydrophobicContact CD1-CG 4.22Å; S29-Y33 PolarHBondContact O-N 3.33Å; Q30-Y33 PolarHBondContact O-N 3.48Å; Y33-K35 PolarHBondContact O-N 3.38Å; Y33-Q36 PolarHBondContact O-N 3.22Å; Y33-V37 HydrophobicContact CD1-CG2 4.06Å; Y33-V37 HydrophobicContact CE1-CG2 3.69Å; Y33-V37 HydrophobicContact CE2-CG2 4.19Å; Y33-V37 HydrophobicContact CG-CG2 4.45Å; Y33-V37 WeakPolarHBondContact O-CB 3.44Å; Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.13Å
34E85.6Confident84.4Confident59 Ų5960.6 Ų60.628%0.27631%0.306SS..Hα-helixtrans-61.1-41.8175.5-76.3169.1177.700112.8Q30 E32 V38 V56Q30-E34 HydrophobicContact CG-CG 4.39Å; Q30-E34 WeakPolarHBondContact CG-OE1 3.48Å; Q30-E34 PolarHBondContact NE2-OE1 2.95Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 2.99Å; E32-E34 VanDerWaalsContact C-N 3.25Å; E32-E34 PolarHBondContact O-N 3Å; E34-V38 WeakPolarHBondContact O-CG2 3.38Å; E34-V38 PolarHBondContact O-N 3.15Å; E34-V56 HydrophobicContact CB-CG1 3.74Å; E34-V56 HydrophobicContact CB-CG2 4.35Å; E34-V56 HydrophobicContact CG-CG1 4.13Å; E34-V56 HydrophobicContact CG-CG2 4.08Å
35K86.9Confident84.7Confident116 Ų11654.3 Ų54.350%0.50428%0.276SS..Hα-helixtrans-63-46.9170.6-66.1178-155.6161.20111.4R31 E32 Y33 V37 V38 L39R31-K35 WeakPolarHBondContact O-CG 3.44Å; R31-K35 PolarHBondContact O-N 3Å; E32-K35 WeakPolarHBondContact O-CB 3.35Å; E32-K35 PolarHBondContact O-N 2.87Å; E32-K35 VanDerWaalsContact O-N 3.1Å; E32-K35 IonicContact OE1-NZ 2.64Å; E32-K35 WeakPolarHBondContact OE2-CE 3.35Å; E32-K35 IonicContact OE2-NZ 3.96Å; E32-K35 PolarHBondContact OE2-NZ 2.73Å; Y33-K35 PolarHBondContact O-N 3.38Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 3.04Å; K35-V38 PolarHBondContact O-N 2.85Å; K35-V38 VanDerWaalsContact O-N 3.11Å; K35-L39 WeakPolarHBondContact O-CG 3.18Å; K35-L39 PolarHBondContact O-N 3.01Å
36Q84.9Confident85Confident39 Ų3952.8 Ų52.818%0.18226%0.263CS..Hα-helixtrans-61.2-39.9-178.4-66.7-47.4-4900111.3M1 V5 I9 L26 E32 Y33 L39 Y40M1-Q36 HydrophobicContact CE-CB 3.47Å; M1-Q36 VanDerWaalsContact CE-CB 3.47Å; M1-Q36 HydrophobicContact CE-CG 4.11Å; M1-Q36 WeakPolarHBondContact CE-O 3.18Å; V5-Q36 HydrophobicContact CG1-CB 4.42Å; I9-Q36 HydrophobicContact CD1-CB 4.44Å; L26-Q36 HydrophobicContact CD2-CG 4.07Å; E32-Q36 VanDerWaalsContact O-CG 3.3Å; E32-Q36 WeakPolarHBondContact O-CG 3.44Å; E32-Q36 PolarHBondContact O-N 2.83Å; E32-Q36 PolarHBondContact OE1-NE2 2.94Å; Y33-Q36 PolarHBondContact O-N 3.22Å; Q36-L39 PolarHBondContact O-N 2.96Å; Q36-Y40 VanDerWaalsContact O-CB 3.23Å; Q36-Y40 WeakPolarHBondContact O-CB 3.39Å; Q36-Y40 PolarHBondContact O-N 2.92Å
37V86.3Confident85.4Confident2 Ų256.6 Ų56.61%0.01228%0.275CS..Hα-helixtrans-57.2-47.9170.8164.80000111.5I9 Y33 K35 S41 L52 V56I9-V37 HydrophobicContact CD1-CG2 4.21Å; I9-V37 HydrophobicContact CG1-CG2 3.9Å; I9-V37 HydrophobicContact CG2-CG2 4.33Å; Y33-V37 HydrophobicContact CD1-CG2 4.06Å; Y33-V37 HydrophobicContact CE1-CG2 3.69Å; Y33-V37 HydrophobicContact CE2-CG2 4.19Å; Y33-V37 HydrophobicContact CG-CG2 4.45Å; Y33-V37 WeakPolarHBondContact O-CB 3.44Å; Y33-V37 VanDerWaalsContact O-CG2 3.31Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.13Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-V37 PolarHBondContact O-N 3.04Å; V37-S41 VanDerWaalsContact O-CB 3.25Å; V37-S41 WeakPolarHBondContact O-CB 3.46Å; V37-S41 PolarHBondContact O-N 2.88Å; V37-S41 PolarHBondContact O-OG 2.97Å; V37-L52 HydrophobicContact CG1-CB 3.71Å; V37-L52 HydrophobicContact CG2-CB 4.46Å; V37-L52 HydrophobicContact CG2-CD1 4.13Å; V37-V56 HydrophobicContact CB-CG2 4.5Å; V37-V56 HydrophobicContact CG1-CG2 4.04Å
38V86.8Confident85.6Confident15 Ų1554.5 Ų54.59%0.09125%0.248CC..Hα-helixtrans-65.9-47.6-179.9171.40000111.1E34 K35 S41 I42 V56 K57E34-V38 WeakPolarHBondContact O-CG2 3.38Å; E34-V38 PolarHBondContact O-N 3.15Å; K35-V38 PolarHBondContact O-N 2.85Å; K35-V38 VanDerWaalsContact O-N 3.11Å; V38-S41 PolarHBondContact O-N 3.33Å; V38-I42 HydrophobicContact CG1-CD1 3.68Å; V38-I42 HydrophobicContact CG1-CG1 4.5Å; V38-I42 WeakPolarHBondContact O-CG1 3.39Å; V38-I42 PolarHBondContact O-N 3.42Å; V38-V56 HydrophobicContact CG2-CB 4.21Å; V38-V56 HydrophobicContact CG2-CG1 3.76Å; V38-K57 HydrophobicContact CG2-CG 4.35Å
39L86.7Confident85.5Confident90 Ų9056.3 Ų56.347%0.47125%0.247SC..Hα-helixtrans-60.8-47.2179.1-70.6171000112.1K35 Q36 S41 I42 R43K35-L39 WeakPolarHBondContact O-CG 3.18Å; K35-L39 PolarHBondContact O-N 3.01Å; Q36-L39 PolarHBondContact O-N 2.96Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 2.85Å; L39-I42 PolarHBondContact O-N 2.64Å; L39-R43 VanDerWaalsContact O-CB 3.31Å; L39-R43 WeakPolarHBondContact O-CB 3.35Å; L39-R43 PolarHBondContact O-N 2.72Å
40Y86.7Confident85.3Confident13 Ų1360 Ų605%0.05126%0.263CS..Hα-helixtrans-60.2-41.9175.6-177.7-95000112.1M1 E6 I9 Q36 R43 N44 L46M1-Y40 HydrophobicContact SD-CD2 4.14Å; E6-Y40 HydrophobicContact CB-CD2 4.04Å; E6-Y40 HydrophobicContact CB-CE2 3.55Å; E6-Y40 HydrophobicContact CG-CD2 3.66Å; E6-Y40 HydrophobicContact CG-CE2 3.61Å; E6-Y40 WeakPolarHBondContact OE2-CE2 3.49Å; I9-Y40 HydrophobicContact CB-CD1 4.06Å; I9-Y40 HydrophobicContact CB-CE1 4.34Å; I9-Y40 HydrophobicContact CB-CG 4.44Å; I9-Y40 HydrophobicContact CD1-CG 4.35Å; I9-Y40 HydrophobicContact CG2-CD1 3.38Å; I9-Y40 HydrophobicContact CG2-CE1 3.92Å; I9-Y40 HydrophobicContact CG2-CG 4.02Å; Q36-Y40 VanDerWaalsContact O-CB 3.23Å; Q36-Y40 WeakPolarHBondContact O-CB 3.39Å; Q36-Y40 PolarHBondContact O-N 2.92Å; Y40-R43 PolarHBondContact O-N 3.42Å; Y40-N44 WeakPolarHBondContact CD2-ND2 3.29Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.17Å; Y40-N44 VanDerWaalsContact CZ-ND2 3.28Å; Y40-N44 WeakPolarHBondContact O-CB 3.48Å; Y40-N44 PolarHBondContact O-N 2.87Å; Y40-N44 PolarHBondContact O-ND2 3.21Å; Y40-L46 HydrophobicContact CD1-CD1 4.08Å; Y40-L46 HydrophobicContact CE1-CD1 4.03Å
41S87.5Confident85.1Confident2 Ų257.1 Ų57.11%0.01425%0.251CS..Hα-helixtrans-72-33.5-176.9-56.60000112.8V37 V38 L39 Q45 L46 V53 Y63V37-S41 VanDerWaalsContact O-CB 3.25Å; V37-S41 WeakPolarHBondContact O-CB 3.46Å; V37-S41 PolarHBondContact O-N 2.88Å; V37-S41 PolarHBondContact O-OG 2.97Å; V38-S41 PolarHBondContact O-N 3.33Å; L39-S41 VanDerWaalsContact C-N 3.32Å; L39-S41 PolarHBondContact O-N 2.85Å; S41-Q45 PolarHBondContact O-N 3.11Å; S41-Q45 VanDerWaalsContact O-N 3.15Å; S41-L46 PolarHBondContact O-N 3.25Å; S41-V53 WeakPolarHBondContact OG-CG2 3.4Å; S41-Y63 WeakPolarHBondContact CB-OH 3.26Å; S41-Y63 PolarHBondContact O-OH 3.35Å
42I87.7Confident84.9Confident7 Ų748.6 Ų48.64%0.03622%0.219CC..Hα-helixtrans-68.1-51.6171.4-71165.8000110.4V38 L39 N44 Q45 Y63 E66 L67 Y70V38-I42 HydrophobicContact CG1-CD1 3.68Å; V38-I42 HydrophobicContact CG1-CG1 4.5Å; V38-I42 WeakPolarHBondContact O-CG1 3.39Å; V38-I42 PolarHBondContact O-N 3.42Å; L39-I42 PolarHBondContact O-N 2.64Å; I42-N44 PolarHBondContact O-N 3.35Å; I42-Q45 PolarHBondContact O-N 3.2Å; I42-Y63 HydrophobicContact CG1-CD2 4.42Å; I42-Y63 HydrophobicContact CG1-CE2 3.85Å; I42-E66 HydrophobicContact CD1-CG 4.09Å; I42-E66 VanDerWaalsContact CD1-OE2 3.23Å; I42-E66 WeakPolarHBondContact CD1-OE2 3.43Å; I42-L67 HydrophobicContact CG1-CB 4.46Å; I42-Y70 VanDerWaalsContact CG2-CB 3.43Å; I42-Y70 HydrophobicContact CG2-CD1 3.5Å; I42-Y70 HydrophobicContact CG2-CD2 4Å; I42-Y70 HydrophobicContact CG2-CE1 4.26Å; I42-Y70 HydrophobicContact CG2-CG 3.36Å
43R85.8Confident84.7Confident113 Ų11346 Ų4643%0.42621%0.207SC..Hα-helixtrans-59.3-33.9-178.2-172.6180-177.8-138.9-1.9112.9E6 L39 Y40 Y70 M76E6-R43 IonicContact OE1-NH1 2.8Å; L39-R43 VanDerWaalsContact O-CB 3.31Å; L39-R43 WeakPolarHBondContact O-CB 3.35Å; L39-R43 PolarHBondContact O-N 2.72Å; Y40-R43 PolarHBondContact O-N 3.42Å; R43-Y70 HydrophobicContact CB-CE1 4.39Å; R43-M76 WeakPolarHBondContact O-CE 3.49Å
44N85Confident84.7Confident20 Ų2050.9 Ų50.911%0.10723%0.229CC..THydrogen-bonded Turntrans-101.415.8177.9-58.4-56.9000113.4Y40 I42 L46 Y250Y40-N44 WeakPolarHBondContact CD2-ND2 3.29Å; Y40-N44 WeakPolarHBondContact CE2-ND2 3.17Å; Y40-N44 VanDerWaalsContact CZ-ND2 3.28Å; Y40-N44 WeakPolarHBondContact O-CB 3.48Å; Y40-N44 PolarHBondContact O-N 2.87Å; Y40-N44 PolarHBondContact O-ND2 3.21Å; I42-N44 PolarHBondContact O-N 3.35Å; N44-L46 VanDerWaalsContact C-N 3.28Å; N44-L46 HydrophobicContact CB-CD2 4.17Å; N44-L46 HydrophobicContact CB-CG 4.13Å; N44-L46 WeakPolarHBondContact O-CD2 3.45Å; N44-L46 PolarHBondContact O-N 3.05Å; N44-L46 VanDerWaalsContact O-N 3.13Å; N44-Y250 WeakPolarHBondContact OD1-CD1 3.4Å; N44-Y250 VanDerWaalsContact OD1-CG 3.32Å
45Q87.3Confident84.4Confident10 Ų1055.6 Ų55.65%0.04725%0.25CS..THydrogen-bonded Turntrans47.842.1175.7-59.6-179.2-19.400114.4S41 I42 L67 S71 M76 L77 H81S41-Q45 PolarHBondContact O-N 3.11Å; S41-Q45 VanDerWaalsContact O-N 3.15Å; I42-Q45 PolarHBondContact O-N 3.2Å; Q45-L67 HydrophobicContact CG-CD2 4.29Å; Q45-S71 PolarHBondContact NE2-OG 3.4Å; Q45-S71 VanDerWaalsContact NE2-OG 3.16Å; Q45-M76 HydrophobicContact CG-CE 4.09Å; Q45-L77 PolarHBondContact NE2-O 3.29Å; Q45-L77 VanDerWaalsContact NE2-O 3.13Å; Q45-H81 PolarHBondContact O-NE2 3.04Å
46L86.5Confident84Confident37 Ų3752.3 Ų52.319%0.19424%0.24CC..  trans-76.1141.9-172.3-60.9-174.7000113Y40 S41 N44 Y48 Y63Y40-L46 HydrophobicContact CD1-CD1 4.08Å; Y40-L46 HydrophobicContact CE1-CD1 4.03Å; S41-L46 PolarHBondContact O-N 3.25Å; N44-L46 VanDerWaalsContact C-N 3.28Å; N44-L46 HydrophobicContact CB-CD2 4.17Å; N44-L46 HydrophobicContact CB-CG 4.13Å; N44-L46 WeakPolarHBondContact O-CD2 3.45Å; N44-L46 PolarHBondContact O-N 3.05Å; N44-L46 VanDerWaalsContact O-N 3.13Å; L46-Y48 PolarHBondContact O-N 2.65Å; L46-Y63 WeakPolarHBondContact O-CE1 3.46Å; L46-Y63 PolarHBondContact O-OH 3.41Å
47R86.9Confident83.8Confident100 Ų10053.1 Ų53.138%0.37724%0.243SC..  trans-72.9126.2178.3-156.9177.5-167.8-162.76.1111.1R49 N51 Y64 L82 D84 I85R47-R49 PolarHBondContact O-N 3.29Å; R47-N51 PolarHBondContact O-ND2 3.39Å; R47-Y64 WeakPolarHBondContact CG-OH 3.38Å; R47-L82 HydrophobicContact CB-CD2 3.98Å; R47-L82 HydrophobicContact CG-CD2 3.87Å; R47-D84 IonicContact CZ-OD2 3.21Å; R47-D84 IonicContact NH2-OD1 3.01Å; R47-D84 IonicContact NH2-OD2 3.82Å; R47-D84 PolarHBondContact NH2-OD2 3.01Å; R47-I85 HydrophobicContact CG-CD1 4.26Å
48Y83.9Confident83.6Confident19 Ų1961.9 Ų61.98%0.07528%0.281CS..G310 helixtrans-53.2-47.5-174.8178.3-100.3000114.3L46 N50 N51 V53 K54 K57 K58 E60 Y63 Y64L46-Y48 PolarHBondContact O-N 2.65Å; Y48-N50 VanDerWaalsContact C-N 3.3Å; Y48-N50 PolarHBondContact O-N 2.94Å; Y48-N51 PolarHBondContact O-N 3.2Å; Y48-V53 HydrophobicContact CD2-CB 4.26Å; Y48-V53 HydrophobicContact CD2-CG1 3.76Å; Y48-V53 HydrophobicContact CE2-CG1 4.16Å; Y48-K54 HydrophobicContact CE1-CB 4.33Å; Y48-K54 HydrophobicContact CE1-CG 4.14Å; Y48-K54 HydrophobicContact CE2-CB 4.47Å; Y48-K57 WeakPolarHBondContact CE2-O 3.25Å; Y48-K57 PolarHBondContact OH-O 3.24Å; Y48-K58 WeakPolarHBondContact OH-CA 3.41Å; Y48-K58 PolarHBondContact OH-O 2.96Å; Y48-E60 HydrophobicContact CD1-CB 3.78Å; Y48-E60 HydrophobicContact CD1-CG 3.54Å; Y48-E60 VanDerWaalsContact CD1-OE1 3.32Å; Y48-E60 WeakPolarHBondContact CD1-OE1 3.33Å; Y48-E60 HydrophobicContact CE1-CB 3.59Å; Y48-E60 HydrophobicContact CE1-CG 3.92Å; Y48-E60 HydrophobicContact CG-CB 4.33Å; Y48-E60 HydrophobicContact CG-CG 3.96Å; Y48-Y63 AromaticContact CD2-CD1 3.96Å; Y48-Y63 HydrophobicContact CD2-CD1 3.96Å; Y48-Y63 HydrophobicContact CD2-CG 4.2Å; Y48-Y63 HydrophobicContact CG-CD1 4.4Å; Y48-Y64 WeakPolarHBondContact CB-OH 3.34Å; Y48-Y64 PolarHBondContact N-OH 2.96Å
49R79.3Confident83.5Confident145 Ų14565 Ų6555%0.54730%0.297SS..G310 helixtrans-65.8-27.1-165.4-62.6-174.4176.8-171-6.3115.4R47 E60R47-R49 PolarHBondContact O-N 3.29Å; R49-E60 WeakPolarHBondContact CG-OE1 3.36Å; R49-E60 IonicContact CZ-OE1 3.57Å; R49-E60 IonicContact CZ-OE2 3.49Å; R49-E60 IonicContact NE-OE1 3.19Å; R49-E60 PolarHBondContact NE-OE1 3.34Å; R49-E60 IonicContact NE-OE2 3.42Å; R49-E60 PolarHBondContact NE-OE2 3.34Å; R49-E60 IonicContact NH2-OE1 3.42Å; R49-E60 IonicContact NH2-OE2 2.72Å; R49-E60 PolarHBondContact NH2-OE2 3.14Å
50N78.8Confident83.5Confident124 Ų12463 Ų6366%0.66329%0.285SS*.G310 helixtrans-107.4-3.1-171.6-6517.2000113Y48Y48-N50 VanDerWaalsContact C-N 3.3Å; Y48-N50 PolarHBondContact O-N 2.94Å
51N82.4Confident83.5Confident32 Ų3269.6 Ų69.617%0.17131%0.31CS..SBendtrans-123.4162.2-170.9-68.9-67.8000113N12 R47 Y48 V53 K54N12-N51 PolarHBondContact ND2-OD1 2.88Å; N12-N51 WeakPolarHBondContact OD1-CA 3.48Å; N12-N51 PolarHBondContact OD1-OD1 3.05Å; R47-N51 PolarHBondContact O-ND2 3.39Å; Y48-N51 PolarHBondContact O-N 3.2Å; N51-V53 PolarHBondContact O-N 2.91Å; N51-K54 PolarHBondContact O-N 3.47Å
52L79.6Confident83.6Confident17 Ų1777.2 Ų77.29%0.08934%0.339CS..THydrogen-bonded Turntrans-48.1-28.7-179.3-76170.1000114.6N12 P14 V37 K54 H55N12-L52 HydrophobicContact CB-CG 4.22Å; N12-L52 WeakPolarHBondContact OD1-CG 3.43Å; N12-L52 PolarHBondContact OD1-N 2.9Å; P14-L52 HydrophobicContact CB-CD2 4.39Å; V37-L52 HydrophobicContact CG1-CB 3.71Å; V37-L52 HydrophobicContact CG2-CB 4.46Å; V37-L52 HydrophobicContact CG2-CD1 4.13Å; L52-K54 PolarHBondContact O-N 3.26Å; L52-K54 VanDerWaalsContact O-N 3.1Å; L52-H55 WeakPolarHBondContact O-CB 3.34Å; L52-H55 PolarHBondContact O-N 2.97Å
53V80.9Confident83.7Confident0 Ų076.9 Ų76.90%034%0.337CS..Hα-helixtrans-45.9-41.9177.1-173.50000112.8S41 Y48 N51 H55 V56 K57 Y63S41-V53 WeakPolarHBondContact OG-CG2 3.4Å; Y48-V53 HydrophobicContact CD2-CB 4.26Å; Y48-V53 HydrophobicContact CD2-CG1 3.76Å; Y48-V53 HydrophobicContact CE2-CG1 4.16Å; N51-V53 PolarHBondContact O-N 2.91Å; V53-H55 PolarHBondContact O-N 3.48Å; V53-H55 VanDerWaalsContact O-N 3.11Å; V53-V56 PolarHBondContact O-N 3.49Å; V53-K57 PolarHBondContact O-N 3.48Å; V53-Y63 HydrophobicContact CG1-CD1 4.41Å; V53-Y63 HydrophobicContact CG1-CD2 3.58Å; V53-Y63 HydrophobicContact CG1-CE1 4.42Å; V53-Y63 HydrophobicContact CG1-CE2 3.59Å; V53-Y63 HydrophobicContact CG1-CG 3.99Å; V53-Y63 HydrophobicContact CG2-CE2 4.16Å
54K83.3Confident83.9Confident109 Ų10971.6 Ų71.647%0.47432%0.317SS..Hα-helixtrans-57.9-23.4-179.8-178.4-177.7177.7-174.70114.2Y48 N51 L52 K57Y48-K54 HydrophobicContact CE1-CB 4.33Å; Y48-K54 HydrophobicContact CE1-CG 4.14Å; Y48-K54 HydrophobicContact CE2-CB 4.47Å; N51-K54 PolarHBondContact O-N 3.47Å; L52-K54 PolarHBondContact O-N 3.26Å; L52-K54 VanDerWaalsContact O-N 3.1Å; K54-K57 CarbonylContact C-O 3.51Å
55H79Confident84.2Confident157 Ų15774.3 Ų74.373%0.72733%0.329SS*.Hα-helixtrans-90.3-18.8176.2-62.2-80.4000112.7L52 V53L52-H55 WeakPolarHBondContact O-CB 3.34Å; L52-H55 PolarHBondContact O-N 2.97Å; V53-H55 PolarHBondContact O-N 3.48Å; V53-H55 VanDerWaalsContact O-N 3.11Å
56V79.8Confident84.4Confident47 Ų4777.5 Ų77.529%0.28534%0.344SS..Hα-helixtrans-98.3-53.8-176.7-172.80000111.7E34 V37 V38 V53E34-V56 HydrophobicContact CB-CG1 3.74Å; E34-V56 HydrophobicContact CB-CG2 4.35Å; E34-V56 HydrophobicContact CG-CG1 4.13Å; E34-V56 HydrophobicContact CG-CG2 4.08Å; V37-V56 HydrophobicContact CB-CG2 4.5Å; V37-V56 HydrophobicContact CG1-CG2 4.04Å; V38-V56 HydrophobicContact CG2-CB 4.21Å; V38-V56 HydrophobicContact CG2-CG1 3.76Å; V53-V56 PolarHBondContact O-N 3.49Å
57K80.8Confident84.6Confident56 Ų5675.8 Ų75.824%0.24334%0.335CS..  trans-100.6138.3169.8-73.3-163.8170.8-169.60109.2V38 Y48 V53 K54 E66V38-K57 HydrophobicContact CG2-CG 4.35Å; Y48-K57 WeakPolarHBondContact CE2-O 3.25Å; Y48-K57 PolarHBondContact OH-O 3.24Å; V53-K57 PolarHBondContact O-N 3.48Å; K54-K57 CarbonylContact C-O 3.51Å; K57-E66 IonicContact NZ-OE1 2.66Å; K57-E66 PolarHBondContact NZ-OE1 3.21Å; K57-E66 IonicContact NZ-OE2 2.8Å; K57-E66 PolarHBondContact NZ-OE2 2.97Å
58K80.8Confident84.8Confident187 Ų18771.5 Ų71.581%0.81332%0.319SS*.  trans-97.1-23.2178.5-62.4-178.6-179.6179.30113.3Y48 E60Y48-K58 WeakPolarHBondContact OH-CA 3.41Å; Y48-K58 PolarHBondContact OH-O 2.96Å; K58-E60 PolarHBondContact O-N 3.16Å
59D85.7Confident85.2Confident79 Ų7977 Ų7742%0.42234%0.344SS..  trans-91.793.3-177.3-64.2-21.2000110.4R61 R62 Y63D59-R61 PolarHBondContact O-N 3.35Å; D59-R62 HydrophobicContact CB-CB 3.88Å; D59-R62 HydrophobicContact CB-CG 4.11Å; D59-R62 PolarHBondContact O-N 3Å; D59-R62 WeakPolarHBondContact OD2-CD 3.32Å; D59-R62 IonicContact OD2-CZ 2.77Å; D59-R62 IonicContact OD2-NE 3.99Å; D59-R62 IonicContact OD2-NH1 3.7Å; D59-R62 PolarHBondContact OD2-NH1 2.79Å; D59-Y63 PolarHBondContact O-N 3.38Å; D59-Y63 VanDerWaalsContact O-N 3.16Å
60E86.8Confident85.7Confident50 Ų5073.1 Ų73.123%0.23433%0.33CS..Hα-helixtrans-51.8-44.9178.4-177.3164.5-133.700111.5Y48 R49 K58 Y63 Y64Y48-E60 HydrophobicContact CD1-CB 3.78Å; Y48-E60 HydrophobicContact CD1-CG 3.54Å; Y48-E60 VanDerWaalsContact CD1-OE1 3.32Å; Y48-E60 WeakPolarHBondContact CD1-OE1 3.33Å; Y48-E60 HydrophobicContact CE1-CB 3.59Å; Y48-E60 HydrophobicContact CE1-CG 3.92Å; Y48-E60 HydrophobicContact CG-CB 4.33Å; Y48-E60 HydrophobicContact CG-CG 3.96Å; R49-E60 WeakPolarHBondContact CG-OE1 3.36Å; R49-E60 IonicContact CZ-OE1 3.57Å; R49-E60 IonicContact CZ-OE2 3.49Å; R49-E60 IonicContact NE-OE1 3.19Å; R49-E60 PolarHBondContact NE-OE1 3.34Å; R49-E60 IonicContact NE-OE2 3.42Å; R49-E60 PolarHBondContact NE-OE2 3.34Å; R49-E60 IonicContact NH2-OE1 3.42Å; R49-E60 IonicContact NH2-OE2 2.72Å; R49-E60 PolarHBondContact NH2-OE2 3.14Å; K58-E60 PolarHBondContact O-N 3.16Å; E60-Y63 PolarHBondContact O-N 3.02Å; E60-Y64 HydrophobicContact CG-CD2 4.01Å; E60-Y64 HydrophobicContact CG-CE2 3.64Å; E60-Y64 WeakPolarHBondContact O-CD2 3.11Å; E60-Y64 PolarHBondContact O-N 2.89Å
61R87.1Confident86.3Confident150 Ų15067.2 Ų67.257%0.56630%0.298SS*.Hα-helixtrans-61.4-49.7-180-173.9-180168.711513.2113D59 Y63 Y64 E65 L90D59-R61 PolarHBondContact O-N 3.35Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 3.45Å; R61-Y64 PolarHBondContact O-N 3.4Å; R61-Y64 VanDerWaalsContact O-N 3.16Å; R61-E65 HydrophobicContact CG-CG 4.45Å; R61-E65 IonicContact CZ-OE1 2.77Å; R61-E65 IonicContact NE-OE1 3.71Å; R61-E65 PolarHBondContact NE-OE1 3.08Å; R61-E65 IonicContact NH2-OE1 2.65Å; R61-E65 PolarHBondContact NH2-OE1 3.49Å; R61-E65 WeakPolarHBondContact O-CG 3.29Å; R61-E65 PolarHBondContact O-N 2.87Å; R61-L90 HydrophobicContact CG-CD2 3.8Å
62R88.3Confident86.6Confident163 Ų16369.3 Ų69.362%0.61530%0.303SS*.Hα-helixtrans-65.9-30.7-178.4-74.2-174.6173.5142.8-10.6112.8D59 E66D59-R62 HydrophobicContact CB-CB 3.88Å; D59-R62 HydrophobicContact CB-CG 4.11Å; D59-R62 PolarHBondContact O-N 3Å; D59-R62 WeakPolarHBondContact OD2-CD 3.32Å; D59-R62 IonicContact OD2-CZ 2.77Å; D59-R62 IonicContact OD2-NE 3.99Å; D59-R62 IonicContact OD2-NH1 3.7Å; D59-R62 PolarHBondContact OD2-NH1 2.79Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 PolarHBondContact O-N 3.21Å
63Y90.6Very high87.1Confident0 Ų072.7 Ų72.70%032%0.322CS..Hα-helixtrans-62.6-45.4172.6167.7-105.3000111.4S41 I42 L46 Y48 V53 D59 E60 R61 E66 L67S41-Y63 WeakPolarHBondContact CB-OH 3.26Å; S41-Y63 PolarHBondContact O-OH 3.35Å; I42-Y63 HydrophobicContact CG1-CD2 4.42Å; I42-Y63 HydrophobicContact CG1-CE2 3.85Å; L46-Y63 WeakPolarHBondContact O-CE1 3.46Å; L46-Y63 PolarHBondContact O-OH 3.41Å; Y48-Y63 AromaticContact CD2-CD1 3.96Å; Y48-Y63 HydrophobicContact CD2-CD1 3.96Å; Y48-Y63 HydrophobicContact CD2-CG 4.2Å; Y48-Y63 HydrophobicContact CG-CD1 4.4Å; V53-Y63 HydrophobicContact CG1-CD1 4.41Å; V53-Y63 HydrophobicContact CG1-CD2 3.58Å; V53-Y63 HydrophobicContact CG1-CE1 4.42Å; V53-Y63 HydrophobicContact CG1-CE2 3.59Å; V53-Y63 HydrophobicContact CG1-CG 3.99Å; V53-Y63 HydrophobicContact CG2-CE2 4.16Å; D59-Y63 PolarHBondContact O-N 3.38Å; D59-Y63 VanDerWaalsContact O-N 3.16Å; E60-Y63 PolarHBondContact O-N 3.02Å; R61-Y63 VanDerWaalsContact C-N 3.28Å; R61-Y63 PolarHBondContact O-N 3.45Å; Y63-E66 PolarHBondContact O-N 3.21Å; Y63-L67 HydrophobicContact CE1-CD1 4.02Å; Y63-L67 VanDerWaalsContact O-CB 3.31Å; Y63-L67 WeakPolarHBondContact O-CB 3.44Å; Y63-L67 PolarHBondContact O-N 2.74Å
64Y90.4Very high87.5Confident2 Ų277.3 Ų77.31%0.00834%0.343CS..Hα-helixtrans-72.9-31.7178.6-68.7-63.3000113.6R47 Y48 E60 R61 L67 L68 L82 I85 M86R47-Y64 WeakPolarHBondContact CG-OH 3.38Å; Y48-Y64 WeakPolarHBondContact CB-OH 3.34Å; Y48-Y64 PolarHBondContact N-OH 2.96Å; E60-Y64 HydrophobicContact CG-CD2 4.01Å; E60-Y64 HydrophobicContact CG-CE2 3.64Å; E60-Y64 WeakPolarHBondContact O-CD2 3.11Å; E60-Y64 PolarHBondContact O-N 2.89Å; R61-Y64 PolarHBondContact O-N 3.4Å; R61-Y64 VanDerWaalsContact O-N 3.16Å; Y64-L67 HydrophobicContact CD1-CD1 4.14Å; Y64-L67 HydrophobicContact CE1-CD1 4.43Å; Y64-L67 PolarHBondContact O-N 2.93Å; Y64-L68 PolarHBondContact O-N 3.4Å; Y64-L82 HydrophobicContact CD1-CD1 4.29Å; Y64-L82 HydrophobicContact CE1-CD1 3.91Å; Y64-L82 HydrophobicContact CE1-CD2 4.35Å; Y64-I85 HydrophobicContact CD1-CG2 4.43Å; Y64-I85 HydrophobicContact CD2-CG2 3.55Å; Y64-I85 HydrophobicContact CE1-CD1 4.35Å; Y64-I85 HydrophobicContact CE2-CD1 3.75Å; Y64-I85 HydrophobicContact CE2-CG2 3.69Å; Y64-I85 HydrophobicContact CG-CG2 3.94Å; Y64-I85 WeakPolarHBondContact OH-CD1 3.27Å; Y64-M86 HydrophobicContact CD1-CE 3.7Å; Y64-M86 HydrophobicContact CG-CE 4.29Å
65E90.7Very high87.8Confident77 Ų7773 Ų7336%0.3633%0.325SS..Hα-helixtrans-63.6-41.2171.1-70.7168.2162.300111.7R61 K69 L90R61-E65 HydrophobicContact CG-CG 4.45Å; R61-E65 IonicContact CZ-OE1 2.77Å; R61-E65 IonicContact NE-OE1 3.71Å; R61-E65 PolarHBondContact NE-OE1 3.08Å; R61-E65 IonicContact NH2-OE1 2.65Å; R61-E65 PolarHBondContact NH2-OE1 3.49Å; R61-E65 WeakPolarHBondContact O-CG 3.29Å; R61-E65 PolarHBondContact O-N 2.87Å; E65-K69 PolarHBondContact O-N 3.19Å; E65-K69 VanDerWaalsContact O-N 3.14Å; E65-L90 HydrophobicContact CG-CD1 4.15Å; E65-L90 HydrophobicContact CG-CD2 3.76Å
66E90.5Very high88.3Confident77 Ų7765.8 Ų65.836%0.3629%0.292SS..Hα-helixtrans-70.5-38.9175.1-173.9-174.4-110.100112.5I42 K57 R62 Y63 K69 Y70I42-E66 HydrophobicContact CD1-CG 4.09Å; I42-E66 VanDerWaalsContact CD1-OE2 3.23Å; I42-E66 WeakPolarHBondContact CD1-OE2 3.43Å; K57-E66 IonicContact NZ-OE1 2.66Å; K57-E66 PolarHBondContact NZ-OE1 3.21Å; K57-E66 IonicContact NZ-OE2 2.8Å; K57-E66 PolarHBondContact NZ-OE2 2.97Å; R62-E66 WeakPolarHBondContact O-CB 3.45Å; R62-E66 PolarHBondContact O-N 3.21Å; Y63-E66 PolarHBondContact O-N 3.21Å; E66-K69 PolarHBondContact O-N 3.46Å; E66-Y70 PolarHBondContact O-N 3.49Å
67L91.4Very high88.8Confident0 Ų063.8 Ų63.80%028%0.28CS..Hα-helixtrans-61.7-50175.5-176.6163.9000111.3I42 Q45 Y63 Y64 K69 Y70 S71 L82 M86I42-L67 HydrophobicContact CG1-CB 4.46Å; Q45-L67 HydrophobicContact CG-CD2 4.29Å; Y63-L67 HydrophobicContact CE1-CD1 4.02Å; Y63-L67 VanDerWaalsContact O-CB 3.31Å; Y63-L67 WeakPolarHBondContact O-CB 3.44Å; Y63-L67 PolarHBondContact O-N 2.74Å; Y64-L67 HydrophobicContact CD1-CD1 4.14Å; Y64-L67 HydrophobicContact CE1-CD1 4.43Å; Y64-L67 PolarHBondContact O-N 2.93Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; L67-Y70 PolarHBondContact O-N 2.75Å; L67-S71 PolarHBondContact O-N 3.09Å; L67-S71 PolarHBondContact O-OG 3.38Å; L67-L82 HydrophobicContact CD1-CD1 4.27Å; L67-M86 HydrophobicContact CD2-CE 4.08Å
68L90.8Very high89.3Confident11 Ų1161.3 Ų61.36%0.05827%0.269CS..Hα-helixtrans-62.4-37176.6-77-177.3000112.3Y64 R72 P79 M86 L90 I92 Y97Y64-L68 PolarHBondContact O-N 3.4Å; L68-R72 WeakPolarHBondContact O-CB 3.49Å; L68-R72 PolarHBondContact O-N 3.29Å; L68-P79 HydrophobicContact CD2-CG 3.98Å; L68-M86 HydrophobicContact CD1-CE 4.38Å; L68-M86 HydrophobicContact CD1-CG 4.43Å; L68-M86 HydrophobicContact CD1-SD 3.61Å; L68-M86 HydrophobicContact CD2-CE 3.87Å; L68-M86 HydrophobicContact CD2-CG 4.33Å; L68-M86 HydrophobicContact CD2-SD 4Å; L68-M86 HydrophobicContact CG-CE 3.84Å; L68-M86 HydrophobicContact CG-SD 3.75Å; L68-L90 HydrophobicContact CD1-CD1 3.76Å; L68-I92 HydrophobicContact CD1-CB 4.35Å; L68-I92 HydrophobicContact CD1-CD1 3.52Å; L68-I92 HydrophobicContact CD1-CG2 4.23Å; L68-Y97 HydrophobicContact CD2-CD2 4.36Å; L68-Y97 HydrophobicContact CD2-CE2 4.3Å
69K91.6Very high89.8Confident135 Ų13552.4 Ų52.459%0.58723%0.23SC*.Hα-helixtrans-62-50.8173.4-173.8-173.5172-169.10110.8E65 E66 L67 S71 R72 D73E65-K69 PolarHBondContact O-N 3.19Å; E65-K69 VanDerWaalsContact O-N 3.14Å; E66-K69 PolarHBondContact O-N 3.46Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.23Å; K69-S71 VanDerWaalsContact C-N 3.33Å; K69-S71 PolarHBondContact O-N 3.11Å; K69-R72 PolarHBondContact O-N 3.06Å; K69-D73 WeakPolarHBondContact CE-OD2 3.31Å; K69-D73 WeakPolarHBondContact O-CB 3.48Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.64Å
70Y91.2Very high90Very high63 Ų6349.4 Ų49.425%0.24721%0.213CC..Hα-helixtrans-57.4-45.8178.9-179.9-86.6000111.7I42 R43 E66 L67 R72 D73 H74 M76I42-Y70 VanDerWaalsContact CG2-CB 3.43Å; I42-Y70 HydrophobicContact CG2-CD1 3.5Å; I42-Y70 HydrophobicContact CG2-CD2 4Å; I42-Y70 HydrophobicContact CG2-CE1 4.26Å; I42-Y70 HydrophobicContact CG2-CG 3.36Å; R43-Y70 HydrophobicContact CB-CE1 4.39Å; E66-Y70 PolarHBondContact O-N 3.49Å; L67-Y70 PolarHBondContact O-N 2.75Å; Y70-R72 PolarHBondContact O-N 2.86Å; Y70-D73 PolarHBondContact O-N 2.68Å; Y70-H74 AromaticContact CD1-ND1 3.92Å; Y70-H74 AromaticContact CD2-CE1 3.45Å; Y70-H74 VanDerWaalsContact CD2-CE1 3.45Å; Y70-H74 WeakPolarHBondContact CD2-CE1 3.33Å; Y70-H74 AromaticContact CD2-ND1 3.69Å; Y70-H74 AromaticContact CE1-ND1 3.85Å; Y70-H74 AromaticContact CE2-CE1 3.11Å; Y70-H74 WeakPolarHBondContact CE2-CE1 3.39Å; Y70-H74 AromaticContact CE2-ND1 3.6Å; Y70-H74 AromaticContact CE2-NE2 3.57Å; Y70-H74 AromaticContact CG-ND1 3.84Å; Y70-H74 AromaticContact CZ-CD2 3.93Å; Y70-H74 AromaticContact CZ-CE1 3.49Å; Y70-H74 VanDerWaalsContact CZ-CE1 3.49Å; Y70-H74 AromaticContact CZ-CG 3.96Å; Y70-H74 AromaticContact CZ-ND1 3.67Å; Y70-H74 AromaticContact CZ-NE2 3.63Å; Y70-H74 WeakPolarHBondContact O-CB 3.32Å; Y70-H74 PolarHBondContact O-N 2.94Å; Y70-H74 PolarHBondContact O-ND1 2.84Å; Y70-M76 HydrophobicContact CD1-SD 4.09Å; Y70-M76 HydrophobicContact CE1-SD 4.02Å
71S90.6Very high90.1Very high0 Ų050 Ų500%022%0.215CC..Hα-helixtrans-62.6-39.1177.6-69.70000112.8Q45 L67 K69 H74 L75 M76 Y97Q45-S71 PolarHBondContact NE2-OG 3.4Å; Q45-S71 VanDerWaalsContact NE2-OG 3.16Å; L67-S71 PolarHBondContact O-N 3.09Å; L67-S71 PolarHBondContact O-OG 3.38Å; K69-S71 VanDerWaalsContact C-N 3.33Å; K69-S71 PolarHBondContact O-N 3.11Å; S71-H74 CarbonylContact O-C 3.57Å; S71-H74 PolarHBondContact O-N 2.87Å; S71-L75 PolarHBondContact O-N 3.12Å; S71-M76 PolarHBondContact O-N 2.9Å; S71-M76 PolarHBondContact OG-SD 3.18Å; S71-M76 VanDerWaalsContact OG-SD 3.37Å; S71-Y97 VanDerWaalsContact C-OH 3.23Å; S71-Y97 VanDerWaalsContact CB-OH 3.28Å; S71-Y97 WeakPolarHBondContact CB-OH 3.31Å; S71-Y97 PolarHBondContact O-OH 2.68Å
72R90.1Very high90.2Very high75 Ų7542.8 Ų42.828%0.28319%0.188SC..Hα-helixtrans-66.4-45.9172.9174.6168.7167.8165.5-1.8112.3L68 K69 Y70 H74 L75 Y97 G100 I101 D104L68-R72 WeakPolarHBondContact O-CB 3.49Å; L68-R72 PolarHBondContact O-N 3.29Å; K69-R72 PolarHBondContact O-N 3.06Å; Y70-R72 PolarHBondContact O-N 2.86Å; R72-H74 PolarHBondContact O-N 2.9Å; R72-L75 PolarHBondContact O-N 3.13Å; R72-Y97 HydrophobicContact CB-CE2 4.12Å; R72-Y97 PolarHBondContact N-OH 2.89Å; R72-G100 VanDerWaalsContact CZ-C 3.49Å; R72-G100 VanDerWaalsContact CZ-O 3.3Å; R72-G100 PolarHBondContact NH2-O 2.86Å; R72-G100 VanDerWaalsContact NH2-O 3.09Å; R72-I101 HydrophobicContact CB-CG1 4.35Å; R72-I101 HydrophobicContact CG-CG1 3.94Å; R72-D104 IonicContact CZ-OD1 3.92Å; R72-D104 IonicContact CZ-OD2 3.35Å; R72-D104 VanDerWaalsContact CZ-OD2 3.24Å; R72-D104 IonicContact NE-OD1 3.65Å; R72-D104 IonicContact NE-OD2 3.7Å; R72-D104 PolarHBondContact NE-OD2 3.04Å; R72-D104 IonicContact NH2-OD1 3.54Å; R72-D104 PolarHBondContact NH2-OD1 2.77Å; R72-D104 IonicContact NH2-OD2 2.71Å; R72-D104 PolarHBondContact NH2-OD2 2.95Å
73D89.3Confident90.2Very high88 Ų8835.4 Ų35.447%0.47116%0.161SC..Hα-helixtrans-60-30.8178-70.1-16.9000112K69 Y70K69-D73 WeakPolarHBondContact CE-OD2 3.31Å; K69-D73 WeakPolarHBondContact O-CB 3.48Å; K69-D73 VanDerWaalsContact O-CG 3.28Å; K69-D73 PolarHBondContact O-N 2.64Å; Y70-D73 PolarHBondContact O-N 2.68Å
74H88.3Confident90Very high97 Ų9737.7 Ų37.745%0.44917%0.174SC..THydrogen-bonded Turntrans-103.79.5-179.1-63.574.3000114.4Y70 S71 R72 M76Y70-H74 AromaticContact CD1-ND1 3.92Å; Y70-H74 AromaticContact CD2-CE1 3.45Å; Y70-H74 VanDerWaalsContact CD2-CE1 3.45Å; Y70-H74 WeakPolarHBondContact CD2-CE1 3.33Å; Y70-H74 AromaticContact CD2-ND1 3.69Å; Y70-H74 AromaticContact CE1-ND1 3.85Å; Y70-H74 AromaticContact CE2-CE1 3.11Å; Y70-H74 WeakPolarHBondContact CE2-CE1 3.39Å; Y70-H74 AromaticContact CE2-ND1 3.6Å; Y70-H74 AromaticContact CE2-NE2 3.57Å; Y70-H74 AromaticContact CG-ND1 3.84Å; Y70-H74 AromaticContact CZ-CD2 3.93Å; Y70-H74 AromaticContact CZ-CE1 3.49Å; Y70-H74 VanDerWaalsContact CZ-CE1 3.49Å; Y70-H74 AromaticContact CZ-CG 3.96Å; Y70-H74 AromaticContact CZ-ND1 3.67Å; Y70-H74 AromaticContact CZ-NE2 3.63Å; Y70-H74 WeakPolarHBondContact O-CB 3.32Å; Y70-H74 PolarHBondContact O-N 2.94Å; Y70-H74 PolarHBondContact O-ND1 2.84Å; S71-H74 CarbonylContact O-C 3.57Å; S71-H74 PolarHBondContact O-N 2.87Å; R72-H74 PolarHBondContact O-N 2.9Å; H74-M76 HydrophobicContact CB-CG 4.09Å; H74-M76 PolarHBondContact O-N 2.84Å
75L90Very high89.9Confident18 Ų1838.8 Ų38.89%0.09418%0.179CC..THydrogen-bonded Turntrans58.724.8178.4-49.4-176.8000115.3S71 R72 I101 I105 S114 L115 P116 T119S71-L75 PolarHBondContact O-N 3.12Å; R72-L75 PolarHBondContact O-N 3.13Å; L75-I101 HydrophobicContact CD2-CG2 3.89Å; L75-I105 HydrophobicContact CD1-CD1 4.25Å; L75-I105 HydrophobicContact CD2-CD1 3.88Å; L75-I105 HydrophobicContact CD2-CG1 3.97Å; L75-S114 WeakPolarHBondContact CD1-O 3.23Å; L75-L115 HydrophobicContact CB-CD2 4.41Å; L75-L115 HydrophobicContact CD1-CD2 4.44Å; L75-P116 HydrophobicContact CB-CG 4.46Å; L75-P116 WeakPolarHBondContact O-CD 3.45Å; L75-P116 WeakPolarHBondContact O-CG 3.26Å; L75-T119 WeakPolarHBondContact O-CG2 3.35Å; L75-T119 PolarHBondContact O-OG1 2.86Å
76M89.8Confident89.8Confident7 Ų735.1 Ų35.13%0.03416%0.162CC..PPolyproline II helixtrans-68.1153.7-179.1-60.2-179.272.800112.3R43 Q45 Y70 S71 H74 Y97 D249R43-M76 WeakPolarHBondContact O-CE 3.49Å; Q45-M76 HydrophobicContact CG-CE 4.09Å; Y70-M76 HydrophobicContact CD1-SD 4.09Å; Y70-M76 HydrophobicContact CE1-SD 4.02Å; S71-M76 PolarHBondContact O-N 2.9Å; S71-M76 PolarHBondContact OG-SD 3.18Å; S71-M76 VanDerWaalsContact OG-SD 3.37Å; H74-M76 HydrophobicContact CB-CG 4.09Å; H74-M76 PolarHBondContact O-N 2.84Å; M76-Y97 PolarHBondContact O-OH 3.15Å; M76-D249 WeakPolarHBondContact CB-OD2 3.45Å; M76-D249 HydrophobicContact CE-CB 4.08Å; M76-D249 HydrophobicContact CG-CB 4.23Å; M76-D249 WeakPolarHBondContact CG-OD2 3.42Å
77L90.6Very high89.6Confident5 Ų531.6 Ų31.63%0.02615%0.146CC..PPolyproline II helixtrans-57.6145172-166.670.3000111.4Q45 Y98 F118 T119 D122 F251 M288Q45-L77 PolarHBondContact NE2-O 3.29Å; Q45-L77 VanDerWaalsContact NE2-O 3.13Å; L77-Y98 WeakPolarHBondContact CD1-OH 3.27Å; L77-F118 HydrophobicContact CD1-CB 4.26Å; L77-F118 WeakPolarHBondContact CD1-O 3.27Å; L77-F118 HydrophobicContact CD2-CB 4.49Å; L77-T119 PolarHBondContact N-OG1 2.95Å; L77-D122 HydrophobicContact CD1-CB 4.12Å; L77-F251 HydrophobicContact CD2-CD1 3.8Å; L77-F251 HydrophobicContact CD2-CE1 3.71Å; L77-M288 HydrophobicContact CD2-CE 4.15Å; L77-M288 HydrophobicContact CD2-CG 4.35Å
78Y91.7Very high89.2Confident3 Ų335.5 Ų35.51%0.01216%0.163CC..PPolyproline II helixtrans-61.3133.7177.4178.5-91000111Y80 M86 I92 P94 Y97 Y98Y78-Y80 VanDerWaalsContact C-N 3.32Å; Y78-Y80 AromaticContact CD1-CD1 3.98Å; Y78-Y80 HydrophobicContact CD1-CD1 3.98Å; Y78-Y80 AromaticContact CD1-CD2 3.72Å; Y78-Y80 HydrophobicContact CD1-CD2 3.72Å; Y78-Y80 HydrophobicContact CD1-CE1 4.08Å; Y78-Y80 AromaticContact CD1-CE2 3.84Å; Y78-Y80 HydrophobicContact CD1-CE2 3.84Å; Y78-Y80 AromaticContact CD1-CG 3.81Å; Y78-Y80 HydrophobicContact CD1-CG 3.81Å; Y78-Y80 HydrophobicContact CE1-CD1 4.22Å; Y78-Y80 HydrophobicContact CE1-CE1 4.46Å; Y78-Y80 HydrophobicContact CE1-CG 4.34Å; Y78-Y80 HydrophobicContact CG-CE2 4.36Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.48Å; Y78-Y80 PolarHBondContact O-N 3Å; Y78-M86 WeakPolarHBondContact OH-CB 3.34Å; Y78-I92 PolarHBondContact OH-O 3.26Å; Y78-P94 HydrophobicContact CD1-CB 4.19Å; Y78-P94 HydrophobicContact CD1-CG 3.93Å; Y78-P94 HydrophobicContact CD2-CB 4.4Å; Y78-P94 HydrophobicContact CE1-CB 4.36Å; Y78-P94 HydrophobicContact CE1-CG 3.67Å; Y78-P94 HydrophobicContact CE2-CG 4.38Å; Y78-P94 HydrophobicContact CG-CB 4.2Å; Y78-P94 HydrophobicContact CG-CG 4.4Å; Y78-Y97 AromaticContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD2 4.31Å; Y78-Y97 HydrophobicContact CD2-CE1 4.41Å; Y78-Y97 AromaticContact CD2-CG 3.71Å; Y78-Y97 HydrophobicContact CD2-CG 3.71Å; Y78-Y97 HydrophobicContact CE2-CG 4.47Å; Y78-Y97 HydrophobicContact CG-CD1 4.32Å; Y78-Y98 VanDerWaalsContact CB-OH 3.29Å; Y78-Y98 WeakPolarHBondContact CB-OH 3.48Å; Y78-Y98 PolarHBondContact N-OH 2.94Å
79P90.4Very high88.8Confident0 Ų036.9 Ų36.90%018%0.18CC..  trans-75.877.6-177.430.4-36000111.9L68 H81 L82 M86L68-P79 HydrophobicContact CD2-CG 3.98Å; P79-H81 PolarHBondContact O-N 2.97Å; P79-L82 HydrophobicContact CB-CB 4.2Å; P79-L82 HydrophobicContact CB-CD1 3.96Å; P79-L82 HydrophobicContact CB-CG 4.17Å; P79-L82 HydrophobicContact CG-CD1 4.43Å; P79-L82 WeakPolarHBondContact O-CA 3.22Å; P79-L82 PolarHBondContact O-N 2.95Å; P79-M86 HydrophobicContact CG-CE 4Å; P79-M86 HydrophobicContact CG-CG 4.38Å
80Y90.3Very high88.4Confident17 Ų1731.6 Ų31.67%0.06716%0.158CC..G310 helixtrans-59.6-30.4-177.8-77.3-88.2000113.5Y78 L82 S83 P94 D122 R125 M288Y78-Y80 VanDerWaalsContact C-N 3.32Å; Y78-Y80 AromaticContact CD1-CD1 3.98Å; Y78-Y80 HydrophobicContact CD1-CD1 3.98Å; Y78-Y80 AromaticContact CD1-CD2 3.72Å; Y78-Y80 HydrophobicContact CD1-CD2 3.72Å; Y78-Y80 HydrophobicContact CD1-CE1 4.08Å; Y78-Y80 AromaticContact CD1-CE2 3.84Å; Y78-Y80 HydrophobicContact CD1-CE2 3.84Å; Y78-Y80 AromaticContact CD1-CG 3.81Å; Y78-Y80 HydrophobicContact CD1-CG 3.81Å; Y78-Y80 HydrophobicContact CE1-CD1 4.22Å; Y78-Y80 HydrophobicContact CE1-CE1 4.46Å; Y78-Y80 HydrophobicContact CE1-CG 4.34Å; Y78-Y80 HydrophobicContact CG-CE2 4.36Å; Y78-Y80 WeakPolarHBondContact O-CD2 3.48Å; Y78-Y80 PolarHBondContact O-N 3Å; Y80-L82 PolarHBondContact O-N 3.5Å; Y80-S83 WeakPolarHBondContact CA-OG 3.31Å; Y80-S83 VanDerWaalsContact O-CB 3.32Å; Y80-S83 WeakPolarHBondContact O-CB 3.45Å; Y80-S83 PolarHBondContact O-N 3.3Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 3.14Å; Y80-P94 HydrophobicContact CE1-CB 4.2Å; Y80-P94 HydrophobicContact CE1-CG 3.73Å; Y80-D122 WeakPolarHBondContact CE2-OD2 3.39Å; Y80-D122 VanDerWaalsContact CZ-OD2 3.31Å; Y80-D122 PolarHBondContact OH-OD1 3.23Å; Y80-D122 PolarHBondContact OH-OD2 2.95Å; Y80-R125 PolarHBondContact OH-NH2 3.3Å; Y80-R125 VanDerWaalsContact OH-NH2 3.13Å; Y80-M288 HydrophobicContact CD2-CE 3.45Å; Y80-M288 VanDerWaalsContact CD2-CE 3.45Å; Y80-M288 HydrophobicContact CD2-SD 3.22Å; Y80-M288 WeakPolarHBondContact CD2-SD 3.42Å; Y80-M288 HydrophobicContact CE2-CE 3.49Å; Y80-M288 VanDerWaalsContact CE2-CE 3.49Å; Y80-M288 HydrophobicContact CE2-SD 3.93Å; Y80-M288 HydrophobicContact CG-CE 4.31Å; Y80-M288 HydrophobicContact CG-SD 3.65Å
81H87.9Confident88.3Confident61 Ų6134.5 Ų34.528%0.28217%0.168SC..G310 helixtrans-68.2-7.4173.365-66.1000114.3Q45 P79 N284Q45-H81 PolarHBondContact O-NE2 3.04Å; P79-H81 PolarHBondContact O-N 2.97Å; H81-N284 WeakPolarHBondContact CB-ND2 3.42Å
82L89.6Confident88.2Confident0 Ų037.1 Ų37.10%018%0.182CC..G310 helixtrans-112.812.1172.4-55.8178.4000112.3R47 Y64 L67 P79 Y80 D84 I85 M86R47-L82 HydrophobicContact CB-CD2 3.98Å; R47-L82 HydrophobicContact CG-CD2 3.87Å; Y64-L82 HydrophobicContact CD1-CD1 4.29Å; Y64-L82 HydrophobicContact CE1-CD1 3.91Å; Y64-L82 HydrophobicContact CE1-CD2 4.35Å; L67-L82 HydrophobicContact CD1-CD1 4.27Å; P79-L82 HydrophobicContact CB-CB 4.2Å; P79-L82 HydrophobicContact CB-CD1 3.96Å; P79-L82 HydrophobicContact CB-CG 4.17Å; P79-L82 HydrophobicContact CG-CD1 4.43Å; P79-L82 WeakPolarHBondContact O-CA 3.22Å; P79-L82 PolarHBondContact O-N 2.95Å; Y80-L82 PolarHBondContact O-N 3.5Å; L82-D84 PolarHBondContact O-N 3.3Å; L82-D84 VanDerWaalsContact O-N 3.13Å; L82-I85 WeakPolarHBondContact O-CA 3.49Å; L82-I85 PolarHBondContact O-N 3.41Å; L82-M86 HydrophobicContact CB-CE 4Å; L82-M86 HydrophobicContact CB-CG 4.19Å; L82-M86 HydrophobicContact CD1-CE 3.76Å; L82-M86 WeakPolarHBondContact O-CG 3.45Å; L82-M86 PolarHBondContact O-N 3.49Å
83S88.8Confident88.1Confident7 Ų735 Ų355%0.04918%0.178CC..Hα-helixtrans-56.2-31.4-178.5-61.40000113.1Y80 I85 V87Y80-S83 WeakPolarHBondContact CA-OG 3.31Å; Y80-S83 VanDerWaalsContact O-CB 3.32Å; Y80-S83 WeakPolarHBondContact O-CB 3.45Å; Y80-S83 PolarHBondContact O-N 3.3Å; Y80-S83 VanDerWaalsContact O-N 3.08Å; Y80-S83 PolarHBondContact O-OG 3.14Å; S83-I85 PolarHBondContact O-N 3.03Å; S83-V87 VanDerWaalsContact O-CB 3.31Å; S83-V87 WeakPolarHBondContact O-CB 3.36Å; S83-V87 WeakPolarHBondContact O-CG2 3.47Å; S83-V87 PolarHBondContact O-N 2.95Å
84D86.2Confident88.2Confident49 Ų4931.4 Ų31.426%0.26216%0.159SC..Hα-helixtrans-62.5-23.8174.872.2-51.4000113.5R47 L82 K88 Y222R47-D84 IonicContact CZ-OD2 3.21Å; R47-D84 IonicContact NH2-OD1 3.01Å; R47-D84 IonicContact NH2-OD2 3.82Å; R47-D84 PolarHBondContact NH2-OD2 3.01Å; L82-D84 PolarHBondContact O-N 3.3Å; L82-D84 VanDerWaalsContact O-N 3.13Å; D84-K88 WeakPolarHBondContact O-CB 3.44Å; D84-Y222 WeakPolarHBondContact CA-OH 3.26Å
85I87.9Confident88.3Confident25 Ų2528.2 Ų28.213%0.12814%0.143CC..Hα-helixtrans-101.8-42.3177.9-62.1174.8000110.6R47 Y64 L82 S83 G89 L90R47-I85 HydrophobicContact CG-CD1 4.26Å; Y64-I85 HydrophobicContact CD1-CG2 4.43Å; Y64-I85 HydrophobicContact CD2-CG2 3.55Å; Y64-I85 HydrophobicContact CE1-CD1 4.35Å; Y64-I85 HydrophobicContact CE2-CD1 3.75Å; Y64-I85 HydrophobicContact CE2-CG2 3.69Å; Y64-I85 HydrophobicContact CG-CG2 3.94Å; Y64-I85 WeakPolarHBondContact OH-CD1 3.27Å; L82-I85 WeakPolarHBondContact O-CA 3.49Å; L82-I85 PolarHBondContact O-N 3.41Å; S83-I85 PolarHBondContact O-N 3.03Å; I85-G89 WeakPolarHBondContact O-CA 3.23Å; I85-G89 PolarHBondContact O-N 3.35Å; I85-L90 PolarHBondContact O-N 3.07Å
86M88.3Confident88.4Confident0 Ų029.8 Ų29.80%016%0.156CC..Hα-helixtrans-68.9-43.9-177.8-58-46.1-178.800112.1Y64 L67 L68 Y78 P79 L82 L90 R91 I92Y64-M86 HydrophobicContact CD1-CE 3.7Å; Y64-M86 HydrophobicContact CG-CE 4.29Å; L67-M86 HydrophobicContact CD2-CE 4.08Å; L68-M86 HydrophobicContact CD1-CE 4.38Å; L68-M86 HydrophobicContact CD1-CG 4.43Å; L68-M86 HydrophobicContact CD1-SD 3.61Å; L68-M86 HydrophobicContact CD2-CE 3.87Å; L68-M86 HydrophobicContact CD2-CG 4.33Å; L68-M86 HydrophobicContact CD2-SD 4Å; L68-M86 HydrophobicContact CG-CE 3.84Å; L68-M86 HydrophobicContact CG-SD 3.75Å; Y78-M86 WeakPolarHBondContact OH-CB 3.34Å; P79-M86 HydrophobicContact CG-CE 4Å; P79-M86 HydrophobicContact CG-CG 4.38Å; L82-M86 HydrophobicContact CB-CE 4Å; L82-M86 HydrophobicContact CB-CG 4.19Å; L82-M86 HydrophobicContact CD1-CE 3.76Å; L82-M86 WeakPolarHBondContact O-CG 3.45Å; L82-M86 PolarHBondContact O-N 3.49Å; M86-L90 CarbonylContact O-C 3.48Å; M86-L90 WeakPolarHBondContact O-CB 3.36Å; M86-L90 PolarHBondContact O-N 2.92Å; M86-L90 HydrophobicContact SD-CD1 3.9Å; M86-R91 PolarHBondContact O-N 2.89Å; M86-I92 CarbonylContact C-O 3.56Å; M86-I92 PolarHBondContact O-N 2.82Å
87V85.9Confident88.5Confident3 Ų329.9 Ų29.92%0.01816%0.156CC..Hα-helixtrans-82.4-42.7-177.4-171.30000111.7S83 R91 Y222S83-V87 VanDerWaalsContact O-CB 3.31Å; S83-V87 WeakPolarHBondContact O-CB 3.36Å; S83-V87 WeakPolarHBondContact O-CG2 3.47Å; S83-V87 PolarHBondContact O-N 2.95Å; V87-R91 WeakPolarHBondContact O-CA 3.42Å; V87-R91 PolarHBondContact O-N 3.47Å; V87-Y222 HydrophobicContact CB-CD1 3.77Å; V87-Y222 HydrophobicContact CB-CE1 4.28Å; V87-Y222 HydrophobicContact CB-CG 4.35Å; V87-Y222 HydrophobicContact CG1-CD1 3.79Å; V87-Y222 HydrophobicContact CG1-CG 4.49Å; V87-Y222 HydrophobicContact CG2-CD1 4.17Å; V87-Y222 HydrophobicContact CG2-CG 4.24Å
88K83.4Confident88.7Confident82 Ų8229.6 Ų29.636%0.35716%0.155SC..Hα-helixtrans-81.8-32.2179.3-61.5171164.7157.10113.8D84 A174 Y176 Y222D84-K88 WeakPolarHBondContact O-CB 3.44Å; K88-A174 WeakPolarHBondContact CE-O 3.33Å; K88-Y176 VanDerWaalsContact O-CD2 3.26Å; K88-Y176 WeakPolarHBondContact O-CD2 3.38Å; K88-Y222 HydrophobicContact CD-CE1 4.19Å; K88-Y222 VanDerWaalsContact CE-OH 3.25Å; K88-Y222 WeakPolarHBondContact CE-OH 3.48Å; K88-Y222 HydrophobicContact CG-CE1 3.97Å; K88-Y222 PolarHBondContact NZ-OH 3.39Å
89G82.6Confident88.7Confident40 Ų4030.5 Ų30.541%0.41216%0.16SC..Hα-helixtrans-99.4-34.7-173.100000114.9I85I85-G89 WeakPolarHBondContact O-CA 3.23Å; I85-G89 PolarHBondContact O-N 3.35Å
90L84.5Confident88.7Confident24 Ų2430.7 Ų30.713%0.12616%0.162CC..SBendtrans-110.6-9.7179.7-59.4-177.8000114.1R61 E65 L68 I85 M86 I92R61-L90 HydrophobicContact CG-CD2 3.8Å; E65-L90 HydrophobicContact CG-CD1 4.15Å; E65-L90 HydrophobicContact CG-CD2 3.76Å; L68-L90 HydrophobicContact CD1-CD1 3.76Å; I85-L90 PolarHBondContact O-N 3.07Å; M86-L90 CarbonylContact O-C 3.48Å; M86-L90 WeakPolarHBondContact O-CB 3.36Å; M86-L90 PolarHBondContact O-N 2.92Å; M86-L90 HydrophobicContact SD-CD1 3.9Å; L90-I92 HydrophobicContact CB-CD1 4.03Å; L90-I92 HydrophobicContact CB-CG1 4.17Å; L90-I92 HydrophobicContact CD1-CD1 4.45Å; L90-I92 PolarHBondContact O-N 3.42Å
91R87.3Confident88.8Confident123 Ų12329.9 Ų29.946%0.46416%0.159SC..  trans57.231.1-173.4-157.2179.9174.2154.84.4113.1M86 V87 D181M86-R91 PolarHBondContact O-N 2.89Å; V87-R91 WeakPolarHBondContact O-CA 3.42Å; V87-R91 PolarHBondContact O-N 3.47Å; R91-D181 IonicContact CZ-OD1 3.57Å; R91-D181 IonicContact CZ-OD2 2.98Å; R91-D181 IonicContact NH1-OD2 3.62Å; R91-D181 PolarHBondContact NH1-OD2 3.11Å; R91-D181 IonicContact NH2-OD1 2.78Å; R91-D181 PolarHBondContact NH2-OD1 3.39Å; R91-D181 IonicContact NH2-OD2 3.5Å; R91-D181 PolarHBondContact NH2-OD2 3.09Å
92I88.4Confident88.9Confident55 Ų5527 Ų2728%0.28215%0.146SC..  trans-102.2118.6177.7-65.3171.4000108.7L68 Y78 M86 L90L68-I92 HydrophobicContact CD1-CB 4.35Å; L68-I92 HydrophobicContact CD1-CD1 3.52Å; L68-I92 HydrophobicContact CD1-CG2 4.23Å; Y78-I92 PolarHBondContact OH-O 3.26Å; M86-I92 CarbonylContact C-O 3.56Å; M86-I92 PolarHBondContact O-N 2.82Å; L90-I92 HydrophobicContact CB-CD1 4.03Å; L90-I92 HydrophobicContact CB-CG1 4.17Å; L90-I92 HydrophobicContact CD1-CD1 4.45Å; L90-I92 PolarHBondContact O-N 3.42Å
93T89.9Confident89Confident32 Ų3228.7 Ų28.720%0.19615%0.154CC..  trans-93.8157.6175.666.40000111.1F95 S96 Y97T93-F95 VanDerWaalsContact C-N 3.26Å; T93-F95 PolarHBondContact O-N 2.87Å; T93-S96 PolarHBondContact N-OG 3.28Å; T93-S96 PolarHBondContact O-N 3.19Å; T93-S96 PolarHBondContact O-OG 3.41Å; T93-S96 PolarHBondContact OG1-N 3.22Å; T93-S96 PolarHBondContact OG1-OG 2.87Å; T93-Y97 PolarHBondContact O-N 3.33Å
94P90.5Very high89.1Confident11 Ų1131.1 Ų31.17%0.07117%0.166CC..Hα-helixtrans-53-43.7174.9-23.930.8000112.6Y78 Y80 S96 Y97 Y98 L126Y78-P94 HydrophobicContact CD1-CB 4.19Å; Y78-P94 HydrophobicContact CD1-CG 3.93Å; Y78-P94 HydrophobicContact CD2-CB 4.4Å; Y78-P94 HydrophobicContact CE1-CB 4.36Å; Y78-P94 HydrophobicContact CE1-CG 3.67Å; Y78-P94 HydrophobicContact CE2-CG 4.38Å; Y78-P94 HydrophobicContact CG-CB 4.2Å; Y78-P94 HydrophobicContact CG-CG 4.4Å; Y80-P94 HydrophobicContact CE1-CB 4.2Å; Y80-P94 HydrophobicContact CE1-CG 3.73Å; P94-S96 PolarHBondContact O-N 3.23Å; P94-Y97 WeakPolarHBondContact O-CB 3.31Å; P94-Y97 PolarHBondContact O-N 2.85Å; P94-Y98 HydrophobicContact CB-CE2 4.28Å; P94-Y98 WeakPolarHBondContact O-CD2 3.35Å; P94-Y98 PolarHBondContact O-N 2.89Å; P94-L126 HydrophobicContact CB-CD1 3.84Å
95F91.1Very high89.2Confident30 Ų3028.9 Ų28.913%0.13215%0.154CC..Hα-helixtrans-55.8-50.5174.6178.9-105.2000112.1T93 Y97 Y98 T99 L127 P158 K160 P161T93-F95 VanDerWaalsContact C-N 3.26Å; T93-F95 PolarHBondContact O-N 2.87Å; F95-Y97 VanDerWaalsContact C-N 3.26Å; F95-Y97 PolarHBondContact O-N 3.48Å; F95-Y98 PolarHBondContact O-N 2.91Å; F95-T99 WeakPolarHBondContact O-CB 3.44Å; F95-T99 PolarHBondContact O-N 3.18Å; F95-T99 PolarHBondContact O-OG1 3.39Å; F95-T99 VanDerWaalsContact O-OG1 3.08Å; F95-L127 HydrophobicContact CD2-CD2 3.56Å; F95-L127 HydrophobicContact CE2-CD2 3.48Å; F95-L127 VanDerWaalsContact CE2-CD2 3.48Å; F95-L127 HydrophobicContact CZ-CD2 4.49Å; F95-P158 HydrophobicContact CE2-CB 4.27Å; F95-P158 HydrophobicContact CZ-CB 4.25Å; F95-P158 WeakPolarHBondContact CZ-O 3.5Å; F95-K160 WeakPolarHBondContact CE2-O 3.41Å; F95-K160 WeakPolarHBondContact CZ-O 3.34Å; F95-P161 HydrophobicContact CB-CB 4.45Å; F95-P161 HydrophobicContact CD2-CB 3.67Å; F95-P161 HydrophobicContact CD2-CG 4.48Å; F95-P161 VanDerWaalsContact CE2-CA 3.47Å; F95-P161 HydrophobicContact CE2-CB 4.12Å; F95-P161 VanDerWaalsContact CE2-N 3.34Å; F95-P161 HydrophobicContact CG-CB 4.11Å
96S91Very high89.3Confident51 Ų5128 Ų2836%0.35715%0.149SC..Hα-helixtrans-64-30.1179.169.40000113.7T93 P94 G100T93-S96 PolarHBondContact N-OG 3.28Å; T93-S96 PolarHBondContact O-N 3.19Å; T93-S96 PolarHBondContact O-OG 3.41Å; T93-S96 PolarHBondContact OG1-N 3.22Å; T93-S96 PolarHBondContact OG1-OG 2.87Å; P94-S96 PolarHBondContact O-N 3.23Å; S96-G100 PolarHBondContact O-N 2.82Å
97Y92.8Very high89.3Confident9 Ų932.6 Ų32.64%0.03517%0.174CC..Hα-helixtrans-70.4-50.5175.9173.6-98000111.4L68 S71 R72 M76 Y78 T93 P94 F95 G100 I101L68-Y97 HydrophobicContact CD2-CD2 4.36Å; L68-Y97 HydrophobicContact CD2-CE2 4.3Å; S71-Y97 VanDerWaalsContact C-OH 3.23Å; S71-Y97 VanDerWaalsContact CB-OH 3.28Å; S71-Y97 WeakPolarHBondContact CB-OH 3.31Å; S71-Y97 PolarHBondContact O-OH 2.68Å; R72-Y97 HydrophobicContact CB-CE2 4.12Å; R72-Y97 PolarHBondContact N-OH 2.89Å; M76-Y97 PolarHBondContact O-OH 3.15Å; Y78-Y97 AromaticContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD1 3.77Å; Y78-Y97 HydrophobicContact CD2-CD2 4.31Å; Y78-Y97 HydrophobicContact CD2-CE1 4.41Å; Y78-Y97 AromaticContact CD2-CG 3.71Å; Y78-Y97 HydrophobicContact CD2-CG 3.71Å; Y78-Y97 HydrophobicContact CE2-CG 4.47Å; Y78-Y97 HydrophobicContact CG-CD1 4.32Å; T93-Y97 PolarHBondContact O-N 3.33Å; P94-Y97 WeakPolarHBondContact O-CB 3.31Å; P94-Y97 PolarHBondContact O-N 2.85Å; F95-Y97 VanDerWaalsContact C-N 3.26Å; F95-Y97 PolarHBondContact O-N 3.48Å; Y97-G100 WeakPolarHBondContact O-CA 3.3Å; Y97-G100 PolarHBondContact O-N 3.11Å; Y97-G100 VanDerWaalsContact O-N 3.12Å; Y97-I101 HydrophobicContact CD1-CD1 4.04Å; Y97-I101 HydrophobicContact CE1-CD1 3.41Å; Y97-I101 VanDerWaalsContact CE1-CD1 3.41Å; Y97-I101 HydrophobicContact CE1-CG1 4.48Å; Y97-I101 HydrophobicContact CE2-CD1 4.42Å; Y97-I101 PolarHBondContact O-N 2.79Å
98Y93.5Very high89.4Confident0 Ų035.4 Ų35.40%019%0.194CC..Hα-helixtrans-70.4-35.3-179.9-64.5-58.2000113.5L77 Y78 P94 F95 G100 I101 M102 T119 D122 C123 L126L77-Y98 WeakPolarHBondContact CD1-OH 3.27Å; Y78-Y98 VanDerWaalsContact CB-OH 3.29Å; Y78-Y98 WeakPolarHBondContact CB-OH 3.48Å; Y78-Y98 PolarHBondContact N-OH 2.94Å; P94-Y98 HydrophobicContact CB-CE2 4.28Å; P94-Y98 WeakPolarHBondContact O-CD2 3.35Å; P94-Y98 PolarHBondContact O-N 2.89Å; F95-Y98 PolarHBondContact O-N 2.91Å; Y98-G100 PolarHBondContact O-N 3.38Å; Y98-I101 HydrophobicContact CD1-CD1 4.22Å; Y98-I101 PolarHBondContact O-N 3.03Å; Y98-M102 WeakPolarHBondContact O-CB 3.44Å; Y98-M102 PolarHBondContact O-N 3.49Å; Y98-T119 HydrophobicContact CD1-CG2 4.46Å; Y98-T119 HydrophobicContact CE1-CG2 4.03Å; Y98-D122 HydrophobicContact CE2-CB 4.09Å; Y98-D122 WeakPolarHBondContact CE2-OD2 3.42Å; Y98-D122 PolarHBondContact OH-OD2 2.99Å; Y98-C123 VanDerWaalsContact CD1-SG 3.56Å; Y98-L126 HydrophobicContact CD2-CD1 3.61Å; Y98-L126 HydrophobicContact CE2-CD1 3.65Å
99T92Very high89.5Confident21 Ų2136.1 Ų36.113%0.12920%0.199CC..Hα-helixtrans-59.6-36.5169.3-61.70000110.9F95 E103 L127 L157F95-T99 WeakPolarHBondContact O-CB 3.44Å; F95-T99 PolarHBondContact O-N 3.18Å; F95-T99 PolarHBondContact O-OG1 3.39Å; F95-T99 VanDerWaalsContact O-OG1 3.08Å; T99-E103 VanDerWaalsContact O-CB 3.32Å; T99-E103 WeakPolarHBondContact O-CB 3.25Å; T99-E103 PolarHBondContact O-N 2.64Å; T99-L127 WeakPolarHBondContact OG1-CD2 3.4Å; T99-L157 HydrophobicContact CG2-CB 4.23Å; T99-L157 HydrophobicContact CG2-CD1 4.01Å
100G91.5Very high89.7Confident4 Ų438.8 Ų38.84%0.04120%0.199CC..Hα-helixtrans-66.9-43.5172.900000114R72 S96 Y97 Y98 M102 E103 D104R72-G100 VanDerWaalsContact CZ-C 3.49Å; R72-G100 VanDerWaalsContact CZ-O 3.3Å; R72-G100 PolarHBondContact NH2-O 2.86Å; R72-G100 VanDerWaalsContact NH2-O 3.09Å; S96-G100 PolarHBondContact O-N 2.82Å; Y97-G100 WeakPolarHBondContact O-CA 3.3Å; Y97-G100 PolarHBondContact O-N 3.11Å; Y97-G100 VanDerWaalsContact O-N 3.12Å; Y98-G100 PolarHBondContact O-N 3.38Å; G100-M102 VanDerWaalsContact C-N 3.35Å; G100-E103 PolarHBondContact O-N 2.83Å; G100-D104 PolarHBondContact O-N 3.37Å; G100-D104 VanDerWaalsContact O-N 3.12Å
101I91.5Very high89.9Confident1 Ų140.9 Ų40.91%0.00522%0.215CC..Hα-helixtrans-59-47.6172.4-78.2175.5000110.4R72 L75 Y97 Y98 E103 D104 I105 L115R72-I101 HydrophobicContact CB-CG1 4.35Å; R72-I101 HydrophobicContact CG-CG1 3.94Å; L75-I101 HydrophobicContact CD2-CG2 3.89Å; Y97-I101 HydrophobicContact CD1-CD1 4.04Å; Y97-I101 HydrophobicContact CE1-CD1 3.41Å; Y97-I101 VanDerWaalsContact CE1-CD1 3.41Å; Y97-I101 HydrophobicContact CE1-CG1 4.48Å; Y97-I101 HydrophobicContact CE2-CD1 4.42Å; Y97-I101 PolarHBondContact O-N 2.79Å; Y98-I101 HydrophobicContact CD1-CD1 4.22Å; Y98-I101 PolarHBondContact O-N 3.03Å; I101-E103 VanDerWaalsContact C-N 3.35Å; I101-E103 PolarHBondContact O-N 2.82Å; I101-D104 PolarHBondContact O-N 2.92Å; I101-D104 VanDerWaalsContact O-N 3.15Å; I101-I105 HydrophobicContact CG2-CD1 3.64Å; I101-I105 HydrophobicContact CG2-CG1 4.29Å; I101-I105 WeakPolarHBondContact O-CG1 3.27Å; I101-I105 PolarHBondContact O-N 2.87Å; I101-L115 HydrophobicContact CG2-CD2 3.91Å
102M90.9Very high90Very high0 Ų035.1 Ų35.10%019%0.194CC..Hα-helixtrans-65.8-38.2-178.3-156.865.270.100111.7Y98 G100 D104 I105 M106 Y112 L115 C123 L127 I129 Y134 L157Y98-M102 WeakPolarHBondContact O-CB 3.44Å; Y98-M102 PolarHBondContact O-N 3.49Å; G100-M102 VanDerWaalsContact C-N 3.35Å; M102-D104 VanDerWaalsContact C-N 3.33Å; M102-D104 PolarHBondContact O-N 2.6Å; M102-I105 PolarHBondContact O-N 3.01Å; M102-M106 WeakPolarHBondContact O-CB 3.23Å; M102-M106 VanDerWaalsContact O-CG 3.25Å; M102-M106 WeakPolarHBondContact O-CG 3.03Å; M102-M106 PolarHBondContact O-N 3.02Å; M102-Y112 HydrophobicContact CE-CE2 4.12Å; M102-L115 HydrophobicContact CE-CD1 4.29Å; M102-C123 HydrophobicContact CE-CB 4.23Å; M102-L127 HydrophobicContact CB-CD1 4.33Å; M102-L127 HydrophobicContact CE-CD1 4.13Å; M102-I129 HydrophobicContact CE-CB 4.37Å; M102-I129 HydrophobicContact CE-CG2 4.18Å; M102-I129 HydrophobicContact CG-CD1 4.11Å; M102-Y134 HydrophobicContact CG-CD2 4.48Å; M102-Y134 HydrophobicContact SD-CD2 3.51Å; M102-Y134 VanDerWaalsContact SD-CD2 3.51Å; M102-Y134 HydrophobicContact SD-CE2 3.73Å; M102-L157 HydrophobicContact CB-CD1 4.16Å; M102-L157 HydrophobicContact CB-CD2 3.93Å; M102-L157 HydrophobicContact CG-CD2 3.54Å
103E90.9Very high89.9Confident36 Ų3634.5 Ų34.517%0.16819%0.191CC..Hα-helixtrans-56.8-43.7171.5179.9169.2-151.900111.4T99 G100 I101 N107 R154 L157T99-E103 VanDerWaalsContact O-CB 3.32Å; T99-E103 WeakPolarHBondContact O-CB 3.25Å; T99-E103 PolarHBondContact O-N 2.64Å; G100-E103 PolarHBondContact O-N 2.83Å; I101-E103 VanDerWaalsContact C-N 3.35Å; I101-E103 PolarHBondContact O-N 2.82Å; E103-N107 WeakPolarHBondContact CG-ND2 3.48Å; E103-N107 VanDerWaalsContact O-CB 3.22Å; E103-N107 WeakPolarHBondContact O-CB 2.89Å; E103-N107 PolarHBondContact O-N 3.21Å; E103-N107 PolarHBondContact O-ND2 2.86Å; E103-R154 WeakPolarHBondContact OE1-CD 3.25Å; E103-R154 IonicContact OE2-NH1 3.91Å; E103-R154 PolarHBondContact OE2-NH1 3.07Å; E103-L157 HydrophobicContact CB-CD1 4.06Å
104D90.1Very high89.8Confident58 Ų5834.3 Ų34.331%0.3119%0.191SC..Hα-helixtrans-72.7-40.8179.8-68.1-10.9000113.5R72 G100 I101 M102 M106 N107 S108R72-D104 IonicContact CZ-OD1 3.92Å; R72-D104 IonicContact CZ-OD2 3.35Å; R72-D104 VanDerWaalsContact CZ-OD2 3.24Å; R72-D104 IonicContact NE-OD1 3.65Å; R72-D104 IonicContact NE-OD2 3.7Å; R72-D104 PolarHBondContact NE-OD2 3.04Å; R72-D104 IonicContact NH2-OD1 3.54Å; R72-D104 PolarHBondContact NH2-OD1 2.77Å; R72-D104 IonicContact NH2-OD2 2.71Å; R72-D104 PolarHBondContact NH2-OD2 2.95Å; G100-D104 PolarHBondContact O-N 3.37Å; G100-D104 VanDerWaalsContact O-N 3.12Å; I101-D104 PolarHBondContact O-N 2.92Å; I101-D104 VanDerWaalsContact O-N 3.15Å; M102-D104 VanDerWaalsContact C-N 3.33Å; M102-D104 PolarHBondContact O-N 2.6Å; D104-M106 VanDerWaalsContact C-N 3.35Å; D104-N107 PolarHBondContact O-N 3.38Å; D104-S108 WeakPolarHBondContact O-CB 3.46Å; D104-S108 PolarHBondContact O-N 3.4Å; D104-S108 PolarHBondContact O-OG 3.16Å
105I90.2Very high89.7Confident2 Ų233.8 Ų33.81%0.0119%0.188CC..Hα-helixtrans-63.6-43.4176.3-62.2172.3000109.6L75 I101 M102 S108 E109 K110 L115 Y134L75-I105 HydrophobicContact CD1-CD1 4.25Å; L75-I105 HydrophobicContact CD2-CD1 3.88Å; L75-I105 HydrophobicContact CD2-CG1 3.97Å; I101-I105 HydrophobicContact CG2-CD1 3.64Å; I101-I105 HydrophobicContact CG2-CG1 4.29Å; I101-I105 WeakPolarHBondContact O-CG1 3.27Å; I101-I105 PolarHBondContact O-N 2.87Å; M102-I105 PolarHBondContact O-N 3.01Å; I105-S108 PolarHBondContact O-N 3.15Å; I105-S108 PolarHBondContact O-OG 3.34Å; I105-E109 PolarHBondContact O-N 2.95Å; I105-E109 VanDerWaalsContact O-N 3.11Å; I105-K110 HydrophobicContact CG2-CB 3.67Å; I105-K110 PolarHBondContact O-N 3.3Å; I105-K110 VanDerWaalsContact O-N 3.1Å; I105-L115 HydrophobicContact CD1-CD1 4.23Å; I105-L115 HydrophobicContact CD1-CD2 3.48Å; I105-L115 VanDerWaalsContact CD1-CD2 3.48Å; I105-L115 HydrophobicContact CD1-CG 3.74Å; I105-Y134 HydrophobicContact CG2-CE2 4.11Å; I105-Y134 VanDerWaalsContact CG2-OH 3.29Å; I105-Y134 WeakPolarHBondContact CG2-OH 3.47Å; I105-Y134 PolarHBondContact O-OH 3.2Å
106M88.4Confident89.6Confident5 Ų532.5 Ų32.53%0.02518%0.182CC..Hα-helixtrans-64.2-45.1175-71.4-17677.500112.3M102 D104 S108 E109 Y134 L137 M138 C141 A153 L156 L157M102-M106 WeakPolarHBondContact O-CB 3.23Å; M102-M106 VanDerWaalsContact O-CG 3.25Å; M102-M106 WeakPolarHBondContact O-CG 3.03Å; M102-M106 PolarHBondContact O-N 3.02Å; D104-M106 VanDerWaalsContact C-N 3.35Å; M106-S108 VanDerWaalsContact C-N 3.29Å; M106-S108 PolarHBondContact O-N 3.06Å; M106-E109 PolarHBondContact O-N 3.05Å; M106-Y134 HydrophobicContact CG-CD2 4.38Å; M106-Y134 HydrophobicContact CG-CE2 3.54Å; M106-L137 HydrophobicContact CE-CB 4.01Å; M106-M138 HydrophobicContact CB-CE 4.35Å; M106-M138 HydrophobicContact CG-CE 4.42Å; M106-C141 HydrophobicContact CE-CB 4.19Å; M106-A153 HydrophobicContact CB-CB 3.71Å; M106-A153 HydrophobicContact CE-CB 4.27Å; M106-A153 HydrophobicContact CG-CB 4.46Å; M106-A153 HydrophobicContact SD-CB 4.01Å; M106-L156 HydrophobicContact CE-CD1 4.45Å; M106-L157 HydrophobicContact SD-CD2 3.99Å; M106-L157 HydrophobicContact SD-CG 4.3Å
107N88.7Confident89.4Confident98 Ų9830.6 Ų30.652%0.52417%0.168SC..Hα-helixtrans-69.1-25179.8-74.5-33.2000113.3E103 D104E103-N107 WeakPolarHBondContact CG-ND2 3.48Å; E103-N107 VanDerWaalsContact O-CB 3.22Å; E103-N107 WeakPolarHBondContact O-CB 2.89Å; E103-N107 PolarHBondContact O-N 3.21Å; E103-N107 PolarHBondContact O-ND2 2.86Å; D104-N107 PolarHBondContact O-N 3.38Å
108S88.1Confident89.3Confident62 Ų6230.3 Ų30.343%0.43417%0.167SC..THydrogen-bonded Turntrans-94.35.8173.658.40000114D104 I105 M106 K110D104-S108 WeakPolarHBondContact O-CB 3.46Å; D104-S108 PolarHBondContact O-N 3.4Å; D104-S108 PolarHBondContact O-OG 3.16Å; I105-S108 PolarHBondContact O-N 3.15Å; I105-S108 PolarHBondContact O-OG 3.34Å; M106-S108 VanDerWaalsContact C-N 3.29Å; M106-S108 PolarHBondContact O-N 3.06Å; S108-K110 PolarHBondContact O-N 3.29Å; S108-K110 VanDerWaalsContact O-N 3.12Å
109E85.5Confident89.1Confident96 Ų9630.4 Ų30.445%0.44917%0.168SC..THydrogen-bonded Turntrans50.629.3-179.2-57.9-160-156.700114.9I105 M106 R142I105-E109 PolarHBondContact O-N 2.95Å; I105-E109 VanDerWaalsContact O-N 3.11Å; M106-E109 PolarHBondContact O-N 3.05Å; E109-R142 IonicContact OE2-CZ 2.67Å; E109-R142 IonicContact OE2-NE 2.65Å; E109-R142 PolarHBondContact OE2-NE 3.16Å; E109-R142 IonicContact OE2-NH2 2.7Å; E109-R142 PolarHBondContact OE2-NH2 2.78Å
110K87.8Confident89Confident97 Ų9729.4 Ų29.442%0.42216%0.161SC..  trans-71.1159.1175.8-72.1177.5-176.9179.70111.9I105 S108 Y134I105-K110 HydrophobicContact CG2-CB 3.67Å; I105-K110 PolarHBondContact O-N 3.3Å; I105-K110 VanDerWaalsContact O-N 3.1Å; S108-K110 PolarHBondContact O-N 3.29Å; S108-K110 VanDerWaalsContact O-N 3.12Å; K110-Y134 WeakPolarHBondContact O-CE1 3.12Å; K110-Y134 PolarHBondContact O-OH 3.17Å
111S87.8Confident88.9Confident67 Ų6729.7 Ų29.747%0.46916%0.163SC..  trans-75.7149.8170.952.30000111.9D113 S114S111-D113 PolarHBondContact O-N 3.14Å; S111-S114 WeakPolarHBondContact O-CB 3.31Å; S111-S114 PolarHBondContact O-N 3.01Å; S111-S114 PolarHBondContact O-OG 3.23Å
112Y88.7Confident88.8Confident2 Ų229.6 Ų29.61%0.00816%0.163CC..G310 helixtrans-57.5-37.1170.3-171.5-89.6000111.6M102 S114 L115 A120 I129 R131 Y134 V242 N244M102-Y112 HydrophobicContact CE-CE2 4.12Å; Y112-S114 PolarHBondContact O-N 2.94Å; Y112-L115 HydrophobicContact CD2-CD1 3.92Å; Y112-L115 HydrophobicContact CE1-CD1 4.39Å; Y112-L115 HydrophobicContact CE2-CD1 3.76Å; Y112-L115 HydrophobicContact CG-CD1 4.32Å; Y112-L115 WeakPolarHBondContact O-CB 3.5Å; Y112-L115 PolarHBondContact O-N 3.35Å; Y112-A120 HydrophobicContact CE1-CB 3.99Å; Y112-A120 PolarHBondContact OH-O 3.02Å; Y112-I129 HydrophobicContact CE2-CG2 4.41Å; Y112-I129 PolarHBondContact OH-O 3.12Å; Y112-I129 VanDerWaalsContact OH-O 3.11Å; Y112-R131 HydrophobicContact CD1-CB 3.86Å; Y112-R131 HydrophobicContact CD1-CG 4.18Å; Y112-R131 HydrophobicContact CE1-CB 4.27Å; Y112-R131 HydrophobicContact CG-CB 4.32Å; Y112-R131 HydrophobicContact CG-CG 4.48Å; Y112-Y134 HydrophobicContact CD2-CD1 4.4Å; Y112-Y134 HydrophobicContact CD2-CD2 4.14Å; Y112-Y134 AromaticContact CD2-CG 3.78Å; Y112-Y134 HydrophobicContact CD2-CG 3.78Å; Y112-Y134 HydrophobicContact CG-CG 4.35Å; Y112-V242 HydrophobicContact CE1-CG1 4Å; Y112-N244 PolarHBondContact O-ND2 3.39Å
113D86.6Confident88.8Confident42 Ų4229.6 Ų29.623%0.22516%0.163CC..G310 helixtrans-57.3-7.7177-51.422.3000114.4S111 R131 V246S111-D113 PolarHBondContact O-N 3.14Å; D113-R131 IonicContact OD1-CZ 3.34Å; D113-R131 IonicContact OD1-NE 2.78Å; D113-R131 PolarHBondContact OD1-NE 3.02Å; D113-R131 IonicContact OD1-NH2 2.7Å; D113-R131 PolarHBondContact OD1-NH2 3.13Å; D113-R131 IonicContact OD2-CZ 3.03Å; D113-R131 IonicContact OD2-NE 3.49Å; D113-R131 PolarHBondContact OD2-NE 3.5Å; D113-R131 IonicContact OD2-NH2 3.52Å; D113-R131 PolarHBondContact OD2-NH2 3.38Å; D113-V246 WeakPolarHBondContact O-CG2 3.37Å
114S87.6Confident88.7Confident29 Ų2930.8 Ų30.820%0.20317%0.17CC..G310 helixtrans-87.1-9.7172.968.40000114.5L75 S111 Y112L75-S114 WeakPolarHBondContact CD1-O 3.23Å; S111-S114 WeakPolarHBondContact O-CB 3.31Å; S111-S114 PolarHBondContact O-N 3.01Å; S111-S114 PolarHBondContact O-OG 3.23Å; Y112-S114 PolarHBondContact O-N 2.94Å
115L88.4Confident88.6Confident0 Ų030.4 Ų30.40%017%0.165CC..SBendtrans-73.7137.4171.1-74.1165.1000110.7L75 I101 M102 I105 Y112 T119 A120 N244L75-L115 HydrophobicContact CB-CD2 4.41Å; L75-L115 HydrophobicContact CD1-CD2 4.44Å; I101-L115 HydrophobicContact CG2-CD2 3.91Å; M102-L115 HydrophobicContact CE-CD1 4.29Å; I105-L115 HydrophobicContact CD1-CD1 4.23Å; I105-L115 HydrophobicContact CD1-CD2 3.48Å; I105-L115 VanDerWaalsContact CD1-CD2 3.48Å; I105-L115 HydrophobicContact CD1-CG 3.74Å; Y112-L115 HydrophobicContact CD2-CD1 3.92Å; Y112-L115 HydrophobicContact CE1-CD1 4.39Å; Y112-L115 HydrophobicContact CE2-CD1 3.76Å; Y112-L115 HydrophobicContact CG-CD1 4.32Å; Y112-L115 WeakPolarHBondContact O-CB 3.5Å; Y112-L115 PolarHBondContact O-N 3.35Å; L115-T119 HydrophobicContact CD2-CG2 3.85Å; L115-A120 HydrophobicContact CB-CB 3.96Å; L115-A120 HydrophobicContact CD1-CB 4.37Å; L115-N244 VanDerWaalsContact O-CB 3.3Å; L115-N244 WeakPolarHBondContact O-CB 3.45Å; L115-N244 PolarHBondContact O-ND2 2.62Å
116P89.3Confident88.5Confident3 Ų330.3 Ų30.32%0.01916%0.164CC..  trans-55.3154.1164.8-25.736.2000112.2L75 F118 T119 A120 E252L75-P116 HydrophobicContact CB-CG 4.46Å; L75-P116 WeakPolarHBondContact O-CD 3.45Å; L75-P116 WeakPolarHBondContact O-CG 3.26Å; P116-F118 PolarHBondContact O-N 2.7Å; P116-T119 PolarHBondContact O-N 2.82Å; P116-A120 WeakPolarHBondContact O-CB 3.29Å; P116-A120 PolarHBondContact O-N 2.89Å; P116-E252 WeakPolarHBondContact CB-OE1 3.32Å
117N88.1Confident88.5Confident11 Ų1130.4 Ų30.46%0.05917%0.165CC..Hα-helixtrans-64.8-46.7-170-71.7-7000111.9A120 A121 F241 N244 E252 Y256N117-A120 PolarHBondContact O-N 2.72Å; N117-A121 WeakPolarHBondContact O-CB 3.49Å; N117-A121 PolarHBondContact O-N 3.39Å; N117-F241 HydrophobicContact CB-CE1 4.31Å; N117-F241 HydrophobicContact CB-CZ 4.24Å; N117-N244 VanDerWaalsContact OD1-CA 3.31Å; N117-N244 WeakPolarHBondContact OD1-CA 3.42Å; N117-N244 VanDerWaalsContact OD1-CB 3.29Å; N117-N244 WeakPolarHBondContact OD1-CB 3.26Å; N117-N244 PolarHBondContact OD1-N 3.45Å; N117-N244 PolarHBondContact OD1-O 3.34Å; N117-E252 PolarHBondContact N-OE1 3.42Å; N117-Y256 PolarHBondContact ND2-OH 3.03Å
118F88.9Confident88.4Confident2 Ų227.3 Ų27.31%0.00916%0.155CC..Hα-helixtrans-70.2-34.2177.5-61.7-81.2000112.5L77 P116 A121 D122 F241 E252 L255 Y256 F259 Y289 L292 F294L77-F118 HydrophobicContact CD1-CB 4.26Å; L77-F118 WeakPolarHBondContact CD1-O 3.27Å; L77-F118 HydrophobicContact CD2-CB 4.49Å; P116-F118 PolarHBondContact O-N 2.7Å; F118-A121 PolarHBondContact O-N 2.91Å; F118-D122 PolarHBondContact O-N 3.11Å; F118-F241 HydrophobicContact CE1-CE2 4.35Å; F118-E252 HydrophobicContact CD2-CB 4.27Å; F118-E252 HydrophobicContact CD2-CG 3.82Å; F118-E252 HydrophobicContact CE2-CG 4.05Å; F118-L255 HydrophobicContact CB-CD1 4.15Å; F118-L255 HydrophobicContact CD1-CD1 3.87Å; F118-L255 HydrophobicContact CD2-CB 4.28Å; F118-L255 HydrophobicContact CD2-CD1 3.6Å; F118-L255 HydrophobicContact CE1-CB 4.35Å; F118-L255 HydrophobicContact CE1-CD1 4.15Å; F118-L255 HydrophobicContact CE2-CB 3.7Å; F118-L255 HydrophobicContact CE2-CD1 3.9Å; F118-L255 HydrophobicContact CE2-CG 4.45Å; F118-L255 HydrophobicContact CG-CD1 3.58Å; F118-L255 HydrophobicContact CZ-CB 3.74Å; F118-L255 HydrophobicContact CZ-CD1 4.17Å; F118-Y256 HydrophobicContact CE2-CD2 4.01Å; F118-Y256 AromaticContact CE2-CE2 3.65Å; F118-Y256 HydrophobicContact CE2-CE2 3.65Å; F118-Y256 AromaticContact CE2-CZ 3.99Å; F118-Y256 HydrophobicContact CZ-CE2 4.41Å; F118-F259 AromaticContact CE1-CE2 3.72Å; F118-F259 HydrophobicContact CE1-CE2 3.72Å; F118-F259 HydrophobicContact CE1-CZ 4.01Å; F118-F259 HydrophobicContact CZ-CD2 4.08Å; F118-F259 AromaticContact CZ-CE2 3.59Å; F118-F259 HydrophobicContact CZ-CE2 3.59Å; F118-F259 HydrophobicContact CZ-CZ 4.31Å; F118-Y289 AromaticContact CE1-CE1 3.99Å; F118-Y289 HydrophobicContact CE1-CE1 3.99Å; F118-Y289 HydrophobicContact CZ-CE1 4.43Å; F118-L292 HydrophobicContact CD1-CD1 3.97Å; F118-F294 HydrophobicContact CD1-CD2 4.39Å; F118-F294 AromaticContact CD1-CE2 3.98Å; F118-F294 HydrophobicContact CD1-CE2 3.98Å; F118-F294 HydrophobicContact CE1-CD2 4.17Å; F118-F294 HydrophobicContact CE1-CE2 4.06Å
119T90.3Very high88.3Confident2 Ų224.6 Ų24.61%0.01214%0.136CC..Hα-helixtrans-63.2-44.1172.3-55.30000110.6L75 L77 Y98 L115 P116 D122 C123L75-T119 WeakPolarHBondContact O-CG2 3.35Å; L75-T119 PolarHBondContact O-OG1 2.86Å; L77-T119 PolarHBondContact N-OG1 2.95Å; Y98-T119 HydrophobicContact CD1-CG2 4.46Å; Y98-T119 HydrophobicContact CE1-CG2 4.03Å; L115-T119 HydrophobicContact CD2-CG2 3.85Å; P116-T119 PolarHBondContact O-N 2.82Å; T119-D122 PolarHBondContact O-N 3.34Å; T119-C123 WeakPolarHBondContact O-CB 3.35Å; T119-C123 PolarHBondContact O-N 3.48Å; T119-C123 PolarHBondContact O-SG 2.68Å; T119-C123 VanDerWaalsContact O-SG 3.35Å
120A89.8Confident88.4Confident0 Ų020.4 Ų20.40%012%0.119CC..Hα-helixtrans-67-37.3178.900000112.3Y112 L115 P116 N117 L124 V242Y112-A120 HydrophobicContact CE1-CB 3.99Å; Y112-A120 PolarHBondContact OH-O 3.02Å; L115-A120 HydrophobicContact CB-CB 3.96Å; L115-A120 HydrophobicContact CD1-CB 4.37Å; P116-A120 WeakPolarHBondContact O-CB 3.29Å; P116-A120 PolarHBondContact O-N 2.89Å; N117-A120 PolarHBondContact O-N 2.72Å; A120-L124 WeakPolarHBondContact O-CB 3.41Å; A120-L124 PolarHBondContact O-N 2.95Å; A120-V242 HydrophobicContact CB-CB 4.23Å; A120-V242 HydrophobicContact CB-CG1 3.63Å
121A88.8Confident88.3Confident10 Ų1021.6 Ų21.68%0.08312%0.121CC..Hα-helixtrans-63.5-43.6172.500000112.4N117 F118 L124 R125 L292 F294N117-A121 WeakPolarHBondContact O-CB 3.49Å; N117-A121 PolarHBondContact O-N 3.39Å; F118-A121 PolarHBondContact O-N 2.91Å; A121-L124 PolarHBondContact O-N 3.37Å; A121-R125 WeakPolarHBondContact O-CB 3.31Å; A121-R125 PolarHBondContact O-N 3.23Å; A121-L292 HydrophobicContact CB-CD2 4.5Å; A121-F294 HydrophobicContact CB-CE2 4.26Å; A121-F294 HydrophobicContact CB-CZ 3.8Å
122D90.1Very high88.3Confident0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-72.2-34.3178.6-152.425.2000112.3L77 Y80 Y98 F118 T119 R125 L126 L292L77-D122 HydrophobicContact CD1-CB 4.12Å; Y80-D122 WeakPolarHBondContact CE2-OD2 3.39Å; Y80-D122 VanDerWaalsContact CZ-OD2 3.31Å; Y80-D122 PolarHBondContact OH-OD1 3.23Å; Y80-D122 PolarHBondContact OH-OD2 2.95Å; Y98-D122 HydrophobicContact CE2-CB 4.09Å; Y98-D122 WeakPolarHBondContact CE2-OD2 3.42Å; Y98-D122 PolarHBondContact OH-OD2 2.99Å; F118-D122 PolarHBondContact O-N 3.11Å; T119-D122 PolarHBondContact O-N 3.34Å; D122-R125 PolarHBondContact O-N 3.18Å; D122-R125 IonicContact OD1-CZ 2.6Å; D122-R125 IonicContact OD1-NE 2.78Å; D122-R125 PolarHBondContact OD1-NE 3.1Å; D122-R125 IonicContact OD1-NH2 3.79Å; D122-R125 PolarHBondContact OD1-NH2 3.4Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 3.43Å; D122-L292 HydrophobicContact CB-CD2 3.82Å
123C89.9Confident88.3Confident0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-58.8-46.6167.8-80.80000111.9Y98 M102 T119 L127Y98-C123 VanDerWaalsContact CD1-SG 3.56Å; M102-C123 HydrophobicContact CE-CB 4.23Å; T119-C123 WeakPolarHBondContact O-CB 3.35Å; T119-C123 PolarHBondContact O-N 3.48Å; T119-C123 PolarHBondContact O-SG 2.68Å; T119-C123 VanDerWaalsContact O-SG 3.35Å; C123-L127 WeakPolarHBondContact O-CA 3.48Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 WeakPolarHBondContact O-CG 3.36Å; C123-L127 PolarHBondContact O-N 3.04Å
124L89.4Confident88.4Confident61 Ų6125.7 Ų25.732%0.31913%0.134SC..Hα-helixtrans-61.9-45.6175.9176.760.2000111A120 A121 L126 G128 V242A120-L124 WeakPolarHBondContact O-CB 3.41Å; A120-L124 PolarHBondContact O-N 2.95Å; A121-L124 PolarHBondContact O-N 3.37Å; L124-L126 PolarHBondContact O-N 2.87Å; L124-G128 VanDerWaalsContact O-CA 3.23Å; L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.39Å; L124-V242 HydrophobicContact CD2-CG2 3.77Å
125R87.5Confident88.4Confident50 Ų5027.8 Ų27.819%0.18914%0.142CC..Hα-helixtrans-63.4-35.7-179.5-168.9-174.769.687.16.3114Y80 A121 D122 I164 R291Y80-R125 PolarHBondContact OH-NH2 3.3Å; Y80-R125 VanDerWaalsContact OH-NH2 3.13Å; A121-R125 WeakPolarHBondContact O-CB 3.31Å; A121-R125 PolarHBondContact O-N 3.23Å; D122-R125 PolarHBondContact O-N 3.18Å; D122-R125 IonicContact OD1-CZ 2.6Å; D122-R125 IonicContact OD1-NE 2.78Å; D122-R125 PolarHBondContact OD1-NE 3.1Å; D122-R125 IonicContact OD1-NH2 3.79Å; D122-R125 PolarHBondContact OD1-NH2 3.4Å; R125-I164 HydrophobicContact CG-CG2 4.46Å; R125-R291 VanDerWaalsContact CD-O 3.23Å; R125-R291 WeakPolarHBondContact CD-O 3.49Å; R125-R291 PolarHBondContact NE-O 3.11Å; R125-R291 PolarHBondContact NH1-O 2.86Å
126L88.4Confident88.4Confident0 Ų032.1 Ų32.10%017%0.165CC..Hα-helixtrans-99.9-33.3-175.7-71.8169.8000114.5P94 Y98 D122 L124 P161 V162 I164P94-L126 HydrophobicContact CB-CD1 3.84Å; Y98-L126 HydrophobicContact CD2-CD1 3.61Å; Y98-L126 HydrophobicContact CE2-CD1 3.65Å; D122-L126 WeakPolarHBondContact O-CB 3.4Å; D122-L126 PolarHBondContact O-N 3.43Å; L124-L126 PolarHBondContact O-N 2.87Å; L126-P161 WeakPolarHBondContact O-CA 3.33Å; L126-V162 PolarHBondContact O-N 2.87Å; L126-I164 HydrophobicContact CD2-CG2 3.95Å
127L89.1Confident88.3Confident7 Ų733.3 Ų33.34%0.03717%0.171CC..Hα-helixtrans-103.7-19.4-177.1-49.8-178.3000113F95 T99 M102 C123 I129 P158F95-L127 HydrophobicContact CD2-CD2 3.56Å; F95-L127 HydrophobicContact CE2-CD2 3.48Å; F95-L127 VanDerWaalsContact CE2-CD2 3.48Å; F95-L127 HydrophobicContact CZ-CD2 4.49Å; T99-L127 WeakPolarHBondContact OG1-CD2 3.4Å; M102-L127 HydrophobicContact CB-CD1 4.33Å; M102-L127 HydrophobicContact CE-CD1 4.13Å; C123-L127 WeakPolarHBondContact O-CA 3.48Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 WeakPolarHBondContact O-CG 3.36Å; C123-L127 PolarHBondContact O-N 3.04Å; L127-I129 HydrophobicContact CB-CB 4.3Å; L127-I129 HydrophobicContact CB-CD1 4.02Å; L127-I129 HydrophobicContact CB-CG1 3.9Å; L127-I129 HydrophobicContact CD1-CD1 4.18Å; L127-I129 PolarHBondContact O-N 2.82Å; L127-P158 HydrophobicContact CB-CG 4.34Å; L127-P158 VanDerWaalsContact O-CG 3.3Å; L127-P158 WeakPolarHBondContact O-CG 3.5Å
128G86.8Confident88.2Confident32 Ų3233.2 Ų33.233%0.3317%0.171SC..  trans70.99.3-170.300000114L124 G130L124-G128 VanDerWaalsContact O-CA 3.23Å; L124-G128 WeakPolarHBondContact O-CA 3.49Å; L124-G128 PolarHBondContact O-N 3.39Å; G128-G130 PolarHBondContact O-N 3.4Å
129I86.3Confident88.1Confident5 Ų537 Ų373%0.02619%0.191CC..  trans-93.899.5-178.3-56.4174.9000108.9M102 Y112 L127 Q133 L137 L157 P158M102-I129 HydrophobicContact CE-CB 4.37Å; M102-I129 HydrophobicContact CE-CG2 4.18Å; M102-I129 HydrophobicContact CG-CD1 4.11Å; Y112-I129 HydrophobicContact CE2-CG2 4.41Å; Y112-I129 PolarHBondContact OH-O 3.12Å; Y112-I129 VanDerWaalsContact OH-O 3.11Å; L127-I129 HydrophobicContact CB-CB 4.3Å; L127-I129 HydrophobicContact CB-CD1 4.02Å; L127-I129 HydrophobicContact CB-CG1 3.9Å; L127-I129 HydrophobicContact CD1-CD1 4.18Å; L127-I129 PolarHBondContact O-N 2.82Å; I129-Q133 HydrophobicContact CG2-CB 4.33Å; I129-L137 HydrophobicContact CD1-CD1 3.9Å; I129-L137 HydrophobicContact CG1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 4.28Å; I129-L157 HydrophobicContact CD1-CD2 3.48Å; I129-L157 VanDerWaalsContact CD1-CD2 3.48Å; I129-P158 HydrophobicContact CD1-CG 4.34Å; I129-P158 HydrophobicContact CG1-CG 4.5Å
130G87.3Confident87.8Confident8 Ų841.5 Ų41.58%0.08221%0.212CC..  trans-87.2-179.1162.900000112.2G128 N132 Q133 Y134G128-G130 PolarHBondContact O-N 3.4Å; G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.21Å; G130-Q133 VanDerWaalsContact C-OE1 3.3Å; G130-Q133 PolarHBondContact O-N 3.06Å; G130-Q133 PolarHBondContact O-OE1 2.98Å; G130-Y134 PolarHBondContact O-N 3.35Å
131R85.8Confident87.4Confident123 Ų12342 Ų4246%0.46422%0.215SC..Hα-helixtrans-53.4-44.4-177.9-171.6179.3-171-121.18.7113.5Y112 D113 Y134 I135Y112-R131 HydrophobicContact CD1-CB 3.86Å; Y112-R131 HydrophobicContact CD1-CG 4.18Å; Y112-R131 HydrophobicContact CE1-CB 4.27Å; Y112-R131 HydrophobicContact CG-CB 4.32Å; Y112-R131 HydrophobicContact CG-CG 4.48Å; D113-R131 IonicContact OD1-CZ 3.34Å; D113-R131 IonicContact OD1-NE 2.78Å; D113-R131 PolarHBondContact OD1-NE 3.02Å; D113-R131 IonicContact OD1-NH2 2.7Å; D113-R131 PolarHBondContact OD1-NH2 3.13Å; D113-R131 IonicContact OD2-CZ 3.03Å; D113-R131 IonicContact OD2-NE 3.49Å; D113-R131 PolarHBondContact OD2-NE 3.5Å; D113-R131 IonicContact OD2-NH2 3.52Å; D113-R131 PolarHBondContact OD2-NH2 3.38Å; R131-Y134 PolarHBondContact O-N 3.01Å; R131-I135 HydrophobicContact CG-CD1 4.34Å; R131-I135 WeakPolarHBondContact O-CD1 3.29Å; R131-I135 VanDerWaalsContact O-CG1 3.32Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.49Å; R131-I135 VanDerWaalsContact O-N 3.13Å
132N87.2Confident87Confident96 Ų9647 Ų4751%0.51323%0.232SC..Hα-helixtrans-71.4-45.7-178.3-64.81000110.9G130 Y134 I135 D136G130-N132 VanDerWaalsContact C-N 3.33Å; G130-N132 PolarHBondContact O-N 3.21Å; N132-Y134 VanDerWaalsContact C-N 3.26Å; N132-Y134 PolarHBondContact O-N 3.4Å; N132-I135 WeakPolarHBondContact O-CB 3.47Å; N132-I135 PolarHBondContact O-N 3.18Å; N132-D136 PolarHBondContact O-N 2.91Å
133Q87.9Confident86.2Confident94 Ų9450.9 Ų50.944%0.43926%0.259SS..Hα-helixtrans-58.8-39.2175.7-63.879.32.700111.1I129 G130 D136 L137I129-Q133 HydrophobicContact CG2-CB 4.33Å; G130-Q133 VanDerWaalsContact C-OE1 3.3Å; G130-Q133 PolarHBondContact O-N 3.06Å; G130-Q133 PolarHBondContact O-OE1 2.98Å; Q133-D136 PolarHBondContact O-N 3.35Å; Q133-L137 WeakPolarHBondContact O-CB 3.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.32Å; Q133-L137 PolarHBondContact O-N 3.43Å
134Y89.7Confident84.9Confident7 Ų752.1 Ų52.13%0.02727%0.267CS..Hα-helixtrans-62.1-44.7173.5178.7-93.8000112.6M102 I105 M106 K110 Y112 G130 R131 N132 D136 L137 M138M102-Y134 HydrophobicContact CG-CD2 4.48Å; M102-Y134 HydrophobicContact SD-CD2 3.51Å; M102-Y134 VanDerWaalsContact SD-CD2 3.51Å; M102-Y134 HydrophobicContact SD-CE2 3.73Å; I105-Y134 HydrophobicContact CG2-CE2 4.11Å; I105-Y134 VanDerWaalsContact CG2-OH 3.29Å; I105-Y134 WeakPolarHBondContact CG2-OH 3.47Å; I105-Y134 PolarHBondContact O-OH 3.2Å; M106-Y134 HydrophobicContact CG-CD2 4.38Å; M106-Y134 HydrophobicContact CG-CE2 3.54Å; K110-Y134 WeakPolarHBondContact O-CE1 3.12Å; K110-Y134 PolarHBondContact O-OH 3.17Å; Y112-Y134 HydrophobicContact CD2-CD1 4.4Å; Y112-Y134 HydrophobicContact CD2-CD2 4.14Å; Y112-Y134 AromaticContact CD2-CG 3.78Å; Y112-Y134 HydrophobicContact CD2-CG 3.78Å; Y112-Y134 HydrophobicContact CG-CG 4.35Å; G130-Y134 PolarHBondContact O-N 3.35Å; R131-Y134 PolarHBondContact O-N 3.01Å; N132-Y134 VanDerWaalsContact C-N 3.26Å; N132-Y134 PolarHBondContact O-N 3.4Å; Y134-D136 VanDerWaalsContact C-N 3.31Å; Y134-D136 PolarHBondContact O-N 3.36Å; Y134-L137 PolarHBondContact O-N 2.91Å; Y134-M138 HydrophobicContact CE1-CE 4.32Å; Y134-M138 VanDerWaalsContact O-CB 3.27Å; Y134-M138 WeakPolarHBondContact O-CB 3.3Å; Y134-M138 PolarHBondContact O-N 2.79Å; Y134-M138 VanDerWaalsContact OH-CE 3.23Å; Y134-M138 WeakPolarHBondContact OH-CE 3.4Å
135I87.6Confident83.3Confident73 Ų7357.5 Ų57.537%0.37429%0.288SS..Hα-helixtrans-60.3-43176.5-70163000110.3R131 N132 M138 N139R131-I135 HydrophobicContact CG-CD1 4.34Å; R131-I135 WeakPolarHBondContact O-CD1 3.29Å; R131-I135 VanDerWaalsContact O-CG1 3.32Å; R131-I135 WeakPolarHBondContact O-CG1 3.4Å; R131-I135 PolarHBondContact O-N 3.49Å; R131-I135 VanDerWaalsContact O-N 3.13Å; N132-I135 WeakPolarHBondContact O-CB 3.47Å; N132-I135 PolarHBondContact O-N 3.18Å; I135-M138 PolarHBondContact O-N 3.05Å; I135-N139 WeakPolarHBondContact O-CB 3.36Å; I135-N139 PolarHBondContact O-N 2.89Å; I135-N139 PolarHBondContact O-ND2 3.31Å
136D88.3Confident81.7Confident91 Ų9163.9 Ų63.949%0.48732%0.317SS..Hα-helixtrans-66.1-42.9177.2-68.3-33.7000112.8N132 Q133 Y134 N139 Q140N132-D136 PolarHBondContact O-N 2.91Å; Q133-D136 PolarHBondContact O-N 3.35Å; Y134-D136 VanDerWaalsContact C-N 3.31Å; Y134-D136 PolarHBondContact O-N 3.36Å; D136-N139 PolarHBondContact O-N 3.22Å; D136-Q140 WeakPolarHBondContact O-CB 3.3Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.21Å
137L87.7Confident80.2Confident27 Ų2772.5 Ų72.514%0.14136%0.355CS..Hα-helixtrans-64.1-39.3175.3-69.5169.4000111.8M106 I129 Q133 Y134 Q140 C141 L156M106-L137 HydrophobicContact CE-CB 4.01Å; I129-L137 HydrophobicContact CD1-CD1 3.9Å; I129-L137 HydrophobicContact CG1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 4.28Å; Q133-L137 WeakPolarHBondContact O-CB 3.24Å; Q133-L137 WeakPolarHBondContact O-CG 3.32Å; Q133-L137 PolarHBondContact O-N 3.43Å; Y134-L137 PolarHBondContact O-N 2.91Å; L137-Q140 PolarHBondContact O-N 3Å; L137-C141 WeakPolarHBondContact O-CB 3.45Å; L137-C141 PolarHBondContact O-N 3.34Å; L137-L156 HydrophobicContact CD2-CB 4.16Å; L137-L156 WeakPolarHBondContact CD2-O 3.45Å
138M85.5Confident78.6Confident10 Ų1082 Ų825%0.04940%0.396CS..Hα-helixtrans-64-44.3173.3177.858.37100111.4M106 Y134 I135 Q140 C141 R142M106-M138 HydrophobicContact CB-CE 4.35Å; M106-M138 HydrophobicContact CG-CE 4.42Å; Y134-M138 HydrophobicContact CE1-CE 4.32Å; Y134-M138 VanDerWaalsContact O-CB 3.27Å; Y134-M138 WeakPolarHBondContact O-CB 3.3Å; Y134-M138 PolarHBondContact O-N 2.79Å; Y134-M138 VanDerWaalsContact OH-CE 3.23Å; Y134-M138 WeakPolarHBondContact OH-CE 3.4Å; I135-M138 PolarHBondContact O-N 3.05Å; M138-Q140 VanDerWaalsContact C-N 3.34Å; M138-Q140 PolarHBondContact O-N 3.16Å; M138-C141 PolarHBondContact O-N 3.26Å; M138-R142 WeakPolarHBondContact O-CB 3.47Å; M138-R142 WeakPolarHBondContact O-CG 3.39Å; M138-R142 PolarHBondContact O-N 3.1Å; M138-R142 HydrophobicContact SD-CG 4.19Å
139N86.6Confident77.3Confident82 Ų8291 Ų9144%0.43942%0.421SS..Hα-helixtrans-63.7-38.5176.2-72.8-25.8000111.8I135 D136 S143I135-N139 WeakPolarHBondContact O-CB 3.36Å; I135-N139 PolarHBondContact O-N 2.89Å; I135-N139 PolarHBondContact O-ND2 3.31Å; D136-N139 PolarHBondContact O-N 3.22Å; N139-S143 VanDerWaalsContact O-CB 3.23Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.32Å; N139-S143 PolarHBondContact O-OG 3.24Å
140Q84.5Confident75.9Confident96 Ų9698.4 Ų98.445%0.44945%0.448SS..Hα-helixtrans-65-43.7171.8-71.9174.952.400112.1D136 L137 M138 R142 S143 S144 L156D136-Q140 WeakPolarHBondContact O-CB 3.3Å; D136-Q140 VanDerWaalsContact O-CG 3.28Å; D136-Q140 WeakPolarHBondContact O-CG 3.44Å; D136-Q140 PolarHBondContact O-N 3.21Å; L137-Q140 PolarHBondContact O-N 3Å; M138-Q140 VanDerWaalsContact C-N 3.34Å; M138-Q140 PolarHBondContact O-N 3.16Å; Q140-R142 VanDerWaalsContact C-N 3.35Å; Q140-R142 PolarHBondContact O-N 3.04Å; Q140-S143 WeakPolarHBondContact CA-OG 3.45Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 3.05Å; Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 2.86Å; Q140-L156 HydrophobicContact CB-CD1 4.41Å; Q140-L156 HydrophobicContact CB-CD2 4.46Å
141C81.6Confident74.9Confident9 Ų9103.1 Ų103.16%0.06147%0.466CS..Hα-helixtrans-61.5-40.9176.7-168.90000112.3M106 L137 M138 L156M106-C141 HydrophobicContact CE-CB 4.19Å; L137-C141 WeakPolarHBondContact O-CB 3.45Å; L137-C141 PolarHBondContact O-N 3.34Å; M138-C141 PolarHBondContact O-N 3.26Å; C141-L156 HydrophobicContact CB-CD1 3.66Å
142R80.1Confident74.2Confident116 Ų116100.6 Ų100.644%0.43847%0.465SS..Hα-helixtrans-72-37.8177.1-74174.1167.4163.6-2.3113.2E109 M138 Q140E109-R142 IonicContact OE2-CZ 2.67Å; E109-R142 IonicContact OE2-NE 2.65Å; E109-R142 PolarHBondContact OE2-NE 3.16Å; E109-R142 IonicContact OE2-NH2 2.7Å; E109-R142 PolarHBondContact OE2-NH2 2.78Å; M138-R142 WeakPolarHBondContact O-CB 3.47Å; M138-R142 WeakPolarHBondContact O-CG 3.39Å; M138-R142 PolarHBondContact O-N 3.1Å; M138-R142 HydrophobicContact SD-CG 4.19Å; Q140-R142 VanDerWaalsContact C-N 3.35Å; Q140-R142 PolarHBondContact O-N 3.04Å
143S73.1Confident73.7Confident81 Ų8196.1 Ų96.157%0.56644%0.441SS*.Hα-helixtrans-83.7-15.5-176.560.10000115.1N139 Q140 K145N139-S143 VanDerWaalsContact O-CB 3.23Å; N139-S143 WeakPolarHBondContact O-CB 3.39Å; N139-S143 PolarHBondContact O-N 3.32Å; N139-S143 PolarHBondContact O-OG 3.24Å; Q140-S143 WeakPolarHBondContact CA-OG 3.45Å; Q140-S143 PolarHBondContact O-N 3.32Å; Q140-S143 PolarHBondContact O-OG 3.05Å; S143-K145 PolarHBondContact O-N 3.33Å
144S61.8Low73.4Confident26 Ų2699.2 Ų99.218%0.18245%0.448CS..G310 helixtrans-54-2.5178.11750000116.4Q140 K146 R149 K151Q140-S144 WeakPolarHBondContact O-CB 3.4Å; Q140-S144 PolarHBondContact O-N 2.86Å; S144-K146 VanDerWaalsContact C-N 3.28Å; S144-K146 PolarHBondContact O-N 3.19Å; S144-R149 PolarHBondContact OG-O 3.45Å; S144-K151 PolarHBondContact OG-N 2.57Å
145K57Low73Confident175 Ų175103.9 Ų103.976%0.76147%0.474SS*.G310 helixtrans-66.7-12.2-172.5-69.1-179.5178.8176.80116.2S143S143-K145 PolarHBondContact O-N 3.33Å
146K54.1Low72.7Confident184 Ų184101.5 Ų101.580%0.846%0.462SS*.G310 helixtrans-78.9-27.5-163.2-75.3-168.9174.2-178.20117.1S144S144-K146 VanDerWaalsContact C-N 3.28Å; S144-K146 PolarHBondContact O-N 3.19Å
147F55.4Low72.6Confident180 Ų18097.6 Ų97.679%0.78944%0.441SS*.SBendtrans-142.297.8177.1-78.2-79.5000113.8R149F147-R149 VanDerWaalsContact C-N 3.29Å; F147-R149 PolarHBondContact O-N 3.03Å
148F57.2Low72.5Confident207 Ų20798.1 Ų98.191%0.90845%0.446SS*.SBendtrans55-9.1157-78.9-78.3000122.6
149R58.1Low72.3Confident222 Ų222105.2 Ų105.284%0.83848%0.482SS*.  trans-138.7126.2160-68.7-170.1-179.5178.41.5111.1S144 F147 K151S144-R149 PolarHBondContact OG-O 3.45Å; F147-R149 VanDerWaalsContact C-N 3.29Å; F147-R149 PolarHBondContact O-N 3.03Å; R149-K151 PolarHBondContact O-N 3.33Å
150R58.6Low72Confident159 Ų159108.7 Ų108.760%0.649%0.494SS*.PPolyproline II helixtrans-70.1119162.7-176.5-180-174.7178.92.1106.7T152R150-T152 PolarHBondContact O-N 3.02Å
151K65.1Low71.9Confident107 Ų107104.9 Ų104.947%0.46548%0.477SS..PPolyproline II helixtrans-59.8130.1166.1-72.3-172.5175.3-1710108.4S144 R149 D155 L156S144-K151 PolarHBondContact OG-N 2.57Å; R149-K151 PolarHBondContact O-N 3.33Å; K151-D155 HydrophobicContact CB-CB 4.25Å; K151-L156 HydrophobicContact CB-CD1 4.47Å; K151-L156 HydrophobicContact CB-CG 4.29Å; K151-L156 HydrophobicContact CD-CD2 3.57Å; K151-L156 HydrophobicContact CD-CG 4.21Å
152T72.3Confident72.1Confident71 Ų71107.6 Ų107.644%0.43649%0.493SS..PPolyproline II helixtrans-69.4160170.1680000109.3R150 R154 D155R150-T152 PolarHBondContact O-N 3.02Å; T152-R154 PolarHBondContact O-N 3.1Å; T152-D155 WeakPolarHBondContact CB-OD2 3.46Å; T152-D155 PolarHBondContact N-OD2 3.2Å; T152-D155 PolarHBondContact O-N 3.27Å; T152-D155 VanDerWaalsContact O-N 3.07Å; T152-D155 PolarHBondContact OG1-N 3.12Å; T152-D155 PolarHBondContact OG1-OD2 2.91Å
153A76.6Confident71.9Confident1 Ų1108.8 Ų108.81%0.00850%0.504CS..G310 helixtrans-53.8-40.2173.700000111M106 D155 L156 L157M106-A153 HydrophobicContact CB-CB 3.71Å; M106-A153 HydrophobicContact CE-CB 4.27Å; M106-A153 HydrophobicContact CG-CB 4.46Å; M106-A153 HydrophobicContact SD-CB 4.01Å; A153-D155 VanDerWaalsContact C-N 3.31Å; A153-D155 PolarHBondContact O-N 3.24Å; A153-L156 WeakPolarHBondContact O-CB 3.34Å; A153-L156 PolarHBondContact O-N 2.82Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 2.8Å
154R80.3Confident72.3Confident159 Ų159105.3 Ų105.360%0.648%0.479SS*.G310 helixtrans-64.1-25.8177.8-165.5170.5-179146.3-5.7115.3E103 T152 L156E103-R154 WeakPolarHBondContact OE1-CD 3.25Å; E103-R154 IonicContact OE2-NH1 3.91Å; E103-R154 PolarHBondContact OE2-NH1 3.07Å; T152-R154 PolarHBondContact O-N 3.1Å; R154-L156 PolarHBondContact O-N 3.18Å
155D81.2Confident73Confident105 Ų105106.9 Ų106.956%0.56149%0.493SS*.G310 helixtrans-77.2-9.2173.1-58.6-54.6000113K151 T152 A153K151-D155 HydrophobicContact CB-CB 4.25Å; T152-D155 WeakPolarHBondContact CB-OD2 3.46Å; T152-D155 PolarHBondContact N-OD2 3.2Å; T152-D155 PolarHBondContact O-N 3.27Å; T152-D155 VanDerWaalsContact O-N 3.07Å; T152-D155 PolarHBondContact OG1-N 3.12Å; T152-D155 PolarHBondContact OG1-OD2 2.91Å; A153-D155 VanDerWaalsContact C-N 3.31Å; A153-D155 PolarHBondContact O-N 3.24Å
156L82.1Confident74.3Confident23 Ų2398.9 Ų98.912%0.1246%0.459CS..THydrogen-bonded Turntrans-108.7-16.5179.6-66171.8000112.7M106 L137 Q140 C141 K151 A153 R154M106-L156 HydrophobicContact CE-CD1 4.45Å; L137-L156 HydrophobicContact CD2-CB 4.16Å; L137-L156 WeakPolarHBondContact CD2-O 3.45Å; Q140-L156 HydrophobicContact CB-CD1 4.41Å; Q140-L156 HydrophobicContact CB-CD2 4.46Å; C141-L156 HydrophobicContact CB-CD1 3.66Å; K151-L156 HydrophobicContact CB-CD1 4.47Å; K151-L156 HydrophobicContact CB-CG 4.29Å; K151-L156 HydrophobicContact CD-CD2 3.57Å; K151-L156 HydrophobicContact CD-CG 4.21Å; A153-L156 WeakPolarHBondContact O-CB 3.34Å; A153-L156 PolarHBondContact O-N 2.82Å; R154-L156 PolarHBondContact O-N 3.18Å
157L86.8Confident75.7Confident9 Ų991.3 Ų91.35%0.04743%0.426CS..SBendtrans-81.8154.6179.6-69.3171.1000112.3T99 M102 E103 M106 I129 A153T99-L157 HydrophobicContact CG2-CB 4.23Å; T99-L157 HydrophobicContact CG2-CD1 4.01Å; M102-L157 HydrophobicContact CB-CD1 4.16Å; M102-L157 HydrophobicContact CB-CD2 3.93Å; M102-L157 HydrophobicContact CG-CD2 3.54Å; E103-L157 HydrophobicContact CB-CD1 4.06Å; M106-L157 HydrophobicContact SD-CD2 3.99Å; M106-L157 HydrophobicContact SD-CG 4.3Å; I129-L157 HydrophobicContact CD1-CD2 3.48Å; I129-L157 VanDerWaalsContact CD1-CD2 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.27Å; A153-L157 PolarHBondContact O-N 2.8Å
158P84.1Confident76.9Confident38 Ų3883.4 Ų83.425%0.24739%0.394CS..  trans-54.6138.7174.5-2532.5000112.8F95 L127 I129 K160F95-P158 HydrophobicContact CE2-CB 4.27Å; F95-P158 HydrophobicContact CZ-CB 4.25Å; F95-P158 WeakPolarHBondContact CZ-O 3.5Å; L127-P158 HydrophobicContact CB-CG 4.34Å; L127-P158 VanDerWaalsContact O-CG 3.3Å; L127-P158 WeakPolarHBondContact O-CG 3.5Å; I129-P158 HydrophobicContact CD1-CG 4.34Å; I129-P158 HydrophobicContact CG1-CG 4.5Å; P158-K160 WeakPolarHBondContact CB-O 3.44Å
159I81.2Confident78.3Confident159 Ų15975 Ų7582%0.81536%0.356SS*.SBendtrans-91.5-19.9176.2-58173.6000111.3
160K80.7Confident79.8Confident155 Ų15564.7 Ų64.767%0.67432%0.317SS*.SBendtrans-129.2152.2176.5-67.3-178.1178.6-179.30109.8F95 P158F95-K160 WeakPolarHBondContact CE2-O 3.41Å; F95-K160 WeakPolarHBondContact CZ-O 3.34Å; P158-K160 WeakPolarHBondContact CB-O 3.44Å
161P83.6Confident81.2Confident17 Ų1758.3 Ų58.311%0.1130%0.296CS..  trans-65157.5169.829.2-35.8000111.6F95 L126 N217F95-P161 HydrophobicContact CB-CB 4.45Å; F95-P161 HydrophobicContact CD2-CB 3.67Å; F95-P161 HydrophobicContact CD2-CG 4.48Å; F95-P161 VanDerWaalsContact CE2-CA 3.47Å; F95-P161 HydrophobicContact CE2-CB 4.12Å; F95-P161 VanDerWaalsContact CE2-N 3.34Å; F95-P161 HydrophobicContact CG-CB 4.11Å; L126-P161 WeakPolarHBondContact O-CA 3.33Å; P161-N217 HydrophobicContact CG-CB 4.46Å
162V83.9Confident82.4Confident65 Ų6553.2 Ų53.239%0.39427%0.274SS..  trans-67.3150.3164.7179.50000109.4L126 I164L126-V162 PolarHBondContact O-N 2.87Å; V162-I164 PolarHBondContact O-N 2.79Å; V162-I164 VanDerWaalsContact O-N 3.13Å
163E77.1Confident83.3Confident142 Ų14251.3 Ų51.366%0.66426%0.26SS*.  trans-67.6110.8174.9-64.2-169.3167.900110.5
164I80.8Confident83.8Confident8 Ų852 Ų524%0.04127%0.266CS..  trans-84.5146.3-179.955.7162.7000111.4R125 L126 V162 I166 H213 Y216 L223R125-I164 HydrophobicContact CG-CG2 4.46Å; L126-I164 HydrophobicContact CD2-CG2 3.95Å; V162-I164 PolarHBondContact O-N 2.79Å; V162-I164 VanDerWaalsContact O-N 3.13Å; I164-I166 HydrophobicContact CD1-CD1 4.4Å; I164-I166 HydrophobicContact CD1-CG1 3.97Å; I164-I166 HydrophobicContact CG1-CD1 4.41Å; I164-I166 HydrophobicContact CG1-CG1 3.91Å; I164-I166 PolarHBondContact O-N 3.14Å; I164-H213 PolarHBondContact O-CE1 3.06Å; I164-Y216 HydrophobicContact CD1-CD1 3.98Å; I164-Y216 HydrophobicContact CD1-CE1 3.42Å; I164-Y216 VanDerWaalsContact CD1-CE1 3.42Å; I164-Y216 HydrophobicContact CD1-CE2 4.2Å; I164-Y216 HydrophobicContact CG1-CD1 4.18Å; I164-Y216 HydrophobicContact CG1-CE1 3.86Å; I164-L223 HydrophobicContact CD1-CD1 3.72Å
165A77.9Confident84Confident58 Ų5845 Ų4548%0.47924%0.243SC..  trans-7197.8170.500000110.2W170 V317A165-W170 VanDerWaalsContact O-CH2 3.24Å; A165-W170 WeakPolarHBondContact O-CH2 3.3Å; A165-V317 HydrophobicContact CB-CG2 4.24Å
166I83.3Confident84.1Confident7 Ų746.1 Ų46.14%0.03624%0.241CC..  trans-84.9127.2172.9-55.3-176.7000108.5I164 W170 V212 L223 W311I164-I166 HydrophobicContact CD1-CD1 4.4Å; I164-I166 HydrophobicContact CD1-CG1 3.97Å; I164-I166 HydrophobicContact CG1-CD1 4.41Å; I164-I166 HydrophobicContact CG1-CG1 3.91Å; I164-I166 PolarHBondContact O-N 3.14Å; I166-W170 HydrophobicContact CB-CE3 4.41Å; I166-W170 HydrophobicContact CB-CZ3 4.45Å; I166-W170 HydrophobicContact CG1-CZ3 4.43Å; I166-W170 HydrophobicContact CG2-CD2 4.45Å; I166-W170 HydrophobicContact CG2-CE3 3.88Å; I166-W170 HydrophobicContact CG2-CZ3 4.41Å; I166-V212 HydrophobicContact CD1-CG1 3.8Å; I166-L223 HydrophobicContact CD1-CD1 3.6Å; I166-L223 HydrophobicContact CD1-CD2 4.36Å; I166-L223 HydrophobicContact CG1-CD1 3.81Å; I166-L223 HydrophobicContact CG2-CD1 4.33Å; I166-L223 HydrophobicContact CG2-CD2 4.42Å; I166-W311 HydrophobicContact CB-CH2 4.47Å; I166-W311 HydrophobicContact CG2-CH2 4.16Å; I166-W311 VanDerWaalsContact O-CZ3 3.31Å; I166-W311 WeakPolarHBondContact O-CZ3 3.2Å
167E82.6Confident84.2Confident25 Ų2546.7 Ų46.712%0.11724%0.243CC..  trans-91.7151.4174.7-48.5-176.7106.900111.9W169 W170 S204 V317E167-W169 PolarHBondContact O-N 3.07Å; E167-W169 VanDerWaalsContact O-N 3.15Å; E167-W169 PolarHBondContact OE2-NE1 3.31Å; E167-W170 HydrophobicContact CB-CD2 4.46Å; E167-W170 HydrophobicContact CB-CG 4.36Å; E167-W170 HydrophobicContact CG-CZ2 3.98Å; E167-W170 WeakPolarHBondContact O-CB 3.46Å; E167-W170 PolarHBondContact O-N 3.38Å; E167-W170 PolarHBondContact OE2-NE1 3.34Å; E167-S204 PolarHBondContact O-OG 3.43Å; E167-V317 HydrophobicContact CG-CG2 4.26Å
168A82Confident84.1Confident14 Ų1448 Ų4812%0.11625%0.252CS..THydrogen-bonded Turntrans-68.8-12.2-171.100000115.7S204 G205 L307 W311A168-S204 VanDerWaalsContact CA-OG 3.23Å; A168-S204 WeakPolarHBondContact CA-OG 3.46Å; A168-S204 PolarHBondContact O-OG 3.18Å; A168-G205 WeakPolarHBondContact O-CA 3.46Å; A168-G205 PolarHBondContact O-N 2.88Å; A168-L307 HydrophobicContact CB-CD2 3.67Å; A168-W311 HydrophobicContact CB-CD2 4.22Å; A168-W311 HydrophobicContact CB-CE3 3.81Å; A168-W311 HydrophobicContact CB-CZ3 3.96Å
169W85.3Confident83.9Confident30 Ų3053.5 Ų53.511%0.11427%0.274CS..THydrogen-bonded Turntrans-97-6.2178.368.7-86.5000113.5E167 L203 V225 P226 I227 C290 Q300E167-W169 PolarHBondContact O-N 3.07Å; E167-W169 VanDerWaalsContact O-N 3.15Å; E167-W169 PolarHBondContact OE2-NE1 3.31Å; W169-L203 WeakPolarHBondContact O-CD2 3.31Å; W169-V225 HydrophobicContact CH2-CG1 3.42Å; W169-V225 VanDerWaalsContact CH2-CG1 3.42Å; W169-V225 HydrophobicContact CZ2-CG1 3.99Å; W169-V225 HydrophobicContact CZ3-CG1 4.05Å; W169-P226 HydrophobicContact CE3-CG 4.3Å; W169-P226 HydrophobicContact CZ3-CG 4.18Å; W169-P226 WeakPolarHBondContact CZ3-O 3.39Å; W169-I227 HydrophobicContact CH2-CD1 4.05Å; W169-C290 HydrophobicContact CZ2-CB 4.43Å; W169-Q300 VanDerWaalsContact CD1-OE1 3.25Å; W169-Q300 VanDerWaalsContact CD2-NE2 3.3Å; W169-Q300 VanDerWaalsContact CG-NE2 3.32Å; W169-Q300 VanDerWaalsContact NE1-NE2 3.1Å
170W89.8Confident84Confident6 Ų650.7 Ų50.72%0.02326%0.261CS..SBendtrans-69.3151.8176.1-63.58.8000110.3A165 I166 E167 S204 L223 V225A165-W170 VanDerWaalsContact O-CH2 3.24Å; A165-W170 WeakPolarHBondContact O-CH2 3.3Å; I166-W170 HydrophobicContact CB-CE3 4.41Å; I166-W170 HydrophobicContact CB-CZ3 4.45Å; I166-W170 HydrophobicContact CG1-CZ3 4.43Å; I166-W170 HydrophobicContact CG2-CD2 4.45Å; I166-W170 HydrophobicContact CG2-CE3 3.88Å; I166-W170 HydrophobicContact CG2-CZ3 4.41Å; E167-W170 HydrophobicContact CB-CD2 4.46Å; E167-W170 HydrophobicContact CB-CG 4.36Å; E167-W170 HydrophobicContact CG-CZ2 3.98Å; E167-W170 WeakPolarHBondContact O-CB 3.46Å; E167-W170 PolarHBondContact O-N 3.38Å; E167-W170 PolarHBondContact OE2-NE1 3.34Å; W170-S204 PolarHBondContact O-N 3.45Å; W170-S204 PolarHBondContact O-OG 3.12Å; W170-L223 HydrophobicContact CE3-CB 4.16Å; W170-L223 HydrophobicContact CE3-CD1 3.95Å; W170-L223 HydrophobicContact CZ3-CD1 4.01Å; W170-V225 HydrophobicContact CB-CG2 4.44Å; W170-V225 HydrophobicContact CD2-CG2 3.6Å; W170-V225 HydrophobicContact CE3-CG2 4.04Å; W170-V225 HydrophobicContact CG-CG2 3.77Å; W170-V225 HydrophobicContact CZ2-CG2 4.41Å
171V89.6Confident84Confident26 Ų2644.2 Ų44.216%0.15823%0.233CC..EExtended strand (participates in β ladder)trans-102.7119.1-1761730000110.1Q173 P201 Q202 L203 D224 P226V171-Q173 HydrophobicContact CG1-CG 4.31Å; V171-P201 HydrophobicContact CG1-CB 3.52Å; V171-Q202 CarbonylContact C-O 3.56Å; V171-Q202 WeakPolarHBondContact CA-O 3.41Å; V171-L203 HydrophobicContact CG2-CD2 3.99Å; V171-D224 HydrophobicContact CB-CB 4.29Å; V171-D224 PolarHBondContact N-O 2.95Å; V171-D224 PolarHBondContact O-N 2.76Å; V171-P226 HydrophobicContact CG2-CG 3.92Å
172V90.2Very high83.9Confident0 Ų046.3 Ų46.30%024%0.243CC..EExtended strand (participates in β ladder)trans-82.7129.8175.7-175.70000109.9I196 P201 Q202 L207 V212 I221 L223V172-I196 HydrophobicContact CB-CD1 4.44Å; V172-I196 HydrophobicContact CG1-CD1 3.65Å; V172-P201 WeakPolarHBondContact O-CA 3.36Å; V172-Q202 PolarHBondContact N-O 3.21Å; V172-Q202 PolarHBondContact O-N 3.09Å; V172-L207 HydrophobicContact CB-CD1 4.35Å; V172-L207 HydrophobicContact CG2-CD1 4.23Å; V172-V212 HydrophobicContact CG2-CG1 4.17Å; V172-V212 HydrophobicContact CG2-CG2 4.46Å; V172-I221 HydrophobicContact CG1-CB 3.87Å; V172-I221 HydrophobicContact CG1-CD1 3.62Å; V172-I221 HydrophobicContact CG1-CG1 4.32Å; V172-I221 HydrophobicContact CG1-CG2 3.82Å; V172-L223 HydrophobicContact CG2-CD2 4Å
173Q89.8Confident83.9Confident31 Ų3149.7 Ų49.715%0.14525%0.253CS..EExtended strand (participates in β ladder)trans-126.4139.8172.6-61.7-168.242.500110.8V171 P201 I221 Y222V171-Q173 HydrophobicContact CG1-CG 4.31Å; Q173-P201 HydrophobicContact CG-CB 4Å; Q173-P201 HydrophobicContact CG-CG 4.07Å; Q173-I221 CarbonylContact O-C 3.56Å; Q173-I221 VanDerWaalsContact O-CA 3.25Å; Q173-I221 WeakPolarHBondContact O-CA 3.35Å; Q173-I221 WeakPolarHBondContact O-CB 3.28Å; Q173-Y222 HydrophobicContact CB-CD1 4.37Å; Q173-Y222 HydrophobicContact CB-CD2 4.29Å; Q173-Y222 HydrophobicContact CB-CE1 3.88Å; Q173-Y222 HydrophobicContact CB-CE2 3.77Å; Q173-Y222 HydrophobicContact CG-CE2 4.19Å; Q173-Y222 PolarHBondContact N-O 3.03Å; Q173-Y222 PolarHBondContact O-N 2.78Å; Q173-Y222 PolarHBondContact OE1-OH 3.08Å
174A87.4Confident84.3Confident15 Ų1548.5 Ų48.512%0.12425%0.25CC..EExtended strand (participates in β ladder)trans-63.7136.917300000111.2K88 I177 I196 I197 Y222K88-A174 WeakPolarHBondContact CE-O 3.33Å; A174-I177 HydrophobicContact CB-CD1 4.27Å; A174-I196 HydrophobicContact CB-CG2 3.95Å; A174-I197 HydrophobicContact CB-CG1 4.38Å; A174-Y222 WeakPolarHBondContact O-CE1 3.41Å
175G85.5Confident84.5Confident12 Ų1248.5 Ų48.512%0.12425%0.25CS..  trans-82.9-152.3171.800000112.3I177 F220G175-I177 PolarHBondContact O-N 2.99Å; G175-F220 PolarHBondContact N-O 2.83Å
176Y83.3Confident85Confident129 Ų12949.2 Ų49.251%0.50625%0.249SC..  trans-87.4101.6168.3-168.4-92.8000110.3K88 T178K88-Y176 VanDerWaalsContact O-CD2 3.26Å; K88-Y176 WeakPolarHBondContact O-CD2 3.38Å; Y176-T178 HydrophobicContact CD1-CG2 4.04Å; Y176-T178 HydrophobicContact CE1-CG2 3.55Å
177I83.9Confident85.1Confident34 Ų3455.2 Ų55.217%0.17428%0.28CS..  trans-106133.1-178.7-53.4175.3000108.7A174 G175 D181 I182 I193 F220A174-I177 HydrophobicContact CB-CD1 4.27Å; G175-I177 PolarHBondContact O-N 2.99Å; I177-D181 HydrophobicContact CG2-CB 4.05Å; I177-I182 HydrophobicContact CG2-CD1 4.21Å; I177-I182 HydrophobicContact CG2-CG1 3.74Å; I177-I193 HydrophobicContact CD1-CD1 4.2Å; I177-I193 HydrophobicContact CD1-CG1 4.05Å; I177-I193 HydrophobicContact CD1-CG2 3.68Å; I177-F220 HydrophobicContact CD1-CB 4.2Å; I177-F220 HydrophobicContact CG1-CB 4.18Å
178T83.8Confident85.4Confident38 Ų3857.6 Ų57.623%0.23330%0.298CS..  trans-108.7165.9175.569.80000112.3Y176 D180 D181 I182Y176-T178 HydrophobicContact CD1-CG2 4.04Å; Y176-T178 HydrophobicContact CE1-CG2 3.55Å; T178-D180 PolarHBondContact O-N 2.77Å; T178-D181 WeakPolarHBondContact CB-OD2 2.95Å; T178-D181 PolarHBondContact N-OD2 3.3Å; T178-D181 WeakPolarHBondContact O-CB 3.25Å; T178-D181 PolarHBondContact O-N 2.8Å; T178-D181 VanDerWaalsContact OG1-CG 3.31Å; T178-D181 PolarHBondContact OG1-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 3.38Å; T178-I182 WeakPolarHBondContact O-CG1 3.26Å; T178-I182 PolarHBondContact O-N 2.99Å; T178-I182 VanDerWaalsContact O-N 3.1Å
179E80.7Confident85.7Confident152 Ų15257 Ų5771%0.7129%0.293SS*.Hα-helixtrans-57.2-32.5176.9-64-178.3-169.700113.2K183E179-K183 VanDerWaalsContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CE 3.34Å; E179-K183 WeakPolarHBondContact O-CG 3.3Å; E179-K183 PolarHBondContact O-N 2.7Å
180D82.1Confident85.8Confident101 Ų10158.5 Ų58.554%0.5430%0.3SS..Hα-helixtrans-74.1-33.7176.7-69.5-40.7000112.6T178 I182 K183T178-D180 PolarHBondContact O-N 2.77Å; D180-I182 VanDerWaalsContact C-N 3.33Å; D180-K183 PolarHBondContact O-N 3.25Å; D180-K183 IonicContact OD1-NZ 3.21Å; D180-K183 PolarHBondContact OD1-NZ 3.46Å
181D82.2Confident85.6Confident18 Ų1861.9 Ų61.910%0.09632%0.323CS..Hα-helixtrans-62.9-42.4172.1-61-59.6000110.6R91 I177 T178 K183 I184 C185 F220R91-D181 IonicContact CZ-OD1 3.57Å; R91-D181 IonicContact CZ-OD2 2.98Å; R91-D181 IonicContact NH1-OD2 3.62Å; R91-D181 PolarHBondContact NH1-OD2 3.11Å; R91-D181 IonicContact NH2-OD1 2.78Å; R91-D181 PolarHBondContact NH2-OD1 3.39Å; R91-D181 IonicContact NH2-OD2 3.5Å; R91-D181 PolarHBondContact NH2-OD2 3.09Å; I177-D181 HydrophobicContact CG2-CB 4.05Å; T178-D181 WeakPolarHBondContact CB-OD2 2.95Å; T178-D181 PolarHBondContact N-OD2 3.3Å; T178-D181 WeakPolarHBondContact O-CB 3.25Å; T178-D181 PolarHBondContact O-N 2.8Å; T178-D181 VanDerWaalsContact OG1-CG 3.31Å; T178-D181 PolarHBondContact OG1-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 3.38Å; D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.46Å; D181-I184 PolarHBondContact O-N 2.83Å; D181-I184 VanDerWaalsContact O-N 3.09Å; D181-C185 PolarHBondContact O-N 2.84Å; D181-F220 HydrophobicContact CB-CD1 4.36Å; D181-F220 HydrophobicContact CB-CE1 3.65Å; D181-F220 HydrophobicContact CB-CE2 4.39Å; D181-F220 HydrophobicContact CB-CZ 3.67Å; D181-F220 WeakPolarHBondContact OD1-CE1 3.36Å
182I81.9Confident85.5Confident61 Ų6161.1 Ų61.131%0.31332%0.32SS..Hα-helixtrans-62.8-34.9177.8-65.1168000111.6I177 T178 D180 I184 C185 K190I177-I182 HydrophobicContact CG2-CD1 4.21Å; I177-I182 HydrophobicContact CG2-CG1 3.74Å; T178-I182 WeakPolarHBondContact O-CG1 3.26Å; T178-I182 PolarHBondContact O-N 2.99Å; T178-I182 VanDerWaalsContact O-N 3.1Å; D180-I182 VanDerWaalsContact C-N 3.33Å; I182-I184 PolarHBondContact O-N 3.24Å; I182-C185 PolarHBondContact O-N 3.34Å; I182-C185 VanDerWaalsContact O-N 3.15Å; I182-K190 HydrophobicContact CG2-CG 4.46Å; I182-K190 WeakPolarHBondContact O-CE 3.29Å; I182-K190 PolarHBondContact O-NZ 3.04Å
183K82.8Confident85.4Confident136 Ų13661.2 Ų61.259%0.59132%0.321SS*.Hα-helixtrans-60.8-28.3176.2-68.8162.2-154.3165.30112.2E179 D180 D181E179-K183 VanDerWaalsContact O-CE 3.31Å; E179-K183 WeakPolarHBondContact O-CE 3.34Å; E179-K183 WeakPolarHBondContact O-CG 3.3Å; E179-K183 PolarHBondContact O-N 2.7Å; D180-K183 PolarHBondContact O-N 3.25Å; D180-K183 IonicContact OD1-NZ 3.21Å; D180-K183 PolarHBondContact OD1-NZ 3.46Å; D181-K183 VanDerWaalsContact C-N 3.31Å; D181-K183 PolarHBondContact O-N 3.46Å
184I84.8Confident85.2Confident118 Ų11863.3 Ų63.361%0.60533%0.333SS*.Hα-helixtrans-89.5-11.2-178.5-56.4164.1000112.2D181 I182D181-I184 PolarHBondContact O-N 2.83Å; D181-I184 VanDerWaalsContact O-N 3.09Å; I182-I184 PolarHBondContact O-N 3.24Å
185C85.1Confident85.2Confident7 Ų766.3 Ų66.35%0.04734%0.343CS..  trans-76.6140.4176.4-68.50000113.2D181 I182 E189 K190 F220D181-C185 PolarHBondContact O-N 2.84Å; I182-C185 PolarHBondContact O-N 3.34Å; I182-C185 VanDerWaalsContact O-N 3.15Å; C185-E189 HydrophobicContact CB-CB 4.05Å; C185-K190 HydrophobicContact CB-CD 4.43Å; C185-K190 HydrophobicContact CB-CG 3.84Å; C185-K190 WeakPolarHBondContact O-CE 3.32Å; C185-K190 PolarHBondContact O-NZ 3.21Å; C185-F220 WeakPolarHBondContact SG-CE2 3.47Å
186T89.1Confident85.4Confident73 Ų7366.1 Ų66.145%0.44834%0.339SS..  trans-70167.6167.162.60000111.4E189 K190T186-E189 WeakPolarHBondContact CB-OE2 3.39Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.44Å; T186-E189 PolarHBondContact N-OE2 3.23Å; T186-E189 PolarHBondContact O-N 3.13Å; T186-E189 VanDerWaalsContact OG1-CD 3.26Å; T186-E189 VanDerWaalsContact OG1-CG 3.26Å; T186-E189 WeakPolarHBondContact OG1-CG 3.46Å; T186-E189 PolarHBondContact OG1-OE2 3.18Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.03Å
187L86.1Confident85.5Confident133 Ų13364.7 Ų64.770%0.69634%0.339SS*.Hα-helixtrans-58.4-47.4179.4-172.164.6000114.4E189 K190 C191L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 2.8Å; L187-K190 WeakPolarHBondContact O-CB 3.15Å; L187-K190 PolarHBondContact O-N 2.96Å; L187-C191 PolarHBondContact O-N 3.42Å; L187-C191 VanDerWaalsContact O-N 3.13Å
188P87.4Confident85.7Confident75 Ų7569.6 Ų69.649%0.48737%0.366SS..Hα-helixtrans-69.5-30.617828.3-36.1000112.9K190 A192 V211P188-K190 VanDerWaalsContact C-N 3.35Å; P188-A192 WeakPolarHBondContact O-CB 3.43Å; P188-A192 PolarHBondContact O-N 3.37Å; P188-V211 HydrophobicContact CB-CG2 3.94Å; P188-V211 HydrophobicContact CG-CG2 4.31Å
189E88Confident85.7Confident3 Ų371.7 Ų71.71%0.01438%0.382CS..Hα-helixtrans-63.9-39.2172-74173.6131.900112.1C185 T186 L187 A192 I193 V211 S214 L215 K218C185-E189 HydrophobicContact CB-CB 4.05Å; T186-E189 WeakPolarHBondContact CB-OE2 3.39Å; T186-E189 WeakPolarHBondContact CG2-OE2 3.44Å; T186-E189 PolarHBondContact N-OE2 3.23Å; T186-E189 PolarHBondContact O-N 3.13Å; T186-E189 VanDerWaalsContact OG1-CD 3.26Å; T186-E189 VanDerWaalsContact OG1-CG 3.26Å; T186-E189 WeakPolarHBondContact OG1-CG 3.46Å; T186-E189 PolarHBondContact OG1-OE2 3.18Å; L187-E189 VanDerWaalsContact C-N 3.34Å; L187-E189 PolarHBondContact O-N 2.8Å; E189-A192 PolarHBondContact O-N 3.39Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.38Å; E189-I193 PolarHBondContact O-N 3.17Å; E189-V211 HydrophobicContact CG-CG1 4.08Å; E189-S214 WeakPolarHBondContact OE1-CB 3.45Å; E189-S214 PolarHBondContact OE1-OG 2.92Å; E189-L215 HydrophobicContact CB-CD2 3.92Å; E189-L215 HydrophobicContact CB-CG 4.47Å; E189-L215 HydrophobicContact CG-CD2 4.02Å; E189-L215 HydrophobicContact CG-CG 4.22Å; E189-K218 VanDerWaalsContact OE1-CE 3.27Å; E189-K218 WeakPolarHBondContact OE1-CE 3.45Å; E189-K218 IonicContact OE1-NZ 3.65Å; E189-K218 PolarHBondContact OE1-NZ 3.09Å; E189-K218 IonicContact OE2-NZ 2.71Å; E189-K218 PolarHBondContact OE2-NZ 2.88Å
190K87.4Confident86Confident60 Ų6065.5 Ų65.526%0.26136%0.359SS..Hα-helixtrans-61.8-57.1173.7-77.2163.5167.5140.50111.1I182 C185 T186 L187 P188 A192 I193 D194I182-K190 HydrophobicContact CG2-CG 4.46Å; I182-K190 WeakPolarHBondContact O-CE 3.29Å; I182-K190 PolarHBondContact O-NZ 3.04Å; C185-K190 HydrophobicContact CB-CD 4.43Å; C185-K190 HydrophobicContact CB-CG 3.84Å; C185-K190 WeakPolarHBondContact O-CE 3.32Å; C185-K190 PolarHBondContact O-NZ 3.21Å; T186-K190 WeakPolarHBondContact O-CG 3.45Å; T186-K190 PolarHBondContact O-N 3.03Å; L187-K190 WeakPolarHBondContact O-CB 3.15Å; L187-K190 PolarHBondContact O-N 2.96Å; P188-K190 VanDerWaalsContact C-N 3.35Å; K190-A192 PolarHBondContact O-N 2.95Å; K190-A192 VanDerWaalsContact O-N 3.07Å; K190-I193 WeakPolarHBondContact O-CA 3.5Å; K190-I193 WeakPolarHBondContact O-CB 3.41Å; K190-I193 PolarHBondContact O-N 2.76Å; K190-D194 WeakPolarHBondContact O-CB 3.49Å; K190-D194 PolarHBondContact O-N 2.86Å; K190-D194 VanDerWaalsContact O-OD2 3.08Å
191C87.2Confident86.2Confident77 Ų7764.4 Ų64.452%0.5236%0.357SS..Hα-helixtrans-54.8-33.5177.7-66.70000113.5L187 K195L187-C191 PolarHBondContact O-N 3.42Å; L187-C191 VanDerWaalsContact O-N 3.13Å; C191-K195 VanDerWaalsContact O-CB 3.24Å; C191-K195 WeakPolarHBondContact O-CB 3.25Å; C191-K195 PolarHBondContact O-N 3.33Å; C191-K195 VanDerWaalsContact O-N 3.1Å
192A86.7Confident86.5Confident10 Ų1065.1 Ų65.18%0.08336%0.36CS..Hα-helixtrans-71.3-45.4174.100000112.6P188 E189 K190 I196 V211 L215P188-A192 WeakPolarHBondContact O-CB 3.43Å; P188-A192 PolarHBondContact O-N 3.37Å; E189-A192 PolarHBondContact O-N 3.39Å; K190-A192 PolarHBondContact O-N 2.95Å; K190-A192 VanDerWaalsContact O-N 3.07Å; A192-I196 VanDerWaalsContact O-CD1 3.24Å; A192-I196 WeakPolarHBondContact O-CD1 3.4Å; A192-I196 WeakPolarHBondContact O-CG1 3.45Å; A192-I196 PolarHBondContact O-N 2.89Å; A192-I196 VanDerWaalsContact O-N 3.09Å; A192-V211 HydrophobicContact CB-CG1 3.63Å; A192-L215 HydrophobicContact CB-CD1 4Å
193I87.5Confident86.7Confident3 Ų366.7 Ų66.72%0.01537%0.368CS..Hα-helixtrans-58.3-51.5173.9-72.3163.9000110.4I177 E189 K190 K195 I196 I197 L215 F220I177-I193 HydrophobicContact CD1-CD1 4.2Å; I177-I193 HydrophobicContact CD1-CG1 4.05Å; I177-I193 HydrophobicContact CD1-CG2 3.68Å; E189-I193 VanDerWaalsContact O-CG1 3.28Å; E189-I193 WeakPolarHBondContact O-CG1 3.38Å; E189-I193 PolarHBondContact O-N 3.17Å; K190-I193 WeakPolarHBondContact O-CA 3.5Å; K190-I193 WeakPolarHBondContact O-CB 3.41Å; K190-I193 PolarHBondContact O-N 2.76Å; I193-K195 VanDerWaalsContact C-N 3.34Å; I193-K195 PolarHBondContact O-N 3.44Å; I193-I196 PolarHBondContact O-N 2.84Å; I193-I197 HydrophobicContact CG2-CD1 3.63Å; I193-I197 HydrophobicContact CG2-CG1 4.38Å; I193-I197 WeakPolarHBondContact O-CG1 3.26Å; I193-I197 PolarHBondContact O-N 2.86Å; I193-L215 HydrophobicContact CD1-CD2 3.67Å; I193-L215 HydrophobicContact CG1-CD1 4.21Å; I193-L215 HydrophobicContact CG1-CD2 3.85Å; I193-F220 HydrophobicContact CD1-CD2 4.48Å
194D87.1Confident86.9Confident75 Ų7560.2 Ų60.240%0.40134%0.34SS..Hα-helixtrans-58.4-46.9-178-57.2-29.6000110.1K190 I196 I197 D198K190-D194 WeakPolarHBondContact O-CB 3.49Å; K190-D194 PolarHBondContact O-N 2.86Å; K190-D194 VanDerWaalsContact O-OD2 3.08Å; D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.31Å; D194-I197 PolarHBondContact O-N 3.34Å; D194-I197 VanDerWaalsContact O-N 3.12Å; D194-D198 WeakPolarHBondContact O-CB 3.36Å; D194-D198 PolarHBondContact O-N 2.97Å
195K87.3Confident86.7Confident78 Ų7854.7 Ų54.734%0.33931%0.313SS..Hα-helixtrans-58.2-39.3174.5-174.5-176.3176.3-161.40113C191 I193 S199 Q202 S206 L207C191-K195 VanDerWaalsContact O-CB 3.24Å; C191-K195 WeakPolarHBondContact O-CB 3.25Å; C191-K195 PolarHBondContact O-N 3.33Å; C191-K195 VanDerWaalsContact O-N 3.1Å; I193-K195 VanDerWaalsContact C-N 3.34Å; I193-K195 PolarHBondContact O-N 3.44Å; K195-S199 WeakPolarHBondContact O-CA 3.37Å; K195-S199 WeakPolarHBondContact O-CB 3.44Å; K195-S199 PolarHBondContact O-N 3.46Å; K195-Q202 VanDerWaalsContact CE-OE1 3.25Å; K195-Q202 HydrophobicContact CG-CG 4.46Å; K195-S206 PolarHBondContact NZ-O 3.21Å; K195-L207 HydrophobicContact CD-CD2 4.03Å
196I88.3Confident86.6Confident7 Ų756.4 Ų56.44%0.03633%0.325CS..Hα-helixtrans-73.7-28.3178.8-64.1157.2000111.8V172 A174 A192 I193 D194 G200 Q202 L207 I221V172-I196 HydrophobicContact CB-CD1 4.44Å; V172-I196 HydrophobicContact CG1-CD1 3.65Å; A174-I196 HydrophobicContact CB-CG2 3.95Å; A192-I196 VanDerWaalsContact O-CD1 3.24Å; A192-I196 WeakPolarHBondContact O-CD1 3.4Å; A192-I196 WeakPolarHBondContact O-CG1 3.45Å; A192-I196 PolarHBondContact O-N 2.89Å; A192-I196 VanDerWaalsContact O-N 3.09Å; I193-I196 PolarHBondContact O-N 2.84Å; D194-I196 VanDerWaalsContact C-N 3.33Å; D194-I196 PolarHBondContact O-N 3.31Å; I196-G200 CarbonylContact O-C 3.31Å; I196-G200 VanDerWaalsContact O-C 3.31Å; I196-G200 VanDerWaalsContact O-CA 3.22Å; I196-G200 WeakPolarHBondContact O-CA 3.35Å; I196-G200 PolarHBondContact O-N 3.11Å; I196-Q202 HydrophobicContact CG1-CB 4.31Å; I196-Q202 HydrophobicContact CG1-CG 3.87Å; I196-L207 HydrophobicContact CD1-CD1 4.03Å; I196-L207 HydrophobicContact CG1-CD1 4.38Å; I196-I221 HydrophobicContact CD1-CG2 4.29Å
197I86.6Confident86.4Confident100 Ų10053.4 Ų53.451%0.51331%0.306SS..Hα-helixtrans-76.5-52.1175.3-68.7172.1000110.1A174 I193 D194A174-I197 HydrophobicContact CB-CG1 4.38Å; I193-I197 HydrophobicContact CG2-CD1 3.63Å; I193-I197 HydrophobicContact CG2-CG1 4.38Å; I193-I197 WeakPolarHBondContact O-CG1 3.26Å; I193-I197 PolarHBondContact O-N 2.86Å; D194-I197 PolarHBondContact O-N 3.34Å; D194-I197 VanDerWaalsContact O-N 3.12Å
198D87Confident86.3Confident137 Ų13749.3 Ų49.373%0.73329%0.285SS*.Hα-helixtrans-73.6-42-174-69.3-18.4000113D194D194-D198 WeakPolarHBondContact O-CB 3.36Å; D194-D198 PolarHBondContact O-N 2.97Å
199S84.4Confident86.2Confident81 Ų8148 Ų4857%0.56627%0.271SS*.SBendtrans-97.50.9-178.4-52.30000113.5K195 Q202K195-S199 WeakPolarHBondContact O-CA 3.37Å; K195-S199 WeakPolarHBondContact O-CB 3.44Å; K195-S199 PolarHBondContact O-N 3.46Å; S199-Q202 PolarHBondContact O-NE2 3Å
200G86.6Confident86.1Confident22 Ų2252.9 Ų52.923%0.22730%0.297CS..  trans69.1-165.1-17500000113.9I196 Q202I196-G200 CarbonylContact O-C 3.31Å; I196-G200 VanDerWaalsContact O-C 3.31Å; I196-G200 VanDerWaalsContact O-CA 3.22Å; I196-G200 WeakPolarHBondContact O-CA 3.35Å; I196-G200 PolarHBondContact O-N 3.11Å; G200-Q202 WeakPolarHBondContact O-CG 3.45Å; G200-Q202 PolarHBondContact O-N 3.31Å; G200-Q202 PolarHBondContact O-NE2 2.89Å
201P87.6Confident86.1Confident79 Ų7950.6 Ų50.651%0.51329%0.288SS..SBendtrans-53.5129.8-174.6-26.735.3000113.8V171 V172 Q173V171-P201 HydrophobicContact CG1-CB 3.52Å; V172-P201 WeakPolarHBondContact O-CA 3.36Å; Q173-P201 HydrophobicContact CG-CB 4Å; Q173-P201 HydrophobicContact CG-CG 4.07Å
202Q87.8Confident86Confident32 Ų3247 Ų4715%0.1526%0.263CS..EExtended strand (participates in β ladder)trans-113.1150-176.3-60.8-60.1-68.900111.2V171 V172 K195 I196 S199 G200 L207V171-Q202 CarbonylContact C-O 3.56Å; V171-Q202 WeakPolarHBondContact CA-O 3.41Å; V172-Q202 PolarHBondContact N-O 3.21Å; V172-Q202 PolarHBondContact O-N 3.09Å; K195-Q202 VanDerWaalsContact CE-OE1 3.25Å; K195-Q202 HydrophobicContact CG-CG 4.46Å; I196-Q202 HydrophobicContact CG1-CB 4.31Å; I196-Q202 HydrophobicContact CG1-CG 3.87Å; S199-Q202 PolarHBondContact O-NE2 3Å; G200-Q202 WeakPolarHBondContact O-CG 3.45Å; G200-Q202 PolarHBondContact O-N 3.31Å; G200-Q202 PolarHBondContact O-NE2 2.89Å; Q202-L207 HydrophobicContact CB-CD1 4.22Å
203L86.9Confident86.1Confident94 Ų9447 Ų4749%0.49226%0.261SS..EExtended strand (participates in β ladder)trans-70.1135.6167.9-69.3169.7000110W169 V171 G205 S206W169-L203 WeakPolarHBondContact O-CD2 3.31Å; V171-L203 HydrophobicContact CG2-CD2 3.99Å; L203-G205 VanDerWaalsContact C-N 3.26Å; L203-G205 PolarHBondContact O-N 3.2Å; L203-S206 WeakPolarHBondContact O-CB 3.38Å; L203-S206 PolarHBondContact O-N 3.5Å; L203-S206 PolarHBondContact O-OG 3.2Å
204S85.1Confident86.1Confident0 Ų048.8 Ų48.80%028%0.275CS..G310 helixtrans-54.5-41177.652.90000112.2E167 A168 W170 S206 L207 W311E167-S204 PolarHBondContact O-OG 3.43Å; A168-S204 VanDerWaalsContact CA-OG 3.23Å; A168-S204 WeakPolarHBondContact CA-OG 3.46Å; A168-S204 PolarHBondContact O-OG 3.18Å; W170-S204 PolarHBondContact O-N 3.45Å; W170-S204 PolarHBondContact O-OG 3.12Å; S204-S206 PolarHBondContact O-N 2.78Å; S204-S206 VanDerWaalsContact O-N 3.13Å; S204-L207 PolarHBondContact O-N 2.8Å; S204-L207 VanDerWaalsContact O-N 3.1Å; S204-W311 VanDerWaalsContact O-CZ2 3.29Å; S204-W311 WeakPolarHBondContact O-CZ2 3.48Å; S204-W311 PolarHBondContact O-NE1 3.42Å
205G81.4Confident86.1Confident3 Ų345.3 Ų45.33%0.03126%0.256CS..G310 helixtrans-62.3-15.1175.900000115.4A168 L203 H308A168-G205 WeakPolarHBondContact O-CA 3.46Å; A168-G205 PolarHBondContact O-N 2.88Å; L203-G205 VanDerWaalsContact C-N 3.26Å; L203-G205 PolarHBondContact O-N 3.2Å; G205-H308 PolarHBondContact O-N 2.7Å
206S83.8Confident86.1Confident42 Ų4242.9 Ų42.929%0.29425%0.245SC..G310 helixtrans-92.43.7176.878.70000114K195 L203 S204K195-S206 PolarHBondContact NZ-O 3.21Å; L203-S206 WeakPolarHBondContact O-CB 3.38Å; L203-S206 PolarHBondContact O-N 3.5Å; L203-S206 PolarHBondContact O-OG 3.2Å; S204-S206 PolarHBondContact O-N 2.78Å; S204-S206 VanDerWaalsContact O-N 3.13Å
207L83.8Confident86Confident11 Ų1144.8 Ų44.86%0.05826%0.255CS..SBendtrans-125.6162.9-179.1-59.1175.2000109.7V172 K195 I196 Q202 S204 Y209 V212 W311V172-L207 HydrophobicContact CB-CD1 4.35Å; V172-L207 HydrophobicContact CG2-CD1 4.23Å; K195-L207 HydrophobicContact CD-CD2 4.03Å; I196-L207 HydrophobicContact CD1-CD1 4.03Å; I196-L207 HydrophobicContact CG1-CD1 4.38Å; Q202-L207 HydrophobicContact CB-CD1 4.22Å; S204-L207 PolarHBondContact O-N 2.8Å; S204-L207 VanDerWaalsContact O-N 3.1Å; L207-Y209 PolarHBondContact O-N 3.05Å; L207-V212 HydrophobicContact CB-CG2 3.68Å; L207-V212 HydrophobicContact CD1-CG2 3.99Å; L207-V212 HydrophobicContact CG-CG2 4.49Å; L207-W311 PolarHBondContact O-NE1 3Å
208D84.9Confident85.9Confident47 Ų4743.6 Ų43.625%0.25125%0.246SC..  trans-68.2126.6172.1177.618.7000110.8N210 V211 V212 S310D208-N210 VanDerWaalsContact C-N 3.27Å; D208-N210 PolarHBondContact O-N 2.86Å; D208-N210 PolarHBondContact OD1-N 2.8Å; D208-N210 PolarHBondContact OD1-ND2 2.74Å; D208-V211 HydrophobicContact CB-CB 4.12Å; D208-V211 HydrophobicContact CB-CG2 3.9Å; D208-V211 PolarHBondContact O-N 3.11Å; D208-V211 VanDerWaalsContact O-N 3.12Å; D208-V212 WeakPolarHBondContact O-CG2 3.47Å; D208-V212 PolarHBondContact O-N 2.91Å; D208-S310 VanDerWaalsContact OD1-CB 3.27Å; D208-S310 WeakPolarHBondContact OD1-CB 3.44Å; D208-S310 PolarHBondContact OD1-OG 3.14Å
209Y84.6Confident85.7Confident48 Ų4838.1 Ų38.119%0.18822%0.222CC..Hα-helixtrans-49.8-46.9177.6177.9-95.1000112L207 V211 V212 H213 S310 W311 V314L207-Y209 PolarHBondContact O-N 3.05Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.88Å; Y209-V212 PolarHBondContact O-N 3.44Å; Y209-H213 AromaticContact CD2-NE2 3.91Å; Y209-H213 AromaticContact CE1-NE2 3.96Å; Y209-H213 AromaticContact CE2-CD2 3.88Å; Y209-H213 AromaticContact CE2-CE1 3.93Å; Y209-H213 AromaticContact CE2-NE2 3.27Å; Y209-H213 VanDerWaalsContact CE2-NE2 3.27Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.22Å; Y209-H213 AromaticContact CZ-CD2 3.88Å; Y209-H213 AromaticContact CZ-CE1 3.5Å; Y209-H213 VanDerWaalsContact CZ-CE1 3.5Å; Y209-H213 AromaticContact CZ-NE2 3.3Å; Y209-H213 VanDerWaalsContact CZ-NE2 3.3Å; Y209-H213 PolarHBondContact O-CD2 2.95Å; Y209-H213 VanDerWaalsContact O-CD2 3.27Å; Y209-H213 PolarHBondContact O-N 3.44Å; Y209-H213 PolarHBondContact OH-CE1 3.48Å; Y209-H213 VanDerWaalsContact OH-CE1 3.26Å; Y209-H213 PolarHBondContact OH-NE2 3.24Å; Y209-S310 PolarHBondContact N-OG 3Å; Y209-W311 HydrophobicContact CD2-CD2 4.23Å; Y209-W311 AromaticContact CD2-CE3 3.99Å; Y209-W311 HydrophobicContact CD2-CE3 3.99Å; Y209-W311 AromaticContact CD2-CH2 3.72Å; Y209-W311 HydrophobicContact CD2-CH2 3.72Å; Y209-W311 AromaticContact CD2-CZ2 3.94Å; Y209-W311 HydrophobicContact CD2-CZ2 3.94Å; Y209-W311 AromaticContact CD2-CZ3 3.74Å; Y209-W311 HydrophobicContact CD2-CZ3 3.74Å; Y209-W311 HydrophobicContact CE2-CH2 4.35Å; Y209-W311 HydrophobicContact CE2-CZ3 4.18Å; Y209-V314 HydrophobicContact CD1-CG2 4.08Å; Y209-V314 HydrophobicContact CD2-CG1 4.21Å; Y209-V314 HydrophobicContact CD2-CG2 3.69Å; Y209-V314 HydrophobicContact CE1-CG2 4.25Å; Y209-V314 HydrophobicContact CE2-CB 4.46Å; Y209-V314 HydrophobicContact CE2-CG1 3.68Å; Y209-V314 HydrophobicContact CE2-CG2 3.87Å; Y209-V314 HydrophobicContact CG-CG2 3.8Å
210N86.1Confident85.8Confident105 Ų10534.9 Ų34.956%0.56120%0.198SC*.Hα-helixtrans-67.2-36.7-177.5-58-64.2000112D208 S214D208-N210 VanDerWaalsContact C-N 3.27Å; D208-N210 PolarHBondContact O-N 2.86Å; D208-N210 PolarHBondContact OD1-N 2.8Å; D208-N210 PolarHBondContact OD1-ND2 2.74Å; N210-S214 WeakPolarHBondContact O-CB 3.26Å; N210-S214 PolarHBondContact O-N 3.41Å
211V86.8Confident85.9Confident11 Ų1134 Ų347%0.06719%0.188CC..Hα-helixtrans-68.6-43.4176.3175.90000110.6P188 E189 A192 D208 Y209 S214 L215P188-V211 HydrophobicContact CB-CG2 3.94Å; P188-V211 HydrophobicContact CG-CG2 4.31Å; E189-V211 HydrophobicContact CG-CG1 4.08Å; A192-V211 HydrophobicContact CB-CG1 3.63Å; D208-V211 HydrophobicContact CB-CB 4.12Å; D208-V211 HydrophobicContact CB-CG2 3.9Å; D208-V211 PolarHBondContact O-N 3.11Å; D208-V211 VanDerWaalsContact O-N 3.12Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 2.88Å; V211-S214 PolarHBondContact O-N 2.87Å; V211-L215 HydrophobicContact CG1-CD1 3.87Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.43Å; V211-L215 VanDerWaalsContact O-CG 3.26Å; V211-L215 WeakPolarHBondContact O-CG 3.24Å; V211-L215 PolarHBondContact O-N 2.85Å
212V86.7Confident86Confident1 Ų130.8 Ų30.81%0.00617%0.166CC..Hα-helixtrans-60.7-46.3175.2176.70000110.6I166 V172 L207 D208 Y209 L215 Y216 I221 L223I166-V212 HydrophobicContact CD1-CG1 3.8Å; V172-V212 HydrophobicContact CG2-CG1 4.17Å; V172-V212 HydrophobicContact CG2-CG2 4.46Å; L207-V212 HydrophobicContact CB-CG2 3.68Å; L207-V212 HydrophobicContact CD1-CG2 3.99Å; L207-V212 HydrophobicContact CG-CG2 4.49Å; D208-V212 WeakPolarHBondContact O-CG2 3.47Å; D208-V212 PolarHBondContact O-N 2.91Å; Y209-V212 PolarHBondContact O-N 3.44Å; V212-L215 PolarHBondContact O-N 2.73Å; V212-Y216 WeakPolarHBondContact O-CB 3.5Å; V212-Y216 PolarHBondContact O-N 3.29Å; V212-I221 HydrophobicContact CG1-CD1 3.95Å; V212-I221 WeakPolarHBondContact O-CD1 3.37Å; V212-L223 HydrophobicContact CG1-CD2 4.42Å
213H86.9Confident86.1Confident10 Ų1029.7 Ų29.75%0.04616%0.16CC..Hα-helixtrans-61.9-44.4176.3-82.3-123.2000112.3I164 Y209 Y216 N217I164-H213 PolarHBondContact O-CE1 3.06Å; Y209-H213 AromaticContact CD2-NE2 3.91Å; Y209-H213 AromaticContact CE1-NE2 3.96Å; Y209-H213 AromaticContact CE2-CD2 3.88Å; Y209-H213 AromaticContact CE2-CE1 3.93Å; Y209-H213 AromaticContact CE2-NE2 3.27Å; Y209-H213 VanDerWaalsContact CE2-NE2 3.27Å; Y209-H213 WeakPolarHBondContact CE2-NE2 3.22Å; Y209-H213 AromaticContact CZ-CD2 3.88Å; Y209-H213 AromaticContact CZ-CE1 3.5Å; Y209-H213 VanDerWaalsContact CZ-CE1 3.5Å; Y209-H213 AromaticContact CZ-NE2 3.3Å; Y209-H213 VanDerWaalsContact CZ-NE2 3.3Å; Y209-H213 PolarHBondContact O-CD2 2.95Å; Y209-H213 VanDerWaalsContact O-CD2 3.27Å; Y209-H213 PolarHBondContact O-N 3.44Å; Y209-H213 PolarHBondContact OH-CE1 3.48Å; Y209-H213 VanDerWaalsContact OH-CE1 3.26Å; Y209-H213 PolarHBondContact OH-NE2 3.24Å; H213-Y216 PolarHBondContact O-N 3.32Å; H213-N217 VanDerWaalsContact O-CB 3.31Å; H213-N217 WeakPolarHBondContact O-CB 3.45Å; H213-N217 PolarHBondContact O-N 3.45Å; H213-N217 PolarHBondContact O-ND2 3.37Å; H213-N217 PolarHBondContact O-OD1 3.38Å
214S87.8Confident86.2Confident42 Ų4228 Ų2829%0.29415%0.152SC..Hα-helixtrans-63.4-44.6177.6-173.60000112.5E189 N210 V211 Y216 N217 K218E189-S214 WeakPolarHBondContact OE1-CB 3.45Å; E189-S214 PolarHBondContact OE1-OG 2.92Å; N210-S214 WeakPolarHBondContact O-CB 3.26Å; N210-S214 PolarHBondContact O-N 3.41Å; V211-S214 PolarHBondContact O-N 2.87Å; S214-Y216 VanDerWaalsContact C-N 3.35Å; S214-Y216 PolarHBondContact O-N 3.08Å; S214-N217 PolarHBondContact O-N 2.89Å; S214-K218 WeakPolarHBondContact O-CB 3.3Å; S214-K218 VanDerWaalsContact O-CG 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å; S214-K218 PolarHBondContact O-N 3.45Å
215L87.4Confident86.4Confident1 Ų128.1 Ų28.11%0.00515%0.153CC..Hα-helixtrans-64.1-37.6176.8-71.5176.2000112.4E189 A192 I193 V211 V212 K218 G219 F220 I221E189-L215 HydrophobicContact CB-CD2 3.92Å; E189-L215 HydrophobicContact CB-CG 4.47Å; E189-L215 HydrophobicContact CG-CD2 4.02Å; E189-L215 HydrophobicContact CG-CG 4.22Å; A192-L215 HydrophobicContact CB-CD1 4Å; I193-L215 HydrophobicContact CD1-CD2 3.67Å; I193-L215 HydrophobicContact CG1-CD1 4.21Å; I193-L215 HydrophobicContact CG1-CD2 3.85Å; V211-L215 HydrophobicContact CG1-CD1 3.87Å; V211-L215 HydrophobicContact CG1-CG 4.25Å; V211-L215 WeakPolarHBondContact O-CB 3.43Å; V211-L215 VanDerWaalsContact O-CG 3.26Å; V211-L215 WeakPolarHBondContact O-CG 3.24Å; V211-L215 PolarHBondContact O-N 2.85Å; V212-L215 PolarHBondContact O-N 2.73Å; L215-K218 PolarHBondContact O-N 3.35Å; L215-G219 PolarHBondContact O-N 3.2Å; L215-F220 HydrophobicContact CD2-CB 4.31Å; L215-F220 HydrophobicContact CD2-CD2 4.05Å; L215-F220 PolarHBondContact O-N 2.85Å; L215-I221 HydrophobicContact CB-CD1 3.8Å; L215-I221 HydrophobicContact CB-CG1 3.82Å; L215-I221 HydrophobicContact CB-CG2 4.17Å; L215-I221 HydrophobicContact CD1-CG2 4.34Å
216Y87.6Confident86.7Confident28 Ų2830.5 Ų30.511%0.1117%0.168CC..Hα-helixtrans-67.2-46175.1-176-99.9000111.4I164 V212 H213 S214 K218 G219 L223I164-Y216 HydrophobicContact CD1-CD1 3.98Å; I164-Y216 HydrophobicContact CD1-CE1 3.42Å; I164-Y216 VanDerWaalsContact CD1-CE1 3.42Å; I164-Y216 HydrophobicContact CD1-CE2 4.2Å; I164-Y216 HydrophobicContact CG1-CD1 4.18Å; I164-Y216 HydrophobicContact CG1-CE1 3.86Å; V212-Y216 WeakPolarHBondContact O-CB 3.5Å; V212-Y216 PolarHBondContact O-N 3.29Å; H213-Y216 PolarHBondContact O-N 3.32Å; S214-Y216 VanDerWaalsContact C-N 3.35Å; S214-Y216 PolarHBondContact O-N 3.08Å; Y216-K218 PolarHBondContact O-N 3.2Å; Y216-G219 WeakPolarHBondContact O-CA 3.31Å; Y216-G219 PolarHBondContact O-N 2.98Å; Y216-L223 HydrophobicContact CD2-CD1 3.8Å; Y216-L223 HydrophobicContact CD2-CG 3.97Å; Y216-L223 HydrophobicContact CE2-CD1 3.84Å; Y216-L223 HydrophobicContact CE2-CG 4.12Å; Y216-L223 HydrophobicContact CG-CD1 4.41Å
217N85.8Confident86.9Confident46 Ų4629.3 Ų29.325%0.24616%0.158CC..Hα-helixtrans-65-24.3178.1-69.4-10.1000113P161 H213 S214P161-N217 HydrophobicContact CG-CB 4.46Å; H213-N217 VanDerWaalsContact O-CB 3.31Å; H213-N217 WeakPolarHBondContact O-CB 3.45Å; H213-N217 PolarHBondContact O-N 3.45Å; H213-N217 PolarHBondContact O-ND2 3.37Å; H213-N217 PolarHBondContact O-OD1 3.38Å; S214-N217 PolarHBondContact O-N 2.89Å
218K84.9Confident87.1Confident76 Ų7631.5 Ų31.533%0.3317%0.174SC..THydrogen-bonded Turntrans-84.7-10.6170.2-69.2173.5-177.5-176.50113.7E189 S214 L215 Y216 F220E189-K218 VanDerWaalsContact OE1-CE 3.27Å; E189-K218 WeakPolarHBondContact OE1-CE 3.45Å; E189-K218 IonicContact OE1-NZ 3.65Å; E189-K218 PolarHBondContact OE1-NZ 3.09Å; E189-K218 IonicContact OE2-NZ 2.71Å; E189-K218 PolarHBondContact OE2-NZ 2.88Å; S214-K218 WeakPolarHBondContact O-CB 3.3Å; S214-K218 VanDerWaalsContact O-CG 3.29Å; S214-K218 WeakPolarHBondContact O-CG 3.49Å; S214-K218 PolarHBondContact O-N 3.45Å; L215-K218 PolarHBondContact O-N 3.35Å; Y216-K218 PolarHBondContact O-N 3.2Å; K218-F220 VanDerWaalsContact C-N 3.32Å; K218-F220 HydrophobicContact CB-CD1 4.23Å; K218-F220 HydrophobicContact CB-CD2 3.74Å; K218-F220 HydrophobicContact CB-CE1 4.21Å; K218-F220 HydrophobicContact CB-CE2 3.73Å; K218-F220 HydrophobicContact CB-CG 4Å; K218-F220 HydrophobicContact CB-CZ 3.96Å; K218-F220 HydrophobicContact CD-CD2 4.08Å; K218-F220 HydrophobicContact CD-CE2 3.67Å; K218-F220 HydrophobicContact CD-CZ 4.38Å; K218-F220 HydrophobicContact CG-CE2 4.23Å; K218-F220 WeakPolarHBondContact O-CD1 3.08Å
219G83.2Confident87.3Confident22 Ų2231.9 Ų31.923%0.22718%0.176CC..THydrogen-bonded Turntrans74.215.9-17800000114.9L215 Y216L215-G219 PolarHBondContact O-N 3.2Å; Y216-G219 WeakPolarHBondContact O-CA 3.31Å; Y216-G219 PolarHBondContact O-N 2.98Å
220F86.3Confident87.4Confident12 Ų1236 Ų365%0.05320%0.201CC..SBendtrans-83.3-17.1-177.7-60.1-20.5000113.1G175 I177 D181 C185 I193 L215 K218G175-F220 PolarHBondContact N-O 2.83Å; I177-F220 HydrophobicContact CD1-CB 4.2Å; I177-F220 HydrophobicContact CG1-CB 4.18Å; D181-F220 HydrophobicContact CB-CD1 4.36Å; D181-F220 HydrophobicContact CB-CE1 3.65Å; D181-F220 HydrophobicContact CB-CE2 4.39Å; D181-F220 HydrophobicContact CB-CZ 3.67Å; D181-F220 WeakPolarHBondContact OD1-CE1 3.36Å; C185-F220 WeakPolarHBondContact SG-CE2 3.47Å; I193-F220 HydrophobicContact CD1-CD2 4.48Å; L215-F220 HydrophobicContact CD2-CB 4.31Å; L215-F220 HydrophobicContact CD2-CD2 4.05Å; L215-F220 PolarHBondContact O-N 2.85Å; K218-F220 VanDerWaalsContact C-N 3.32Å; K218-F220 HydrophobicContact CB-CD1 4.23Å; K218-F220 HydrophobicContact CB-CD2 3.74Å; K218-F220 HydrophobicContact CB-CE1 4.21Å; K218-F220 HydrophobicContact CB-CE2 3.73Å; K218-F220 HydrophobicContact CB-CG 4Å; K218-F220 HydrophobicContact CB-CZ 3.96Å; K218-F220 HydrophobicContact CD-CD2 4.08Å; K218-F220 HydrophobicContact CD-CE2 3.67Å; K218-F220 HydrophobicContact CD-CZ 4.38Å; K218-F220 HydrophobicContact CG-CE2 4.23Å; K218-F220 WeakPolarHBondContact O-CD1 3.08Å
221I89.2Confident87.4Confident4 Ų431.1 Ų31.12%0.02118%0.175CC..EExtended strand (participates in β ladder)trans-126.3160.5173.160.1169.7000110.7V172 Q173 I196 V212 L215 L223V172-I221 HydrophobicContact CG1-CB 3.87Å; V172-I221 HydrophobicContact CG1-CD1 3.62Å; V172-I221 HydrophobicContact CG1-CG1 4.32Å; V172-I221 HydrophobicContact CG1-CG2 3.82Å; Q173-I221 CarbonylContact O-C 3.56Å; Q173-I221 VanDerWaalsContact O-CA 3.25Å; Q173-I221 WeakPolarHBondContact O-CA 3.35Å; Q173-I221 WeakPolarHBondContact O-CB 3.28Å; I196-I221 HydrophobicContact CD1-CG2 4.29Å; V212-I221 HydrophobicContact CG1-CD1 3.95Å; V212-I221 WeakPolarHBondContact O-CD1 3.37Å; L215-I221 HydrophobicContact CB-CD1 3.8Å; L215-I221 HydrophobicContact CB-CG1 3.82Å; L215-I221 HydrophobicContact CB-CG2 4.17Å; L215-I221 HydrophobicContact CD1-CG2 4.34Å; I221-L223 HydrophobicContact CD1-CD2 4.48Å
222Y89.8Confident87.4Confident12 Ų1232.2 Ų32.25%0.04718%0.183CC..EExtended strand (participates in β ladder)trans-126.8162.2160.664-86.7000110.6D84 V87 K88 Q173 A174D84-Y222 WeakPolarHBondContact CA-OH 3.26Å; V87-Y222 HydrophobicContact CB-CD1 3.77Å; V87-Y222 HydrophobicContact CB-CE1 4.28Å; V87-Y222 HydrophobicContact CB-CG 4.35Å; V87-Y222 HydrophobicContact CG1-CD1 3.79Å; V87-Y222 HydrophobicContact CG1-CG 4.49Å; V87-Y222 HydrophobicContact CG2-CD1 4.17Å; V87-Y222 HydrophobicContact CG2-CG 4.24Å; K88-Y222 HydrophobicContact CD-CE1 4.19Å; K88-Y222 VanDerWaalsContact CE-OH 3.25Å; K88-Y222 WeakPolarHBondContact CE-OH 3.48Å; K88-Y222 HydrophobicContact CG-CE1 3.97Å; K88-Y222 PolarHBondContact NZ-OH 3.39Å; Q173-Y222 HydrophobicContact CB-CD1 4.37Å; Q173-Y222 HydrophobicContact CB-CD2 4.29Å; Q173-Y222 HydrophobicContact CB-CE1 3.88Å; Q173-Y222 HydrophobicContact CB-CE2 3.77Å; Q173-Y222 HydrophobicContact CG-CE2 4.19Å; Q173-Y222 PolarHBondContact N-O 3.03Å; Q173-Y222 PolarHBondContact O-N 2.78Å; Q173-Y222 PolarHBondContact OE1-OH 3.08Å; A174-Y222 WeakPolarHBondContact O-CE1 3.41Å
223L89.9Confident87.4Confident8 Ų832.4 Ų32.44%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-110.8124.7-172.5-57.2169.3000109.2I164 I166 W170 V172 V212 Y216 I221 R291I164-L223 HydrophobicContact CD1-CD1 3.72Å; I166-L223 HydrophobicContact CD1-CD1 3.6Å; I166-L223 HydrophobicContact CD1-CD2 4.36Å; I166-L223 HydrophobicContact CG1-CD1 3.81Å; I166-L223 HydrophobicContact CG2-CD1 4.33Å; I166-L223 HydrophobicContact CG2-CD2 4.42Å; W170-L223 HydrophobicContact CE3-CB 4.16Å; W170-L223 HydrophobicContact CE3-CD1 3.95Å; W170-L223 HydrophobicContact CZ3-CD1 4.01Å; V172-L223 HydrophobicContact CG2-CD2 4Å; V212-L223 HydrophobicContact CG1-CD2 4.42Å; Y216-L223 HydrophobicContact CD2-CD1 3.8Å; Y216-L223 HydrophobicContact CD2-CG 3.97Å; Y216-L223 HydrophobicContact CE2-CD1 3.84Å; Y216-L223 HydrophobicContact CE2-CG 4.12Å; Y216-L223 HydrophobicContact CG-CD1 4.41Å; I221-L223 HydrophobicContact CD1-CD2 4.48Å; L223-R291 PolarHBondContact O-NH1 3.31Å; L223-R291 PolarHBondContact O-NH2 2.99Å
224D88.5Confident87.4Confident59 Ų5931.9 Ų31.932%0.31618%0.182SC..EExtended strand (participates in β ladder)trans-102.4147.8169.9-159.25.5000110.8V171 R291V171-D224 HydrophobicContact CB-CB 4.29Å; V171-D224 PolarHBondContact N-O 2.95Å; V171-D224 PolarHBondContact O-N 2.76Å; D224-R291 IonicContact OD1-NH2 3.24Å; D224-R291 PolarHBondContact OD1-NH2 3.44Å
225V89.2Confident87.2Confident2 Ų231 Ų311%0.01218%0.175CC..  trans-130.385-170.1175.80000107.1W169 W170 I227 S287 C290 R291W169-V225 HydrophobicContact CH2-CG1 3.42Å; W169-V225 VanDerWaalsContact CH2-CG1 3.42Å; W169-V225 HydrophobicContact CZ2-CG1 3.99Å; W169-V225 HydrophobicContact CZ3-CG1 4.05Å; W170-V225 HydrophobicContact CB-CG2 4.44Å; W170-V225 HydrophobicContact CD2-CG2 3.6Å; W170-V225 HydrophobicContact CE3-CG2 4.04Å; W170-V225 HydrophobicContact CG-CG2 3.77Å; W170-V225 HydrophobicContact CZ2-CG2 4.41Å; V225-I227 PolarHBondContact O-N 3.09Å; V225-S287 WeakPolarHBondContact CB-OG 3.39Å; V225-S287 PolarHBondContact O-OG 3.42Å; V225-C290 HydrophobicContact CG1-CB 3.92Å; V225-R291 HydrophobicContact CB-CG 4.21Å; V225-R291 HydrophobicContact CG2-CG 3.73Å
226P87Confident87Confident54 Ų5431.8 Ų31.835%0.35118%0.18SC..  trans-81.7116.8-161.630.5-36.5000113.5W169 V171W169-P226 HydrophobicContact CE3-CG 4.3Å; W169-P226 HydrophobicContact CZ3-CG 4.18Å; W169-P226 WeakPolarHBondContact CZ3-O 3.39Å; V171-P226 HydrophobicContact CG2-CG 3.92Å
227I88.9Confident86.6Confident16 Ų1632 Ų328%0.08218%0.184CC..  trans-98.1112.6-179.9-52.8-54.7000110.8W169 V225 V268 K283 V286W169-I227 HydrophobicContact CH2-CD1 4.05Å; V225-I227 PolarHBondContact O-N 3.09Å; I227-V268 HydrophobicContact CG2-CB 4.4Å; I227-V268 HydrophobicContact CG2-CG1 4.29Å; I227-V268 HydrophobicContact CG2-CG2 3.83Å; I227-K283 HydrophobicContact CB-CB 4.34Å; I227-K283 HydrophobicContact CB-CG 4.17Å; I227-K283 HydrophobicContact CG2-CG 4.15Å; I227-K283 WeakPolarHBondContact O-CD 3.43Å; I227-K283 VanDerWaalsContact O-CE 3.22Å; I227-K283 WeakPolarHBondContact O-CE 3.41Å; I227-V286 HydrophobicContact CD1-CG1 3.83Å; I227-V286 HydrophobicContact CG1-CB 4.32Å; I227-V286 HydrophobicContact CG1-CG1 3.89Å; I227-V286 HydrophobicContact CG2-CB 4.39Å; I227-V286 HydrophobicContact CG2-CG1 3.9Å
228S87.5Confident86.4Confident58 Ų5830 Ų3041%0.40617%0.174SC..  trans-72151.5171.2-33.70000110.8D230 S231 K297S228-D230 VanDerWaalsContact C-N 3.35Å; S228-D230 PolarHBondContact O-N 3.49Å; S228-S231 WeakPolarHBondContact CA-OG 3.23Å; S228-S231 WeakPolarHBondContact CB-OG 3.31Å; S228-S231 PolarHBondContact N-OG 3.2Å; S228-S231 VanDerWaalsContact N-OG 3.15Å; S228-S231 VanDerWaalsContact O-CB 3.25Å; S228-S231 WeakPolarHBondContact O-CB 3.2Å; S228-S231 PolarHBondContact O-N 3.4Å; S228-S231 VanDerWaalsContact O-N 3.14Å; S228-S231 PolarHBondContact O-OG 3.46Å; S228-K297 PolarHBondContact OG-NZ 2.86Å; S228-K297 VanDerWaalsContact OG-NZ 3.07Å
229D89.5Confident85.6Confident55 Ų5533.4 Ų33.429%0.29419%0.191SC..THydrogen-bonded Turntrans-59.2-43180-63.2-70.6000113S231 V268 A269 L279 K283D229-S231 PolarHBondContact O-N 2.95Å; D229-V268 PolarHBondContact O-N 2.62Å; D229-V268 VanDerWaalsContact O-N 3.16Å; D229-A269 HydrophobicContact CB-CB 4.29Å; D229-A269 PolarHBondContact O-N 3.06Å; D229-A269 VanDerWaalsContact O-N 3.17Å; D229-L279 VanDerWaalsContact OD1-CD2 3.32Å; D229-L279 WeakPolarHBondContact OD1-CD2 3.48Å; D229-K283 WeakPolarHBondContact OD1-CE 3.22Å; D229-K283 IonicContact OD1-NZ 3.28Å; D229-K283 PolarHBondContact OD1-NZ 3.23Å; D229-K283 IonicContact OD2-NZ 2.82Å; D229-K283 PolarHBondContact OD2-NZ 3.25Å
230D87.3Confident84.9Confident133 Ų13335.7 Ų35.771%0.71122%0.215SC*.THydrogen-bonded Turntrans-80.910.9179.5-38.3-82.4000113.5S228 C232S228-D230 VanDerWaalsContact C-N 3.35Å; S228-D230 PolarHBondContact O-N 3.49Å; D230-C232 PolarHBondContact O-N 3.43Å
231S85.8Confident84.5Confident3 Ų336.1 Ų36.12%0.02122%0.217CC..  trans-72.5119179.4-50.10000110.5S228 D229 N267 V268 K297S228-S231 WeakPolarHBondContact CA-OG 3.23Å; S228-S231 WeakPolarHBondContact CB-OG 3.31Å; S228-S231 PolarHBondContact N-OG 3.2Å; S228-S231 VanDerWaalsContact N-OG 3.15Å; S228-S231 VanDerWaalsContact O-CB 3.25Å; S228-S231 WeakPolarHBondContact O-CB 3.2Å; S228-S231 PolarHBondContact O-N 3.4Å; S228-S231 VanDerWaalsContact O-N 3.14Å; S228-S231 PolarHBondContact O-OG 3.46Å; D229-S231 PolarHBondContact O-N 2.95Å; S231-N267 WeakPolarHBondContact O-CA 3.03Å; S231-V268 WeakPolarHBondContact O-CG2 3.37Å; S231-V268 PolarHBondContact O-N 2.77Å; S231-K297 WeakPolarHBondContact OG-CE 3.32Å; S231-K297 PolarHBondContact OG-NZ 3.21Å
232C86.8Confident83.9Confident34 Ų3436.9 Ų36.923%0.2322%0.222CC..BIsolated β-bridgetrans-82.9141162.3-61.90000110.3D230 E264 K298D230-C232 PolarHBondContact O-N 3.43Å; C232-E264 WeakPolarHBondContact CB-O 2.99Å; C232-K298 HydrophobicContact CB-CB 4.26Å; C232-K298 PolarHBondContact O-N 2.57Å
233I87.2Confident83.2Confident5 Ų540.1 Ų40.13%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-127.3134.4-170.4-55.8-64.8000109V268 V286 A295 K297I233-V268 HydrophobicContact CG1-CG2 4.04Å; I233-V286 HydrophobicContact CD1-CG1 3.48Å; I233-V286 VanDerWaalsContact CD1-CG1 3.48Å; I233-V286 HydrophobicContact CG1-CG1 3.6Å; I233-V286 HydrophobicContact CG2-CG1 4.29Å; I233-A295 HydrophobicContact CG2-CB 3.69Å; I233-K297 HydrophobicContact CD1-CB 4.29Å
234A85.1Confident82.7Confident0 Ų040.5 Ų40.50%024%0.24CC..EExtended strand (participates in β ladder)trans-120.1128.4-177.200000110.8P236 E264 A295 H296A234-P236 WeakPolarHBondContact O-CD 3.37Å; A234-E264 HydrophobicContact CB-CG 3.78Å; A234-E264 VanDerWaalsContact CB-OE1 3.26Å; A234-E264 WeakPolarHBondContact CB-OE1 3.46Å; A234-A295 WeakPolarHBondContact O-CA 3.24Å; A234-H296 WeakPolarHBondContact CB-CE1 3.48Å; A234-H296 PolarHBondContact N-O 3Å; A234-H296 PolarHBondContact O-N 3.12Å; A234-H296 PolarHBondContact O-ND1 3.22Å
235V85.1Confident81.5Confident23 Ų2349 Ų4914%0.13927%0.268CS..  trans-103102.6-179.41730000108.1I262 A295 V409V235-I262 HydrophobicContact CG2-CB 4.44Å; V235-I262 HydrophobicContact CG2-CD1 4.09Å; V235-I262 HydrophobicContact CG2-CG2 3.88Å; V235-A295 HydrophobicContact CG2-CB 3.98Å; V235-V409 HydrophobicContact CG1-CG1 4.3Å; V235-V409 HydrophobicContact CG1-CG2 4.27Å
236P81.9Confident80.1Confident18 Ų1851.8 Ų51.812%0.11729%0.285CS..  trans-70.5168.8173.733.1-37.6000111.3A234 L238 K321A234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-L238 PolarHBondContact O-N 2.87Å; P236-K321 VanDerWaalsContact CG-NZ 3.3Å
237P79.6Confident78.9Confident31 Ų3157.3 Ų57.320%0.20131%0.306CS..  trans-49.5135.9166.9-2735.5000112.2E239 T405P237-E239 PolarHBondContact O-N 2.91Å; P237-T405 WeakPolarHBondContact CA-OG1 3.33Å
238L80.9Confident77.3Confident5 Ų558.6 Ų58.63%0.02632%0.323CS..  trans-80.3106.8-176-64.3-175.9000111.2P236 F241 F294 T405 E408 V409P236-L238 PolarHBondContact O-N 2.87Å; L238-F241 HydrophobicContact CB-CB 4.19Å; L238-F241 HydrophobicContact CD1-CB 4.42Å; L238-F241 HydrophobicContact CD1-CD2 3.78Å; L238-F241 HydrophobicContact CD1-CE2 4.25Å; L238-F241 HydrophobicContact CD1-CG 4.13Å; L238-F294 HydrophobicContact CD2-CB 4.03Å; L238-F294 HydrophobicContact CD2-CD1 3.94Å; L238-F294 HydrophobicContact CD2-CG 4.11Å; L238-T405 HydrophobicContact CG-CG2 4.46Å; L238-T405 PolarHBondContact N-OG1 2.78Å; L238-E408 HydrophobicContact CD1-CB 4.3Å; L238-V409 HydrophobicContact CD1-CG2 3.5Å; L238-V409 HydrophobicContact CG-CG2 3.94Å
239E69.9Low76.5Confident147 Ų14756.9 Ų56.969%0.68731%0.309SS*.SBendtrans-91.6135.8170.3-68.8170.8-151.800110.4P237 F241P237-E239 PolarHBondContact O-N 2.91Å; E239-F241 VanDerWaalsContact C-N 3.26Å; E239-F241 PolarHBondContact O-N 3.4Å
240G66.9Low76Confident71 Ų7158 Ų5873%0.73231%0.31SS*.SBendtrans67.413.2173.900000116.8
241F79.2Confident75.8Confident21 Ų2153 Ų539%0.09228%0.281CS..  trans-60.5141.3-178.2-169.6-89.2000112.9N117 F118 L238 E239 M243 F259 F294 V404 E408N117-F241 HydrophobicContact CB-CE1 4.31Å; N117-F241 HydrophobicContact CB-CZ 4.24Å; F118-F241 HydrophobicContact CE1-CE2 4.35Å; L238-F241 HydrophobicContact CB-CB 4.19Å; L238-F241 HydrophobicContact CD1-CB 4.42Å; L238-F241 HydrophobicContact CD1-CD2 3.78Å; L238-F241 HydrophobicContact CD1-CE2 4.25Å; L238-F241 HydrophobicContact CD1-CG 4.13Å; E239-F241 VanDerWaalsContact C-N 3.26Å; E239-F241 PolarHBondContact O-N 3.4Å; F241-M243 HydrophobicContact CD1-CG 3.78Å; F241-M243 HydrophobicContact CE1-CG 4.17Å; F241-F259 HydrophobicContact CE2-CE2 4.46Å; F241-F294 HydrophobicContact CD2-CD1 4.45Å; F241-F294 HydrophobicContact CD2-CD2 4.5Å; F241-F294 AromaticContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE1 3.77Å; F241-F294 AromaticContact CD2-CE2 3.82Å; F241-F294 HydrophobicContact CD2-CE2 3.82Å; F241-F294 AromaticContact CD2-CZ 3.41Å; F241-F294 HydrophobicContact CD2-CZ 3.41Å; F241-F294 VanDerWaalsContact CD2-CZ 3.41Å; F241-F294 HydrophobicContact CE2-CD2 4.27Å; F241-F294 HydrophobicContact CE2-CE1 4.4Å; F241-F294 AromaticContact CE2-CE2 3.59Å; F241-F294 HydrophobicContact CE2-CE2 3.59Å; F241-F294 AromaticContact CE2-CZ 3.67Å; F241-F294 HydrophobicContact CE2-CZ 3.67Å; F241-V404 HydrophobicContact CB-CG1 4.15Å; F241-E408 HydrophobicContact CD1-CG 3.88Å; F241-E408 HydrophobicContact CE1-CB 4.24Å; F241-E408 HydrophobicContact CE1-CG 3.7Å; F241-E408 WeakPolarHBondContact CE1-OE2 3.46Å; F241-E408 HydrophobicContact CZ-CG 4.47Å
242V76.3Confident75.9Confident20 Ų2053 Ų5312%0.12128%0.282CS..  trans-100.197.4-173.6-173.40000110.5Y112 A120 L124 N244Y112-V242 HydrophobicContact CE1-CG1 4Å; A120-V242 HydrophobicContact CB-CB 4.23Å; A120-V242 HydrophobicContact CB-CG1 3.63Å; L124-V242 HydrophobicContact CD2-CG2 3.77Å; V242-N244 PolarHBondContact O-N 3.44Å
243M74.3Confident75.8Confident79 Ų7954.9 Ų54.939%0.38929%0.292SS..  trans-88.198.1176.7-57.6-175.1-63.700111.1F241 M391 V404 F407 E408F241-M243 HydrophobicContact CD1-CG 3.78Å; F241-M243 HydrophobicContact CE1-CG 4.17Å; M243-M391 HydrophobicContact CE-SD 4.43Å; M243-V404 HydrophobicContact CE-CG2 3.86Å; M243-V404 HydrophobicContact SD-CG1 4.02Å; M243-V404 HydrophobicContact SD-CG2 4.18Å; M243-F407 HydrophobicContact SD-CD1 4.43Å; M243-E408 HydrophobicContact CG-CG 3.97Å; M243-E408 WeakPolarHBondContact CG-OE1 3.48Å; M243-E408 HydrophobicContact SD-CG 3.88Å
244N79.2Confident75.9Confident16 Ų1655 Ų559%0.08629%0.292CS..  trans-95168.3164.7-69.8-21.1000110.3Y112 L115 N117 V242Y112-N244 PolarHBondContact O-ND2 3.39Å; L115-N244 VanDerWaalsContact O-CB 3.3Å; L115-N244 WeakPolarHBondContact O-CB 3.45Å; L115-N244 PolarHBondContact O-ND2 2.62Å; N117-N244 VanDerWaalsContact OD1-CA 3.31Å; N117-N244 WeakPolarHBondContact OD1-CA 3.42Å; N117-N244 VanDerWaalsContact OD1-CB 3.29Å; N117-N244 WeakPolarHBondContact OD1-CB 3.26Å; N117-N244 PolarHBondContact OD1-N 3.45Å; N117-N244 PolarHBondContact OD1-O 3.34Å; V242-N244 PolarHBondContact O-N 3.44Å
245R64.6Low76.1Confident239 Ų23955 Ų5590%0.90229%0.293SS*.SBendtrans-96.617.3-171.4-67.3-176.4173.4-177.5-3.6114.4
246V59.9Low76.2Confident60 Ų6056.1 Ų56.136%0.36429%0.294SS..  trans-129.8113.3-170.6-179.10000110.4D113D113-V246 WeakPolarHBondContact O-CG2 3.37Å
247Q60.2Low76.5Confident170 Ų17057.1 Ų57.179%0.79430%0.297SS*.  trans-78.9114163.9-67.9176.4-12.900108.2E252Q247-E252 WeakPolarHBondContact CA-OE2 3.11Å
248G56.8Low77Confident43 Ų4355.7 Ų55.744%0.44329%0.288SS..  trans-95.9-49.6-167.400000115.3E252G248-E252 PolarHBondContact N-OE2 2.97Å
249D70Confident77.4Confident21 Ų2155.5 Ų55.511%0.11229%0.287CS..  trans-143174.2-166.379.136.2000116.6M76 F251 E252 T253M76-D249 WeakPolarHBondContact CB-OD2 3.45Å; M76-D249 HydrophobicContact CE-CB 4.08Å; M76-D249 HydrophobicContact CG-CB 4.23Å; M76-D249 WeakPolarHBondContact CG-OD2 3.42Å; D249-F251 VanDerWaalsContact C-N 3.31Å; D249-F251 PolarHBondContact O-N 2.67Å; D249-F251 WeakPolarHBondContact OD1-CA 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.16Å; D249-F251 PolarHBondContact OD1-N 3.4Å; D249-E252 PolarHBondContact OD1-N 3.12Å; D249-T253 PolarHBondContact O-N 3.08Å; D249-T253 VanDerWaalsContact O-N 3.09Å; D249-T253 PolarHBondContact O-OG1 2.93Å
250Y78.4Confident78.1Confident79 Ų7949 Ų4931%0.3126%0.257SS..Hα-helixtrans-64.7-32.4-179.5170.5-97000112.9N44 L254N44-Y250 WeakPolarHBondContact OD1-CD1 3.4Å; N44-Y250 VanDerWaalsContact OD1-CG 3.32Å; Y250-L254 WeakPolarHBondContact O-CB 3.33Å; Y250-L254 PolarHBondContact O-N 3.34Å
251F84.8Confident79Confident27 Ų2745.8 Ų45.812%0.11822%0.223CC..Hα-helixtrans-78.9-38.5-178.9-168.4-104.9000111.2L77 D249 T253 L254 L255 A285 M288L77-F251 HydrophobicContact CD2-CD1 3.8Å; L77-F251 HydrophobicContact CD2-CE1 3.71Å; D249-F251 VanDerWaalsContact C-N 3.31Å; D249-F251 PolarHBondContact O-N 2.67Å; D249-F251 WeakPolarHBondContact OD1-CA 3.44Å; D249-F251 WeakPolarHBondContact OD1-CB 3.16Å; D249-F251 PolarHBondContact OD1-N 3.4Å; F251-T253 VanDerWaalsContact C-N 3.33Å; F251-T253 PolarHBondContact O-N 3.27Å; F251-L254 HydrophobicContact CD2-CD2 3.97Å; F251-L254 HydrophobicContact CE2-CD2 4.06Å; F251-L254 CarbonylContact O-C 3.56Å; F251-L254 WeakPolarHBondContact O-CB 3.42Å; F251-L254 PolarHBondContact O-N 3.28Å; F251-L255 HydrophobicContact CD1-CD1 3.8Å; F251-L255 HydrophobicContact CD1-CG 4.2Å; F251-L255 HydrophobicContact CE1-CD1 3.75Å; F251-L255 HydrophobicContact CE1-CD2 4.14Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.33Å; F251-L255 PolarHBondContact O-N 2.69Å; F251-A285 HydrophobicContact CZ-CB 4.38Å; F251-M288 HydrophobicContact CE1-CG 4.03Å; F251-M288 HydrophobicContact CZ-CG 4.18Å
252E85.8Confident79.4Confident5 Ų545.2 Ų45.22%0.02322%0.221CC..Hα-helixtrans-59.2-43.4168.2175.8161.6-103.200111.9P116 N117 F118 Q247 G248 D249 L254 L255 Y256P116-E252 WeakPolarHBondContact CB-OE1 3.32Å; N117-E252 PolarHBondContact N-OE1 3.42Å; F118-E252 HydrophobicContact CD2-CB 4.27Å; F118-E252 HydrophobicContact CD2-CG 3.82Å; F118-E252 HydrophobicContact CE2-CG 4.05Å; Q247-E252 WeakPolarHBondContact CA-OE2 3.11Å; G248-E252 PolarHBondContact N-OE2 2.97Å; D249-E252 PolarHBondContact OD1-N 3.12Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.18Å; E252-L255 WeakPolarHBondContact O-CB 3Å; E252-L255 PolarHBondContact O-N 3.1Å; E252-Y256 HydrophobicContact CG-CD2 3.96Å; E252-Y256 HydrophobicContact CG-CE2 3.76Å; E252-Y256 VanDerWaalsContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E252-Y256 PolarHBondContact O-N 2.72Å
253T85.8Confident79.8Confident72 Ų7244.9 Ų44.944%0.44222%0.219SC..Hα-helixtrans-60-43.5173.2-52.40000111.6D249 F251 Y256 K257D249-T253 PolarHBondContact O-N 3.08Å; D249-T253 VanDerWaalsContact O-N 3.09Å; D249-T253 PolarHBondContact O-OG1 2.93Å; F251-T253 VanDerWaalsContact C-N 3.33Å; F251-T253 PolarHBondContact O-N 3.27Å; T253-Y256 PolarHBondContact O-N 3.1Å; T253-K257 PolarHBondContact O-N 3.09Å
254L88.2Confident80.1Confident8 Ų842.6 Ų42.64%0.04221%0.207CC..Hα-helixtrans-62-40.8174.717264000112Y250 F251 E252 K257 I258 I277 L281Y250-L254 WeakPolarHBondContact O-CB 3.33Å; Y250-L254 PolarHBondContact O-N 3.34Å; F251-L254 HydrophobicContact CD2-CD2 3.97Å; F251-L254 HydrophobicContact CE2-CD2 4.06Å; F251-L254 CarbonylContact O-C 3.56Å; F251-L254 WeakPolarHBondContact O-CB 3.42Å; F251-L254 PolarHBondContact O-N 3.28Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.18Å; L254-K257 PolarHBondContact O-N 3.24Å; L254-I258 HydrophobicContact CD1-CD1 3.71Å; L254-I258 HydrophobicContact CD1-CG1 4.17Å; L254-I258 HydrophobicContact CG-CD1 3.9Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 3.27Å; L254-I277 HydrophobicContact CD1-CD1 3.5Å; L254-I277 HydrophobicContact CD1-CG2 3.99Å; L254-L281 HydrophobicContact CD2-CB 4.09Å
255L89.7Confident80.3Confident1 Ų145.4 Ų45.41%0.00522%0.22CC..Hα-helixtrans-61.6-50.1175.4-69166.6000110.2F118 F251 E252 K257 I258 F259 A285 Y289F118-L255 HydrophobicContact CB-CD1 4.15Å; F118-L255 HydrophobicContact CD1-CD1 3.87Å; F118-L255 HydrophobicContact CD2-CB 4.28Å; F118-L255 HydrophobicContact CD2-CD1 3.6Å; F118-L255 HydrophobicContact CE1-CB 4.35Å; F118-L255 HydrophobicContact CE1-CD1 4.15Å; F118-L255 HydrophobicContact CE2-CB 3.7Å; F118-L255 HydrophobicContact CE2-CD1 3.9Å; F118-L255 HydrophobicContact CE2-CG 4.45Å; F118-L255 HydrophobicContact CG-CD1 3.58Å; F118-L255 HydrophobicContact CZ-CB 3.74Å; F118-L255 HydrophobicContact CZ-CD1 4.17Å; F251-L255 HydrophobicContact CD1-CD1 3.8Å; F251-L255 HydrophobicContact CD1-CG 4.2Å; F251-L255 HydrophobicContact CE1-CD1 3.75Å; F251-L255 HydrophobicContact CE1-CD2 4.14Å; F251-L255 HydrophobicContact CE1-CG 4.03Å; F251-L255 HydrophobicContact CZ-CD2 4.36Å; F251-L255 VanDerWaalsContact O-CG 3.27Å; F251-L255 WeakPolarHBondContact O-CG 3.33Å; F251-L255 PolarHBondContact O-N 2.69Å; E252-L255 WeakPolarHBondContact O-CB 3Å; E252-L255 PolarHBondContact O-N 3.1Å; L255-K257 VanDerWaalsContact C-N 3.33Å; L255-K257 PolarHBondContact O-N 3.1Å; L255-I258 PolarHBondContact O-N 2.92Å; L255-F259 PolarHBondContact O-N 2.79Å; L255-A285 HydrophobicContact CD2-CB 3.72Å; L255-Y289 VanDerWaalsContact C-OH 3.26Å; L255-Y289 VanDerWaalsContact CA-OH 3.29Å; L255-Y289 WeakPolarHBondContact CA-OH 3.39Å; L255-Y289 HydrophobicContact CB-CE1 4.28Å; L255-Y289 HydrophobicContact CD2-CD1 4.29Å; L255-Y289 HydrophobicContact CD2-CE1 3.55Å; L255-Y289 HydrophobicContact CD2-CE2 4.25Å; L255-Y289 HydrophobicContact CG-CE1 4.43Å; L255-Y289 PolarHBondContact O-OH 2.9Å
256Y88.4Confident81.3Confident45 Ų4534.5 Ų34.518%0.17618%0.18CC..Hα-helixtrans-59.8-40177.3-77.9-70.7000113N117 F118 E252 T253 I258 F259 V260 E408N117-Y256 PolarHBondContact ND2-OH 3.03Å; F118-Y256 HydrophobicContact CE2-CD2 4.01Å; F118-Y256 AromaticContact CE2-CE2 3.65Å; F118-Y256 HydrophobicContact CE2-CE2 3.65Å; F118-Y256 AromaticContact CE2-CZ 3.99Å; F118-Y256 HydrophobicContact CZ-CE2 4.41Å; E252-Y256 HydrophobicContact CG-CD2 3.96Å; E252-Y256 HydrophobicContact CG-CE2 3.76Å; E252-Y256 VanDerWaalsContact O-CD2 3.31Å; E252-Y256 WeakPolarHBondContact O-CD2 3.39Å; E252-Y256 PolarHBondContact O-N 2.72Å; T253-Y256 PolarHBondContact O-N 3.1Å; Y256-I258 VanDerWaalsContact C-N 3.3Å; Y256-I258 PolarHBondContact O-N 3.36Å; Y256-F259 HydrophobicContact CD1-CD2 4.46Å; Y256-F259 PolarHBondContact O-N 3.13Å; Y256-V260 WeakPolarHBondContact O-CG2 3.39Å; Y256-V260 PolarHBondContact O-N 3.14Å; Y256-E408 WeakPolarHBondContact CD1-O 3.25Å; Y256-E408 WeakPolarHBondContact CE1-O 3.48Å; Y256-E408 WeakPolarHBondContact CE1-OE2 3.47Å; Y256-E408 PolarHBondContact OH-OE2 3.47Å
257K88Confident82.7Confident40 Ų4033 Ų3317%0.17417%0.17CC..Hα-helixtrans-60.4-36.7172.9-72.2-166.7168.8-173.50113.1T253 L254 L255 S261 G484 L485 D486T253-K257 PolarHBondContact O-N 3.09Å; L254-K257 PolarHBondContact O-N 3.24Å; L255-K257 VanDerWaalsContact C-N 3.33Å; L255-K257 PolarHBondContact O-N 3.1Å; K257-S261 WeakPolarHBondContact O-CB 3.39Å; K257-S261 PolarHBondContact O-OG 2.93Å; K257-G484 WeakPolarHBondContact CE-O 3.26Å; K257-L485 HydrophobicContact CB-CD2 3.88Å; K257-L485 HydrophobicContact CD-CD2 4.49Å; K257-L485 HydrophobicContact CG-CD2 3.97Å; K257-D486 IonicContact NZ-OD1 2.78Å; K257-D486 PolarHBondContact NZ-OD1 3.06Å; K257-D486 IonicContact NZ-OD2 2.74Å; K257-D486 PolarHBondContact NZ-OD2 3.13Å
258I89.7Confident84.1Confident0 Ų025 Ų250%013%0.132CC..Hα-helixtrans-75.6-42.7178.8-70.5171000111.3L254 L255 Y256 V260 S261 I262 L271 L275 V282 A285 Y289L254-I258 HydrophobicContact CD1-CD1 3.71Å; L254-I258 HydrophobicContact CD1-CG1 4.17Å; L254-I258 HydrophobicContact CG-CD1 3.9Å; L254-I258 WeakPolarHBondContact O-CG1 3.44Å; L254-I258 PolarHBondContact O-N 3.27Å; L255-I258 PolarHBondContact O-N 2.92Å; Y256-I258 VanDerWaalsContact C-N 3.3Å; Y256-I258 PolarHBondContact O-N 3.36Å; I258-V260 PolarHBondContact O-N 3.42Å; I258-S261 CarbonylContact O-C 3.58Å; I258-S261 WeakPolarHBondContact O-CA 3.16Å; I258-S261 PolarHBondContact O-N 2.74Å; I258-I262 HydrophobicContact CG2-CD1 3.75Å; I258-I262 HydrophobicContact CG2-CG1 3.95Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 2.93Å; I258-L271 HydrophobicContact CG2-CD2 4.21Å; I258-L275 HydrophobicContact CG1-CD1 3.67Å; I258-V282 HydrophobicContact CD1-CB 4.5Å; I258-V282 HydrophobicContact CD1-CG1 4.29Å; I258-V282 HydrophobicContact CD1-CG2 4.36Å; I258-A285 HydrophobicContact CD1-CB 3.38Å; I258-Y289 HydrophobicContact CB-CE2 4.5Å; I258-Y289 HydrophobicContact CG2-CE2 3.78Å
259F88.4Confident85.7Confident2 Ų224.2 Ų24.21%0.00912%0.121CC..Hα-helixtrans-53.2-50.1178.8-98.9-17.7000112.5F118 F241 L255 Y256 S261 I262 Y289 F294 V409F118-F259 AromaticContact CE1-CE2 3.72Å; F118-F259 HydrophobicContact CE1-CE2 3.72Å; F118-F259 HydrophobicContact CE1-CZ 4.01Å; F118-F259 HydrophobicContact CZ-CD2 4.08Å; F118-F259 AromaticContact CZ-CE2 3.59Å; F118-F259 HydrophobicContact CZ-CE2 3.59Å; F118-F259 HydrophobicContact CZ-CZ 4.31Å; F241-F259 HydrophobicContact CE2-CE2 4.46Å; L255-F259 PolarHBondContact O-N 2.79Å; Y256-F259 HydrophobicContact CD1-CD2 4.46Å; Y256-F259 PolarHBondContact O-N 3.13Å; F259-S261 PolarHBondContact O-N 2.95Å; F259-I262 PolarHBondContact O-N 2.83Å; F259-Y289 HydrophobicContact CD1-CD1 4.19Å; F259-Y289 AromaticContact CD1-CE1 3.55Å; F259-Y289 HydrophobicContact CD1-CE1 3.55Å; F259-Y289 HydrophobicContact CD1-CE2 4.03Å; F259-Y289 AromaticContact CD1-CZ 3.45Å; F259-Y289 VanDerWaalsContact CD1-CZ 3.45Å; F259-Y289 HydrophobicContact CD2-CE1 4.35Å; F259-Y289 AromaticContact CE1-CD1 3.45Å; F259-Y289 HydrophobicContact CE1-CD1 3.45Å; F259-Y289 VanDerWaalsContact CE1-CD1 3.45Å; F259-Y289 HydrophobicContact CE1-CD2 4.41Å; F259-Y289 AromaticContact CE1-CE1 3.17Å; F259-Y289 HydrophobicContact CE1-CE1 3.17Å; F259-Y289 HydrophobicContact CE1-CE2 4.22Å; F259-Y289 HydrophobicContact CE1-CG 4.06Å; F259-Y289 AromaticContact CE1-CZ 3.6Å; F259-Y289 HydrophobicContact CE2-CE1 4.05Å; F259-Y289 HydrophobicContact CG-CE1 4.13Å; F259-Y289 AromaticContact CG-CZ 3.99Å; F259-Y289 AromaticContact CZ-CD1 3.79Å; F259-Y289 HydrophobicContact CZ-CD1 3.79Å; F259-Y289 AromaticContact CZ-CE1 3.47Å; F259-Y289 HydrophobicContact CZ-CE1 3.47Å; F259-Y289 VanDerWaalsContact CZ-CE1 3.47Å; F259-Y289 PolarHBondContact N-OH 3Å; F259-F294 HydrophobicContact CE1-CB 4.27Å; F259-F294 HydrophobicContact CZ-CB 4.1Å; F259-F294 AromaticContact CZ-CD2 3.98Å; F259-F294 HydrophobicContact CZ-CD2 3.98Å; F259-F294 HydrophobicContact CZ-CG 4.34Å; F259-V409 HydrophobicContact CB-CG1 4.04Å; F259-V409 HydrophobicContact CD1-CG1 4.47Å; F259-V409 HydrophobicContact CD2-CG2 4.46Å; F259-V409 HydrophobicContact CG-CG1 4.26Å
260V84.9Confident86.6Confident10 Ų1026.2 Ų26.26%0.06113%0.13CC..Hα-helixtrans-61.2-27.3178179.80000112.3Y256 I258 V409 L482 L485Y256-V260 WeakPolarHBondContact O-CG2 3.39Å; Y256-V260 PolarHBondContact O-N 3.14Å; I258-V260 PolarHBondContact O-N 3.42Å; V260-V409 VanDerWaalsContact CG2-O 3.31Å; V260-V409 WeakPolarHBondContact CG2-O 3.3Å; V260-L482 HydrophobicContact CG1-CD2 3.84Å; V260-L485 HydrophobicContact CG1-CD1 3.93Å
261S86.6Confident87.1Confident4 Ų422.8 Ų22.83%0.02812%0.117CC..Hα-helixtrans-100.9-8.6-170.9-53.80000114.2K257 I258 F259 L271 L275K257-S261 WeakPolarHBondContact O-CB 3.39Å; K257-S261 PolarHBondContact O-OG 2.93Å; I258-S261 CarbonylContact O-C 3.58Å; I258-S261 WeakPolarHBondContact O-CA 3.16Å; I258-S261 PolarHBondContact O-N 2.74Å; F259-S261 PolarHBondContact O-N 2.95Å; S261-L271 WeakPolarHBondContact O-CD1 3.47Å; S261-L275 WeakPolarHBondContact OG-CD2 3.45Å
262I87.3Confident87.4Confident9 Ų921.7 Ų21.75%0.04611%0.113CC..  trans-68.1143.6175.6-77.1166.8000110.3V235 I258 F259 L271 Y289 K411V235-I262 HydrophobicContact CG2-CB 4.44Å; V235-I262 HydrophobicContact CG2-CD1 4.09Å; V235-I262 HydrophobicContact CG2-CG2 3.88Å; I258-I262 HydrophobicContact CG2-CD1 3.75Å; I258-I262 HydrophobicContact CG2-CG1 3.95Å; I258-I262 WeakPolarHBondContact O-CG1 3.42Å; I258-I262 PolarHBondContact O-N 2.93Å; F259-I262 PolarHBondContact O-N 2.83Å; I262-L271 HydrophobicContact CG1-CD2 3.83Å; I262-Y289 HydrophobicContact CD1-CD2 4.08Å; I262-Y289 HydrophobicContact CD1-CE2 3.81Å; I262-K411 PolarHBondContact O-NZ 3.11Å
263D84.1Confident87.7Confident12 Ų1227.3 Ų27.36%0.06414%0.143CC..  trans-148.4138.9174.5-171.4-95.7000109.4H265 T266 K411D263-H265 PolarHBondContact O-N 2.72Å; D263-H265 IonicContact OD1-CD2 2.7Å; D263-H265 PolarHBondContact OD1-CD2 3.33Å; D263-H265 IonicContact OD1-CG 3.17Å; D263-H265 PolarHBondContact OD1-N 2.93Å; D263-H265 VanDerWaalsContact OD1-N 3.15Å; D263-T266 PolarHBondContact O-N 3.25Å; D263-K411 IonicContact OD2-NZ 3.89Å; D263-K411 PolarHBondContact OD2-NZ 3.18Å
264E81.8Confident87.7Confident31 Ų3125 Ų2515%0.14513%0.129CC..THydrogen-bonded Turntrans-65.7-14.2-172.3-57.4-152.2173.700114.3C232 A234 K298 E415C232-E264 WeakPolarHBondContact CB-O 2.99Å; A234-E264 HydrophobicContact CB-CG 3.78Å; A234-E264 VanDerWaalsContact CB-OE1 3.26Å; A234-E264 WeakPolarHBondContact CB-OE1 3.46Å; E264-K298 HydrophobicContact CB-CD 4.11Å; E264-K298 WeakPolarHBondContact OE2-CE 3.36Å; E264-K298 IonicContact OE2-NZ 2.69Å; E264-K298 PolarHBondContact OE2-NZ 3.32Å; E264-E415 WeakPolarHBondContact CB-OE1 3.37Å; E264-E415 WeakPolarHBondContact CG-OE1 3.45Å
265H82Confident87.6Confident76 Ų7625 Ų2535%0.35213%0.129SC..THydrogen-bonded Turntrans-97-13.2174.7-52.9-81.7000113D263 H374 R377 E415D263-H265 PolarHBondContact O-N 2.72Å; D263-H265 IonicContact OD1-CD2 2.7Å; D263-H265 PolarHBondContact OD1-CD2 3.33Å; D263-H265 IonicContact OD1-CG 3.17Å; D263-H265 PolarHBondContact OD1-N 2.93Å; D263-H265 VanDerWaalsContact OD1-N 3.15Å; H265-H374 PolarHBondContact O-CE1 3.36Å; H265-R377 PolarHBondContact CD2-NH2 3.47Å; H265-R377 VanDerWaalsContact CD2-NH2 3.28Å; H265-R377 PolarHBondContact NE2-NH2 3.41Å; H265-E415 IonicContact NE2-OE1 2.74Å
266T85.4Confident87.5Confident10 Ų1031 Ų316%0.06116%0.157CC..  trans-89.5122.7-177.4-68.50000110.8D263 E270 L271 K496D263-T266 PolarHBondContact O-N 3.25Å; T266-E270 HydrophobicContact CG2-CB 4.02Å; T266-L271 HydrophobicContact CG2-CB 3.98Å; T266-K496 PolarHBondContact OG1-NZ 3.05Å
267N90.3Very high87.5Confident29 Ų2930.3 Ų30.316%0.15516%0.156CC..BIsolated β-bridgetrans-75.4161.7171.260.662.6000112.1S231 A269 E270 L271S231-N267 WeakPolarHBondContact O-CA 3.03Å; N267-A269 VanDerWaalsContact C-N 3.3Å; N267-A269 PolarHBondContact O-N 3.08Å; N267-A269 PolarHBondContact OD1-N 2.79Å; N267-E270 VanDerWaalsContact ND2-CD 3.32Å; N267-E270 PolarHBondContact ND2-OE1 2.71Å; N267-E270 PolarHBondContact O-N 2.89Å; N267-E270 WeakPolarHBondContact OD1-CB 3.5Å; N267-E270 WeakPolarHBondContact OD1-CG 3.44Å; N267-E270 PolarHBondContact OD1-N 2.66Å; N267-L271 PolarHBondContact O-N 2.92Å
268V90.3Very high87.5Confident1 Ų131.7 Ų31.71%0.00617%0.165CC..Hα-helixtrans-64.4-30.8-175.6168.70000113.1I227 D229 S231 I233 A272 L279 V282 K283 V286I227-V268 HydrophobicContact CG2-CB 4.4Å; I227-V268 HydrophobicContact CG2-CG1 4.29Å; I227-V268 HydrophobicContact CG2-CG2 3.83Å; D229-V268 PolarHBondContact O-N 2.62Å; D229-V268 VanDerWaalsContact O-N 3.16Å; S231-V268 WeakPolarHBondContact O-CG2 3.37Å; S231-V268 PolarHBondContact O-N 2.77Å; I233-V268 HydrophobicContact CG1-CG2 4.04Å; V268-A272 PolarHBondContact O-N 3.1Å; V268-A272 VanDerWaalsContact O-N 3.1Å; V268-L279 HydrophobicContact CG1-CD1 4.03Å; V268-V282 HydrophobicContact CG1-CG1 4.11Å; V268-K283 HydrophobicContact CG1-CG 3.81Å; V268-V286 HydrophobicContact CG2-CG1 4.42Å; V268-V286 HydrophobicContact CG2-CG2 4.18Å
269A89.9Confident87.6Confident26 Ų2634.8 Ų34.822%0.21518%0.181CC..Hα-helixtrans-66.1-47174.500000112.6D229 N267 A272 N273D229-A269 HydrophobicContact CB-CB 4.29Å; D229-A269 PolarHBondContact O-N 3.06Å; D229-A269 VanDerWaalsContact O-N 3.17Å; N267-A269 VanDerWaalsContact C-N 3.3Å; N267-A269 PolarHBondContact O-N 3.08Å; N267-A269 PolarHBondContact OD1-N 2.79Å; A269-A272 PolarHBondContact O-N 2.85Å; A269-N273 VanDerWaalsContact O-CG 3.32Å; A269-N273 PolarHBondContact O-N 3.47Å; A269-N273 VanDerWaalsContact O-N 3.12Å; A269-N273 PolarHBondContact O-ND2 2.96Å
270E88.4Confident87.6Confident63 Ų6338 Ų3829%0.29420%0.204SC..Hα-helixtrans-64.9-38.4174.5-77.1171.7-142.600112.5T266 N267 A272 N273 V274 K496T266-E270 HydrophobicContact CG2-CB 4.02Å; N267-E270 VanDerWaalsContact ND2-CD 3.32Å; N267-E270 PolarHBondContact ND2-OE1 2.71Å; N267-E270 PolarHBondContact O-N 2.89Å; N267-E270 WeakPolarHBondContact OD1-CB 3.5Å; N267-E270 WeakPolarHBondContact OD1-CG 3.44Å; N267-E270 PolarHBondContact OD1-N 2.66Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 3.02Å; E270-N273 PolarHBondContact O-N 3.36Å; E270-V274 WeakPolarHBondContact O-CG2 3.11Å; E270-V274 PolarHBondContact O-N 3.46Å; E270-K496 WeakPolarHBondContact OE2-CE 3.33Å; E270-K496 IonicContact OE2-NZ 3.49Å; E270-K496 PolarHBondContact OE2-NZ 2.94Å
271L89.9Confident87.8Confident8 Ų839.2 Ų39.24%0.04221%0.21CC..Hα-helixtrans-59.7-44.4176.3-175.455.4000111.3I258 S261 I262 T266 N267 N273 V274 L275 V282I258-L271 HydrophobicContact CG2-CD2 4.21Å; S261-L271 WeakPolarHBondContact O-CD1 3.47Å; I262-L271 HydrophobicContact CG1-CD2 3.83Å; T266-L271 HydrophobicContact CG2-CB 3.98Å; N267-L271 PolarHBondContact O-N 2.92Å; L271-N273 PolarHBondContact O-N 3.37Å; L271-V274 PolarHBondContact O-N 2.82Å; L271-L275 HydrophobicContact CD1-CD1 3.9Å; L271-L275 HydrophobicContact CD1-CG 4.3Å; L271-L275 HydrophobicContact CG-CD1 4.04Å; L271-L275 WeakPolarHBondContact O-CB 3.22Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.35Å; L271-L275 PolarHBondContact O-N 3.49Å; L271-V282 HydrophobicContact CB-CG1 4.47Å; L271-V282 HydrophobicContact CD2-CG1 3.99Å; L271-V282 HydrophobicContact CG-CG1 4.09Å
272A91.2Very high88Confident4 Ų439 Ų393%0.03321%0.209CC..Hα-helixtrans-61.5-41.8174.100000112.7V268 A269 E270 L275 E276 I277 L279 V282V268-A272 PolarHBondContact O-N 3.1Å; V268-A272 VanDerWaalsContact O-N 3.1Å; A269-A272 PolarHBondContact O-N 2.85Å; E270-A272 VanDerWaalsContact C-N 3.33Å; E270-A272 PolarHBondContact O-N 3.02Å; A272-L275 PolarHBondContact O-N 3.4Å; A272-E276 PolarHBondContact O-N 3Å; A272-I277 PolarHBondContact O-N 3Å; A272-L279 HydrophobicContact CB-CB 4.23Å; A272-L279 HydrophobicContact CB-CD1 3.88Å; A272-V282 HydrophobicContact CB-CB 4.35Å; A272-V282 HydrophobicContact CB-CG2 3.88Å
273N90.4Very high88.2Confident123 Ų12341 Ų4166%0.65822%0.217SC*.Hα-helixtrans-66.9-39.2177.6-69.2-29.4000113A269 E270 L271A269-N273 VanDerWaalsContact O-CG 3.32Å; A269-N273 PolarHBondContact O-N 3.47Å; A269-N273 VanDerWaalsContact O-N 3.12Å; A269-N273 PolarHBondContact O-ND2 2.96Å; E270-N273 PolarHBondContact O-N 3.36Å; L271-N273 PolarHBondContact O-N 3.37Å
274V87.1Confident88.5Confident24 Ų2442.4 Ų42.415%0.14523%0.225CC..Hα-helixtrans-68.2-38176.7170.90000111.1E270 L271 R492 V493 K496E270-V274 WeakPolarHBondContact O-CG2 3.11Å; E270-V274 PolarHBondContact O-N 3.46Å; L271-V274 PolarHBondContact O-N 2.82Å; V274-R492 HydrophobicContact CG1-CB 4.16Å; V274-R492 PolarHBondContact O-NE 3.4Å; V274-R492 PolarHBondContact O-NH2 2.79Å; V274-V493 HydrophobicContact CG1-CB 4.34Å; V274-V493 HydrophobicContact CG1-CG2 3.49Å; V274-V493 VanDerWaalsContact CG1-CG2 3.49Å; V274-K496 HydrophobicContact CG2-CD 3.97Å
275L86.6Confident89Confident6 Ų641 Ų413%0.03122%0.218CC..Hα-helixtrans-79.5-19.3179.5-70.3173.8000114.3I258 S261 L271 A272 I277 L485 T489I258-L275 HydrophobicContact CG1-CD1 3.67Å; S261-L275 WeakPolarHBondContact OG-CD2 3.45Å; L271-L275 HydrophobicContact CD1-CD1 3.9Å; L271-L275 HydrophobicContact CD1-CG 4.3Å; L271-L275 HydrophobicContact CG-CD1 4.04Å; L271-L275 WeakPolarHBondContact O-CB 3.22Å; L271-L275 VanDerWaalsContact O-CG 3.29Å; L271-L275 WeakPolarHBondContact O-CG 3.35Å; L271-L275 PolarHBondContact O-N 3.49Å; A272-L275 PolarHBondContact O-N 3.4Å; L275-I277 VanDerWaalsContact C-N 3.28Å; L275-I277 HydrophobicContact CB-CB 4.17Å; L275-I277 HydrophobicContact CB-CD1 3.87Å; L275-I277 HydrophobicContact CB-CG1 3.87Å; L275-I277 HydrophobicContact CD1-CD1 4.36Å; L275-L485 HydrophobicContact CD2-CD2 4.44Å; L275-T489 HydrophobicContact CD2-CG2 3.65Å
276E87.8Confident89.5Confident129 Ų12937.3 Ų37.360%0.60320%0.201SC*.THydrogen-bonded Turntrans57.738.6-167.9-68.9169.3159.100113A272 R492A272-E276 PolarHBondContact O-N 3Å; E276-R492 IonicContact OE1-CZ 3.36Å; E276-R492 IonicContact OE1-NH1 3.72Å; E276-R492 PolarHBondContact OE1-NH1 3.14Å; E276-R492 IonicContact OE1-NH2 2.79Å; E276-R492 IonicContact OE2-CZ 3.5Å; E276-R492 IonicContact OE2-NH1 2.77Å; E276-R492 PolarHBondContact OE2-NH1 2.96Å; E276-R492 IonicContact OE2-NH2 3.7Å; E276-R492 PolarHBondContact OE2-NH2 3.41Å
277I87.8Confident89.7Confident29 Ų2937.4 Ų37.415%0.14920%0.202CC..  trans-116146.1-177.9-62178.2000110L254 A272 L275 L279 L281 V282L254-I277 HydrophobicContact CD1-CD1 3.5Å; L254-I277 HydrophobicContact CD1-CG2 3.99Å; A272-I277 PolarHBondContact O-N 3Å; L275-I277 VanDerWaalsContact C-N 3.28Å; L275-I277 HydrophobicContact CB-CB 4.17Å; L275-I277 HydrophobicContact CB-CD1 3.87Å; L275-I277 HydrophobicContact CB-CG1 3.87Å; L275-I277 HydrophobicContact CD1-CD1 4.36Å; I277-L279 PolarHBondContact O-N 3.33Å; I277-L281 HydrophobicContact CG2-CB 4.09Å; I277-L281 HydrophobicContact CG2-CD1 4.31Å; I277-V282 HydrophobicContact CB-CG2 4.13Å; I277-V282 HydrophobicContact CG2-CG2 3.94Å
278D88.2Confident89.7Confident70 Ų7036.3 Ų36.337%0.37420%0.196SC..  trans-58125.6-179.1-60.1-58.7000110.7R10 S280 L281 V282R10-D278 IonicContact CZ-OD2 3.14Å; R10-D278 VanDerWaalsContact CZ-OD2 3.23Å; R10-D278 IonicContact NE-OD2 2.77Å; R10-D278 PolarHBondContact NE-OD2 2.85Å; R10-D278 VanDerWaalsContact NH2-CG 3.31Å; R10-D278 IonicContact NH2-OD1 3.94Å; R10-D278 IonicContact NH2-OD2 3.99Å; R10-D278 PolarHBondContact NH2-OD2 3.49Å; D278-S280 PolarHBondContact O-N 3.22Å; D278-L281 HydrophobicContact CB-CD1 4.08Å; D278-L281 HydrophobicContact CB-CG 4.11Å; D278-L281 WeakPolarHBondContact O-CA 3.36Å; D278-L281 WeakPolarHBondContact O-CB 3.3Å; D278-L281 PolarHBondContact O-N 3.25Å; D278-V282 PolarHBondContact O-N 3.16Å
279L90.4Very high89.8Confident64 Ų6436.2 Ų36.234%0.33520%0.196SC..Hα-helixtrans-52.8-31.6-176.3-179.653.4000113.7D229 V268 A272 I277 K283D229-L279 VanDerWaalsContact OD1-CD2 3.32Å; D229-L279 WeakPolarHBondContact OD1-CD2 3.48Å; V268-L279 HydrophobicContact CG1-CD1 4.03Å; A272-L279 HydrophobicContact CB-CB 4.23Å; A272-L279 HydrophobicContact CB-CD1 3.88Å; I277-L279 PolarHBondContact O-N 3.33Å; L279-K283 WeakPolarHBondContact O-CB 3.46Å; L279-K283 WeakPolarHBondContact O-CG 3.27Å; L279-K283 PolarHBondContact O-N 2.96Å
280S88.6Confident89.7Confident71 Ų7135.3 Ų35.350%0.49719%0.188SC..Hα-helixtrans-67.3-36.8173.251.20000113.4D278 N284D278-S280 PolarHBondContact O-N 3.22Å; S280-N284 PolarHBondContact O-N 2.82Å; S280-N284 PolarHBondContact O-ND2 3.01Å; S280-N284 PolarHBondContact O-OD1 3.15Å
281L89.1Confident89.8Confident35 Ų3533 Ų3318%0.18318%0.176CC..Hα-helixtrans-70.4-40.7176-63177000111.1L254 I277 D278 N284 A285L254-L281 HydrophobicContact CD2-CB 4.09Å; I277-L281 HydrophobicContact CG2-CB 4.09Å; I277-L281 HydrophobicContact CG2-CD1 4.31Å; D278-L281 HydrophobicContact CB-CD1 4.08Å; D278-L281 HydrophobicContact CB-CG 4.11Å; D278-L281 WeakPolarHBondContact O-CA 3.36Å; D278-L281 WeakPolarHBondContact O-CB 3.3Å; D278-L281 PolarHBondContact O-N 3.25Å; L281-N284 PolarHBondContact O-N 3.24Å; L281-A285 PolarHBondContact O-N 3.39Å
282V91.4Very high89.6Confident0 Ų033.6 Ų33.60%018%0.179CC..Hα-helixtrans-64.6-42.7175.2-173.70000110.8I258 V268 L271 A272 I277 D278 N284 A285 V286I258-V282 HydrophobicContact CD1-CB 4.5Å; I258-V282 HydrophobicContact CD1-CG1 4.29Å; I258-V282 HydrophobicContact CD1-CG2 4.36Å; V268-V282 HydrophobicContact CG1-CG1 4.11Å; L271-V282 HydrophobicContact CB-CG1 4.47Å; L271-V282 HydrophobicContact CD2-CG1 3.99Å; L271-V282 HydrophobicContact CG-CG1 4.09Å; A272-V282 HydrophobicContact CB-CB 4.35Å; A272-V282 HydrophobicContact CB-CG2 3.88Å; I277-V282 HydrophobicContact CB-CG2 4.13Å; I277-V282 HydrophobicContact CG2-CG2 3.94Å; D278-V282 PolarHBondContact O-N 3.16Å; V282-N284 VanDerWaalsContact C-N 3.35Å; V282-N284 PolarHBondContact O-N 3.47Å; V282-A285 PolarHBondContact O-N 3.49Å; V282-V286 HydrophobicContact CG1-CG2 4.47Å; V282-V286 WeakPolarHBondContact O-CB 3.39Å; V282-V286 WeakPolarHBondContact O-CG2 3.47Å; V282-V286 PolarHBondContact O-N 2.92Å
283K91.7Very high89.3Confident49 Ų4935.6 Ų35.621%0.21320%0.2CC..Hα-helixtrans-58.7-42.1171.4-78179177.4-178.20112.8I227 D229 V268 L279 S287I227-K283 HydrophobicContact CB-CB 4.34Å; I227-K283 HydrophobicContact CB-CG 4.17Å; I227-K283 HydrophobicContact CG2-CG 4.15Å; I227-K283 WeakPolarHBondContact O-CD 3.43Å; I227-K283 VanDerWaalsContact O-CE 3.22Å; I227-K283 WeakPolarHBondContact O-CE 3.41Å; D229-K283 WeakPolarHBondContact OD1-CE 3.22Å; D229-K283 IonicContact OD1-NZ 3.28Å; D229-K283 PolarHBondContact OD1-NZ 3.23Å; D229-K283 IonicContact OD2-NZ 2.82Å; D229-K283 PolarHBondContact OD2-NZ 3.25Å; V268-K283 HydrophobicContact CG1-CG 3.81Å; L279-K283 WeakPolarHBondContact O-CB 3.46Å; L279-K283 WeakPolarHBondContact O-CG 3.27Å; L279-K283 PolarHBondContact O-N 2.96Å; K283-S287 VanDerWaalsContact O-CB 3.24Å; K283-S287 WeakPolarHBondContact O-CB 3.49Å; K283-S287 PolarHBondContact O-N 3Å
284N90.8Very high89.1Confident43 Ų4330.6 Ų30.623%0.2317%0.173CC..Hα-helixtrans-64-44.4177.3-67.9-14.7000111.6H81 S280 L281 V282 S287 M288H81-N284 WeakPolarHBondContact CB-ND2 3.42Å; S280-N284 PolarHBondContact O-N 2.82Å; S280-N284 PolarHBondContact O-ND2 3.01Å; S280-N284 PolarHBondContact O-OD1 3.15Å; L281-N284 PolarHBondContact O-N 3.24Å; V282-N284 VanDerWaalsContact C-N 3.35Å; V282-N284 PolarHBondContact O-N 3.47Å; N284-S287 WeakPolarHBondContact O-CB 3.5Å; N284-S287 PolarHBondContact O-N 2.9Å; N284-M288 WeakPolarHBondContact O-CG 3.25Å; N284-M288 PolarHBondContact O-N 2.99Å
285A91.8Very high89.1Confident0 Ų029.7 Ų29.70%017%0.168CC..Hα-helixtrans-61.9-47.3176.500000112.5F251 L255 I258 L281 V282 S287 M288 Y289F251-A285 HydrophobicContact CZ-CB 4.38Å; L255-A285 HydrophobicContact CD2-CB 3.72Å; I258-A285 HydrophobicContact CD1-CB 3.38Å; L281-A285 PolarHBondContact O-N 3.39Å; V282-A285 PolarHBondContact O-N 3.49Å; A285-S287 VanDerWaalsContact C-N 3.34Å; A285-S287 PolarHBondContact O-N 3.41Å; A285-M288 WeakPolarHBondContact O-CA 3.49Å; A285-M288 WeakPolarHBondContact O-CB 3.08Å; A285-M288 PolarHBondContact O-N 3.39Å; A285-Y289 WeakPolarHBondContact O-CD2 3.13Å; A285-Y289 PolarHBondContact O-N 3.16Å
286V91.5Very high89Confident0 Ų032.2 Ų32.20%018%0.179CC..Hα-helixtrans-62.4-41175.4170.80000111.7I227 I233 V268 V282 M288 Y289 C290I227-V286 HydrophobicContact CD1-CG1 3.83Å; I227-V286 HydrophobicContact CG1-CB 4.32Å; I227-V286 HydrophobicContact CG1-CG1 3.89Å; I227-V286 HydrophobicContact CG2-CB 4.39Å; I227-V286 HydrophobicContact CG2-CG1 3.9Å; I233-V286 HydrophobicContact CD1-CG1 3.48Å; I233-V286 VanDerWaalsContact CD1-CG1 3.48Å; I233-V286 HydrophobicContact CG1-CG1 3.6Å; I233-V286 HydrophobicContact CG2-CG1 4.29Å; V268-V286 HydrophobicContact CG2-CG1 4.42Å; V268-V286 HydrophobicContact CG2-CG2 4.18Å; V282-V286 HydrophobicContact CG1-CG2 4.47Å; V282-V286 WeakPolarHBondContact O-CB 3.39Å; V282-V286 WeakPolarHBondContact O-CG2 3.47Å; V282-V286 PolarHBondContact O-N 2.92Å; V286-M288 VanDerWaalsContact C-N 3.25Å; V286-M288 PolarHBondContact O-N 3.33Å; V286-Y289 PolarHBondContact O-N 2.93Å; V286-C290 PolarHBondContact O-N 3.33Å; V286-C290 VanDerWaalsContact O-N 3.16Å
287S91.1Very high88.8Confident11 Ų1128.2 Ų28.28%0.07716%0.16CC..Hα-helixtrans-57.5-39.8172.6-168.30000111.1V225 K283 N284 A285 R291V225-S287 WeakPolarHBondContact CB-OG 3.39Å; V225-S287 PolarHBondContact O-OG 3.42Å; K283-S287 VanDerWaalsContact O-CB 3.24Å; K283-S287 WeakPolarHBondContact O-CB 3.49Å; K283-S287 PolarHBondContact O-N 3Å; N284-S287 WeakPolarHBondContact O-CB 3.5Å; N284-S287 PolarHBondContact O-N 2.9Å; A285-S287 VanDerWaalsContact C-N 3.34Å; A285-S287 PolarHBondContact O-N 3.41Å; S287-R291 VanDerWaalsContact O-CD 3.26Å; S287-R291 WeakPolarHBondContact O-CD 3.45Å; S287-R291 WeakPolarHBondContact O-CG 3.28Å; S287-R291 PolarHBondContact O-N 3.13Å; S287-R291 PolarHBondContact OG-NE 3.09Å; S287-R291 VanDerWaalsContact OG-NE 3.16Å
288M90.8Very high88.1Confident6 Ų630.8 Ų30.83%0.0317%0.17CC..Hα-helixtrans-66.1-41.3175.4-72.6-47.5-51.900113.7L77 Y80 F251 N284 A285 V286 C290 R291 L292L77-M288 HydrophobicContact CD2-CE 4.15Å; L77-M288 HydrophobicContact CD2-CG 4.35Å; Y80-M288 HydrophobicContact CD2-CE 3.45Å; Y80-M288 VanDerWaalsContact CD2-CE 3.45Å; Y80-M288 HydrophobicContact CD2-SD 3.22Å; Y80-M288 WeakPolarHBondContact CD2-SD 3.42Å; Y80-M288 HydrophobicContact CE2-CE 3.49Å; Y80-M288 VanDerWaalsContact CE2-CE 3.49Å; Y80-M288 HydrophobicContact CE2-SD 3.93Å; Y80-M288 HydrophobicContact CG-CE 4.31Å; Y80-M288 HydrophobicContact CG-SD 3.65Å; F251-M288 HydrophobicContact CE1-CG 4.03Å; F251-M288 HydrophobicContact CZ-CG 4.18Å; N284-M288 WeakPolarHBondContact O-CG 3.25Å; N284-M288 PolarHBondContact O-N 2.99Å; A285-M288 WeakPolarHBondContact O-CA 3.49Å; A285-M288 WeakPolarHBondContact O-CB 3.08Å; A285-M288 PolarHBondContact O-N 3.39Å; V286-M288 VanDerWaalsContact C-N 3.25Å; V286-M288 PolarHBondContact O-N 3.33Å; M288-C290 VanDerWaalsContact C-N 3.35Å; M288-C290 PolarHBondContact O-N 2.72Å; M288-R291 HydrophobicContact CE-CB 4.38Å; M288-R291 PolarHBondContact O-N 3.48Å; M288-L292 HydrophobicContact CE-CG 4.39Å; M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.98Å
289Y90.4Very high86.8Confident0 Ų030.8 Ų30.80%019%0.187CC..Hα-helixtrans-62.8-40.7176.1-58.8-47.7000112.8F118 L255 I258 F259 I262 A285 V286 R291 L292 G293 F294 A295F118-Y289 AromaticContact CE1-CE1 3.99Å; F118-Y289 HydrophobicContact CE1-CE1 3.99Å; F118-Y289 HydrophobicContact CZ-CE1 4.43Å; L255-Y289 VanDerWaalsContact C-OH 3.26Å; L255-Y289 VanDerWaalsContact CA-OH 3.29Å; L255-Y289 WeakPolarHBondContact CA-OH 3.39Å; L255-Y289 HydrophobicContact CB-CE1 4.28Å; L255-Y289 HydrophobicContact CD2-CD1 4.29Å; L255-Y289 HydrophobicContact CD2-CE1 3.55Å; L255-Y289 HydrophobicContact CD2-CE2 4.25Å; L255-Y289 HydrophobicContact CG-CE1 4.43Å; L255-Y289 PolarHBondContact O-OH 2.9Å; I258-Y289 HydrophobicContact CB-CE2 4.5Å; I258-Y289 HydrophobicContact CG2-CE2 3.78Å; F259-Y289 HydrophobicContact CD1-CD1 4.19Å; F259-Y289 AromaticContact CD1-CE1 3.55Å; F259-Y289 HydrophobicContact CD1-CE1 3.55Å; F259-Y289 HydrophobicContact CD1-CE2 4.03Å; F259-Y289 AromaticContact CD1-CZ 3.45Å; F259-Y289 VanDerWaalsContact CD1-CZ 3.45Å; F259-Y289 HydrophobicContact CD2-CE1 4.35Å; F259-Y289 AromaticContact CE1-CD1 3.45Å; F259-Y289 HydrophobicContact CE1-CD1 3.45Å; F259-Y289 VanDerWaalsContact CE1-CD1 3.45Å; F259-Y289 HydrophobicContact CE1-CD2 4.41Å; F259-Y289 AromaticContact CE1-CE1 3.17Å; F259-Y289 HydrophobicContact CE1-CE1 3.17Å; F259-Y289 HydrophobicContact CE1-CE2 4.22Å; F259-Y289 HydrophobicContact CE1-CG 4.06Å; F259-Y289 AromaticContact CE1-CZ 3.6Å; F259-Y289 HydrophobicContact CE2-CE1 4.05Å; F259-Y289 HydrophobicContact CG-CE1 4.13Å; F259-Y289 AromaticContact CG-CZ 3.99Å; F259-Y289 AromaticContact CZ-CD1 3.79Å; F259-Y289 HydrophobicContact CZ-CD1 3.79Å; F259-Y289 AromaticContact CZ-CE1 3.47Å; F259-Y289 HydrophobicContact CZ-CE1 3.47Å; F259-Y289 VanDerWaalsContact CZ-CE1 3.47Å; F259-Y289 PolarHBondContact N-OH 3Å; I262-Y289 HydrophobicContact CD1-CD2 4.08Å; I262-Y289 HydrophobicContact CD1-CE2 3.81Å; A285-Y289 WeakPolarHBondContact O-CD2 3.13Å; A285-Y289 PolarHBondContact O-N 3.16Å; V286-Y289 PolarHBondContact O-N 2.93Å; Y289-R291 VanDerWaalsContact C-N 3.33Å; Y289-R291 PolarHBondContact O-N 2.78Å; Y289-L292 PolarHBondContact O-N 3.21Å; Y289-G293 PolarHBondContact O-N 3.5Å; Y289-F294 HydrophobicContact CD1-CB 4.35Å; Y289-F294 HydrophobicContact CD1-CD2 4.37Å; Y289-F294 PolarHBondContact O-N 2.96Å; Y289-A295 HydrophobicContact CG-CB 4.4Å; Y289-A295 PolarHBondContact O-N 2.83Å
290C89.1Confident85.2Confident7 Ų730.2 Ų30.25%0.04718%0.182CC..Hα-helixtrans-65.4-35.6174.9-65.30000112.3W169 V225 V286 M288 G293 A295W169-C290 HydrophobicContact CZ2-CB 4.43Å; V225-C290 HydrophobicContact CG1-CB 3.92Å; V286-C290 PolarHBondContact O-N 3.33Å; V286-C290 VanDerWaalsContact O-N 3.16Å; M288-C290 VanDerWaalsContact C-N 3.35Å; M288-C290 PolarHBondContact O-N 2.72Å; C290-G293 PolarHBondContact O-N 3.19Å; C290-A295 WeakPolarHBondContact CA-O 3.33Å; C290-A295 PolarHBondContact SG-O 2.6Å
291R89.4Confident83.2Confident15 Ų1533 Ų336%0.05720%0.196CC..Hα-helixtrans-68.3-31.5174.6-69.3160.1-174-82.79.4113.6R125 L223 D224 V225 S287 M288 Y289R125-R291 VanDerWaalsContact CD-O 3.23Å; R125-R291 WeakPolarHBondContact CD-O 3.49Å; R125-R291 PolarHBondContact NE-O 3.11Å; R125-R291 PolarHBondContact NH1-O 2.86Å; L223-R291 PolarHBondContact O-NH1 3.31Å; L223-R291 PolarHBondContact O-NH2 2.99Å; D224-R291 IonicContact OD1-NH2 3.24Å; D224-R291 PolarHBondContact OD1-NH2 3.44Å; V225-R291 HydrophobicContact CB-CG 4.21Å; V225-R291 HydrophobicContact CG2-CG 3.73Å; S287-R291 VanDerWaalsContact O-CD 3.26Å; S287-R291 WeakPolarHBondContact O-CD 3.45Å; S287-R291 WeakPolarHBondContact O-CG 3.28Å; S287-R291 PolarHBondContact O-N 3.13Å; S287-R291 PolarHBondContact OG-NE 3.09Å; S287-R291 VanDerWaalsContact OG-NE 3.16Å; M288-R291 HydrophobicContact CE-CB 4.38Å; M288-R291 PolarHBondContact O-N 3.48Å; Y289-R291 VanDerWaalsContact C-N 3.33Å; Y289-R291 PolarHBondContact O-N 2.78Å
292L86.9Confident81.6Confident20 Ų2034.6 Ų34.611%0.10520%0.204CC..Hα-helixtrans-89-9.4178.6-65.5174.9000113.4F118 A121 D122 M288 Y289 F294F118-L292 HydrophobicContact CD1-CD1 3.97Å; A121-L292 HydrophobicContact CB-CD2 4.5Å; D122-L292 HydrophobicContact CB-CD2 3.82Å; M288-L292 HydrophobicContact CE-CG 4.39Å; M288-L292 WeakPolarHBondContact O-CB 3.46Å; M288-L292 WeakPolarHBondContact O-CG 3.31Å; M288-L292 PolarHBondContact O-N 2.98Å; Y289-L292 PolarHBondContact O-N 3.21Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 HydrophobicContact CB-CD1 4.46Å; L292-F294 HydrophobicContact CB-CD2 3.77Å; L292-F294 HydrophobicContact CB-CE2 3.86Å; L292-F294 HydrophobicContact CB-CG 4.09Å; L292-F294 HydrophobicContact CB-CZ 4.24Å; L292-F294 HydrophobicContact CD1-CD2 3.99Å; L292-F294 HydrophobicContact CD1-CE2 3.72Å; L292-F294 HydrophobicContact CG-CE2 4.38Å
293G85.3Confident79.8Confident46 Ų4639 Ų3947%0.47423%0.228SC..THydrogen-bonded Turntrans82.10.8-176.200000114.9Y289 C290 A295Y289-G293 PolarHBondContact O-N 3.5Å; C290-G293 PolarHBondContact O-N 3.19Å; G293-A295 VanDerWaalsContact C-N 3.33Å; G293-A295 PolarHBondContact O-N 3.07Å
294F86.3Confident78.2Confident17 Ų1741.2 Ų41.28%0.07524%0.242CC..SBendtrans-76.9-13.9-178-57.9-25000114.2F118 A121 L238 F241 F259 Y289 L292F118-F294 HydrophobicContact CD1-CD2 4.39Å; F118-F294 AromaticContact CD1-CE2 3.98Å; F118-F294 HydrophobicContact CD1-CE2 3.98Å; F118-F294 HydrophobicContact CE1-CD2 4.17Å; F118-F294 HydrophobicContact CE1-CE2 4.06Å; A121-F294 HydrophobicContact CB-CE2 4.26Å; A121-F294 HydrophobicContact CB-CZ 3.8Å; L238-F294 HydrophobicContact CD2-CB 4.03Å; L238-F294 HydrophobicContact CD2-CD1 3.94Å; L238-F294 HydrophobicContact CD2-CG 4.11Å; F241-F294 HydrophobicContact CD2-CD1 4.45Å; F241-F294 HydrophobicContact CD2-CD2 4.5Å; F241-F294 AromaticContact CD2-CE1 3.77Å; F241-F294 HydrophobicContact CD2-CE1 3.77Å; F241-F294 AromaticContact CD2-CE2 3.82Å; F241-F294 HydrophobicContact CD2-CE2 3.82Å; F241-F294 AromaticContact CD2-CZ 3.41Å; F241-F294 HydrophobicContact CD2-CZ 3.41Å; F241-F294 VanDerWaalsContact CD2-CZ 3.41Å; F241-F294 HydrophobicContact CE2-CD2 4.27Å; F241-F294 HydrophobicContact CE2-CE1 4.4Å; F241-F294 AromaticContact CE2-CE2 3.59Å; F241-F294 HydrophobicContact CE2-CE2 3.59Å; F241-F294 AromaticContact CE2-CZ 3.67Å; F241-F294 HydrophobicContact CE2-CZ 3.67Å; F259-F294 HydrophobicContact CE1-CB 4.27Å; F259-F294 HydrophobicContact CZ-CB 4.1Å; F259-F294 AromaticContact CZ-CD2 3.98Å; F259-F294 HydrophobicContact CZ-CD2 3.98Å; F259-F294 HydrophobicContact CZ-CG 4.34Å; Y289-F294 HydrophobicContact CD1-CB 4.35Å; Y289-F294 HydrophobicContact CD1-CD2 4.37Å; Y289-F294 PolarHBondContact O-N 2.96Å; L292-F294 VanDerWaalsContact C-N 3.3Å; L292-F294 HydrophobicContact CB-CD1 4.46Å; L292-F294 HydrophobicContact CB-CD2 3.77Å; L292-F294 HydrophobicContact CB-CE2 3.86Å; L292-F294 HydrophobicContact CB-CG 4.09Å; L292-F294 HydrophobicContact CB-CZ 4.24Å; L292-F294 HydrophobicContact CD1-CD2 3.99Å; L292-F294 HydrophobicContact CD1-CE2 3.72Å; L292-F294 HydrophobicContact CG-CE2 4.38Å
295A86.4Confident76.5Confident6 Ų646 Ų465%0.0527%0.267CS..  trans-149.1153.3174.800000111.8I233 A234 V235 Y289 C290 G293I233-A295 HydrophobicContact CG2-CB 3.69Å; A234-A295 WeakPolarHBondContact O-CA 3.24Å; V235-A295 HydrophobicContact CG2-CB 3.98Å; Y289-A295 HydrophobicContact CG-CB 4.4Å; Y289-A295 PolarHBondContact O-N 2.83Å; C290-A295 WeakPolarHBondContact CA-O 3.33Å; C290-A295 PolarHBondContact SG-O 2.6Å; G293-A295 VanDerWaalsContact C-N 3.33Å; G293-A295 PolarHBondContact O-N 3.07Å
296H84.3Confident74.9Confident58 Ų5853.3 Ų53.327%0.26930%0.301SS..EExtended strand (participates in β ladder)trans-128.8151.6178.168.7-55.2000111.6A234A234-H296 WeakPolarHBondContact CB-CE1 3.48Å; A234-H296 PolarHBondContact N-O 3Å; A234-H296 PolarHBondContact O-N 3.12Å; A234-H296 PolarHBondContact O-ND1 3.22Å
297K82.6Confident73.8Confident45 Ų4554.6 Ų54.620%0.19631%0.308CS..EExtended strand (participates in β ladder)trans-84.3117.5-179.7175.8163.5172.2161.80110.1S228 S231 I233 Q300S228-K297 PolarHBondContact OG-NZ 2.86Å; S228-K297 VanDerWaalsContact OG-NZ 3.07Å; S231-K297 WeakPolarHBondContact OG-CE 3.32Å; S231-K297 PolarHBondContact OG-NZ 3.21Å; I233-K297 HydrophobicContact CD1-CB 4.29Å; K297-Q300 HydrophobicContact CB-CG 4.35Å; K297-Q300 HydrophobicContact CG-CG 4.25Å
298K73.2Confident72.6Confident83 Ų8357.8 Ų57.836%0.36132%0.322SS..THydrogen-bonded Turntrans-69.4146-179.5-162.2163.4-179.5169.20110C232 E264C232-K298 HydrophobicContact CB-CB 4.26Å; C232-K298 PolarHBondContact O-N 2.57Å; E264-K298 HydrophobicContact CB-CD 4.11Å; E264-K298 WeakPolarHBondContact OE2-CE 3.36Å; E264-K298 IonicContact OE2-NZ 2.69Å; E264-K298 PolarHBondContact OE2-NZ 3.32Å
299G61.6Low71.4Confident71 Ų7161.8 Ų61.873%0.73235%0.35SS*.THydrogen-bonded Turntrans8117.6176.500000116.8V301G299-V301 VanDerWaalsContact C-N 3.35Å; G299-V301 PolarHBondContact O-N 3.4Å
300Q56.8Low70.5Confident51 Ų5163 Ų6324%0.23836%0.359CS..  trans-72.880.7176.1-75.1-165.1-1.600113.7W169 K297 I302W169-Q300 VanDerWaalsContact CD1-OE1 3.25Å; W169-Q300 VanDerWaalsContact CD2-NE2 3.3Å; W169-Q300 VanDerWaalsContact CG-NE2 3.32Å; W169-Q300 VanDerWaalsContact NE1-NE2 3.1Å; K297-Q300 HydrophobicContact CB-CG 4.35Å; K297-Q300 HydrophobicContact CG-CG 4.25Å; Q300-I302 VanDerWaalsContact C-N 3.28Å; Q300-I302 HydrophobicContact CB-CG1 4.3Å; Q300-I302 PolarHBondContact O-N 3.38Å
301V46.7Very low69.7Low130 Ų13063.6 Ų63.679%0.78836%0.36SS*.  trans-77.581.1162.2-172.60000108.7G299 N303G299-V301 VanDerWaalsContact C-N 3.35Å; G299-V301 PolarHBondContact O-N 3.4Å; V301-N303 PolarHBondContact O-N 3.4Å
302I56.4Low68.4Low69 Ų6967.1 Ų67.135%0.35438%0.376SS..  trans-75.5117.5172.6-54.8179.7000108.2Q300 L304 L307Q300-I302 VanDerWaalsContact C-N 3.28Å; Q300-I302 HydrophobicContact CB-CG1 4.3Å; Q300-I302 PolarHBondContact O-N 3.38Å; I302-L304 PolarHBondContact O-N 2.84Å; I302-L307 HydrophobicContact CG2-CD1 3.92Å; I302-L307 HydrophobicContact CG2-CD2 3.96Å; I302-L307 HydrophobicContact CG2-CG 3.99Å
303N53.8Low67Low92 Ų9273.5 Ų73.549%0.49241%0.41SS..  trans-62.1108.4174.8-80.4-43.4000110.5V301 D305 Q306V301-N303 PolarHBondContact O-N 3.4Å; N303-D305 PolarHBondContact O-N 2.84Å; N303-Q306 HydrophobicContact CB-CB 4.36Å; N303-Q306 HydrophobicContact CB-CG 4.08Å; N303-Q306 PolarHBondContact O-N 2.92Å
304L56.3Low65.8Low96 Ų9672.3 Ų72.350%0.50339%0.393SS..THydrogen-bonded Turntrans-61.2-16.6-176.9-77.6154.2000113.9I302 L307 K312I302-L304 PolarHBondContact O-N 2.84Å; L304-L307 HydrophobicContact CD2-CD1 4.33Å; L304-K312 WeakPolarHBondContact O-CE 3.3Å; L304-K312 PolarHBondContact O-NZ 2.9Å
305D54.9Low64.2Low142 Ų14275.1 Ų75.176%0.75941%0.414SS*.THydrogen-bonded Turntrans-90.1-12178-55.8-46.4000113.7N303 K312N303-D305 PolarHBondContact O-N 2.84Å; D305-K312 IonicContact OD1-NZ 3.83Å
306Q59.9Low62.5Low154 Ų15477.3 Ų77.372%0.7243%0.428SS*.SBendtrans-94.1-5.2173-64.5-178-8.900112.7N303N303-Q306 HydrophobicContact CB-CB 4.36Å; N303-Q306 HydrophobicContact CB-CG 4.08Å; N303-Q306 PolarHBondContact O-N 2.92Å
307L67.6Low60.8Low28 Ų2876.5 Ų76.515%0.14743%0.427CS..SBendtrans-85.8137.1177.1-68.7177.2000111.8A168 I302 L304 W311A168-L307 HydrophobicContact CB-CD2 3.67Å; I302-L307 HydrophobicContact CG2-CD1 3.92Å; I302-L307 HydrophobicContact CG2-CD2 3.96Å; I302-L307 HydrophobicContact CG2-CG 3.99Å; L304-L307 HydrophobicContact CD2-CD1 4.33Å; L307-W311 HydrophobicContact CB-CB 4.4Å
308H65.8Low58.8Low78 Ų7878.2 Ų78.236%0.36144%0.439SS..  trans-59.1141169.9-178-95.9000110.4G205 S310 W311G205-H308 PolarHBondContact O-N 2.7Å; H308-S310 PolarHBondContact ND1-OG 3.41Å; H308-S310 PolarHBondContact O-N 2.78Å; H308-W311 WeakPolarHBondContact O-CB 3.23Å; H308-W311 PolarHBondContact O-N 3.46Å
309S65.8Low56.9Low89 Ų8980.2 Ų80.262%0.62244%0.444SS*.G310 helixtrans-56-31.5-166.654.50000114.3W311 K312S309-W311 PolarHBondContact O-N 2.99Å; S309-W311 VanDerWaalsContact O-N 3.16Å; S309-K312 PolarHBondContact O-N 3.45Å
310S70.9Confident55.5Low27 Ų2780.1 Ų80.119%0.18943%0.426CS..G310 helixtrans-50-36.7173.358.50000113.5D208 Y209 H308 K312D208-S310 VanDerWaalsContact OD1-CB 3.27Å; D208-S310 WeakPolarHBondContact OD1-CB 3.44Å; D208-S310 PolarHBondContact OD1-OG 3.14Å; Y209-S310 PolarHBondContact N-OG 3Å; H308-S310 PolarHBondContact ND1-OG 3.41Å; H308-S310 PolarHBondContact O-N 2.78Å; S310-K312 PolarHBondContact O-N 2.89Å
311W72.6Confident54.7Low18 Ų1883.6 Ų83.67%0.06844%0.441CS..G310 helixtrans-77.3-16.2-173.1-67.387.9000114.1I166 A168 S204 L207 Y209 L307 H308 S309 N313 V314I166-W311 HydrophobicContact CB-CH2 4.47Å; I166-W311 HydrophobicContact CG2-CH2 4.16Å; I166-W311 VanDerWaalsContact O-CZ3 3.31Å; I166-W311 WeakPolarHBondContact O-CZ3 3.2Å; A168-W311 HydrophobicContact CB-CD2 4.22Å; A168-W311 HydrophobicContact CB-CE3 3.81Å; A168-W311 HydrophobicContact CB-CZ3 3.96Å; S204-W311 VanDerWaalsContact O-CZ2 3.29Å; S204-W311 WeakPolarHBondContact O-CZ2 3.48Å; S204-W311 PolarHBondContact O-NE1 3.42Å; L207-W311 PolarHBondContact O-NE1 3Å; Y209-W311 HydrophobicContact CD2-CD2 4.23Å; Y209-W311 AromaticContact CD2-CE3 3.99Å; Y209-W311 HydrophobicContact CD2-CE3 3.99Å; Y209-W311 AromaticContact CD2-CH2 3.72Å; Y209-W311 HydrophobicContact CD2-CH2 3.72Å; Y209-W311 AromaticContact CD2-CZ2 3.94Å; Y209-W311 HydrophobicContact CD2-CZ2 3.94Å; Y209-W311 AromaticContact CD2-CZ3 3.74Å; Y209-W311 HydrophobicContact CD2-CZ3 3.74Å; Y209-W311 HydrophobicContact CE2-CH2 4.35Å; Y209-W311 HydrophobicContact CE2-CZ3 4.18Å; L307-W311 HydrophobicContact CB-CB 4.4Å; H308-W311 WeakPolarHBondContact O-CB 3.23Å; H308-W311 PolarHBondContact O-N 3.46Å; S309-W311 PolarHBondContact O-N 2.99Å; S309-W311 VanDerWaalsContact O-N 3.16Å; W311-N313 PolarHBondContact O-N 3.39Å; W311-V314 PolarHBondContact O-N 2.91Å
312K62.4Low53.7Low90 Ų9082.2 Ų82.239%0.39144%0.437SS..G310 helixtrans-65.8-29.3-175.7-62.3-164.3174.5-161.50112.7L304 D305 S309 S310 R319L304-K312 WeakPolarHBondContact O-CE 3.3Å; L304-K312 PolarHBondContact O-NZ 2.9Å; D305-K312 IonicContact OD1-NZ 3.83Å; S309-K312 PolarHBondContact O-N 3.45Å; S310-K312 PolarHBondContact O-N 2.89Å; K312-R319 PolarHBondContact O-NH1 3.35Å
313N58.5Low52.4Low153 Ų15384.3 Ų84.382%0.81845%0.453SS*.G310 helixtrans-100.4-5.5178.9-64.8-3000113.9W311W311-N313 PolarHBondContact O-N 3.39Å
314V58.6Low51.2Low21 Ų2186.1 Ų86.113%0.12746%0.462CS..SBendtrans-71.3130175.5173.90000108.5Y209 W311 S316Y209-V314 HydrophobicContact CD1-CG2 4.08Å; Y209-V314 HydrophobicContact CD2-CG1 4.21Å; Y209-V314 HydrophobicContact CD2-CG2 3.69Å; Y209-V314 HydrophobicContact CE1-CG2 4.25Å; Y209-V314 HydrophobicContact CE2-CB 4.46Å; Y209-V314 HydrophobicContact CE2-CG1 3.68Å; Y209-V314 HydrophobicContact CE2-CG2 3.87Å; Y209-V314 HydrophobicContact CG-CG2 3.8Å; W311-V314 PolarHBondContact O-N 2.91Å; V314-S316 PolarHBondContact O-N 3.47Å
315P52.2Low49.9Very low77 Ų7786.6 Ų86.650%0.547%0.465SS..  trans-72.8100.317131-33.2000108.6L320P315-L320 HydrophobicContact CB-CD2 3.65Å; P315-L320 HydrophobicContact CB-CG 4.09Å; P315-L320 HydrophobicContact CG-CD2 4.09Å
316S51.5Low48.8Very low51 Ų5184.3 Ų84.336%0.35746%0.458SS..  trans-60.4155.2169.957.60000110.5V314 N318 R319 L320V314-S316 PolarHBondContact O-N 3.47Å; S316-N318 PolarHBondContact O-N 3.01Å; S316-N318 VanDerWaalsContact O-N 3.09Å; S316-R319 WeakPolarHBondContact O-CA 3.29Å; S316-R319 PolarHBondContact O-N 3.32Å; S316-R319 PolarHBondContact OG-N 3.23Å; S316-L320 PolarHBondContact O-N 2.84Å
317V48.3Very low47.4Very low41 Ų4184.1 Ų84.125%0.24846%0.457CS..Hα-helixtrans-55-31.6176.3-173.90000111.3A165 E167A165-V317 HydrophobicContact CB-CG2 4.24Å; E167-V317 HydrophobicContact CG-CG2 4.26Å
318N40.1Very low45.7Very low82 Ų8292.2 Ų92.244%0.43949%0.491SS..Hα-helixtrans-71.7-21.9174.3-61-17.2000114.6S316S316-N318 PolarHBondContact O-N 3.01Å; S316-N318 VanDerWaalsContact O-N 3.09Å
319R33.3Very low44.1Very low124 Ų12497.4 Ų97.447%0.46852%0.518SS..Hα-helixtrans-92.1-33.4174.9-82.4-175.2179.3165.1-1.6113.3K312 S316 K321 S322K312-R319 PolarHBondContact O-NH1 3.35Å; S316-R319 WeakPolarHBondContact O-CA 3.29Å; S316-R319 PolarHBondContact O-N 3.32Å; S316-R319 PolarHBondContact OG-N 3.23Å; R319-K321 PolarHBondContact O-N 3.37Å; R319-S322 PolarHBondContact O-N 3.19Å
320L33.4Very low42.6Very low70 Ų7099.5 Ų99.537%0.36652%0.521SS..Hα-helixtrans-53.6-31.7-177.5-73.2171.4000112.8P315 S316 S322 L324P315-L320 HydrophobicContact CB-CD2 3.65Å; P315-L320 HydrophobicContact CB-CG 4.09Å; P315-L320 HydrophobicContact CG-CD2 4.09Å; S316-L320 PolarHBondContact O-N 2.84Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 2.83Å; L320-L324 HydrophobicContact CD2-CD1 3.42Å; L320-L324 VanDerWaalsContact CD2-CD1 3.42Å
321K38.7Very low40.8Very low124 Ų124105.5 Ų105.554%0.53955%0.55SS.*THydrogen-bonded Turntrans-74.6-7.9179.3-60.7-172.5176.2-171.50115.5P236 R319P236-K321 VanDerWaalsContact CG-NZ 3.3Å; R319-K321 PolarHBondContact O-N 3.37Å
322S27.1Very low38.6Very low100 Ų100110.3 Ų110.370%0.69959%0.587SS**THydrogen-bonded Turntrans-99.8-26.7-178.6-175.40000113.8R319 L320R319-S322 PolarHBondContact O-N 3.19Å; L320-S322 VanDerWaalsContact C-N 3.29Å; L320-S322 PolarHBondContact O-N 2.83Å
323T29Very low37.1Very low113 Ų113118.1 Ų118.169%0.69361%0.614SS**SBendtrans-155.282.7-170.554.90000111.8
324L27.4Very low35.6Very low130 Ų130118.7 Ų118.768%0.68162%0.617SS**  trans-155.3138163.9-108.8156.2000110.3L320L320-L324 HydrophobicContact CD2-CD1 3.42Å; L320-L324 VanDerWaalsContact CD2-CD1 3.42Å
325D28.9Very low34.1Very low106 Ų106121.2 Ų121.257%0.56765%0.647SS**  trans-84.6121.5-177.3-173.2-21.5000110.4Q327D325-Q327 PolarHBondContact O-N 2.86Å; D325-Q327 PolarHBondContact OD1-N 2.76Å
326P32.4Very low32.8Very low94 Ų94120.9 Ų120.961%0.6166%0.657SS**G310 helixtrans-57.5-21.5-175.3-27.635.8000115.7K328 M329P326-K328 PolarHBondContact O-N 2.83Å; P326-M329 PolarHBondContact O-N 3.31Å
327Q30.8Very low31.6Very low150 Ų150127.6 Ų127.670%0.70168%0.683SS**G310 helixtrans-63.9-15.5-171.2-65.4-169.2-2.800114.9D325D325-Q327 PolarHBondContact O-N 2.86Å; D325-Q327 PolarHBondContact OD1-N 2.76Å
328K32.3Very low30.5Very low199 Ų199131.1 Ų131.187%0.86571%0.71SS**G310 helixtrans-93.13.6-178.3-73.8-175.8177.8174.30116.1P326P326-K328 PolarHBondContact O-N 2.83Å
329M31.4Very low29.8Very low187 Ų187139.5 Ų139.592%0.92174%0.735SS**SBendtrans-117.65.3167.4-67.4-166.270.100113.7P326P326-M329 PolarHBondContact O-N 3.31Å
330L33.9Very low29.3Very low133 Ų133138.8 Ų138.870%0.69675%0.749SS**SBendtrans-79.7149170.9-84164.9000111.9S332L330-S332 PolarHBondContact O-N 2.85Å
331L33.3Very low29.1Very low153 Ų153141.3 Ų141.380%0.80177%0.77SS**  trans-59.9127-178.9-68.3153000110.7W333L331-W333 PolarHBondContact O-N 2.81Å
332S27.7Very low28.4Very low119 Ų119142.5 Ų142.583%0.83279%0.787SS**  trans-74.876.5174.262.30000111.3L330L330-S332 PolarHBondContact O-N 2.85Å
333W31Very low28.2Very low253 Ų253145.7 Ų145.796%0.95879%0.791SS**  trans-101.385.4159.4-95.517.6000108.9L331L331-W333 PolarHBondContact O-N 2.81Å
334D26.7Very low28Very low166 Ų166148.7 Ų148.789%0.88880%0.797SS**  trans-146.2154.3148.9-157.3-3000109.1
335G26.8Very low27.7Very low73 Ų73147 Ų14775%0.75380%0.802SS**  trans-140.294.5-168.300000113.3
336G25.6Very low27.5Very low70 Ų70147.8 Ų147.872%0.72282%0.816SS**  trans154.6144165.600000116
337E25.3Very low27.1Very low192 Ų192148.9 Ų148.990%0.89783%0.825SS**  trans55.273.1144-49.5-151.6151.300120.6
338S25.6Very low26.8Very low115 Ų115146.1 Ų146.180%0.80483%0.829SS**  35.4102.1115.7-55.50000120
339R24.7Very low26.5Very low258 Ų258142.5 Ų142.597%0.97482%0.823SS**  trans-160.8159.8134.5-113.4160.3-174.1172.72.8114.3
340S23Very low26.2Very low109 Ų109140 Ų14076%0.76281%0.814SS**  trans-101.5161.5-170.650.90000113.2
341P30.5Very low25.7Very low124 Ų124139.3 Ų139.381%0.80582%0.815SS**  trans-91.4168.5-159.736.7-37.9000115.3
342V23Very low25.3Very low148 Ų148139.8 Ų139.890%0.89782%0.818SS**  trans-128.3148167.6-178.60000110.7
343Q23.1Very low25.2Very low167 Ų167139.5 Ų139.578%0.7881%0.812SS**  trans-87.8-175.7-159.6-168.9174.6-40.100114.5
344E23.8Very low24.8Very low176 Ų176135.1 Ų135.182%0.82281%0.807SS**  trans86.2148.5162-59.5-171.8-179.800118.5
345A22.8Very low24.8Very low94 Ų94131.4 Ų131.478%0.77779%0.794SS**  cis-164.2172.7-21.100000110.6
346S24.1Very low24.7Very low124 Ų124135.2 Ų135.287%0.86779%0.793SS**  trans-120.2138.9-172.4-44.60000115.1
347S23.2Very low24.6Very low116 Ų116139.4 Ų139.481%0.81179%0.793SS**  trans-165.6134.2155.1350000108.1
348A25.9Very low24.5Very low93 Ų93137.8 Ų137.877%0.76979%0.791SS**  68.4148.864.100000112.7
349T25.1Very low24.5Very low123 Ų123138.2 Ų138.276%0.75579%0.791SS**  cis-99.5-155.54.553.80000110.7
350D24.7Very low24.5Very low134 Ų134130.6 Ų130.672%0.71778%0.783SS**  cis-156.3-179.55.8-133.6-44000113
351T24.7Very low24.5Very low119 Ų119132.9 Ų132.973%0.7379%0.787SS**  trans-141.9152.4178.449.70000112
352D23.1Very low24.3Very low162 Ų162133.5 Ų133.587%0.86679%0.788SS**  trans-151154.7150.1-133.6-24.7000112.6
353T26.6Very low24.4Very low114 Ų114130.6 Ų130.670%0.69978%0.78SS**  trans-142143-166.254.20000113.7
354N23.6Very low24.3Very low160 Ų160127.5 Ų127.586%0.85678%0.777SS**  trans-164.5152138.4-107.1-43000114.1
355S26.1Very low24.3Very low88 Ų88126.2 Ų126.262%0.61578%0.781SS**  trans-75173.6165.655.10000110.3
356Q24Very low24.3Very low154 Ų154126 Ų12672%0.7277%0.774SS**  cis-171.117933.9-146.3165.7-8800106.7
357E24.5Very low24.3Very low157 Ų157125.2 Ų125.273%0.73477%0.768SS**  cis-141.5157.112.9-48-156.3103.300112.1
358D22.6Very low24.5Very low158 Ų158127.4 Ų127.485%0.84577%0.77SS**  trans-84151.3160.7-77.2-53.8000110.5
359P26Very low24.4Very low125 Ų125127.9 Ų127.981%0.81277%0.767SS**  -131145.3110.936.4-30.3000113.1
360A23.7Very low24.6Very low98 Ų98129.1 Ų129.181%0.8177%0.769SS**  trans-72.4145.6-178.900000112.9
361D23Very low24.6Very low157 Ų157128.1 Ų128.184%0.8477%0.772SS**  trans-139.2152.4150.7-143.2-22.6000111.8A363D361-A363 PolarHBondContact O-N 3.36Å
362T27Very low25Very low136 Ų136128 Ų12883%0.83477%0.772SS**  trans-90.8102.9-156.4-54.50000112.5
363A23.9Very low25.6Very low88 Ų88123 Ų12373%0.72776%0.757SS**  trans-111.3119.7167.400000110.6D361 V365D361-A363 PolarHBondContact O-N 3.36Å; A363-V365 PolarHBondContact O-N 3Å
364S22.2Very low26.9Very low101 Ų101122.4 Ų122.471%0.70675%0.747SS**  trans-64.3122.2178.541.70000111.1S366S364-S366 PolarHBondContact O-N 3.06Å; S364-S366 PolarHBondContact O-OG 3.32Å
365V24Very low28.9Very low150 Ų150118.9 Ų118.991%0.90973%0.731SS**  trans-67.181.5169-165.60000107.9A363 S367A363-V365 PolarHBondContact O-N 3Å; V365-S367 PolarHBondContact O-N 3.25Å
366S22.4Very low31.4Very low89 Ų89119 Ų11962%0.62272%0.72SS**  trans-64.3126.1-174.4-64.60000108.1S364 L368S364-S366 PolarHBondContact O-N 3.06Å; S364-S366 PolarHBondContact O-OG 3.32Å; S366-L368 PolarHBondContact O-N 3.46Å
367S24.7Very low34.4Very low107 Ų107112.2 Ų112.275%0.74869%0.688SS**  trans-45.9113-17750.20000110.7V365 S369V365-S367 PolarHBondContact O-N 3.25Å; S367-S369 PolarHBondContact O-N 3.23Å
368L26.1Very low37.4Very low163 Ų163105 Ų10585%0.85365%0.654SS**  trans-67.183.4164-76.5174.6000107.5S366 L370S366-L368 PolarHBondContact O-N 3.46Å; L368-L370 HydrophobicContact CB-CD1 4.49Å; L368-L370 PolarHBondContact O-N 3.19Å
369S24Very low40.7Very low102 Ų10297.4 Ų97.471%0.71361%0.614SS**  trans-62.390.7162.6530000106.9S367 S371S367-S369 PolarHBondContact O-N 3.23Å; S369-S371 VanDerWaalsContact C-N 3.3Å; S369-S371 PolarHBondContact O-N 2.88Å
370L28.9Very low43.8Very low150 Ų15091.6 Ų91.679%0.78558%0.576SS**  trans-54.3103.5160.5-96.467.8000106L368 T372L368-L370 HydrophobicContact CB-CD1 4.49Å; L368-L370 PolarHBondContact O-N 3.19Å; L370-T372 PolarHBondContact O-N 2.97Å; L370-T372 VanDerWaalsContact O-N 3.12Å
371S24.5Very low47.1Very low113 Ų11386.9 Ų86.979%0.7954%0.537SS*.  trans-58.4117.7168.241.40000106.7S369 G373S369-S371 VanDerWaalsContact C-N 3.3Å; S369-S371 PolarHBondContact O-N 2.88Å; S371-G373 PolarHBondContact O-N 3.05Å
372T33.3Very low50.3Low117 Ų11779.4 Ų79.472%0.71850%0.497SS*.  trans-72.168.3176.738.50000109.7L370 H374L370-T372 PolarHBondContact O-N 2.97Å; L370-T372 VanDerWaalsContact O-N 3.12Å; T372-H374 VanDerWaalsContact C-N 3.28Å; T372-H374 PolarHBondContact O-CD2 2.9Å; T372-H374 PolarHBondContact O-N 2.79Å
373G36Very low53.3Low55 Ų5573.1 Ų73.157%0.56746%0.458SS*.  trans-67.587.2171.500000109.3S371 T375S371-G373 PolarHBondContact O-N 3.05Å; G373-T375 PolarHBondContact O-N 3.17Å
374H54Low56.3Low102 Ų10270.8 Ų70.847%0.47244%0.437SS..  trans-66.582171.7-69.6-90000109.8H265 T372 K376H265-H374 PolarHBondContact O-CE1 3.36Å; T372-H374 VanDerWaalsContact C-N 3.28Å; T372-H374 PolarHBondContact O-CD2 2.9Å; T372-H374 PolarHBondContact O-N 2.79Å; H374-K376 PolarHBondContact O-N 2.55Å
375T66Low59.3Low86 Ų8667.9 Ų67.953%0.52842%0.415SS..  trans-70.6112.1167.143.60000108.5G373G373-T375 PolarHBondContact O-N 3.17Å
376K79.3Confident62.4Low91 Ų9161 Ų6140%0.39637%0.373SS..PPolyproline II helixtrans-64.1136.2174.4-70.1-165.6-175.8-1680110.3H374 F472 N495 K496 N497 T499H374-K376 PolarHBondContact O-N 2.55Å; K376-F472 WeakPolarHBondContact O-CE1 3.41Å; K376-F472 WeakPolarHBondContact O-CZ 3.34Å; K376-N495 PolarHBondContact NZ-O 3.39Å; K376-K496 VanDerWaalsContact CE-O 3.28Å; K376-K496 WeakPolarHBondContact CE-O 3.18Å; K376-N497 CarbonylContact C-O 3.58Å; K376-N497 VanDerWaalsContact CA-O 3.29Å; K376-N497 WeakPolarHBondContact CA-O 3.36Å; K376-T499 WeakPolarHBondContact CB-OG1 3.28Å
377R86.6Confident65.5Low11 Ų1156.8 Ų56.84%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-85.8170.3-173.8-54.2-173179.1-164.4-2.7112.4H265 E415 P473 D475 N497 Y498 T499H265-R377 PolarHBondContact CD2-NH2 3.47Å; H265-R377 VanDerWaalsContact CD2-NH2 3.28Å; H265-R377 PolarHBondContact NE2-NH2 3.41Å; R377-E415 IonicContact CZ-OE1 2.9Å; R377-E415 IonicContact CZ-OE2 2.69Å; R377-E415 IonicContact NH1-OE1 3.32Å; R377-E415 IonicContact NH1-OE2 3.31Å; R377-E415 PolarHBondContact NH1-OE2 3.08Å; R377-E415 VanDerWaalsContact NH2-CD 3.31Å; R377-E415 IonicContact NH2-OE1 3.13Å; R377-E415 PolarHBondContact NH2-OE1 2.89Å; R377-E415 IonicContact NH2-OE2 3.86Å; R377-E415 PolarHBondContact NH2-OE2 3.43Å; R377-P473 WeakPolarHBondContact CA-O 3.5Å; R377-P473 HydrophobicContact CB-CB 4.49Å; R377-P473 HydrophobicContact CB-CG 4.43Å; R377-P473 WeakPolarHBondContact CB-O 3.46Å; R377-P473 HydrophobicContact CG-CB 3.98Å; R377-P473 HydrophobicContact CG-CG 3.96Å; R377-D475 WeakPolarHBondContact CD-OD1 3.4Å; R377-D475 IonicContact CZ-OD1 2.79Å; R377-D475 IonicContact NE-OD1 3.63Å; R377-D475 IonicContact NH1-OD1 2.8Å; R377-D475 PolarHBondContact NH1-OD1 2.91Å; R377-D475 IonicContact NH1-OD2 2.7Å; R377-N497 PolarHBondContact N-O 3.31Å; R377-Y498 HydrophobicContact CB-CD1 3.73Å; R377-Y498 HydrophobicContact CB-CE1 3.81Å; R377-Y498 CarbonylContact O-C 3.6Å; R377-Y498 VanDerWaalsContact O-CA 3.27Å; R377-Y498 WeakPolarHBondContact O-CA 3.41Å; R377-T499 PolarHBondContact O-N 3.5Å
378I88.1Confident68.4Low5 Ų553.9 Ų53.93%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-87145.4157.6-65.5161.8000107.1L458 F472 P473 L474 D475 L500 V502I378-L458 HydrophobicContact CD1-CD1 4Å; I378-F472 HydrophobicContact CB-CD1 4.45Å; I378-F472 HydrophobicContact CD1-CB 4.25Å; I378-F472 HydrophobicContact CD1-CD1 3.63Å; I378-F472 HydrophobicContact CD1-CE1 4.27Å; I378-F472 HydrophobicContact CD1-CG 4.11Å; I378-F472 HydrophobicContact CG1-CD1 3.59Å; I378-F472 HydrophobicContact CG1-CE1 3.78Å; I378-P473 PolarHBondContact N-O 2.78Å; I378-L474 HydrophobicContact CB-CD1 3.76Å; I378-L474 HydrophobicContact CG2-CD1 3.55Å; I378-D475 PolarHBondContact O-N 2.69Å; I378-L500 WeakPolarHBondContact CA-O 3.39Å; I378-L500 HydrophobicContact CG1-CB 4.4Å; I378-V502 HydrophobicContact CG2-CG2 4.33Å
379A90Very high71.2Confident0 Ų047.5 Ų47.50%029%0.291CS..EExtended strand (participates in β ladder)trans-114.3127.4167.600000110.9L381 D475 L477 Y498 L500 L501 V502A379-L381 HydrophobicContact CB-CD2 4.42Å; A379-D475 CarbonylContact C-O 3.59Å; A379-D475 WeakPolarHBondContact CA-O 3.42Å; A379-L477 HydrophobicContact CB-CD1 3.66Å; A379-L477 HydrophobicContact CB-CG 4.09Å; A379-Y498 HydrophobicContact CB-CD1 3.66Å; A379-Y498 HydrophobicContact CB-CD2 4.17Å; A379-Y498 HydrophobicContact CB-CE1 3.96Å; A379-Y498 HydrophobicContact CB-CE2 4.45Å; A379-Y498 HydrophobicContact CB-CG 3.81Å; A379-L500 PolarHBondContact N-O 3.2Å; A379-L501 HydrophobicContact CB-CD2 3.79Å; A379-L501 CarbonylContact O-C 3.56Å; A379-L501 WeakPolarHBondContact O-CA 3.26Å; A379-V502 PolarHBondContact O-N 2.86Å
380F92.4Very high74.1Confident2 Ų242.9 Ų42.91%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-94.1114.8168.9-173.4-104.9000109.8F382 L445 T448 L452 L474 D475 L476 L477 V502 M504 I729 L731F380-F382 HydrophobicContact CE1-CB 4.44Å; F380-L445 HydrophobicContact CE1-CD1 4.24Å; F380-T448 HydrophobicContact CE2-CG2 3.95Å; F380-T448 HydrophobicContact CZ-CG2 4.19Å; F380-L452 HydrophobicContact CB-CD1 4.31Å; F380-L452 HydrophobicContact CD2-CD1 3.67Å; F380-L452 HydrophobicContact CE2-CD1 4.38Å; F380-L452 HydrophobicContact CG-CD1 4.27Å; F380-L474 HydrophobicContact CB-CD1 4.25Å; F380-D475 PolarHBondContact N-O 3.19Å; F380-L476 HydrophobicContact CB-CD2 3.86Å; F380-L476 HydrophobicContact CD1-CD2 4.2Å; F380-L476 HydrophobicContact CG-CD2 4.42Å; F380-L477 PolarHBondContact O-N 2.98Å; F380-V502 CarbonylContact C-O 3.34Å; F380-V502 VanDerWaalsContact CA-O 3.31Å; F380-V502 WeakPolarHBondContact CA-O 3.47Å; F380-V502 HydrophobicContact CD2-CB 4.33Å; F380-V502 HydrophobicContact CD2-CG1 4.31Å; F380-V502 WeakPolarHBondContact CD2-O 3.37Å; F380-V502 HydrophobicContact CE2-CG1 4.48Å; F380-M504 HydrophobicContact CE1-CB 4.14Å; F380-M504 HydrophobicContact CZ-CB 3.7Å; F380-I729 HydrophobicContact CE2-CB 4.35Å; F380-I729 HydrophobicContact CE2-CD1 4.49Å; F380-L731 HydrophobicContact CE1-CD1 4.05Å; F380-L731 HydrophobicContact CZ-CD1 4.04Å; F380-L731 HydrophobicContact CZ-CD2 4.19Å; F380-L731 HydrophobicContact CZ-CG 4.35Å
381L91.8Very high76.6Confident0 Ų038.2 Ų38.20%023%0.233CC..EExtended strand (participates in β ladder)trans-88.6120.1-176.8-54.6-174.3000110.4A379 L477 L482 L501 V502 M504 V514A379-L381 HydrophobicContact CB-CD2 4.42Å; L381-L477 WeakPolarHBondContact CA-O 3.42Å; L381-L477 HydrophobicContact CD2-CB 3.97Å; L381-L477 HydrophobicContact CD2-CD1 4.2Å; L381-L482 HydrophobicContact CD2-CD1 4.2Å; L381-L501 HydrophobicContact CD1-CB 4.13Å; L381-L501 HydrophobicContact CD1-CD1 4.32Å; L381-L501 HydrophobicContact CG-CB 4.38Å; L381-V502 PolarHBondContact N-O 3.29Å; L381-M504 PolarHBondContact O-N 3.41Å; L381-V514 HydrophobicContact CD1-CG2 4.42Å
382F91.6Very high79.1Confident0 Ų036.3 Ų36.30%021%0.213CC..EExtended strand (participates in β ladder)trans-126.4167.9-178.769.8-96.8000112.9F380 L386 T387 M406 L476 L477 R478 C479 M504F380-F382 HydrophobicContact CE1-CB 4.44Å; F382-L386 HydrophobicContact CB-CB 4.49Å; F382-L386 HydrophobicContact CB-CD2 3.63Å; F382-L386 HydrophobicContact CD2-CB 4.34Å; F382-L386 HydrophobicContact CD2-CD2 4.17Å; F382-L386 HydrophobicContact CG-CD2 3.89Å; F382-T387 HydrophobicContact CD2-CG2 4.45Å; F382-T387 HydrophobicContact CE2-CG2 3.69Å; F382-T387 HydrophobicContact CZ-CG2 4.44Å; F382-M406 HydrophobicContact CD1-CE 4.14Å; F382-M406 HydrophobicContact CD2-CE 4.26Å; F382-M406 HydrophobicContact CE1-CE 3.72Å; F382-M406 HydrophobicContact CE2-CB 4.23Å; F382-M406 HydrophobicContact CE2-CE 3.89Å; F382-M406 HydrophobicContact CG-CE 4.41Å; F382-M406 HydrophobicContact CZ-CB 3.75Å; F382-M406 HydrophobicContact CZ-CE 3.6Å; F382-M406 HydrophobicContact CZ-CG 4.09Å; F382-L476 HydrophobicContact CD1-CB 3.89Å; F382-L476 HydrophobicContact CE1-CB 3.6Å; F382-L477 VanDerWaalsContact CD1-C 3.48Å; F382-L477 WeakPolarHBondContact CD1-O 3.39Å; F382-L477 PolarHBondContact N-O 2.9Å; F382-R478 HydrophobicContact CD2-CB 4.34Å; F382-R478 HydrophobicContact CD2-CG 4.49Å; F382-R478 HydrophobicContact CE1-CB 4.42Å; F382-R478 HydrophobicContact CE2-CB 3.59Å; F382-R478 HydrophobicContact CE2-CG 3.92Å; F382-R478 HydrophobicContact CZ-CB 3.64Å; F382-R478 HydrophobicContact CZ-CG 4.46Å; F382-C479 PolarHBondContact O-N 3.37Å; F382-C479 PolarHBondContact O-SG 3.26Å; F382-M504 VanDerWaalsContact CA-SD 3.56Å; F382-M504 HydrophobicContact CB-CG 4.49Å; F382-M504 HydrophobicContact CB-SD 3.7Å
383D89.2Confident80.4Confident3 Ų334.3 Ų34.32%0.01622%0.216CC..  trans-112.5169.717863.932.3000114T385 L386 M504 L507 T508 I511D383-T385 PolarHBondContact O-N 2.82Å; D383-T385 VanDerWaalsContact O-N 3.12Å; D383-T385 WeakPolarHBondContact OD1-CA 3.34Å; D383-T385 VanDerWaalsContact OD1-CB 3.25Å; D383-T385 WeakPolarHBondContact OD1-CB 3.44Å; D383-T385 WeakPolarHBondContact OD1-CG2 3.45Å; D383-T385 PolarHBondContact OD1-N 3.45Å; D383-T385 PolarHBondContact OD1-OG1 3.01Å; D383-L386 PolarHBondContact O-N 3.49Å; D383-L386 PolarHBondContact OD1-N 3.14Å; D383-M504 PolarHBondContact N-SD 2.95Å; D383-M504 WeakPolarHBondContact OD1-CE 3.5Å; D383-M504 WeakPolarHBondContact OD2-CE 3.42Å; D383-L507 HydrophobicContact CB-CD2 4.03Å; D383-T508 PolarHBondContact OD2-N 3.47Å; D383-T508 PolarHBondContact OD2-OG1 2.68Å; D383-I511 HydrophobicContact CB-CD1 3.19Å
384S86.8Confident82Confident39 Ų3938 Ų3827%0.27322%0.223SC..Hα-helixtrans-57.9-21.617749.40000115.3L386 T387 A388 E480S384-L386 VanDerWaalsContact C-N 3.3Å; S384-L386 PolarHBondContact O-N 3.13Å; S384-T387 WeakPolarHBondContact CA-OG1 3.47Å; S384-T387 PolarHBondContact O-N 2.92Å; S384-T387 PolarHBondContact O-OG1 3.18Å; S384-A388 WeakPolarHBondContact O-CB 3.23Å; S384-A388 PolarHBondContact O-N 3.31Å; S384-E480 WeakPolarHBondContact CB-OE1 3.42Å; S384-E480 PolarHBondContact N-OE1 3.45Å; S384-E480 VanDerWaalsContact N-OE1 3.09Å; S384-E480 PolarHBondContact OG-OE1 2.96Å
385T86.5Confident82.7Confident41 Ų4134 Ų3425%0.25220%0.204SC..Hα-helixtrans-62.1-42.717880.10000110.1D383 T387 A388 F389D383-T385 PolarHBondContact O-N 2.82Å; D383-T385 VanDerWaalsContact O-N 3.12Å; D383-T385 WeakPolarHBondContact OD1-CA 3.34Å; D383-T385 VanDerWaalsContact OD1-CB 3.25Å; D383-T385 WeakPolarHBondContact OD1-CB 3.44Å; D383-T385 WeakPolarHBondContact OD1-CG2 3.45Å; D383-T385 PolarHBondContact OD1-N 3.45Å; D383-T385 PolarHBondContact OD1-OG1 3.01Å; T385-T387 VanDerWaalsContact C-N 3.34Å; T385-T387 PolarHBondContact O-N 3.24Å; T385-A388 WeakPolarHBondContact O-CB 3.22Å; T385-A388 PolarHBondContact O-N 3.26Å; T385-A388 VanDerWaalsContact O-N 3.08Å; T385-F389 WeakPolarHBondContact O-CD2 3.31Å; T385-F389 WeakPolarHBondContact O-CE2 3.31Å; T385-F389 WeakPolarHBondContact O-CG 3.48Å; T385-F389 PolarHBondContact O-N 3.31Å
386L88.4Confident82.9Confident6 Ų630.8 Ų30.83%0.03119%0.186CC..Hα-helixtrans-58.3-45.1176.2-171.464.4000111.7F382 D383 S384 F389 L390 M406 L445 M504 L731F382-L386 HydrophobicContact CB-CB 4.49Å; F382-L386 HydrophobicContact CB-CD2 3.63Å; F382-L386 HydrophobicContact CD2-CB 4.34Å; F382-L386 HydrophobicContact CD2-CD2 4.17Å; F382-L386 HydrophobicContact CG-CD2 3.89Å; D383-L386 PolarHBondContact O-N 3.49Å; D383-L386 PolarHBondContact OD1-N 3.14Å; S384-L386 VanDerWaalsContact C-N 3.3Å; S384-L386 PolarHBondContact O-N 3.13Å; L386-F389 PolarHBondContact O-N 3.32Å; L386-L390 HydrophobicContact CG-CD1 4.18Å; L386-L390 VanDerWaalsContact O-CG 3.26Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 2.89Å; L386-L390 VanDerWaalsContact O-N 3.08Å; L386-M406 HydrophobicContact CD2-CE 4.13Å; L386-L445 HydrophobicContact CD1-CD2 4.23Å; L386-L445 HydrophobicContact CD2-CD1 4.07Å; L386-L445 HydrophobicContact CD2-CD2 4.22Å; L386-L445 HydrophobicContact CG-CD2 4.5Å; L386-M504 HydrophobicContact CB-SD 4.38Å; L386-L731 HydrophobicContact CD1-CD1 3.94Å; L386-L731 HydrophobicContact CD2-CD1 4.16Å
387T88Confident82.4Confident0 Ų032 Ų320%020%0.203CC..Hα-helixtrans-69.4-31.3176.549.10000113.4F382 S384 T385 L390 M391 M406 F407F382-T387 HydrophobicContact CD2-CG2 4.45Å; F382-T387 HydrophobicContact CE2-CG2 3.69Å; F382-T387 HydrophobicContact CZ-CG2 4.44Å; S384-T387 WeakPolarHBondContact CA-OG1 3.47Å; S384-T387 PolarHBondContact O-N 2.92Å; S384-T387 PolarHBondContact O-OG1 3.18Å; T385-T387 VanDerWaalsContact C-N 3.34Å; T385-T387 PolarHBondContact O-N 3.24Å; T387-L390 PolarHBondContact O-N 2.86Å; T387-M391 WeakPolarHBondContact O-CB 3.5Å; T387-M391 WeakPolarHBondContact O-CE 3.02Å; T387-M391 VanDerWaalsContact O-CG 3.32Å; T387-M391 WeakPolarHBondContact O-CG 3.2Å; T387-M391 PolarHBondContact O-N 3.48Å; T387-M406 HydrophobicContact CG2-CB 3.56Å; T387-M406 HydrophobicContact CG2-CE 4.4Å; T387-F407 HydrophobicContact CG2-CB 4.28Å
388A85.7Confident81.9Confident46 Ų4635 Ų3538%0.3822%0.22SC..Hα-helixtrans-66.6-43.5175.500000111.1S384 T385 M391 M392S384-A388 WeakPolarHBondContact O-CB 3.23Å; S384-A388 PolarHBondContact O-N 3.31Å; T385-A388 WeakPolarHBondContact O-CB 3.22Å; T385-A388 PolarHBondContact O-N 3.26Å; T385-A388 VanDerWaalsContact O-N 3.08Å; A388-M391 PolarHBondContact O-N 2.7Å; A388-M392 WeakPolarHBondContact O-CG 3.48Å
389F84.8Confident81.7Confident28 Ų2834.8 Ų34.812%0.12322%0.219CC..Hα-helixtrans-61.1-47.4173.7-52.7-38.7000111.4T385 L386 M391 M392 L395 Y438 H441 M697T385-F389 WeakPolarHBondContact O-CD2 3.31Å; T385-F389 WeakPolarHBondContact O-CE2 3.31Å; T385-F389 WeakPolarHBondContact O-CG 3.48Å; T385-F389 PolarHBondContact O-N 3.31Å; L386-F389 PolarHBondContact O-N 3.32Å; F389-M391 PolarHBondContact O-N 3.02Å; F389-M392 HydrophobicContact CD1-CE 4.35Å; F389-M392 WeakPolarHBondContact O-CB 3.46Å; F389-M392 WeakPolarHBondContact O-CG 3.31Å; F389-M392 PolarHBondContact O-N 3.5Å; F389-M392 VanDerWaalsContact O-N 3.14Å; F389-L395 WeakPolarHBondContact O-CD1 3.34Å; F389-Y438 HydrophobicContact CB-CD1 4.11Å; F389-Y438 AromaticContact CD1-CD1 3.55Å; F389-Y438 HydrophobicContact CD1-CD1 3.55Å; F389-Y438 AromaticContact CD1-CE1 3.45Å; F389-Y438 HydrophobicContact CD1-CE1 3.45Å; F389-Y438 VanDerWaalsContact CD1-CE1 3.45Å; F389-Y438 HydrophobicContact CE1-CD1 4.25Å; F389-Y438 AromaticContact CE1-CE1 3.79Å; F389-Y438 HydrophobicContact CE1-CE1 3.79Å; F389-Y438 AromaticContact CG-CD1 3.98Å; F389-Y438 HydrophobicContact CG-CD1 3.98Å; F389-Y438 HydrophobicContact CG-CE1 4.33Å; F389-H441 AromaticContact CD2-ND1 3.7Å; F389-H441 AromaticContact CE2-ND1 3.77Å; F389-M697 HydrophobicContact CE1-CE 4.23Å; F389-M697 HydrophobicContact CZ-CE 4.21Å
390L85.1Confident81.4Confident5 Ų540.5 Ų40.53%0.02624%0.243CC..Hα-helixtrans-67.3-19.2179.2-65.7169.4000114L386 T387 L399 A403 M406 F420 L424 L445L386-L390 HydrophobicContact CG-CD1 4.18Å; L386-L390 VanDerWaalsContact O-CG 3.26Å; L386-L390 WeakPolarHBondContact O-CG 3.4Å; L386-L390 PolarHBondContact O-N 2.89Å; L386-L390 VanDerWaalsContact O-N 3.08Å; T387-L390 PolarHBondContact O-N 2.86Å; L390-L399 HydrophobicContact CD2-CD1 4.36Å; L390-L399 HydrophobicContact CD2-CD2 3.88Å; L390-L399 HydrophobicContact CD2-CG 4.28Å; L390-A403 HydrophobicContact CB-CB 3.66Å; L390-M406 HydrophobicContact CD1-CE 3.94Å; L390-M406 HydrophobicContact CD1-SD 3.96Å; L390-F420 HydrophobicContact CD1-CE2 4.38Å; L390-F420 HydrophobicContact CD1-CZ 3.96Å; L390-F420 HydrophobicContact CD2-CZ 4.48Å; L390-L424 HydrophobicContact CD2-CD2 4.14Å; L390-L445 HydrophobicContact CD1-CD2 4.11Å; L390-L445 HydrophobicContact CD2-CD2 4.48Å
391M79.8Confident81Confident52 Ų5241.6 Ų41.626%0.25625%0.251SS..THydrogen-bonded Turntrans-86.5-4.7174.4-79.3-169.5-7700114.1M243 T387 A388 F389 A403 V404 F407M243-M391 HydrophobicContact CE-SD 4.43Å; T387-M391 WeakPolarHBondContact O-CB 3.5Å; T387-M391 WeakPolarHBondContact O-CE 3.02Å; T387-M391 VanDerWaalsContact O-CG 3.32Å; T387-M391 WeakPolarHBondContact O-CG 3.2Å; T387-M391 PolarHBondContact O-N 3.48Å; A388-M391 PolarHBondContact O-N 2.7Å; F389-M391 PolarHBondContact O-N 3.02Å; M391-A403 HydrophobicContact CG-CB 3.63Å; M391-V404 HydrophobicContact SD-CG2 4.12Å; M391-F407 HydrophobicContact CE-CB 4.42Å; M391-F407 HydrophobicContact CE-CD2 4.16Å; M391-F407 HydrophobicContact CE-CG 4.31Å
392M77.4Confident80.8Confident74 Ų7441.9 Ų41.937%0.36525%0.253SS..SBendtrans-68.2132.5177.9-64.2-160.8179.300111.4A388 F389 N394 Y438A388-M392 WeakPolarHBondContact O-CG 3.48Å; F389-M392 HydrophobicContact CD1-CE 4.35Å; F389-M392 WeakPolarHBondContact O-CB 3.46Å; F389-M392 WeakPolarHBondContact O-CG 3.31Å; F389-M392 PolarHBondContact O-N 3.5Å; F389-M392 VanDerWaalsContact O-N 3.14Å; M392-N394 PolarHBondContact O-N 2.9Å; M392-Y438 HydrophobicContact CE-CD1 4.43Å; M392-Y438 HydrophobicContact CE-CE1 3.85Å; M392-Y438 HydrophobicContact CE-CE2 4.05Å; M392-Y438 HydrophobicContact SD-CD1 4.16Å; M392-Y438 HydrophobicContact SD-CD2 3.58Å; M392-Y438 VanDerWaalsContact SD-CD2 3.58Å; M392-Y438 HydrophobicContact SD-CE1 4.03Å; M392-Y438 HydrophobicContact SD-CE2 3.45Å; M392-Y438 WeakPolarHBondContact SD-CE2 3.34Å; M392-Y438 HydrophobicContact SD-CG 3.96Å
393G61.8Low80.7Confident75 Ų7541.9 Ų41.977%0.77325%0.253SS*.THydrogen-bonded Turntrans-66.5-4.1-16500000116.9
394N68.4Low80.6Confident133 Ų13342.2 Ų42.271%0.71126%0.255SS*.THydrogen-bonded Turntrans-99.1-6.6-171.3-61.12000113.8M392M392-N394 PolarHBondContact O-N 2.9Å
395L69.1Low80.6Confident17 Ų1740.6 Ų40.69%0.08924%0.243CC..SBendtrans-85.6-66.3-174.2-63.6174.5000113.1F389 L399 V427 F439F389-L395 WeakPolarHBondContact O-CD1 3.34Å; L395-L399 HydrophobicContact CB-CD2 3.73Å; L395-L399 HydrophobicContact CD1-CD2 3.87Å; L395-L399 HydrophobicContact CG-CD2 4.45Å; L395-V427 HydrophobicContact CB-CG2 4.38Å; L395-V427 HydrophobicContact CD2-CG1 4.03Å; L395-F439 HydrophobicContact CD2-CD1 3.68Å; L395-F439 HydrophobicContact CD2-CE1 3.71Å; L395-F439 HydrophobicContact CD2-CG 4.15Å; L395-F439 HydrophobicContact CD2-CZ 4.23Å
396S70.6Confident80.8Confident19 Ų1938.6 Ų38.613%0.13323%0.231CC..  trans-161.8141.6172.2156.70000109.3N398 L399 E423S396-N398 VanDerWaalsContact C-N 3.26Å; S396-N398 PolarHBondContact O-N 3.4Å; S396-N398 PolarHBondContact OG-N 3.43Å; S396-L399 PolarHBondContact O-N 3.39Å; S396-L399 PolarHBondContact OG-N 2.91Å; S396-E423 PolarHBondContact OG-OE2 3.25Å
397P68.9Low80.8Confident116 Ų11641.2 Ų41.275%0.75324%0.242SC*.THydrogen-bonded Turntrans-64.2-31.3177.627.1-34.8000112.5K400P397-K400 WeakPolarHBondContact O-CB 3.46Å
398N76.3Confident80.7Confident75 Ų7542 Ų4240%0.40125%0.246SC..THydrogen-bonded Turntrans-78.7-33.2179.2-69-0.5000111.8S396 K400 S401 E423S396-N398 VanDerWaalsContact C-N 3.26Å; S396-N398 PolarHBondContact O-N 3.4Å; S396-N398 PolarHBondContact OG-N 3.43Å; N398-K400 PolarHBondContact O-N 3.47Å; N398-K400 VanDerWaalsContact O-N 3.1Å; N398-S401 PolarHBondContact O-N 2.7Å; N398-S401 PolarHBondContact O-OG 2.95Å; N398-E423 HydrophobicContact CB-CG 3.87Å; N398-E423 WeakPolarHBondContact CB-OE2 3.48Å; N398-E423 PolarHBondContact ND2-OE1 3.26Å
399L82.8Confident80.7Confident0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-57-29.5177.4-17068.8000111.9L390 L395 S396 S401 H402 A403 F420 E423 L424 V427L390-L399 HydrophobicContact CD2-CD1 4.36Å; L390-L399 HydrophobicContact CD2-CD2 3.88Å; L390-L399 HydrophobicContact CD2-CG 4.28Å; L395-L399 HydrophobicContact CB-CD2 3.73Å; L395-L399 HydrophobicContact CD1-CD2 3.87Å; L395-L399 HydrophobicContact CG-CD2 4.45Å; S396-L399 PolarHBondContact O-N 3.39Å; S396-L399 PolarHBondContact OG-N 2.91Å; L399-S401 PolarHBondContact O-N 3.45Å; L399-H402 PolarHBondContact O-N 3.11Å; L399-A403 WeakPolarHBondContact O-CB 3.43Å; L399-A403 PolarHBondContact O-N 3.34Å; L399-F420 HydrophobicContact CD1-CD2 3.83Å; L399-F420 HydrophobicContact CD1-CE2 3.49Å; L399-F420 VanDerWaalsContact CD1-CE2 3.49Å; L399-F420 HydrophobicContact CD1-CZ 4.46Å; L399-E423 HydrophobicContact CD1-CB 4.37Å; L399-L424 HydrophobicContact CD1-CD2 3.71Å; L399-L424 HydrophobicContact CD1-CG 4.04Å; L399-L424 HydrophobicContact CD2-CD2 4.27Å; L399-V427 HydrophobicContact CD2-CG2 4.31Å
400K83.9Confident80.8Confident119 Ų11938.7 Ų38.752%0.51722%0.223SC..Hα-helixtrans-61.1-34.7176.6-171.2175.8179.5176.50114P397 N398 A403 V404P397-K400 WeakPolarHBondContact O-CB 3.46Å; N398-K400 PolarHBondContact O-N 3.47Å; N398-K400 VanDerWaalsContact O-N 3.1Å; K400-A403 PolarHBondContact O-N 3.5Å; K400-V404 HydrophobicContact CG-CG2 4.43Å; K400-V404 WeakPolarHBondContact O-CB 3.34Å; K400-V404 VanDerWaalsContact O-CG2 3.3Å; K400-V404 WeakPolarHBondContact O-CG2 3.36Å; K400-V404 PolarHBondContact O-N 2.78Å
401S84.2Confident81Confident26 Ų2639.1 Ų39.118%0.18223%0.225CC..Hα-helixtrans-69-42.7177.965.80000110.8N398 L399 V404 T405N398-S401 PolarHBondContact O-N 2.7Å; N398-S401 PolarHBondContact O-OG 2.95Å; L399-S401 PolarHBondContact O-N 3.45Å; S401-V404 PolarHBondContact O-N 3.29Å; S401-T405 WeakPolarHBondContact O-CB 3.43Å; S401-T405 PolarHBondContact O-N 3.48Å; S401-T405 PolarHBondContact O-OG1 3.34Å
402H88.1Confident81.5Confident5 Ų536.8 Ų36.82%0.02321%0.214CC..Hα-helixtrans-61.1-43.6171.7-68-78.2000111.9L399 T405 M406 S419 F420L399-H402 PolarHBondContact O-N 3.11Å; H402-T405 WeakPolarHBondContact O-CB 3.42Å; H402-T405 PolarHBondContact O-N 3.09Å; H402-M406 WeakPolarHBondContact O-CG 3.42Å; H402-M406 PolarHBondContact O-N 3.13Å; H402-S419 PolarHBondContact NE2-OG 3.21Å; H402-F420 HydrophobicContact CB-CD2 3.49Å; H402-F420 VanDerWaalsContact CB-CD2 3.49Å; H402-F420 HydrophobicContact CB-CE2 3.9Å; H402-F420 HydrophobicContact CB-CG 4.47Å; H402-F420 AromaticContact CG-CD2 3.71Å
403A88.2Confident82Confident0 Ų034 Ų340%020%0.201CC..Hα-helixtrans-64.1-41.517800000113L390 M391 L399 K400 T405 M406 F407L390-A403 HydrophobicContact CB-CB 3.66Å; M391-A403 HydrophobicContact CG-CB 3.63Å; L399-A403 WeakPolarHBondContact O-CB 3.43Å; L399-A403 PolarHBondContact O-N 3.34Å; K400-A403 PolarHBondContact O-N 3.5Å; A403-T405 VanDerWaalsContact C-N 3.34Å; A403-M406 PolarHBondContact O-N 3.44Å; A403-F407 WeakPolarHBondContact O-CB 3.38Å; A403-F407 PolarHBondContact O-N 2.91Å
404V87Confident83.2Confident11 Ų1131.6 Ų31.67%0.06717%0.171CC..Hα-helixtrans-65-37.9172.5168.70000111.2F241 M243 M391 K400 S401 F407 E408F241-V404 HydrophobicContact CB-CG1 4.15Å; M243-V404 HydrophobicContact CE-CG2 3.86Å; M243-V404 HydrophobicContact SD-CG1 4.02Å; M243-V404 HydrophobicContact SD-CG2 4.18Å; M391-V404 HydrophobicContact SD-CG2 4.12Å; K400-V404 HydrophobicContact CG-CG2 4.43Å; K400-V404 WeakPolarHBondContact O-CB 3.34Å; K400-V404 VanDerWaalsContact O-CG2 3.3Å; K400-V404 WeakPolarHBondContact O-CG2 3.36Å; K400-V404 PolarHBondContact O-N 2.78Å; S401-V404 PolarHBondContact O-N 3.29Å; V404-F407 PolarHBondContact O-N 2.9Å; V404-E408 HydrophobicContact CG1-CG 4.22Å; V404-E408 WeakPolarHBondContact O-CB 3.23Å; V404-E408 PolarHBondContact O-N 3.24Å
405T88.4Confident84Confident4 Ų428.6 Ų28.63%0.02515%0.152CC..Hα-helixtrans-61.4-49.4174-51.10000110.9P237 L238 S401 H402 A403 F407 V409 G410 L412P237-T405 WeakPolarHBondContact CA-OG1 3.33Å; L238-T405 HydrophobicContact CG-CG2 4.46Å; L238-T405 PolarHBondContact N-OG1 2.78Å; S401-T405 WeakPolarHBondContact O-CB 3.43Å; S401-T405 PolarHBondContact O-N 3.48Å; S401-T405 PolarHBondContact O-OG1 3.34Å; H402-T405 WeakPolarHBondContact O-CB 3.42Å; H402-T405 PolarHBondContact O-N 3.09Å; A403-T405 VanDerWaalsContact C-N 3.34Å; T405-F407 PolarHBondContact O-N 3.25Å; T405-V409 HydrophobicContact CG2-CB 4.24Å; T405-V409 HydrophobicContact CG2-CG2 3.81Å; T405-V409 WeakPolarHBondContact O-CA 3.43Å; T405-V409 VanDerWaalsContact O-CB 3.26Å; T405-V409 WeakPolarHBondContact O-CB 3.37Å; T405-V409 PolarHBondContact O-N 3.18Å; T405-G410 PolarHBondContact O-N 3.38Å; T405-L412 HydrophobicContact CG2-CD1 4.42Å
406M89.1Confident84.8Confident0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-59.3-32.2175.9-74.3172.569.200112.8F382 L386 T387 L390 H402 A403 G410 L412 F420 L476F382-M406 HydrophobicContact CD1-CE 4.14Å; F382-M406 HydrophobicContact CD2-CE 4.26Å; F382-M406 HydrophobicContact CE1-CE 3.72Å; F382-M406 HydrophobicContact CE2-CB 4.23Å; F382-M406 HydrophobicContact CE2-CE 3.89Å; F382-M406 HydrophobicContact CG-CE 4.41Å; F382-M406 HydrophobicContact CZ-CB 3.75Å; F382-M406 HydrophobicContact CZ-CE 3.6Å; F382-M406 HydrophobicContact CZ-CG 4.09Å; L386-M406 HydrophobicContact CD2-CE 4.13Å; T387-M406 HydrophobicContact CG2-CB 3.56Å; T387-M406 HydrophobicContact CG2-CE 4.4Å; L390-M406 HydrophobicContact CD1-CE 3.94Å; L390-M406 HydrophobicContact CD1-SD 3.96Å; H402-M406 WeakPolarHBondContact O-CG 3.42Å; H402-M406 PolarHBondContact O-N 3.13Å; A403-M406 PolarHBondContact O-N 3.44Å; M406-G410 WeakPolarHBondContact O-CA 3.48Å; M406-L412 HydrophobicContact CG-CB 3.85Å; M406-L412 HydrophobicContact CG-CD2 4.31Å; M406-L412 HydrophobicContact CG-CG 4.49Å; M406-L412 HydrophobicContact SD-CD2 4.18Å; M406-F420 HydrophobicContact SD-CE1 4.47Å; M406-F420 HydrophobicContact SD-CE2 4.19Å; M406-F420 HydrophobicContact SD-CZ 3.88Å; M406-L476 HydrophobicContact CE-CD1 3.97Å; M406-L476 HydrophobicContact SD-CD1 4.29Å
407F88.3Confident85.5Confident60 Ų6027.6 Ų27.626%0.26315%0.147SC..Hα-helixtrans-80-51.2178.2-171.8-92.7000113.1M243 T387 M391 A403 V404 T405 R478M243-F407 HydrophobicContact SD-CD1 4.43Å; T387-F407 HydrophobicContact CG2-CB 4.28Å; M391-F407 HydrophobicContact CE-CB 4.42Å; M391-F407 HydrophobicContact CE-CD2 4.16Å; M391-F407 HydrophobicContact CE-CG 4.31Å; A403-F407 WeakPolarHBondContact O-CB 3.38Å; A403-F407 PolarHBondContact O-N 2.91Å; V404-F407 PolarHBondContact O-N 2.9Å; T405-F407 PolarHBondContact O-N 3.25Å; F407-R478 VanDerWaalsContact CD2-NH1 3.26Å; F407-R478 VanDerWaalsContact CE2-NH1 3.29Å; F407-R478 PolarHBondContact O-NH1 2.98Å
408E86.4Confident86.4Confident16 Ų1625.6 Ų25.68%0.07513%0.13CC..Hα-helixtrans-86.4-43.3-171.3-70.5-68.7145.200113.6L238 F241 M243 Y256 V404 G410L238-E408 HydrophobicContact CD1-CB 4.3Å; F241-E408 HydrophobicContact CD1-CG 3.88Å; F241-E408 HydrophobicContact CE1-CB 4.24Å; F241-E408 HydrophobicContact CE1-CG 3.7Å; F241-E408 WeakPolarHBondContact CE1-OE2 3.46Å; F241-E408 HydrophobicContact CZ-CG 4.47Å; M243-E408 HydrophobicContact CG-CG 3.97Å; M243-E408 WeakPolarHBondContact CG-OE1 3.48Å; M243-E408 HydrophobicContact SD-CG 3.88Å; Y256-E408 WeakPolarHBondContact CD1-O 3.25Å; Y256-E408 WeakPolarHBondContact CE1-O 3.48Å; Y256-E408 WeakPolarHBondContact CE1-OE2 3.47Å; Y256-E408 PolarHBondContact OH-OE2 3.47Å; V404-E408 HydrophobicContact CG1-CG 4.22Å; V404-E408 WeakPolarHBondContact O-CB 3.23Å; V404-E408 PolarHBondContact O-N 3.24Å; E408-G410 VanDerWaalsContact C-N 3.34Å
409V86.5Confident86.9Confident5 Ų524.9 Ų24.93%0.0313%0.131CC..THydrogen-bonded Turntrans-77.5-28.2174.2-171.40000110.1V235 L238 F259 V260 T405 K411V235-V409 HydrophobicContact CG1-CG1 4.3Å; V235-V409 HydrophobicContact CG1-CG2 4.27Å; L238-V409 HydrophobicContact CD1-CG2 3.5Å; L238-V409 HydrophobicContact CG-CG2 3.94Å; F259-V409 HydrophobicContact CB-CG1 4.04Å; F259-V409 HydrophobicContact CD1-CG1 4.47Å; F259-V409 HydrophobicContact CD2-CG2 4.46Å; F259-V409 HydrophobicContact CG-CG1 4.26Å; V260-V409 VanDerWaalsContact CG2-O 3.31Å; V260-V409 WeakPolarHBondContact CG2-O 3.3Å; T405-V409 HydrophobicContact CG2-CB 4.24Å; T405-V409 HydrophobicContact CG2-CG2 3.81Å; T405-V409 WeakPolarHBondContact O-CA 3.43Å; T405-V409 VanDerWaalsContact O-CB 3.26Å; T405-V409 WeakPolarHBondContact O-CB 3.37Å; T405-V409 PolarHBondContact O-N 3.18Å; V409-K411 HydrophobicContact CG1-CB 4.45Å; V409-K411 PolarHBondContact O-N 2.93Å
410G86.4Confident87.3Confident0 Ų024.9 Ų24.90%013%0.131CC..SBendtrans72.95.3-175.400000114.4T405 M406 E408 L477 R478 S481T405-G410 PolarHBondContact O-N 3.38Å; M406-G410 WeakPolarHBondContact O-CA 3.48Å; E408-G410 VanDerWaalsContact C-N 3.34Å; G410-L477 WeakPolarHBondContact O-CA 3.4Å; G410-R478 PolarHBondContact O-N 3.36Å; G410-S481 WeakPolarHBondContact CA-OG 3.46Å
411K89.8Confident87.5Confident15 Ų1520 Ų207%0.06511%0.11CC..EExtended strand (participates in β ladder)trans-141.7139.1179.9173.3170.9170.31720110I262 D263 V409 D475 L476 L477 Y498I262-K411 PolarHBondContact O-NZ 3.11Å; D263-K411 IonicContact OD2-NZ 3.89Å; D263-K411 PolarHBondContact OD2-NZ 3.18Å; V409-K411 HydrophobicContact CG1-CB 4.45Å; V409-K411 PolarHBondContact O-N 2.93Å; K411-D475 WeakPolarHBondContact CE-OD2 3.14Å; K411-D475 IonicContact NZ-OD2 2.73Å; K411-D475 PolarHBondContact NZ-OD2 2.95Å; K411-L476 CarbonylContact C-O 3.6Å; K411-L476 WeakPolarHBondContact CA-O 3.37Å; K411-L477 HydrophobicContact CB-CD2 3.82Å; K411-L477 HydrophobicContact CD-CD2 3.99Å; K411-L477 HydrophobicContact CG-CD2 3.76Å; K411-Y498 PolarHBondContact NZ-OH 3.23Å
412L90.3Very high87.6Confident3 Ų323.2 Ų23.22%0.01612%0.124CC..EExtended strand (participates in β ladder)trans-122.7122.7161.7-17175.9000106.9T405 M406 S416 L417 F420 D475 L476T405-L412 HydrophobicContact CG2-CD1 4.42Å; M406-L412 HydrophobicContact CG-CB 3.85Å; M406-L412 HydrophobicContact CG-CD2 4.31Å; M406-L412 HydrophobicContact CG-CG 4.49Å; M406-L412 HydrophobicContact SD-CD2 4.18Å; L412-S416 WeakPolarHBondContact CD1-OG 3.45Å; L412-S416 WeakPolarHBondContact CG-OG 3.38Å; L412-L417 HydrophobicContact CD2-CD1 4.29Å; L412-F420 HydrophobicContact CD2-CB 3.96Å; L412-F420 HydrophobicContact CD2-CD1 3.69Å; L412-F420 HydrophobicContact CD2-CD2 4.24Å; L412-F420 HydrophobicContact CD2-CE1 4.15Å; L412-F420 HydrophobicContact CD2-CG 3.72Å; L412-D475 CarbonylContact O-C 3.52Å; L412-D475 WeakPolarHBondContact O-CA 3.43Å; L412-L476 HydrophobicContact CB-CB 4.22Å; L412-L476 HydrophobicContact CB-CD1 4.47Å; L412-L476 HydrophobicContact CB-CG 4.42Å; L412-L476 HydrophobicContact CD2-CD1 3.9Å; L412-L476 HydrophobicContact CD2-CG 4.5Å; L412-L476 PolarHBondContact N-O 3.42Å; L412-L476 PolarHBondContact O-N 2.92Å
413S88Confident87.5Confident14 Ų1423.5 Ų23.510%0.09813%0.126CC..  trans-95.6158.4-172.8780000113E415 S416 L417 D475S413-E415 WeakPolarHBondContact CB-OE2 3.11Å; S413-E415 PolarHBondContact O-N 2.87Å; S413-E415 VanDerWaalsContact O-N 3.09Å; S413-E415 PolarHBondContact OG-OE2 3.42Å; S413-S416 PolarHBondContact N-OG 2.84Å; S413-S416 WeakPolarHBondContact O-CA 3.22Å; S413-S416 PolarHBondContact O-N 3.42Å; S413-S416 PolarHBondContact O-OG 3.44Å; S413-L417 PolarHBondContact O-N 3.47Å; S413-L417 VanDerWaalsContact O-N 3.14Å; S413-D475 VanDerWaalsContact CA-OD1 3.28Å; S413-D475 WeakPolarHBondContact CA-OD1 3.27Å
414D86Confident87.4Confident25 Ų2523.5 Ų23.513%0.13413%0.126CC..Hα-helixtrans-48.8-37.6-179.9-165.583.8000113.3S416 L417 R453 P473 L474 D475D414-S416 VanDerWaalsContact C-N 3.26Å; D414-S416 PolarHBondContact O-N 2.94Å; D414-L417 WeakPolarHBondContact O-CB 3.34Å; D414-L417 PolarHBondContact O-N 3.43Å; D414-L417 VanDerWaalsContact O-N 3.09Å; D414-R453 IonicContact OD1-NE 3.7Å; D414-R453 PolarHBondContact OD1-NE 3.2Å; D414-R453 IonicContact OD1-NH2 2.66Å; D414-R453 IonicContact OD2-CZ 2.74Å; D414-R453 IonicContact OD2-NE 3.26Å; D414-R453 IonicContact OD2-NH2 3.54Å; D414-R453 PolarHBondContact OD2-NH2 3.29Å; D414-P473 HydrophobicContact CB-CB 4.11Å; D414-P473 WeakPolarHBondContact OD1-CA 3.39Å; D414-L474 VanDerWaalsContact CA-O 3.3Å; D414-L474 WeakPolarHBondContact CA-O 3.29Å; D414-L474 WeakPolarHBondContact CB-O 3.35Å; D414-L474 PolarHBondContact N-O 3.01Å; D414-L474 PolarHBondContact OD1-N 2.87Å; D414-D475 PolarHBondContact N-OD1 3.44Å; D414-D475 VanDerWaalsContact N-OD1 3.14Å
415E84.9Confident87.3Confident71 Ų7128.8 Ų28.833%0.33215%0.15SC..Hα-helixtrans-62.3-30177.7-58.193.8155.400113.8E264 H265 R377 S413E264-E415 WeakPolarHBondContact CB-OE1 3.37Å; E264-E415 WeakPolarHBondContact CG-OE1 3.45Å; H265-E415 IonicContact NE2-OE1 2.74Å; R377-E415 IonicContact CZ-OE1 2.9Å; R377-E415 IonicContact CZ-OE2 2.69Å; R377-E415 IonicContact NH1-OE1 3.32Å; R377-E415 IonicContact NH1-OE2 3.31Å; R377-E415 PolarHBondContact NH1-OE2 3.08Å; R377-E415 VanDerWaalsContact NH2-CD 3.31Å; R377-E415 IonicContact NH2-OE1 3.13Å; R377-E415 PolarHBondContact NH2-OE1 2.89Å; R377-E415 IonicContact NH2-OE2 3.86Å; R377-E415 PolarHBondContact NH2-OE2 3.43Å; S413-E415 WeakPolarHBondContact CB-OE2 3.11Å; S413-E415 PolarHBondContact O-N 2.87Å; S413-E415 VanDerWaalsContact O-N 3.09Å; S413-E415 PolarHBondContact OG-OE2 3.42Å
416S85.8Confident87Confident14 Ų1433.9 Ų33.910%0.09817%0.171CC..Hα-helixtrans-93.7-11176.965.70000113.3L412 S413 D414 S419 F420L412-S416 WeakPolarHBondContact CD1-OG 3.45Å; L412-S416 WeakPolarHBondContact CG-OG 3.38Å; S413-S416 PolarHBondContact N-OG 2.84Å; S413-S416 WeakPolarHBondContact O-CA 3.22Å; S413-S416 PolarHBondContact O-N 3.42Å; S413-S416 PolarHBondContact O-OG 3.44Å; D414-S416 VanDerWaalsContact C-N 3.26Å; D414-S416 PolarHBondContact O-N 2.94Å; S416-S419 PolarHBondContact O-N 3.3Å; S416-F420 PolarHBondContact O-N 2.95Å
417L86.6Confident86.5Confident0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-72-35.1-171.1-166.169000112.6L412 S413 D414 F420 L421 I449 L474 L476L412-L417 HydrophobicContact CD2-CD1 4.29Å; S413-L417 PolarHBondContact O-N 3.47Å; S413-L417 VanDerWaalsContact O-N 3.14Å; D414-L417 WeakPolarHBondContact O-CB 3.34Å; D414-L417 PolarHBondContact O-N 3.43Å; D414-L417 VanDerWaalsContact O-N 3.09Å; L417-F420 HydrophobicContact CD1-CD1 4.22Å; L417-F420 WeakPolarHBondContact O-CB 3.29Å; L417-F420 PolarHBondContact O-N 2.68Å; L417-L421 HydrophobicContact CG-CD1 4.49Å; L417-L421 WeakPolarHBondContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CG 3.34Å; L417-L421 PolarHBondContact O-N 2.95Å; L417-I449 HydrophobicContact CD1-CD1 4.13Å; L417-I449 HydrophobicContact CD1-CG2 4.07Å; L417-I449 HydrophobicContact CD2-CG2 3.77Å; L417-I449 HydrophobicContact CG-CG2 3.97Å; L417-L474 HydrophobicContact CD2-CB 4Å; L417-L474 HydrophobicContact CD2-CD2 4.22Å; L417-L474 HydrophobicContact CD2-CG 4.43Å; L417-L476 HydrophobicContact CD1-CD1 4.21Å; L417-L476 HydrophobicContact CD1-CD2 4.39Å; L417-L476 HydrophobicContact CD1-CG 4.15Å
418D87Confident85.4Confident75 Ų7538.2 Ų38.240%0.40119%0.193SC..Hα-helixtrans-65.3-37.8175.6-78.3-48.1000112L421 I422 R453D418-L421 PolarHBondContact O-N 3.24Å; D418-I422 WeakPolarHBondContact O-CD1 3.47Å; D418-I422 VanDerWaalsContact O-CG1 3.31Å; D418-I422 WeakPolarHBondContact O-CG1 3.3Å; D418-I422 PolarHBondContact O-N 3.06Å; D418-I422 VanDerWaalsContact O-N 3.09Å; D418-R453 VanDerWaalsContact CG-NH1 3.32Å; D418-R453 IonicContact OD1-CZ 2.71Å; D418-R453 IonicContact OD1-NH1 2.72Å; D418-R453 PolarHBondContact OD1-NH1 3.41Å; D418-R453 IonicContact OD1-NH2 3.23Å; D418-R453 IonicContact OD2-CZ 2.94Å; D418-R453 IonicContact OD2-NH1 2.67Å; D418-R453 PolarHBondContact OD2-NH1 3.41Å; D418-R453 IonicContact OD2-NH2 2.95Å; D418-R453 PolarHBondContact OD2-NH2 3.4Å
419S88.3Confident84.2Confident60 Ų6041.4 Ų41.442%0.4222%0.217SC..Hα-helixtrans-63.4-43.2171.7-178.50000111.4H402 S416 I422 E423H402-S419 PolarHBondContact NE2-OG 3.21Å; S416-S419 PolarHBondContact O-N 3.3Å; S419-I422 PolarHBondContact O-N 2.89Å; S419-E423 PolarHBondContact O-N 2.96Å
420F89.3Confident82.8Confident0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-64.5-40.7178-179.2-120.2000112.3L390 L399 H402 M406 L412 S416 L417 E423 L424 L445 I449 L476L390-F420 HydrophobicContact CD1-CE2 4.38Å; L390-F420 HydrophobicContact CD1-CZ 3.96Å; L390-F420 HydrophobicContact CD2-CZ 4.48Å; L399-F420 HydrophobicContact CD1-CD2 3.83Å; L399-F420 HydrophobicContact CD1-CE2 3.49Å; L399-F420 VanDerWaalsContact CD1-CE2 3.49Å; L399-F420 HydrophobicContact CD1-CZ 4.46Å; H402-F420 HydrophobicContact CB-CD2 3.49Å; H402-F420 VanDerWaalsContact CB-CD2 3.49Å; H402-F420 HydrophobicContact CB-CE2 3.9Å; H402-F420 HydrophobicContact CB-CG 4.47Å; H402-F420 AromaticContact CG-CD2 3.71Å; M406-F420 HydrophobicContact SD-CE1 4.47Å; M406-F420 HydrophobicContact SD-CE2 4.19Å; M406-F420 HydrophobicContact SD-CZ 3.88Å; L412-F420 HydrophobicContact CD2-CB 3.96Å; L412-F420 HydrophobicContact CD2-CD1 3.69Å; L412-F420 HydrophobicContact CD2-CD2 4.24Å; L412-F420 HydrophobicContact CD2-CE1 4.15Å; L412-F420 HydrophobicContact CD2-CG 3.72Å; S416-F420 PolarHBondContact O-N 2.95Å; L417-F420 HydrophobicContact CD1-CD1 4.22Å; L417-F420 WeakPolarHBondContact O-CB 3.29Å; L417-F420 PolarHBondContact O-N 2.68Å; F420-E423 PolarHBondContact O-N 2.86Å; F420-L424 HydrophobicContact CD1-CD1 3.85Å; F420-L424 HydrophobicContact CE1-CD1 3.53Å; F420-L424 HydrophobicContact CE1-CG 4.36Å; F420-L424 HydrophobicContact CE2-CD1 4.34Å; F420-L424 HydrophobicContact CE2-CG 4.32Å; F420-L424 HydrophobicContact CG-CD1 4.39Å; F420-L424 HydrophobicContact CZ-CD1 3.81Å; F420-L424 HydrophobicContact CZ-CD2 4.42Å; F420-L424 HydrophobicContact CZ-CG 4.24Å; F420-L424 WeakPolarHBondContact O-CB 3.49Å; F420-L424 WeakPolarHBondContact O-CG 3.26Å; F420-L424 PolarHBondContact O-N 3.35Å; F420-L445 HydrophobicContact CE1-CD2 3.87Å; F420-L445 HydrophobicContact CZ-CD2 3.8Å; F420-I449 HydrophobicContact CD1-CD1 4.13Å; F420-I449 HydrophobicContact CE1-CD1 3.87Å; F420-L476 HydrophobicContact CD1-CD1 4.42Å; F420-L476 HydrophobicContact CE1-CD1 3.93Å
421L88.2Confident81.5Confident15 Ų1547.4 Ų47.48%0.07926%0.257CS..Hα-helixtrans-63.3-39.5175.2-75.8169000112.4L417 D418 L424 E425 R446 I449 L450L417-L421 HydrophobicContact CG-CD1 4.49Å; L417-L421 WeakPolarHBondContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CG 3.34Å; L417-L421 PolarHBondContact O-N 2.95Å; D418-L421 PolarHBondContact O-N 3.24Å; L421-L424 PolarHBondContact O-N 3.04Å; L421-E425 WeakPolarHBondContact O-CB 3.24Å; L421-E425 PolarHBondContact O-N 3.06Å; L421-R446 HydrophobicContact CD2-CB 4.45Å; L421-R446 HydrophobicContact CD2-CG 3.9Å; L421-I449 HydrophobicContact CD1-CG2 3.95Å; L421-I449 HydrophobicContact CD2-CB 4.14Å; L421-I449 HydrophobicContact CD2-CG2 3.77Å; L421-I449 HydrophobicContact CG-CG2 4.13Å; L421-L450 HydrophobicContact CD1-CD2 4.11Å; L421-L450 HydrophobicContact CD2-CD2 4.37Å; L421-L450 HydrophobicContact CD2-CG 4.25Å
422I87Confident80Confident94 Ų9455.4 Ų55.448%0.48230%0.295SS..Hα-helixtrans-65.7-37.7174.8-70.8164.5000111.2D418 S419 E425 K426D418-I422 WeakPolarHBondContact O-CD1 3.47Å; D418-I422 VanDerWaalsContact O-CG1 3.31Å; D418-I422 WeakPolarHBondContact O-CG1 3.3Å; D418-I422 PolarHBondContact O-N 3.06Å; D418-I422 VanDerWaalsContact O-N 3.09Å; S419-I422 PolarHBondContact O-N 2.89Å; I422-E425 PolarHBondContact O-N 2.73Å; I422-K426 WeakPolarHBondContact O-CG 3.48Å; I422-K426 PolarHBondContact O-N 2.8Å
423E86.1Confident79.1Confident12 Ų1257.9 Ų57.96%0.05632%0.321CS..Hα-helixtrans-71.4-38.8174.3-71.2-58.6153.100112.7S396 N398 L399 S419 F420 E425 K426S396-E423 PolarHBondContact OG-OE2 3.25Å; N398-E423 HydrophobicContact CB-CG 3.87Å; N398-E423 WeakPolarHBondContact CB-OE2 3.48Å; N398-E423 PolarHBondContact ND2-OE1 3.26Å; L399-E423 HydrophobicContact CD1-CB 4.37Å; S419-E423 PolarHBondContact O-N 2.96Å; F420-E423 PolarHBondContact O-N 2.86Å; E423-E425 PolarHBondContact O-N 3.21Å; E423-K426 PolarHBondContact O-N 2.71Å; E423-K426 IonicContact OE1-NZ 2.72Å; E423-K426 PolarHBondContact OE1-NZ 3.16Å; E423-K426 WeakPolarHBondContact OE2-CD 3.48Å; E423-K426 IonicContact OE2-NZ 3.99Å
424L86.1Confident78.1Confident0 Ų063.4 Ų63.40%035%0.345CS..Hα-helixtrans-64.8-21172.5-74175.4000113.5L390 L399 F420 L421 A442 L445 R446L390-L424 HydrophobicContact CD2-CD2 4.14Å; L399-L424 HydrophobicContact CD1-CD2 3.71Å; L399-L424 HydrophobicContact CD1-CG 4.04Å; L399-L424 HydrophobicContact CD2-CD2 4.27Å; F420-L424 HydrophobicContact CD1-CD1 3.85Å; F420-L424 HydrophobicContact CE1-CD1 3.53Å; F420-L424 HydrophobicContact CE1-CG 4.36Å; F420-L424 HydrophobicContact CE2-CD1 4.34Å; F420-L424 HydrophobicContact CE2-CG 4.32Å; F420-L424 HydrophobicContact CG-CD1 4.39Å; F420-L424 HydrophobicContact CZ-CD1 3.81Å; F420-L424 HydrophobicContact CZ-CD2 4.42Å; F420-L424 HydrophobicContact CZ-CG 4.24Å; F420-L424 WeakPolarHBondContact O-CB 3.49Å; F420-L424 WeakPolarHBondContact O-CG 3.26Å; F420-L424 PolarHBondContact O-N 3.35Å; L421-L424 PolarHBondContact O-N 3.04Å; L424-A442 HydrophobicContact CD2-CB 3.95Å; L424-L445 HydrophobicContact CD1-CD2 4.39Å; L424-R446 HydrophobicContact CB-CB 4.25Å; L424-R446 HydrophobicContact CD1-CB 4.1Å
425E84.3Confident77.4Confident122 Ų12263.4 Ų63.457%0.5735%0.349SS*.Hα-helixtrans-84.1-21.5176.2-174.7160.4-93.400113.2L421 I422 E423 V427 R446L421-E425 WeakPolarHBondContact O-CB 3.24Å; L421-E425 PolarHBondContact O-N 3.06Å; I422-E425 PolarHBondContact O-N 2.73Å; E423-E425 PolarHBondContact O-N 3.21Å; E425-V427 VanDerWaalsContact C-N 3.27Å; E425-V427 PolarHBondContact O-N 3.13Å; E425-R446 IonicContact OE1-CZ 2.76Å; E425-R446 IonicContact OE1-NE 2.99Å; E425-R446 IonicContact OE1-NH2 2.62Å; E425-R446 PolarHBondContact OE1-NH2 3.38Å
426K82.6Confident77Confident110 Ų11064.1 Ų64.148%0.47835%0.352SS..SBendtrans-78.4-11.4174.3-65.5168.6-165.3174.60113.4I422 E423 Q428I422-K426 WeakPolarHBondContact O-CG 3.48Å; I422-K426 PolarHBondContact O-N 2.8Å; E423-K426 PolarHBondContact O-N 2.71Å; E423-K426 IonicContact OE1-NZ 2.72Å; E423-K426 PolarHBondContact OE1-NZ 3.16Å; E423-K426 WeakPolarHBondContact OE2-CD 3.48Å; E423-K426 IonicContact OE2-NZ 3.99Å; K426-Q428 PolarHBondContact O-N 2.91Å; K426-Q428 VanDerWaalsContact O-N 3.16Å
427V78.1Confident76.6Confident10 Ų1067.9 Ų67.96%0.06136%0.364CS..  trans-70.9102.3-177.5168.80000109.4L395 L399 E425 F439 A442L395-V427 HydrophobicContact CB-CG2 4.38Å; L395-V427 HydrophobicContact CD2-CG1 4.03Å; L399-V427 HydrophobicContact CD2-CG2 4.31Å; E425-V427 VanDerWaalsContact C-N 3.27Å; E425-V427 PolarHBondContact O-N 3.13Å; V427-F439 HydrophobicContact CG1-CD1 3.43Å; V427-F439 VanDerWaalsContact CG1-CD1 3.43Å; V427-F439 HydrophobicContact CG1-CE1 3.92Å; V427-A442 HydrophobicContact CG1-CB 4.49Å
428Q65.1Low76.3Confident142 Ų14269.9 Ų69.966%0.66437%0.372SS*.  trans-89.1135.1-176.2-63.5-176.510.700112K426 T430 F439K426-Q428 PolarHBondContact O-N 2.91Å; K426-Q428 VanDerWaalsContact O-N 3.16Å; Q428-T430 VanDerWaalsContact C-N 3.32Å; Q428-T430 HydrophobicContact CB-CG2 4.19Å; Q428-T430 PolarHBondContact O-N 3.01Å; Q428-T430 PolarHBondContact O-OG1 3.37Å; Q428-F439 VanDerWaalsContact O-CD1 3.31Å; Q428-F439 WeakPolarHBondContact O-CD1 3.36Å; Q428-F439 WeakPolarHBondContact O-CE1 3.48Å
429S62.4Low76Confident82 Ų8266.7 Ų66.757%0.57335%0.354SS*.  trans-73.178.1176.7176.50000112
430T56.1Low75.8Confident113 Ų11366.7 Ų66.769%0.69335%0.35SS*.  trans-123.35.5-178.554.40000114.4Q428Q428-T430 VanDerWaalsContact C-N 3.32Å; Q428-T430 HydrophobicContact CB-CG2 4.19Å; Q428-T430 PolarHBondContact O-N 3.01Å; Q428-T430 PolarHBondContact O-OG1 3.37Å
431G59.3Low75.6Confident18 Ų1868 Ų6819%0.18636%0.356CS..  trans-94.8139.317500000113.2
432E58.4Low75.6Confident184 Ų18467.4 Ų67.486%0.8635%0.354SS*.  trans-91.1154.2169.3-62.6-178.4162.800111.1A435E432-A435 WeakPolarHBondContact O-CB 3.33Å
433G72.3Confident75.6Confident54 Ų5465.6 Ų65.656%0.55734%0.344SS*.THydrogen-bonded Turntrans66.2-136172.200000114A435 Q436G433-A435 PolarHBondContact O-N 2.98Å; G433-A435 VanDerWaalsContact O-N 3.14Å; G433-Q436 VanDerWaalsContact O-CB 3.27Å; G433-Q436 WeakPolarHBondContact O-CB 3.34Å; G433-Q436 PolarHBondContact O-N 3.04Å
434E67.3Low75.7Confident131 Ų13165 Ų6561%0.61234%0.342SS*.Hα-helixtrans-54.5-33.7-179.5-65.2-170.8165.400113.3Q436 R437 Y438E434-Q436 PolarHBondContact O-N 3.01Å; E434-R437 WeakPolarHBondContact O-CB 3.4Å; E434-R437 PolarHBondContact O-N 2.82Å; E434-R437 VanDerWaalsContact O-N 3.1Å; E434-Y438 HydrophobicContact CB-CE2 4.23Å; E434-Y438 VanDerWaalsContact O-CD2 3.3Å; E434-Y438 WeakPolarHBondContact O-CD2 3.32Å; E434-Y438 WeakPolarHBondContact O-CE2 3.38Å
435A69.8Low75.9Confident25 Ų2565 Ų6521%0.20734%0.342CS..Hα-helixtrans-55.3-42.6178.300000111E432 G433 R437 Y438 F439E432-A435 WeakPolarHBondContact O-CB 3.33Å; G433-A435 PolarHBondContact O-N 2.98Å; G433-A435 VanDerWaalsContact O-N 3.14Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.2Å; A435-Y438 PolarHBondContact O-N 2.96Å; A435-Y438 VanDerWaalsContact O-N 3.13Å; A435-F439 HydrophobicContact CB-CE2 4.25Å; A435-F439 WeakPolarHBondContact O-CD2 3.3Å; A435-F439 PolarHBondContact O-N 3.39Å
436Q76.4Confident76.2Confident85 Ų8561.8 Ų61.840%0.39732%0.324SS..Hα-helixtrans-57.3-40.3179.2-163.4177.6-17.200112.3G433 E434 Y438 F439 D440G433-Q436 VanDerWaalsContact O-CB 3.27Å; G433-Q436 WeakPolarHBondContact O-CB 3.34Å; G433-Q436 PolarHBondContact O-N 3.04Å; E434-Q436 PolarHBondContact O-N 3.01Å; Q436-Y438 VanDerWaalsContact C-N 3.31Å; Q436-Y438 PolarHBondContact O-N 3.38Å; Q436-F439 WeakPolarHBondContact O-CB 3.49Å; Q436-F439 PolarHBondContact O-N 2.96Å; Q436-F439 VanDerWaalsContact O-N 3.09Å; Q436-D440 PolarHBondContact O-N 3.32Å
437R78.3Confident76.5Confident93 Ų9359 Ų5935%0.35132%0.315SS..Hα-helixtrans-59.4-41.6177.9-61.7-177.3178.9160.22111.4E434 A435 F439 D440 H441E434-R437 WeakPolarHBondContact O-CB 3.4Å; E434-R437 PolarHBondContact O-N 2.82Å; E434-R437 VanDerWaalsContact O-N 3.1Å; A435-R437 VanDerWaalsContact C-N 3.3Å; A435-R437 PolarHBondContact O-N 3.2Å; R437-F439 PolarHBondContact O-N 2.9Å; R437-D440 PolarHBondContact O-N 3.11Å; R437-H441 WeakPolarHBondContact O-CB 3.4Å; R437-H441 PolarHBondContact O-CD2 3.41Å; R437-H441 PolarHBondContact O-N 3.47Å
438Y79.9Confident77Confident42 Ų4258.6 Ų58.617%0.16531%0.312CS..Hα-helixtrans-68.2-33.4177.2-49.2-55.9000112.7F389 M392 E434 A435 Q436 A442F389-Y438 HydrophobicContact CB-CD1 4.11Å; F389-Y438 AromaticContact CD1-CD1 3.55Å; F389-Y438 HydrophobicContact CD1-CD1 3.55Å; F389-Y438 AromaticContact CD1-CE1 3.45Å; F389-Y438 HydrophobicContact CD1-CE1 3.45Å; F389-Y438 VanDerWaalsContact CD1-CE1 3.45Å; F389-Y438 HydrophobicContact CE1-CD1 4.25Å; F389-Y438 AromaticContact CE1-CE1 3.79Å; F389-Y438 HydrophobicContact CE1-CE1 3.79Å; F389-Y438 AromaticContact CG-CD1 3.98Å; F389-Y438 HydrophobicContact CG-CD1 3.98Å; F389-Y438 HydrophobicContact CG-CE1 4.33Å; M392-Y438 HydrophobicContact CE-CD1 4.43Å; M392-Y438 HydrophobicContact CE-CE1 3.85Å; M392-Y438 HydrophobicContact CE-CE2 4.05Å; M392-Y438 HydrophobicContact SD-CD1 4.16Å; M392-Y438 HydrophobicContact SD-CD2 3.58Å; M392-Y438 VanDerWaalsContact SD-CD2 3.58Å; M392-Y438 HydrophobicContact SD-CE1 4.03Å; M392-Y438 HydrophobicContact SD-CE2 3.45Å; M392-Y438 WeakPolarHBondContact SD-CE2 3.34Å; M392-Y438 HydrophobicContact SD-CG 3.96Å; E434-Y438 HydrophobicContact CB-CE2 4.23Å; E434-Y438 VanDerWaalsContact O-CD2 3.3Å; E434-Y438 WeakPolarHBondContact O-CD2 3.32Å; E434-Y438 WeakPolarHBondContact O-CE2 3.38Å; A435-Y438 PolarHBondContact O-N 2.96Å; A435-Y438 VanDerWaalsContact O-N 3.13Å; Q436-Y438 VanDerWaalsContact C-N 3.31Å; Q436-Y438 PolarHBondContact O-N 3.38Å; Y438-A442 WeakPolarHBondContact O-CB 3.39Å; Y438-A442 PolarHBondContact O-N 2.57Å; Y438-A442 VanDerWaalsContact O-N 3.13Å
439F80.9Confident78.2Confident8 Ų851.9 Ų51.94%0.03528%0.281CS..Hα-helixtrans-63.6-47.7170.4-69.6-76.1000111.2L395 V427 Q428 A435 Q436 R437 H441 A442 L443L395-F439 HydrophobicContact CD2-CD1 3.68Å; L395-F439 HydrophobicContact CD2-CE1 3.71Å; L395-F439 HydrophobicContact CD2-CG 4.15Å; L395-F439 HydrophobicContact CD2-CZ 4.23Å; V427-F439 HydrophobicContact CG1-CD1 3.43Å; V427-F439 VanDerWaalsContact CG1-CD1 3.43Å; V427-F439 HydrophobicContact CG1-CE1 3.92Å; Q428-F439 VanDerWaalsContact O-CD1 3.31Å; Q428-F439 WeakPolarHBondContact O-CD1 3.36Å; Q428-F439 WeakPolarHBondContact O-CE1 3.48Å; A435-F439 HydrophobicContact CB-CE2 4.25Å; A435-F439 WeakPolarHBondContact O-CD2 3.3Å; A435-F439 PolarHBondContact O-N 3.39Å; Q436-F439 WeakPolarHBondContact O-CB 3.49Å; Q436-F439 PolarHBondContact O-N 2.96Å; Q436-F439 VanDerWaalsContact O-N 3.09Å; R437-F439 PolarHBondContact O-N 2.9Å; F439-H441 PolarHBondContact O-N 2.9Å; F439-A442 PolarHBondContact O-N 2.99Å; F439-L443 WeakPolarHBondContact O-CG 3.41Å; F439-L443 PolarHBondContact O-N 3.03Å
440D83.3Confident79.4Confident60 Ų6050.6 Ų50.632%0.32127%0.267SS..Hα-helixtrans-65.8-38179.3-73.6-41.5000112.7Q436 R437 L443 T444Q436-D440 PolarHBondContact O-N 3.32Å; R437-D440 PolarHBondContact O-N 3.11Å; D440-L443 PolarHBondContact O-N 3.37Å; D440-T444 VanDerWaalsContact O-CB 3.24Å; D440-T444 WeakPolarHBondContact O-CB 3.44Å; D440-T444 PolarHBondContact O-N 3.16Å; D440-T444 PolarHBondContact O-OG1 3.04Å
441H86.5Confident80.8Confident27 Ų2747 Ų4713%0.12524%0.242CC..Hα-helixtrans-61.1-43.9172.6-70.3-164.7000111.2F389 R437 F439 T444 L445F389-H441 AromaticContact CD2-ND1 3.7Å; F389-H441 AromaticContact CE2-ND1 3.77Å; R437-H441 WeakPolarHBondContact O-CB 3.4Å; R437-H441 PolarHBondContact O-CD2 3.41Å; R437-H441 PolarHBondContact O-N 3.47Å; F439-H441 PolarHBondContact O-N 2.9Å; H441-T444 PolarHBondContact O-N 3.13Å; H441-L445 PolarHBondContact O-N 2.83Å
442A86.4Confident82Confident4 Ų446.5 Ų46.53%0.03324%0.235CC..Hα-helixtrans-65.7-42.2179.500000112.4L424 V427 Y438 F439 L445 R446L424-A442 HydrophobicContact CD2-CB 3.95Å; V427-A442 HydrophobicContact CG1-CB 4.49Å; Y438-A442 WeakPolarHBondContact O-CB 3.39Å; Y438-A442 PolarHBondContact O-N 2.57Å; Y438-A442 VanDerWaalsContact O-N 3.13Å; F439-A442 PolarHBondContact O-N 2.99Å; A442-L445 PolarHBondContact O-N 3.41Å; A442-R446 PolarHBondContact O-N 2.85Å
443L87Confident83.2Confident55 Ų5539 Ų3929%0.28820%0.199SC..Hα-helixtrans-67.4-35.9174.2-67.2174.7000112F439 D440 R446 N447F439-L443 WeakPolarHBondContact O-CG 3.41Å; F439-L443 PolarHBondContact O-N 3.03Å; D440-L443 PolarHBondContact O-N 3.37Å; L443-R446 WeakPolarHBondContact O-CB 3.44Å; L443-R446 PolarHBondContact O-N 3.49Å; L443-N447 PolarHBondContact O-N 2.66Å; L443-N447 PolarHBondContact O-ND2 2.97Å
444T89.7Confident83.5Confident0 Ų040.8 Ų40.80%019%0.193CC..Hα-helixtrans-68.5-37.1175.9-58.30000111.7D440 H441 N447 T448 L731 S734 N737D440-T444 VanDerWaalsContact O-CB 3.24Å; D440-T444 WeakPolarHBondContact O-CB 3.44Å; D440-T444 PolarHBondContact O-N 3.16Å; D440-T444 PolarHBondContact O-OG1 3.04Å; H441-T444 PolarHBondContact O-N 3.13Å; T444-N447 PolarHBondContact O-N 3.16Å; T444-T448 WeakPolarHBondContact O-CB 3.48Å; T444-T448 PolarHBondContact O-N 2.84Å; T444-T448 PolarHBondContact O-OG1 2.94Å; T444-L731 WeakPolarHBondContact CB-O 3.47Å; T444-L731 HydrophobicContact CG2-CD2 4.45Å; T444-L731 WeakPolarHBondContact CG2-O 3.33Å; T444-S734 WeakPolarHBondContact OG1-CA 3.49Å; T444-S734 WeakPolarHBondContact OG1-CB 3.45Å; T444-N737 HydrophobicContact CG2-CB 3.45Å; T444-N737 VanDerWaalsContact CG2-CB 3.45Å; T444-N737 VanDerWaalsContact CG2-CG 3.46Å; T444-N737 WeakPolarHBondContact CG2-ND2 3.36Å
445L90.5Very high83.9Confident0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-62-48.4169.9-179.966000111.5F380 L386 L390 F420 L424 H441 A442 N447 T448 I449 L731F380-L445 HydrophobicContact CE1-CD1 4.24Å; L386-L445 HydrophobicContact CD1-CD2 4.23Å; L386-L445 HydrophobicContact CD2-CD1 4.07Å; L386-L445 HydrophobicContact CD2-CD2 4.22Å; L386-L445 HydrophobicContact CG-CD2 4.5Å; L390-L445 HydrophobicContact CD1-CD2 4.11Å; L390-L445 HydrophobicContact CD2-CD2 4.48Å; F420-L445 HydrophobicContact CE1-CD2 3.87Å; F420-L445 HydrophobicContact CZ-CD2 3.8Å; L424-L445 HydrophobicContact CD1-CD2 4.39Å; H441-L445 PolarHBondContact O-N 2.83Å; A442-L445 PolarHBondContact O-N 3.41Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.31Å; L445-T448 WeakPolarHBondContact O-CB 3.22Å; L445-T448 PolarHBondContact O-N 2.87Å; L445-T448 VanDerWaalsContact O-N 3.16Å; L445-I449 HydrophobicContact CD1-CD1 4.08Å; L445-I449 HydrophobicContact CD1-CG1 4.38Å; L445-I449 HydrophobicContact CG-CD1 3.85Å; L445-I449 WeakPolarHBondContact O-CG1 3.23Å; L445-I449 PolarHBondContact O-N 3.46Å; L445-L731 HydrophobicContact CD1-CD1 4.28Å; L445-L731 HydrophobicContact CD1-CD2 4.48Å
446R90Very high83.5Confident55 Ų5541.4 Ų41.421%0.20819%0.19CC..Hα-helixtrans-53.4-47.9174.8177.3-179.2165.2-76.96.7111.3L421 L424 E425 A442 L443 I449 L450L421-R446 HydrophobicContact CD2-CB 4.45Å; L421-R446 HydrophobicContact CD2-CG 3.9Å; L424-R446 HydrophobicContact CB-CB 4.25Å; L424-R446 HydrophobicContact CD1-CB 4.1Å; E425-R446 IonicContact OE1-CZ 2.76Å; E425-R446 IonicContact OE1-NE 2.99Å; E425-R446 IonicContact OE1-NH2 2.62Å; E425-R446 PolarHBondContact OE1-NH2 3.38Å; A442-R446 PolarHBondContact O-N 2.85Å; L443-R446 WeakPolarHBondContact O-CB 3.44Å; L443-R446 PolarHBondContact O-N 3.49Å; R446-I449 PolarHBondContact O-N 3.33Å; R446-L450 HydrophobicContact CG-CD1 4.1Å; R446-L450 VanDerWaalsContact O-CG 3.3Å; R446-L450 WeakPolarHBondContact O-CG 3.46Å; R446-L450 PolarHBondContact O-N 3.14Å
447N88.2Confident82.7Confident52 Ų5240.2 Ų40.228%0.27819%0.186SC..Hα-helixtrans-66-38.1179.6-66-21.2000112.5L443 T444 L445 L450 F451L443-N447 PolarHBondContact O-N 2.66Å; L443-N447 PolarHBondContact O-ND2 2.97Å; T444-N447 PolarHBondContact O-N 3.16Å; L445-N447 VanDerWaalsContact C-N 3.31Å; L445-N447 PolarHBondContact O-N 3.31Å; N447-L450 PolarHBondContact O-N 2.92Å; N447-F451 WeakPolarHBondContact O-CB 3.39Å; N447-F451 PolarHBondContact O-N 3.4Å
448T90.1Very high81.8Confident0 Ų036.3 Ų36.30%017%0.172CC..Hα-helixtrans-62.9-45.7175.1-57.50000111.7F380 T444 L445 F451 L452 I729 L731 N737F380-T448 HydrophobicContact CE2-CG2 3.95Å; F380-T448 HydrophobicContact CZ-CG2 4.19Å; T444-T448 WeakPolarHBondContact O-CB 3.48Å; T444-T448 PolarHBondContact O-N 2.84Å; T444-T448 PolarHBondContact O-OG1 2.94Å; L445-T448 WeakPolarHBondContact O-CB 3.22Å; L445-T448 PolarHBondContact O-N 2.87Å; L445-T448 VanDerWaalsContact O-N 3.16Å; T448-F451 PolarHBondContact O-N 3.27Å; T448-L452 HydrophobicContact CG2-CD1 4.07Å; T448-L452 WeakPolarHBondContact O-CG 3.03Å; T448-L452 PolarHBondContact O-N 3.49Å; T448-I729 HydrophobicContact CG2-CD1 4.08Å; T448-I729 HydrophobicContact CG2-CG2 3.88Å; T448-L731 HydrophobicContact CG2-CD2 4.37Å; T448-L731 WeakPolarHBondContact OG1-CD2 3.29Å; T448-N737 PolarHBondContact OG1-ND2 3.03Å
449I90Very high80.5Confident1 Ų136.2 Ų36.21%0.00518%0.176CC..Hα-helixtrans-61.6-48.6176.9-70.8164.3000110.6L417 F420 L421 L445 R446 F451 L452 R453 L474 L476L417-I449 HydrophobicContact CD1-CD1 4.13Å; L417-I449 HydrophobicContact CD1-CG2 4.07Å; L417-I449 HydrophobicContact CD2-CG2 3.77Å; L417-I449 HydrophobicContact CG-CG2 3.97Å; F420-I449 HydrophobicContact CD1-CD1 4.13Å; F420-I449 HydrophobicContact CE1-CD1 3.87Å; L421-I449 HydrophobicContact CD1-CG2 3.95Å; L421-I449 HydrophobicContact CD2-CB 4.14Å; L421-I449 HydrophobicContact CD2-CG2 3.77Å; L421-I449 HydrophobicContact CG-CG2 4.13Å; L445-I449 HydrophobicContact CD1-CD1 4.08Å; L445-I449 HydrophobicContact CD1-CG1 4.38Å; L445-I449 HydrophobicContact CG-CD1 3.85Å; L445-I449 WeakPolarHBondContact O-CG1 3.23Å; L445-I449 PolarHBondContact O-N 3.46Å; R446-I449 PolarHBondContact O-N 3.33Å; I449-F451 VanDerWaalsContact C-N 3.28Å; I449-F451 PolarHBondContact O-N 3.38Å; I449-L452 PolarHBondContact O-N 3.31Å; I449-R453 WeakPolarHBondContact O-CB 3.27Å; I449-R453 PolarHBondContact O-N 2.91Å; I449-L474 HydrophobicContact CB-CD2 4.35Å; I449-L474 HydrophobicContact CG1-CD2 4.24Å; I449-L474 HydrophobicContact CG2-CD2 4.08Å; I449-L476 HydrophobicContact CD1-CD1 4.17Å; I449-L476 HydrophobicContact CD1-CD2 4.38Å; I449-L476 HydrophobicContact CG1-CD2 4.19Å
450L86.4Confident79Confident55 Ų5539.7 Ų39.729%0.28821%0.205SC..Hα-helixtrans-61-37.3179.1-71173000112.1L421 R446 N447 H454L421-L450 HydrophobicContact CD1-CD2 4.11Å; L421-L450 HydrophobicContact CD2-CD2 4.37Å; L421-L450 HydrophobicContact CD2-CG 4.25Å; R446-L450 HydrophobicContact CG-CD1 4.1Å; R446-L450 VanDerWaalsContact O-CG 3.3Å; R446-L450 WeakPolarHBondContact O-CG 3.46Å; R446-L450 PolarHBondContact O-N 3.14Å; N447-L450 PolarHBondContact O-N 2.92Å; L450-H454 WeakPolarHBondContact O-CB 3.32Å; L450-H454 PolarHBondContact O-N 2.92Å; L450-H454 VanDerWaalsContact O-N 3.11Å; L450-H454 PolarHBondContact O-ND1 3.35Å
451F86.3Confident77.4Confident39 Ų3941.3 Ų41.317%0.17121%0.211CC..Hα-helixtrans-64.6-52.7172.9170.7-102.5000112.2N447 T448 I449 R453 H454 N455 C741 I744 A745N447-F451 WeakPolarHBondContact O-CB 3.39Å; N447-F451 PolarHBondContact O-N 3.4Å; T448-F451 PolarHBondContact O-N 3.27Å; I449-F451 VanDerWaalsContact C-N 3.28Å; I449-F451 PolarHBondContact O-N 3.38Å; F451-R453 VanDerWaalsContact C-N 3.28Å; F451-R453 PolarHBondContact O-N 2.99Å; F451-H454 PolarHBondContact O-N 2.73Å; F451-N455 HydrophobicContact CD2-CB 4.24Å; F451-N455 HydrophobicContact CE2-CB 4.13Å; F451-N455 VanDerWaalsContact CE2-ND2 3.25Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.46Å; F451-N455 VanDerWaalsContact CZ-ND2 3.33Å; F451-N455 WeakPolarHBondContact CZ-ND2 3.18Å; F451-N455 WeakPolarHBondContact O-CB 3.42Å; F451-N455 PolarHBondContact O-N 3.33Å; F451-C741 HydrophobicContact CD1-CB 3.91Å; F451-C741 HydrophobicContact CD2-CB 4.01Å; F451-C741 HydrophobicContact CE1-CB 3.95Å; F451-C741 HydrophobicContact CE2-CB 4.03Å; F451-C741 WeakPolarHBondContact CE2-O 3.41Å; F451-C741 HydrophobicContact CG-CB 3.95Å; F451-C741 HydrophobicContact CZ-CB 4.01Å; F451-C741 WeakPolarHBondContact CZ-O 3.26Å; F451-I744 HydrophobicContact CE1-CB 4.46Å; F451-I744 HydrophobicContact CE1-CD1 4.44Å; F451-I744 HydrophobicContact CE1-CG2 4.25Å; F451-I744 HydrophobicContact CZ-CB 4.12Å; F451-I744 HydrophobicContact CZ-CG2 4.04Å; F451-A745 HydrophobicContact CE2-CB 4.29Å
452L85Confident75.4Confident6 Ų644 Ų443%0.03123%0.23CC..Hα-helixtrans-64.1-30.9-177.7-70.9175.3000113.1F380 T448 I449 L458 L474 V502 I729F380-L452 HydrophobicContact CB-CD1 4.31Å; F380-L452 HydrophobicContact CD2-CD1 3.67Å; F380-L452 HydrophobicContact CE2-CD1 4.38Å; F380-L452 HydrophobicContact CG-CD1 4.27Å; T448-L452 HydrophobicContact CG2-CD1 4.07Å; T448-L452 WeakPolarHBondContact O-CG 3.03Å; T448-L452 PolarHBondContact O-N 3.49Å; I449-L452 PolarHBondContact O-N 3.31Å; L452-L458 WeakPolarHBondContact O-CD1 3.28Å; L452-L474 HydrophobicContact CB-CD1 4.2Å; L452-L474 HydrophobicContact CB-CD2 3.96Å; L452-L474 HydrophobicContact CD1-CD1 4.18Å; L452-L474 HydrophobicContact CD1-CD2 4.29Å; L452-V502 HydrophobicContact CD2-CG2 4.37Å; L452-I729 HydrophobicContact CD2-CD1 4.28Å
453R82.3Confident73.1Confident26 Ų2647.3 Ų47.310%0.09826%0.257CS..Hα-helixtrans-77.9-47.8176.9-158.8-178.5-166.5-155.314112.2D414 D418 I449 F451 G471 F472D414-R453 IonicContact OD1-NE 3.7Å; D414-R453 PolarHBondContact OD1-NE 3.2Å; D414-R453 IonicContact OD1-NH2 2.66Å; D414-R453 IonicContact OD2-CZ 2.74Å; D414-R453 IonicContact OD2-NE 3.26Å; D414-R453 IonicContact OD2-NH2 3.54Å; D414-R453 PolarHBondContact OD2-NH2 3.29Å; D418-R453 VanDerWaalsContact CG-NH1 3.32Å; D418-R453 IonicContact OD1-CZ 2.71Å; D418-R453 IonicContact OD1-NH1 2.72Å; D418-R453 PolarHBondContact OD1-NH1 3.41Å; D418-R453 IonicContact OD1-NH2 3.23Å; D418-R453 IonicContact OD2-CZ 2.94Å; D418-R453 IonicContact OD2-NH1 2.67Å; D418-R453 PolarHBondContact OD2-NH1 3.41Å; D418-R453 IonicContact OD2-NH2 2.95Å; D418-R453 PolarHBondContact OD2-NH2 3.4Å; I449-R453 WeakPolarHBondContact O-CB 3.27Å; I449-R453 PolarHBondContact O-N 2.91Å; F451-R453 VanDerWaalsContact C-N 3.28Å; F451-R453 PolarHBondContact O-N 2.99Å; R453-G471 CarbonylContact O-C 3.39Å; R453-G471 WeakPolarHBondContact O-CA 3.49Å; R453-F472 PolarHBondContact O-N 3.4Å
454H79.5Confident70.8Confident93 Ų9351.8 Ų51.843%0.43128%0.276SS..Hα-helixtrans-100.9-3.9-166.9-54.299.7000115.7L450 F451 K456L450-H454 WeakPolarHBondContact O-CB 3.32Å; L450-H454 PolarHBondContact O-N 2.92Å; L450-H454 VanDerWaalsContact O-N 3.11Å; L450-H454 PolarHBondContact O-ND1 3.35Å; F451-H454 PolarHBondContact O-N 2.73Å; H454-K456 PolarHBondContact O-N 2.99Å
455N74.7Confident68.6Low21 Ų2157.5 Ų57.511%0.11231%0.313CS..  trans-68.8115.1-179.6179.92.3000111.9F451 D457 L458 V459F451-N455 HydrophobicContact CD2-CB 4.24Å; F451-N455 HydrophobicContact CE2-CB 4.13Å; F451-N455 VanDerWaalsContact CE2-ND2 3.25Å; F451-N455 WeakPolarHBondContact CE2-ND2 3.46Å; F451-N455 VanDerWaalsContact CZ-ND2 3.33Å; F451-N455 WeakPolarHBondContact CZ-ND2 3.18Å; F451-N455 WeakPolarHBondContact O-CB 3.42Å; F451-N455 PolarHBondContact O-N 3.33Å; N455-D457 VanDerWaalsContact C-N 3.29Å; N455-D457 PolarHBondContact O-N 3.16Å; N455-D457 PolarHBondContact OD1-N 2.94Å; N455-D457 VanDerWaalsContact OD1-N 3.11Å; N455-L458 HydrophobicContact CB-CD1 3.9Å; N455-L458 HydrophobicContact CB-CG 4Å; N455-L458 VanDerWaalsContact O-CB 3.29Å; N455-L458 WeakPolarHBondContact O-CB 3.35Å; N455-L458 PolarHBondContact O-N 3.47Å; N455-V459 PolarHBondContact O-N 2.82Å
456K63Low66.1Low148 Ų14864.8 Ų64.864%0.64335%0.352SS*.Hα-helixtrans-63.5-27.9-175.6-62.5-178.2-179.4-179.90114H454 L458 V459 A460H454-K456 PolarHBondContact O-N 2.99Å; K456-L458 PolarHBondContact O-N 3.32Å; K456-V459 PolarHBondContact O-N 3.35Å; K456-V459 VanDerWaalsContact O-N 3.14Å; K456-A460 PolarHBondContact O-N 2.9Å
457D57.8Low63.9Low59 Ų5969.3 Ų69.332%0.31638%0.376SS..Hα-helixtrans-69.2-16.9175.4-75.5-83.3000112.9N455 R751N455-D457 VanDerWaalsContact C-N 3.29Å; N455-D457 PolarHBondContact O-N 3.16Å; N455-D457 PolarHBondContact OD1-N 2.94Å; N455-D457 VanDerWaalsContact OD1-N 3.11Å; D457-R751 IonicContact OD1-NH2 3.18Å; D457-R751 PolarHBondContact OD1-NH2 3.35Å
458L60.6Low61.6Low12 Ų1271.4 Ų71.46%0.06339%0.392CS..Hα-helixtrans-79.1-45.7167.1-50.6176.4000110.7I378 L452 N455 K456 A460 C750I378-L458 HydrophobicContact CD1-CD1 4Å; L452-L458 WeakPolarHBondContact O-CD1 3.28Å; N455-L458 HydrophobicContact CB-CD1 3.9Å; N455-L458 HydrophobicContact CB-CG 4Å; N455-L458 VanDerWaalsContact O-CB 3.29Å; N455-L458 WeakPolarHBondContact O-CB 3.35Å; N455-L458 PolarHBondContact O-N 3.47Å; K456-L458 PolarHBondContact O-N 3.32Å; L458-A460 VanDerWaalsContact C-N 3.31Å; L458-A460 PolarHBondContact O-N 3.36Å; L458-C750 HydrophobicContact CD2-CB 3.36Å; L458-C750 WeakPolarHBondContact CD2-SG 3.46Å
459V51.8Low59.5Low40 Ų4078.5 Ų78.524%0.24243%0.43CS..Hα-helixtrans-67.6-27-173.8179.80000113.2N455 K456 Q461 T462 A463 F472N455-V459 PolarHBondContact O-N 2.82Å; K456-V459 PolarHBondContact O-N 3.35Å; K456-V459 VanDerWaalsContact O-N 3.14Å; V459-Q461 PolarHBondContact O-N 3.27Å; V459-T462 PolarHBondContact O-N 3.49Å; V459-A463 HydrophobicContact CG1-CB 4.4Å; V459-A463 PolarHBondContact O-N 2.86Å; V459-F472 HydrophobicContact CG2-CB 4.36Å
460A49.2Very low57.6Low80 Ų8087.6 Ų87.666%0.66147%0.466SS*.THydrogen-bonded Turntrans-58.8-7.8-174.900000116.3K456 L458K456-A460 PolarHBondContact O-N 2.9Å; L458-A460 VanDerWaalsContact C-N 3.31Å; L458-A460 PolarHBondContact O-N 3.36Å
461Q50.1Low56.4Low95 Ų9586 Ų8644%0.44446%0.463SS..THydrogen-bonded Turntrans-100.5-11-178.5-72.1173.585.400114.9V459 C750V459-Q461 PolarHBondContact O-N 3.27Å; Q461-C750 PolarHBondContact NE2-O 2.98Å
462T44.5Very low55.7Low84 Ų8485.2 Ų85.252%0.51546%0.459SS..THydrogen-bonded Turntrans-135.2-2-175.251.40000114.9V459 Q464 F472V459-T462 PolarHBondContact O-N 3.49Å; T462-Q464 PolarHBondContact O-N 2.93Å; T462-F472 HydrophobicContact CG2-CE2 4.23Å; T462-F472 WeakPolarHBondContact OG1-CE2 3.41Å
463A37.9Very low55.7Low72 Ų7286.1 Ų86.160%0.59547%0.465SS*.  trans-6597.7177.400000111.9V459V459-A463 HydrophobicContact CG1-CB 4.4Å; V459-A463 PolarHBondContact O-N 2.86Å
464Q40Very low56Low150 Ų15084.9 Ų84.970%0.70146%0.461SS*.  trans-63.7137.8150.7-69.4-175-1500107.6T462 D466T462-Q464 PolarHBondContact O-N 2.93Å; Q464-D466 PolarHBondContact O-N 3.27Å
465P43.2Very low56.6Low120 Ų12080.4 Ų80.478%0.77944%0.44SS*.THydrogen-bonded Turntrans-67.6-11.7-163.625.7-35.2000115.3
466D38.5Very low57.4Low152 Ų15279.4 Ų79.481%0.81344%0.435SS*.THydrogen-bonded Turntrans-105.85.2-168.5-55.3-56.9000114.8Q464Q464-D466 PolarHBondContact O-N 3.27Å
467Q41.8Very low58.8Low151 Ų15172.5 Ų72.571%0.70641%0.405SS*.SBendtrans-90.7137.5174.1-73.8-164.2-15.900112.5
468P41.1Very low60.4Low96 Ų9671.1 Ų71.162%0.62340%0.395SS*.  trans-65.6159.617726.8-33.1000112Y470P468-Y470 HydrophobicContact CB-CD2 4.21Å; P468-Y470 HydrophobicContact CB-CE2 4.19Å; P468-Y470 HydrophobicContact CG-CD2 3.98Å; P468-Y470 HydrophobicContact CG-CE2 3.97Å; P468-Y470 PolarHBondContact O-N 3Å
469N45.6Very low61.6Low149 Ų14970.7 Ų70.780%0.79739%0.393SS*.SBendtrans-73.343.3-161.2-16138.3000115.5
470Y50.4Low63.3Low192 Ų19270.9 Ų70.975%0.75339%0.392SS*.PPolyproline II helixtrans-77.3148.1169.8-68.3-87.3000110.3P468P468-Y470 HydrophobicContact CB-CD2 4.21Å; P468-Y470 HydrophobicContact CB-CE2 4.19Å; P468-Y470 HydrophobicContact CG-CD2 3.98Å; P468-Y470 HydrophobicContact CG-CE2 3.97Å; P468-Y470 PolarHBondContact O-N 3Å
471G60.3Low65Low22 Ų2268 Ų6823%0.22737%0.366CS..PPolyproline II helixtrans-70.8173.3-177.700000114.1R453R453-G471 CarbonylContact O-C 3.39Å; R453-G471 WeakPolarHBondContact O-CA 3.49Å
472F72.6Confident66.6Low21 Ų2163.7 Ų63.79%0.09235%0.346CS..PPolyproline II helixtrans-71.5129.5173.3-156.9-80000109.3K376 I378 R453 V459 T462K376-F472 WeakPolarHBondContact O-CE1 3.41Å; K376-F472 WeakPolarHBondContact O-CZ 3.34Å; I378-F472 HydrophobicContact CB-CD1 4.45Å; I378-F472 HydrophobicContact CD1-CB 4.25Å; I378-F472 HydrophobicContact CD1-CD1 3.63Å; I378-F472 HydrophobicContact CD1-CE1 4.27Å; I378-F472 HydrophobicContact CD1-CG 4.11Å; I378-F472 HydrophobicContact CG1-CD1 3.59Å; I378-F472 HydrophobicContact CG1-CE1 3.78Å; R453-F472 PolarHBondContact O-N 3.4Å; V459-F472 HydrophobicContact CG2-CB 4.36Å; T462-F472 HydrophobicContact CG2-CE2 4.23Å; T462-F472 WeakPolarHBondContact OG1-CE2 3.41Å
473P84.1Confident68.3Low25 Ų2563.7 Ų63.716%0.16234%0.343CS..PPolyproline II helixtrans-66.3137.2-173.224.6-34000112.1R377 I378 D414R377-P473 WeakPolarHBondContact CA-O 3.5Å; R377-P473 HydrophobicContact CB-CB 4.49Å; R377-P473 HydrophobicContact CB-CG 4.43Å; R377-P473 WeakPolarHBondContact CB-O 3.46Å; R377-P473 HydrophobicContact CG-CB 3.98Å; R377-P473 HydrophobicContact CG-CG 3.96Å; I378-P473 PolarHBondContact N-O 2.78Å; D414-P473 HydrophobicContact CB-CB 4.11Å; D414-P473 WeakPolarHBondContact OD1-CA 3.39Å
474L89.2Confident70.1Confident0 Ų062.5 Ų62.50%034%0.338CS..EExtended strand (participates in β ladder)trans-124.2125.4-174-177.870.6000111.3I378 F380 D414 L417 I449 L452 L476I378-L474 HydrophobicContact CB-CD1 3.76Å; I378-L474 HydrophobicContact CG2-CD1 3.55Å; F380-L474 HydrophobicContact CB-CD1 4.25Å; D414-L474 VanDerWaalsContact CA-O 3.3Å; D414-L474 WeakPolarHBondContact CA-O 3.29Å; D414-L474 WeakPolarHBondContact CB-O 3.35Å; D414-L474 PolarHBondContact N-O 3.01Å; D414-L474 PolarHBondContact OD1-N 2.87Å; L417-L474 HydrophobicContact CD2-CB 4Å; L417-L474 HydrophobicContact CD2-CD2 4.22Å; L417-L474 HydrophobicContact CD2-CG 4.43Å; I449-L474 HydrophobicContact CB-CD2 4.35Å; I449-L474 HydrophobicContact CG1-CD2 4.24Å; I449-L474 HydrophobicContact CG2-CD2 4.08Å; L452-L474 HydrophobicContact CB-CD1 4.2Å; L452-L474 HydrophobicContact CB-CD2 3.96Å; L452-L474 HydrophobicContact CD1-CD1 4.18Å; L452-L474 HydrophobicContact CD1-CD2 4.29Å; L474-L476 HydrophobicContact CD2-CD2 4.16Å; L474-L476 HydrophobicContact CG-CD2 4.38Å
475D91.2Very high72.1Confident0 Ų055.8 Ų55.80%031%0.306CS..EExtended strand (participates in β ladder)trans-102.9146.6163.7-65.3-11.1000110R377 I378 A379 F380 K411 L412 S413 D414 Y498R377-D475 WeakPolarHBondContact CD-OD1 3.4Å; R377-D475 IonicContact CZ-OD1 2.79Å; R377-D475 IonicContact NE-OD1 3.63Å; R377-D475 IonicContact NH1-OD1 2.8Å; R377-D475 PolarHBondContact NH1-OD1 2.91Å; R377-D475 IonicContact NH1-OD2 2.7Å; I378-D475 PolarHBondContact O-N 2.69Å; A379-D475 CarbonylContact C-O 3.59Å; A379-D475 WeakPolarHBondContact CA-O 3.42Å; F380-D475 PolarHBondContact N-O 3.19Å; K411-D475 WeakPolarHBondContact CE-OD2 3.14Å; K411-D475 IonicContact NZ-OD2 2.73Å; K411-D475 PolarHBondContact NZ-OD2 2.95Å; L412-D475 CarbonylContact O-C 3.52Å; L412-D475 WeakPolarHBondContact O-CA 3.43Å; S413-D475 VanDerWaalsContact CA-OD1 3.28Å; S413-D475 WeakPolarHBondContact CA-OD1 3.27Å; D414-D475 PolarHBondContact N-OD1 3.44Å; D414-D475 VanDerWaalsContact N-OD1 3.14Å; D475-Y498 HydrophobicContact CB-CE1 3.84Å; D475-Y498 VanDerWaalsContact OD2-CE1 3.26Å; D475-Y498 WeakPolarHBondContact OD2-CE1 3.12Å; D475-Y498 PolarHBondContact OD2-OH 3.12Å
476L92.4Very high74Confident0 Ų053.7 Ų53.70%029%0.289CS..EExtended strand (participates in β ladder)trans-96.4130165.5-43.6-177000108.1F380 F382 M406 K411 L412 L417 F420 I449 L474F380-L476 HydrophobicContact CB-CD2 3.86Å; F380-L476 HydrophobicContact CD1-CD2 4.2Å; F380-L476 HydrophobicContact CG-CD2 4.42Å; F382-L476 HydrophobicContact CD1-CB 3.89Å; F382-L476 HydrophobicContact CE1-CB 3.6Å; M406-L476 HydrophobicContact CE-CD1 3.97Å; M406-L476 HydrophobicContact SD-CD1 4.29Å; K411-L476 CarbonylContact C-O 3.6Å; K411-L476 WeakPolarHBondContact CA-O 3.37Å; L412-L476 HydrophobicContact CB-CB 4.22Å; L412-L476 HydrophobicContact CB-CD1 4.47Å; L412-L476 HydrophobicContact CB-CG 4.42Å; L412-L476 HydrophobicContact CD2-CD1 3.9Å; L412-L476 HydrophobicContact CD2-CG 4.5Å; L412-L476 PolarHBondContact N-O 3.42Å; L412-L476 PolarHBondContact O-N 2.92Å; L417-L476 HydrophobicContact CD1-CD1 4.21Å; L417-L476 HydrophobicContact CD1-CD2 4.39Å; L417-L476 HydrophobicContact CD1-CG 4.15Å; F420-L476 HydrophobicContact CD1-CD1 4.42Å; F420-L476 HydrophobicContact CE1-CD1 3.93Å; I449-L476 HydrophobicContact CD1-CD1 4.17Å; I449-L476 HydrophobicContact CD1-CD2 4.38Å; I449-L476 HydrophobicContact CG1-CD2 4.19Å; L474-L476 HydrophobicContact CD2-CD2 4.16Å; L474-L476 HydrophobicContact CG-CD2 4.38Å
477L92Very high76Confident3 Ų351.5 Ų51.52%0.01628%0.283CS..EExtended strand (participates in β ladder)trans-123.5132.3178.8-59.6-179.3000112.1A379 F380 L381 F382 G410 K411 L482 L494 Y498A379-L477 HydrophobicContact CB-CD1 3.66Å; A379-L477 HydrophobicContact CB-CG 4.09Å; F380-L477 PolarHBondContact O-N 2.98Å; L381-L477 WeakPolarHBondContact CA-O 3.42Å; L381-L477 HydrophobicContact CD2-CB 3.97Å; L381-L477 HydrophobicContact CD2-CD1 4.2Å; F382-L477 VanDerWaalsContact CD1-C 3.48Å; F382-L477 WeakPolarHBondContact CD1-O 3.39Å; F382-L477 PolarHBondContact N-O 2.9Å; G410-L477 WeakPolarHBondContact O-CA 3.4Å; K411-L477 HydrophobicContact CB-CD2 3.82Å; K411-L477 HydrophobicContact CD-CD2 3.99Å; K411-L477 HydrophobicContact CG-CD2 3.76Å; L477-L482 HydrophobicContact CB-CD1 4.36Å; L477-L482 HydrophobicContact CD1-CD1 4.35Å; L477-L494 HydrophobicContact CD1-CD2 3.79Å; L477-Y498 HydrophobicContact CD1-CD2 4.32Å; L477-Y498 HydrophobicContact CD1-CE2 3.72Å
478R91Very high77.9Confident29 Ų2947 Ų4711%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-80.5126.2173.6-174.4174.4171.9-155.9-3.2110.5F382 F407 G410 E480 S481 L482F382-R478 HydrophobicContact CD2-CB 4.34Å; F382-R478 HydrophobicContact CD2-CG 4.49Å; F382-R478 HydrophobicContact CE1-CB 4.42Å; F382-R478 HydrophobicContact CE2-CB 3.59Å; F382-R478 HydrophobicContact CE2-CG 3.92Å; F382-R478 HydrophobicContact CZ-CB 3.64Å; F382-R478 HydrophobicContact CZ-CG 4.46Å; F407-R478 VanDerWaalsContact CD2-NH1 3.26Å; F407-R478 VanDerWaalsContact CE2-NH1 3.29Å; F407-R478 PolarHBondContact O-NH1 2.98Å; G410-R478 PolarHBondContact O-N 3.36Å; R478-E480 WeakPolarHBondContact CG-OE2 3.33Å; R478-E480 IonicContact CZ-OE1 3.85Å; R478-E480 VanDerWaalsContact CZ-OE1 3.32Å; R478-E480 VanDerWaalsContact NE-CD 3.3Å; R478-E480 IonicContact NE-OE1 3.36Å; R478-E480 PolarHBondContact NE-OE1 3.22Å; R478-E480 IonicContact NE-OE2 3.67Å; R478-E480 PolarHBondContact NE-OE2 3.43Å; R478-E480 IonicContact NH2-OE1 3.33Å; R478-E480 PolarHBondContact NH2-OE1 3.12Å; R478-E480 PolarHBondContact O-N 3.09Å; R478-S481 PolarHBondContact O-N 2.86Å; R478-L482 PolarHBondContact O-N 3.11Å
479C87.7Confident80Confident4 Ų442.7 Ų42.73%0.02724%0.243CC..Hα-helixtrans-63.4-42.7-176.1-63.30000112.6F382 S481 L482 L483 I511F382-C479 PolarHBondContact O-N 3.37Å; F382-C479 PolarHBondContact O-SG 3.26Å; C479-S481 VanDerWaalsContact C-N 3.29Å; C479-S481 PolarHBondContact O-N 3.21Å; C479-L482 WeakPolarHBondContact O-CB 3.5Å; C479-L482 PolarHBondContact O-N 3.03Å; C479-L482 VanDerWaalsContact O-N 3.09Å; C479-L483 PolarHBondContact O-N 2.99Å; C479-I511 HydrophobicContact CB-CD1 4.36Å; C479-I511 HydrophobicContact CB-CG2 3.38Å
480E86.3Confident81.9Confident43 Ų4336.1 Ų36.120%0.20121%0.209CC..Hα-helixtrans-66.1-32.9-177.8-49.297.7100.500112.3S384 R478 L482 L483 G484 I511S384-E480 WeakPolarHBondContact CB-OE1 3.42Å; S384-E480 PolarHBondContact N-OE1 3.45Å; S384-E480 VanDerWaalsContact N-OE1 3.09Å; S384-E480 PolarHBondContact OG-OE1 2.96Å; R478-E480 WeakPolarHBondContact CG-OE2 3.33Å; R478-E480 IonicContact CZ-OE1 3.85Å; R478-E480 VanDerWaalsContact CZ-OE1 3.32Å; R478-E480 VanDerWaalsContact NE-CD 3.3Å; R478-E480 IonicContact NE-OE1 3.36Å; R478-E480 PolarHBondContact NE-OE1 3.22Å; R478-E480 IonicContact NE-OE2 3.67Å; R478-E480 PolarHBondContact NE-OE2 3.43Å; R478-E480 IonicContact NH2-OE1 3.33Å; R478-E480 PolarHBondContact NH2-OE1 3.12Å; R478-E480 PolarHBondContact O-N 3.09Å; E480-L482 VanDerWaalsContact C-N 3.28Å; E480-L482 PolarHBondContact O-N 3.15Å; E480-L483 WeakPolarHBondContact O-CB 3.43Å; E480-L483 PolarHBondContact O-N 3.4Å; E480-L483 VanDerWaalsContact O-N 3.08Å; E480-G484 PolarHBondContact O-N 3.44Å; E480-I511 HydrophobicContact CG-CD1 4.06Å; E480-I511 HydrophobicContact CG-CG1 4.03Å
481S85.6Confident83.5Confident19 Ų1928.9 Ų28.913%0.13319%0.186CC..Hα-helixtrans-67.8-30.1175-53.90000111.9G410 R478 C479 L483 G484G410-S481 WeakPolarHBondContact CA-OG 3.46Å; R478-S481 PolarHBondContact O-N 2.86Å; C479-S481 VanDerWaalsContact C-N 3.29Å; C479-S481 PolarHBondContact O-N 3.21Å; S481-L483 VanDerWaalsContact C-N 3.35Å; S481-G484 PolarHBondContact O-N 3.37Å
482L83.8Confident84.7Confident5 Ų531.1 Ų31.13%0.02619%0.188CC..Hα-helixtrans-72-25.8170.2-64.2171.5000112.7V260 L381 L477 R478 C479 E480 G484 L485 L494 V514V260-L482 HydrophobicContact CG1-CD2 3.84Å; L381-L482 HydrophobicContact CD2-CD1 4.2Å; L477-L482 HydrophobicContact CB-CD1 4.36Å; L477-L482 HydrophobicContact CD1-CD1 4.35Å; R478-L482 PolarHBondContact O-N 3.11Å; C479-L482 WeakPolarHBondContact O-CB 3.5Å; C479-L482 PolarHBondContact O-N 3.03Å; C479-L482 VanDerWaalsContact O-N 3.09Å; E480-L482 VanDerWaalsContact C-N 3.28Å; E480-L482 PolarHBondContact O-N 3.15Å; L482-G484 VanDerWaalsContact C-N 3.26Å; L482-L485 HydrophobicContact CD2-CD1 4.33Å; L482-L485 PolarHBondContact O-N 3.27Å; L482-L494 HydrophobicContact CD2-CD2 4.38Å; L482-V514 HydrophobicContact CD1-CG2 4.05Å
483L79.4Confident85.4Confident85 Ų8530.3 Ų30.345%0.44519%0.185SC..Hα-helixtrans-72.9-19.6171.8-55.6-179.9000112.7C479 E480 S481 L485 R512C479-L483 PolarHBondContact O-N 2.99Å; E480-L483 WeakPolarHBondContact O-CB 3.43Å; E480-L483 PolarHBondContact O-N 3.4Å; E480-L483 VanDerWaalsContact O-N 3.08Å; S481-L483 VanDerWaalsContact C-N 3.35Å; L483-L485 PolarHBondContact O-N 3.29Å; L483-R512 HydrophobicContact CD2-CB 3.96Å
484G76.4Confident85.5Confident47 Ų4729.2 Ų29.249%0.48518%0.178SC..THydrogen-bonded Turntrans-70.3-12.5169.200000114K257 E480 S481 L482K257-G484 WeakPolarHBondContact CE-O 3.26Å; E480-G484 PolarHBondContact O-N 3.44Å; S481-G484 PolarHBondContact O-N 3.37Å; L482-G484 VanDerWaalsContact C-N 3.26Å
485L82.3Confident85.3Confident8 Ų831.8 Ų31.84%0.04219%0.192CC..SBendtrans-95.7144174.4-63176000111K257 V260 L275 L482 L483 T489 C490 V493K257-L485 HydrophobicContact CB-CD2 3.88Å; K257-L485 HydrophobicContact CD-CD2 4.49Å; K257-L485 HydrophobicContact CG-CD2 3.97Å; V260-L485 HydrophobicContact CG1-CD1 3.93Å; L275-L485 HydrophobicContact CD2-CD2 4.44Å; L482-L485 HydrophobicContact CD2-CD1 4.33Å; L482-L485 PolarHBondContact O-N 3.27Å; L483-L485 PolarHBondContact O-N 3.29Å; L485-T489 HydrophobicContact CD2-CG2 4.33Å; L485-C490 HydrophobicContact CB-CB 3.95Å; L485-C490 HydrophobicContact CD1-CB 4.46Å; L485-V493 HydrophobicContact CD1-CG2 4.42Å
486D82.1Confident85.1Confident77 Ų7734.6 Ų34.641%0.41220%0.204SC..  trans-63.7140174.7-35.2-84.6000109K257 A488 T489 C490K257-D486 IonicContact NZ-OD1 2.78Å; K257-D486 PolarHBondContact NZ-OD1 3.06Å; K257-D486 IonicContact NZ-OD2 2.74Å; K257-D486 PolarHBondContact NZ-OD2 3.13Å; D486-A488 VanDerWaalsContact C-N 3.26Å; D486-A488 PolarHBondContact O-N 2.85Å; D486-T489 CarbonylContact O-C 3.57Å; D486-T489 WeakPolarHBondContact O-CA 3.35Å; D486-T489 VanDerWaalsContact O-CB 3.28Å; D486-T489 WeakPolarHBondContact O-CB 3.15Å; D486-T489 PolarHBondContact O-N 2.89Å; D486-C490 PolarHBondContact O-N 2.93Å
487P80.2Confident84.7Confident105 Ų10535.5 Ų35.568%0.68221%0.208SC*.Hα-helixtrans-56.8-33.5-167.3-30.736.4000115.5S491P487-S491 WeakPolarHBondContact O-CB 3.29Å; P487-S491 PolarHBondContact O-N 3.35Å; P487-S491 PolarHBondContact O-OG 3.46Å
488A83Confident84.5Confident57 Ų5735.5 Ų35.547%0.47121%0.208SC..Hα-helixtrans-67-4517300000112D486 S491 R492D486-A488 VanDerWaalsContact C-N 3.26Å; D486-A488 PolarHBondContact O-N 2.85Å; A488-S491 WeakPolarHBondContact O-CB 3.25Å; A488-S491 PolarHBondContact O-N 3.32Å; A488-R492 WeakPolarHBondContact O-CG 3.34Å; A488-R492 PolarHBondContact O-N 3.5Å
489T83.9Confident84.2Confident5 Ų537 Ų373%0.03122%0.221CC..Hα-helixtrans-60.3-49.6174.9-53.80000111.5L275 L485 D486 S491 R492 V493L275-T489 HydrophobicContact CD2-CG2 3.65Å; L485-T489 HydrophobicContact CD2-CG2 4.33Å; D486-T489 CarbonylContact O-C 3.57Å; D486-T489 WeakPolarHBondContact O-CA 3.35Å; D486-T489 VanDerWaalsContact O-CB 3.28Å; D486-T489 WeakPolarHBondContact O-CB 3.15Å; D486-T489 PolarHBondContact O-N 2.89Å; T489-S491 VanDerWaalsContact C-N 3.32Å; T489-S491 PolarHBondContact O-N 2.91Å; T489-R492 PolarHBondContact O-N 3.37Å; T489-R492 VanDerWaalsContact O-N 3.1Å; T489-R492 PolarHBondContact OG1-NH2 3.03Å; T489-R492 VanDerWaalsContact OG1-NH2 3.13Å; T489-V493 WeakPolarHBondContact O-CG2 3.33Å; T489-V493 PolarHBondContact O-N 2.95Å
490C85.8Confident84.1Confident11 Ų1137.4 Ų37.47%0.07422%0.223CC..Hα-helixtrans-55.2-47.9175.2-174.30000111.1L485 D486 R492 V493 L494L485-C490 HydrophobicContact CB-CB 3.95Å; L485-C490 HydrophobicContact CD1-CB 4.46Å; D486-C490 PolarHBondContact O-N 2.93Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 2.89Å; C490-V493 PolarHBondContact O-N 2.89Å; C490-L494 WeakPolarHBondContact O-CB 3.31Å; C490-L494 WeakPolarHBondContact O-CG 3.39Å; C490-L494 PolarHBondContact O-N 2.87Å
491S84.5Confident84.2Confident40 Ų4035.4 Ų35.428%0.2821%0.213SC..Hα-helixtrans-59.5-40.5175.9-590000112.6P487 A488 T489 N495P487-S491 WeakPolarHBondContact O-CB 3.29Å; P487-S491 PolarHBondContact O-N 3.35Å; P487-S491 PolarHBondContact O-OG 3.46Å; A488-S491 WeakPolarHBondContact O-CB 3.25Å; A488-S491 PolarHBondContact O-N 3.32Å; T489-S491 VanDerWaalsContact C-N 3.32Å; T489-S491 PolarHBondContact O-N 2.91Å; S491-N495 VanDerWaalsContact O-CB 3.28Å; S491-N495 WeakPolarHBondContact O-CB 3.27Å; S491-N495 PolarHBondContact O-N 3.48Å; S491-N495 PolarHBondContact O-ND2 2.83Å
492R86.1Confident84.4Confident69 Ų6934.6 Ų34.626%0.2621%0.208SC..Hα-helixtrans-68.1-45.6177.3-72.1-174.1-56.7-108.22.7112.7V274 E276 A488 T489 C490 L494 N495 K496V274-R492 HydrophobicContact CG1-CB 4.16Å; V274-R492 PolarHBondContact O-NE 3.4Å; V274-R492 PolarHBondContact O-NH2 2.79Å; E276-R492 IonicContact OE1-CZ 3.36Å; E276-R492 IonicContact OE1-NH1 3.72Å; E276-R492 PolarHBondContact OE1-NH1 3.14Å; E276-R492 IonicContact OE1-NH2 2.79Å; E276-R492 IonicContact OE2-CZ 3.5Å; E276-R492 IonicContact OE2-NH1 2.77Å; E276-R492 PolarHBondContact OE2-NH1 2.96Å; E276-R492 IonicContact OE2-NH2 3.7Å; E276-R492 PolarHBondContact OE2-NH2 3.41Å; A488-R492 WeakPolarHBondContact O-CG 3.34Å; A488-R492 PolarHBondContact O-N 3.5Å; T489-R492 PolarHBondContact O-N 3.37Å; T489-R492 VanDerWaalsContact O-N 3.1Å; T489-R492 PolarHBondContact OG1-NH2 3.03Å; T489-R492 VanDerWaalsContact OG1-NH2 3.13Å; C490-R492 VanDerWaalsContact C-N 3.34Å; C490-R492 PolarHBondContact O-N 2.89Å; R492-L494 VanDerWaalsContact C-N 3.33Å; R492-L494 PolarHBondContact O-N 3.3Å; R492-N495 PolarHBondContact O-N 2.86Å; R492-K496 WeakPolarHBondContact O-CB 3.29Å; R492-K496 PolarHBondContact O-N 3.42Å
493V85.8Confident84.8Confident5 Ų534.4 Ų34.43%0.0321%0.207CC..Hα-helixtrans-56.2-50.7176.1172.60000109.8V274 L485 T489 C490 K496 N497V274-V493 HydrophobicContact CG1-CB 4.34Å; V274-V493 HydrophobicContact CG1-CG2 3.49Å; V274-V493 VanDerWaalsContact CG1-CG2 3.49Å; L485-V493 HydrophobicContact CD1-CG2 4.42Å; T489-V493 WeakPolarHBondContact O-CG2 3.33Å; T489-V493 PolarHBondContact O-N 2.95Å; C490-V493 PolarHBondContact O-N 2.89Å; V493-K496 PolarHBondContact O-N 2.8Å; V493-N497 PolarHBondContact O-N 3.42Å
494L86.9Confident85.3Confident2 Ų230.9 Ų30.91%0.0119%0.188CC..Hα-helixtrans-68.1-41.5-176.6-64.4173.8000112.6L477 L482 C490 R492 K496 Y498 L501 V514 P519L477-L494 HydrophobicContact CD1-CD2 3.79Å; L482-L494 HydrophobicContact CD2-CD2 4.38Å; C490-L494 WeakPolarHBondContact O-CB 3.31Å; C490-L494 WeakPolarHBondContact O-CG 3.39Å; C490-L494 PolarHBondContact O-N 2.87Å; R492-L494 VanDerWaalsContact C-N 3.33Å; R492-L494 PolarHBondContact O-N 3.3Å; L494-K496 VanDerWaalsContact C-N 3.31Å; L494-K496 PolarHBondContact O-N 3.18Å; L494-Y498 HydrophobicContact CD2-CD2 3.65Å; L494-Y498 HydrophobicContact CD2-CE2 3.9Å; L494-Y498 PolarHBondContact O-N 2.7Å; L494-L501 HydrophobicContact CD1-CD1 4.41Å; L494-L501 HydrophobicContact CD2-CD2 4.34Å; L494-V514 HydrophobicContact CD1-CB 4.35Å; L494-V514 HydrophobicContact CD1-CG1 3.59Å; L494-V514 HydrophobicContact CD1-CG2 4Å; L494-P519 HydrophobicContact CB-CG 4.22Å
495N85.6Confident85.8Confident54 Ų5428.7 Ų28.729%0.28917%0.166SC..Hα-helixtrans-68-27.1175.7-82.3-79.9000113.6K376 S491 R492 T518K376-N495 PolarHBondContact NZ-O 3.39Å; S491-N495 VanDerWaalsContact O-CB 3.28Å; S491-N495 WeakPolarHBondContact O-CB 3.27Å; S491-N495 PolarHBondContact O-N 3.48Å; S491-N495 PolarHBondContact O-ND2 2.83Å; R492-N495 PolarHBondContact O-N 2.86Å; N495-T518 PolarHBondContact ND2-O 2.98Å; N495-T518 VanDerWaalsContact OD1-C 3.23Å; N495-T518 WeakPolarHBondContact OD1-CB 3.48Å; N495-T518 PolarHBondContact OD1-O 2.85Å; N495-T518 PolarHBondContact OD1-OG1 2.88Å
496K85.2Confident85.9Confident58 Ų5831 Ų3125%0.25218%0.181SC..Hα-helixtrans-71.8-56.7173.3-172.5-171.7178.9-168.30110.5T266 E270 V274 K376 R492 V493 L494T266-K496 PolarHBondContact OG1-NZ 3.05Å; E270-K496 WeakPolarHBondContact OE2-CE 3.33Å; E270-K496 IonicContact OE2-NZ 3.49Å; E270-K496 PolarHBondContact OE2-NZ 2.94Å; V274-K496 HydrophobicContact CG2-CD 3.97Å; K376-K496 VanDerWaalsContact CE-O 3.28Å; K376-K496 WeakPolarHBondContact CE-O 3.18Å; R492-K496 WeakPolarHBondContact O-CB 3.29Å; R492-K496 PolarHBondContact O-N 3.42Å; V493-K496 PolarHBondContact O-N 2.8Å; L494-K496 VanDerWaalsContact C-N 3.31Å; L494-K496 PolarHBondContact O-N 3.18Å
497N85Confident85.9Confident19 Ų1928 Ų2810%0.10217%0.165CC..Hα-helixtrans-87.3-28.1-161.7-64.1-3.5000113.9K376 R377 V493K376-N497 CarbonylContact C-O 3.58Å; K376-N497 VanDerWaalsContact CA-O 3.29Å; K376-N497 WeakPolarHBondContact CA-O 3.36Å; R377-N497 PolarHBondContact N-O 3.31Å; V493-N497 PolarHBondContact O-N 3.42Å
498Y87.7Confident85.8Confident3 Ų324.2 Ų24.21%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-120148.5-169-53.1-69.3000114R377 A379 K411 D475 L477 L494 L501R377-Y498 HydrophobicContact CB-CD1 3.73Å; R377-Y498 HydrophobicContact CB-CE1 3.81Å; R377-Y498 CarbonylContact O-C 3.6Å; R377-Y498 VanDerWaalsContact O-CA 3.27Å; R377-Y498 WeakPolarHBondContact O-CA 3.41Å; A379-Y498 HydrophobicContact CB-CD1 3.66Å; A379-Y498 HydrophobicContact CB-CD2 4.17Å; A379-Y498 HydrophobicContact CB-CE1 3.96Å; A379-Y498 HydrophobicContact CB-CE2 4.45Å; A379-Y498 HydrophobicContact CB-CG 3.81Å; K411-Y498 PolarHBondContact NZ-OH 3.23Å; D475-Y498 HydrophobicContact CB-CE1 3.84Å; D475-Y498 VanDerWaalsContact OD2-CE1 3.26Å; D475-Y498 WeakPolarHBondContact OD2-CE1 3.12Å; D475-Y498 PolarHBondContact OD2-OH 3.12Å; L477-Y498 HydrophobicContact CD1-CD2 4.32Å; L477-Y498 HydrophobicContact CD1-CE2 3.72Å; L494-Y498 HydrophobicContact CD2-CD2 3.65Å; L494-Y498 HydrophobicContact CD2-CE2 3.9Å; L494-Y498 PolarHBondContact O-N 2.7Å; Y498-L501 HydrophobicContact CG-CD2 4.46Å
499T84.8Confident85.1Confident62 Ų6223.4 Ų23.438%0.3813%0.127SC..EExtended strand (participates in β ladder)trans-94.4-41.7172.9-58.60000111.2K376 R377 P519K376-T499 WeakPolarHBondContact CB-OG1 3.28Å; R377-T499 PolarHBondContact O-N 3.5Å; T499-P519 VanDerWaalsContact O-CB 3.31Å; T499-P519 WeakPolarHBondContact O-CB 3.44Å
500L86.1Confident84.1Confident11 Ų1129.8 Ų29.86%0.05816%0.157CC..EExtended strand (participates in β ladder)trans-140.5135.5-170.9-177.770.2000109.2I378 A379 V502 Q520 I522 C750 L755I378-L500 WeakPolarHBondContact CA-O 3.39Å; I378-L500 HydrophobicContact CG1-CB 4.4Å; A379-L500 PolarHBondContact N-O 3.2Å; L500-V502 HydrophobicContact CD2-CG2 4.1Å; L500-V502 HydrophobicContact CG-CG2 4.15Å; L500-Q520 CarbonylContact C-O 3.58Å; L500-Q520 WeakPolarHBondContact CA-O 3.46Å; L500-Q520 HydrophobicContact CD1-CB 4.32Å; L500-I522 HydrophobicContact CD1-CD1 4.03Å; L500-I522 HydrophobicContact CD1-CG1 4.16Å; L500-I522 HydrophobicContact CD2-CD1 4.28Å; L500-C750 HydrophobicContact CD2-CB 4.37Å; L500-L755 HydrophobicContact CD1-CD1 4.07Å; L500-L755 HydrophobicContact CD1-CD2 3.73Å
501L88.8Confident83.3Confident1 Ų129.8 Ų29.81%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-105.7137.5170.1-47.1-179.5000108.7A379 L381 L494 Y498 P519 Q520 H521 I522A379-L501 HydrophobicContact CB-CD2 3.79Å; A379-L501 CarbonylContact O-C 3.56Å; A379-L501 WeakPolarHBondContact O-CA 3.26Å; L381-L501 HydrophobicContact CD1-CB 4.13Å; L381-L501 HydrophobicContact CD1-CD1 4.32Å; L381-L501 HydrophobicContact CG-CB 4.38Å; L494-L501 HydrophobicContact CD1-CD1 4.41Å; L494-L501 HydrophobicContact CD2-CD2 4.34Å; Y498-L501 HydrophobicContact CG-CD2 4.46Å; L501-P519 HydrophobicContact CD1-CG 4.07Å; L501-P519 HydrophobicContact CD2-CG 3.78Å; L501-P519 HydrophobicContact CG-CB 4.48Å; L501-P519 HydrophobicContact CG-CG 3.8Å; L501-Q520 PolarHBondContact N-O 3.36Å; L501-H521 HydrophobicContact CB-CB 4.18Å; L501-H521 HydrophobicContact CD1-CB 4.45Å; L501-H521 WeakPolarHBondContact O-CA 3.44Å; L501-I522 PolarHBondContact O-N 3.49Å
502V89.6Confident82.4Confident3 Ų332.4 Ų32.42%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-131.3124.3175.3-176.10000108.5I378 A379 F380 L381 L452 L500 I522 I729I378-V502 HydrophobicContact CG2-CG2 4.33Å; A379-V502 PolarHBondContact O-N 2.86Å; F380-V502 CarbonylContact C-O 3.34Å; F380-V502 VanDerWaalsContact CA-O 3.31Å; F380-V502 WeakPolarHBondContact CA-O 3.47Å; F380-V502 HydrophobicContact CD2-CB 4.33Å; F380-V502 HydrophobicContact CD2-CG1 4.31Å; F380-V502 WeakPolarHBondContact CD2-O 3.37Å; F380-V502 HydrophobicContact CE2-CG1 4.48Å; L381-V502 PolarHBondContact N-O 3.29Å; L452-V502 HydrophobicContact CD2-CG2 4.37Å; L500-V502 HydrophobicContact CD2-CG2 4.1Å; L500-V502 HydrophobicContact CG-CG2 4.15Å; V502-I522 WeakPolarHBondContact CA-O 3.48Å; V502-I522 HydrophobicContact CG2-CB 4.44Å; V502-I729 HydrophobicContact CG1-CD1 3.66Å; V502-I729 HydrophobicContact CG1-CG1 3.95Å
503S90.9Very high81.2Confident0 Ų029.3 Ų29.30%015%0.149CC..EExtended strand (participates in β ladder)trans-89.4149.5178.1-71.10000112.8H521 I522 G728 I729S503-H521 PolarHBondContact OG-NE2 3.04Å; S503-I522 PolarHBondContact N-O 3.14Å; S503-G728 CarbonylContact O-C 3.5Å; S503-G728 VanDerWaalsContact O-CA 3.24Å; S503-G728 WeakPolarHBondContact O-CA 3.48Å; S503-I729 PolarHBondContact O-N 3.33Å
504M90.7Very high80.1Confident11 Ų1130 Ų305%0.05415%0.153CC..EExtended strand (participates in β ladder)trans-64.5164.2155.867.8-178.2-94.200111.4F380 L381 F382 D383 L386 P506 L507 I729 L731F380-M504 HydrophobicContact CE1-CB 4.14Å; F380-M504 HydrophobicContact CZ-CB 3.7Å; L381-M504 PolarHBondContact O-N 3.41Å; F382-M504 VanDerWaalsContact CA-SD 3.56Å; F382-M504 HydrophobicContact CB-CG 4.49Å; F382-M504 HydrophobicContact CB-SD 3.7Å; D383-M504 PolarHBondContact N-SD 2.95Å; D383-M504 WeakPolarHBondContact OD1-CE 3.5Å; D383-M504 WeakPolarHBondContact OD2-CE 3.42Å; L386-M504 HydrophobicContact CB-SD 4.38Å; M504-P506 WeakPolarHBondContact CE-O 3.36Å; M504-L507 HydrophobicContact CG-CD2 3.56Å; M504-L507 HydrophobicContact CG-CG 4.2Å; M504-L507 HydrophobicContact SD-CD2 4.3Å; M504-I729 CarbonylContact C-O 3.59Å; M504-I729 WeakPolarHBondContact CA-O 3.41Å; M504-L731 HydrophobicContact CB-CD1 3.79Å; M504-L731 HydrophobicContact CB-CG 4.14Å; M504-L731 HydrophobicContact SD-CD1 4.21Å
505A87.2Confident78.8Confident2 Ų233.5 Ų33.52%0.01718%0.177CC..EExtended strand (participates in β ladder)trans-137.9138.3174.100000111.2Y655 C726 I729 P730A505-Y655 HydrophobicContact CB-CE1 3.87Å; A505-C726 HydrophobicContact CB-CB 4.31Å; A505-I729 PolarHBondContact N-O 3.04Å; A505-P730 WeakPolarHBondContact O-CA 3.23Å
506P84.5Confident77.3Confident56 Ų5632.3 Ų32.336%0.36417%0.174SC..SBendcis-63.5176.4-14.432.3-35.7000111.6M504M504-P506 WeakPolarHBondContact CE-O 3.36Å
507L82.4Confident76Confident15 Ų1532.2 Ų32.28%0.07918%0.18CC..  trans-119.3142.4164.3-81.4170.5000107.8D383 M504 P524D383-L507 HydrophobicContact CB-CD2 4.03Å; M504-L507 HydrophobicContact CG-CD2 3.56Å; M504-L507 HydrophobicContact CG-CG 4.2Å; M504-L507 HydrophobicContact SD-CD2 4.3Å; L507-P524 HydrophobicContact CD1-CG 4.07Å
508T77.5Confident75Confident25 Ų2534.7 Ų34.715%0.15320%0.195CC..  trans-55138.2179-35.50000112.6D383 E510 I511D383-T508 PolarHBondContact OD2-N 3.47Å; D383-T508 PolarHBondContact OD2-OG1 2.68Å; T508-E510 PolarHBondContact O-N 3.5Å; T508-E510 VanDerWaalsContact O-N 3.1Å; T508-I511 WeakPolarHBondContact O-CB 3.33Å; T508-I511 PolarHBondContact O-N 2.86Å
509N68Low74.4Confident39 Ų3935 Ų3521%0.20920%0.198CC..THydrogen-bonded Turntrans-61.7-19.1-176.5-80.2-55.3000115.6I511 S530 G576 H577N509-I511 VanDerWaalsContact C-N 3.26Å; N509-S530 PolarHBondContact OD1-O 2.79Å; N509-S530 VanDerWaalsContact OD1-O 3.11Å; N509-G576 WeakPolarHBondContact CB-O 3.48Å; N509-H577 PolarHBondContact ND2-O 3.2Å
510E63.3Low74.2Confident140 Ų14034.2 Ų34.265%0.65419%0.19SC*.THydrogen-bonded Turntrans-74.5-17.5174.8-57.3-166.3155.300112.9T508T508-E510 PolarHBondContact O-N 3.5Å; T508-E510 VanDerWaalsContact O-N 3.1Å
511I68.3Low74.2Confident10 Ų1034.6 Ų34.65%0.05119%0.191CC..  trans-87.5124.9-172.6-65175.9000110.3D383 C479 E480 T508 N509 P513D383-I511 HydrophobicContact CB-CD1 3.19Å; C479-I511 HydrophobicContact CB-CD1 4.36Å; C479-I511 HydrophobicContact CB-CG2 3.38Å; E480-I511 HydrophobicContact CG-CD1 4.06Å; E480-I511 HydrophobicContact CG-CG1 4.03Å; T508-I511 WeakPolarHBondContact O-CB 3.33Å; T508-I511 PolarHBondContact O-N 2.86Å; N509-I511 VanDerWaalsContact C-N 3.26Å; I511-P513 WeakPolarHBondContact O-CD 3.38Å
512R66.8Low74.1Confident96 Ų9634.7 Ų34.736%0.36219%0.192SC..  trans-82.8107168-54.2-179.1-173.2-165.50.7108.2L483 P527 A801 D802L483-R512 HydrophobicContact CD2-CB 3.96Å; R512-P527 HydrophobicContact CB-CG 3.93Å; R512-P527 HydrophobicContact CG-CG 4.16Å; R512-A801 PolarHBondContact NH1-O 3.48Å; R512-D802 PolarHBondContact NH2-O 3.12Å
513P60.7Low73.9Confident3 Ų334.7 Ų34.72%0.01919%0.192CC..  trans-59.6148.7171.526.7-36.1000110.2I511 S515 P524I511-P513 WeakPolarHBondContact O-CD 3.38Å; P513-S515 PolarHBondContact O-N 2.81Å; P513-S515 PolarHBondContact O-OG 3.04Å; P513-S515 VanDerWaalsContact O-OG 3.07Å; P513-P524 HydrophobicContact CB-CG 4.08Å; P513-P524 VanDerWaalsContact CB-O 3.26Å; P513-P524 WeakPolarHBondContact CB-O 3.39Å; P513-P524 HydrophobicContact CG-CB 4.34Å; P513-P524 HydrophobicContact CG-CG 4.12Å; P513-P524 VanDerWaalsContact CG-O 3.29Å; P513-P524 WeakPolarHBondContact CG-O 3.34Å
514V62.9Low73.5Confident21 Ų2135 Ų3513%0.12719%0.194CC..  trans-62.897.8-176-177.60000109.9L381 L482 L494 S516L381-V514 HydrophobicContact CD1-CG2 4.42Å; L482-V514 HydrophobicContact CD1-CG2 4.05Å; L494-V514 HydrophobicContact CD1-CB 4.35Å; L494-V514 HydrophobicContact CD1-CG1 3.59Å; L494-V514 HydrophobicContact CD1-CG2 4Å; V514-S516 PolarHBondContact O-N 2.98Å
515S58.3Low72.9Confident74 Ų7435.5 Ų35.552%0.51720%0.2SC..  trans-77.750.1-177-52.50000111.8P513P513-S515 PolarHBondContact O-N 2.81Å; P513-S515 PolarHBondContact O-OG 3.04Å; P513-S515 VanDerWaalsContact O-OG 3.07Å
516S55.9Low72.6Confident30 Ų3036.3 Ų36.321%0.2120%0.204CC..  trans-102.1143.7178.2-169.50000111.3V514 T518V514-S516 PolarHBondContact O-N 2.98Å; S516-T518 VanDerWaalsContact C-N 3.33Å; S516-T518 WeakPolarHBondContact CB-O 3.3Å; S516-T518 PolarHBondContact OG-N 3.1Å; S516-T518 PolarHBondContact OG-O 2.88Å
517C57Low72.3Confident56 Ų5634.6 Ų34.638%0.37819%0.193SC..SBendtrans-80.5-15.6172.8-65.20000113.2L759 R763C517-L759 VanDerWaalsContact O-CD1 3.24Å; C517-L759 WeakPolarHBondContact O-CD1 3.31Å; C517-R763 VanDerWaalsContact CB-NH2 3.34Å; C517-R763 PolarHBondContact SG-NE 3.2Å; C517-R763 PolarHBondContact SG-NH2 3.07Å
518T62.8Low72.4Confident71 Ų7135.1 Ų35.144%0.43620%0.195SC..SBendtrans-146.9141.4175.858.80000110N495 S516N495-T518 PolarHBondContact ND2-O 2.98Å; N495-T518 VanDerWaalsContact OD1-C 3.23Å; N495-T518 WeakPolarHBondContact OD1-CB 3.48Å; N495-T518 PolarHBondContact OD1-O 2.85Å; N495-T518 PolarHBondContact OD1-OG1 2.88Å; S516-T518 VanDerWaalsContact C-N 3.33Å; S516-T518 WeakPolarHBondContact CB-O 3.3Å; S516-T518 PolarHBondContact OG-N 3.1Å; S516-T518 PolarHBondContact OG-O 2.88Å
519P76.1Confident72.8Confident10 Ų1034.1 Ų34.17%0.06519%0.189CC..SBendcis-56.6166.5-12.424.4-33.2000112.9L494 T499 L501L494-P519 HydrophobicContact CB-CG 4.22Å; T499-P519 VanDerWaalsContact O-CB 3.31Å; T499-P519 WeakPolarHBondContact O-CB 3.44Å; L501-P519 HydrophobicContact CD1-CG 4.07Å; L501-P519 HydrophobicContact CD2-CG 3.78Å; L501-P519 HydrophobicContact CG-CB 4.48Å; L501-P519 HydrophobicContact CG-CG 3.8Å
520Q80.9Confident73.4Confident44 Ų4433.7 Ų33.721%0.20619%0.189CC..EExtended strand (participates in β ladder)trans-70.1143.5-177.3-72.9161.9-56.300110L500 L501 L755 L759L500-Q520 CarbonylContact C-O 3.58Å; L500-Q520 WeakPolarHBondContact CA-O 3.46Å; L500-Q520 HydrophobicContact CD1-CB 4.32Å; L501-Q520 PolarHBondContact N-O 3.36Å; Q520-L755 VanDerWaalsContact NE2-CB 3.31Å; Q520-L755 PolarHBondContact NE2-O 3.37Å; Q520-L759 HydrophobicContact CG-CD1 4.46Å
521H86.1Confident74.4Confident19 Ų1927.4 Ų27.49%0.08816%0.16CC..EExtended strand (participates in β ladder)trans-127.3125-170.9176.5-143000111.9L501 S503 P524L501-H521 HydrophobicContact CB-CB 4.18Å; L501-H521 HydrophobicContact CD1-CB 4.45Å; L501-H521 WeakPolarHBondContact O-CA 3.44Å; S503-H521 PolarHBondContact OG-NE2 3.04Å; H521-P524 PolarHBondContact CE1-O 3.43Å
522I85.6Confident75.3Confident4 Ų427.2 Ų27.22%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-100.598.6171.3-61.8175000107.4L500 L501 V502 S503 C653 L755 L758L500-I522 HydrophobicContact CD1-CD1 4.03Å; L500-I522 HydrophobicContact CD1-CG1 4.16Å; L500-I522 HydrophobicContact CD2-CD1 4.28Å; L501-I522 PolarHBondContact O-N 3.49Å; V502-I522 WeakPolarHBondContact CA-O 3.48Å; V502-I522 HydrophobicContact CG2-CB 4.44Å; S503-I522 PolarHBondContact N-O 3.14Å; I522-C653 WeakPolarHBondContact CG2-SG 3.25Å; I522-L755 HydrophobicContact CD1-CD2 4.16Å; I522-L755 HydrophobicContact CG1-CD2 4.32Å; I522-L758 HydrophobicContact CG1-CD2 3.8Å
523G85.6Confident76.4Confident2 Ų222.7 Ų22.72%0.02114%0.142CC..SBendtrans163.7-168.2-174.700000111.8A525G523-A525 PolarHBondContact O-N 3.34Å
524P83.3Confident77.7Confident6 Ų622.7 Ų22.74%0.03914%0.142CC..  trans-70.4117.4177.227.7-32.4000110.5L507 P513 H521 I526 V529L507-P524 HydrophobicContact CD1-CG 4.07Å; P513-P524 HydrophobicContact CB-CG 4.08Å; P513-P524 VanDerWaalsContact CB-O 3.26Å; P513-P524 WeakPolarHBondContact CB-O 3.39Å; P513-P524 HydrophobicContact CG-CB 4.34Å; P513-P524 HydrophobicContact CG-CG 4.12Å; P513-P524 VanDerWaalsContact CG-O 3.29Å; P513-P524 WeakPolarHBondContact CG-O 3.34Å; H521-P524 PolarHBondContact CE1-O 3.43Å; P524-I526 PolarHBondContact O-N 3.34Å; P524-V529 HydrophobicContact CB-CB 4.32Å; P524-V529 HydrophobicContact CB-CG1 4Å
525A77.1Confident79Confident22 Ų2222.2 Ų22.218%0.18214%0.139CC..SBendtrans-73.8-22.2-170.500000115.2G523G523-A525 PolarHBondContact O-N 3.34Å
526I81.3Confident80.4Confident19 Ų1918.8 Ų18.810%0.09711%0.114CC..SBendtrans-143.4155175.857.6171.6000109.7P524 E528 V529 V769 L770P524-I526 PolarHBondContact O-N 3.34Å; I526-E528 HydrophobicContact CD1-CB 3.95Å; I526-E528 HydrophobicContact CD1-CG 4.47Å; I526-E528 HydrophobicContact CG1-CB 4.27Å; I526-E528 PolarHBondContact O-N 3Å; I526-V529 HydrophobicContact CD1-CG2 4.35Å; I526-V529 HydrophobicContact CG1-CB 4.4Å; I526-V529 HydrophobicContact CG1-CG2 3.69Å; I526-V529 WeakPolarHBondContact O-CB 3.34Å; I526-V529 PolarHBondContact O-N 3.32Å; I526-V529 VanDerWaalsContact O-N 3.11Å; I526-V769 HydrophobicContact CD1-CB 4.4Å; I526-V769 HydrophobicContact CD1-CG1 4.37Å; I526-L770 HydrophobicContact CD1-CD1 4.25Å; I526-L770 HydrophobicContact CD1-CD2 4.23Å; I526-L770 HydrophobicContact CD1-CG 3.88Å
527P79.4Confident82Confident21 Ų2118 Ų1814%0.13611%0.107CC..Hα-helixtrans-58.4-32.3-179.2-22.132.8000114R512 V529 S530 V805R512-P527 HydrophobicContact CB-CG 3.93Å; R512-P527 HydrophobicContact CG-CG 4.16Å; P527-V529 PolarHBondContact O-N 2.94Å; P527-S530 PolarHBondContact O-N 3.26Å; P527-V805 HydrophobicContact CB-CG2 3.78Å
528E84.6Confident83.6Confident25 Ų2515.4 Ų15.412%0.1179%0.089CC..Hα-helixtrans-59.5-28178.5-68.767.1-153.800112.6I526 S531 V769 L770 V805I526-E528 HydrophobicContact CD1-CB 3.95Å; I526-E528 HydrophobicContact CD1-CG 4.47Å; I526-E528 HydrophobicContact CG1-CB 4.27Å; I526-E528 PolarHBondContact O-N 3Å; E528-S531 WeakPolarHBondContact O-CB 3.49Å; E528-S531 PolarHBondContact O-N 3.44Å; E528-S531 VanDerWaalsContact O-N 3.15Å; E528-S531 PolarHBondContact O-OG 3.23Å; E528-V769 HydrophobicContact CB-CG1 3.79Å; E528-L770 HydrophobicContact CG-CD2 4.15Å; E528-V805 HydrophobicContact CG-CG1 4.48Å
529V84Confident84.9Confident4 Ų412 Ų122%0.0247%0.068CC..Hα-helixtrans-72.3-29.2-178.71680000112.7P524 I526 P527 S531 F534 F727 V769P524-V529 HydrophobicContact CB-CB 4.32Å; P524-V529 HydrophobicContact CB-CG1 4Å; I526-V529 HydrophobicContact CD1-CG2 4.35Å; I526-V529 HydrophobicContact CG1-CB 4.4Å; I526-V529 HydrophobicContact CG1-CG2 3.69Å; I526-V529 WeakPolarHBondContact O-CB 3.34Å; I526-V529 PolarHBondContact O-N 3.32Å; I526-V529 VanDerWaalsContact O-N 3.11Å; P527-V529 PolarHBondContact O-N 2.94Å; V529-S531 VanDerWaalsContact C-N 3.28Å; V529-F534 HydrophobicContact CG1-CD1 4.13Å; V529-F534 HydrophobicContact CG1-CD2 4.5Å; V529-F534 HydrophobicContact CG1-CE1 3.97Å; V529-F534 HydrophobicContact CG1-CE2 4.37Å; V529-F534 HydrophobicContact CG1-CG 4.4Å; V529-F534 HydrophobicContact CG1-CZ 4.11Å; V529-F534 HydrophobicContact CG2-CD2 4.24Å; V529-F534 HydrophobicContact CG2-CE2 4.24Å; V529-F534 VanDerWaalsContact O-CB 3.25Å; V529-F534 WeakPolarHBondContact O-CB 3.31Å; V529-F534 WeakPolarHBondContact O-CD1 3.45Å; V529-F534 VanDerWaalsContact O-CG 3.25Å; V529-F534 WeakPolarHBondContact O-CG 3.42Å; V529-F727 HydrophobicContact CG1-CD2 3.57Å; V529-F727 HydrophobicContact CG1-CE2 3.56Å; V529-V769 HydrophobicContact CG2-CG2 4.43Å
530S81Confident85.5Confident30 Ų3016.3 Ų16.321%0.219%0.087CC..Hα-helixtrans-76.4-20170-57.10000112.3N509 P527N509-S530 PolarHBondContact OD1-O 2.79Å; N509-S530 VanDerWaalsContact OD1-O 3.11Å; P527-S530 PolarHBondContact O-N 3.26Å
531S85.3Confident85.9Confident8 Ų815.6 Ų15.66%0.0569%0.085CC..SBendtrans-85.4170-162.382.80000115.7E528 V529 W533 F534E528-S531 WeakPolarHBondContact O-CB 3.49Å; E528-S531 PolarHBondContact O-N 3.44Å; E528-S531 VanDerWaalsContact O-N 3.15Å; E528-S531 PolarHBondContact O-OG 3.23Å; V529-S531 VanDerWaalsContact C-N 3.28Å; S531-W533 PolarHBondContact O-N 3.03Å; S531-W533 VanDerWaalsContact O-N 3.08Å; S531-W533 PolarHBondContact OG-N 3.19Å; S531-F534 WeakPolarHBondContact O-CB 3.35Å; S531-F534 PolarHBondContact O-N 2.86Å
532V87.1Confident85.9Confident7 Ų715.3 Ų15.34%0.0428%0.084CC..Hα-helixtrans-46.5-33.6168.4169.20000113.6F534 K535 L536 L550 T573 W575 L601V532-F534 VanDerWaalsContact C-N 3.32Å; V532-F534 PolarHBondContact O-N 2.93Å; V532-K535 PolarHBondContact O-N 3.45Å; V532-L536 PolarHBondContact O-N 2.87Å; V532-L550 HydrophobicContact CG1-CD1 3.94Å; V532-L550 HydrophobicContact CG1-CD2 4.24Å; V532-T573 HydrophobicContact CG2-CG2 3.91Å; V532-W575 HydrophobicContact CB-CE3 4.23Å; V532-W575 HydrophobicContact CB-CH2 4.22Å; V532-W575 HydrophobicContact CB-CZ3 3.72Å; V532-W575 HydrophobicContact CG1-CE3 4.29Å; V532-W575 HydrophobicContact CG1-CH2 4.32Å; V532-W575 HydrophobicContact CG1-CZ3 3.59Å; V532-W575 HydrophobicContact CG2-CE3 4.41Å; V532-W575 HydrophobicContact CG2-CZ3 4.39Å; V532-L601 HydrophobicContact CG1-CB 3.97Å; V532-L601 HydrophobicContact CG1-CD2 4.18Å; V532-L601 HydrophobicContact CG1-CG 4.45Å
533W89.3Confident85.8Confident0 Ų016.6 Ų16.60%010%0.099CC..Hα-helixtrans-64.1-35.5176-76.3122000113S531 K535 L536 Y537 L550 W575 F772 V773 F776 P806 P808 L812S531-W533 PolarHBondContact O-N 3.03Å; S531-W533 VanDerWaalsContact O-N 3.08Å; S531-W533 PolarHBondContact OG-N 3.19Å; W533-K535 VanDerWaalsContact C-N 3.35Å; W533-L536 HydrophobicContact CE3-CD1 4.48Å; W533-L536 PolarHBondContact O-N 3.15Å; W533-Y537 WeakPolarHBondContact O-CB 3.35Å; W533-Y537 PolarHBondContact O-N 3.4Å; W533-L550 HydrophobicContact CZ3-CD2 4.42Å; W533-W575 AromaticContact CD1-CH2 3.64Å; W533-W575 AromaticContact CD1-CZ2 3.81Å; W533-W575 HydrophobicContact CD2-CH2 4.33Å; W533-W575 AromaticContact CE2-CH2 3.87Å; W533-W575 HydrophobicContact CG-CH2 4.2Å; W533-W575 AromaticContact NE1-CH2 3.4Å; W533-W575 AromaticContact NE1-CZ2 3.55Å; W533-F772 HydrophobicContact CE3-CE1 4.24Å; W533-V773 HydrophobicContact CB-CG2 3.73Å; W533-V773 HydrophobicContact CD2-CG1 4.47Å; W533-V773 HydrophobicContact CD2-CG2 3.85Å; W533-V773 HydrophobicContact CE3-CG2 4.34Å; W533-V773 HydrophobicContact CG-CG2 3.59Å; W533-F776 HydrophobicContact CH2-CB 3.87Å; W533-F776 HydrophobicContact CZ3-CB 4.05Å; W533-F776 HydrophobicContact CZ3-CD2 4.31Å; W533-F776 HydrophobicContact CZ3-CG 4.43Å; W533-P806 PolarHBondContact NE1-O 3.25Å; W533-P808 HydrophobicContact CH2-CB 3.97Å; W533-P808 HydrophobicContact CZ2-CB 3.9Å; W533-L812 HydrophobicContact CH2-CD1 4.2Å; W533-L812 HydrophobicContact CZ3-CD1 3.74Å
534F88.8Confident85.7Confident4 Ų419.3 Ų19.32%0.01811%0.111CC..Hα-helixtrans-69.7-34.8-179.4-162.9-123.9000111.7V529 S531 V532 L536 Y537 I538 V647 L725 F727 L765 V769V529-F534 HydrophobicContact CG1-CD1 4.13Å; V529-F534 HydrophobicContact CG1-CD2 4.5Å; V529-F534 HydrophobicContact CG1-CE1 3.97Å; V529-F534 HydrophobicContact CG1-CE2 4.37Å; V529-F534 HydrophobicContact CG1-CG 4.4Å; V529-F534 HydrophobicContact CG1-CZ 4.11Å; V529-F534 HydrophobicContact CG2-CD2 4.24Å; V529-F534 HydrophobicContact CG2-CE2 4.24Å; V529-F534 VanDerWaalsContact O-CB 3.25Å; V529-F534 WeakPolarHBondContact O-CB 3.31Å; V529-F534 WeakPolarHBondContact O-CD1 3.45Å; V529-F534 VanDerWaalsContact O-CG 3.25Å; V529-F534 WeakPolarHBondContact O-CG 3.42Å; S531-F534 WeakPolarHBondContact O-CB 3.35Å; S531-F534 PolarHBondContact O-N 2.86Å; V532-F534 VanDerWaalsContact C-N 3.32Å; V532-F534 PolarHBondContact O-N 2.93Å; F534-L536 PolarHBondContact O-N 2.74Å; F534-Y537 AromaticContact CD2-CD1 3.94Å; F534-Y537 HydrophobicContact CD2-CD1 3.94Å; F534-Y537 AromaticContact CE2-CD1 3.81Å; F534-Y537 HydrophobicContact CE2-CD1 3.81Å; F534-Y537 HydrophobicContact CE2-CE1 4.32Å; F534-Y537 WeakPolarHBondContact O-CB 3.28Å; F534-Y537 PolarHBondContact O-N 2.9Å; F534-I538 HydrophobicContact CD1-CD1 3.81Å; F534-I538 HydrophobicContact CD1-CG1 4.41Å; F534-I538 HydrophobicContact CE1-CD1 3.94Å; F534-I538 HydrophobicContact CE1-CG1 4.36Å; F534-I538 HydrophobicContact CG-CD1 4.41Å; F534-I538 WeakPolarHBondContact O-CD1 3.44Å; F534-I538 VanDerWaalsContact O-CG1 3.23Å; F534-I538 WeakPolarHBondContact O-CG1 3.4Å; F534-I538 PolarHBondContact O-N 2.97Å; F534-V647 HydrophobicContact CZ-CG1 4.44Å; F534-L725 HydrophobicContact CE1-CB 4.03Å; F534-L725 HydrophobicContact CE1-CD2 3.8Å; F534-L725 HydrophobicContact CE1-CG 4.02Å; F534-L725 HydrophobicContact CZ-CD2 3.92Å; F534-F727 AromaticContact CE1-CE2 3.73Å; F534-F727 HydrophobicContact CE1-CE2 3.73Å; F534-F727 HydrophobicContact CE1-CZ 4.42Å; F534-F727 AromaticContact CZ-CE2 3.77Å; F534-F727 HydrophobicContact CZ-CE2 3.77Å; F534-F727 HydrophobicContact CZ-CZ 4.21Å; F534-L765 HydrophobicContact CE2-CD1 4.19Å; F534-V769 HydrophobicContact CD2-CG2 3.84Å; F534-V769 HydrophobicContact CE2-CG2 3.87Å
535K89.6Confident85.9Confident11 Ų1119.6 Ų19.65%0.04812%0.115CC..Hα-helixtrans-57.5-49171.5-58.3-167.7-177.1-165.10111.2V532 W533 Y537 I538 Y539 L601 E724V532-K535 PolarHBondContact O-N 3.45Å; W533-K535 VanDerWaalsContact C-N 3.35Å; K535-Y537 PolarHBondContact O-N 3.21Å; K535-I538 PolarHBondContact O-N 3.36Å; K535-Y539 HydrophobicContact CB-CE2 4.24Å; K535-Y539 WeakPolarHBondContact O-CD1 3.19Å; K535-Y539 VanDerWaalsContact O-CD2 3.26Å; K535-Y539 WeakPolarHBondContact O-CD2 3.01Å; K535-Y539 WeakPolarHBondContact O-CE1 3.4Å; K535-Y539 WeakPolarHBondContact O-CE2 3.48Å; K535-Y539 PolarHBondContact O-N 3.28Å; K535-L601 HydrophobicContact CD-CD2 4.39Å; K535-E724 WeakPolarHBondContact CE-OE1 3.46Å; K535-E724 IonicContact NZ-OE1 2.7Å; K535-E724 PolarHBondContact NZ-OE1 3.19Å; K535-E724 IonicContact NZ-OE2 3.53Å
536L88.7Confident86.4Confident1 Ų118.7 Ų18.71%0.00511%0.107CC..Hα-helixtrans-66.4-35.4175.4-64.5-175.3000113.3V532 W533 F534 Y539 H540 L550 L601 F772 L812 L819V532-L536 PolarHBondContact O-N 2.87Å; W533-L536 HydrophobicContact CE3-CD1 4.48Å; W533-L536 PolarHBondContact O-N 3.15Å; F534-L536 PolarHBondContact O-N 2.74Å; L536-Y539 HydrophobicContact CD2-CD2 4.26Å; L536-Y539 PolarHBondContact O-N 2.85Å; L536-H540 WeakPolarHBondContact O-CB 3.32Å; L536-H540 PolarHBondContact O-N 3.23Å; L536-L550 HydrophobicContact CD1-CB 4Å; L536-L550 HydrophobicContact CD1-CD2 3.57Å; L536-L550 HydrophobicContact CD1-CG 4.44Å; L536-L601 HydrophobicContact CD2-CD1 4.13Å; L536-F772 HydrophobicContact CB-CE1 4.33Å; L536-F772 HydrophobicContact CB-CZ 4.17Å; L536-L812 HydrophobicContact CD1-CD1 4.14Å; L536-L819 HydrophobicContact CD2-CD1 4.28Å
537Y89.5Confident86.8Confident15 Ų1519.3 Ų19.36%0.05911%0.112CC..Hα-helixtrans-62.6-45.7175178.8-111.5000111.5W533 F534 K535 Y539 H540 I541 L765 Q768 V769 F772W533-Y537 WeakPolarHBondContact O-CB 3.35Å; W533-Y537 PolarHBondContact O-N 3.4Å; F534-Y537 AromaticContact CD2-CD1 3.94Å; F534-Y537 HydrophobicContact CD2-CD1 3.94Å; F534-Y537 AromaticContact CE2-CD1 3.81Å; F534-Y537 HydrophobicContact CE2-CD1 3.81Å; F534-Y537 HydrophobicContact CE2-CE1 4.32Å; F534-Y537 WeakPolarHBondContact O-CB 3.28Å; F534-Y537 PolarHBondContact O-N 2.9Å; K535-Y537 PolarHBondContact O-N 3.21Å; Y537-Y539 PolarHBondContact O-N 3.06Å; Y537-H540 PolarHBondContact O-N 3.07Å; Y537-I541 HydrophobicContact CD1-CD1 4.25Å; Y537-I541 HydrophobicContact CD2-CG2 4.12Å; Y537-I541 HydrophobicContact CE1-CD1 3.79Å; Y537-I541 HydrophobicContact CE1-CG2 4.31Å; Y537-I541 HydrophobicContact CE2-CG2 3.64Å; Y537-I541 WeakPolarHBondContact O-CG1 3.42Å; Y537-I541 PolarHBondContact O-N 3.45Å; Y537-L765 HydrophobicContact CE1-CD1 4.09Å; Y537-Q768 WeakPolarHBondContact OH-CB 3.45Å; Y537-Q768 PolarHBondContact OH-OE1 2.57Å; Y537-Q768 VanDerWaalsContact OH-OE1 3.09Å; Y537-V769 HydrophobicContact CD1-CG2 3.82Å; Y537-V769 HydrophobicContact CE1-CG2 3.9Å; Y537-V769 HydrophobicContact CG-CG2 4.28Å; Y537-F772 HydrophobicContact CD2-CB 3.88Å; Y537-F772 AromaticContact CD2-CD1 3.97Å; Y537-F772 HydrophobicContact CD2-CD1 3.97Å; Y537-F772 AromaticContact CD2-CD2 3.83Å; Y537-F772 HydrophobicContact CD2-CD2 3.83Å; Y537-F772 HydrophobicContact CD2-CE1 4.43Å; Y537-F772 HydrophobicContact CD2-CE2 4.3Å; Y537-F772 AromaticContact CD2-CG 3.64Å; Y537-F772 HydrophobicContact CD2-CG 3.64Å; Y537-F772 HydrophobicContact CE2-CB 4.26Å; Y537-F772 HydrophobicContact CE2-CG 4.43Å; Y537-F772 HydrophobicContact CG-CD1 4.39Å; Y537-F772 HydrophobicContact CG-CG 4.49Å
538I89.8Confident87.3Confident1 Ų118.3 Ų18.31%0.00511%0.106CC..Hα-helixtrans-53.6-54.7174.7-70.1158.4000110F534 K535 H540 I541 T542 L643 P722 L725F534-I538 HydrophobicContact CD1-CD1 3.81Å; F534-I538 HydrophobicContact CD1-CG1 4.41Å; F534-I538 HydrophobicContact CE1-CD1 3.94Å; F534-I538 HydrophobicContact CE1-CG1 4.36Å; F534-I538 HydrophobicContact CG-CD1 4.41Å; F534-I538 WeakPolarHBondContact O-CD1 3.44Å; F534-I538 VanDerWaalsContact O-CG1 3.23Å; F534-I538 WeakPolarHBondContact O-CG1 3.4Å; F534-I538 PolarHBondContact O-N 2.97Å; K535-I538 PolarHBondContact O-N 3.36Å; I538-H540 VanDerWaalsContact C-N 3.27Å; I538-H540 PolarHBondContact O-N 2.8Å; I538-I541 WeakPolarHBondContact O-CG1 3.36Å; I538-I541 PolarHBondContact O-N 2.9Å; I538-I541 VanDerWaalsContact O-N 3.16Å; I538-T542 HydrophobicContact CG2-CG2 4.36Å; I538-T542 WeakPolarHBondContact O-CG2 3.23Å; I538-T542 PolarHBondContact O-N 3.36Å; I538-T542 PolarHBondContact O-OG1 2.96Å; I538-L643 HydrophobicContact CG1-CD2 4.34Å; I538-L643 HydrophobicContact CG2-CD1 4.38Å; I538-L643 HydrophobicContact CG2-CD2 4.22Å; I538-P722 HydrophobicContact CG2-CB 4.22Å; I538-P722 HydrophobicContact CG2-CG 4.21Å; I538-L725 HydrophobicContact CD1-CB 3.61Å
539Y90.6Very high87.7Confident0 Ų017.1 Ų17.10%010%0.101CC..Hα-helixtrans-63.9-33.9-177.2-46.7-27.5000112.3K535 L536 Y537 T542 G543 Q603 P722 L723 F814K535-Y539 HydrophobicContact CB-CE2 4.24Å; K535-Y539 WeakPolarHBondContact O-CD1 3.19Å; K535-Y539 VanDerWaalsContact O-CD2 3.26Å; K535-Y539 WeakPolarHBondContact O-CD2 3.01Å; K535-Y539 WeakPolarHBondContact O-CE1 3.4Å; K535-Y539 WeakPolarHBondContact O-CE2 3.48Å; K535-Y539 PolarHBondContact O-N 3.28Å; L536-Y539 HydrophobicContact CD2-CD2 4.26Å; L536-Y539 PolarHBondContact O-N 2.85Å; Y537-Y539 PolarHBondContact O-N 3.06Å; Y539-T542 PolarHBondContact O-OG1 3.14Å; Y539-G543 WeakPolarHBondContact O-CA 3.15Å; Y539-G543 PolarHBondContact O-N 2.78Å; Y539-Q603 VanDerWaalsContact CE2-NE2 3.34Å; Y539-Q603 PolarHBondContact OH-NE2 3.41Å; Y539-P722 WeakPolarHBondContact CE1-O 3.41Å; Y539-L723 PolarHBondContact OH-O 3.23Å; Y539-F814 HydrophobicContact CD2-CD1 4.35Å; Y539-F814 HydrophobicContact CD2-CG 4.48Å; Y539-F814 HydrophobicContact CG-CD1 4.47Å; Y539-F814 HydrophobicContact CG-CE1 4.48Å; Y539-F814 WeakPolarHBondContact O-CE2 3.44Å
540H88.1Confident88Confident99 Ų9917 Ų1746%0.45810%0.099SC..Hα-helixtrans-67-39.5174.717771.1000113L536 Y537 I538 F772 L819L536-H540 WeakPolarHBondContact O-CB 3.32Å; L536-H540 PolarHBondContact O-N 3.23Å; Y537-H540 PolarHBondContact O-N 3.07Å; I538-H540 VanDerWaalsContact C-N 3.27Å; I538-H540 PolarHBondContact O-N 2.8Å; H540-F772 HydrophobicContact CB-CE2 3.78Å; H540-F772 HydrophobicContact CB-CZ 4.27Å; H540-F772 AromaticContact CD2-CD2 3.93Å; H540-F772 AromaticContact CD2-CE2 3.71Å; H540-F772 AromaticContact CG-CE2 3.72Å; H540-L819 HydrophobicContact CB-CD2 4.29Å
541I88.5Confident88.4Confident30 Ų3015.5 Ų15.515%0.1549%0.089CC..Hα-helixtrans-83.8-26.9-17966.4175000113.9Y537 I538 I642 L643 R646 V647Y537-I541 HydrophobicContact CD1-CD1 4.25Å; Y537-I541 HydrophobicContact CD2-CG2 4.12Å; Y537-I541 HydrophobicContact CE1-CD1 3.79Å; Y537-I541 HydrophobicContact CE1-CG2 4.31Å; Y537-I541 HydrophobicContact CE2-CG2 3.64Å; Y537-I541 WeakPolarHBondContact O-CG1 3.42Å; Y537-I541 PolarHBondContact O-N 3.45Å; I538-I541 WeakPolarHBondContact O-CG1 3.36Å; I538-I541 PolarHBondContact O-N 2.9Å; I538-I541 VanDerWaalsContact O-N 3.16Å; I541-I642 VanDerWaalsContact O-CG2 3.31Å; I541-I642 WeakPolarHBondContact O-CG2 3.46Å; I541-L643 HydrophobicContact CD1-CD2 3.83Å; I541-L643 HydrophobicContact CG1-CD2 4.3Å; I541-R646 HydrophobicContact CD1-CB 3.96Å; I541-V647 HydrophobicContact CD1-CG2 3.69Å
542T86.3Confident88.5Confident12 Ų1216.2 Ų16.27%0.0749%0.094CC..Hα-helixtrans-86.7-27.5176.257.60000113.1I538 Y539 Q544 A639 L643I538-T542 HydrophobicContact CG2-CG2 4.36Å; I538-T542 WeakPolarHBondContact O-CG2 3.23Å; I538-T542 PolarHBondContact O-N 3.36Å; I538-T542 PolarHBondContact O-OG1 2.96Å; Y539-T542 PolarHBondContact O-OG1 3.14Å; T542-Q544 PolarHBondContact O-N 3.11Å; T542-Q544 PolarHBondContact OG1-N 3.03Å; T542-Q544 PolarHBondContact OG1-O 3.05Å; T542-A639 HydrophobicContact CG2-CB 3.87Å; T542-L643 HydrophobicContact CG2-CD1 4.14Å; T542-L643 HydrophobicContact CG2-CD2 4.06Å; T542-L643 HydrophobicContact CG2-CG 3.79Å
543G84.1Confident88.5Confident32 Ų3221.5 Ų21.533%0.3312%0.117SC..SBendtrans66.812.9-164.300000113.4Y539 G817Y539-G543 WeakPolarHBondContact O-CA 3.15Å; Y539-G543 PolarHBondContact O-N 2.78Å; G543-G817 VanDerWaalsContact O-CA 3.29Å; G543-G817 WeakPolarHBondContact O-CA 3.47Å
544Q84Confident88.2Confident58 Ų5824.5 Ų24.527%0.27115%0.148SC..  trans-139.2127.7-173.6-66.5-175.2-32.200110.3T542 H637 A639 P722T542-Q544 PolarHBondContact O-N 3.11Å; T542-Q544 PolarHBondContact OG1-N 3.03Å; T542-Q544 PolarHBondContact OG1-O 3.05Å; Q544-H637 PolarHBondContact OE1-CE1 2.73Å; Q544-H637 VanDerWaalsContact OE1-CE1 3.29Å; Q544-A639 HydrophobicContact CB-CB 4.42Å; Q544-P722 VanDerWaalsContact O-CG 3.23Å; Q544-P722 WeakPolarHBondContact O-CG 3.33Å
545G86.7Confident88Confident12 Ų1225.6 Ų25.612%0.12416%0.155CC..  trans176.1164.5-17600000110.1
546P88.1Confident87.7Confident4 Ų435.2 Ų35.23%0.02619%0.191CC..  trans-65.6149.4174.528.2-34.6000111S548 Q603 G604 L659 V721 P722 L723P546-S548 PolarHBondContact O-N 3.14Å; P546-S548 VanDerWaalsContact O-N 3.13Å; P546-S548 PolarHBondContact O-OG 2.87Å; P546-Q603 HydrophobicContact CG-CB 4.44Å; P546-G604 WeakPolarHBondContact CB-O 3.16Å; P546-L659 HydrophobicContact CB-CD2 4.37Å; P546-V721 HydrophobicContact CB-CG2 4.41Å; P546-P722 WeakPolarHBondContact CD-O 3.2Å; P546-L723 HydrophobicContact CG-CD1 4.02Å
547P88.6Confident87.5Confident31 Ų3135.6 Ų35.620%0.20119%0.192CC..  trans-52.4122.6171.2-24.934.9000109.7F564 Y567 Q603 G604P547-F564 WeakPolarHBondContact O-CE1 3.39Å; P547-Y567 WeakPolarHBondContact CD-OH 3.49Å; P547-Y567 HydrophobicContact CG-CE2 4.26Å; P547-Y567 WeakPolarHBondContact CG-OH 3.36Å; P547-Q603 WeakPolarHBondContact O-CA 3.42Å; P547-G604 PolarHBondContact O-N 2.77Å
548S91.7Very high87.3Confident1 Ų146.4 Ų46.41%0.00723%0.233CC..EExtended strand (participates in β ladder)trans-137.6143.8-167.7-61.20000111.7P546 I602 Q603 I813 F814P546-S548 PolarHBondContact O-N 3.14Å; P546-S548 VanDerWaalsContact O-N 3.13Å; P546-S548 PolarHBondContact O-OG 2.87Å; S548-I602 CarbonylContact C-O 3.59Å; S548-I602 VanDerWaalsContact CA-O 3.29Å; S548-I602 WeakPolarHBondContact CA-O 3.45Å; S548-Q603 PolarHBondContact OG-NE2 3.24Å; S548-I813 WeakPolarHBondContact O-CA 2.88Å; S548-F814 PolarHBondContact N-O 3.16Å; S548-F814 VanDerWaalsContact N-O 3.09Å; S548-F814 PolarHBondContact O-N 3.31Å
549L91.1Very high87Confident0 Ų052.2 Ų52.20%026%0.259CS..EExtended strand (participates in β ladder)trans-138113-179.7177.865.1000109.5L551 P561 F564 I602 L812 I813 W822L549-L551 HydrophobicContact CD1-CD2 3.91Å; L549-L551 HydrophobicContact CD2-CD1 4.3Å; L549-L551 HydrophobicContact CD2-CD2 4.03Å; L549-L551 HydrophobicContact CD2-CG 4.29Å; L549-L551 HydrophobicContact CG-CD2 3.79Å; L549-L551 HydrophobicContact CG-CG 4Å; L549-P561 HydrophobicContact CD2-CG 3.78Å; L549-F564 HydrophobicContact CB-CE2 3.86Å; L549-F564 HydrophobicContact CB-CZ 3.82Å; L549-F564 HydrophobicContact CD2-CE2 4.03Å; L549-I602 HydrophobicContact CD2-CD1 4.37Å; L549-I602 PolarHBondContact N-O 2.85Å; L549-I602 PolarHBondContact O-N 3.17Å; L549-L812 CarbonylContact C-O 3.56Å; L549-L812 WeakPolarHBondContact CA-O 3.47Å; L549-I813 HydrophobicContact CD1-CB 3.97Å; L549-I813 HydrophobicContact CD1-CG1 4.38Å; L549-W822 HydrophobicContact CD1-CB 3.97Å; L549-W822 HydrophobicContact CD1-CD2 3.88Å; L549-W822 HydrophobicContact CD1-CE3 4.26Å; L549-W822 HydrophobicContact CD1-CG 3.74Å
550L90.4Very high86.6Confident0 Ų053.2 Ų53.20%026%0.263CS..EExtended strand (participates in β ladder)trans-94.1127171.7178.357.7000109.5V532 W533 L536 W575 L601 P808 N811 L812V532-L550 HydrophobicContact CG1-CD1 3.94Å; V532-L550 HydrophobicContact CG1-CD2 4.24Å; W533-L550 HydrophobicContact CZ3-CD2 4.42Å; L536-L550 HydrophobicContact CD1-CB 4Å; L536-L550 HydrophobicContact CD1-CD2 3.57Å; L536-L550 HydrophobicContact CD1-CG 4.44Å; L550-W575 HydrophobicContact CD1-CZ3 4.04Å; L550-W575 HydrophobicContact CD2-CZ3 4.29Å; L550-L601 HydrophobicContact CB-CD1 3.94Å; L550-L601 HydrophobicContact CD1-CB 4.27Å; L550-P808 HydrophobicContact CD1-CG 4.19Å; L550-P808 HydrophobicContact CD2-CB 3.86Å; L550-P808 HydrophobicContact CD2-CG 4.01Å; L550-P808 HydrophobicContact CG-CB 4.23Å; L550-P808 HydrophobicContact CG-CG 4.07Å; L550-N811 CarbonylContact O-C 3.2Å; L550-N811 WeakPolarHBondContact O-CA 3.24Å; L550-L812 HydrophobicContact CB-CB 4.42Å; L550-L812 PolarHBondContact N-O 3.29Å; L550-L812 PolarHBondContact O-N 3.22Å
551L89.4Confident86.5Confident0 Ų049.3 Ų49.30%025%0.247CC..EExtended strand (participates in β ladder)trans-116.3131.8-178.9-62.2178.1000111.2L549 T555 L557 L595 A599 V600 I602 N811 W822L549-L551 HydrophobicContact CD1-CD2 3.91Å; L549-L551 HydrophobicContact CD2-CD1 4.3Å; L549-L551 HydrophobicContact CD2-CD2 4.03Å; L549-L551 HydrophobicContact CD2-CG 4.29Å; L549-L551 HydrophobicContact CG-CD2 3.79Å; L549-L551 HydrophobicContact CG-CG 4Å; L551-T555 HydrophobicContact CD2-CG2 4.23Å; L551-L557 HydrophobicContact CD1-CD1 3.79Å; L551-L557 HydrophobicContact CD1-CD2 3.89Å; L551-L557 HydrophobicContact CD1-CG 3.98Å; L551-L595 HydrophobicContact CB-CD1 4.22Å; L551-L595 HydrophobicContact CB-CD2 3.73Å; L551-L595 HydrophobicContact CD1-CD1 3.83Å; L551-A599 WeakPolarHBondContact O-CA 3.19Å; L551-A599 WeakPolarHBondContact O-CB 3.3Å; L551-V600 PolarHBondContact N-O 3Å; L551-V600 PolarHBondContact O-N 2.92Å; L551-I602 HydrophobicContact CD1-CD1 3.82Å; L551-N811 VanDerWaalsContact CA-OD1 3.28Å; L551-N811 WeakPolarHBondContact CA-OD1 3.4Å; L551-N811 HydrophobicContact CD2-CB 4.13Å; L551-W822 HydrophobicContact CD2-CE3 3.69Å; L551-W822 HydrophobicContact CD2-CZ3 3.73Å
552S89.1Confident86.2Confident22 Ų2251.7 Ų51.715%0.15426%0.26CS..  trans-74.4148175.265.40000111.5G554 T555 P808 N811S552-G554 PolarHBondContact O-N 3.3Å; S552-T555 VanDerWaalsContact O-CB 3.24Å; S552-T555 WeakPolarHBondContact O-CB 3.45Å; S552-T555 PolarHBondContact O-N 3.12Å; S552-T555 VanDerWaalsContact O-N 3.07Å; S552-T555 PolarHBondContact O-OG1 2.99Å; S552-T555 VanDerWaalsContact O-OG1 3.06Å; S552-T555 PolarHBondContact OG-OG1 3.37Å; S552-P808 WeakPolarHBondContact CB-O 3.5Å; S552-N811 PolarHBondContact N-OD1 2.89Å; S552-N811 PolarHBondContact OG-OD1 2.94Å
553K85.9Confident86Confident119 Ų11952.4 Ų52.452%0.51726%0.263SS..THydrogen-bonded Turntrans-53.2133.8178.8-178.4174.1175.8163.10111.2T596 H597 S598K553-T596 WeakPolarHBondContact CE-O 3.05Å; K553-H597 WeakPolarHBondContact CD-O 3.12Å; K553-H597 WeakPolarHBondContact CE-O 3.4Å; K553-H597 PolarHBondContact NZ-O 3.03Å; K553-S598 WeakPolarHBondContact CA-O 3.37Å; K553-S598 WeakPolarHBondContact CB-O 3.29Å
554G82.9Confident86.1Confident63 Ų6350.9 Ų50.965%0.64925%0.248SC*.THydrogen-bonded Turntrans87.9-7.4-176.100000115S552 L595S552-G554 PolarHBondContact O-N 3.3Å; G554-L595 PolarHBondContact N-O 3.19Å
555T85.1Confident85.9Confident27 Ų2753.2 Ų53.217%0.16626%0.258CS..  trans-65.9135.5171-66.50000110.5L551 S552 L595 N811 W822L551-T555 HydrophobicContact CD2-CG2 4.23Å; S552-T555 VanDerWaalsContact O-CB 3.24Å; S552-T555 WeakPolarHBondContact O-CB 3.45Å; S552-T555 PolarHBondContact O-N 3.12Å; S552-T555 VanDerWaalsContact O-N 3.07Å; S552-T555 PolarHBondContact O-OG1 2.99Å; S552-T555 VanDerWaalsContact O-OG1 3.06Å; S552-T555 PolarHBondContact OG-OG1 3.37Å; T555-L595 WeakPolarHBondContact O-CB 3.14Å; T555-L595 WeakPolarHBondContact O-CD1 3.39Å; T555-N811 PolarHBondContact OG1-ND2 2.63Å; T555-N811 PolarHBondContact OG1-OD1 2.62Å; T555-W822 HydrophobicContact CG2-CZ3 4.43Å
556R83.6Confident85.6Confident213 Ų21356.2 Ų56.280%0.80428%0.277SS*.  trans-119119.6-179.5-166.6-178.6179.61672.3112N592R556-N592 WeakPolarHBondContact CA-OD1 3.2Å; R556-N592 WeakPolarHBondContact CG-OD1 3.47Å
557L84.3Confident85.4Confident8 Ų857.4 Ų57.44%0.04228%0.281CS..  trans-87131.6178.5-63.3-179.5000111.4L551 L588 L591 N592 I602 W822L551-L557 HydrophobicContact CD1-CD1 3.79Å; L551-L557 HydrophobicContact CD1-CD2 3.89Å; L551-L557 HydrophobicContact CD1-CG 3.98Å; L557-L588 HydrophobicContact CB-CD1 3.57Å; L557-L588 HydrophobicContact CD1-CD1 4.4Å; L557-L591 HydrophobicContact CD1-CB 4.45Å; L557-L591 HydrophobicContact CD1-CD1 4.07Å; L557-N592 PolarHBondContact N-OD1 3.03Å; L557-N592 PolarHBondContact O-ND2 3.47Å; L557-N592 PolarHBondContact O-OD1 3.34Å; L557-I602 HydrophobicContact CD1-CD1 4.29Å; L557-W822 HydrophobicContact CD2-CH2 3.65Å; L557-W822 HydrophobicContact CD2-CZ3 4.07Å
558R84.4Confident85.1Confident243 Ų24360.4 Ų60.492%0.91730%0.296SS*.SBendtrans-97.7-23.8173-65.3-172.9-178.7-167.10.7114.1
559K83.8Confident84.8Confident123 Ų12364.4 Ų64.454%0.53531%0.311SS..SBendtrans-148.1148.6176.3-169.5-159.2174-170.70106.3D562K559-D562 IonicContact NZ-OD1 3.87Å; K559-D562 PolarHBondContact NZ-OD1 3.45Å
560L83.6Confident84.7Confident20 Ų2064.4 Ų64.411%0.10531%0.311CS..  trans-65130.7165.4-173.770.5000109.7F564 L570 T584 V587L560-F564 HydrophobicContact CD1-CB 4.18Å; L560-F564 HydrophobicContact CD1-CD2 3.86Å; L560-F564 HydrophobicContact CD1-CG 4.38Å; L560-F564 HydrophobicContact CD2-CB 3.73Å; L560-F564 HydrophobicContact CG-CB 3.87Å; L560-F564 HydrophobicContact CG-CD2 4.24Å; L560-L570 HydrophobicContact CD1-CD1 4.06Å; L560-L570 HydrophobicContact CD2-CD1 4.1Å; L560-T584 HydrophobicContact CD2-CG2 3.61Å; L560-V587 HydrophobicContact CD1-CG1 4.04Å; L560-V587 HydrophobicContact CD2-CG1 4.25Å
561P84.8Confident84.6Confident17 Ų1765 Ų6511%0.1131%0.314CS..  trans-57.6149.8178.4-30.339.5000113.8L549 I563 F564 W822L549-P561 HydrophobicContact CD2-CG 3.78Å; P561-I563 HydrophobicContact CB-CG1 4.08Å; P561-I563 PolarHBondContact O-N 2.87Å; P561-I563 VanDerWaalsContact O-N 3.09Å; P561-F564 HydrophobicContact CB-CD2 4.42Å; P561-F564 PolarHBondContact O-N 2.84Å; P561-F564 VanDerWaalsContact O-N 3.07Å; P561-W822 HydrophobicContact CG-CZ2 3.93Å
562D81.7Confident84.6Confident80 Ų8065.9 Ų65.943%0.42832%0.319SS..G310 helixtrans-65.6-18.6-170.5-46.5-62.8000113.8K559 F564 Q565K559-D562 IonicContact NZ-OD1 3.87Å; K559-D562 PolarHBondContact NZ-OD1 3.45Å; D562-F564 PolarHBondContact O-N 2.67Å; D562-Q565 PolarHBondContact O-N 3.32Å; D562-Q565 PolarHBondContact OD1-NE2 3.26Å
563I83.5Confident84.5Confident28 Ų2864.9 Ų64.914%0.14431%0.311CS..G310 helixtrans-63.3-17.6172.659155.4000114.7P561 I813 K815P561-I563 HydrophobicContact CB-CG1 4.08Å; P561-I563 PolarHBondContact O-N 2.87Å; P561-I563 VanDerWaalsContact O-N 3.09Å; I563-I813 HydrophobicContact CD1-CD1 3.91Å; I563-I813 HydrophobicContact CD1-CG1 4.19Å; I563-I813 HydrophobicContact CG2-CD1 4.46Å; I563-K815 HydrophobicContact CG2-CD 3.63Å; I563-K815 HydrophobicContact CG2-CG 4.02Å
564F85.1Confident84.6Confident0 Ų060.5 Ų60.50%030%0.296CS..G310 helixtrans-108.2-0.5-177.5-62.1-57000113.5P547 L549 L560 P561 D562 S566 Y567 L570 I602P547-F564 WeakPolarHBondContact O-CE1 3.39Å; L549-F564 HydrophobicContact CB-CE2 3.86Å; L549-F564 HydrophobicContact CB-CZ 3.82Å; L549-F564 HydrophobicContact CD2-CE2 4.03Å; L560-F564 HydrophobicContact CD1-CB 4.18Å; L560-F564 HydrophobicContact CD1-CD2 3.86Å; L560-F564 HydrophobicContact CD1-CG 4.38Å; L560-F564 HydrophobicContact CD2-CB 3.73Å; L560-F564 HydrophobicContact CG-CB 3.87Å; L560-F564 HydrophobicContact CG-CD2 4.24Å; P561-F564 HydrophobicContact CB-CD2 4.42Å; P561-F564 PolarHBondContact O-N 2.84Å; P561-F564 VanDerWaalsContact O-N 3.07Å; D562-F564 PolarHBondContact O-N 2.67Å; F564-S566 PolarHBondContact O-N 3.04Å; F564-Y567 PolarHBondContact O-N 3.41Å; F564-L570 HydrophobicContact CB-CD1 4.18Å; F564-L570 HydrophobicContact CB-CD2 4.07Å; F564-L570 HydrophobicContact CD1-CD2 3.59Å; F564-L570 HydrophobicContact CE1-CD2 4.31Å; F564-L570 HydrophobicContact CG-CD1 4.31Å; F564-L570 HydrophobicContact CG-CD2 4.05Å; F564-I602 HydrophobicContact CD2-CG2 4.35Å; F564-I602 HydrophobicContact CE1-CG2 4.12Å; F564-I602 HydrophobicContact CE2-CB 4.19Å; F564-I602 HydrophobicContact CE2-CG2 3.8Å; F564-I602 HydrophobicContact CZ-CB 3.97Å; F564-I602 HydrophobicContact CZ-CG2 3.67Å
565Q80.1Confident84.6Confident107 Ų10759.3 Ų59.350%0.527%0.272SS..THydrogen-bonded Turntrans-71.2-14.8-176.2-84.5161.740.700114.6D562D562-Q565 PolarHBondContact O-N 3.32Å; D562-Q565 PolarHBondContact OD1-NE2 3.26Å
566S80.8Confident84.1Confident74 Ų7459.2 Ų59.252%0.51728%0.276SS..THydrogen-bonded Turntrans-90.92.7173.958.40000113.9F564 L607F564-S566 PolarHBondContact O-N 3.04Å; S566-L607 WeakPolarHBondContact O-CD2 3.33Å
567Y83.2Confident83.9Confident29 Ų2954.1 Ų54.111%0.11426%0.261CS..  trans-112.5121.2-174.9-71.7-94.5000111.1P547 F564 R569 L570 T584 G604 L607 A661P547-Y567 WeakPolarHBondContact CD-OH 3.49Å; P547-Y567 HydrophobicContact CG-CE2 4.26Å; P547-Y567 WeakPolarHBondContact CG-OH 3.36Å; F564-Y567 PolarHBondContact O-N 3.41Å; Y567-R569 VanDerWaalsContact C-N 3.34Å; Y567-L570 HydrophobicContact CG-CD2 4.27Å; Y567-T584 WeakPolarHBondContact O-CB 3.38Å; Y567-T584 PolarHBondContact O-OG1 3.4Å; Y567-G604 VanDerWaalsContact CE1-C 3.46Å; Y567-G604 VanDerWaalsContact CE1-CA 3.48Å; Y567-L607 HydrophobicContact CD1-CD2 3.78Å; Y567-L607 HydrophobicContact CD1-CG 4.36Å; Y567-L607 HydrophobicContact CD2-CD2 4.02Å; Y567-L607 HydrophobicContact CE1-CD2 3.62Å; Y567-L607 HydrophobicContact CE1-CG 4.13Å; Y567-L607 HydrophobicContact CE2-CD2 3.87Å; Y567-L607 HydrophobicContact CG-CD2 3.98Å; Y567-A661 HydrophobicContact CE1-CB 3.97Å
568D83.8Confident83.6Confident94 Ų9458.2 Ų58.250%0.50328%0.283SS..SBendtrans-69.1-33.4171.4-80-19.4000112.2T584 G606D568-T584 PolarHBondContact O-N 3.19Å; D568-T584 PolarHBondContact O-OG1 3.07Å; D568-G606 PolarHBondContact N-O 3.17Å; D568-G606 VanDerWaalsContact N-O 3.14Å
569R85Confident83.6Confident86 Ų8649 Ų4933%0.32525%0.254SS..EExtended strand (participates in β ladder)trans-131137.5-178.9-68.5-172.9175.3-124.73.5112.3Y567 V581 H605 G606 G609Y567-R569 VanDerWaalsContact C-N 3.34Å; R569-V581 HydrophobicContact CB-CG1 3.95Å; R569-V581 HydrophobicContact CG-CG1 4.33Å; R569-H605 PolarHBondContact O-N 3.24Å; R569-G606 PolarHBondContact N-O 2.67Å; R569-G606 PolarHBondContact O-N 3.35Å; R569-G609 WeakPolarHBondContact CD-O 3.33Å
570L88.1Confident83.6Confident0 Ų044 Ų440%024%0.238CC..EExtended strand (participates in β ladder)trans-119.2141.2178.9-60.3176.6000110.2L560 F564 Y567 V582 V587 I602 Q603L560-L570 HydrophobicContact CD1-CD1 4.06Å; L560-L570 HydrophobicContact CD2-CD1 4.1Å; F564-L570 HydrophobicContact CB-CD1 4.18Å; F564-L570 HydrophobicContact CB-CD2 4.07Å; F564-L570 HydrophobicContact CD1-CD2 3.59Å; F564-L570 HydrophobicContact CE1-CD2 4.31Å; F564-L570 HydrophobicContact CG-CD1 4.31Å; F564-L570 HydrophobicContact CG-CD2 4.05Å; Y567-L570 HydrophobicContact CG-CD2 4.27Å; L570-V582 PolarHBondContact N-O 3.08Å; L570-V582 PolarHBondContact O-N 2.93Å; L570-V587 HydrophobicContact CD1-CG1 4.29Å; L570-V587 HydrophobicContact CD1-CG2 4.2Å; L570-I602 HydrophobicContact CB-CG2 4.43Å; L570-I602 HydrophobicContact CD1-CG2 4.11Å; L570-Q603 CarbonylContact C-O 3.57Å; L570-Q603 WeakPolarHBondContact CA-O 3.03Å
571L88.3Confident83.8Confident13 Ų1344.4 Ų44.47%0.06824%0.241CC..EExtended strand (participates in β ladder)trans-86.4127.6169.1-163.771.7000108.5P579 V581 I602 Q603 H605 L723L571-P579 HydrophobicContact CD1-CB 4.01Å; L571-P579 HydrophobicContact CD2-CB 4.13Å; L571-P579 HydrophobicContact CG-CB 4.01Å; L571-V581 HydrophobicContact CD1-CG2 3.59Å; L571-I602 CarbonylContact O-C 3.51Å; L571-I602 WeakPolarHBondContact O-CA 3.42Å; L571-Q603 HydrophobicContact CB-CB 4.23Å; L571-Q603 PolarHBondContact N-O 2.89Å; L571-Q603 PolarHBondContact O-N 3.29Å; L571-H605 HydrophobicContact CB-CB 4.23Å; L571-L723 HydrophobicContact CD2-CD1 4.16Å; L571-L723 HydrophobicContact CD2-CD2 4.43Å
572I89.4Confident83.8Confident18 Ų1844.4 Ų44.49%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-112.4131.6175.5-50.7-176.7000108.3P579 G580 V582 V587 L591 V600 L601I572-P579 CarbonylContact O-C 3.52Å; I572-P579 VanDerWaalsContact O-CA 3.31Å; I572-P579 WeakPolarHBondContact O-CA 3.2Å; I572-G580 PolarHBondContact N-O 2.96Å; I572-G580 PolarHBondContact O-N 2.95Å; I572-V582 HydrophobicContact CD1-CB 3.8Å; I572-V582 HydrophobicContact CD1-CG1 4.15Å; I572-V582 HydrophobicContact CD1-CG2 3.62Å; I572-V582 HydrophobicContact CG1-CB 4.25Å; I572-V582 HydrophobicContact CG1-CG2 4.13Å; I572-V587 HydrophobicContact CD1-CG2 3.77Å; I572-L591 HydrophobicContact CD1-CD2 3.93Å; I572-L591 HydrophobicContact CD1-CG 4.33Å; I572-L591 HydrophobicContact CG1-CD2 4.37Å; I572-L591 HydrophobicContact CG2-CD2 3.99Å; I572-V600 HydrophobicContact CG2-CG1 3.43Å; I572-V600 VanDerWaalsContact CG2-CG1 3.43Å; I572-L601 WeakPolarHBondContact CA-O 3.45Å
573T88.1Confident84Confident1 Ų143.3 Ų43.31%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-126.6108.2171.2-40.90000109.4V532 P579 L601V532-T573 HydrophobicContact CG2-CG2 3.91Å; T573-P579 HydrophobicContact CG2-CB 4.34Å; T573-L601 PolarHBondContact N-O 3.38Å; T573-L601 PolarHBondContact O-N 2.77Å
574S86.8Confident84Confident26 Ų2643.7 Ų43.718%0.18224%0.242CC..EExtended strand (participates in β ladder)trans-78.5148.7172.6-61.60000110.4G576 H577S574-G576 PolarHBondContact O-N 2.94Å; S574-H577 PolarHBondContact O-N 2.84Å
575W83.1Confident83.9Confident39 Ų3948.4 Ų48.415%0.14828%0.275CS..THydrogen-bonded Turntrans-60120.2-175.2-149.5-98.3000112.3V532 W533 L550 H577 A599 V805 P806 L807 P808V532-W575 HydrophobicContact CB-CE3 4.23Å; V532-W575 HydrophobicContact CB-CH2 4.22Å; V532-W575 HydrophobicContact CB-CZ3 3.72Å; V532-W575 HydrophobicContact CG1-CE3 4.29Å; V532-W575 HydrophobicContact CG1-CH2 4.32Å; V532-W575 HydrophobicContact CG1-CZ3 3.59Å; V532-W575 HydrophobicContact CG2-CE3 4.41Å; V532-W575 HydrophobicContact CG2-CZ3 4.39Å; W533-W575 AromaticContact CD1-CH2 3.64Å; W533-W575 AromaticContact CD1-CZ2 3.81Å; W533-W575 HydrophobicContact CD2-CH2 4.33Å; W533-W575 AromaticContact CE2-CH2 3.87Å; W533-W575 HydrophobicContact CG-CH2 4.2Å; W533-W575 AromaticContact NE1-CH2 3.4Å; W533-W575 AromaticContact NE1-CZ2 3.55Å; L550-W575 HydrophobicContact CD1-CZ3 4.04Å; L550-W575 HydrophobicContact CD2-CZ3 4.29Å; W575-H577 VanDerWaalsContact C-N 3.34Å; W575-A599 HydrophobicContact CB-CB 4.37Å; W575-A599 WeakPolarHBondContact CB-O 3.09Å; W575-A599 HydrophobicContact CD2-CB 4.32Å; W575-A599 HydrophobicContact CE3-CB 3.91Å; W575-A599 PolarHBondContact N-O 2.65Å; W575-V805 HydrophobicContact CZ2-CG1 4.01Å; W575-V805 PolarHBondContact NE1-O 3.34Å; W575-P806 WeakPolarHBondContact CZ2-O 3.49Å; W575-L807 HydrophobicContact CB-CD2 4.32Å; W575-L807 HydrophobicContact CD2-CD2 3.94Å; W575-L807 HydrophobicContact CG-CD2 3.68Å; W575-P808 HydrophobicContact CH2-CG 4.47Å; W575-P808 HydrophobicContact CZ3-CG 4.16Å
576G74.1Confident83.9Confident25 Ų2548.4 Ų48.426%0.25828%0.278SS..THydrogen-bonded Turntrans87.2-9.4-178.400000115.3N509 S574N509-G576 WeakPolarHBondContact CB-O 3.48Å; S574-G576 PolarHBondContact O-N 2.94Å
577H79.6Confident84.1Confident106 Ų10645 Ų4549%0.49125%0.254SS..SBendtrans-107.7166.7-178.6-62.7-56.3000112.6N509 S574 W575N509-H577 PolarHBondContact ND2-O 3.2Å; S574-H577 PolarHBondContact O-N 2.84Å; W575-H577 VanDerWaalsContact C-N 3.34Å
578D77.7Confident84.3Confident93 Ų9346.2 Ų46.250%0.49726%0.262SS..  trans-76.6156.5177.6-61.3-48000112.1
579P84.8Confident84.4Confident49 Ų4947 Ų4732%0.31827%0.271SS..  trans-79.8132.6-175.132.3-35.5000112.6L571 I572 T573L571-P579 HydrophobicContact CD1-CB 4.01Å; L571-P579 HydrophobicContact CD2-CB 4.13Å; L571-P579 HydrophobicContact CG-CB 4.01Å; I572-P579 CarbonylContact O-C 3.52Å; I572-P579 VanDerWaalsContact O-CA 3.31Å; I572-P579 WeakPolarHBondContact O-CA 3.2Å; T573-P579 HydrophobicContact CG2-CB 4.34Å
580G85.4Confident84.4Confident18 Ų1847.1 Ų47.119%0.18628%0.276CS..EExtended strand (participates in β ladder)trans-114.7141176.700000112.9I572I572-G580 PolarHBondContact N-O 2.96Å; I572-G580 PolarHBondContact O-N 2.95Å
581V86.1Confident84.4Confident30 Ų3047.1 Ų47.118%0.18228%0.276CS..EExtended strand (participates in β ladder)trans-91.5119.7177.1-179.50000110.2R569 L571R569-V581 HydrophobicContact CB-CG1 3.95Å; R569-V581 HydrophobicContact CG-CG1 4.33Å; L571-V581 HydrophobicContact CD1-CG2 3.59Å
582V85.3Confident84.5Confident17 Ų1748.2 Ų48.210%0.10328%0.282CS..EExtended strand (participates in β ladder)trans-122.9136.2-173.2175.40000111.1L570 I572 V587 M590L570-V582 PolarHBondContact N-O 3.08Å; L570-V582 PolarHBondContact O-N 2.93Å; I572-V582 HydrophobicContact CD1-CB 3.8Å; I572-V582 HydrophobicContact CD1-CG1 4.15Å; I572-V582 HydrophobicContact CD1-CG2 3.62Å; I572-V582 HydrophobicContact CG1-CB 4.25Å; I572-V582 HydrophobicContact CG1-CG2 4.13Å; V582-V587 HydrophobicContact CG1-CB 4.27Å; V582-V587 HydrophobicContact CG1-CG2 3.97Å; V582-M590 HydrophobicContact CB-CE 4.26Å; V582-M590 HydrophobicContact CG1-CE 3.44Å; V582-M590 VanDerWaalsContact CG1-CE 3.44Å; V582-M590 HydrophobicContact CG2-CE 3.72Å
583P85.8Confident84.4Confident56 Ų5652.2 Ų52.236%0.36430%0.304SS..EExtended strand (participates in β ladder)trans-69.6138.2174.129.1-35.2000111.7S585 N586P583-S585 PolarHBondContact O-N 3.37Å; P583-N586 PolarHBondContact O-N 2.93Å
584T84.3Confident84.3Confident37 Ų3753.3 Ų53.323%0.22731%0.313CS..THydrogen-bonded Turntrans-59.4-22.8-174.6-66.70000114L560 Y567 D568 N586 V587L560-T584 HydrophobicContact CD2-CG2 3.61Å; Y567-T584 WeakPolarHBondContact O-CB 3.38Å; Y567-T584 PolarHBondContact O-OG1 3.4Å; D568-T584 PolarHBondContact O-N 3.19Å; D568-T584 PolarHBondContact O-OG1 3.07Å; T584-N586 PolarHBondContact O-N 2.96Å; T584-V587 WeakPolarHBondContact O-CG1 3.39Å
585S82.1Confident84.3Confident98 Ų9852.1 Ų52.169%0.68530%0.304SS*.THydrogen-bonded Turntrans-58.7-44.2177.450.30000114.3P583P583-S585 PolarHBondContact O-N 3.37Å
586N80.6Confident84.4Confident108 Ų10854 Ų5458%0.57832%0.32SS*.THydrogen-bonded Turntrans-102.1-6.4-173.3-68.5-6.4000113.2P583 T584 L588 T589P583-N586 PolarHBondContact O-N 2.93Å; T584-N586 PolarHBondContact O-N 2.96Å; N586-L588 VanDerWaalsContact C-N 3.32Å; N586-L588 PolarHBondContact O-N 3.1Å; N586-T589 PolarHBondContact O-N 3.41Å
587V85Confident85Confident1 Ų159.3 Ų59.31%0.00634%0.338CS..Hα-helixtrans-59.8-36.4-164.583.40000114L560 L570 I572 V582 T584 T589 M590 L591L560-V587 HydrophobicContact CD1-CG1 4.04Å; L560-V587 HydrophobicContact CD2-CG1 4.25Å; L570-V587 HydrophobicContact CD1-CG1 4.29Å; L570-V587 HydrophobicContact CD1-CG2 4.2Å; I572-V587 HydrophobicContact CD1-CG2 3.77Å; V582-V587 HydrophobicContact CG1-CB 4.27Å; V582-V587 HydrophobicContact CG1-CG2 3.97Å; T584-V587 WeakPolarHBondContact O-CG1 3.39Å; V587-T589 VanDerWaalsContact C-N 3.33Å; V587-T589 PolarHBondContact O-N 3.35Å; V587-M590 PolarHBondContact O-N 3.23Å; V587-L591 HydrophobicContact CB-CD1 4.49Å; V587-L591 HydrophobicContact CG1-CD1 4.28Å; V587-L591 HydrophobicContact CG2-CD1 3.76Å; V587-L591 HydrophobicContact CG2-CG 4.06Å; V587-L591 WeakPolarHBondContact O-CB 3.43Å; V587-L591 VanDerWaalsContact O-CG 3.25Å; V587-L591 WeakPolarHBondContact O-CG 3.41Å; V587-L591 PolarHBondContact O-N 3.3Å
588L86.8Confident85.3Confident55 Ų5555.1 Ų55.129%0.28832%0.321SS..Hα-helixtrans-66.6-32-171.3-173.464.6000113.1L557 N586 N592L557-L588 HydrophobicContact CB-CD1 3.57Å; L557-L588 HydrophobicContact CD1-CD1 4.4Å; N586-L588 VanDerWaalsContact C-N 3.32Å; N586-L588 PolarHBondContact O-N 3.1Å; L588-N592 PolarHBondContact O-N 3.33Å; L588-N592 PolarHBondContact O-ND2 3.25Å
589T86.3Confident85.8Confident112 Ų11250.8 Ų50.869%0.68730%0.298SS*.Hα-helixtrans-73.3-50.1178.2-540000110.2N586 V587 L591 N592 D593N586-T589 PolarHBondContact O-N 3.41Å; V587-T589 VanDerWaalsContact C-N 3.33Å; V587-T589 PolarHBondContact O-N 3.35Å; T589-L591 PolarHBondContact O-N 3.44Å; T589-N592 PolarHBondContact O-N 3.47Å; T589-D593 PolarHBondContact O-N 3.37Å; T589-D593 VanDerWaalsContact O-N 3.11Å
590M85.9Confident86Confident87 Ų8748.4 Ų48.443%0.42928%0.282SS..Hα-helixtrans-63.9-38.5-179.2-59.8-152.1-61.600112.5V582 V587 D593 A594V582-M590 HydrophobicContact CB-CE 4.26Å; V582-M590 HydrophobicContact CG1-CE 3.44Å; V582-M590 VanDerWaalsContact CG1-CE 3.44Å; V582-M590 HydrophobicContact CG2-CE 3.72Å; V587-M590 PolarHBondContact O-N 3.23Å; M590-D593 PolarHBondContact O-N 3.16Å; M590-A594 WeakPolarHBondContact O-CB 3.37Å; M590-A594 PolarHBondContact O-N 3.26Å
591L87.7Confident86.2Confident0 Ų047.6 Ų47.60%027%0.274CS..Hα-helixtrans-61.9-44.9174.9-73171.6000112.4L557 I572 V587 T589 D593 L595 V600 I602L557-L591 HydrophobicContact CD1-CB 4.45Å; L557-L591 HydrophobicContact CD1-CD1 4.07Å; I572-L591 HydrophobicContact CD1-CD2 3.93Å; I572-L591 HydrophobicContact CD1-CG 4.33Å; I572-L591 HydrophobicContact CG1-CD2 4.37Å; I572-L591 HydrophobicContact CG2-CD2 3.99Å; V587-L591 HydrophobicContact CB-CD1 4.49Å; V587-L591 HydrophobicContact CG1-CD1 4.28Å; V587-L591 HydrophobicContact CG2-CD1 3.76Å; V587-L591 HydrophobicContact CG2-CG 4.06Å; V587-L591 WeakPolarHBondContact O-CB 3.43Å; V587-L591 VanDerWaalsContact O-CG 3.25Å; V587-L591 WeakPolarHBondContact O-CG 3.41Å; V587-L591 PolarHBondContact O-N 3.3Å; T589-L591 PolarHBondContact O-N 3.44Å; L591-D593 VanDerWaalsContact C-N 3.28Å; L591-D593 PolarHBondContact O-N 3.5Å; L591-L595 VanDerWaalsContact O-CB 3.26Å; L591-L595 WeakPolarHBondContact O-CB 3.48Å; L591-L595 WeakPolarHBondContact O-CD1 3.48Å; L591-L595 WeakPolarHBondContact O-CG 3.46Å; L591-L595 PolarHBondContact O-N 2.64Å; L591-V600 HydrophobicContact CD2-CG1 3.82Å; L591-I602 HydrophobicContact CD1-CD1 3.6Å; L591-I602 HydrophobicContact CD1-CG1 4.22Å; L591-I602 HydrophobicContact CD2-CD1 3.82Å; L591-I602 HydrophobicContact CD2-CG1 3.7Å; L591-I602 HydrophobicContact CG-CD1 4.33Å
592N88.9Confident86.5Confident36 Ų3646.1 Ų46.119%0.19327%0.265CS..Hα-helixtrans-66.4-31179.4-83.4-63.8000112.5R556 L557 L588 T589 T596R556-N592 WeakPolarHBondContact CA-OD1 3.2Å; R556-N592 WeakPolarHBondContact CG-OD1 3.47Å; L557-N592 PolarHBondContact N-OD1 3.03Å; L557-N592 PolarHBondContact O-ND2 3.47Å; L557-N592 PolarHBondContact O-OD1 3.34Å; L588-N592 PolarHBondContact O-N 3.33Å; L588-N592 PolarHBondContact O-ND2 3.25Å; T589-N592 PolarHBondContact O-N 3.47Å; N592-T596 WeakPolarHBondContact O-CG2 3.41Å
593D88.3Confident86.7Confident103 Ų10345.4 Ų45.455%0.55126%0.26SS*.Hα-helixtrans-73.8-51.7176.3-164.756.2000111.5T589 M590 L591 L595 T596T589-D593 PolarHBondContact O-N 3.37Å; T589-D593 VanDerWaalsContact O-N 3.11Å; M590-D593 PolarHBondContact O-N 3.16Å; L591-D593 VanDerWaalsContact C-N 3.28Å; L591-D593 PolarHBondContact O-N 3.5Å; D593-L595 PolarHBondContact O-N 3.19Å; D593-T596 WeakPolarHBondContact O-CB 3.44Å; D593-T596 PolarHBondContact O-N 3.46Å; D593-T596 PolarHBondContact O-OG1 3.24Å
594A85.9Confident86.7Confident24 Ų2442.7 Ų42.720%0.19824%0.243CC..Hα-helixtrans-57.8-35176.700000113.1M590 T596 H597 S598 V600M590-A594 WeakPolarHBondContact O-CB 3.37Å; M590-A594 PolarHBondContact O-N 3.26Å; A594-T596 VanDerWaalsContact C-N 3.27Å; A594-T596 PolarHBondContact O-N 3.01Å; A594-H597 PolarHBondContact O-N 2.7Å; A594-H597 VanDerWaalsContact O-N 3.15Å; A594-S598 PolarHBondContact O-N 3.33Å; A594-S598 PolarHBondContact O-OG 3.07Å; A594-V600 HydrophobicContact CB-CG2 3.97Å
595L87.2Confident86.7Confident1 Ų141.5 Ų41.51%0.00524%0.235CC..Hα-helixtrans-70.9-13.9176-75.4166.3000114.2L551 G554 T555 L591 D593 H597 S598 V600L551-L595 HydrophobicContact CB-CD1 4.22Å; L551-L595 HydrophobicContact CB-CD2 3.73Å; L551-L595 HydrophobicContact CD1-CD1 3.83Å; G554-L595 PolarHBondContact N-O 3.19Å; T555-L595 WeakPolarHBondContact O-CB 3.14Å; T555-L595 WeakPolarHBondContact O-CD1 3.39Å; L591-L595 VanDerWaalsContact O-CB 3.26Å; L591-L595 WeakPolarHBondContact O-CB 3.48Å; L591-L595 WeakPolarHBondContact O-CD1 3.48Å; L591-L595 WeakPolarHBondContact O-CG 3.46Å; L591-L595 PolarHBondContact O-N 2.64Å; D593-L595 PolarHBondContact O-N 3.19Å; L595-H597 VanDerWaalsContact C-N 3.32Å; L595-S598 WeakPolarHBondContact CA-O 3.28Å; L595-V600 HydrophobicContact CD2-CB 3.94Å; L595-V600 HydrophobicContact CD2-CG2 3.79Å; L595-V600 HydrophobicContact CG-CB 4.32Å; L595-V600 HydrophobicContact CG-CG2 3.95Å
596T85.8Confident86.7Confident78 Ų7836.9 Ų36.948%0.47920%0.203SC..Hα-helixtrans-72-30.8168.7720000111.7K553 N592 D593 A594K553-T596 WeakPolarHBondContact CE-O 3.05Å; N592-T596 WeakPolarHBondContact O-CG2 3.41Å; D593-T596 WeakPolarHBondContact O-CB 3.44Å; D593-T596 PolarHBondContact O-N 3.46Å; D593-T596 PolarHBondContact O-OG1 3.24Å; A594-T596 VanDerWaalsContact C-N 3.27Å; A594-T596 PolarHBondContact O-N 3.01Å
597H84.9Confident86.4Confident136 Ų13633.9 Ų33.963%0.6319%0.186SC*.Hα-helixtrans-101.4-35.4-173.7-66.8-65.6000113.5K553 A594 L595K553-H597 WeakPolarHBondContact CD-O 3.12Å; K553-H597 WeakPolarHBondContact CE-O 3.4Å; K553-H597 PolarHBondContact NZ-O 3.03Å; A594-H597 PolarHBondContact O-N 2.7Å; A594-H597 VanDerWaalsContact O-N 3.15Å; L595-H597 VanDerWaalsContact C-N 3.32Å
598S86.4Confident85.5Confident19 Ų1940.4 Ų40.413%0.13322%0.216CC..SBendtrans-140174.8-170.169.10000112.9K553 A594 L595K553-S598 WeakPolarHBondContact CA-O 3.37Å; K553-S598 WeakPolarHBondContact CB-O 3.29Å; A594-S598 PolarHBondContact O-N 3.33Å; A594-S598 PolarHBondContact O-OG 3.07Å; L595-S598 WeakPolarHBondContact CA-O 3.28Å
599A87.9Confident84.6Confident1 Ų139 Ų391%0.00822%0.215CC..  trans-88.8150.5160.800000109.3L551 W575 L807 P808L551-A599 WeakPolarHBondContact O-CA 3.19Å; L551-A599 WeakPolarHBondContact O-CB 3.3Å; W575-A599 HydrophobicContact CB-CB 4.37Å; W575-A599 WeakPolarHBondContact CB-O 3.09Å; W575-A599 HydrophobicContact CD2-CB 4.32Å; W575-A599 HydrophobicContact CE3-CB 3.91Å; W575-A599 PolarHBondContact N-O 2.65Å; A599-L807 HydrophobicContact CB-CD2 4.01Å; A599-P808 HydrophobicContact CB-CG 3.66Å
600V89.9Confident83.9Confident0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-136.6128.5-170.7-176.20000111.6L551 I572 L591 A594 L595 I602L551-V600 PolarHBondContact N-O 3Å; L551-V600 PolarHBondContact O-N 2.92Å; I572-V600 HydrophobicContact CG2-CG1 3.43Å; I572-V600 VanDerWaalsContact CG2-CG1 3.43Å; L591-V600 HydrophobicContact CD2-CG1 3.82Å; A594-V600 HydrophobicContact CB-CG2 3.97Å; L595-V600 HydrophobicContact CD2-CB 3.94Å; L595-V600 HydrophobicContact CD2-CG2 3.79Å; L595-V600 HydrophobicContact CG-CB 4.32Å; L595-V600 HydrophobicContact CG-CG2 3.95Å; V600-I602 HydrophobicContact CG1-CG1 4.46Å
601L90.3Very high83.4Confident0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-89.8135.9165.8-175.370.6000109.9V532 K535 L536 L550 I572 T573 Q603V532-L601 HydrophobicContact CG1-CB 3.97Å; V532-L601 HydrophobicContact CG1-CD2 4.18Å; V532-L601 HydrophobicContact CG1-CG 4.45Å; K535-L601 HydrophobicContact CD-CD2 4.39Å; L536-L601 HydrophobicContact CD2-CD1 4.13Å; L550-L601 HydrophobicContact CB-CD1 3.94Å; L550-L601 HydrophobicContact CD1-CB 4.27Å; I572-L601 WeakPolarHBondContact CA-O 3.45Å; T573-L601 PolarHBondContact N-O 3.38Å; T573-L601 PolarHBondContact O-N 2.77Å; L601-Q603 HydrophobicContact CD2-CG 3.77Å; L601-Q603 HydrophobicContact CG-CG 3.81Å
602I90.9Very high83.2Confident0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-120.2130.9173.9-50.3166.3000107.6S548 L549 L551 L557 F564 L570 L571 L591 V600S548-I602 CarbonylContact C-O 3.59Å; S548-I602 VanDerWaalsContact CA-O 3.29Å; S548-I602 WeakPolarHBondContact CA-O 3.45Å; L549-I602 HydrophobicContact CD2-CD1 4.37Å; L549-I602 PolarHBondContact N-O 2.85Å; L549-I602 PolarHBondContact O-N 3.17Å; L551-I602 HydrophobicContact CD1-CD1 3.82Å; L557-I602 HydrophobicContact CD1-CD1 4.29Å; F564-I602 HydrophobicContact CD2-CG2 4.35Å; F564-I602 HydrophobicContact CE1-CG2 4.12Å; F564-I602 HydrophobicContact CE2-CB 4.19Å; F564-I602 HydrophobicContact CE2-CG2 3.8Å; F564-I602 HydrophobicContact CZ-CB 3.97Å; F564-I602 HydrophobicContact CZ-CG2 3.67Å; L570-I602 HydrophobicContact CB-CG2 4.43Å; L570-I602 HydrophobicContact CD1-CG2 4.11Å; L571-I602 CarbonylContact O-C 3.51Å; L571-I602 WeakPolarHBondContact O-CA 3.42Å; L591-I602 HydrophobicContact CD1-CD1 3.6Å; L591-I602 HydrophobicContact CD1-CG1 4.22Å; L591-I602 HydrophobicContact CD2-CD1 3.82Å; L591-I602 HydrophobicContact CD2-CG1 3.7Å; L591-I602 HydrophobicContact CG-CD1 4.33Å; V600-I602 HydrophobicContact CG1-CG1 4.46Å
603Q90.1Very high83Confident1 Ų136 Ų361%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-133.9143.9179.4-40.9-167-103.600111.8Y539 P546 P547 S548 L570 L571 L601 H605Y539-Q603 VanDerWaalsContact CE2-NE2 3.34Å; Y539-Q603 PolarHBondContact OH-NE2 3.41Å; P546-Q603 HydrophobicContact CG-CB 4.44Å; P547-Q603 WeakPolarHBondContact O-CA 3.42Å; S548-Q603 PolarHBondContact OG-NE2 3.24Å; L570-Q603 CarbonylContact C-O 3.57Å; L570-Q603 WeakPolarHBondContact CA-O 3.03Å; L571-Q603 HydrophobicContact CB-CB 4.23Å; L571-Q603 PolarHBondContact N-O 2.89Å; L571-Q603 PolarHBondContact O-N 3.29Å; L601-Q603 HydrophobicContact CD2-CG 3.77Å; L601-Q603 HydrophobicContact CG-CG 3.81Å; Q603-H605 PolarHBondContact O-N 2.93Å
604G86.6Confident82.9Confident0 Ų032.6 Ų32.60%018%0.18CC..EExtended strand (participates in β ladder)trans-69.8116.717100000111P546 P547 Y567P546-G604 WeakPolarHBondContact CB-O 3.16Å; P547-G604 PolarHBondContact O-N 2.77Å; Y567-G604 VanDerWaalsContact CE1-C 3.46Å; Y567-G604 VanDerWaalsContact CE1-CA 3.48Å
605H83.4Confident83Confident12 Ų1233.3 Ų33.36%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-103.7-54.2-175175.562.6000113.1R569 L571 Q603 I610 G611 A661R569-H605 PolarHBondContact O-N 3.24Å; L571-H605 HydrophobicContact CB-CB 4.23Å; Q603-H605 PolarHBondContact O-N 2.93Å; H605-I610 WeakPolarHBondContact NE2-CG2 3.44Å; H605-G611 PolarHBondContact NE2-N 3.36Å; H605-A661 WeakPolarHBondContact O-CA 3.29Å; H605-A661 VanDerWaalsContact O-CB 3.31Å; H605-A661 WeakPolarHBondContact O-CB 3.22Å
606G81.9Confident83Confident1 Ų133.9 Ų33.91%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-138.3134.3-179.700000112.6D568 R569D568-G606 PolarHBondContact N-O 3.17Å; D568-G606 VanDerWaalsContact N-O 3.14Å; R569-G606 PolarHBondContact N-O 2.67Å; R569-G606 PolarHBondContact O-N 3.35Å
607L74.9Confident83.2Confident45 Ų4530.8 Ų30.824%0.23616%0.164CC..SBendtrans-78.6-37.5179.1-64.1172.2000112.2S566 Y567 A661S566-L607 WeakPolarHBondContact O-CD2 3.33Å; Y567-L607 HydrophobicContact CD1-CD2 3.78Å; Y567-L607 HydrophobicContact CD1-CG 4.36Å; Y567-L607 HydrophobicContact CD2-CD2 4.02Å; Y567-L607 HydrophobicContact CE1-CD2 3.62Å; Y567-L607 HydrophobicContact CE1-CG 4.13Å; Y567-L607 HydrophobicContact CE2-CD2 3.87Å; Y567-L607 HydrophobicContact CG-CD2 3.98Å; L607-A661 WeakPolarHBondContact CB-O 3.42Å; L607-A661 HydrophobicContact CG-CB 4.32Å; L607-A661 WeakPolarHBondContact CG-O 3.5Å; L607-A661 PolarHBondContact N-O 3.21Å
608H65.1Low83.3Confident138 Ų13824.3 Ų24.364%0.63913%0.134SC*.SBendtrans-136.640.1-176-60.1102.3000112.2
609G68.4Low83.2Confident25 Ų2523.4 Ų23.426%0.25813%0.128SC..SBendtrans145.6-147.7-175.600000113.6R569R569-G609 WeakPolarHBondContact CD-O 3.33Å
610I71.2Confident83Confident66 Ų6623.6 Ų23.634%0.33813%0.128SC..SBendtrans-82.7137.5167.3-62.4174.7000107.4H605H605-I610 WeakPolarHBondContact NE2-CG2 3.44Å
611G75.7Confident82.4Confident4 Ų425.9 Ų25.94%0.04114%0.141CC..PPolyproline II helixtrans-78.9142178.600000111.4H605 T613H605-G611 PolarHBondContact NE2-N 3.36Å; G611-T613 PolarHBondContact O-N 3.34Å
612E83.4Confident81.5Confident48 Ų4833 Ų3322%0.22417%0.174CC..EExtended strand (participates in β ladder)trans-74.2126.2180-177.4-170.3163.500110.2H631 L659 N660 S663 W720E612-H631 IonicContact OE1-CD2 3.87Å; E612-H631 IonicContact OE1-CE1 3.4Å; E612-H631 IonicContact OE1-NE2 3.19Å; E612-H631 PolarHBondContact OE1-NE2 3.24Å; E612-L659 WeakPolarHBondContact O-CA 3.32Å; E612-N660 HydrophobicContact CB-CB 4.33Å; E612-N660 PolarHBondContact N-O 2.95Å; E612-N660 PolarHBondContact O-N 2.74Å; E612-S663 VanDerWaalsContact OE2-CB 3.26Å; E612-S663 WeakPolarHBondContact OE2-CB 3.2Å; E612-S663 PolarHBondContact OE2-OG 3.16Å; E612-W720 HydrophobicContact CB-CH2 4.42Å; E612-W720 HydrophobicContact CG-CH2 3.87Å; E612-W720 WeakPolarHBondContact OE1-CH2 3.28Å
613T84.9Confident80.3Confident54 Ų5438.2 Ų38.233%0.33121%0.206SC..EExtended strand (participates in β ladder)trans-116.1135.2178.6500000112.1G611 T657 M658 L659G611-T613 PolarHBondContact O-N 3.34Å; T613-T657 HydrophobicContact CG2-CG2 4.21Å; T613-M658 CarbonylContact C-O 3.58Å; T613-M658 VanDerWaalsContact CA-O 3.29Å; T613-M658 WeakPolarHBondContact CA-O 3.44Å; T613-L659 HydrophobicContact CG2-CD1 3.76Å
614V86.3Confident79.3Confident32 Ų3240.4 Ų40.419%0.19422%0.216CC..EExtended strand (participates in β ladder)trans-128.2129.6179.1173.20000109.9V616 M658 W720V614-V616 HydrophobicContact CG1-CG2 4.4Å; V614-M658 PolarHBondContact N-O 3.3Å; V614-M658 PolarHBondContact O-N 2.7Å; V614-W720 HydrophobicContact CB-CH2 4.32Å; V614-W720 HydrophobicContact CB-CZ3 4.05Å; V614-W720 HydrophobicContact CG2-CH2 3.56Å; V614-W720 HydrophobicContact CG2-CZ3 3.78Å
615H88.6Confident78.2Confident38 Ų3842.3 Ų42.318%0.17623%0.226CC..EExtended strand (participates in β ladder)trans-94.2119.9178.3-57.3-62.4000111.5Y655 V656 T657 E701 F732 L736H615-Y655 HydrophobicContact CB-CD2 4.17Å; H615-Y655 AromaticContact ND1-CD2 3.66Å; H615-Y655 AromaticContact ND1-CE2 3.7Å; H615-V656 WeakPolarHBondContact CA-O 3.4Å; H615-T657 PolarHBondContact CE1-OG1 3.19Å; H615-T657 PolarHBondContact ND1-OG1 3.41Å; H615-E701 IonicContact CD2-OE1 3.76Å; H615-E701 PolarHBondContact CD2-OE1 3.23Å; H615-E701 IonicContact NE2-OE1 3.08Å; H615-F732 AromaticContact CD2-CE2 3.97Å; H615-F732 AromaticContact NE2-CE2 3.92Å; H615-L736 HydrophobicContact CB-CD1 3.86Å; H615-L736 HydrophobicContact CB-CD2 3.68Å; H615-L736 HydrophobicContact CB-CG 4.4Å
616V86.5Confident77Confident14 Ų1449.1 Ų49.19%0.08526%0.258CS..EExtended strand (participates in β ladder)trans-108.6111.1-175.6-168.80000109.8V614 F620 M634 L640 Y655 V656 M658V614-V616 HydrophobicContact CG1-CG2 4.4Å; V616-F620 HydrophobicContact CG1-CE1 3.89Å; V616-M634 HydrophobicContact CG1-CB 4.07Å; V616-M634 HydrophobicContact CG2-CB 3.65Å; V616-M634 HydrophobicContact CG2-CG 3.91Å; V616-L640 HydrophobicContact CG1-CD1 4.15Å; V616-Y655 CarbonylContact O-C 3.6Å; V616-Y655 WeakPolarHBondContact O-CA 3.49Å; V616-V656 PolarHBondContact N-O 3.19Å; V616-V656 PolarHBondContact O-N 3.4Å; V616-M658 HydrophobicContact CG2-CG 3.87Å
617P88.8Confident76.1Confident12 Ų1250.8 Ų50.88%0.07828%0.275CS..EExtended strand (participates in β ladder)trans-82.2136.8-174.930.7-33.1000112.9G654 L736 K739 V740 K743P617-G654 WeakPolarHBondContact CA-O 3.46Å; P617-L736 HydrophobicContact CB-CD1 3.97Å; P617-L736 HydrophobicContact CG-CD1 4.16Å; P617-K739 HydrophobicContact CB-CB 4.15Å; P617-K739 HydrophobicContact CG-CB 3.71Å; P617-K739 HydrophobicContact CG-CD 3.97Å; P617-K739 HydrophobicContact CG-CG 4.42Å; P617-V740 HydrophobicContact CB-CG2 3.65Å; P617-K743 HydrophobicContact CB-CD 4.39Å; P617-K743 PolarHBondContact O-NZ 3.37Å
618F87.7Confident75.4Confident0 Ų056.7 Ų56.70%030%0.301CS..EExtended strand (participates in β ladder)trans-120.7155.5177.866.8-92.7000111.8F620 L649 L652 C653 G654 V656 L725 F727F618-F620 HydrophobicContact CB-CD2 4.47Å; F618-F620 HydrophobicContact CB-CE2 4.18Å; F618-F620 HydrophobicContact CB-CZ 4.2Å; F618-L649 HydrophobicContact CB-CB 4.37Å; F618-L649 HydrophobicContact CD2-CB 3.87Å; F618-L649 HydrophobicContact CD2-CD2 3.9Å; F618-L649 HydrophobicContact CD2-CG 4.37Å; F618-L649 HydrophobicContact CE1-CD2 4.33Å; F618-L649 HydrophobicContact CE2-CB 4.46Å; F618-L649 HydrophobicContact CE2-CD2 3.68Å; F618-L649 HydrophobicContact CG-CB 4.21Å; F618-L649 HydrophobicContact CG-CD1 4.49Å; F618-L649 HydrophobicContact CG-CD2 4.33Å; F618-L649 HydrophobicContact CZ-CD2 3.92Å; F618-L652 WeakPolarHBondContact CD2-O 3.38Å; F618-L652 HydrophobicContact CE2-CB 4.04Å; F618-C653 WeakPolarHBondContact O-CA 3.35Å; F618-G654 VanDerWaalsContact CD1-C 3.48Å; F618-G654 WeakPolarHBondContact CD1-O 3.47Å; F618-G654 PolarHBondContact N-O 3.45Å; F618-G654 PolarHBondContact O-N 2.97Å; F618-V656 HydrophobicContact CD1-CG2 3.89Å; F618-V656 HydrophobicContact CE1-CG2 4.27Å; F618-L725 HydrophobicContact CD1-CD1 4.19Å; F618-L725 HydrophobicContact CE1-CD1 3.39Å; F618-L725 HydrophobicContact CZ-CD1 3.83Å; F618-F727 AromaticContact CE2-CD1 3.96Å; F618-F727 HydrophobicContact CE2-CD1 3.96Å; F618-F727 AromaticContact CE2-CE1 3.93Å; F618-F727 HydrophobicContact CE2-CE1 3.93Å; F618-F727 AromaticContact CZ-CD1 3.61Å; F618-F727 HydrophobicContact CZ-CD1 3.61Å; F618-F727 AromaticContact CZ-CE1 3.67Å; F618-F727 HydrophobicContact CZ-CE1 3.67Å
619P84.4Confident75.6Confident1 Ų152.7 Ų52.71%0.00628%0.282CS..SBendcis-62.5159.48.1-25.434.3000117L649 Q650 L652 K743 H747 L749P619-L649 WeakPolarHBondContact CA-O 3.42Å; P619-Q650 WeakPolarHBondContact CG-O 2.93Å; P619-L652 WeakPolarHBondContact CD-O 3.44Å; P619-L652 WeakPolarHBondContact CG-O 3.49Å; P619-K743 VanDerWaalsContact O-CD 3.26Å; P619-K743 WeakPolarHBondContact O-CD 3.49Å; P619-K743 WeakPolarHBondContact O-CE 3.48Å; P619-K743 PolarHBondContact O-NZ 3.5Å; P619-H747 HydrophobicContact CG-CB 4.32Å; P619-L749 HydrophobicContact CG-CD1 3.85Å; P619-L749 HydrophobicContact CG-CD2 4.03Å; P619-L749 HydrophobicContact CG-CG 4.38Å
620F83.6Confident75.5Confident4 Ų454.7 Ų54.72%0.01829%0.289CS..PPolyproline II helixtrans-88.8133.8176.4-58.7-71.8000111.7V616 F618 E624 L625 L640 R644 L649 H747V616-F620 HydrophobicContact CG1-CE1 3.89Å; F618-F620 HydrophobicContact CB-CD2 4.47Å; F618-F620 HydrophobicContact CB-CE2 4.18Å; F618-F620 HydrophobicContact CB-CZ 4.2Å; F620-E624 VanDerWaalsContact CA-OE2 3.25Å; F620-E624 WeakPolarHBondContact CA-OE2 3.3Å; F620-L625 HydrophobicContact CB-CD1 4.02Å; F620-L625 HydrophobicContact CB-CD2 4.02Å; F620-L625 HydrophobicContact CB-CG 3.96Å; F620-L640 HydrophobicContact CE1-CD1 4.2Å; F620-L640 HydrophobicContact CE2-CB 4.41Å; F620-L640 HydrophobicContact CZ-CB 4.04Å; F620-L640 HydrophobicContact CZ-CD1 3.99Å; F620-L640 HydrophobicContact CZ-CG 4.45Å; F620-R644 HydrophobicContact CD2-CG 4.43Å; F620-L649 HydrophobicContact CE2-CB 4.44Å; F620-L649 HydrophobicContact CE2-CD1 3.93Å; F620-H747 PolarHBondContact O-CE1 2.94Å
621D78.3Confident75.1Confident48 Ų4855.9 Ų55.926%0.25729%0.294SS..PPolyproline II helixtrans-78.6151.8175.9-64.2-38.1000110.9T623 E624 L625 H747D621-T623 PolarHBondContact O-N 3.04Å; D621-T623 VanDerWaalsContact O-N 3.12Å; D621-E624 HydrophobicContact CB-CG 4.18Å; D621-E624 PolarHBondContact N-OE2 3.35Å; D621-E624 PolarHBondContact O-N 2.82Å; D621-E624 VanDerWaalsContact O-N 3.09Å; D621-L625 WeakPolarHBondContact O-CD1 3.46Å; D621-L625 WeakPolarHBondContact O-CG 3.42Å; D621-L625 PolarHBondContact O-N 2.66Å; D621-H747 IonicContact OD1-CD2 3.96Å; D621-H747 IonicContact OD1-CE1 2.68Å; D621-H747 IonicContact OD1-NE2 3.7Å; D621-H747 PolarHBondContact OD1-NE2 3.06Å
622E70.2Confident74.5Confident149 Ų14962.4 Ų62.470%0.69633%0.332SS*.THydrogen-bonded Turntrans-59.9-27-178.9-62.8-165.2149.500113.3Q626E622-Q626 VanDerWaalsContact O-CG 3.29Å; E622-Q626 WeakPolarHBondContact O-CG 3.05Å; E622-Q626 PolarHBondContact O-N 2.88Å
623T65.6Low73.7Confident111 Ų11161.3 Ų61.368%0.68133%0.328SS*.THydrogen-bonded Turntrans-71.7-41.417545.50000113D621 L625 Q626 G627D621-T623 PolarHBondContact O-N 3.04Å; D621-T623 VanDerWaalsContact O-N 3.12Å; T623-L625 PolarHBondContact O-N 2.71Å; T623-Q626 PolarHBondContact O-N 2.83Å; T623-G627 PolarHBondContact O-N 3.29Å
624E69.8Low73.3Confident47 Ų4758.9 Ų58.922%0.2231%0.313CS..THydrogen-bonded Turntrans-61.9-35.8174.7-63173.6147.500110.5F620 D621 N633 V636 K743F620-E624 VanDerWaalsContact CA-OE2 3.25Å; F620-E624 WeakPolarHBondContact CA-OE2 3.3Å; D621-E624 HydrophobicContact CB-CG 4.18Å; D621-E624 PolarHBondContact N-OE2 3.35Å; D621-E624 PolarHBondContact O-N 2.82Å; D621-E624 VanDerWaalsContact O-N 3.09Å; E624-N633 WeakPolarHBondContact CA-OD1 3.33Å; E624-N633 PolarHBondContact O-ND2 2.96Å; E624-N633 PolarHBondContact O-OD1 3.28Å; E624-N633 VanDerWaalsContact O-OD1 3.04Å; E624-V636 VanDerWaalsContact O-CG2 3.24Å; E624-V636 WeakPolarHBondContact O-CG2 3.38Å; E624-K743 WeakPolarHBondContact OE1-CE 3.47Å; E624-K743 IonicContact OE1-NZ 2.77Å; E624-K743 PolarHBondContact OE1-NZ 3Å; E624-K743 IonicContact OE2-NZ 3.97Å; E624-K743 PolarHBondContact OE2-NZ 2.88Å
625L63Low72.2Confident39 Ų3957.5 Ų57.520%0.20431%0.305CS..THydrogen-bonded Turntrans-79.1-15.5-176.9-67161.3000114.8F620 D621 T623 R644F620-L625 HydrophobicContact CB-CD1 4.02Å; F620-L625 HydrophobicContact CB-CD2 4.02Å; F620-L625 HydrophobicContact CB-CG 3.96Å; D621-L625 WeakPolarHBondContact O-CD1 3.46Å; D621-L625 WeakPolarHBondContact O-CG 3.42Å; D621-L625 PolarHBondContact O-N 2.66Å; T623-L625 PolarHBondContact O-N 2.71Å; L625-R644 VanDerWaalsContact CD1-CZ 3.4Å
626Q58.3Low71.5Confident156 Ų15657.1 Ų57.173%0.72931%0.305SS*.THydrogen-bonded Turntrans-110.5-8.1-176.6-69.9178.134.600114.1E622 T623E622-Q626 VanDerWaalsContact O-CG 3.29Å; E622-Q626 WeakPolarHBondContact O-CG 3.05Å; E622-Q626 PolarHBondContact O-N 2.88Å; T623-Q626 PolarHBondContact O-N 2.83Å
627G62.6Low71.3Confident35 Ų3556.5 Ų56.536%0.36130%0.301SS..SBendtrans-76.1178177.700000114.2T623 V636T623-G627 PolarHBondContact O-N 3.29Å; G627-V636 WeakPolarHBondContact O-CG2 3.47Å
628E60.8Low71Confident169 Ų16961.4 Ų61.479%0.7932%0.321SS*.  trans-77.6156.4166.6-64.3-174.2160.100111T630 N633E628-T630 PolarHBondContact O-N 2.88Å; E628-N633 PolarHBondContact O-ND2 2.95Å
629F68.6Low70.7Confident54 Ų5461.4 Ų61.424%0.23732%0.321CS..  trans-68123.1173175.1-95.8000110M634 H637 E717 W720F629-M634 HydrophobicContact CE2-SD 3.68Å; F629-M634 HydrophobicContact CZ-CE 4.43Å; F629-M634 HydrophobicContact CZ-SD 3.99Å; F629-H637 HydrophobicContact CE2-CB 4.35Å; F629-E717 HydrophobicContact CD1-CB 4.26Å; F629-E717 HydrophobicContact CD2-CG 4.26Å; F629-E717 HydrophobicContact CE1-CB 4.25Å; F629-E717 HydrophobicContact CE2-CG 4.29Å; F629-E717 HydrophobicContact CG-CB 4.43Å; F629-E717 HydrophobicContact CZ-CB 4.41Å; F629-W720 AromaticContact CZ-CD1 3.95Å
630T67.8Low70.6Confident67 Ų6761.3 Ų61.341%0.41132%0.321SS..  trans-144.5164174.459.10000109.2E628 V632 N633E628-T630 PolarHBondContact O-N 2.88Å; T630-V632 PolarHBondContact O-N 3.27Å; T630-V632 VanDerWaalsContact O-N 3.13Å; T630-N633 CarbonylContact O-C 3.6Å; T630-N633 PolarHBondContact O-N 2.87Å; T630-N633 WeakPolarHBondContact OG1-CB 3.09Å; T630-N633 PolarHBondContact OG1-N 3.13Å
631H62.5Low70.6Confident92 Ų9265.2 Ų65.243%0.42634%0.339SS..SBendtrans-51.7-35.2175-171.6-96.3000113E612 W720E612-H631 IonicContact OE1-CD2 3.87Å; E612-H631 IonicContact OE1-CE1 3.4Å; E612-H631 IonicContact OE1-NE2 3.19Å; E612-H631 PolarHBondContact OE1-NE2 3.24Å; H631-W720 AromaticContact CD2-CZ2 3.76Å; H631-W720 AromaticContact NE2-CZ2 3.99Å
632V62.5Low70.9Confident141 Ų14165.7 Ų65.786%0.85534%0.341SS*.SBendtrans-81.4-34176.7-174.70000112.3T630T630-V632 PolarHBondContact O-N 3.27Å; T630-V632 VanDerWaalsContact O-N 3.13Å
633N67.4Low71.6Confident25 Ų2558.6 Ų58.613%0.13431%0.308CS..  trans-107.269.7-179.7-168.533.3000112.8E624 E628 T630 G635 V636E624-N633 WeakPolarHBondContact CA-OD1 3.33Å; E624-N633 PolarHBondContact O-ND2 2.96Å; E624-N633 PolarHBondContact O-OD1 3.28Å; E624-N633 VanDerWaalsContact O-OD1 3.04Å; E628-N633 PolarHBondContact O-ND2 2.95Å; T630-N633 CarbonylContact O-C 3.6Å; T630-N633 PolarHBondContact O-N 2.87Å; T630-N633 WeakPolarHBondContact OG1-CB 3.09Å; T630-N633 PolarHBondContact OG1-N 3.13Å; N633-G635 VanDerWaalsContact C-N 3.26Å; N633-G635 PolarHBondContact O-N 3.08Å; N633-V636 VanDerWaalsContact ND2-CG2 3.3Å; N633-V636 WeakPolarHBondContact ND2-CG2 3.38Å
634M75.6Confident72.6Confident3 Ų356.3 Ų56.32%0.01529%0.287CS..G310 helixtrans-67.6-21.3174.6-73.1-70.3177.400113.7V616 F629 V636 H637 L640 W720V616-M634 HydrophobicContact CG1-CB 4.07Å; V616-M634 HydrophobicContact CG2-CB 3.65Å; V616-M634 HydrophobicContact CG2-CG 3.91Å; F629-M634 HydrophobicContact CE2-SD 3.68Å; F629-M634 HydrophobicContact CZ-CE 4.43Å; F629-M634 HydrophobicContact CZ-SD 3.99Å; M634-V636 PolarHBondContact O-N 2.69Å; M634-H637 WeakPolarHBondContact O-CB 3.49Å; M634-H637 PolarHBondContact O-N 3.21Å; M634-L640 HydrophobicContact CB-CD1 4.28Å; M634-L640 WeakPolarHBondContact O-CD1 3.43Å; M634-W720 HydrophobicContact CE-CD2 3.47Å; M634-W720 VanDerWaalsContact CE-CD2 3.47Å; M634-W720 VanDerWaalsContact CE-CE2 3.49Å; M634-W720 HydrophobicContact CE-CE3 3.87Å; M634-W720 HydrophobicContact CE-CG 3.88Å; M634-W720 HydrophobicContact CE-CH2 4.22Å; M634-W720 HydrophobicContact CE-CZ2 3.89Å; M634-W720 HydrophobicContact CE-CZ3 4.23Å; M634-W720 HydrophobicContact SD-CD2 4.44Å; M634-W720 HydrophobicContact SD-CG 4.38Å
635G63.4Low73.2Confident2 Ų259.4 Ų59.42%0.02131%0.305CS..G310 helixtrans-58.8-20.2-170.100000115.8N633 H637N633-G635 VanDerWaalsContact C-N 3.26Å; N633-G635 PolarHBondContact O-N 3.08Å; G635-H637 VanDerWaalsContact C-N 3.34Å
636V75Confident74.2Confident31 Ų3164.8 Ų64.819%0.18832%0.322CS..G310 helixtrans-75.9-21.3176.7-1690000112.3E624 G627 N633 M634 Q641E624-V636 VanDerWaalsContact O-CG2 3.24Å; E624-V636 WeakPolarHBondContact O-CG2 3.38Å; G627-V636 WeakPolarHBondContact O-CG2 3.47Å; N633-V636 VanDerWaalsContact ND2-CG2 3.3Å; N633-V636 WeakPolarHBondContact ND2-CG2 3.38Å; M634-V636 PolarHBondContact O-N 2.69Å; V636-Q641 PolarHBondContact O-NE2 3.09Å
637H80.8Confident75.2Confident1 Ų157.4 Ų57.41%0.00529%0.288CS..SBendtrans-56.3134.2-172.3-175.6-85.3000113.1Q544 F629 M634 G635 A639 L640 Q641 E717 W720Q544-H637 PolarHBondContact OE1-CE1 2.73Å; Q544-H637 VanDerWaalsContact OE1-CE1 3.29Å; F629-H637 HydrophobicContact CE2-CB 4.35Å; M634-H637 WeakPolarHBondContact O-CB 3.49Å; M634-H637 PolarHBondContact O-N 3.21Å; G635-H637 VanDerWaalsContact C-N 3.34Å; H637-A639 VanDerWaalsContact C-N 3.35Å; H637-A639 WeakPolarHBondContact ND1-CB 3.4Å; H637-A639 PolarHBondContact ND1-N 3.16Å; H637-A639 PolarHBondContact O-N 3.07Å; H637-L640 HydrophobicContact CB-CD1 4.48Å; H637-L640 HydrophobicContact CB-CG 4.28Å; H637-L640 PolarHBondContact O-N 2.91Å; H637-Q641 PolarHBondContact O-N 2.92Å; H637-Q641 VanDerWaalsContact O-N 3.11Å; H637-E717 WeakPolarHBondContact CD2-CG 3.26Å; H637-E717 PolarHBondContact NE2-O 3.41Å; H637-E717 VanDerWaalsContact NE2-O 3.13Å; H637-W720 PolarHBondContact NE2-O 2.76Å; H637-W720 VanDerWaalsContact NE2-O 3.09Å
638K82.7Confident76.2Confident114 Ų11456.9 Ų56.950%0.49628%0.277SS..Hα-helixtrans-51.9-44.2-173.5-74.1154.4-170.71400114.3L640 Q641 I642 E717K638-L640 VanDerWaalsContact C-N 3.32Å; K638-L640 PolarHBondContact O-N 3.16Å; K638-Q641 PolarHBondContact O-N 2.85Å; K638-I642 VanDerWaalsContact O-CG1 3.31Å; K638-I642 WeakPolarHBondContact O-CG1 3.49Å; K638-I642 PolarHBondContact O-N 3.23Å; K638-E717 VanDerWaalsContact CD-OE1 3.27Å; K638-E717 WeakPolarHBondContact CD-OE1 3.15Å; K638-E717 VanDerWaalsContact CG-OE1 3.27Å; K638-E717 WeakPolarHBondContact CG-OE1 3.47Å; K638-E717 PolarHBondContact N-OE1 2.66Å; K638-E717 IonicContact NZ-OE1 2.87Å; K638-E717 IonicContact NZ-OE2 2.7Å; K638-E717 PolarHBondContact NZ-OE2 3.36Å
639A81.5Confident77.2Confident0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-58.8-40.7175.400000113T542 Q544 H637 I642 L643 P722T542-A639 HydrophobicContact CG2-CB 3.87Å; Q544-A639 HydrophobicContact CB-CB 4.42Å; H637-A639 VanDerWaalsContact C-N 3.35Å; H637-A639 WeakPolarHBondContact ND1-CB 3.4Å; H637-A639 PolarHBondContact ND1-N 3.16Å; H637-A639 PolarHBondContact O-N 3.07Å; A639-I642 PolarHBondContact O-N 3.18Å; A639-L643 WeakPolarHBondContact O-CB 3.44Å; A639-L643 VanDerWaalsContact O-CG 3.27Å; A639-L643 WeakPolarHBondContact O-CG 3.4Å; A639-L643 PolarHBondContact O-N 2.77Å; A639-P722 HydrophobicContact CB-CG 3.93Å
640L83.1Confident77.9Confident0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-71.1-37.1-178.6-59.5-170000111.3V616 F620 M634 H637 K638 L643 R644 V656 M658V616-L640 HydrophobicContact CG1-CD1 4.15Å; F620-L640 HydrophobicContact CE1-CD1 4.2Å; F620-L640 HydrophobicContact CE2-CB 4.41Å; F620-L640 HydrophobicContact CZ-CB 4.04Å; F620-L640 HydrophobicContact CZ-CD1 3.99Å; F620-L640 HydrophobicContact CZ-CG 4.45Å; M634-L640 HydrophobicContact CB-CD1 4.28Å; M634-L640 WeakPolarHBondContact O-CD1 3.43Å; H637-L640 HydrophobicContact CB-CD1 4.48Å; H637-L640 HydrophobicContact CB-CG 4.28Å; H637-L640 PolarHBondContact O-N 2.91Å; K638-L640 VanDerWaalsContact C-N 3.32Å; K638-L640 PolarHBondContact O-N 3.16Å; L640-L643 HydrophobicContact CD2-CD1 4.23Å; L640-L643 PolarHBondContact O-N 3.09Å; L640-R644 WeakPolarHBondContact O-CB 3.32Å; L640-R644 PolarHBondContact O-N 2.87Å; L640-V656 HydrophobicContact CD2-CB 4.09Å; L640-V656 HydrophobicContact CD2-CG1 3.83Å; L640-V656 HydrophobicContact CD2-CG2 4Å; L640-M658 HydrophobicContact CD2-SD 3.9Å; L640-M658 HydrophobicContact CG-SD 4.34Å
641Q83.9Confident78.6Confident86 Ų8648.8 Ų48.840%0.40224%0.235SC..Hα-helixtrans-62.6-42.2171.2-60.7-16620.800112.2V636 H637 K638 R644 N645V636-Q641 PolarHBondContact O-NE2 3.09Å; H637-Q641 PolarHBondContact O-N 2.92Å; H637-Q641 VanDerWaalsContact O-N 3.11Å; K638-Q641 PolarHBondContact O-N 2.85Å; Q641-R644 PolarHBondContact O-N 2.68Å; Q641-N645 PolarHBondContact O-N 3.36Å; Q641-N645 PolarHBondContact O-ND2 3.49Å
642I84.2Confident79.7Confident58 Ų5844.6 Ų44.630%0.29722%0.216SC..Hα-helixtrans-64.6-46176.6-67.3164.5000110.4I541 K638 A639 N645 R646I541-I642 VanDerWaalsContact O-CG2 3.31Å; I541-I642 WeakPolarHBondContact O-CG2 3.46Å; K638-I642 VanDerWaalsContact O-CG1 3.31Å; K638-I642 WeakPolarHBondContact O-CG1 3.49Å; K638-I642 PolarHBondContact O-N 3.23Å; A639-I642 PolarHBondContact O-N 3.18Å; I642-N645 PolarHBondContact O-N 3.03Å; I642-R646 HydrophobicContact CG2-CG 3.95Å; I642-R646 WeakPolarHBondContact O-CB 3.43Å; I642-R646 VanDerWaalsContact O-CG 3.31Å; I642-R646 WeakPolarHBondContact O-CG 3.36Å; I642-R646 PolarHBondContact O-N 3.25Å
643L85.5Confident80.9Confident0 Ų037.9 Ų37.90%018%0.176CC..Hα-helixtrans-60.9-45.2176.5-72.1167.1000111.6I538 I541 T542 A639 L640 N645 R646 V647 L649 L725I538-L643 HydrophobicContact CG1-CD2 4.34Å; I538-L643 HydrophobicContact CG2-CD1 4.38Å; I538-L643 HydrophobicContact CG2-CD2 4.22Å; I541-L643 HydrophobicContact CD1-CD2 3.83Å; I541-L643 HydrophobicContact CG1-CD2 4.3Å; T542-L643 HydrophobicContact CG2-CD1 4.14Å; T542-L643 HydrophobicContact CG2-CD2 4.06Å; T542-L643 HydrophobicContact CG2-CG 3.79Å; A639-L643 WeakPolarHBondContact O-CB 3.44Å; A639-L643 VanDerWaalsContact O-CG 3.27Å; A639-L643 WeakPolarHBondContact O-CG 3.4Å; A639-L643 PolarHBondContact O-N 2.77Å; L640-L643 HydrophobicContact CD2-CD1 4.23Å; L640-L643 PolarHBondContact O-N 3.09Å; L643-N645 PolarHBondContact O-N 3.07Å; L643-R646 PolarHBondContact O-N 3.23Å; L643-V647 HydrophobicContact CD2-CG2 3.82Å; L643-V647 WeakPolarHBondContact O-CA 3.41Å; L643-V647 VanDerWaalsContact O-CB 3.3Å; L643-V647 WeakPolarHBondContact O-CB 3.2Å; L643-V647 PolarHBondContact O-N 2.95Å; L643-L649 HydrophobicContact CB-CD1 3.82Å; L643-L725 HydrophobicContact CD2-CD2 4.38Å
644R85.1Confident81.9Confident62 Ų6236.7 Ų36.723%0.23417%0.169CC..Iπ-helixtrans-52.4-41.1175.2-172.1-175.4-176.1-141.33112.1F620 L625 L640 Q641 D648 L649 Q650F620-R644 HydrophobicContact CD2-CG 4.43Å; L625-R644 VanDerWaalsContact CD1-CZ 3.4Å; L640-R644 WeakPolarHBondContact O-CB 3.32Å; L640-R644 PolarHBondContact O-N 2.87Å; Q641-R644 PolarHBondContact O-N 2.68Å; R644-D648 WeakPolarHBondContact O-CA 3.44Å; R644-D648 PolarHBondContact O-N 3.3Å; R644-L649 HydrophobicContact CB-CB 4.44Å; R644-L649 HydrophobicContact CG-CB 4.49Å; R644-L649 PolarHBondContact O-N 3.28Å; R644-Q650 HydrophobicContact CG-CG 4.08Å
645N84.1Confident82.7Confident113 Ų11336.9 Ų36.960%0.60417%0.17SC*.Iπ-helixtrans-86.7-28-177.2-66.6-25.5000114.4Q641 I642 L643Q641-N645 PolarHBondContact O-N 3.36Å; Q641-N645 PolarHBondContact O-ND2 3.49Å; I642-N645 PolarHBondContact O-N 3.03Å; L643-N645 PolarHBondContact O-N 3.07Å
646R82.3Confident83.9Confident151 Ų15136.8 Ų36.857%0.5717%0.169SC*.Iπ-helixtrans-89.3-41.5-179-70.2-67.9-172168.91.6113I541 I642 L643I541-R646 HydrophobicContact CD1-CB 3.96Å; I642-R646 HydrophobicContact CG2-CG 3.95Å; I642-R646 WeakPolarHBondContact O-CB 3.43Å; I642-R646 VanDerWaalsContact O-CG 3.31Å; I642-R646 WeakPolarHBondContact O-CG 3.36Å; I642-R646 PolarHBondContact O-N 3.25Å; L643-R646 PolarHBondContact O-N 3.23Å
647V80.7Confident84.6Confident2 Ų235.6 Ų35.61%0.01216%0.162CC..Iπ-helixtrans-101.4-13.9-171.7-1750000112.2F534 I541 L643 L649 L725 F727 L765F534-V647 HydrophobicContact CZ-CG1 4.44Å; I541-V647 HydrophobicContact CD1-CG2 3.69Å; L643-V647 HydrophobicContact CD2-CG2 3.82Å; L643-V647 WeakPolarHBondContact O-CA 3.41Å; L643-V647 VanDerWaalsContact O-CB 3.3Å; L643-V647 WeakPolarHBondContact O-CB 3.2Å; L643-V647 PolarHBondContact O-N 2.95Å; V647-L649 HydrophobicContact CB-CD2 4.37Å; V647-L649 HydrophobicContact CG1-CD2 4.11Å; V647-L725 HydrophobicContact CG1-CD2 4.05Å; V647-F727 HydrophobicContact CG1-CE1 4.47Å; V647-F727 HydrophobicContact CG1-CZ 3.74Å; V647-L765 HydrophobicContact CB-CD1 4.39Å; V647-L765 HydrophobicContact CG1-CD1 3.86Å; V647-L765 HydrophobicContact CG1-CD2 3.75Å; V647-L765 HydrophobicContact CG1-CG 4.45Å; V647-L765 HydrophobicContact CG2-CD1 4.3Å
648D82.4Confident85Confident23 Ų2335.6 Ų35.612%0.12316%0.161CC..Iπ-helixtrans62.265.4-175.6-1695.9000114R644 Q650 H651 S761R644-D648 WeakPolarHBondContact O-CA 3.44Å; R644-D648 PolarHBondContact O-N 3.3Å; D648-Q650 PolarHBondContact O-N 3.19Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.32Å; D648-Q650 PolarHBondContact OD1-N 3.48Å; D648-H651 VanDerWaalsContact CG-ND1 3.34Å; D648-H651 PolarHBondContact OD1-N 3.38Å; D648-H651 IonicContact OD1-ND1 2.64Å; D648-H651 PolarHBondContact OD1-ND1 3.46Å; D648-H651 VanDerWaalsContact OD1-ND1 3.14Å; D648-H651 IonicContact OD2-CE1 2.8Å; D648-H651 IonicContact OD2-CG 3.56Å; D648-H651 IonicContact OD2-ND1 3.85Å; D648-H651 PolarHBondContact OD2-ND1 3.44Å; D648-S761 VanDerWaalsContact OD2-CB 3.25Å; D648-S761 WeakPolarHBondContact OD2-CB 3.48Å; D648-S761 PolarHBondContact OD2-OG 3.35Å
649L83.1Confident85.2Confident0 Ų030.2 Ų30.20%014%0.138CC..THydrogen-bonded Turntrans-75.321.9171.3-50.7-179.1000112.9F618 P619 F620 L643 R644 V647 L725 F727F618-L649 HydrophobicContact CB-CB 4.37Å; F618-L649 HydrophobicContact CD2-CB 3.87Å; F618-L649 HydrophobicContact CD2-CD2 3.9Å; F618-L649 HydrophobicContact CD2-CG 4.37Å; F618-L649 HydrophobicContact CE1-CD2 4.33Å; F618-L649 HydrophobicContact CE2-CB 4.46Å; F618-L649 HydrophobicContact CE2-CD2 3.68Å; F618-L649 HydrophobicContact CG-CB 4.21Å; F618-L649 HydrophobicContact CG-CD1 4.49Å; F618-L649 HydrophobicContact CG-CD2 4.33Å; F618-L649 HydrophobicContact CZ-CD2 3.92Å; P619-L649 WeakPolarHBondContact CA-O 3.42Å; F620-L649 HydrophobicContact CE2-CB 4.44Å; F620-L649 HydrophobicContact CE2-CD1 3.93Å; L643-L649 HydrophobicContact CB-CD1 3.82Å; R644-L649 HydrophobicContact CB-CB 4.44Å; R644-L649 HydrophobicContact CG-CB 4.49Å; R644-L649 PolarHBondContact O-N 3.28Å; V647-L649 HydrophobicContact CB-CD2 4.37Å; V647-L649 HydrophobicContact CG1-CD2 4.11Å; L649-L725 HydrophobicContact CD2-CD1 4.06Å; L649-L725 HydrophobicContact CD2-CD2 4.24Å; L649-F727 HydrophobicContact CD2-CE1 4.04Å; L649-F727 HydrophobicContact CD2-CZ 4.46Å
650Q82.6Confident85.5Confident80 Ų8030.2 Ų30.237%0.37414%0.138SC..THydrogen-bonded Turntrans-99.5-38.3173.7-50.8-173.213.700111.4P619 R644 D648 L749P619-Q650 WeakPolarHBondContact CG-O 2.93Å; R644-Q650 HydrophobicContact CG-CG 4.08Å; D648-Q650 PolarHBondContact O-N 3.19Å; D648-Q650 WeakPolarHBondContact OD1-CB 3.32Å; D648-Q650 PolarHBondContact OD1-N 3.48Å; Q650-L749 VanDerWaalsContact O-CD2 3.26Å; Q650-L749 WeakPolarHBondContact O-CD2 3.39Å
651H82.2Confident85.3Confident41 Ų4131 Ų3119%0.1914%0.144CC..THydrogen-bonded Turntrans-99.5-9.6-179.3-57.499.1000114D648 N757 L758D648-H651 VanDerWaalsContact CG-ND1 3.34Å; D648-H651 PolarHBondContact OD1-N 3.38Å; D648-H651 IonicContact OD1-ND1 2.64Å; D648-H651 PolarHBondContact OD1-ND1 3.46Å; D648-H651 VanDerWaalsContact OD1-ND1 3.14Å; D648-H651 IonicContact OD2-CE1 2.8Å; D648-H651 IonicContact OD2-CG 3.56Å; D648-H651 IonicContact OD2-ND1 3.85Å; D648-H651 PolarHBondContact OD2-ND1 3.44Å; H651-N757 VanDerWaalsContact CD2-CB 3.45Å; H651-N757 WeakPolarHBondContact CD2-CB 3.29Å; H651-N757 WeakPolarHBondContact NE2-CB 3.22Å; H651-N757 PolarHBondContact NE2-ND2 2.94Å; H651-L758 HydrophobicContact CB-CB 4.34Å
652L84.8Confident84.7Confident3 Ų329 Ų292%0.01614%0.14CC..  trans-103.8156.1176.2-76.7156.9000110.8F618 P619 F727 L758F618-L652 WeakPolarHBondContact CD2-O 3.38Å; F618-L652 HydrophobicContact CE2-CB 4.04Å; P619-L652 WeakPolarHBondContact CD-O 3.44Å; P619-L652 WeakPolarHBondContact CG-O 3.49Å; L652-F727 HydrophobicContact CB-CD1 3.98Å; L652-F727 HydrophobicContact CB-CE1 3.94Å; L652-F727 HydrophobicContact CD1-CD1 4.25Å; L652-F727 HydrophobicContact CD1-CE1 3.72Å; L652-F727 HydrophobicContact CD1-CZ 4.31Å; L652-F727 HydrophobicContact CD2-CD1 3.98Å; L652-F727 HydrophobicContact CD2-CE1 4.3Å; L652-F727 HydrophobicContact CG-CD1 4.3Å; L652-F727 HydrophobicContact CG-CE1 4.2Å; L652-L758 HydrophobicContact CD2-CD1 3.33Å; L652-L758 HydrophobicContact CG-CD1 3.69Å
653C88.2Confident83.8Confident1 Ų127.5 Ų27.51%0.00714%0.135CC..  trans-124.1157.3171.775.80000112.8I522 F618 F727 G728 V740 I744 L749I522-C653 WeakPolarHBondContact CG2-SG 3.25Å; F618-C653 WeakPolarHBondContact O-CA 3.35Å; C653-F727 WeakPolarHBondContact O-CA 3.18Å; C653-G728 PolarHBondContact O-N 3.13Å; C653-V740 HydrophobicContact CB-CG1 4.35Å; C653-I744 HydrophobicContact CB-CD1 4.23Å; C653-I744 HydrophobicContact CB-CG1 3.75Å; C653-L749 HydrophobicContact CB-CD1 3.73Å
654G89.8Confident82.2Confident0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans153.6-150.2178.700000111.9P617 F618 C726 G728 V740P617-G654 WeakPolarHBondContact CA-O 3.46Å; F618-G654 VanDerWaalsContact CD1-C 3.48Å; F618-G654 WeakPolarHBondContact CD1-O 3.47Å; F618-G654 PolarHBondContact N-O 3.45Å; F618-G654 PolarHBondContact O-N 2.97Å; G654-C726 VanDerWaalsContact CA-O 3.32Å; G654-C726 WeakPolarHBondContact CA-O 3.34Å; G654-G728 WeakPolarHBondContact CA-O 3.24Å; G654-V740 WeakPolarHBondContact O-CG2 3.14Å
655Y91.1Very high80.3Confident7 Ų737.8 Ų37.83%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-140.1153.5177.967.1-85.5000112.6A505 H615 V616 C726 P730 F732 L736A505-Y655 HydrophobicContact CB-CE1 3.87Å; H615-Y655 HydrophobicContact CB-CD2 4.17Å; H615-Y655 AromaticContact ND1-CD2 3.66Å; H615-Y655 AromaticContact ND1-CE2 3.7Å; V616-Y655 CarbonylContact O-C 3.6Å; V616-Y655 WeakPolarHBondContact O-CA 3.49Å; Y655-C726 HydrophobicContact CD1-CB 4.05Å; Y655-C726 HydrophobicContact CE1-CB 3.51Å; Y655-C726 HydrophobicContact CE2-CB 4.09Å; Y655-C726 PolarHBondContact N-O 2.74Å; Y655-C726 VanDerWaalsContact N-O 3.08Å; Y655-C726 PolarHBondContact O-N 3.01Å; Y655-C726 PolarHBondContact OH-SG 3.26Å; Y655-C726 VanDerWaalsContact OH-SG 3.4Å; Y655-P730 HydrophobicContact CD1-CB 3.97Å; Y655-P730 HydrophobicContact CD1-CG 4.1Å; Y655-P730 HydrophobicContact CE1-CB 3.95Å; Y655-F732 AromaticContact CE1-CE1 3.81Å; Y655-F732 HydrophobicContact CE1-CE1 3.81Å; Y655-F732 HydrophobicContact CE1-CZ 4.17Å; Y655-F732 HydrophobicContact CE2-CE1 4.41Å; Y655-F732 HydrophobicContact CE2-CZ 4.14Å; Y655-F732 AromaticContact CZ-CE1 3.67Å; Y655-F732 AromaticContact CZ-CZ 3.85Å; Y655-L736 HydrophobicContact CD1-CD2 4.07Å; Y655-L736 HydrophobicContact CD2-CD2 4.3Å; Y655-L736 HydrophobicContact CG-CD2 3.88Å
656V89.9Confident77.8Confident0 Ų037.2 Ų37.20%020%0.199CC..EExtended strand (participates in β ladder)trans-108.8127.7170.9-1570000108.3H615 V616 F618 L640 E724 L725H615-V656 WeakPolarHBondContact CA-O 3.4Å; V616-V656 PolarHBondContact N-O 3.19Å; V616-V656 PolarHBondContact O-N 3.4Å; F618-V656 HydrophobicContact CD1-CG2 3.89Å; F618-V656 HydrophobicContact CE1-CG2 4.27Å; L640-V656 HydrophobicContact CD2-CB 4.09Å; L640-V656 HydrophobicContact CD2-CG1 3.83Å; L640-V656 HydrophobicContact CD2-CG2 4Å; V656-E724 CarbonylContact C-O 3.56Å; V656-E724 WeakPolarHBondContact CA-O 3.42Å; V656-E724 VanDerWaalsContact CG1-O 3.3Å; V656-E724 WeakPolarHBondContact CG1-O 3.47Å; V656-L725 HydrophobicContact CB-CD1 4.46Å; V656-L725 HydrophobicContact CG1-CD1 4.45Å; V656-L725 HydrophobicContact CG2-CD1 3.76Å
657T89.3Confident75.5Confident6 Ų637.4 Ų37.44%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-87.6114.1171.1-54.80000108.3T613 H615 L723 E724T613-T657 HydrophobicContact CG2-CG2 4.21Å; H615-T657 PolarHBondContact CE1-OG1 3.19Å; H615-T657 PolarHBondContact ND1-OG1 3.41Å; T657-L723 HydrophobicContact CG2-CB 4.39Å; T657-L723 HydrophobicContact CG2-CD2 4.21Å; T657-L723 WeakPolarHBondContact O-CB 3.31Å; T657-L723 PolarHBondContact O-N 3.28Å; T657-E724 PolarHBondContact N-O 3.26Å; T657-E724 PolarHBondContact O-N 2.79Å
658M88.6Confident73.1Confident0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-92.4139.6169.6-61.8-63.6-66.100109T613 V614 V616 L640 W720 V721 P722T613-M658 CarbonylContact C-O 3.58Å; T613-M658 VanDerWaalsContact CA-O 3.29Å; T613-M658 WeakPolarHBondContact CA-O 3.44Å; V614-M658 PolarHBondContact N-O 3.3Å; V614-M658 PolarHBondContact O-N 2.7Å; V616-M658 HydrophobicContact CG2-CG 3.87Å; L640-M658 HydrophobicContact CD2-SD 3.9Å; L640-M658 HydrophobicContact CG-SD 4.34Å; M658-W720 HydrophobicContact CB-CE3 3.88Å; M658-W720 HydrophobicContact CB-CZ3 4.38Å; M658-W720 HydrophobicContact CE-CB 4.01Å; M658-V721 WeakPolarHBondContact CA-O 3.26Å; M658-P722 HydrophobicContact SD-CB 4.11Å
659L87.4Confident70.5Confident2 Ų256.5 Ų56.51%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-118.1134.4178.8172.668000110.1P546 E612 T613 V721 L723P546-L659 HydrophobicContact CB-CD2 4.37Å; E612-L659 WeakPolarHBondContact O-CA 3.32Å; T613-L659 HydrophobicContact CG2-CD1 3.76Å; L659-V721 HydrophobicContact CB-CG2 4.39Å; L659-V721 PolarHBondContact N-O 3.29Å; L659-V721 PolarHBondContact O-N 2.79Å; L659-L723 HydrophobicContact CB-CB 4.04Å; L659-L723 HydrophobicContact CB-CD2 4.41Å; L659-L723 HydrophobicContact CD2-CD1 4.27Å; L659-L723 HydrophobicContact CD2-CD2 4.49Å
660N86.8Confident68Low0 Ų064.9 Ų64.90%033%0.332CS..EExtended strand (participates in β ladder)trans-115.9106.6166.9172.92.8000109.4E612 S662 S663 W720E612-N660 HydrophobicContact CB-CB 4.33Å; E612-N660 PolarHBondContact N-O 2.95Å; E612-N660 PolarHBondContact O-N 2.74Å; N660-S662 PolarHBondContact OD1-N 3.06Å; N660-S662 PolarHBondContact OD1-OG 3.27Å; N660-S663 PolarHBondContact OD1-N 3.46Å; N660-W720 HydrophobicContact CB-CD2 3.73Å; N660-W720 HydrophobicContact CB-CE3 3.65Å; N660-W720 HydrophobicContact CB-CG 4.49Å; N660-W720 HydrophobicContact CB-CH2 3.71Å; N660-W720 HydrophobicContact CB-CZ2 3.76Å; N660-W720 HydrophobicContact CB-CZ3 3.65Å
661A79.1Confident65.4Low15 Ų1566 Ų6612%0.12435%0.348CS..THydrogen-bonded Turntrans-81.6-11.1-178.600000114.2Y567 H605 L607Y567-A661 HydrophobicContact CE1-CB 3.97Å; H605-A661 WeakPolarHBondContact O-CA 3.29Å; H605-A661 VanDerWaalsContact O-CB 3.31Å; H605-A661 WeakPolarHBondContact O-CB 3.22Å; L607-A661 WeakPolarHBondContact CB-O 3.42Å; L607-A661 HydrophobicContact CG-CB 4.32Å; L607-A661 WeakPolarHBondContact CG-O 3.5Å; L607-A661 PolarHBondContact N-O 3.21Å
662S72.3Confident63Low46 Ų4671.8 Ų71.832%0.32238%0.381SS..THydrogen-bonded Turntrans-95-9.6-179.670.30000113.6N660 Q664 D719N660-S662 PolarHBondContact OD1-N 3.06Å; N660-S662 PolarHBondContact OD1-OG 3.27Å; S662-Q664 PolarHBondContact O-N 3.13Å; S662-D719 PolarHBondContact OG-OD1 2.97Å
663S63.5Low60.3Low26 Ų2676 Ų7618%0.18242%0.416CS..  trans-59.6123.4-177.7-160.10000112.6E612 N660 L665E612-S663 VanDerWaalsContact OE2-CB 3.26Å; E612-S663 WeakPolarHBondContact OE2-CB 3.2Å; E612-S663 PolarHBondContact OE2-OG 3.16Å; N660-S663 PolarHBondContact OD1-N 3.46Å; S663-L665 PolarHBondContact O-N 2.7Å
664Q52Low57.6Low153 Ų15380.5 Ų80.572%0.71545%0.447SS*.  trans-9197.4171.1-67.3-175.7-0.500108.8S662 A666S662-Q664 PolarHBondContact O-N 3.13Å; Q664-A666 PolarHBondContact O-N 3.36Å
665L45.1Very low54.7Low125 Ų12588 Ų8865%0.65449%0.487SS*.  trans-58.2113.1159.7-95.386.2000107.6S663 N667S663-L665 PolarHBondContact O-N 2.7Å; L665-N667 PolarHBondContact O-N 2.8Å
666A33Very low51.7Low100 Ų10095.8 Ų95.883%0.82652%0.524SS*.  trans-60.5107.5-169.200000110.6Q664Q664-A666 PolarHBondContact O-N 3.36Å
667N33.2Very low48.9Very low155 Ų155107.4 Ų107.483%0.82957%0.568SS**  trans-65.2148.4-172.4-146.2-22000110.8L665L665-N667 PolarHBondContact O-N 2.8Å
668R31.6Very low45.9Very low225 Ų225110.9 Ų110.985%0.84961%0.605SS**  trans-45137.7-165.2-67.4169.1173.2160.9-3.1113.2L670R668-L670 PolarHBondContact O-N 3.48Å
669K27Very low42.9Very low201 Ų201120.2 Ų120.287%0.87465%0.649SS**  trans-55.7107.9162.4-76.2179.4178.4172.50109S671K669-S671 VanDerWaalsContact C-N 3.29Å; K669-S671 PolarHBondContact O-N 3.37Å
670L29.8Very low40.3Very low177 Ų177125.8 Ų125.893%0.92769%0.685SS**  trans-68.194.3156.8-78.7162.6000107R668 D672R668-L670 PolarHBondContact O-N 3.48Å; L670-D672 PolarHBondContact O-N 3.34Å
671S27.8Very low37.2Very low104 Ų104133.6 Ų133.673%0.72773%0.727SS**  trans-72.4104.9168.952.40000108.5K669 A673K669-S671 VanDerWaalsContact C-N 3.29Å; K669-S671 PolarHBondContact O-N 3.37Å; S671-A673 PolarHBondContact O-N 3.31Å
672D32.3Very low34.9Very low162 Ų162141 Ų14187%0.86676%0.763SS**  trans-55.2125.8172.5-168.211.2000110.5L670L670-D672 PolarHBondContact O-N 3.34Å
673A29.3Very low32.6Very low91 Ų91143.6 Ų143.675%0.75279%0.788SS**  trans-154.494.5-176.300000109.3S671S671-A673 PolarHBondContact O-N 3.31Å
674S30.4Very low30.9Very low96 Ų96148.5 Ų148.567%0.67182%0.822SS**  trans-81.3148.9176.154.60000112.4
675D28.7Very low29.6Very low156 Ų156144.9 Ų144.983%0.83483%0.826SS**  trans68.1145.5168.9-60.6-44.5000116.2
676E29.3Very low28.7Very low172 Ų172144 Ų14480%0.80483%0.83SS**  cis-129.6154.16.6-71.6-171115.700113.8
677R30.5Very low28.3Very low243 Ų243146.5 Ų146.592%0.91783%0.83SS**  trans16.3121.1150.3-58179.3-178-158.1-0.4120.8
678G26Very low28.1Very low80 Ų80145.7 Ų145.783%0.82583%0.83SS**  trans-157.5140.1150.400000110.3
679E26.7Very low27.8Very low195 Ų195141.9 Ų141.991%0.91183%0.827SS**  trans-84.1155.6179.8-88.6-161.2152.400113.1
680P31Very low28Very low119 Ų119136.4 Ų136.477%0.77383%0.827SS**  trans-82.6154.7-18035.2-35.6000112
681D23.3Very low27.7Very low164 Ų164132.9 Ų132.988%0.87782%0.817SS**  trans-136.1153165.1-143.8-21.1000111.7
682L29.5Very low27.7Very low170 Ų170134.8 Ų134.889%0.8982%0.824SS**  trans-107.9125.7-164.1-77.2155.7000112.2
683A25Very low27.3Very low102 Ų102135.7 Ų135.784%0.84382%0.823SS**  trans-133.7115.6164.900000110.8
684S27.3Very low27.1Very low128 Ų128136.7 Ų136.790%0.89583%0.825SS**  trans-79.4138.3173.7-175.30000110.5
685G24.3Very low27Very low77 Ų77141.2 Ų141.279%0.79483%0.833SS**  trans-156.478.7-179.900000111.4
686S26.7Very low26.9Very low106 Ų106140.7 Ų140.774%0.74183%0.826SS**  trans-84.9125.5172.657.70000110.6
687D23.7Very low26.8Very low154 Ų154137.7 Ų137.782%0.82481%0.813SS**  trans-138.8127156.3-107.2-45.4000110.4
688V30.6Very low26.9Very low138 Ų138128.4 Ų128.484%0.83678%0.783SS**  trans-110.6106.5173.3175.20000106.9
689N24.7Very low27.2Very low145 Ų145128 Ų12878%0.77576%0.761SS**  trans-141123.2164.7-96.6-52.9000109.8
690G30.5Very low27.3Very low85 Ų85123.9 Ų123.988%0.87674%0.742SS**  trans-80.6123.7172.200000110.3
691S24.6Very low27.3Very low103 Ų103122.2 Ų122.272%0.7272%0.724SS**  trans-127.4146.5166.4470000108.6E693S691-E693 PolarHBondContact O-N 3.09Å
692T28.3Very low27.5Very low144 Ų144118.4 Ų118.488%0.88372%0.715SS**  trans-62.6106179.547.70000110.9S694T692-S694 PolarHBondContact O-N 3.05Å
693E23.3Very low27.2Very low181 Ų181116.8 Ų116.885%0.84671%0.713SS**PPolyproline II helixtrans-68121.7170-68-177.315900109.1S691S691-E693 PolarHBondContact O-N 3.09Å
694S24.5Very low27.4Very low113 Ų113119.3 Ų119.379%0.7971%0.71SS**PPolyproline II helixtrans-67.9133.3174.6450000110.2T692 E696T692-S694 PolarHBondContact O-N 3.05Å; S694-E696 PolarHBondContact O-N 3.44Å
695F28.5Very low27.3Very low190 Ų190121.9 Ų121.983%0.83371%0.708SS**PPolyproline II helixtrans-57.3129.6179-71.5-85.3000111.9M697F695-M697 PolarHBondContact O-N 3Å
696E26.2Very low27.6Very low146 Ų146123.4 Ų123.468%0.68271%0.707SS**PPolyproline II helixtrans-72.2118.2-179.7-166-176.617900110.5S694 V698S694-E696 PolarHBondContact O-N 3.44Å; E696-V698 VanDerWaalsContact C-N 3.31Å; E696-V698 HydrophobicContact CB-CG2 4.09Å; E696-V698 HydrophobicContact CG-CG2 3.64Å; E696-V698 PolarHBondContact O-N 2.93Å
697M28.2Very low27.5Very low108 Ų108124 Ų12453%0.53271%0.706SS.*  trans-82.574.8179.9-171.8-178.865.800110.3F389 F695 I699F389-M697 HydrophobicContact CE1-CE 4.23Å; F389-M697 HydrophobicContact CZ-CE 4.21Å; F695-M697 PolarHBondContact O-N 3Å; M697-I699 PolarHBondContact O-N 2.84Å
698V31.1Very low27.6Very low48 Ų48122.5 Ų122.529%0.29170%0.703SS.*  trans-74.982.6-174.5-172.80000111.8E696 E700E696-V698 VanDerWaalsContact C-N 3.31Å; E696-V698 HydrophobicContact CB-CG2 4.09Å; E696-V698 HydrophobicContact CG-CG2 3.64Å; E696-V698 PolarHBondContact O-N 2.93Å; V698-E700 HydrophobicContact CG1-CB 4.31Å; V698-E700 HydrophobicContact CG1-CG 4.05Å
699I33.5Very low27.4Very low71 Ų71124.8 Ų124.836%0.36470%0.701SS.*  trans-102.681.8149.3-54.1-179.4000107.1M697 E701 F732M697-I699 PolarHBondContact O-N 2.84Å; I699-E701 PolarHBondContact O-N 2.66Å; I699-F732 HydrophobicContact CG2-CD2 4.22Å
700E28.8Very low28Very low110 Ų110126.7 Ų126.751%0.51471%0.705SS.*  trans-89.685.9167.8-74.5-165.3121.900110V698 A702V698-E700 HydrophobicContact CG1-CB 4.31Å; V698-E700 HydrophobicContact CG1-CG 4.05Å; E700-A702 PolarHBondContact O-N 3.04Å
701E30.5Very low27.8Very low83 Ų83129.8 Ų129.839%0.38871%0.708SS.*PPolyproline II helixtrans-67.4122.2156.4-73.8-163.8153.800108.3H615 I699 T703 S733H615-E701 IonicContact CD2-OE1 3.76Å; H615-E701 PolarHBondContact CD2-OE1 3.23Å; H615-E701 IonicContact NE2-OE1 3.08Å; I699-E701 PolarHBondContact O-N 2.66Å; E701-T703 PolarHBondContact O-N 3.45Å; E701-S733 WeakPolarHBondContact OE1-CB 3.35Å; E701-S733 PolarHBondContact OE1-OG 3.42Å; E701-S733 WeakPolarHBondContact OE2-CB 3.23Å; E701-S733 PolarHBondContact OE2-OG 2.86Å
702A26.9Very low28.2Very low85 Ų85130.7 Ų130.770%0.70271%0.714SS**PPolyproline II helixtrans-73.4123.5176.600000110.4E700 I704E700-A702 PolarHBondContact O-N 3.04Å; A702-I704 PolarHBondContact O-N 2.74Å
703T24.1Very low28.6Very low136 Ų136127 Ų12783%0.83471%0.705SS**PPolyproline II helixtrans-64.6116.7-178.1220000112.2E701 E705E701-T703 PolarHBondContact O-N 3.45Å; T703-E705 PolarHBondContact O-N 2.77Å; T703-E705 VanDerWaalsContact O-N 3.13Å
704I30.1Very low29.5Very low155 Ų155123.2 Ų123.280%0.79570%0.704SS**  trans-83.386.5177.6-54.1179.4000109.7A702 S706A702-I704 PolarHBondContact O-N 2.74Å; I704-S706 PolarHBondContact O-N 3.12Å
705E24Very low30.9Very low181 Ų181120.3 Ų120.385%0.84668%0.682SS**  trans-71.3112.5166.7-75.3-159144.300111T703 T707T703-E705 PolarHBondContact O-N 2.77Å; T703-E705 VanDerWaalsContact O-N 3.13Å; E705-T707 PolarHBondContact O-N 3.03Å
706S29.8Very low32.7Very low110 Ų110114.7 Ų114.777%0.76966%0.663SS**  trans-83.473.7-172.564.30000113.8I704I704-S706 PolarHBondContact O-N 3.12Å
707T25.3Very low34.9Very low119 Ų119110 Ų11073%0.7364%0.642SS**  trans-147.4120.2163.4-2.70000116.8E705E705-T707 PolarHBondContact O-N 3.03Å
708T26.2Very low36.9Very low122 Ų122108.8 Ų108.875%0.74865%0.649SS**  trans66.3118.415636.80000122.3
709K26.4Very low39.2Very low186 Ų186109 Ų10981%0.80965%0.648SS**  trans78.795.5143.9-65.9179.9178.3178.30120.2
710Q36.7Very low41.6Very low184 Ų184105.7 Ų105.786%0.8663%0.631SS**  38.7104.2128.9-67.3-179.9-2800119.1
711T25.8Very low44.4Very low151 Ų151101.9 Ų101.993%0.92662%0.615SS**  -165.4102.1109.425.70000109.1
712S34.4Very low47.1Very low121 Ų12198 Ų9885%0.84660%0.597SS**  trans-84113.4176.251.10000110.6
713G36.5Very low50Low68 Ų6894.5 Ų94.570%0.70157%0.567SS**  trans-63.1132.9161.300000109.4T715G713-T715 PolarHBondContact O-N 3.15Å
714A41Very low53Low100 Ų10090.2 Ų90.283%0.82654%0.537SS*.  trans-76.789.8-178.800000110.3
715T54.9Low55.8Low53 Ų5383.1 Ų83.133%0.32550%0.501SS..  trans-67.3135.816848.80000109.4G713G713-T715 PolarHBondContact O-N 3.15Å
716T66.3Low58.9Low72 Ų7275.2 Ų75.244%0.44247%0.465SS..  trans-91.8161.4-177.173.60000110.7A718 D719T716-A718 PolarHBondContact O-N 3.32Å; T716-A718 VanDerWaalsContact O-N 3.11Å; T716-A718 PolarHBondContact OG1-N 3.49Å; T716-D719 WeakPolarHBondContact CA-OD2 3.38Å; T716-D719 WeakPolarHBondContact CB-OD2 3.35Å; T716-D719 PolarHBondContact N-OD2 2.65Å; T716-D719 PolarHBondContact O-N 2.84Å; T716-D719 VanDerWaalsContact O-N 3.12Å; T716-D719 PolarHBondContact OG1-OD2 3.14Å
717E72.3Confident61.7Low48 Ų4870.5 Ų70.522%0.22443%0.431CS..G310 helixtrans-54.3-30.7172.7-168-164.3177.100111.6F629 H637 K638F629-E717 HydrophobicContact CD1-CB 4.26Å; F629-E717 HydrophobicContact CD2-CG 4.26Å; F629-E717 HydrophobicContact CE1-CB 4.25Å; F629-E717 HydrophobicContact CE2-CG 4.29Å; F629-E717 HydrophobicContact CG-CB 4.43Å; F629-E717 HydrophobicContact CZ-CB 4.41Å; H637-E717 WeakPolarHBondContact CD2-CG 3.26Å; H637-E717 PolarHBondContact NE2-O 3.41Å; H637-E717 VanDerWaalsContact NE2-O 3.13Å; K638-E717 VanDerWaalsContact CD-OE1 3.27Å; K638-E717 WeakPolarHBondContact CD-OE1 3.15Å; K638-E717 VanDerWaalsContact CG-OE1 3.27Å; K638-E717 WeakPolarHBondContact CG-OE1 3.47Å; K638-E717 PolarHBondContact N-OE1 2.66Å; K638-E717 IonicContact NZ-OE1 2.87Å; K638-E717 IonicContact NZ-OE2 2.7Å; K638-E717 PolarHBondContact NZ-OE2 3.36Å
718A71.2Confident64.8Low82 Ų8264.8 Ų64.868%0.67840%0.396SS*.G310 helixtrans-78.7-14.9-177.500000114.8T716 W720T716-A718 PolarHBondContact O-N 3.32Å; T716-A718 VanDerWaalsContact O-N 3.11Å; T716-A718 PolarHBondContact OG1-N 3.49Å; A718-W720 VanDerWaalsContact C-N 3.3Å
719D79.5Confident67.9Low53 Ų5359 Ų5928%0.28336%0.36SS..G310 helixtrans-76.5-20.1176.3-67.2-74.7000112.4S662 T716S662-D719 PolarHBondContact OG-OD1 2.97Å; T716-D719 WeakPolarHBondContact CA-OD2 3.38Å; T716-D719 WeakPolarHBondContact CB-OD2 3.35Å; T716-D719 PolarHBondContact N-OD2 2.65Å; T716-D719 PolarHBondContact O-N 2.84Å; T716-D719 VanDerWaalsContact O-N 3.12Å; T716-D719 PolarHBondContact OG1-OD2 3.14Å
720W82.8Confident71Confident1 Ų150.1 Ų50.10%0.00432%0.322CS..EExtended strand (participates in β ladder)trans-101126.4-175.7-68.592.4000111.4E612 V614 F629 H631 M634 H637 M658 N660 A718E612-W720 HydrophobicContact CB-CH2 4.42Å; E612-W720 HydrophobicContact CG-CH2 3.87Å; E612-W720 WeakPolarHBondContact OE1-CH2 3.28Å; V614-W720 HydrophobicContact CB-CH2 4.32Å; V614-W720 HydrophobicContact CB-CZ3 4.05Å; V614-W720 HydrophobicContact CG2-CH2 3.56Å; V614-W720 HydrophobicContact CG2-CZ3 3.78Å; F629-W720 AromaticContact CZ-CD1 3.95Å; H631-W720 AromaticContact CD2-CZ2 3.76Å; H631-W720 AromaticContact NE2-CZ2 3.99Å; M634-W720 HydrophobicContact CE-CD2 3.47Å; M634-W720 VanDerWaalsContact CE-CD2 3.47Å; M634-W720 VanDerWaalsContact CE-CE2 3.49Å; M634-W720 HydrophobicContact CE-CE3 3.87Å; M634-W720 HydrophobicContact CE-CG 3.88Å; M634-W720 HydrophobicContact CE-CH2 4.22Å; M634-W720 HydrophobicContact CE-CZ2 3.89Å; M634-W720 HydrophobicContact CE-CZ3 4.23Å; M634-W720 HydrophobicContact SD-CD2 4.44Å; M634-W720 HydrophobicContact SD-CG 4.38Å; H637-W720 PolarHBondContact NE2-O 2.76Å; H637-W720 VanDerWaalsContact NE2-O 3.09Å; M658-W720 HydrophobicContact CB-CE3 3.88Å; M658-W720 HydrophobicContact CB-CZ3 4.38Å; M658-W720 HydrophobicContact CE-CB 4.01Å; N660-W720 HydrophobicContact CB-CD2 3.73Å; N660-W720 HydrophobicContact CB-CE3 3.65Å; N660-W720 HydrophobicContact CB-CG 4.49Å; N660-W720 HydrophobicContact CB-CH2 3.71Å; N660-W720 HydrophobicContact CB-CZ2 3.76Å; N660-W720 HydrophobicContact CB-CZ3 3.65Å; A718-W720 VanDerWaalsContact C-N 3.3Å
721V87.1Confident73.4Confident30 Ų3041.8 Ų41.818%0.18228%0.283CS..EExtended strand (participates in β ladder)trans-125146176-68.40000111P546 M658 L659 L723P546-V721 HydrophobicContact CB-CG2 4.41Å; M658-V721 WeakPolarHBondContact CA-O 3.26Å; L659-V721 HydrophobicContact CB-CG2 4.39Å; L659-V721 PolarHBondContact N-O 3.29Å; L659-V721 PolarHBondContact O-N 2.79Å; V721-L723 PolarHBondContact O-N 2.81Å
722P88.3Confident76.3Confident0 Ų035.7 Ų35.70%024%0.244CC..EExtended strand (participates in β ladder)trans-66.1130.517130.3-35.2000109.1I538 Y539 Q544 P546 A639 M658I538-P722 HydrophobicContact CG2-CB 4.22Å; I538-P722 HydrophobicContact CG2-CG 4.21Å; Y539-P722 WeakPolarHBondContact CE1-O 3.41Å; Q544-P722 VanDerWaalsContact O-CG 3.23Å; Q544-P722 WeakPolarHBondContact O-CG 3.33Å; P546-P722 WeakPolarHBondContact CD-O 3.2Å; A639-P722 HydrophobicContact CB-CG 3.93Å; M658-P722 HydrophobicContact SD-CB 4.11Å
723L87.1Confident78.7Confident13 Ų1330.6 Ų30.67%0.06821%0.208CC..EExtended strand (participates in β ladder)trans-97.1-46.2172.8179.862.3000110.5Y539 P546 L571 T657 L659 V721Y539-L723 PolarHBondContact OH-O 3.23Å; P546-L723 HydrophobicContact CG-CD1 4.02Å; L571-L723 HydrophobicContact CD2-CD1 4.16Å; L571-L723 HydrophobicContact CD2-CD2 4.43Å; T657-L723 HydrophobicContact CG2-CB 4.39Å; T657-L723 HydrophobicContact CG2-CD2 4.21Å; T657-L723 WeakPolarHBondContact O-CB 3.31Å; T657-L723 PolarHBondContact O-N 3.28Å; L659-L723 HydrophobicContact CB-CB 4.04Å; L659-L723 HydrophobicContact CB-CD2 4.41Å; L659-L723 HydrophobicContact CD2-CD1 4.27Å; L659-L723 HydrophobicContact CD2-CD2 4.49Å; V721-L723 PolarHBondContact O-N 2.81Å
724E87.4Confident81.1Confident46 Ų4629.1 Ų29.122%0.21519%0.187CC..EExtended strand (participates in β ladder)trans-155.1154.5-169.2-172.3164.4-124.400111.8K535 V656 T657K535-E724 WeakPolarHBondContact CE-OE1 3.46Å; K535-E724 IonicContact NZ-OE1 2.7Å; K535-E724 PolarHBondContact NZ-OE1 3.19Å; K535-E724 IonicContact NZ-OE2 3.53Å; V656-E724 CarbonylContact C-O 3.56Å; V656-E724 WeakPolarHBondContact CA-O 3.42Å; V656-E724 VanDerWaalsContact CG1-O 3.3Å; V656-E724 WeakPolarHBondContact CG1-O 3.47Å; T657-E724 PolarHBondContact N-O 3.26Å; T657-E724 PolarHBondContact O-N 2.79Å
725L88.9Confident83.3Confident6 Ų629.8 Ų29.83%0.03117%0.173CC..EExtended strand (participates in β ladder)trans-135.6110.9179.3172.364.4000108.8F534 I538 F618 L643 V647 L649 V656 F727F534-L725 HydrophobicContact CE1-CB 4.03Å; F534-L725 HydrophobicContact CE1-CD2 3.8Å; F534-L725 HydrophobicContact CE1-CG 4.02Å; F534-L725 HydrophobicContact CZ-CD2 3.92Å; I538-L725 HydrophobicContact CD1-CB 3.61Å; F618-L725 HydrophobicContact CD1-CD1 4.19Å; F618-L725 HydrophobicContact CE1-CD1 3.39Å; F618-L725 HydrophobicContact CZ-CD1 3.83Å; L643-L725 HydrophobicContact CD2-CD2 4.38Å; V647-L725 HydrophobicContact CG1-CD2 4.05Å; L649-L725 HydrophobicContact CD2-CD1 4.06Å; L649-L725 HydrophobicContact CD2-CD2 4.24Å; V656-L725 HydrophobicContact CB-CD1 4.46Å; V656-L725 HydrophobicContact CG1-CD1 4.45Å; V656-L725 HydrophobicContact CG2-CD1 3.76Å; L725-F727 HydrophobicContact CD2-CE2 4.33Å; L725-F727 HydrophobicContact CD2-CZ 3.85Å; L725-F727 HydrophobicContact CG-CE2 4.24Å; L725-F727 HydrophobicContact CG-CZ 4Å
726C89Confident84.8Confident14 Ų1427.6 Ų27.610%0.09516%0.159CC..EExtended strand (participates in β ladder)trans-109.2137.3-177.2-68.70000110.9A505 G654 Y655A505-C726 HydrophobicContact CB-CB 4.31Å; G654-C726 VanDerWaalsContact CA-O 3.32Å; G654-C726 WeakPolarHBondContact CA-O 3.34Å; Y655-C726 HydrophobicContact CD1-CB 4.05Å; Y655-C726 HydrophobicContact CE1-CB 3.51Å; Y655-C726 HydrophobicContact CE2-CB 4.09Å; Y655-C726 PolarHBondContact N-O 2.74Å; Y655-C726 VanDerWaalsContact N-O 3.08Å; Y655-C726 PolarHBondContact O-N 3.01Å; Y655-C726 PolarHBondContact OH-SG 3.26Å; Y655-C726 VanDerWaalsContact OH-SG 3.4Å
727F89.3Confident86.1Confident11 Ų1124.3 Ų24.35%0.04814%0.139CC..EExtended strand (participates in β ladder)trans-107.1138.9177-61.9-76000111.4V529 F534 F618 V647 L649 L652 C653 L725 L765V529-F727 HydrophobicContact CG1-CD2 3.57Å; V529-F727 HydrophobicContact CG1-CE2 3.56Å; F534-F727 AromaticContact CE1-CE2 3.73Å; F534-F727 HydrophobicContact CE1-CE2 3.73Å; F534-F727 HydrophobicContact CE1-CZ 4.42Å; F534-F727 AromaticContact CZ-CE2 3.77Å; F534-F727 HydrophobicContact CZ-CE2 3.77Å; F534-F727 HydrophobicContact CZ-CZ 4.21Å; F618-F727 AromaticContact CE2-CD1 3.96Å; F618-F727 HydrophobicContact CE2-CD1 3.96Å; F618-F727 AromaticContact CE2-CE1 3.93Å; F618-F727 HydrophobicContact CE2-CE1 3.93Å; F618-F727 AromaticContact CZ-CD1 3.61Å; F618-F727 HydrophobicContact CZ-CD1 3.61Å; F618-F727 AromaticContact CZ-CE1 3.67Å; F618-F727 HydrophobicContact CZ-CE1 3.67Å; V647-F727 HydrophobicContact CG1-CE1 4.47Å; V647-F727 HydrophobicContact CG1-CZ 3.74Å; L649-F727 HydrophobicContact CD2-CE1 4.04Å; L649-F727 HydrophobicContact CD2-CZ 4.46Å; L652-F727 HydrophobicContact CB-CD1 3.98Å; L652-F727 HydrophobicContact CB-CE1 3.94Å; L652-F727 HydrophobicContact CD1-CD1 4.25Å; L652-F727 HydrophobicContact CD1-CE1 3.72Å; L652-F727 HydrophobicContact CD1-CZ 4.31Å; L652-F727 HydrophobicContact CD2-CD1 3.98Å; L652-F727 HydrophobicContact CD2-CE1 4.3Å; L652-F727 HydrophobicContact CG-CD1 4.3Å; L652-F727 HydrophobicContact CG-CE1 4.2Å; C653-F727 WeakPolarHBondContact O-CA 3.18Å; L725-F727 HydrophobicContact CD2-CE2 4.33Å; L725-F727 HydrophobicContact CD2-CZ 3.85Å; L725-F727 HydrophobicContact CG-CE2 4.24Å; L725-F727 HydrophobicContact CG-CZ 4Å; F727-L765 HydrophobicContact CE2-CD2 4.39Å; F727-L765 HydrophobicContact CZ-CD2 4.23Å
728G89.3Confident86.8Confident0 Ų025.5 Ų25.50%014%0.144CC..SBendtrans120.3-161.1-176.900000112.6S503 C653 G654S503-G728 CarbonylContact O-C 3.5Å; S503-G728 VanDerWaalsContact O-CA 3.24Å; S503-G728 WeakPolarHBondContact O-CA 3.48Å; C653-G728 PolarHBondContact O-N 3.13Å; G654-G728 WeakPolarHBondContact CA-O 3.24Å
729I91.3Very high87.6Confident0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-105.4119179.7-61.8-179.2000110.1F380 T448 L452 V502 S503 M504 A505 N737 I744F380-I729 HydrophobicContact CE2-CB 4.35Å; F380-I729 HydrophobicContact CE2-CD1 4.49Å; T448-I729 HydrophobicContact CG2-CD1 4.08Å; T448-I729 HydrophobicContact CG2-CG2 3.88Å; L452-I729 HydrophobicContact CD2-CD1 4.28Å; V502-I729 HydrophobicContact CG1-CD1 3.66Å; V502-I729 HydrophobicContact CG1-CG1 3.95Å; S503-I729 PolarHBondContact O-N 3.33Å; M504-I729 CarbonylContact C-O 3.59Å; M504-I729 WeakPolarHBondContact CA-O 3.41Å; A505-I729 PolarHBondContact N-O 3.04Å; I729-N737 WeakPolarHBondContact CG2-ND2 3.38Å; I729-I744 HydrophobicContact CD1-CD1 4.01Å; I729-I744 HydrophobicContact CG1-CD1 3.96Å
730P91.8Very high88Confident0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-69.6133.5177.925-28.7000111.8A505 Y655 F732 L736 N737 V740A505-P730 WeakPolarHBondContact O-CA 3.23Å; Y655-P730 HydrophobicContact CD1-CB 3.97Å; Y655-P730 HydrophobicContact CD1-CG 4.1Å; Y655-P730 HydrophobicContact CE1-CB 3.95Å; P730-F732 HydrophobicContact CB-CD1 4.19Å; P730-F732 HydrophobicContact CB-CE1 3.7Å; P730-F732 HydrophobicContact CB-CZ 4.25Å; P730-L736 HydrophobicContact CB-CD2 3.9Å; P730-L736 HydrophobicContact CB-CG 4.35Å; P730-L736 HydrophobicContact CG-CB 4.36Å; P730-L736 HydrophobicContact CG-CD2 3.82Å; P730-L736 HydrophobicContact CG-CG 3.75Å; P730-N737 WeakPolarHBondContact O-CB 3.31Å; P730-N737 PolarHBondContact O-ND2 2.91Å; P730-V740 HydrophobicContact CG-CB 4.47Å; P730-V740 HydrophobicContact CG-CG2 3.99Å
731L88Confident88.2Confident8 Ų823.3 Ų23.34%0.04212%0.118CC..  trans-106.6-13.7178.9-65.4-177.7000114.3F380 L386 T444 L445 T448 M504F380-L731 HydrophobicContact CE1-CD1 4.05Å; F380-L731 HydrophobicContact CZ-CD1 4.04Å; F380-L731 HydrophobicContact CZ-CD2 4.19Å; F380-L731 HydrophobicContact CZ-CG 4.35Å; L386-L731 HydrophobicContact CD1-CD1 3.94Å; L386-L731 HydrophobicContact CD2-CD1 4.16Å; T444-L731 WeakPolarHBondContact CB-O 3.47Å; T444-L731 HydrophobicContact CG2-CD2 4.45Å; T444-L731 WeakPolarHBondContact CG2-O 3.33Å; L445-L731 HydrophobicContact CD1-CD1 4.28Å; L445-L731 HydrophobicContact CD1-CD2 4.48Å; T448-L731 HydrophobicContact CG2-CD2 4.37Å; T448-L731 WeakPolarHBondContact OG1-CD2 3.29Å; M504-L731 HydrophobicContact CB-CD1 3.79Å; M504-L731 HydrophobicContact CB-CG 4.14Å; M504-L731 HydrophobicContact SD-CD1 4.21Å
732F86.1Confident88.2Confident24 Ų2429.3 Ų29.311%0.10514%0.137CC..SBendtrans-79.1-25.3-175.261.5-91.4000114.1H615 Y655 I699 P730 L736H615-F732 AromaticContact CD2-CE2 3.97Å; H615-F732 AromaticContact NE2-CE2 3.92Å; Y655-F732 AromaticContact CE1-CE1 3.81Å; Y655-F732 HydrophobicContact CE1-CE1 3.81Å; Y655-F732 HydrophobicContact CE1-CZ 4.17Å; Y655-F732 HydrophobicContact CE2-CE1 4.41Å; Y655-F732 HydrophobicContact CE2-CZ 4.14Å; Y655-F732 AromaticContact CZ-CE1 3.67Å; Y655-F732 AromaticContact CZ-CZ 3.85Å; I699-F732 HydrophobicContact CG2-CD2 4.22Å; P730-F732 HydrophobicContact CB-CD1 4.19Å; P730-F732 HydrophobicContact CB-CE1 3.7Å; P730-F732 HydrophobicContact CB-CZ 4.25Å; F732-L736 HydrophobicContact CE1-CD2 4.41Å; F732-L736 HydrophobicContact CE2-CD2 4.09Å; F732-L736 HydrophobicContact CZ-CD2 3.61Å
733S85.2Confident88Confident13 Ų1329.9 Ų29.99%0.09114%0.14CC..  trans-131.7118.7-176.5-175.10000111.6E701 E735 L736 N737E701-S733 WeakPolarHBondContact OE1-CB 3.35Å; E701-S733 PolarHBondContact OE1-OG 3.42Å; E701-S733 WeakPolarHBondContact OE2-CB 3.23Å; E701-S733 PolarHBondContact OE2-OG 2.86Å; S733-E735 PolarHBondContact O-N 3.04Å; S733-L736 PolarHBondContact O-N 3.27Å; S733-N737 VanDerWaalsContact O-CB 3.3Å; S733-N737 WeakPolarHBondContact O-CB 3.37Å; S733-N737 PolarHBondContact O-N 3.07Å
734S86Confident87.9Confident37 Ų3729.7 Ų29.726%0.25914%0.138SC..Hα-helixtrans-65-35.2-175.7-179.20000112.9T444 Q738T444-S734 WeakPolarHBondContact OG1-CA 3.49Å; T444-S734 WeakPolarHBondContact OG1-CB 3.45Å; S734-Q738 WeakPolarHBondContact O-CB 3.37Å; S734-Q738 VanDerWaalsContact O-CG 3.3Å; S734-Q738 WeakPolarHBondContact O-CG 3.34Å; S734-Q738 PolarHBondContact O-N 2.98Å
735E87.4Confident87.8Confident114 Ų11428.5 Ų28.553%0.53314%0.137SC..Hα-helixtrans-71-44.9177.6-163.3-168.1157.800111.2S733 Q738 K739S733-E735 PolarHBondContact O-N 3.04Å; E735-Q738 PolarHBondContact O-N 3.17Å; E735-K739 WeakPolarHBondContact O-CG 3.44Å; E735-K739 PolarHBondContact O-N 2.76Å; E735-K739 WeakPolarHBondContact OE1-CE 3.25Å; E735-K739 IonicContact OE1-NZ 3.74Å; E735-K739 PolarHBondContact OE1-NZ 2.87Å
736L87.6Confident87.5Confident7 Ų733 Ų334%0.03716%0.164CC..Hα-helixtrans-63.7-43177.5-171.567.3000111.2H615 P617 Y655 P730 F732 S733 Q738 K739 V740H615-L736 HydrophobicContact CB-CD1 3.86Å; H615-L736 HydrophobicContact CB-CD2 3.68Å; H615-L736 HydrophobicContact CB-CG 4.4Å; P617-L736 HydrophobicContact CB-CD1 3.97Å; P617-L736 HydrophobicContact CG-CD1 4.16Å; Y655-L736 HydrophobicContact CD1-CD2 4.07Å; Y655-L736 HydrophobicContact CD2-CD2 4.3Å; Y655-L736 HydrophobicContact CG-CD2 3.88Å; P730-L736 HydrophobicContact CB-CD2 3.9Å; P730-L736 HydrophobicContact CB-CG 4.35Å; P730-L736 HydrophobicContact CG-CB 4.36Å; P730-L736 HydrophobicContact CG-CD2 3.82Å; P730-L736 HydrophobicContact CG-CG 3.75Å; F732-L736 HydrophobicContact CE1-CD2 4.41Å; F732-L736 HydrophobicContact CE2-CD2 4.09Å; F732-L736 HydrophobicContact CZ-CD2 3.61Å; S733-L736 PolarHBondContact O-N 3.27Å; L736-Q738 PolarHBondContact O-N 2.88Å; L736-K739 PolarHBondContact O-N 2.86Å; L736-V740 WeakPolarHBondContact O-CG2 3.47Å; L736-V740 PolarHBondContact O-N 3.15Å
737N92Very high87.1Confident3 Ų335.3 Ų35.32%0.01617%0.174CC..Hα-helixtrans-54.4-52.2172.8-178.5-84.3000111.6T444 T448 I729 P730 S733 K739 V740 C741T444-N737 HydrophobicContact CG2-CB 3.45Å; T444-N737 VanDerWaalsContact CG2-CB 3.45Å; T444-N737 VanDerWaalsContact CG2-CG 3.46Å; T444-N737 WeakPolarHBondContact CG2-ND2 3.36Å; T448-N737 PolarHBondContact OG1-ND2 3.03Å; I729-N737 WeakPolarHBondContact CG2-ND2 3.38Å; P730-N737 WeakPolarHBondContact O-CB 3.31Å; P730-N737 PolarHBondContact O-ND2 2.91Å; S733-N737 VanDerWaalsContact O-CB 3.3Å; S733-N737 WeakPolarHBondContact O-CB 3.37Å; S733-N737 PolarHBondContact O-N 3.07Å; N737-K739 VanDerWaalsContact C-N 3.31Å; N737-K739 PolarHBondContact O-N 2.77Å; N737-V740 PolarHBondContact O-N 3.19Å; N737-C741 WeakPolarHBondContact O-CB 3.44Å; N737-C741 PolarHBondContact O-N 2.89Å; N737-C741 PolarHBondContact O-SG 2.73Å
738Q87.6Confident86.6Confident73 Ų7334.8 Ų34.834%0.34117%0.172SC..Hα-helixtrans-61.3-38.3179.4-75.9-178.960.200112.5S734 E735 L736 R742S734-Q738 WeakPolarHBondContact O-CB 3.37Å; S734-Q738 VanDerWaalsContact O-CG 3.3Å; S734-Q738 WeakPolarHBondContact O-CG 3.34Å; S734-Q738 PolarHBondContact O-N 2.98Å; E735-Q738 PolarHBondContact O-N 3.17Å; L736-Q738 PolarHBondContact O-N 2.88Å; Q738-R742 WeakPolarHBondContact O-CB 3.34Å; Q738-R742 WeakPolarHBondContact O-CD 3.5Å; Q738-R742 WeakPolarHBondContact O-CG 3.3Å; Q738-R742 PolarHBondContact O-N 2.87Å
739K88.1Confident86.1Confident84 Ų8435 Ų3537%0.36517%0.172SC..Hα-helixtrans-64-47.2174.9-70.6170.3-176.4166.40111.6P617 E735 L736 N737 R742 K743P617-K739 HydrophobicContact CB-CB 4.15Å; P617-K739 HydrophobicContact CG-CB 3.71Å; P617-K739 HydrophobicContact CG-CD 3.97Å; P617-K739 HydrophobicContact CG-CG 4.42Å; E735-K739 WeakPolarHBondContact O-CG 3.44Å; E735-K739 PolarHBondContact O-N 2.76Å; E735-K739 WeakPolarHBondContact OE1-CE 3.25Å; E735-K739 IonicContact OE1-NZ 3.74Å; E735-K739 PolarHBondContact OE1-NZ 2.87Å; L736-K739 PolarHBondContact O-N 2.86Å; N737-K739 VanDerWaalsContact C-N 3.31Å; N737-K739 PolarHBondContact O-N 2.77Å; K739-R742 PolarHBondContact O-N 3.47Å; K739-K743 WeakPolarHBondContact O-CB 3.43Å; K739-K743 WeakPolarHBondContact O-CG 3.43Å; K739-K743 PolarHBondContact O-N 2.82Å
740V88Confident85.4Confident0 Ų035.5 Ų35.50%018%0.176CC..Hα-helixtrans-63.6-48.1178.2173.70000111.3P617 C653 G654 P730 L736 N737 R742 K743 I744P617-V740 HydrophobicContact CB-CG2 3.65Å; C653-V740 HydrophobicContact CB-CG1 4.35Å; G654-V740 WeakPolarHBondContact O-CG2 3.14Å; P730-V740 HydrophobicContact CG-CB 4.47Å; P730-V740 HydrophobicContact CG-CG2 3.99Å; L736-V740 WeakPolarHBondContact O-CG2 3.47Å; L736-V740 PolarHBondContact O-N 3.15Å; N737-V740 PolarHBondContact O-N 3.19Å; V740-R742 PolarHBondContact O-N 2.9Å; V740-K743 PolarHBondContact O-N 2.91Å; V740-K743 VanDerWaalsContact O-N 3.14Å; V740-I744 HydrophobicContact CG1-CD1 3.94Å; V740-I744 HydrophobicContact CG1-CG1 4.41Å; V740-I744 WeakPolarHBondContact O-CG1 2.88Å; V740-I744 PolarHBondContact O-N 3.18Å
741C87.1Confident84.8Confident6 Ų641.7 Ų41.74%0.04120%0.199CC..Hα-helixtrans-60.1-42177.6-690000112.4F451 N737 I744 A745F451-C741 HydrophobicContact CD1-CB 3.91Å; F451-C741 HydrophobicContact CD2-CB 4.01Å; F451-C741 HydrophobicContact CE1-CB 3.95Å; F451-C741 HydrophobicContact CE2-CB 4.03Å; F451-C741 WeakPolarHBondContact CE2-O 3.41Å; F451-C741 HydrophobicContact CG-CB 3.95Å; F451-C741 HydrophobicContact CZ-CB 4.01Å; F451-C741 WeakPolarHBondContact CZ-O 3.26Å; N737-C741 WeakPolarHBondContact O-CB 3.44Å; N737-C741 PolarHBondContact O-N 2.89Å; N737-C741 PolarHBondContact O-SG 2.73Å; C741-I744 PolarHBondContact O-N 3.26Å; C741-A745 PolarHBondContact O-N 3.49Å
742R86.1Confident84.1Confident157 Ų15747.8 Ų47.859%0.59223%0.226SC*.Hα-helixtrans-61.2-45.1173.2-71.2168.2-159.5-169.69.4111.4Q738 K739 V740 A745 T746Q738-R742 WeakPolarHBondContact O-CB 3.34Å; Q738-R742 WeakPolarHBondContact O-CD 3.5Å; Q738-R742 WeakPolarHBondContact O-CG 3.3Å; Q738-R742 PolarHBondContact O-N 2.87Å; K739-R742 PolarHBondContact O-N 3.47Å; V740-R742 PolarHBondContact O-N 2.9Å; R742-A745 WeakPolarHBondContact O-CB 3.25Å; R742-A745 PolarHBondContact O-N 2.94Å; R742-A745 VanDerWaalsContact O-N 3.16Å; R742-T746 PolarHBondContact O-N 3.49Å; R742-T746 PolarHBondContact O-OG1 3.03Å
743K85.6Confident83.7Confident12 Ų1253.9 Ų53.95%0.05226%0.255CS..Hα-helixtrans-65.8-35.3179.5-75.4173.1163.5-141.80113.5P617 P619 E624 K739 V740 A745 T746 H747P617-K743 HydrophobicContact CB-CD 4.39Å; P617-K743 PolarHBondContact O-NZ 3.37Å; P619-K743 VanDerWaalsContact O-CD 3.26Å; P619-K743 WeakPolarHBondContact O-CD 3.49Å; P619-K743 WeakPolarHBondContact O-CE 3.48Å; P619-K743 PolarHBondContact O-NZ 3.5Å; E624-K743 WeakPolarHBondContact OE1-CE 3.47Å; E624-K743 IonicContact OE1-NZ 2.77Å; E624-K743 PolarHBondContact OE1-NZ 3Å; E624-K743 IonicContact OE2-NZ 3.97Å; E624-K743 PolarHBondContact OE2-NZ 2.88Å; K739-K743 WeakPolarHBondContact O-CB 3.43Å; K739-K743 WeakPolarHBondContact O-CG 3.43Å; K739-K743 PolarHBondContact O-N 2.82Å; V740-K743 PolarHBondContact O-N 2.91Å; V740-K743 VanDerWaalsContact O-N 3.14Å; K743-A745 VanDerWaalsContact C-N 3.27Å; K743-A745 PolarHBondContact O-N 3.36Å; K743-T746 WeakPolarHBondContact CA-OG1 3.24Å; K743-T746 PolarHBondContact O-OG1 2.65Å; K743-H747 WeakPolarHBondContact O-CB 3.46Å; K743-H747 PolarHBondContact O-CD2 3.1Å; K743-H747 PolarHBondContact O-N 2.58Å; K743-H747 VanDerWaalsContact O-N 3.13Å
744I85.3Confident83.5Confident8 Ų854.2 Ų54.24%0.04126%0.257CS..Hα-helixtrans-58.1-40.9171.3-69.8164.9000111.1F451 C653 I729 V740 C741 G748 L749F451-I744 HydrophobicContact CE1-CB 4.46Å; F451-I744 HydrophobicContact CE1-CD1 4.44Å; F451-I744 HydrophobicContact CE1-CG2 4.25Å; F451-I744 HydrophobicContact CZ-CB 4.12Å; F451-I744 HydrophobicContact CZ-CG2 4.04Å; C653-I744 HydrophobicContact CB-CD1 4.23Å; C653-I744 HydrophobicContact CB-CG1 3.75Å; I729-I744 HydrophobicContact CD1-CD1 4.01Å; I729-I744 HydrophobicContact CG1-CD1 3.96Å; V740-I744 HydrophobicContact CG1-CD1 3.94Å; V740-I744 HydrophobicContact CG1-CG1 4.41Å; V740-I744 WeakPolarHBondContact O-CG1 2.88Å; V740-I744 PolarHBondContact O-N 3.18Å; C741-I744 PolarHBondContact O-N 3.26Å; I744-G748 PolarHBondContact O-N 3.05Å; I744-L749 HydrophobicContact CG1-CD1 4.22Å; I744-L749 PolarHBondContact O-N 3.44Å; I744-L749 VanDerWaalsContact O-N 3.16Å
745A83.6Confident83.2Confident22 Ų2252.9 Ų52.918%0.18225%0.247CC..Hα-helixtrans-74.6-50.1178.700000112.6F451 C741 R742 K743 H747 G748F451-A745 HydrophobicContact CE2-CB 4.29Å; C741-A745 PolarHBondContact O-N 3.49Å; R742-A745 WeakPolarHBondContact O-CB 3.25Å; R742-A745 PolarHBondContact O-N 2.94Å; R742-A745 VanDerWaalsContact O-N 3.16Å; K743-A745 VanDerWaalsContact C-N 3.27Å; K743-A745 PolarHBondContact O-N 3.36Å; A745-H747 PolarHBondContact O-N 3.47Å; A745-G748 PolarHBondContact O-N 2.96Å
746T83.4Confident82.9Confident99 Ų9952.7 Ų52.761%0.60725%0.246SC*.Hα-helixtrans-63.9-39-175.753.60000113.1R742 K743 G748R742-T746 PolarHBondContact O-N 3.49Å; R742-T746 PolarHBondContact O-OG1 3.03Å; K743-T746 WeakPolarHBondContact CA-OG1 3.24Å; K743-T746 PolarHBondContact O-OG1 2.65Å; T746-G748 VanDerWaalsContact C-N 3.27Å; T746-G748 PolarHBondContact O-N 2.81Å
747H80.3Confident82.7Confident63 Ų6356.1 Ų56.129%0.29226%0.264SS..THydrogen-bonded Turntrans-81.7-4.6175.1-68.3-96.7000113.1P619 F620 D621 K743 A745 L749P619-H747 HydrophobicContact CG-CB 4.32Å; F620-H747 PolarHBondContact O-CE1 2.94Å; D621-H747 IonicContact OD1-CD2 3.96Å; D621-H747 IonicContact OD1-CE1 2.68Å; D621-H747 IonicContact OD1-NE2 3.7Å; D621-H747 PolarHBondContact OD1-NE2 3.06Å; K743-H747 WeakPolarHBondContact O-CB 3.46Å; K743-H747 PolarHBondContact O-CD2 3.1Å; K743-H747 PolarHBondContact O-N 2.58Å; K743-H747 VanDerWaalsContact O-N 3.13Å; A745-H747 PolarHBondContact O-N 3.47Å; H747-L749 VanDerWaalsContact C-N 3.3Å; H747-L749 HydrophobicContact CB-CD2 3.83Å; H747-L749 HydrophobicContact CB-CG 4.11Å; H747-L749 PolarHBondContact O-N 3.09Å
748G78.4Confident82.3Confident1 Ų156.1 Ų56.11%0.0126%0.264CS..THydrogen-bonded Turntrans57.839.8178.400000113.2I744 A745 T746 C750 R751 S754I744-G748 PolarHBondContact O-N 3.05Å; A745-G748 PolarHBondContact O-N 2.96Å; T746-G748 VanDerWaalsContact C-N 3.27Å; T746-G748 PolarHBondContact O-N 2.81Å; G748-C750 PolarHBondContact O-N 3.37Å; G748-C750 VanDerWaalsContact O-N 3.14Å; G748-R751 VanDerWaalsContact O-CB 3.3Å; G748-R751 WeakPolarHBondContact O-CB 3.43Å; G748-R751 VanDerWaalsContact O-CG 3.29Å; G748-R751 WeakPolarHBondContact O-CG 3.46Å; G748-R751 PolarHBondContact O-N 3.36Å; G748-S754 PolarHBondContact O-OG 3.26Å
749L79.3Confident82.1Confident3 Ų354.9 Ų54.92%0.01626%0.259CS..THydrogen-bonded Turntrans-61-27.4-171.1-63-174000113.6P619 Q650 C653 I744 H747 R751 S754 L755P619-L749 HydrophobicContact CG-CD1 3.85Å; P619-L749 HydrophobicContact CG-CD2 4.03Å; P619-L749 HydrophobicContact CG-CG 4.38Å; Q650-L749 VanDerWaalsContact O-CD2 3.26Å; Q650-L749 WeakPolarHBondContact O-CD2 3.39Å; C653-L749 HydrophobicContact CB-CD1 3.73Å; I744-L749 HydrophobicContact CG1-CD1 4.22Å; I744-L749 PolarHBondContact O-N 3.44Å; I744-L749 VanDerWaalsContact O-N 3.16Å; H747-L749 VanDerWaalsContact C-N 3.3Å; H747-L749 HydrophobicContact CB-CD2 3.83Å; H747-L749 HydrophobicContact CB-CG 4.11Å; H747-L749 PolarHBondContact O-N 3.09Å; L749-R751 VanDerWaalsContact C-N 3.31Å; L749-R751 PolarHBondContact O-N 3.5Å; L749-S754 WeakPolarHBondContact O-CB 3.34Å; L749-L755 WeakPolarHBondContact O-CD2 3.37Å; L749-L755 WeakPolarHBondContact O-CG 3.38Å
750C76.4Confident81.9Confident11 Ų1156.9 Ų56.97%0.07427%0.27CS..THydrogen-bonded Turntrans-85.62.8179.1-58.10000114L458 Q461 L500 G748 L755L458-C750 HydrophobicContact CD2-CB 3.36Å; L458-C750 WeakPolarHBondContact CD2-SG 3.46Å; Q461-C750 PolarHBondContact NE2-O 2.98Å; L500-C750 HydrophobicContact CD2-CB 4.37Å; G748-C750 PolarHBondContact O-N 3.37Å; G748-C750 VanDerWaalsContact O-N 3.14Å; C750-L755 VanDerWaalsContact O-CD1 3.23Å; C750-L755 WeakPolarHBondContact O-CD1 3.47Å
751R78.6Confident81.7Confident130 Ų13057.5 Ų57.549%0.49127%0.274SS..SBendtrans-68.7144.6172.6-66.8175.1-177.8170.45.2110D457 G748 L749 E753 S754 L755D457-R751 IonicContact OD1-NH2 3.18Å; D457-R751 PolarHBondContact OD1-NH2 3.35Å; G748-R751 VanDerWaalsContact O-CB 3.3Å; G748-R751 WeakPolarHBondContact O-CB 3.43Å; G748-R751 VanDerWaalsContact O-CG 3.29Å; G748-R751 WeakPolarHBondContact O-CG 3.46Å; G748-R751 PolarHBondContact O-N 3.36Å; L749-R751 VanDerWaalsContact C-N 3.31Å; L749-R751 PolarHBondContact O-N 3.5Å; R751-E753 PolarHBondContact O-N 3.42Å; R751-E753 VanDerWaalsContact O-N 3.08Å; R751-S754 WeakPolarHBondContact O-CB 3.25Å; R751-S754 PolarHBondContact O-N 2.9Å; R751-L755 WeakPolarHBondContact O-CG 3.47Å; R751-L755 PolarHBondContact O-N 2.77Å
752K74.3Confident81.6Confident137 Ų13757.9 Ų57.960%0.59628%0.277SS*.Hα-helixtrans-48.9-39.2-177.1-166.5173.1-178.9177.80114.6Q756K752-Q756 VanDerWaalsContact O-CG 3.31Å; K752-Q756 WeakPolarHBondContact O-CG 3.48Å; K752-Q756 PolarHBondContact O-N 3.3Å; K752-Q756 VanDerWaalsContact O-N 3.11Å
753E78.4Confident81.5Confident152 Ų15256.4 Ų56.471%0.7127%0.271SS*.Hα-helixtrans-70.1-51.4178.4-64173.3176.600111.1R751 L755 Q756 N757R751-E753 PolarHBondContact O-N 3.42Å; R751-E753 VanDerWaalsContact O-N 3.08Å; E753-L755 VanDerWaalsContact C-N 3.28Å; E753-L755 PolarHBondContact O-N 2.9Å; E753-Q756 WeakPolarHBondContact O-CB 3.27Å; E753-Q756 PolarHBondContact O-N 3.4Å; E753-N757 PolarHBondContact O-N 3.12Å
754S80.2Confident81.6Confident20 Ų2060.3 Ų60.314%0.1429%0.288CS..Hα-helixtrans-53.2-44173.4-48.30000112.1G748 L749 R751 Q756 N757 L758G748-S754 PolarHBondContact O-OG 3.26Å; L749-S754 WeakPolarHBondContact O-CB 3.34Å; R751-S754 WeakPolarHBondContact O-CB 3.25Å; R751-S754 PolarHBondContact O-N 2.9Å; S754-Q756 VanDerWaalsContact C-N 3.33Å; S754-Q756 PolarHBondContact O-N 2.94Å; S754-N757 PolarHBondContact O-N 3.06Å; S754-L758 VanDerWaalsContact O-CB 3.3Å; S754-L758 WeakPolarHBondContact O-CB 3.49Å; S754-L758 PolarHBondContact O-N 2.67Å
755L80.2Confident81.6Confident8 Ų860.2 Ų60.24%0.04229%0.288CS..Hα-helixtrans-70.6-24.3177.8-66176.4000113.5L500 Q520 I522 L749 C750 R751 E753 L758 L759L500-L755 HydrophobicContact CD1-CD1 4.07Å; L500-L755 HydrophobicContact CD1-CD2 3.73Å; Q520-L755 VanDerWaalsContact NE2-CB 3.31Å; Q520-L755 PolarHBondContact NE2-O 3.37Å; I522-L755 HydrophobicContact CD1-CD2 4.16Å; I522-L755 HydrophobicContact CG1-CD2 4.32Å; L749-L755 WeakPolarHBondContact O-CD2 3.37Å; L749-L755 WeakPolarHBondContact O-CG 3.38Å; C750-L755 VanDerWaalsContact O-CD1 3.23Å; C750-L755 WeakPolarHBondContact O-CD1 3.47Å; R751-L755 WeakPolarHBondContact O-CG 3.47Å; R751-L755 PolarHBondContact O-N 2.77Å; E753-L755 VanDerWaalsContact C-N 3.28Å; E753-L755 PolarHBondContact O-N 2.9Å; L755-L758 HydrophobicContact CD2-CD2 3.76Å; L755-L759 WeakPolarHBondContact O-CB 3.47Å; L755-L759 PolarHBondContact O-N 2.97Å
756Q80.9Confident81.8Confident111 Ų11159.9 Ų59.952%0.51928%0.284SS..Hα-helixtrans-76.7-40.6171.5-78.9178.1-2.800111.4K752 E753 S754 L759 H760K752-Q756 VanDerWaalsContact O-CG 3.31Å; K752-Q756 WeakPolarHBondContact O-CG 3.48Å; K752-Q756 PolarHBondContact O-N 3.3Å; K752-Q756 VanDerWaalsContact O-N 3.11Å; E753-Q756 WeakPolarHBondContact O-CB 3.27Å; E753-Q756 PolarHBondContact O-N 3.4Å; S754-Q756 VanDerWaalsContact C-N 3.33Å; S754-Q756 PolarHBondContact O-N 2.94Å; Q756-L759 PolarHBondContact O-N 3.29Å; Q756-H760 PolarHBondContact O-N 3.15Å
757N83.3Confident82Confident78 Ų7860.3 Ų60.342%0.41728%0.282SS..Hα-helixtrans-62.5-47.3172.6-69.1-7.7000111H651 E753 S754 L759 H760 S761H651-N757 VanDerWaalsContact CD2-CB 3.45Å; H651-N757 WeakPolarHBondContact CD2-CB 3.29Å; H651-N757 WeakPolarHBondContact NE2-CB 3.22Å; H651-N757 PolarHBondContact NE2-ND2 2.94Å; E753-N757 PolarHBondContact O-N 3.12Å; S754-N757 PolarHBondContact O-N 3.06Å; N757-L759 VanDerWaalsContact C-N 3.31Å; N757-L759 PolarHBondContact O-N 3.41Å; N757-H760 WeakPolarHBondContact O-CA 3.45Å; N757-H760 WeakPolarHBondContact O-CB 3.22Å; N757-H760 PolarHBondContact O-N 2.96Å; N757-S761 PolarHBondContact O-N 3.06Å; N757-S761 PolarHBondContact O-OG 2.67Å
758L83.8Confident82.3Confident4 Ų460.1 Ų60.12%0.02128%0.281CS..Hα-helixtrans-49.1-49.5171.5170.362.5000111.9I522 H651 L652 S754 L755 H760 S761 S762I522-L758 HydrophobicContact CG1-CD2 3.8Å; H651-L758 HydrophobicContact CB-CB 4.34Å; L652-L758 HydrophobicContact CD2-CD1 3.33Å; L652-L758 HydrophobicContact CG-CD1 3.69Å; S754-L758 VanDerWaalsContact O-CB 3.3Å; S754-L758 WeakPolarHBondContact O-CB 3.49Å; S754-L758 PolarHBondContact O-N 2.67Å; L755-L758 HydrophobicContact CD2-CD2 3.76Å; L758-H760 VanDerWaalsContact C-N 3.29Å; L758-H760 PolarHBondContact O-N 3.17Å; L758-S761 PolarHBondContact O-N 3.1Å; L758-S762 VanDerWaalsContact O-CB 3.3Å; L758-S762 WeakPolarHBondContact O-CB 3.4Å; L758-S762 PolarHBondContact O-N 3.21Å; L758-S762 PolarHBondContact O-OG 3.37Å
759L82.2Confident82.8Confident46 Ų4660 Ų6024%0.24128%0.281CS..Hα-helixtrans-61.4-35.9178.9-179.9154.1000112.6C517 Q520 L755 Q756 N757 R763C517-L759 VanDerWaalsContact O-CD1 3.24Å; C517-L759 WeakPolarHBondContact O-CD1 3.31Å; Q520-L759 HydrophobicContact CG-CD1 4.46Å; L755-L759 WeakPolarHBondContact O-CB 3.47Å; L755-L759 PolarHBondContact O-N 2.97Å; Q756-L759 PolarHBondContact O-N 3.29Å; N757-L759 VanDerWaalsContact C-N 3.31Å; N757-L759 PolarHBondContact O-N 3.41Å; L759-R763 WeakPolarHBondContact O-CB 3.42Å; L759-R763 WeakPolarHBondContact O-CD 3.4Å; L759-R763 VanDerWaalsContact O-CG 3.27Å; L759-R763 WeakPolarHBondContact O-CG 3.19Å; L759-R763 PolarHBondContact O-N 3.26Å
760H83.9Confident83.2Confident127 Ų12763.2 Ų63.259%0.58830%0.297SS*.Hα-helixtrans-70.4-47.4173.8-178.185000111.8Q756 N757 L758 R763 K764Q756-H760 PolarHBondContact O-N 3.15Å; N757-H760 WeakPolarHBondContact O-CA 3.45Å; N757-H760 WeakPolarHBondContact O-CB 3.22Å; N757-H760 PolarHBondContact O-N 2.96Å; L758-H760 VanDerWaalsContact C-N 3.29Å; L758-H760 PolarHBondContact O-N 3.17Å; H760-R763 PolarHBondContact O-N 3.32Å; H760-K764 WeakPolarHBondContact O-CB 3.45Å; H760-K764 PolarHBondContact O-N 3.44Å
761S84.8Confident83.7Confident12 Ų1268.1 Ų68.18%0.08432%0.323CS..Hα-helixtrans-68.3-41.4-177.1-69.60000112.9D648 N757 L758 R763 K764 L765D648-S761 VanDerWaalsContact OD2-CB 3.25Å; D648-S761 WeakPolarHBondContact OD2-CB 3.48Å; D648-S761 PolarHBondContact OD2-OG 3.35Å; N757-S761 PolarHBondContact O-N 3.06Å; N757-S761 PolarHBondContact O-OG 2.67Å; L758-S761 PolarHBondContact O-N 3.1Å; S761-R763 PolarHBondContact O-N 3.1Å; S761-K764 WeakPolarHBondContact O-CB 3.5Å; S761-K764 PolarHBondContact O-N 2.89Å; S761-L765 WeakPolarHBondContact O-CB 3.49Å; S761-L765 PolarHBondContact O-N 3.31Å
762S84.6Confident84.2Confident14 Ų1462.7 Ų62.710%0.09830%0.303CS..Hα-helixtrans-60.6-41.5172.6-69.20000112.3L758 S766L758-S762 VanDerWaalsContact O-CB 3.3Å; L758-S762 WeakPolarHBondContact O-CB 3.4Å; L758-S762 PolarHBondContact O-N 3.21Å; L758-S762 PolarHBondContact O-OG 3.37Å; S762-S766 WeakPolarHBondContact O-CB 3.28Å; S762-S766 PolarHBondContact O-N 3.34Å; S762-S766 PolarHBondContact O-OG 3.27Å
763R84.3Confident84.8Confident126 Ų12656.3 Ų56.348%0.47528%0.276SS..Hα-helixtrans-63.8-44.4173.5-77.8174.3171.4-179-3.3112.2C517 L759 H760 S761 S766 L767C517-R763 VanDerWaalsContact CB-NH2 3.34Å; C517-R763 PolarHBondContact SG-NE 3.2Å; C517-R763 PolarHBondContact SG-NH2 3.07Å; L759-R763 WeakPolarHBondContact O-CB 3.42Å; L759-R763 WeakPolarHBondContact O-CD 3.4Å; L759-R763 VanDerWaalsContact O-CG 3.27Å; L759-R763 WeakPolarHBondContact O-CG 3.19Å; L759-R763 PolarHBondContact O-N 3.26Å; H760-R763 PolarHBondContact O-N 3.32Å; S761-R763 PolarHBondContact O-N 3.1Å; R763-S766 PolarHBondContact O-N 3.09Å; R763-L767 WeakPolarHBondContact O-CG 3.48Å; R763-L767 PolarHBondContact O-N 3.39Å
764K87Confident85.2Confident94 Ų9453 Ų5341%0.40926%0.26SS..Hα-helixtrans-61.4-45.3177.3176.6-173.5170.4-164.70111.6H760 S761 L767 Q768H760-K764 WeakPolarHBondContact O-CB 3.45Å; H760-K764 PolarHBondContact O-N 3.44Å; S761-K764 WeakPolarHBondContact O-CB 3.5Å; S761-K764 PolarHBondContact O-N 2.89Å; K764-L767 PolarHBondContact O-N 2.94Å; K764-Q768 WeakPolarHBondContact O-CG 3.29Å; K764-Q768 PolarHBondContact O-N 2.95Å
765L86.6Confident85.4Confident7 Ų755 Ų554%0.03727%0.274CS..Hα-helixtrans-61.8-47.9175.3-179.761.7000111.2F534 Y537 V647 F727 S761 L767 Q768 V769F534-L765 HydrophobicContact CE2-CD1 4.19Å; Y537-L765 HydrophobicContact CE1-CD1 4.09Å; V647-L765 HydrophobicContact CB-CD1 4.39Å; V647-L765 HydrophobicContact CG1-CD1 3.86Å; V647-L765 HydrophobicContact CG1-CD2 3.75Å; V647-L765 HydrophobicContact CG1-CG 4.45Å; V647-L765 HydrophobicContact CG2-CD1 4.3Å; F727-L765 HydrophobicContact CE2-CD2 4.39Å; F727-L765 HydrophobicContact CZ-CD2 4.23Å; S761-L765 WeakPolarHBondContact O-CB 3.49Å; S761-L765 PolarHBondContact O-N 3.31Å; L765-L767 VanDerWaalsContact C-N 3.34Å; L765-L767 PolarHBondContact O-N 3.43Å; L765-Q768 PolarHBondContact O-N 2.72Å; L765-Q768 VanDerWaalsContact O-N 3.11Å; L765-V769 HydrophobicContact CD1-CG2 4.12Å; L765-V769 HydrophobicContact CG-CG2 4.41Å; L765-V769 WeakPolarHBondContact O-CG2 3.24Å; L765-V769 PolarHBondContact O-N 2.93Å
766S86.6Confident85.4Confident14 Ų1456.4 Ų56.410%0.09828%0.28CS..Hα-helixtrans-57.1-46.4178.7-59.10000111.8S762 R763 Q768 V769 L770S762-S766 WeakPolarHBondContact O-CB 3.28Å; S762-S766 PolarHBondContact O-N 3.34Å; S762-S766 PolarHBondContact O-OG 3.27Å; R763-S766 PolarHBondContact O-N 3.09Å; S766-Q768 PolarHBondContact O-N 2.82Å; S766-V769 PolarHBondContact O-N 3Å; S766-L770 WeakPolarHBondContact O-CB 3.31Å; S766-L770 VanDerWaalsContact O-CG 3.23Å; S766-L770 WeakPolarHBondContact O-CG 3.37Å; S766-L770 PolarHBondContact O-N 3.29Å
767L87.6Confident85.1Confident109 Ų10953.2 Ų53.257%0.57127%0.265SS*.Hα-helixtrans-64.1-37.7176.3-70.6171.1000112.6R763 K764 L765 N771R763-L767 WeakPolarHBondContact O-CG 3.48Å; R763-L767 PolarHBondContact O-N 3.39Å; K764-L767 PolarHBondContact O-N 2.94Å; L765-L767 VanDerWaalsContact C-N 3.34Å; L765-L767 PolarHBondContact O-N 3.43Å; L767-N771 VanDerWaalsContact O-CB 3.29Å; L767-N771 WeakPolarHBondContact O-CB 3.45Å; L767-N771 PolarHBondContact O-N 3.04Å; L767-N771 PolarHBondContact O-ND2 3.32Å
768Q88.1Confident83.9Confident58 Ų5855.5 Ų55.527%0.27127%0.273SS..Hα-helixtrans-67-44.7176.2-73.4175-12.900112.3Y537 K764 L765 S766 N771 F772Y537-Q768 WeakPolarHBondContact OH-CB 3.45Å; Y537-Q768 PolarHBondContact OH-OE1 2.57Å; Y537-Q768 VanDerWaalsContact OH-OE1 3.09Å; K764-Q768 WeakPolarHBondContact O-CG 3.29Å; K764-Q768 PolarHBondContact O-N 2.95Å; L765-Q768 PolarHBondContact O-N 2.72Å; L765-Q768 VanDerWaalsContact O-N 3.11Å; S766-Q768 PolarHBondContact O-N 2.82Å; Q768-N771 PolarHBondContact O-N 3.38Å; Q768-F772 WeakPolarHBondContact O-CB 3.26Å; Q768-F772 PolarHBondContact O-N 3.09Å
769V86.9Confident82Confident0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-65.1-45.5178173.70000110.7I526 E528 V529 F534 Y537 L765 S766 N771 F772 V773I526-V769 HydrophobicContact CD1-CB 4.4Å; I526-V769 HydrophobicContact CD1-CG1 4.37Å; E528-V769 HydrophobicContact CB-CG1 3.79Å; V529-V769 HydrophobicContact CG2-CG2 4.43Å; F534-V769 HydrophobicContact CD2-CG2 3.84Å; F534-V769 HydrophobicContact CE2-CG2 3.87Å; Y537-V769 HydrophobicContact CD1-CG2 3.82Å; Y537-V769 HydrophobicContact CE1-CG2 3.9Å; Y537-V769 HydrophobicContact CG-CG2 4.28Å; L765-V769 HydrophobicContact CD1-CG2 4.12Å; L765-V769 HydrophobicContact CG-CG2 4.41Å; L765-V769 WeakPolarHBondContact O-CG2 3.24Å; L765-V769 PolarHBondContact O-N 2.93Å; S766-V769 PolarHBondContact O-N 3Å; V769-N771 PolarHBondContact O-N 2.97Å; V769-F772 WeakPolarHBondContact O-CB 3.37Å; V769-F772 PolarHBondContact O-N 3.1Å; V769-V773 HydrophobicContact CG1-CG2 4.39Å; V769-V773 WeakPolarHBondContact O-CB 3.23Å; V769-V773 VanDerWaalsContact O-CG2 3.27Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 3.13Å
770L87.9Confident79.9Confident70 Ų7059.1 Ų59.137%0.36632%0.315SS..Hα-helixtrans-63.1-42177.6-70.3168.6000112.3I526 E528 S766 V773 H774I526-L770 HydrophobicContact CD1-CD1 4.25Å; I526-L770 HydrophobicContact CD1-CD2 4.23Å; I526-L770 HydrophobicContact CD1-CG 3.88Å; E528-L770 HydrophobicContact CG-CD2 4.15Å; S766-L770 WeakPolarHBondContact O-CB 3.31Å; S766-L770 VanDerWaalsContact O-CG 3.23Å; S766-L770 WeakPolarHBondContact O-CG 3.37Å; S766-L770 PolarHBondContact O-N 3.29Å; L770-V773 PolarHBondContact O-N 2.84Å; L770-H774 WeakPolarHBondContact O-CB 3.33Å; L770-H774 PolarHBondContact O-N 3.03Å
771N88.4Confident77.7Confident114 Ų11457.5 Ų57.561%0.6132%0.318SS*.Hα-helixtrans-64.4-39.5175-71.9-16.9000112.3L767 Q768 V769 H774 S775L767-N771 VanDerWaalsContact O-CB 3.29Å; L767-N771 WeakPolarHBondContact O-CB 3.45Å; L767-N771 PolarHBondContact O-N 3.04Å; L767-N771 PolarHBondContact O-ND2 3.32Å; Q768-N771 PolarHBondContact O-N 3.38Å; V769-N771 PolarHBondContact O-N 2.97Å; N771-H774 PolarHBondContact O-N 3Å; N771-S775 PolarHBondContact O-N 2.96Å
772F88.2Confident75.2Confident15 Ų1563.2 Ų63.27%0.06635%0.353CS..Hα-helixtrans-60.7-51.2174170.9-96.4000110.7W533 L536 Y537 H540 Q768 V769 H774 S775 F776 L819W533-F772 HydrophobicContact CE3-CE1 4.24Å; L536-F772 HydrophobicContact CB-CE1 4.33Å; L536-F772 HydrophobicContact CB-CZ 4.17Å; Y537-F772 HydrophobicContact CD2-CB 3.88Å; Y537-F772 AromaticContact CD2-CD1 3.97Å; Y537-F772 HydrophobicContact CD2-CD1 3.97Å; Y537-F772 AromaticContact CD2-CD2 3.83Å; Y537-F772 HydrophobicContact CD2-CD2 3.83Å; Y537-F772 HydrophobicContact CD2-CE1 4.43Å; Y537-F772 HydrophobicContact CD2-CE2 4.3Å; Y537-F772 AromaticContact CD2-CG 3.64Å; Y537-F772 HydrophobicContact CD2-CG 3.64Å; Y537-F772 HydrophobicContact CE2-CB 4.26Å; Y537-F772 HydrophobicContact CE2-CG 4.43Å; Y537-F772 HydrophobicContact CG-CD1 4.39Å; Y537-F772 HydrophobicContact CG-CG 4.49Å; H540-F772 HydrophobicContact CB-CE2 3.78Å; H540-F772 HydrophobicContact CB-CZ 4.27Å; H540-F772 AromaticContact CD2-CD2 3.93Å; H540-F772 AromaticContact CD2-CE2 3.71Å; H540-F772 AromaticContact CG-CE2 3.72Å; Q768-F772 WeakPolarHBondContact O-CB 3.26Å; Q768-F772 PolarHBondContact O-N 3.09Å; V769-F772 WeakPolarHBondContact O-CB 3.37Å; V769-F772 PolarHBondContact O-N 3.1Å; F772-H774 VanDerWaalsContact C-N 3.34Å; F772-H774 PolarHBondContact O-N 3.39Å; F772-S775 PolarHBondContact O-N 3.07Å; F772-S775 PolarHBondContact O-OG 3.45Å; F772-F776 AromaticContact CD2-CE2 3.93Å; F772-F776 HydrophobicContact CD2-CE2 3.93Å; F772-F776 HydrophobicContact CE1-CE2 4.44Å; F772-F776 HydrophobicContact CE2-CD2 4.43Å; F772-F776 AromaticContact CE2-CE2 3.59Å; F772-F776 HydrophobicContact CE2-CE2 3.59Å; F772-F776 HydrophobicContact CE2-CZ 4.44Å; F772-F776 HydrophobicContact CG-CE2 4.49Å; F772-F776 HydrophobicContact CZ-CD2 4.41Å; F772-F776 AromaticContact CZ-CE2 3.88Å; F772-F776 HydrophobicContact CZ-CE2 3.88Å; F772-F776 WeakPolarHBondContact O-CD2 3.27Å; F772-L819 HydrophobicContact CE2-CD2 3.87Å; F772-L819 HydrophobicContact CZ-CD2 3.63Å
773V87.4Confident72.6Confident4 Ų470.1 Ų70.12%0.02439%0.387CS..Hα-helixtrans-56.9-43.7177.3168.80000111.9W533 V769 L770 S775 F776 Q777 P806W533-V773 HydrophobicContact CB-CG2 3.73Å; W533-V773 HydrophobicContact CD2-CG1 4.47Å; W533-V773 HydrophobicContact CD2-CG2 3.85Å; W533-V773 HydrophobicContact CE3-CG2 4.34Å; W533-V773 HydrophobicContact CG-CG2 3.59Å; V769-V773 HydrophobicContact CG1-CG2 4.39Å; V769-V773 WeakPolarHBondContact O-CB 3.23Å; V769-V773 VanDerWaalsContact O-CG2 3.27Å; V769-V773 WeakPolarHBondContact O-CG2 3.31Å; V769-V773 PolarHBondContact O-N 3.13Å; L770-V773 PolarHBondContact O-N 2.84Å; V773-S775 PolarHBondContact O-N 2.95Å; V773-F776 PolarHBondContact O-N 3.03Å; V773-Q777 WeakPolarHBondContact O-CG 3.2Å; V773-P806 HydrophobicContact CG1-CG 3.78Å
774H85.7Confident70.1Confident83 Ų8372 Ų7238%0.38441%0.407SS..Hα-helixtrans-61.2-42178.3-162.4-94.3000112.7L770 N771 F772 F776 Q777 E778L770-H774 WeakPolarHBondContact O-CB 3.33Å; L770-H774 PolarHBondContact O-N 3.03Å; N771-H774 PolarHBondContact O-N 3Å; F772-H774 VanDerWaalsContact C-N 3.34Å; F772-H774 PolarHBondContact O-N 3.39Å; H774-F776 PolarHBondContact O-N 3.06Å; H774-F776 VanDerWaalsContact O-N 3.13Å; H774-Q777 WeakPolarHBondContact O-CA 3.38Å; H774-Q777 WeakPolarHBondContact O-CB 3.44Å; H774-Q777 PolarHBondContact O-N 2.82Å; H774-E778 IonicContact CE1-OE1 3.61Å; H774-E778 PolarHBondContact CE1-OE1 3Å; H774-E778 IonicContact ND1-OE1 2.79Å; H774-E778 PolarHBondContact ND1-OE1 2.87Å; H774-E778 PolarHBondContact O-N 3.4Å
775S84.9Confident67.5Low62 Ų6274.5 Ų74.543%0.43442%0.423SS..Hα-helixtrans-65.3-19-176.966.60000114.5N771 F772 V773N771-S775 PolarHBondContact O-N 2.96Å; F772-S775 PolarHBondContact O-N 3.07Å; F772-S775 PolarHBondContact O-OG 3.45Å; V773-S775 PolarHBondContact O-N 2.95Å
776F79.7Confident64.7Low37 Ų3783 Ų8316%0.16246%0.462CS..THydrogen-bonded Turntrans-95.21.2171.2-64.1-70.5000114.1W533 F772 V773 H774 L812 L819W533-F776 HydrophobicContact CH2-CB 3.87Å; W533-F776 HydrophobicContact CZ3-CB 4.05Å; W533-F776 HydrophobicContact CZ3-CD2 4.31Å; W533-F776 HydrophobicContact CZ3-CG 4.43Å; F772-F776 AromaticContact CD2-CE2 3.93Å; F772-F776 HydrophobicContact CD2-CE2 3.93Å; F772-F776 HydrophobicContact CE1-CE2 4.44Å; F772-F776 HydrophobicContact CE2-CD2 4.43Å; F772-F776 AromaticContact CE2-CE2 3.59Å; F772-F776 HydrophobicContact CE2-CE2 3.59Å; F772-F776 HydrophobicContact CE2-CZ 4.44Å; F772-F776 HydrophobicContact CG-CE2 4.49Å; F772-F776 HydrophobicContact CZ-CD2 4.41Å; F772-F776 AromaticContact CZ-CE2 3.88Å; F772-F776 HydrophobicContact CZ-CE2 3.88Å; F772-F776 WeakPolarHBondContact O-CD2 3.27Å; V773-F776 PolarHBondContact O-N 3.03Å; H774-F776 PolarHBondContact O-N 3.06Å; H774-F776 VanDerWaalsContact O-N 3.13Å; F776-L812 HydrophobicContact CB-CD1 4.13Å; F776-L812 HydrophobicContact CD1-CD1 3.85Å; F776-L812 HydrophobicContact CD1-CD2 3.5Å; F776-L812 HydrophobicContact CD1-CG 4.35Å; F776-L812 HydrophobicContact CD2-CD1 4.29Å; F776-L812 HydrophobicContact CE1-CD1 4.36Å; F776-L812 HydrophobicContact CE1-CD2 3.9Å; F776-L812 HydrophobicContact CG-CD1 3.81Å; F776-L812 HydrophobicContact CG-CD2 4.27Å; F776-L819 HydrophobicContact CE2-CD2 3.98Å; F776-L819 HydrophobicContact CZ-CD2 3.78Å; F776-L819 HydrophobicContact CZ-CG 4.36Å
777Q75.4Confident61.9Low44 Ų4488.2 Ų88.221%0.20649%0.494CS..THydrogen-bonded Turntrans-103.3-27.6176.2-68.91716.100113.4V773 H774 G779 A780 P806V773-Q777 WeakPolarHBondContact O-CG 3.2Å; H774-Q777 WeakPolarHBondContact O-CA 3.38Å; H774-Q777 WeakPolarHBondContact O-CB 3.44Å; H774-Q777 PolarHBondContact O-N 2.82Å; Q777-G779 PolarHBondContact O-N 2.76Å; Q777-A780 PolarHBondContact O-N 3.13Å; Q777-P806 VanDerWaalsContact NE2-CB 3.33Å
778E57.1Low58.8Low125 Ų12591 Ų9158%0.58450%0.504SS*.THydrogen-bonded Turntrans-58.9-4.6-178-73.917617600115.6H774 A780H774-E778 IonicContact CE1-OE1 3.61Å; H774-E778 PolarHBondContact CE1-OE1 3Å; H774-E778 IonicContact ND1-OE1 2.79Å; H774-E778 PolarHBondContact ND1-OE1 2.87Å; H774-E778 PolarHBondContact O-N 3.4Å; E778-A780 VanDerWaalsContact C-N 3.26Å; E778-A780 PolarHBondContact O-N 2.83Å
779G45.8Very low55.9Low51 Ų5194.7 Ų94.753%0.52653%0.533SS..THydrogen-bonded Turntrans-70.5-17.1166.700000114.6Q777 S781Q777-G779 PolarHBondContact O-N 2.76Å; G779-S781 PolarHBondContact O-N 3.21Å
780A37.3Very low53Low75 Ų7598.3 Ų98.362%0.6257%0.571SS**  trans-87.484178.900000111.1Q777 E778Q777-A780 PolarHBondContact O-N 3.13Å; E778-A780 VanDerWaalsContact C-N 3.26Å; E778-A780 PolarHBondContact O-N 2.83Å
781S38.1Very low49.9Very low93 Ų93105.4 Ų105.465%0.6560%0.599SS**  trans-148.1151.5176-83.60000113.1G779G779-S781 PolarHBondContact O-N 3.21Å
782T31.2Very low46.8Very low133 Ų133105.5 Ų105.582%0.81661%0.608SS**SBendtrans57.668.7172.361.40000117.2
783L31.1Very low43.9Very low158 Ų158109.8 Ų109.883%0.82764%0.641SS**SBendtrans-146.2-29.2157.2-116.2153.1000115.3
784D30.5Very low41Very low167 Ų167117.5 Ų117.589%0.89368%0.681SS**SBendtrans-9924.8178.4-71.9-49.5000115.1
785I33.6Very low38.2Very low145 Ų145122.1 Ų122.174%0.74471%0.707SS**  trans-122.574.8176.6-49.8-178.5000110.9
786H27.1Very low35.3Very low185 Ų185123.5 Ų123.586%0.85672%0.717SS**  trans-140.755.2169.1-86.6-43.4000113.7
787T27.6Very low32.8Very low125 Ų125131.4 Ų131.477%0.76775%0.754SS**SBendtrans-145.8145.8148.4-12.10000110.2
788E23.7Very low30.2Very low168 Ų168133.4 Ų133.479%0.78577%0.773SS**  trans56.9108172.5-57.8-54.610200118.9
789P27Very low29Very low134 Ų134131.3 Ų131.387%0.8777%0.772SS**  trans-88.4117172.233.3-30.7000112.8
790G24.4Very low28.5Very low77 Ų77138.7 Ų138.779%0.79479%0.786SS**  trans-142.3115.2174.900000113.1
791F24.7Very low28.3Very low218 Ų218138.3 Ų138.396%0.95678%0.783SS**  trans-79.3122.5-175.4-112.9-101.3000112.9
792S22.1Very low28.2Very low116 Ų116140.1 Ų140.181%0.81179%0.785SS**  trans18051.3148.2-173.80000113.6
793S27.1Very low29.1Very low106 Ų106141.1 Ų141.174%0.74178%0.782SS**  trans-100.584.5-174.3580000113.7
794L27.8Very low30.7Very low166 Ų166135.6 Ų135.687%0.86976%0.764SS**SBendtrans-147.9-4.3170.8-106.5178.1000116.6
795L26.7Very low32.7Very low179 Ų179129.1 Ų129.194%0.93773%0.73SS**SBendtrans-138.128.5-175.1-74.3176.9000114.6
796S23.3Very low34.9Very low91 Ų91124.1 Ų124.164%0.63671%0.707SS**  trans-10672.2177.157.60000112.2S798S796-S798 PolarHBondContact O-N 3.15Å
797Q27.3Very low37.5Very low204 Ų204119.8 Ų119.895%0.95369%0.69SS**  trans-7652.7164.9-73.7-173.8-34.400111S799Q797-S799 PolarHBondContact O-N 3.01Å
798S21.9Very low40.2Very low86 Ų86114.2 Ų114.260%0.60166%0.655SS**  trans-84.9106179.149.30000110.9S796S796-S798 PolarHBondContact O-N 3.15Å
799S30.3Very low42.9Very low80 Ų80108.7 Ų108.756%0.55964%0.639SS**  trans51.665.4151.9590000117.8Q797 A801Q797-S799 PolarHBondContact O-N 3.01Å; S799-A801 PolarHBondContact O-N 3.35Å
800Y35Very low45.6Very low206 Ų206105 Ų10581%0.80861%0.609SS**THydrogen-bonded Turntrans-65.1-11.5149.7-92.2-93.6000112.6D802Y800-D802 PolarHBondContact O-N 3.28Å
801A34Very low48.7Very low68 Ų68102.6 Ų102.656%0.56258%0.578SS**THydrogen-bonded Turntrans-69.8-22.1-171.300000115.7R512 S799R512-A801 PolarHBondContact NH1-O 3.48Å; S799-A801 PolarHBondContact O-N 3.35Å
802D36.3Very low51.7Low131 Ų13192.3 Ų92.370%0.70153%0.533SS*.SBendtrans-80.4-35-178.5-75.9-35.6000112.5R512 Y800R512-D802 PolarHBondContact NH2-O 3.12Å; Y800-D802 PolarHBondContact O-N 3.28Å
803M49.3Very low55Low154 Ų15487.9 Ų87.976%0.75950%0.5SS*.SBendtrans-73.4139.9-179.7-60.3-62.2-79.500111
804G64.1Low58Low42 Ų4283 Ų8343%0.43347%0.466SS..  trans-77.5-172.1174.700000113P806G804-P806 VanDerWaalsContact O-N 3.08Å
805V74.2Confident60.8Low30 Ų3079.2 Ų79.218%0.18244%0.442CS..SBendtrans-48.8117.3179.9-177.30000110.1P527 E528 W575P527-V805 HydrophobicContact CB-CG2 3.78Å; E528-V805 HydrophobicContact CG-CG1 4.48Å; W575-V805 HydrophobicContact CZ2-CG1 4.01Å; W575-V805 PolarHBondContact NE1-O 3.34Å
806P79.1Confident63.3Low40 Ų4077 Ų7726%0.2643%0.431SS..PPolyproline II helixtrans-75.3134.7-158.128.8-37.5000112.2W533 W575 V773 Q777 G804W533-P806 PolarHBondContact NE1-O 3.25Å; W575-P806 WeakPolarHBondContact CZ2-O 3.49Å; V773-P806 HydrophobicContact CG1-CG 3.78Å; Q777-P806 VanDerWaalsContact NE2-CB 3.33Å; G804-P806 VanDerWaalsContact O-N 3.08Å
807L82.6Confident66Low95 Ų9574 Ų7450%0.49742%0.415SS..PPolyproline II helixtrans-65.5149.7-173.9-72.7165.4000113.1W575 A599 A809W575-L807 HydrophobicContact CB-CD2 4.32Å; W575-L807 HydrophobicContact CD2-CD2 3.94Å; W575-L807 HydrophobicContact CG-CD2 3.68Å; A599-L807 HydrophobicContact CB-CD2 4.01Å; L807-A809 PolarHBondContact O-N 3.47Å
808P84.2Confident68.8Low7 Ų768.7 Ų68.75%0.04540%0.396CS..PPolyproline II helixtrans-70.7119.5174.829.1-34.2000111.3W533 L550 S552 W575 A599 K810W533-P808 HydrophobicContact CH2-CB 3.97Å; W533-P808 HydrophobicContact CZ2-CB 3.9Å; L550-P808 HydrophobicContact CD1-CG 4.19Å; L550-P808 HydrophobicContact CD2-CB 3.86Å; L550-P808 HydrophobicContact CD2-CG 4.01Å; L550-P808 HydrophobicContact CG-CB 4.23Å; L550-P808 HydrophobicContact CG-CG 4.07Å; S552-P808 WeakPolarHBondContact CB-O 3.5Å; W575-P808 HydrophobicContact CH2-CG 4.47Å; W575-P808 HydrophobicContact CZ3-CG 4.16Å; A599-P808 HydrophobicContact CB-CG 3.66Å; P808-K810 VanDerWaalsContact C-N 3.28Å
809A80.2Confident72Confident53 Ų5365.5 Ų65.544%0.43837%0.372SS..SBendtrans-73.9-20.7172.600000112.8L807L807-A809 PolarHBondContact O-N 3.47Å
810K83.9Confident74.8Confident55 Ų5564.3 Ų64.324%0.23936%0.364CS..SBendtrans-123.7149.8-175.8-69.1-179.4163-160.90111.3P808 L812 E821P808-K810 VanDerWaalsContact C-N 3.28Å; K810-L812 HydrophobicContact CB-CD2 4.13Å; K810-E821 HydrophobicContact CD-CG 4.35Å; K810-E821 WeakPolarHBondContact CD-OE1 3.46Å; K810-E821 VanDerWaalsContact CE-OE1 3.31Å; K810-E821 WeakPolarHBondContact CE-OE1 3.41Å; K810-E821 WeakPolarHBondContact CE-OE2 3.11Å; K810-E821 IonicContact NZ-OE1 3.64Å; K810-E821 IonicContact NZ-OE2 3.4Å; K810-E821 PolarHBondContact NZ-OE2 3.24Å
811N87.8Confident77.2Confident28 Ų2859.9 Ų59.915%0.1535%0.35CS..  trans-77.8131.3166-65-38.4000108.9L550 L551 S552 T555 W822L550-N811 CarbonylContact O-C 3.2Å; L550-N811 WeakPolarHBondContact O-CA 3.24Å; L551-N811 VanDerWaalsContact CA-OD1 3.28Å; L551-N811 WeakPolarHBondContact CA-OD1 3.4Å; L551-N811 HydrophobicContact CD2-CB 4.13Å; S552-N811 PolarHBondContact N-OD1 2.89Å; S552-N811 PolarHBondContact OG-OD1 2.94Å; T555-N811 PolarHBondContact OG1-ND2 2.63Å; T555-N811 PolarHBondContact OG1-OD1 2.62Å; N811-W822 HydrophobicContact CB-CB 4.01Å; N811-W822 HydrophobicContact CB-CE3 3.97Å; N811-W822 PolarHBondContact O-N 2.72Å
812L89.4Confident79.5Confident1 Ų158.7 Ų58.71%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-125.2133.9-176.1-55.6178.3000111W533 L536 L549 L550 F776 K810 L819 S820W533-L812 HydrophobicContact CH2-CD1 4.2Å; W533-L812 HydrophobicContact CZ3-CD1 3.74Å; L536-L812 HydrophobicContact CD1-CD1 4.14Å; L549-L812 CarbonylContact C-O 3.56Å; L549-L812 WeakPolarHBondContact CA-O 3.47Å; L550-L812 HydrophobicContact CB-CB 4.42Å; L550-L812 PolarHBondContact N-O 3.29Å; L550-L812 PolarHBondContact O-N 3.22Å; F776-L812 HydrophobicContact CB-CD1 4.13Å; F776-L812 HydrophobicContact CD1-CD1 3.85Å; F776-L812 HydrophobicContact CD1-CD2 3.5Å; F776-L812 HydrophobicContact CD1-CG 4.35Å; F776-L812 HydrophobicContact CD2-CD1 4.29Å; F776-L812 HydrophobicContact CE1-CD1 4.36Å; F776-L812 HydrophobicContact CE1-CD2 3.9Å; F776-L812 HydrophobicContact CG-CD1 3.81Å; F776-L812 HydrophobicContact CG-CD2 4.27Å; K810-L812 HydrophobicContact CB-CD2 4.13Å; L812-L819 HydrophobicContact CB-CD1 4.17Å; L812-S820 CarbonylContact C-O 3.56Å; L812-S820 WeakPolarHBondContact CA-O 3.26Å
813I91.3Very high81.3Confident24 Ų2457.2 Ų57.212%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-118.8127.7177.3-173.5170000110.2S548 L549 I563 S820 W822S548-I813 WeakPolarHBondContact O-CA 2.88Å; L549-I813 HydrophobicContact CD1-CB 3.97Å; L549-I813 HydrophobicContact CD1-CG1 4.38Å; I563-I813 HydrophobicContact CD1-CD1 3.91Å; I563-I813 HydrophobicContact CD1-CG1 4.19Å; I563-I813 HydrophobicContact CG2-CD1 4.46Å; I813-S820 WeakPolarHBondContact CG2-OG 3.27Å; I813-S820 PolarHBondContact N-O 3.22Å; I813-S820 PolarHBondContact O-N 2.99Å; I813-S820 PolarHBondContact O-OG 2.82Å; I813-W822 HydrophobicContact CB-CB 4.07Å; I813-W822 HydrophobicContact CB-CG 4.4Å; I813-W822 HydrophobicContact CG2-CB 3.96Å; I813-W822 HydrophobicContact CG2-CG 4.43Å
814F89.6Confident82Confident4 Ų452.2 Ų52.22%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-103.4117.4168.2-177.4-98.7000109.3Y539 S548 V818 L819Y539-F814 HydrophobicContact CD2-CD1 4.35Å; Y539-F814 HydrophobicContact CD2-CG 4.48Å; Y539-F814 HydrophobicContact CG-CD1 4.47Å; Y539-F814 HydrophobicContact CG-CE1 4.48Å; Y539-F814 WeakPolarHBondContact O-CE2 3.44Å; S548-F814 PolarHBondContact N-O 3.16Å; S548-F814 VanDerWaalsContact N-O 3.09Å; S548-F814 PolarHBondContact O-N 3.31Å; F814-V818 WeakPolarHBondContact CA-O 3.48Å; F814-L819 HydrophobicContact CB-CD1 4.05Å; F814-L819 HydrophobicContact CD2-CB 4.13Å
815K86.3Confident81.3Confident85 Ų8560.1 Ų60.137%0.3734%0.336SS..EExtended strand (participates in β ladder)trans-148.5145.8177.7-161-157.1179-820109.4I563 G817 V818I563-K815 HydrophobicContact CG2-CD 3.63Å; I563-K815 HydrophobicContact CG2-CG 4.02Å; K815-G817 PolarHBondContact O-N 3.45Å; K815-G817 VanDerWaalsContact O-N 3.07Å; K815-V818 PolarHBondContact N-O 3.28Å; K815-V818 PolarHBondContact O-N 3.25Å
816D79.8Confident79.6Confident132 Ų13262.5 Ų62.571%0.70635%0.354SS*.THydrogen-bonded Turntrans52.532.7173.5-47.1-29.2000114
817G79.9Confident77.4Confident30 Ų3066.6 Ų66.631%0.30938%0.381SS..THydrogen-bonded Turntrans83.71.1-177.900000115.9G543 K815G543-G817 VanDerWaalsContact O-CA 3.29Å; G543-G817 WeakPolarHBondContact O-CA 3.47Å; K815-G817 PolarHBondContact O-N 3.45Å; K815-G817 VanDerWaalsContact O-N 3.07Å
818V86.1Confident74.8Confident91 Ų9166.1 Ų66.155%0.55239%0.385SS*.EExtended strand (participates in β ladder)trans-117.5128.6-175.5-176.50000111.4F814 K815F814-V818 WeakPolarHBondContact CA-O 3.48Å; K815-V818 PolarHBondContact N-O 3.28Å; K815-V818 PolarHBondContact O-N 3.25Å
819L88.8Confident72.2Confident20 Ų2071.6 Ų71.611%0.10542%0.424CS..EExtended strand (participates in β ladder)trans-89.8127.8167.4-174.766.8000109.5L536 H540 F772 F776 L812 F814L536-L819 HydrophobicContact CD2-CD1 4.28Å; H540-L819 HydrophobicContact CB-CD2 4.29Å; F772-L819 HydrophobicContact CE2-CD2 3.87Å; F772-L819 HydrophobicContact CZ-CD2 3.63Å; F776-L819 HydrophobicContact CE2-CD2 3.98Å; F776-L819 HydrophobicContact CZ-CD2 3.78Å; F776-L819 HydrophobicContact CZ-CG 4.36Å; L812-L819 HydrophobicContact CB-CD1 4.17Å; F814-L819 HydrophobicContact CB-CD1 4.05Å; F814-L819 HydrophobicContact CD2-CB 4.13Å
820S88.1Confident69.9Low55 Ų5576 Ų7639%0.38544%0.439SS..EExtended strand (participates in β ladder)trans-148.8166.7-175.359.50000112.6L812 I813L812-S820 CarbonylContact C-O 3.56Å; L812-S820 WeakPolarHBondContact CA-O 3.26Å; I813-S820 WeakPolarHBondContact CG2-OG 3.27Å; I813-S820 PolarHBondContact N-O 3.22Å; I813-S820 PolarHBondContact O-N 2.99Å; I813-S820 PolarHBondContact O-OG 2.82Å
821E86.4Confident67.4Low112 Ų11280.8 Ų80.852%0.52347%0.466SS..EExtended strand (participates in β ladder)trans-81.1126.8179.9-174.6168.6-179.700111.8K810 S823K810-E821 HydrophobicContact CD-CG 4.35Å; K810-E821 WeakPolarHBondContact CD-OE1 3.46Å; K810-E821 VanDerWaalsContact CE-OE1 3.31Å; K810-E821 WeakPolarHBondContact CE-OE1 3.41Å; K810-E821 WeakPolarHBondContact CE-OE2 3.11Å; K810-E821 IonicContact NZ-OE1 3.64Å; K810-E821 IonicContact NZ-OE2 3.4Å; K810-E821 PolarHBondContact NZ-OE2 3.24Å; E821-S823 PolarHBondContact O-N 2.73Å
822W82.4Confident64.8Low44 Ų4487.8 Ų87.817%0.16750%0.502CS..  trans-89.2100.5-175.8-173.368.7000112.1L549 L551 T555 L557 P561 N811 I813 G824L549-W822 HydrophobicContact CD1-CB 3.97Å; L549-W822 HydrophobicContact CD1-CD2 3.88Å; L549-W822 HydrophobicContact CD1-CE3 4.26Å; L549-W822 HydrophobicContact CD1-CG 3.74Å; L551-W822 HydrophobicContact CD2-CE3 3.69Å; L551-W822 HydrophobicContact CD2-CZ3 3.73Å; T555-W822 HydrophobicContact CG2-CZ3 4.43Å; L557-W822 HydrophobicContact CD2-CH2 3.65Å; L557-W822 HydrophobicContact CD2-CZ3 4.07Å; P561-W822 HydrophobicContact CG-CZ2 3.93Å; N811-W822 HydrophobicContact CB-CB 4.01Å; N811-W822 HydrophobicContact CB-CE3 3.97Å; N811-W822 PolarHBondContact O-N 2.72Å; I813-W822 HydrophobicContact CB-CB 4.07Å; I813-W822 HydrophobicContact CB-CG 4.4Å; I813-W822 HydrophobicContact CG2-CB 3.96Å; I813-W822 HydrophobicContact CG2-CG 4.43Å; W822-G824 PolarHBondContact O-N 3.03Å; W822-G824 VanDerWaalsContact O-N 3.08Å
823S73.8Confident62Low99 Ų9991.6 Ų91.669%0.69253%0.534SS*.  trans-75.914.7-177.161.10000115.6E821 R825E821-S823 PolarHBondContact O-N 2.73Å; S823-R825 PolarHBondContact O-N 3.29Å; S823-R825 VanDerWaalsContact O-N 3.12Å
824G64.4Low59.1Low49 Ų4998.2 Ų98.251%0.50557%0.569SS.*SBendtrans69.25.2176.300000115.9W822W822-G824 PolarHBondContact O-N 3.03Å; W822-G824 VanDerWaalsContact O-N 3.08Å
825R49.9Very low56.4Low208 Ų208106 Ų10679%0.78561%0.61SS**SBendtrans-120141.2174.8-60.2-175.1-175.9-166.11.6109.4S823S823-R825 PolarHBondContact O-N 3.29Å; S823-R825 VanDerWaalsContact O-N 3.12Å
826S37.8Very low53.9Low80 Ų80111 Ų11156%0.55963%0.634SS**  trans-65.2144.9161.644.40000109.3S828S826-S828 PolarHBondContact O-N 3.23Å
827P32.5Very low51.6Low126 Ų126112.7 Ų112.782%0.81864%0.643SS**  trans-63.1113.1171.426.5-32.7000108.1S829P827-S829 PolarHBondContact O-N 2.94Å
828S27.8Very low49.3Very low85 Ų85124.2 Ų124.259%0.59469%0.688SS**  trans-60.8124.2-178.851.30000110.3S826 L830S826-S828 PolarHBondContact O-N 3.23Å; S828-L830 PolarHBondContact O-N 3.37Å
829S30.6Very low47.5Very low123 Ų123125.9 Ų125.986%0.8670%0.695SS**SBendtrans-72.441.8-174.4440000114.4P827P827-S829 PolarHBondContact O-N 2.94Å
830L30.9Very low45.3Very low146 Ų146131.4 Ų131.476%0.76473%0.726SS**  trans-121.316.8-172.5-75.2169000113.5S828S828-L830 PolarHBondContact O-N 3.37Å
831L31.6Very low42.9Very low154 Ų154135.7 Ų135.781%0.80675%0.745SS**  trans-126.134.4-179.6-90.5169.6000114.4
832I33.2Very low40.4Very low176 Ų176137.1 Ų137.190%0.90376%0.758SS**SBendtrans-119.341.1164.6-42.9-177.5000109.6
833A30.7Very low37.8Very low80 Ų80142.9 Ų142.966%0.66180%0.795SS**SBendtrans-148.444.4-17600000112.8
834N30.7Very low35.4Very low163 Ų163145.8 Ų145.887%0.87280%0.802SS**  trans-16358.7167.9-99.1-31.7000111.9
835L33.3Very low33.3Very low167 Ų167152.7 Ų152.787%0.87482%0.823SS**SBendtrans-137.324.5173-112.7170.5000113.4
836H33.5Very low32Very low190 Ų190148.5 Ų148.588%0.8883%0.826SS**SBendtrans-139.669.1173-94.615.8000109.5
837L32Very low31.5Very low168 Ų168154.2 Ų154.288%0.8885%0.849SS**  trans-177.864154.8-105163.6000113.3
838Q31.3Very low31.4Very low272 Ų272156.7 Ų156.7100%1.27185%0.851SS**  trans-174.60133.2-103.6173.71.400110.8

Retrieved 838 of 838 residues in 431.5 ms (Link to these results)

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