G4VD08_SCHMA Loading...

Putative ran gtpase-activating protein

AlphaFold DB , UniProt , Accession G4VD08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 744 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
1M44.6Very low51Low136 Ų136100.1 Ų100.167%0.6758%0.578SS**  092.90-166.2179.5-17600108.7V3M1-V3 HydrophobicContact CE-CG2 3.61Å; M1-V3 HydrophobicContact CG-CG2 3.84Å; M1-V3 HydrophobicContact SD-CG2 4.26Å
2V42.9Very low54.6Low86 Ų8694.8 Ų94.852%0.52155%0.548SS..  trans-97.398.5167.5179.60000106.7G4V2-G4 PolarHBondContact O-N 3.05Å
3V45.3Very low57.8Low110 Ų11088 Ų8867%0.66751%0.509SS*.  trans-84.188168-172.30000106.1M1M1-V3 HydrophobicContact CE-CG2 3.61Å; M1-V3 HydrophobicContact CG-CG2 3.84Å; M1-V3 HydrophobicContact SD-CG2 4.26Å
4G42.7Very low60.5Low41 Ų4182.6 Ų82.642%0.42348%0.479SS..SBendtrans166104.2179.400000114.8V2 N6V2-G4 PolarHBondContact O-N 3.05Å; G4-N6 PolarHBondContact O-N 3.39Å; G4-N6 VanDerWaalsContact O-N 3.14Å
5S38.4Very low62.9Low105 Ų10578.3 Ų78.373%0.73445%0.452SS*.  trans2769.7151.9620000117.3G7S5-G7 PolarHBondContact O-N 3.24Å
6N43.6Very low64.8Low102 Ų10274.8 Ų74.855%0.54544%0.435SS..SBendtrans-70.437.6156.9-93.51.2000111.9G4 Y8G4-N6 PolarHBondContact O-N 3.39Å; G4-N6 VanDerWaalsContact O-N 3.14Å; N6-Y8 HydrophobicContact CB-CD2 4.38Å; N6-Y8 WeakPolarHBondContact O-CD2 3.41Å; N6-Y8 VanDerWaalsContact O-CE2 3.28Å; N6-Y8 WeakPolarHBondContact O-CE2 3.34Å; N6-Y8 PolarHBondContact O-N 2.93Å
7G49.1Very low66.5Low68 Ų6877.6 Ų77.670%0.70145%0.448SS*.SBendtrans80.3-5.2-175.100000115.1S5S5-G7 PolarHBondContact O-N 3.24Å
8Y48.1Very low67.9Low95 Ų9579.1 Ų79.137%0.37345%0.45SS..  trans-111.6131.8-177.1-56.9-78.9000111.8N6 G10 R71N6-Y8 HydrophobicContact CB-CD2 4.38Å; N6-Y8 WeakPolarHBondContact O-CD2 3.41Å; N6-Y8 VanDerWaalsContact O-CE2 3.28Å; N6-Y8 WeakPolarHBondContact O-CE2 3.34Å; N6-Y8 PolarHBondContact O-N 2.93Å; Y8-G10 PolarHBondContact O-N 3.03Å; Y8-R71 VanDerWaalsContact CD2-NH1 3.29Å
9N55.8Low69.2Low182 Ų18279.3 Ų79.397%0.97346%0.463SS*.SBendtrans-71.817.8-172.7-76.8-18.6000115.8
10G64.5Low70.5Confident13 Ų1378 Ų7813%0.13445%0.454CS..SBendtrans-124.4153.9-172.200000114.4Y8 T12 E42Y8-G10 PolarHBondContact O-N 3.03Å; G10-T12 PolarHBondContact O-N 2.87Å; G10-T12 PolarHBondContact O-OG1 3.13Å; G10-E42 VanDerWaalsContact CA-OE2 3.28Å; G10-E42 WeakPolarHBondContact CA-OE2 3.29Å
11W86.4Confident71.7Confident163 Ų16381 Ų8162%0.61746%0.461SS*.  trans-67.8122.6178.2-70.845.7000109.3A41 E42 C43W11-A41 CarbonylContact O-C 3.55Å; W11-A41 WeakPolarHBondContact O-CA 3.35Å; W11-E42 PolarHBondContact O-N 3.47Å; W11-C43 PolarHBondContact O-N 3.2Å
12T93.9Very high74.2Confident36 Ų3674.7 Ų74.722%0.22143%0.43CS..EExtended strand (participates in β ladder)trans-114.9127-174.6-58.10000111G10 C43G10-T12 PolarHBondContact O-N 2.87Å; G10-T12 PolarHBondContact O-OG1 3.13Å; T12-C43 HydrophobicContact CG2-CB 3.86Å
13V95.9Very high76.8Confident7 Ų773.2 Ų73.24%0.04242%0.42CS..EExtended strand (participates in β ladder)trans-92.2104.3164.5175.90000107F15 A34 L35 N38 A41 C43 L44 N45V13-F15 HydrophobicContact CG1-CD2 4.26Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; V13-A34 HydrophobicContact CG1-CB 3.83Å; V13-L35 HydrophobicContact CB-CD2 4.39Å; V13-L35 HydrophobicContact CG1-CD2 4.33Å; V13-L35 HydrophobicContact CG1-CG 4.43Å; V13-L35 HydrophobicContact CG2-CD2 4.39Å; V13-N38 HydrophobicContact CG2-CB 3.88Å; V13-A41 HydrophobicContact CG2-CB 3.77Å; V13-C43 PolarHBondContact N-O 3.26Å; V13-L44 HydrophobicContact CB-CD1 4.29Å; V13-L44 HydrophobicContact CG1-CD1 4.03Å; V13-L44 WeakPolarHBondContact O-CA 3.37Å; V13-N45 PolarHBondContact O-N 3.48Å
14S95.4Very high79.2Confident12 Ų1274.7 Ų74.78%0.08442%0.417CS..EExtended strand (participates in β ladder)trans-121.1134.4-177.6-179.90000112.5A16 N45S14-A16 WeakPolarHBondContact OG-CB 3.41Å; S14-A16 PolarHBondContact OG-N 3.34Å; S14-N45 WeakPolarHBondContact CA-O 3.38Å
15F96.4Very high81.8Confident18 Ų1875.2 Ų75.28%0.07942%0.417CS..  trans-126.124.7168.5-67.9-97000110.7V13 N17 L20 D30 I31 A34 N45 L46 N49V13-F15 HydrophobicContact CG1-CD2 4.26Å; V13-F15 HydrophobicContact CG1-CE2 3.8Å; F15-N17 PolarHBondContact O-N 2.9Å; F15-L20 HydrophobicContact CB-CD1 4.23Å; F15-L20 HydrophobicContact CD1-CD1 3.99Å; F15-L20 HydrophobicContact CG-CD1 4.49Å; F15-D30 HydrophobicContact CE1-CB 4.08Å; F15-D30 HydrophobicContact CZ-CB 4.37Å; F15-I31 HydrophobicContact CD1-CG1 4.04Å; F15-I31 HydrophobicContact CD2-CB 4.49Å; F15-I31 HydrophobicContact CD2-CG1 3.78Å; F15-I31 HydrophobicContact CE1-CG1 4Å; F15-I31 HydrophobicContact CE2-CB 4.12Å; F15-I31 HydrophobicContact CE2-CG1 3.75Å; F15-I31 HydrophobicContact CE2-CG2 4.32Å; F15-I31 HydrophobicContact CG-CG1 3.93Å; F15-I31 HydrophobicContact CZ-CB 4.32Å; F15-I31 HydrophobicContact CZ-CG1 3.86Å; F15-A34 HydrophobicContact CE2-CB 3.89Å; F15-A34 HydrophobicContact CZ-CB 3.89Å; F15-N45 PolarHBondContact N-O 3.3Å; F15-L46 HydrophobicContact CB-CD2 4.29Å; F15-L46 HydrophobicContact CD2-CD2 4.33Å; F15-N49 PolarHBondContact O-ND2 2.86Å
16A94.5Very high84.7Confident22 Ų2273.2 Ų73.218%0.18241%0.407CS..THydrogen-bonded Turntrans-58.6133.4-175.300000112.5S14 H18 S47S14-A16 WeakPolarHBondContact OG-CB 3.41Å; S14-A16 PolarHBondContact OG-N 3.34Å; A16-H18 PolarHBondContact O-CD2 2.92Å; A16-H18 VanDerWaalsContact O-CD2 3.25Å; A16-H18 PolarHBondContact O-N 3.41Å; A16-S47 CarbonylContact C-O 3.33Å; A16-S47 VanDerWaalsContact CA-O 3.26Å; A16-S47 WeakPolarHBondContact CA-O 3.4Å; A16-S47 WeakPolarHBondContact CB-OG 3.41Å
17N92.2Very high87.2Confident123 Ų12371.5 Ų71.566%0.65840%0.398SS*.THydrogen-bonded Turntrans58.429.2172.7-53.8-35.5000114.3F15 A19 S47F15-N17 PolarHBondContact O-N 2.9Å; N17-A19 VanDerWaalsContact C-N 3.26Å; N17-S47 PolarHBondContact N-O 3.28Å
18H92.5Very high89.5Confident104 Ų10468.3 Ų68.348%0.48137%0.365SS..  trans-81.8-6.3173.3-78.8-153.2000112.6A16 L20A16-H18 PolarHBondContact O-CD2 2.92Å; A16-H18 VanDerWaalsContact O-CD2 3.25Å; A16-H18 PolarHBondContact O-N 3.41Å; H18-L20 HydrophobicContact CB-CD1 4.13Å; H18-L20 HydrophobicContact CB-CD2 4.07Å; H18-L20 HydrophobicContact CB-CG 3.65Å; H18-L20 PolarHBondContact O-N 3.28Å
19A92.6Very high91.9Very high84 Ų8468 Ų6869%0.69437%0.37SS*.  trans53.136.5-174.400000112.5N17 G48 N49N17-A19 VanDerWaalsContact C-N 3.26Å; A19-G48 PolarHBondContact N-O 3.32Å; A19-N49 PolarHBondContact N-OD1 3.43Å
20L95.3Very high93.9Very high53 Ų5365.1 Ų65.128%0.27735%0.354SS..  trans-69133.5178.8-60.4174.8000109.9F15 H18 L22 N49 T50F15-L20 HydrophobicContact CB-CD1 4.23Å; F15-L20 HydrophobicContact CD1-CD1 3.99Å; F15-L20 HydrophobicContact CG-CD1 4.49Å; H18-L20 HydrophobicContact CB-CD1 4.13Å; H18-L20 HydrophobicContact CB-CD2 4.07Å; H18-L20 HydrophobicContact CB-CG 3.65Å; H18-L20 PolarHBondContact O-N 3.28Å; L20-L22 HydrophobicContact CB-CD2 4.01Å; L20-L22 HydrophobicContact CB-CG 4.03Å; L20-L22 HydrophobicContact CD1-CD2 4.36Å; L20-N49 HydrophobicContact CB-CB 4.32Å; L20-N49 WeakPolarHBondContact CB-OD1 3.49Å; L20-N49 WeakPolarHBondContact CG-OD1 3.17Å; L20-N49 PolarHBondContact N-OD1 2.97Å; L20-T50 PolarHBondContact O-N 2.99Å
21K96Very high95.4Very high140 Ų14064.6 Ų64.661%0.60935%0.348SS*.EExtended strand (participates in β ladder)trans-102.694.2170.5-161.1-179-179-176.20109.2D23 T50K21-D23 WeakPolarHBondContact CE-OD2 3.19Å; K21-D23 IonicContact NZ-OD2 3.94Å; K21-D23 PolarHBondContact O-N 3.05Å; K21-T50 HydrophobicContact CG-CG2 4.5Å
22L97.3Very high96Very high4 Ų458.5 Ų58.52%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-91.379-174.2-56.9172.5000109.2L20 D27 I31 T50 L51 G52 A55 I59 R81L20-L22 HydrophobicContact CB-CD2 4.01Å; L20-L22 HydrophobicContact CB-CG 4.03Å; L20-L22 HydrophobicContact CD1-CD2 4.36Å; L22-D27 HydrophobicContact CD2-CB 4.04Å; L22-D27 VanDerWaalsContact CD2-O 3.22Å; L22-D27 WeakPolarHBondContact CD2-O 3.27Å; L22-I31 HydrophobicContact CD1-CD1 3.53Å; L22-I31 HydrophobicContact CD2-CD1 4.16Å; L22-T50 PolarHBondContact N-O 3.39Å; L22-L51 HydrophobicContact CB-CD1 3.95Å; L22-L51 HydrophobicContact CD1-CD1 3.84Å; L22-G52 PolarHBondContact O-N 2.94Å; L22-A55 HydrophobicContact CB-CB 3.68Å; L22-A55 WeakPolarHBondContact O-CB 3.1Å; L22-I59 HydrophobicContact CD1-CD1 4.44Å; L22-R81 VanDerWaalsContact C-NH2 3.31Å; L22-R81 PolarHBondContact O-NH2 3.12Å
23D96Very high96.2Very high55 Ų5560 Ų6029%0.29434%0.341SS..  trans-86.2-46.8-175.9-71.3-26.9000111.3K21 D27 R81K21-D23 WeakPolarHBondContact CE-OD2 3.19Å; K21-D23 IonicContact NZ-OD2 3.94Å; K21-D23 PolarHBondContact O-N 3.05Å; D23-D27 PolarHBondContact N-OD2 3.26Å; D23-R81 IonicContact OD1-CZ 3.63Å; D23-R81 IonicContact OD1-NH1 2.62Å; D23-R81 PolarHBondContact OD1-NH1 3.34Å; D23-R81 IonicContact OD1-NH2 3.62Å; D23-R81 PolarHBondContact OD1-NH2 3.44Å
24K97.3Very high96.2Very high141 Ų14160.2 Ų60.261%0.61334%0.344SS*.SBendtrans-112.8160.9-171.4-59.6174.2-174.51730110.7A26 D27 A55K24-A26 PolarHBondContact O-N 3.45Å; K24-A26 VanDerWaalsContact O-N 3.1Å; K24-D27 PolarHBondContact N-OD2 3.05Å; K24-D27 WeakPolarHBondContact O-CB 3.48Å; K24-D27 PolarHBondContact O-N 3.39Å; K24-A55 WeakPolarHBondContact O-CB 3.44Å
25A97.4Very high96.3Very high52 Ų5259.7 Ų59.743%0.4334%0.34SS..G310 helixtrans-53.4-34.5175.800000113.8D27 A28 D54 P58A25-D27 VanDerWaalsContact C-N 3.31Å; A25-D27 PolarHBondContact O-N 3.15Å; A25-A28 PolarHBondContact O-N 2.78Å; A25-D54 WeakPolarHBondContact CA-O 3.17Å; A25-P58 HydrophobicContact CB-CG 4.15Å
26A97.6Very high96.3Very high63 Ų6362.1 Ų62.152%0.52136%0.364SS..G310 helixtrans-68.1-28.5178.700000113.4K24 A28 N29K24-A26 PolarHBondContact O-N 3.45Å; K24-A26 VanDerWaalsContact O-N 3.1Å; A26-A28 PolarHBondContact O-N 3.01Å; A26-N29 WeakPolarHBondContact O-CB 3.48Å; A26-N29 PolarHBondContact O-N 3.35Å; A26-N29 PolarHBondContact O-ND2 3.28Å; A26-N29 VanDerWaalsContact O-ND2 3.12Å
27D97.5Very high96.3Very high67 Ų6765.4 Ų65.436%0.35839%0.385SS..G310 helixtrans-69.5-24-179.6-52.9-29.3000110.7L22 D23 K24 A25 N29L22-D27 HydrophobicContact CD2-CB 4.04Å; L22-D27 VanDerWaalsContact CD2-O 3.22Å; L22-D27 WeakPolarHBondContact CD2-O 3.27Å; D23-D27 PolarHBondContact N-OD2 3.26Å; K24-D27 PolarHBondContact N-OD2 3.05Å; K24-D27 WeakPolarHBondContact O-CB 3.48Å; K24-D27 PolarHBondContact O-N 3.39Å; A25-D27 VanDerWaalsContact C-N 3.31Å; A25-D27 PolarHBondContact O-N 3.15Å; D27-N29 VanDerWaalsContact C-N 3.34Å
28A97.5Very high96.5Very high0 Ų060.3 Ų60.30%036%0.358CS..G310 helixtrans-82.2-4.517700000114.5A25 A26 D30 I31 V32 A55 P58 I59A25-A28 PolarHBondContact O-N 2.78Å; A26-A28 PolarHBondContact O-N 3.01Å; A28-D30 VanDerWaalsContact C-N 3.29Å; A28-D30 PolarHBondContact O-N 2.97Å; A28-I31 PolarHBondContact O-N 3.19Å; A28-I31 VanDerWaalsContact O-N 3.09Å; A28-V32 HydrophobicContact CB-CG2 4.36Å; A28-V32 WeakPolarHBondContact O-CG2 3.17Å; A28-V32 PolarHBondContact O-N 2.81Å; A28-A55 HydrophobicContact CB-CB 4.29Å; A28-A55 WeakPolarHBondContact CB-O 3.49Å; A28-P58 HydrophobicContact CB-CG 3.87Å; A28-I59 HydrophobicContact CB-CD1 3.99Å; A28-I59 HydrophobicContact CB-CG1 3.75Å
29N98Very high96.5Very high88 Ų8858.4 Ų58.447%0.47136%0.355SS..Hα-helixtrans-57.2-38.8-171.1-79.4-21.6000113.6A26 D27 V32 S33A26-N29 WeakPolarHBondContact O-CB 3.48Å; A26-N29 PolarHBondContact O-N 3.35Å; A26-N29 PolarHBondContact O-ND2 3.28Å; A26-N29 VanDerWaalsContact O-ND2 3.12Å; D27-N29 VanDerWaalsContact C-N 3.34Å; N29-V32 PolarHBondContact O-N 3.2Å; N29-S33 VanDerWaalsContact O-CB 3.25Å; N29-S33 WeakPolarHBondContact O-CB 3.48Å; N29-S33 PolarHBondContact O-N 3.24Å; N29-S33 PolarHBondContact O-OG 3.21Å
30D97.2Very high96.5Very high123 Ų12358.8 Ų58.866%0.65835%0.345SS*.Hα-helixtrans-68.1-39.9179.8-69.3-18.3000111.4F15 A28 A34F15-D30 HydrophobicContact CE1-CB 4.08Å; F15-D30 HydrophobicContact CZ-CB 4.37Å; A28-D30 VanDerWaalsContact C-N 3.29Å; A28-D30 PolarHBondContact O-N 2.97Å; D30-A34 VanDerWaalsContact O-CB 3.28Å; D30-A34 WeakPolarHBondContact O-CB 3.39Å; D30-A34 PolarHBondContact O-N 3.49Å
31I97.3Very high96.5Very high1 Ų156.2 Ų56.21%0.00533%0.332CS..Hα-helixtrans-66.2-46.8176.9-59.9170.1000110F15 L22 A28 S33 A34 L35 L46 I59F15-I31 HydrophobicContact CD1-CG1 4.04Å; F15-I31 HydrophobicContact CD2-CB 4.49Å; F15-I31 HydrophobicContact CD2-CG1 3.78Å; F15-I31 HydrophobicContact CE1-CG1 4Å; F15-I31 HydrophobicContact CE2-CB 4.12Å; F15-I31 HydrophobicContact CE2-CG1 3.75Å; F15-I31 HydrophobicContact CE2-CG2 4.32Å; F15-I31 HydrophobicContact CG-CG1 3.93Å; F15-I31 HydrophobicContact CZ-CB 4.32Å; F15-I31 HydrophobicContact CZ-CG1 3.86Å; L22-I31 HydrophobicContact CD1-CD1 3.53Å; L22-I31 HydrophobicContact CD2-CD1 4.16Å; A28-I31 PolarHBondContact O-N 3.19Å; A28-I31 VanDerWaalsContact O-N 3.09Å; I31-S33 PolarHBondContact O-N 3.38Å; I31-A34 PolarHBondContact O-N 3.3Å; I31-L35 HydrophobicContact CG2-CD1 4.17Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.44Å; I31-L46 HydrophobicContact CD1-CD2 3.93Å; I31-L46 HydrophobicContact CG1-CD2 4.42Å; I31-L46 HydrophobicContact CG2-CD2 4.11Å; I31-I59 HydrophobicContact CB-CD1 4.41Å; I31-I59 HydrophobicContact CB-CG1 4.41Å; I31-I59 HydrophobicContact CD1-CD1 3.88Å; I31-I59 HydrophobicContact CG2-CD1 4.14Å; I31-I59 HydrophobicContact CG2-CG1 4.08Å; I31-I59 HydrophobicContact CG2-CG2 4.2Å
32V98.2Very high96.5Very high36 Ų3652.3 Ų52.322%0.21832%0.315CS..Hα-helixtrans-60.7-45.9178.1170.40000110.9A28 N29 A34 L35 A36 P58 I59 A62A28-V32 HydrophobicContact CB-CG2 4.36Å; A28-V32 WeakPolarHBondContact O-CG2 3.17Å; A28-V32 PolarHBondContact O-N 2.81Å; N29-V32 PolarHBondContact O-N 3.2Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 2.92Å; V32-L35 PolarHBondContact O-N 3.17Å; V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.46Å; V32-P58 HydrophobicContact CG2-CB 4.04Å; V32-I59 HydrophobicContact CG2-CG1 4.41Å; V32-A62 HydrophobicContact CB-CB 4.45Å; V32-A62 HydrophobicContact CG1-CB 4.15Å; V32-A62 HydrophobicContact CG2-CB 4.3Å
33S97.8Very high96.5Very high66 Ų6652.2 Ų52.246%0.46232%0.315SS..Hα-helixtrans-64.3-38.5178.2-59.70000111.4N29 I31 S37N29-S33 VanDerWaalsContact O-CB 3.25Å; N29-S33 WeakPolarHBondContact O-CB 3.48Å; N29-S33 PolarHBondContact O-N 3.24Å; N29-S33 PolarHBondContact O-OG 3.21Å; I31-S33 PolarHBondContact O-N 3.38Å; S33-S37 VanDerWaalsContact O-CB 3.29Å; S33-S37 WeakPolarHBondContact O-CB 3.28Å; S33-S37 PolarHBondContact O-N 2.89Å; S33-S37 PolarHBondContact O-OG 3.06Å
34A96.3Very high96.6Very high13 Ų1349.6 Ų49.611%0.10730%0.301CS..Hα-helixtrans-65.4-46.6175.200000111.9V13 F15 D30 I31 V32 A36 S37 N38V13-A34 HydrophobicContact CG1-CB 3.83Å; F15-A34 HydrophobicContact CE2-CB 3.89Å; F15-A34 HydrophobicContact CZ-CB 3.89Å; D30-A34 VanDerWaalsContact O-CB 3.28Å; D30-A34 WeakPolarHBondContact O-CB 3.39Å; D30-A34 PolarHBondContact O-N 3.49Å; I31-A34 PolarHBondContact O-N 3.3Å; V32-A34 VanDerWaalsContact C-N 3.31Å; V32-A34 PolarHBondContact O-N 2.92Å; A34-A36 PolarHBondContact O-N 2.81Å; A34-S37 PolarHBondContact O-N 3.28Å; A34-N38 WeakPolarHBondContact O-CB 3.37Å; A34-N38 PolarHBondContact O-N 2.88Å; A34-N38 VanDerWaalsContact O-N 3.09Å; A34-N38 PolarHBondContact O-ND2 2.97Å
35L97.1Very high96.6Very high0 Ų043.7 Ų43.70%028%0.276CS..Hα-helixtrans-60.9-44176.2-77.1171.8000112V13 I31 V32 S37 N38 L44 I59 A62 L63 N66V13-L35 HydrophobicContact CB-CD2 4.39Å; V13-L35 HydrophobicContact CG1-CD2 4.33Å; V13-L35 HydrophobicContact CG1-CG 4.43Å; V13-L35 HydrophobicContact CG2-CD2 4.39Å; I31-L35 HydrophobicContact CG2-CD1 4.17Å; I31-L35 WeakPolarHBondContact O-CG 3.48Å; I31-L35 PolarHBondContact O-N 3.44Å; V32-L35 PolarHBondContact O-N 3.17Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 3.11Å; L35-N38 CarbonylContact O-C 3.3Å; L35-N38 VanDerWaalsContact O-C 3.3Å; L35-N38 PolarHBondContact O-N 3.29Å; L35-L44 HydrophobicContact CD1-CD2 4.42Å; L35-L44 HydrophobicContact CD2-CD1 4.18Å; L35-L44 HydrophobicContact CD2-CD2 4.48Å; L35-I59 HydrophobicContact CD1-CG2 4.14Å; L35-A62 HydrophobicContact CB-CB 4.11Å; L35-A62 HydrophobicContact CD1-CB 3.91Å; L35-L63 HydrophobicContact CD1-CD2 4.25Å; L35-L63 HydrophobicContact CD1-CG 4.16Å; L35-L63 HydrophobicContact CD2-CD2 4.17Å; L35-N66 PolarHBondContact O-ND2 3.3Å; L35-N66 VanDerWaalsContact O-ND2 3.07Å
36A96Very high96.6Very high70 Ų7041.2 Ų41.258%0.57926%0.256SS*.Hα-helixtrans-65.1-36.7178.200000112.9V32 A34 N38V32-A36 WeakPolarHBondContact O-CB 3.49Å; V32-A36 PolarHBondContact O-N 3.46Å; A34-A36 PolarHBondContact O-N 2.81Å; A36-N38 VanDerWaalsContact C-N 3.27Å; A36-N38 PolarHBondContact O-N 3.31Å
37S95.8Very high96.5Very high90 Ų9038.7 Ų38.763%0.62923%0.234SC*.Hα-helixtrans-76.4-15.5177.6-56.20000112.8S33 A34 L35 P39S33-S37 VanDerWaalsContact O-CB 3.29Å; S33-S37 WeakPolarHBondContact O-CB 3.28Å; S33-S37 PolarHBondContact O-N 2.89Å; S33-S37 PolarHBondContact O-OG 3.06Å; A34-S37 PolarHBondContact O-N 3.28Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 3.11Å; S37-P39 VanDerWaalsContact C-CD 3.47Å; S37-P39 WeakPolarHBondContact O-CD 3.48Å
38N95.2Very high96.4Very high17 Ų1736 Ų369%0.09122%0.223CC..  trans-127.665-176-61.8-84.5000111.3V13 A34 L35 A36 N40 A41 N66V13-N38 HydrophobicContact CG2-CB 3.88Å; A34-N38 WeakPolarHBondContact O-CB 3.37Å; A34-N38 PolarHBondContact O-N 2.88Å; A34-N38 VanDerWaalsContact O-N 3.09Å; A34-N38 PolarHBondContact O-ND2 2.97Å; L35-N38 CarbonylContact O-C 3.3Å; L35-N38 VanDerWaalsContact O-C 3.3Å; L35-N38 PolarHBondContact O-N 3.29Å; A36-N38 VanDerWaalsContact C-N 3.27Å; A36-N38 PolarHBondContact O-N 3.31Å; N38-N40 PolarHBondContact O-N 2.91Å; N38-N40 VanDerWaalsContact O-N 3.13Å; N38-A41 HydrophobicContact CB-CB 4.24Å; N38-A41 VanDerWaalsContact O-CB 3.27Å; N38-A41 WeakPolarHBondContact O-CB 3.29Å; N38-A41 PolarHBondContact O-N 3.05Å; N38-N66 PolarHBondContact O-ND2 2.93Å; N38-N66 VanDerWaalsContact O-ND2 3.08Å
39P92.5Very high96.4Very high64 Ų6436.1 Ų36.142%0.41622%0.223SC..THydrogen-bonded Turntrans-63-21.7-178.826.6-35.6000113.5S37S37-P39 VanDerWaalsContact C-CD 3.47Å; S37-P39 WeakPolarHBondContact O-CD 3.48Å
40N93.2Very high96.3Very high91 Ų9133.2 Ų33.249%0.48721%0.209SC..THydrogen-bonded Turntrans-92.410.8177.4-60.1-22.2000113.4N38 E42 F68N38-N40 PolarHBondContact O-N 2.91Å; N38-N40 VanDerWaalsContact O-N 3.13Å; N40-E42 PolarHBondContact O-N 3.45Å; N40-F68 HydrophobicContact CB-CD2 4.44Å; N40-F68 WeakPolarHBondContact OD1-CE2 3.47Å
41A94.8Very high96.4Very high0 Ų027.3 Ų27.30%018%0.177CC..  trans-58.3133.817500000110.5W11 V13 N38 F68 I69W11-A41 CarbonylContact O-C 3.55Å; W11-A41 WeakPolarHBondContact O-CA 3.35Å; V13-A41 HydrophobicContact CG2-CB 3.77Å; N38-A41 HydrophobicContact CB-CB 4.24Å; N38-A41 VanDerWaalsContact O-CB 3.27Å; N38-A41 WeakPolarHBondContact O-CB 3.29Å; N38-A41 PolarHBondContact O-N 3.05Å; A41-F68 CarbonylContact O-C 3.57Å; A41-F68 VanDerWaalsContact O-C 3.24Å; A41-I69 HydrophobicContact CB-CD1 4.02Å; A41-I69 WeakPolarHBondContact O-CD1 3.16Å; A41-I69 PolarHBondContact O-N 3.39Å
42E96.3Very high96.4Very high57 Ų5727.3 Ų27.327%0.26618%0.177SC..  trans-101.3-15.3177.1-61.7-164.214700112.6G10 W11 N40 F68 K70 R71G10-E42 VanDerWaalsContact CA-OE2 3.28Å; G10-E42 WeakPolarHBondContact CA-OE2 3.29Å; W11-E42 PolarHBondContact O-N 3.47Å; N40-E42 PolarHBondContact O-N 3.45Å; E42-F68 WeakPolarHBondContact CA-O 3.35Å; E42-K70 PolarHBondContact O-N 3.27Å; E42-K70 IonicContact OE1-NZ 3.68Å; E42-K70 PolarHBondContact OE1-NZ 3.28Å; E42-R71 PolarHBondContact O-N 3.1Å
43C97.1Very high96.4Very high2 Ų228.1 Ų28.11%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-136.9133.1179178.10000110.8W11 T12 V13 R71W11-C43 PolarHBondContact O-N 3.2Å; T12-C43 HydrophobicContact CG2-CB 3.86Å; V13-C43 PolarHBondContact N-O 3.26Å; C43-R71 WeakPolarHBondContact CA-O 3.33Å; C43-R71 HydrophobicContact CB-CB 4.14Å
44L97.7Very high96.4Very high0 Ų030 Ų300%019%0.185CC..EExtended strand (participates in β ladder)trans-111.3115.7165.3175.459.7000108.3V13 L35 L46 L63 I69 R71 L73 F74V13-L44 HydrophobicContact CB-CD1 4.29Å; V13-L44 HydrophobicContact CG1-CD1 4.03Å; V13-L44 WeakPolarHBondContact O-CA 3.37Å; L35-L44 HydrophobicContact CD1-CD2 4.42Å; L35-L44 HydrophobicContact CD2-CD1 4.18Å; L35-L44 HydrophobicContact CD2-CD2 4.48Å; L44-L46 HydrophobicContact CD1-CD2 3.85Å; L44-L46 HydrophobicContact CD1-CG 3.97Å; L44-L46 HydrophobicContact CD2-CD1 4.18Å; L44-L46 HydrophobicContact CD2-CG 4.38Å; L44-L46 HydrophobicContact CG-CD1 4.38Å; L44-L46 HydrophobicContact CG-CD2 4.46Å; L44-L46 HydrophobicContact CG-CG 4.03Å; L44-L63 HydrophobicContact CD2-CD1 4Å; L44-L63 HydrophobicContact CD2-CD2 3.79Å; L44-L63 HydrophobicContact CD2-CG 4.21Å; L44-I69 HydrophobicContact CB-CD1 4.1Å; L44-R71 PolarHBondContact N-O 3.15Å; L44-L73 PolarHBondContact O-N 3.38Å; L44-F74 HydrophobicContact CD2-CE1 3.96Å; L44-F74 HydrophobicContact CD2-CZ 4.24Å; L44-F74 HydrophobicContact CG-CE1 4.08Å
45N97.5Very high96.5Very high18 Ų1829.4 Ų29.410%0.09618%0.18CC..EExtended strand (participates in β ladder)trans-114.9114176.3-174.3-15.6000110.4V13 S14 F15 S47 L73V13-N45 PolarHBondContact O-N 3.48Å; S14-N45 WeakPolarHBondContact CA-O 3.38Å; F15-N45 PolarHBondContact N-O 3.3Å; N45-S47 WeakPolarHBondContact OD1-CB 3.48Å; N45-S47 PolarHBondContact OD1-N 3.44Å; N45-S47 PolarHBondContact OD1-OG 3.17Å; N45-S47 VanDerWaalsContact OD1-OG 3.07Å; N45-L73 HydrophobicContact CB-CB 4.04Å; N45-L73 HydrophobicContact CB-CD1 4.12Å; N45-L73 HydrophobicContact CB-CG 4.47Å; N45-L73 WeakPolarHBondContact ND2-CD1 3.21Å
46L97.7Very high96.6Very high0 Ų029.4 Ų29.40%018%0.18CC..  trans-114.913.3178-61.6-178.2000112.3F15 I31 L44 N49 L73 F74 L77F15-L46 HydrophobicContact CB-CD2 4.29Å; F15-L46 HydrophobicContact CD2-CD2 4.33Å; I31-L46 HydrophobicContact CD1-CD2 3.93Å; I31-L46 HydrophobicContact CG1-CD2 4.42Å; I31-L46 HydrophobicContact CG2-CD2 4.11Å; L44-L46 HydrophobicContact CD1-CD2 3.85Å; L44-L46 HydrophobicContact CD1-CG 3.97Å; L44-L46 HydrophobicContact CD2-CD1 4.18Å; L44-L46 HydrophobicContact CD2-CG 4.38Å; L44-L46 HydrophobicContact CG-CD1 4.38Å; L44-L46 HydrophobicContact CG-CD2 4.46Å; L44-L46 HydrophobicContact CG-CG 4.03Å; L46-N49 PolarHBondContact O-ND2 2.63Å; L46-L73 PolarHBondContact N-O 3.35Å; L46-F74 HydrophobicContact CB-CD1 4.34Å; L46-F74 HydrophobicContact CD1-CD1 4.43Å; L46-F74 HydrophobicContact CD1-CE1 4.2Å; L46-F74 HydrophobicContact CG-CD1 4.5Å; L46-F74 HydrophobicContact CG-CE1 4.42Å; L46-L77 HydrophobicContact CB-CD1 3.81Å; L46-L77 HydrophobicContact CB-CD2 4.39Å; L46-L77 WeakPolarHBondContact O-CD1 3.33Å
47S96.6Very high96.7Very high9 Ų931.3 Ų31.36%0.06318%0.175CC..  trans-60.7150-170.573.60000113.8A16 N17 N45 N49 N75A16-S47 CarbonylContact C-O 3.33Å; A16-S47 VanDerWaalsContact CA-O 3.26Å; A16-S47 WeakPolarHBondContact CA-O 3.4Å; A16-S47 WeakPolarHBondContact CB-OG 3.41Å; N17-S47 PolarHBondContact N-O 3.28Å; N45-S47 WeakPolarHBondContact OD1-CB 3.48Å; N45-S47 PolarHBondContact OD1-N 3.44Å; N45-S47 PolarHBondContact OD1-OG 3.17Å; N45-S47 VanDerWaalsContact OD1-OG 3.07Å; S47-N49 PolarHBondContact O-ND2 3.36Å; S47-N75 WeakPolarHBondContact CA-O 3.34Å; S47-N75 VanDerWaalsContact CB-O 3.27Å; S47-N75 WeakPolarHBondContact CB-O 3.17Å; S47-N75 WeakPolarHBondContact CB-OD1 3.25Å
48G95.3Very high96.8Very high11 Ų1128.4 Ų28.411%0.11315%0.154CC..SBendtrans67.537.4176.300000113.9A19 N75 D76A19-G48 PolarHBondContact N-O 3.32Å; G48-N75 PolarHBondContact N-O 3.03Å; G48-D76 CarbonylContact C-O 3.52Å; G48-D76 VanDerWaalsContact CA-O 3.24Å; G48-D76 WeakPolarHBondContact CA-O 3.26Å; G48-D76 PolarHBondContact N-O 2.91Å
49N96.7Very high97Very high3 Ų327.6 Ų27.62%0.01615%0.149CC..SBendtrans-135178.4177.2-62.8-68.1000110.2F15 A19 L20 L46 S47 D76 L77F15-N49 PolarHBondContact O-ND2 2.86Å; A19-N49 PolarHBondContact N-OD1 3.43Å; L20-N49 HydrophobicContact CB-CB 4.32Å; L20-N49 WeakPolarHBondContact CB-OD1 3.49Å; L20-N49 WeakPolarHBondContact CG-OD1 3.17Å; L20-N49 PolarHBondContact N-OD1 2.97Å; L46-N49 PolarHBondContact O-ND2 2.63Å; S47-N49 PolarHBondContact O-ND2 3.36Å; N49-D76 PolarHBondContact N-O 3.29Å; N49-L77 HydrophobicContact CB-CD1 4.3Å; N49-L77 CarbonylContact O-C 3.12Å; N49-L77 WeakPolarHBondContact O-CA 3.45Å; N49-L77 VanDerWaalsContact O-O 3.04Å
50T96.9Very high97.3Very high26 Ų2624.6 Ų24.616%0.1613%0.131CC..EExtended strand (participates in β ladder)trans-126.8104.7-177.8-61.80000110.7L20 K21 L22 L77 T79 R81L20-T50 PolarHBondContact O-N 2.99Å; K21-T50 HydrophobicContact CG-CG2 4.5Å; L22-T50 PolarHBondContact N-O 3.39Å; T50-L77 CarbonylContact C-O 3.21Å; T50-L77 WeakPolarHBondContact CA-O 3.38Å; T50-T79 WeakPolarHBondContact CB-O 3.48Å; T50-T79 WeakPolarHBondContact CG2-O 3.34Å; T50-T79 PolarHBondContact OG1-O 3.36Å; T50-R81 HydrophobicContact CG2-CG 3.87Å; T50-R81 PolarHBondContact O-NH2 3.39Å
51L97.8Very high97.5Very high0 Ų024.6 Ų24.60%013%0.13CC..EExtended strand (participates in β ladder)trans-101120-174.1-175.563.8000112.9L22 A55 A56 I59 L77 F78 R81 L93L22-L51 HydrophobicContact CB-CD1 3.95Å; L22-L51 HydrophobicContact CD1-CD1 3.84Å; L51-A55 HydrophobicContact CD1-CB 3.94Å; L51-A56 HydrophobicContact CD1-CB 4.12Å; L51-A56 HydrophobicContact CD2-CB 3.84Å; L51-A56 HydrophobicContact CG-CB 3.94Å; L51-I59 HydrophobicContact CD1-CD1 3.88Å; L51-L77 HydrophobicContact CB-CD1 3.79Å; L51-L77 HydrophobicContact CB-CD2 4.44Å; L51-L77 HydrophobicContact CB-CG 3.82Å; L51-L77 HydrophobicContact CD2-CD1 4.46Å; L51-L77 HydrophobicContact CD2-CD2 3.95Å; L51-L77 HydrophobicContact CD2-CG 4.26Å; L51-L77 PolarHBondContact N-O 3.48Å; L51-F78 HydrophobicContact CB-CE1 4.17Å; L51-F78 VanDerWaalsContact O-CD1 3.29Å; L51-F78 WeakPolarHBondContact O-CD1 3.5Å; L51-F78 VanDerWaalsContact O-CE1 3.29Å; L51-F78 WeakPolarHBondContact O-CE1 3.05Å; L51-R81 PolarHBondContact O-NE 3.09Å; L51-L93 HydrophobicContact CD2-CD1 3.84Å; L51-L93 HydrophobicContact CD2-CD2 4.47Å; L51-L93 HydrophobicContact CD2-CG 4.4Å
52G97.2Very high97.7Very high1 Ų125.2 Ų25.21%0.0113%0.134CC..  trans-94.4168.2172.600000112.4L22 D54 A55 A56L22-G52 PolarHBondContact O-N 2.94Å; G52-D54 PolarHBondContact O-N 3.3Å; G52-A55 PolarHBondContact O-N 3.45Å; G52-A56 WeakPolarHBondContact O-CB 3.5Å; G52-A56 PolarHBondContact O-N 2.87Å
53I98.1Very high97.8Very high52 Ų5222.5 Ų22.527%0.26712%0.122SC..Hα-helixtrans-58.3-49.1-177.1-50.8176000111.5A55 A56 K57 E85 P88I53-A55 VanDerWaalsContact C-N 3.29Å; I53-A55 PolarHBondContact O-N 3Å; I53-A56 PolarHBondContact O-N 3.37Å; I53-K57 PolarHBondContact O-N 3.43Å; I53-K57 VanDerWaalsContact O-N 3.17Å; I53-E85 HydrophobicContact CD1-CB 4.21Å; I53-E85 HydrophobicContact CD1-CG 4.08Å; I53-E85 HydrophobicContact CG1-CB 3.95Å; I53-E85 HydrophobicContact CG1-CG 4.18Å; I53-P88 HydrophobicContact CD1-CB 3.91Å; I53-P88 HydrophobicContact CD1-CG 4.19Å; I53-P88 HydrophobicContact CG1-CB 4.08Å; I53-P88 HydrophobicContact CG2-CB 4.05Å
54D98.3Very high97.8Very high107 Ų10725.8 Ų25.857%0.57214%0.137SC*.Hα-helixtrans-66.8-31.2-174.7-73.6-24.5000112.8A25 G52 P58A25-D54 WeakPolarHBondContact CA-O 3.17Å; G52-D54 PolarHBondContact O-N 3.3Å; D54-P58 WeakPolarHBondContact O-CD 3.17Å
55A98.2Very high97.8Very high0 Ų033.7 Ų33.70%017%0.171CC..Hα-helixtrans-81.4-31.3174.500000112.6L22 K24 A28 L51 G52 I53 K57 P58 I59L22-A55 HydrophobicContact CB-CB 3.68Å; L22-A55 WeakPolarHBondContact O-CB 3.1Å; K24-A55 WeakPolarHBondContact O-CB 3.44Å; A28-A55 HydrophobicContact CB-CB 4.29Å; A28-A55 WeakPolarHBondContact CB-O 3.49Å; L51-A55 HydrophobicContact CD1-CB 3.94Å; G52-A55 PolarHBondContact O-N 3.45Å; I53-A55 VanDerWaalsContact C-N 3.29Å; I53-A55 PolarHBondContact O-N 3Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.1Å; A55-P58 VanDerWaalsContact O-CD 3.26Å; A55-P58 WeakPolarHBondContact O-CD 3.38Å; A55-P58 WeakPolarHBondContact O-CG 3.33Å; A55-I59 WeakPolarHBondContact O-CG1 3.43Å
56A98.6Very high97.7Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-64.9-36.4176.500000112.2L51 G52 I53 I59 G60 A89 H92L51-A56 HydrophobicContact CD1-CB 4.12Å; L51-A56 HydrophobicContact CD2-CB 3.84Å; L51-A56 HydrophobicContact CG-CB 3.94Å; G52-A56 WeakPolarHBondContact O-CB 3.5Å; G52-A56 PolarHBondContact O-N 2.87Å; I53-A56 PolarHBondContact O-N 3.37Å; A56-I59 PolarHBondContact O-N 3Å; A56-G60 PolarHBondContact O-N 3.47Å; A56-A89 HydrophobicContact CB-CB 3.77Å; A56-H92 HydrophobicContact CB-CB 4.13Å
57K98.7Very high97.7Very high110 Ų11040.7 Ų40.748%0.47820%0.197SC..Hα-helixtrans-55-56.6-179.2-176.1175.1-177.61770114.3I53 A55 I59 G60 I61I53-K57 PolarHBondContact O-N 3.43Å; I53-K57 VanDerWaalsContact O-N 3.17Å; A55-K57 VanDerWaalsContact C-N 3.32Å; A55-K57 PolarHBondContact O-N 3.1Å; K57-I59 VanDerWaalsContact C-N 3.29Å; K57-I59 PolarHBondContact O-N 3.47Å; K57-G60 PolarHBondContact O-N 3.01Å; K57-I61 HydrophobicContact CG-CD1 4.21Å; K57-I61 WeakPolarHBondContact O-CG1 3.03Å; K57-I61 PolarHBondContact O-N 3.42Å
58P98.6Very high97.6Very high28 Ų2843.8 Ų43.818%0.18221%0.209CC..Hα-helixtrans-66.1-29.1178.427.9-37.3000113A25 A28 V32 D54 A55 I61 A62A25-P58 HydrophobicContact CB-CG 4.15Å; A28-P58 HydrophobicContact CB-CG 3.87Å; V32-P58 HydrophobicContact CG2-CB 4.04Å; D54-P58 WeakPolarHBondContact O-CD 3.17Å; A55-P58 VanDerWaalsContact O-CD 3.26Å; A55-P58 WeakPolarHBondContact O-CD 3.38Å; A55-P58 WeakPolarHBondContact O-CG 3.33Å; P58-I61 PolarHBondContact O-N 3.08Å; P58-A62 WeakPolarHBondContact O-CB 3.35Å; P58-A62 PolarHBondContact O-N 2.75Å
59I98.6Very high97.7Very high0 Ų043.2 Ų43.20%020%0.204CC..Hα-helixtrans-65.9-46.3173.2-60.5172.6000110.4L22 A28 I31 V32 L35 L51 A55 A56 K57 I61 A62 L63 L93L22-I59 HydrophobicContact CD1-CD1 4.44Å; A28-I59 HydrophobicContact CB-CD1 3.99Å; A28-I59 HydrophobicContact CB-CG1 3.75Å; I31-I59 HydrophobicContact CB-CD1 4.41Å; I31-I59 HydrophobicContact CB-CG1 4.41Å; I31-I59 HydrophobicContact CD1-CD1 3.88Å; I31-I59 HydrophobicContact CG2-CD1 4.14Å; I31-I59 HydrophobicContact CG2-CG1 4.08Å; I31-I59 HydrophobicContact CG2-CG2 4.2Å; V32-I59 HydrophobicContact CG2-CG1 4.41Å; L35-I59 HydrophobicContact CD1-CG2 4.14Å; L51-I59 HydrophobicContact CD1-CD1 3.88Å; A55-I59 WeakPolarHBondContact O-CG1 3.43Å; A56-I59 PolarHBondContact O-N 3Å; K57-I59 VanDerWaalsContact C-N 3.29Å; K57-I59 PolarHBondContact O-N 3.47Å; I59-I61 VanDerWaalsContact C-N 3.35Å; I59-I61 PolarHBondContact O-N 3.16Å; I59-A62 WeakPolarHBondContact O-CB 3.43Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.14Å; I59-L63 HydrophobicContact CG2-CD1 4.43Å; I59-L63 PolarHBondContact O-N 3.34Å; I59-L93 HydrophobicContact CB-CD2 4.03Å; I59-L93 HydrophobicContact CG2-CD2 3.65Å
60G98.5Very high97.8Very high2 Ų247.4 Ų47.42%0.02122%0.221CC..Hα-helixtrans-56.5-46.1174.200000112.5A56 K57 A62 L63 E64 H92 G96A56-G60 PolarHBondContact O-N 3.47Å; K57-G60 PolarHBondContact O-N 3.01Å; G60-A62 VanDerWaalsContact C-N 3.31Å; G60-A62 PolarHBondContact O-N 2.97Å; G60-L63 WeakPolarHBondContact O-CB 3.49Å; G60-L63 PolarHBondContact O-N 3.06Å; G60-E64 PolarHBondContact O-N 2.93Å; G60-H92 VanDerWaalsContact CA-O 3.27Å; G60-H92 WeakPolarHBondContact CA-O 3.49Å; G60-G96 WeakPolarHBondContact O-CA 3.36Å
61I98.6Very high97.8Very high91 Ų9147.3 Ų47.347%0.46722%0.218SC..Hα-helixtrans-62.3-38.6175.9-66.2166.4000111.5K57 P58 I59 E64K57-I61 HydrophobicContact CG-CD1 4.21Å; K57-I61 WeakPolarHBondContact O-CG1 3.03Å; K57-I61 PolarHBondContact O-N 3.42Å; P58-I61 PolarHBondContact O-N 3.08Å; I59-I61 VanDerWaalsContact C-N 3.35Å; I59-I61 PolarHBondContact O-N 3.16Å; I61-E64 WeakPolarHBondContact O-CB 3.45Å; I61-E64 WeakPolarHBondContact O-CG 3.3Å; I61-E64 PolarHBondContact O-N 3.44Å
62A98Very high97.9Very high12 Ų1247.3 Ų47.310%0.09922%0.218CC..Hα-helixtrans-63.8-43176.200000111.4V32 L35 P58 I59 G60 E64 K65 N66V32-A62 HydrophobicContact CB-CB 4.45Å; V32-A62 HydrophobicContact CG1-CB 4.15Å; V32-A62 HydrophobicContact CG2-CB 4.3Å; L35-A62 HydrophobicContact CB-CB 4.11Å; L35-A62 HydrophobicContact CD1-CB 3.91Å; P58-A62 WeakPolarHBondContact O-CB 3.35Å; P58-A62 PolarHBondContact O-N 2.75Å; I59-A62 WeakPolarHBondContact O-CB 3.43Å; I59-A62 PolarHBondContact O-N 3.46Å; I59-A62 VanDerWaalsContact O-N 3.14Å; G60-A62 VanDerWaalsContact C-N 3.31Å; G60-A62 PolarHBondContact O-N 2.97Å; A62-E64 PolarHBondContact O-N 3.39Å; A62-K65 PolarHBondContact O-N 3.46Å; A62-K65 VanDerWaalsContact O-N 3.14Å; A62-N66 PolarHBondContact O-OD1 3.47Å
63L98.2Very high97.9Very high0 Ų048.5 Ų48.50%022%0.224CC..Hα-helixtrans-58.7-26.4178.7-80.5171.5000113.9L35 L44 I59 G60 K65 N66 I69 L93 L97 S100L35-L63 HydrophobicContact CD1-CD2 4.25Å; L35-L63 HydrophobicContact CD1-CG 4.16Å; L35-L63 HydrophobicContact CD2-CD2 4.17Å; L44-L63 HydrophobicContact CD2-CD1 4Å; L44-L63 HydrophobicContact CD2-CD2 3.79Å; L44-L63 HydrophobicContact CD2-CG 4.21Å; I59-L63 HydrophobicContact CG2-CD1 4.43Å; I59-L63 PolarHBondContact O-N 3.34Å; G60-L63 WeakPolarHBondContact O-CB 3.49Å; G60-L63 PolarHBondContact O-N 3.06Å; L63-K65 PolarHBondContact O-N 3.34Å; L63-N66 HydrophobicContact CD2-CB 4.38Å; L63-N66 PolarHBondContact O-N 3.23Å; L63-I69 HydrophobicContact CD2-CG1 4.3Å; L63-L93 HydrophobicContact CD1-CD2 4.2Å; L63-L97 HydrophobicContact CD1-CD2 4.32Å; L63-L97 HydrophobicContact CD1-CG 4.32Å; L63-L97 HydrophobicContact CD2-CD2 4.19Å; L63-S100 VanDerWaalsContact O-CB 3.25Å; L63-S100 WeakPolarHBondContact O-CB 3.39Å
64E98.3Very high97.9Very high71 Ų7146.2 Ų46.233%0.33221%0.212SC..THydrogen-bonded Turntrans-53.9-25.8175.8-60.9179.2-17400112.9G60 I61 A62 G96 V99 S100G60-E64 PolarHBondContact O-N 2.93Å; I61-E64 WeakPolarHBondContact O-CB 3.45Å; I61-E64 WeakPolarHBondContact O-CG 3.3Å; I61-E64 PolarHBondContact O-N 3.44Å; A62-E64 PolarHBondContact O-N 3.39Å; E64-G96 WeakPolarHBondContact CA-O 3.39Å; E64-V99 HydrophobicContact CB-CB 4.44Å; E64-V99 HydrophobicContact CB-CG1 3.97Å; E64-V99 HydrophobicContact CG-CB 4.01Å; E64-V99 HydrophobicContact CG-CG1 3.86Å; E64-S100 WeakPolarHBondContact O-CA 3.46Å; E64-S100 VanDerWaalsContact O-CB 3.29Å; E64-S100 WeakPolarHBondContact O-CB 3.35Å
65K96.9Very high97.9Very high166 Ų16643 Ų4372%0.72220%0.195SC*.THydrogen-bonded Turntrans-95.8-10.1179.6-62.3178.5-176.7173.50113.6A62 L63 R67A62-K65 PolarHBondContact O-N 3.46Å; A62-K65 VanDerWaalsContact O-N 3.14Å; L63-K65 PolarHBondContact O-N 3.34Å; K65-R67 PolarHBondContact O-N 3.46Å
66N96.5Very high97.8Very high2 Ų245.6 Ų45.61%0.01121%0.209CC..  trans-96.965.7-175-66.992.2000111.6L35 N38 A62 L63 F68 I69L35-N66 PolarHBondContact O-ND2 3.3Å; L35-N66 VanDerWaalsContact O-ND2 3.07Å; N38-N66 PolarHBondContact O-ND2 2.93Å; N38-N66 VanDerWaalsContact O-ND2 3.08Å; A62-N66 PolarHBondContact O-OD1 3.47Å; L63-N66 HydrophobicContact CD2-CB 4.38Å; L63-N66 PolarHBondContact O-N 3.23Å; N66-F68 PolarHBondContact O-N 2.91Å; N66-F68 VanDerWaalsContact O-N 3.11Å; N66-I69 HydrophobicContact CB-CG1 3.75Å; N66-I69 WeakPolarHBondContact O-CG1 3.36Å; N66-I69 PolarHBondContact O-N 2.88Å
67R96.2Very high97.7Very high163 Ų16345.6 Ų45.662%0.61521%0.209SC*.THydrogen-bonded Turntrans-63.6-15.2-17769.9-178-179.3-168.2-2.3115.9K65K65-R67 PolarHBondContact O-N 3.46Å
68F96.2Very high97.6Very high74 Ų7440.7 Ų40.733%0.32519%0.188SC..THydrogen-bonded Turntrans-95.4-1.5-175.9-65.2-70.5000113.4N40 A41 E42 N66 K70N40-F68 HydrophobicContact CB-CD2 4.44Å; N40-F68 WeakPolarHBondContact OD1-CE2 3.47Å; A41-F68 CarbonylContact O-C 3.57Å; A41-F68 VanDerWaalsContact O-C 3.24Å; E42-F68 WeakPolarHBondContact CA-O 3.35Å; N66-F68 PolarHBondContact O-N 2.91Å; N66-F68 VanDerWaalsContact O-N 3.11Å; F68-K70 PolarHBondContact O-N 3.5Å
69I97.6Very high97.2Very high0 Ų043 Ų430%020%0.202CC..  trans-60122.4175.2-66-71.7000108.5A41 L44 L63 N66 L97 S102 I104A41-I69 HydrophobicContact CB-CD1 4.02Å; A41-I69 WeakPolarHBondContact O-CD1 3.16Å; A41-I69 PolarHBondContact O-N 3.39Å; L44-I69 HydrophobicContact CB-CD1 4.1Å; L63-I69 HydrophobicContact CD2-CG1 4.3Å; N66-I69 HydrophobicContact CB-CG1 3.75Å; N66-I69 WeakPolarHBondContact O-CG1 3.36Å; N66-I69 PolarHBondContact O-N 2.88Å; I69-L97 HydrophobicContact CG2-CD2 4.06Å; I69-S102 WeakPolarHBondContact O-CB 3.38Å; I69-I104 HydrophobicContact CG2-CG2 4.46Å
70K97.6Very high96.8Very high90 Ų9047 Ų4739%0.39124%0.242SC..  trans-111.6-21.5174.9-68177.6-176166.90111.6E42 F68 I104 V105 E106E42-K70 PolarHBondContact O-N 3.27Å; E42-K70 IonicContact OE1-NZ 3.68Å; E42-K70 PolarHBondContact OE1-NZ 3.28Å; F68-K70 PolarHBondContact O-N 3.5Å; K70-I104 CarbonylContact O-C 3.48Å; K70-I104 WeakPolarHBondContact O-CA 3.48Å; K70-V105 HydrophobicContact CB-CG2 4.39Å; K70-V105 PolarHBondContact O-N 3.3Å; K70-E106 PolarHBondContact O-N 3.46Å; K70-E106 VanDerWaalsContact O-N 3.14Å
71R97.7Very high96.5Very high25 Ų2548.8 Ų48.89%0.09425%0.248CC..EExtended strand (participates in β ladder)trans-135.2128.4-171.9-54.6-175.1-73.5147.12.1111.2Y8 E42 C43 L44 E106Y8-R71 VanDerWaalsContact CD2-NH1 3.29Å; E42-R71 PolarHBondContact O-N 3.1Å; C43-R71 WeakPolarHBondContact CA-O 3.33Å; C43-R71 HydrophobicContact CB-CB 4.14Å; L44-R71 PolarHBondContact N-O 3.15Å; R71-E106 WeakPolarHBondContact CA-O 3.32Å; R71-E106 HydrophobicContact CB-CB 4.18Å; R71-E106 WeakPolarHBondContact CD-OE2 3.26Å; R71-E106 HydrophobicContact CG-CB 3.86Å
72C98.5Very high96.2Very high0 Ų050 Ų500%026%0.255CS..EExtended strand (participates in β ladder)trans-122.2104.8-179.9-70.10000108.5F74 E106 L107 D108C72-F74 HydrophobicContact CB-CD2 4.15Å; C72-F74 HydrophobicContact CB-CE1 4.04Å; C72-F74 HydrophobicContact CB-CE2 3.67Å; C72-F74 HydrophobicContact CB-CZ 3.6Å; C72-E106 PolarHBondContact N-O 3Å; C72-L107 HydrophobicContact CB-CD1 3.71Å; C72-D108 PolarHBondContact O-N 3.46Å
73L98Very high95.8Very high25 Ų2556.8 Ų56.813%0.13128%0.282CS..EExtended strand (participates in β ladder)trans-101.993.3179.8-52.5-179.4000108.3L44 N45 L46 E106 D108L44-L73 PolarHBondContact O-N 3.38Å; N45-L73 HydrophobicContact CB-CB 4.04Å; N45-L73 HydrophobicContact CB-CD1 4.12Å; N45-L73 HydrophobicContact CB-CG 4.47Å; N45-L73 WeakPolarHBondContact ND2-CD1 3.21Å; L46-L73 PolarHBondContact N-O 3.35Å; L73-E106 HydrophobicContact CD2-CG 4.38Å; L73-D108 HydrophobicContact CD2-CB 3.97Å
74F98Very high95.5Very high4 Ų461 Ų612%0.01831%0.311CS..  trans-114.621.8-174.3-59.3-22.8000111.6L44 L46 C72 L77 L93 L107 D108 L109 N112L44-F74 HydrophobicContact CD2-CE1 3.96Å; L44-F74 HydrophobicContact CD2-CZ 4.24Å; L44-F74 HydrophobicContact CG-CE1 4.08Å; L46-F74 HydrophobicContact CB-CD1 4.34Å; L46-F74 HydrophobicContact CD1-CD1 4.43Å; L46-F74 HydrophobicContact CD1-CE1 4.2Å; L46-F74 HydrophobicContact CG-CD1 4.5Å; L46-F74 HydrophobicContact CG-CE1 4.42Å; C72-F74 HydrophobicContact CB-CD2 4.15Å; C72-F74 HydrophobicContact CB-CE1 4.04Å; C72-F74 HydrophobicContact CB-CE2 3.67Å; C72-F74 HydrophobicContact CB-CZ 3.6Å; F74-L77 HydrophobicContact CB-CD2 3.81Å; F74-L77 HydrophobicContact CD1-CD2 4.25Å; F74-L77 HydrophobicContact CG-CD2 4.1Å; F74-L77 VanDerWaalsContact O-CB 3.24Å; F74-L77 WeakPolarHBondContact O-CB 3.31Å; F74-L93 HydrophobicContact CD2-CD1 4.29Å; F74-L93 HydrophobicContact CE2-CB 4.46Å; F74-L93 HydrophobicContact CE2-CD1 4.02Å; F74-L93 HydrophobicContact CZ-CD1 4.2Å; F74-L107 HydrophobicContact CD2-CD1 4.21Å; F74-L107 HydrophobicContact CE2-CD1 4.48Å; F74-D108 CarbonylContact C-O 3.39Å; F74-D108 VanDerWaalsContact CA-O 3.32Å; F74-D108 WeakPolarHBondContact CA-O 3.42Å; F74-D108 WeakPolarHBondContact CB-O 3.37Å; F74-D108 PolarHBondContact N-O 2.95Å; F74-L109 HydrophobicContact CB-CD2 4.15Å; F74-L109 HydrophobicContact CD2-CD2 4.22Å; F74-N112 PolarHBondContact O-ND2 2.82Å
75N97.5Very high95.3Very high39 Ų3959.5 Ų59.521%0.20931%0.305CS..THydrogen-bonded Turntrans-69.3143176.663-66.7000111.9S47 G48 L77 D108 S110S47-N75 WeakPolarHBondContact CA-O 3.34Å; S47-N75 VanDerWaalsContact CB-O 3.27Å; S47-N75 WeakPolarHBondContact CB-O 3.17Å; S47-N75 WeakPolarHBondContact CB-OD1 3.25Å; G48-N75 PolarHBondContact N-O 3.03Å; N75-L77 PolarHBondContact O-N 3.25Å; N75-D108 PolarHBondContact N-O 2.69Å; N75-S110 CarbonylContact C-O 3.54Å; N75-S110 WeakPolarHBondContact CA-O 3.41Å; N75-S110 VanDerWaalsContact CB-O 3.29Å; N75-S110 WeakPolarHBondContact CB-O 3.02Å
76D96.8Very high95.2Very high55 Ų5551.9 Ų51.929%0.29427%0.272SS..THydrogen-bonded Turntrans5054-176.6-172.726.5000113G48 N49 T79 S110 D111G48-D76 CarbonylContact C-O 3.52Å; G48-D76 VanDerWaalsContact CA-O 3.24Å; G48-D76 WeakPolarHBondContact CA-O 3.26Å; G48-D76 PolarHBondContact N-O 2.91Å; N49-D76 PolarHBondContact N-O 3.29Å; D76-T79 WeakPolarHBondContact OD1-CB 3.33Å; D76-T79 PolarHBondContact OD1-OG1 3.13Å; D76-S110 PolarHBondContact N-O 3.27Å; D76-D111 WeakPolarHBondContact CA-O 3.28Å; D76-D111 HydrophobicContact CB-CB 4.25Å
77L96.9Very high95.2Very high0 Ų052.3 Ų52.30%028%0.276CS..  trans-108.8-17.3-175.7-173.458.6000113.5L46 N49 T50 L51 F74 N75 L93 N112L46-L77 HydrophobicContact CB-CD1 3.81Å; L46-L77 HydrophobicContact CB-CD2 4.39Å; L46-L77 WeakPolarHBondContact O-CD1 3.33Å; N49-L77 HydrophobicContact CB-CD1 4.3Å; N49-L77 CarbonylContact O-C 3.12Å; N49-L77 WeakPolarHBondContact O-CA 3.45Å; N49-L77 VanDerWaalsContact O-O 3.04Å; T50-L77 CarbonylContact C-O 3.21Å; T50-L77 WeakPolarHBondContact CA-O 3.38Å; L51-L77 HydrophobicContact CB-CD1 3.79Å; L51-L77 HydrophobicContact CB-CD2 4.44Å; L51-L77 HydrophobicContact CB-CG 3.82Å; L51-L77 HydrophobicContact CD2-CD1 4.46Å; L51-L77 HydrophobicContact CD2-CD2 3.95Å; L51-L77 HydrophobicContact CD2-CG 4.26Å; L51-L77 PolarHBondContact N-O 3.48Å; F74-L77 HydrophobicContact CB-CD2 3.81Å; F74-L77 HydrophobicContact CD1-CD2 4.25Å; F74-L77 HydrophobicContact CG-CD2 4.1Å; F74-L77 VanDerWaalsContact O-CB 3.24Å; F74-L77 WeakPolarHBondContact O-CB 3.31Å; N75-L77 PolarHBondContact O-N 3.25Å; L77-L93 HydrophobicContact CD2-CD1 4.32Å; L77-N112 WeakPolarHBondContact CA-OD1 3.27Å; L77-N112 PolarHBondContact N-OD1 2.98Å
78F95.9Very high95.3Very high7 Ų746.8 Ų46.83%0.03126%0.261CS..BIsolated β-bridgetrans-116.813.8-176.2-66-72000114.1L51 G80 R81 I86 A89 L90 N112 F114L51-F78 HydrophobicContact CB-CE1 4.17Å; L51-F78 VanDerWaalsContact O-CD1 3.29Å; L51-F78 WeakPolarHBondContact O-CD1 3.5Å; L51-F78 VanDerWaalsContact O-CE1 3.29Å; L51-F78 WeakPolarHBondContact O-CE1 3.05Å; F78-G80 PolarHBondContact O-N 3.02Å; F78-R81 HydrophobicContact CB-CB 4.41Å; F78-R81 HydrophobicContact CB-CG 4.44Å; F78-R81 HydrophobicContact CD1-CG 4.23Å; F78-R81 VanDerWaalsContact O-CB 3.29Å; F78-R81 WeakPolarHBondContact O-CB 3.35Å; F78-R81 PolarHBondContact O-N 3.28Å; F78-I86 HydrophobicContact CB-CD1 4.35Å; F78-I86 HydrophobicContact CB-CG1 4.04Å; F78-I86 HydrophobicContact CD1-CG1 4.2Å; F78-I86 HydrophobicContact CD2-CG2 4.07Å; F78-I86 HydrophobicContact CE2-CG2 4.21Å; F78-I86 HydrophobicContact CG-CG1 4.01Å; F78-I86 HydrophobicContact CG-CG2 4.31Å; F78-A89 HydrophobicContact CE1-CB 3.53Å; F78-A89 HydrophobicContact CZ-CB 3.89Å; F78-L90 HydrophobicContact CE2-CD1 4.23Å; F78-L90 HydrophobicContact CE2-CD2 3.77Å; F78-L90 HydrophobicContact CE2-CG 3.78Å; F78-L90 HydrophobicContact CZ-CD2 4.04Å; F78-L90 HydrophobicContact CZ-CG 3.85Å; F78-N112 HydrophobicContact CD2-CB 4.13Å; F78-N112 WeakPolarHBondContact CD2-OD1 3.49Å; F78-N112 PolarHBondContact N-OD1 3.31Å; F78-F114 AromaticContact CD2-CE1 3.98Å; F78-F114 HydrophobicContact CD2-CE1 3.98Å; F78-F114 HydrophobicContact CE2-CE1 4.18Å
79T90.1Very high95.4Very high78 Ų7843.3 Ų43.348%0.47925%0.245SC..THydrogen-bonded Turntrans-56.8125.8177.2-720000111.1T50 D76T50-T79 WeakPolarHBondContact CB-O 3.48Å; T50-T79 WeakPolarHBondContact CG2-O 3.34Å; T50-T79 PolarHBondContact OG1-O 3.36Å; D76-T79 WeakPolarHBondContact OD1-CB 3.33Å; D76-T79 PolarHBondContact OD1-OG1 3.13Å
80G89.9Confident95.4Very high82 Ų8243.4 Ų43.485%0.84525%0.246SC*.THydrogen-bonded Turntrans80.25.9-177.700000115.7F78F78-G80 PolarHBondContact O-N 3.02Å
81R93.1Very high95.5Very high41 Ų4144 Ų4416%0.15525%0.248CC..  trans-90158.6173.2-63-66.6-178.3-164.1-10.5112.3L22 D23 T50 L51 F78L22-R81 VanDerWaalsContact C-NH2 3.31Å; L22-R81 PolarHBondContact O-NH2 3.12Å; D23-R81 IonicContact OD1-CZ 3.63Å; D23-R81 IonicContact OD1-NH1 2.62Å; D23-R81 PolarHBondContact OD1-NH1 3.34Å; D23-R81 IonicContact OD1-NH2 3.62Å; D23-R81 PolarHBondContact OD1-NH2 3.44Å; T50-R81 HydrophobicContact CG2-CG 3.87Å; T50-R81 PolarHBondContact O-NH2 3.39Å; L51-R81 PolarHBondContact O-NE 3.09Å; F78-R81 HydrophobicContact CB-CB 4.41Å; F78-R81 HydrophobicContact CB-CG 4.44Å; F78-R81 HydrophobicContact CD1-CG 4.23Å; F78-R81 VanDerWaalsContact O-CB 3.29Å; F78-R81 WeakPolarHBondContact O-CB 3.35Å; F78-R81 PolarHBondContact O-N 3.28Å
82L92Very high95.5Very high116 Ų11645.6 Ų45.661%0.60726%0.257SS*.  trans-73.9144.5169.9-59.9174.7000109.8S84 E85L82-S84 PolarHBondContact O-N 3.22Å; L82-S84 VanDerWaalsContact O-N 3.1Å; L82-E85 HydrophobicContact CB-CG 4.12Å; L82-E85 PolarHBondContact N-OE2 2.84Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 3.41Å
83K89.1Confident95.5Very high155 Ų15545.7 Ų45.767%0.67426%0.257SS*.Hα-helixtrans-53.4-34.1176.1-66.2-176.5178.2-177.10112.7E85 I86K83-E85 PolarHBondContact O-N 2.95Å; K83-I86 PolarHBondContact O-N 3.2Å
84S92.5Very high95.5Very high87 Ų8744.7 Ų44.761%0.60825%0.253SS*.Hα-helixtrans-69.1-16.8177.555.70000114.4L82 P88L82-S84 PolarHBondContact O-N 3.22Å; L82-S84 VanDerWaalsContact O-N 3.1Å; S84-P88 VanDerWaalsContact O-CD 3.27Å; S84-P88 WeakPolarHBondContact O-CD 3.48Å; S84-P88 WeakPolarHBondContact O-CG 3.35Å
85E94.5Very high95.6Very high41 Ų4148.2 Ų48.219%0.19227%0.272CS..Hα-helixtrans-87.7-24.9179.5-65.1178.9106.400113.1I53 L82 K83 P88 A89I53-E85 HydrophobicContact CD1-CB 4.21Å; I53-E85 HydrophobicContact CD1-CG 4.08Å; I53-E85 HydrophobicContact CG1-CB 3.95Å; I53-E85 HydrophobicContact CG1-CG 4.18Å; L82-E85 HydrophobicContact CB-CG 4.12Å; L82-E85 PolarHBondContact N-OE2 2.84Å; L82-E85 WeakPolarHBondContact O-CB 3.44Å; L82-E85 PolarHBondContact O-N 3.41Å; K83-E85 PolarHBondContact O-N 2.95Å; E85-P88 WeakPolarHBondContact O-CD 3.4Å; E85-A89 VanDerWaalsContact O-CB 3.29Å; E85-A89 WeakPolarHBondContact O-CB 3.36Å; E85-A89 PolarHBondContact O-N 2.9Å; E85-A89 VanDerWaalsContact O-N 3.09Å
86I95.2Very high95.6Very high6 Ų646.3 Ų46.33%0.03126%0.262CS..Hα-helixtrans-60.6-59.4-172.4-61.4178000111.1F78 K83 A89 L90 F114F78-I86 HydrophobicContact CB-CD1 4.35Å; F78-I86 HydrophobicContact CB-CG1 4.04Å; F78-I86 HydrophobicContact CD1-CG1 4.2Å; F78-I86 HydrophobicContact CD2-CG2 4.07Å; F78-I86 HydrophobicContact CE2-CG2 4.21Å; F78-I86 HydrophobicContact CG-CG1 4.01Å; F78-I86 HydrophobicContact CG-CG2 4.31Å; K83-I86 PolarHBondContact O-N 3.2Å; I86-A89 PolarHBondContact O-N 3.06Å; I86-L90 HydrophobicContact CG2-CD1 3.77Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CG 3.33Å; I86-L90 PolarHBondContact O-N 3.38Å; I86-F114 HydrophobicContact CG2-CD1 3.42Å; I86-F114 VanDerWaalsContact CG2-CD1 3.42Å; I86-F114 HydrophobicContact CG2-CE1 3.73Å; I86-F114 HydrophobicContact CG2-CG 4.28Å
87A96.9Very high95.7Very high11 Ų1143.7 Ų43.79%0.09125%0.248CC..Hα-helixtrans-61.7-45.8-17600000112.9A89 L90 K91 N117 V120A87-A89 PolarHBondContact O-N 3.27Å; A87-L90 PolarHBondContact O-N 3.15Å; A87-K91 WeakPolarHBondContact O-CB 3.39Å; A87-K91 VanDerWaalsContact O-CG 3.3Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 2.78Å; A87-N117 WeakPolarHBondContact CB-O 3.48Å; A87-V120 HydrophobicContact CB-CG2 4.08Å
88P98Very high95.8Very high47 Ų4746 Ų4631%0.30526%0.259SS..Hα-helixtrans-59.3-40.8174.6-25.834.6000114I53 S84 E85 K91 H92I53-P88 HydrophobicContact CD1-CB 3.91Å; I53-P88 HydrophobicContact CD1-CG 4.19Å; I53-P88 HydrophobicContact CG1-CB 4.08Å; I53-P88 HydrophobicContact CG2-CB 4.05Å; S84-P88 VanDerWaalsContact O-CD 3.27Å; S84-P88 WeakPolarHBondContact O-CD 3.48Å; S84-P88 WeakPolarHBondContact O-CG 3.35Å; E85-P88 WeakPolarHBondContact O-CD 3.4Å; P88-K91 PolarHBondContact O-N 2.9Å; P88-H92 PolarHBondContact O-CD2 3.23Å; P88-H92 PolarHBondContact O-N 2.99Å
89A97.9Very high95.9Very high0 Ų049.3 Ų49.30%028%0.28CS..Hα-helixtrans-65.7-45.2176.900000111.7A56 F78 E85 I86 A87 K91 H92 L93A56-A89 HydrophobicContact CB-CB 3.77Å; F78-A89 HydrophobicContact CE1-CB 3.53Å; F78-A89 HydrophobicContact CZ-CB 3.89Å; E85-A89 VanDerWaalsContact O-CB 3.29Å; E85-A89 WeakPolarHBondContact O-CB 3.36Å; E85-A89 PolarHBondContact O-N 2.9Å; E85-A89 VanDerWaalsContact O-N 3.09Å; I86-A89 PolarHBondContact O-N 3.06Å; A87-A89 PolarHBondContact O-N 3.27Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 3.48Å; A89-H92 WeakPolarHBondContact O-CB 3.35Å; A89-H92 PolarHBondContact O-N 3.03Å; A89-L93 PolarHBondContact O-N 3.49Å
90L97.8Very high96.2Very high2 Ų246.2 Ų46.21%0.0126%0.261CS..Hα-helixtrans-60.1-41.9174.3-75.7170.9000111.8F78 I86 A87 H92 L93 S94 L109 F114 I122F78-L90 HydrophobicContact CE2-CD1 4.23Å; F78-L90 HydrophobicContact CE2-CD2 3.77Å; F78-L90 HydrophobicContact CE2-CG 3.78Å; F78-L90 HydrophobicContact CZ-CD2 4.04Å; F78-L90 HydrophobicContact CZ-CG 3.85Å; I86-L90 HydrophobicContact CG2-CD1 3.77Å; I86-L90 HydrophobicContact CG2-CG 4.48Å; I86-L90 WeakPolarHBondContact O-CG 3.33Å; I86-L90 PolarHBondContact O-N 3.38Å; A87-L90 PolarHBondContact O-N 3.15Å; L90-H92 PolarHBondContact O-N 3.23Å; L90-L93 PolarHBondContact O-N 3.26Å; L90-S94 WeakPolarHBondContact O-CB 3.32Å; L90-S94 PolarHBondContact O-N 3.14Å; L90-S94 PolarHBondContact O-OG 2.86Å; L90-L109 HydrophobicContact CD2-CD2 4.25Å; L90-F114 HydrophobicContact CD1-CD1 4.28Å; L90-F114 HydrophobicContact CD1-CE1 3.64Å; L90-F114 HydrophobicContact CD1-CE2 4.04Å; L90-F114 HydrophobicContact CD1-CZ 3.53Å; L90-F114 HydrophobicContact CD2-CZ 4.41Å; L90-I122 HydrophobicContact CB-CG2 4.16Å; L90-I122 HydrophobicContact CD1-CG2 4.02Å; L90-I122 HydrophobicContact CD2-CG2 4.06Å; L90-I122 HydrophobicContact CG-CG2 4.3Å
91K98.5Very high96.6Very high102 Ų10249.4 Ų49.444%0.44325%0.252SS..Hα-helixtrans-57.7-36.1176.6-76.6-178.5-179.1-166.40112.6A87 P88 A89 N95A87-K91 WeakPolarHBondContact O-CB 3.39Å; A87-K91 VanDerWaalsContact O-CG 3.3Å; A87-K91 WeakPolarHBondContact O-CG 3.46Å; A87-K91 PolarHBondContact O-N 2.78Å; P88-K91 PolarHBondContact O-N 2.9Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 3.48Å; K91-N95 VanDerWaalsContact O-CB 3.23Å; K91-N95 WeakPolarHBondContact O-CB 3.48Å; K91-N95 PolarHBondContact O-N 3.42Å
92H98.6Very high96.7Very high60 Ų6047.4 Ų47.428%0.27824%0.244SC..Hα-helixtrans-64.3-44.6173.8-77.2-50.7000112.5A56 G60 P88 A89 L90 G96A56-H92 HydrophobicContact CB-CB 4.13Å; G60-H92 VanDerWaalsContact CA-O 3.27Å; G60-H92 WeakPolarHBondContact CA-O 3.49Å; P88-H92 PolarHBondContact O-CD2 3.23Å; P88-H92 PolarHBondContact O-N 2.99Å; A89-H92 WeakPolarHBondContact O-CB 3.35Å; A89-H92 PolarHBondContact O-N 3.03Å; L90-H92 PolarHBondContact O-N 3.23Å; H92-G96 PolarHBondContact O-N 2.86Å
93L98.5Very high96.9Very high1 Ų145.8 Ų45.81%0.00523%0.234CC..Hα-helixtrans-66-48.6176.9-58.7-177.2000111.3L51 I59 L63 F74 L77 A89 L90 N95 G96 L97L51-L93 HydrophobicContact CD2-CD1 3.84Å; L51-L93 HydrophobicContact CD2-CD2 4.47Å; L51-L93 HydrophobicContact CD2-CG 4.4Å; I59-L93 HydrophobicContact CB-CD2 4.03Å; I59-L93 HydrophobicContact CG2-CD2 3.65Å; L63-L93 HydrophobicContact CD1-CD2 4.2Å; F74-L93 HydrophobicContact CD2-CD1 4.29Å; F74-L93 HydrophobicContact CE2-CB 4.46Å; F74-L93 HydrophobicContact CE2-CD1 4.02Å; F74-L93 HydrophobicContact CZ-CD1 4.2Å; L77-L93 HydrophobicContact CD2-CD1 4.32Å; A89-L93 PolarHBondContact O-N 3.49Å; L90-L93 PolarHBondContact O-N 3.26Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.86Å; L93-G96 PolarHBondContact O-N 3.48Å; L93-G96 VanDerWaalsContact O-N 3.13Å; L93-L97 PolarHBondContact O-N 3.1Å
94S98.4Very high97.4Very high5 Ų538.4 Ų38.44%0.03520%0.201CC..Hα-helixtrans-53.1-48.6175.9-65.20000111.7L90 G96 L97 M98 G121L90-S94 WeakPolarHBondContact O-CB 3.32Å; L90-S94 PolarHBondContact O-N 3.14Å; L90-S94 PolarHBondContact O-OG 2.86Å; S94-G96 VanDerWaalsContact C-N 3.34Å; S94-G96 PolarHBondContact O-N 2.75Å; S94-L97 PolarHBondContact O-N 2.96Å; S94-M98 WeakPolarHBondContact O-CG 3.27Å; S94-M98 PolarHBondContact O-N 3.36Å; S94-G121 PolarHBondContact OG-O 3.05Å
95N98.6Very high97.6Very high77 Ų7736.4 Ų36.441%0.41219%0.185SC..Hα-helixtrans-61.6-42178.4-175.663.3000112.1K91 L93 L97 M98 V99K91-N95 VanDerWaalsContact O-CB 3.23Å; K91-N95 WeakPolarHBondContact O-CB 3.48Å; K91-N95 PolarHBondContact O-N 3.42Å; L93-N95 VanDerWaalsContact C-N 3.34Å; L93-N95 PolarHBondContact O-N 2.86Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 2.9Å; N95-M98 PolarHBondContact O-N 3.24Å; N95-V99 WeakPolarHBondContact O-CB 3.34Å; N95-V99 VanDerWaalsContact O-CG2 3.25Å; N95-V99 WeakPolarHBondContact O-CG2 3.49Å; N95-V99 PolarHBondContact O-N 3.25Å
96G98.4Very high97.8Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-57.7-45.9175.200000113G60 E64 H92 L93 S94 S100G60-G96 WeakPolarHBondContact O-CA 3.36Å; E64-G96 WeakPolarHBondContact CA-O 3.39Å; H92-G96 PolarHBondContact O-N 2.86Å; L93-G96 PolarHBondContact O-N 3.48Å; L93-G96 VanDerWaalsContact O-N 3.13Å; S94-G96 VanDerWaalsContact C-N 3.34Å; S94-G96 PolarHBondContact O-N 2.75Å; G96-S100 WeakPolarHBondContact O-CB 3.26Å; G96-S100 PolarHBondContact O-N 2.93Å; G96-S100 PolarHBondContact O-OG 3.29Å
97L98.5Very high98Very high0 Ų034.9 Ų34.90%018%0.178CC..Hα-helixtrans-66.2-41.2178.2-67171.6000112.6L63 I69 L93 S94 N95 S100 K101 S102 L125 T130L63-L97 HydrophobicContact CD1-CD2 4.32Å; L63-L97 HydrophobicContact CD1-CG 4.32Å; L63-L97 HydrophobicContact CD2-CD2 4.19Å; I69-L97 HydrophobicContact CG2-CD2 4.06Å; L93-L97 PolarHBondContact O-N 3.1Å; S94-L97 PolarHBondContact O-N 2.96Å; N95-L97 VanDerWaalsContact C-N 3.35Å; N95-L97 PolarHBondContact O-N 2.9Å; L97-S100 PolarHBondContact O-OG 2.92Å; L97-K101 PolarHBondContact O-N 3.47Å; L97-S102 PolarHBondContact O-N 3.35Å; L97-S102 PolarHBondContact O-OG 2.67Å; L97-L125 HydrophobicContact CB-CD1 4.09Å; L97-L125 HydrophobicContact CD1-CD1 4.39Å; L97-L125 HydrophobicContact CD1-CD2 4.12Å; L97-T130 HydrophobicContact CB-CG2 4.13Å; L97-T130 PolarHBondContact O-OG1 3.49Å
98M98.5Very high98.1Very high49 Ų4935.3 Ų35.324%0.24118%0.179CC..Hα-helixtrans-66.4-44.3177.5-71.6-171.8-67.200112.5S94 N95 S100 K101 D124 L125 T130S94-M98 WeakPolarHBondContact O-CG 3.27Å; S94-M98 PolarHBondContact O-N 3.36Å; N95-M98 PolarHBondContact O-N 3.24Å; M98-S100 VanDerWaalsContact C-N 3.35Å; M98-K101 PolarHBondContact O-N 3.09Å; M98-K101 VanDerWaalsContact O-N 3.12Å; M98-D124 HydrophobicContact CE-CB 4.28Å; M98-D124 HydrophobicContact SD-CB 4.42Å; M98-L125 HydrophobicContact CG-CD1 4Å; M98-T130 WeakPolarHBondContact CA-OG1 3.27Å
99V98.4Very high98.1Very high76 Ų7633 Ų3346%0.46116%0.164SC..Hα-helixtrans-66.1-38.9178.5170.50000111.2E64 N95 K101E64-V99 HydrophobicContact CB-CB 4.44Å; E64-V99 HydrophobicContact CB-CG1 3.97Å; E64-V99 HydrophobicContact CG-CB 4.01Å; E64-V99 HydrophobicContact CG-CG1 3.86Å; N95-V99 WeakPolarHBondContact O-CB 3.34Å; N95-V99 VanDerWaalsContact O-CG2 3.25Å; N95-V99 WeakPolarHBondContact O-CG2 3.49Å; N95-V99 PolarHBondContact O-N 3.25Å; V99-K101 PolarHBondContact O-N 3.06Å
100S97.5Very high98.1Very high13 Ų1333.3 Ų33.39%0.09117%0.166CC..Hα-helixtrans-67.4-16176.477.30000113L63 E64 G96 L97 M98 S102L63-S100 VanDerWaalsContact O-CB 3.25Å; L63-S100 WeakPolarHBondContact O-CB 3.39Å; E64-S100 WeakPolarHBondContact O-CA 3.46Å; E64-S100 VanDerWaalsContact O-CB 3.29Å; E64-S100 WeakPolarHBondContact O-CB 3.35Å; G96-S100 WeakPolarHBondContact O-CB 3.26Å; G96-S100 PolarHBondContact O-N 2.93Å; G96-S100 PolarHBondContact O-OG 3.29Å; L97-S100 PolarHBondContact O-OG 2.92Å; M98-S100 VanDerWaalsContact C-N 3.35Å; S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 WeakPolarHBondContact OG-CB 3.48Å; S100-S102 PolarHBondContact OG-N 2.89Å; S100-S102 PolarHBondContact OG-OG 3.25Å
101K96.8Very high98Very high148 Ų14836.5 Ų36.564%0.64318%0.183SC*.THydrogen-bonded Turntrans53.135.5-171.5-54.2-179-178.3-178.90111.5L97 M98 V99L97-K101 PolarHBondContact O-N 3.47Å; M98-K101 PolarHBondContact O-N 3.09Å; M98-K101 VanDerWaalsContact O-N 3.12Å; V99-K101 PolarHBondContact O-N 3.06Å
102S95.5Very high97.9Very high0 Ų031.9 Ų31.90%016%0.163CC..  trans-53.1151.8169.356.60000109.7I69 L97 S100 T130I69-S102 WeakPolarHBondContact O-CB 3.38Å; L97-S102 PolarHBondContact O-N 3.35Å; L97-S102 PolarHBondContact O-OG 2.67Å; S100-S102 PolarHBondContact O-N 3.39Å; S100-S102 WeakPolarHBondContact OG-CB 3.48Å; S100-S102 PolarHBondContact OG-N 2.89Å; S100-S102 PolarHBondContact OG-OG 3.25Å; S102-T130 VanDerWaalsContact O-CA 3.27Å; S102-T130 WeakPolarHBondContact O-CA 3.38Å; S102-T130 WeakPolarHBondContact O-CG2 3.45Å; S102-T130 WeakPolarHBondContact OG-CG2 3.16Å
103Q97.1Very high97.4Very high82 Ų8231.9 Ų31.938%0.38317%0.174SC..  trans-118.483.3177.6-67.1-65.3-85.300105.4N129 T133Q103-N129 PolarHBondContact NE2-O 3.16Å; Q103-T133 WeakPolarHBondContact CA-OG1 3.43Å; Q103-T133 HydrophobicContact CB-CG2 4.09Å; Q103-T133 WeakPolarHBondContact CB-OG1 3.4Å; Q103-T133 PolarHBondContact O-OG1 2.85Å
104I98.1Very high96.9Very high0 Ų032 Ų320%017%0.174CC..  trans-76143.3-173.170170.7000109.9I69 K70 L107 T130 T133 L134I69-I104 HydrophobicContact CG2-CG2 4.46Å; K70-I104 CarbonylContact O-C 3.48Å; K70-I104 WeakPolarHBondContact O-CA 3.48Å; I104-L107 HydrophobicContact CD1-CB 4.22Å; I104-L107 HydrophobicContact CD1-CD2 4.38Å; I104-T130 HydrophobicContact CG1-CG2 4.2Å; I104-T130 WeakPolarHBondContact CG1-O 3.46Å; I104-T130 HydrophobicContact CG2-CG2 4.13Å; I104-T130 PolarHBondContact N-O 3.05Å; I104-T133 PolarHBondContact N-OG1 2.65Å; I104-T133 CarbonylContact O-C 3.24Å; I104-T133 PolarHBondContact O-OG1 3.27Å; I104-L134 HydrophobicContact CD1-CD1 4.22Å; I104-L134 HydrophobicContact CG1-CD1 4.1Å; I104-L134 WeakPolarHBondContact O-CA 3.41Å; I104-L134 PolarHBondContact O-N 2.86Å; I104-L134 VanDerWaalsContact O-N 3.13Å
105V98.3Very high96.5Very high44 Ų4432.3 Ų32.327%0.26718%0.178SC..SBendtrans-113.1-28.7-177.9-178.40000110.3K70 E135 I136K70-V105 HydrophobicContact CB-CG2 4.39Å; K70-V105 PolarHBondContact O-N 3.3Å; V105-E135 HydrophobicContact CG1-CB 4.03Å; V105-E135 HydrophobicContact CG1-CG 4.05Å; V105-E135 PolarHBondContact O-N 3.09Å; V105-I136 PolarHBondContact O-N 3.21Å
106E98.6Very high96.3Very high14 Ų1430.8 Ų30.87%0.06517%0.172CC..EExtended strand (participates in β ladder)trans-134.5130.1179-178175.1-165.100111.6K70 R71 C72 L73 I136 R138K70-E106 PolarHBondContact O-N 3.46Å; K70-E106 VanDerWaalsContact O-N 3.14Å; R71-E106 WeakPolarHBondContact CA-O 3.32Å; R71-E106 HydrophobicContact CB-CB 4.18Å; R71-E106 WeakPolarHBondContact CD-OE2 3.26Å; R71-E106 HydrophobicContact CG-CB 3.86Å; C72-E106 PolarHBondContact N-O 3Å; L73-E106 HydrophobicContact CD2-CG 4.38Å; E106-I136 WeakPolarHBondContact CA-O 3.24Å; E106-I136 HydrophobicContact CB-CB 4.11Å; E106-I136 HydrophobicContact CG-CB 3.95Å; E106-I136 HydrophobicContact CG-CD1 4.47Å; E106-I136 HydrophobicContact CG-CG2 3.9Å; E106-R138 IonicContact OE1-CZ 2.68Å; E106-R138 IonicContact OE1-NH1 2.85Å; E106-R138 PolarHBondContact OE1-NH1 3.43Å
107L98.6Very high96Very high1 Ų136.5 Ų36.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-130.8112.5173-178.657.9000109C72 F74 I104 L109 L125 L126 L134 I136 L137 R138C72-L107 HydrophobicContact CB-CD1 3.71Å; F74-L107 HydrophobicContact CD2-CD1 4.21Å; F74-L107 HydrophobicContact CE2-CD1 4.48Å; I104-L107 HydrophobicContact CD1-CB 4.22Å; I104-L107 HydrophobicContact CD1-CD2 4.38Å; L107-L109 HydrophobicContact CD1-CD1 4.42Å; L107-L109 HydrophobicContact CD1-CD2 4.08Å; L107-L109 HydrophobicContact CD1-CG 4.09Å; L107-L109 HydrophobicContact CD2-CD1 3.86Å; L107-L109 HydrophobicContact CD2-CG 4.41Å; L107-L109 HydrophobicContact CG-CD1 3.9Å; L107-L109 HydrophobicContact CG-CD2 4.43Å; L107-L109 HydrophobicContact CG-CG 3.93Å; L107-L125 HydrophobicContact CD2-CD2 4.2Å; L107-L126 HydrophobicContact CD2-CD2 4.17Å; L107-L134 HydrophobicContact CB-CD1 3.84Å; L107-I136 PolarHBondContact N-O 2.66Å; L107-L137 HydrophobicContact CB-CD1 4.24Å; L107-L137 HydrophobicContact CD2-CD1 4.31Å; L107-L137 HydrophobicContact CG-CD1 4.33Å; L107-R138 PolarHBondContact O-N 3.36Å
108D98.7Very high95.8Very high20 Ų2036.5 Ų36.511%0.10720%0.203CC..EExtended strand (participates in β ladder)trans-108.5117.3173.8-164.7-16.3000110C72 L73 F74 N75 S110 R138C72-D108 PolarHBondContact O-N 3.46Å; L73-D108 HydrophobicContact CD2-CB 3.97Å; F74-D108 CarbonylContact C-O 3.39Å; F74-D108 VanDerWaalsContact CA-O 3.32Å; F74-D108 WeakPolarHBondContact CA-O 3.42Å; F74-D108 WeakPolarHBondContact CB-O 3.37Å; F74-D108 PolarHBondContact N-O 2.95Å; N75-D108 PolarHBondContact N-O 2.69Å; D108-S110 WeakPolarHBondContact OD1-CB 3.48Å; D108-S110 PolarHBondContact OD1-N 3.5Å; D108-S110 PolarHBondContact OD1-OG 3.07Å; D108-R138 HydrophobicContact CB-CB 4.26Å; D108-R138 WeakPolarHBondContact OD1-CB 3.33Å
109L98.1Very high95.6Very high0 Ų034.1 Ų34.10%019%0.192CC..  trans-116.98.7-179.5-64.2163.8000111.4F74 L90 L107 N112 F114 I122 R138 M139 Q142F74-L109 HydrophobicContact CB-CD2 4.15Å; F74-L109 HydrophobicContact CD2-CD2 4.22Å; L90-L109 HydrophobicContact CD2-CD2 4.25Å; L107-L109 HydrophobicContact CD1-CD1 4.42Å; L107-L109 HydrophobicContact CD1-CD2 4.08Å; L107-L109 HydrophobicContact CD1-CG 4.09Å; L107-L109 HydrophobicContact CD2-CD1 3.86Å; L107-L109 HydrophobicContact CD2-CG 4.41Å; L107-L109 HydrophobicContact CG-CD1 3.9Å; L107-L109 HydrophobicContact CG-CD2 4.43Å; L107-L109 HydrophobicContact CG-CG 3.93Å; L109-N112 PolarHBondContact O-ND2 2.69Å; L109-F114 HydrophobicContact CB-CE2 3.82Å; L109-F114 HydrophobicContact CB-CZ 3.85Å; L109-F114 HydrophobicContact CD1-CE2 4.07Å; L109-F114 HydrophobicContact CD2-CE2 4.24Å; L109-F114 HydrophobicContact CD2-CZ 3.87Å; L109-F114 HydrophobicContact CG-CE2 4.25Å; L109-F114 HydrophobicContact CG-CZ 4.28Å; L109-I122 HydrophobicContact CD1-CG1 4.11Å; L109-I122 HydrophobicContact CD1-CG2 4.32Å; L109-R138 PolarHBondContact N-O 3.18Å; L109-M139 HydrophobicContact CB-CG 4.48Å; L109-M139 HydrophobicContact CD1-CE 4.15Å; L109-M139 HydrophobicContact CD1-CG 4.44Å; L109-M139 HydrophobicContact CD1-SD 4.46Å; L109-Q142 PolarHBondContact O-NE2 2.58Å; L109-Q142 PolarHBondContact O-OE1 3.23Å
110S98.2Very high95.5Very high6 Ų632.5 Ų32.54%0.04218%0.181CC..  trans-57.8154.6-171-53.50000113.7N75 D76 D108 N112 N140 Q142N75-S110 CarbonylContact C-O 3.54Å; N75-S110 WeakPolarHBondContact CA-O 3.41Å; N75-S110 VanDerWaalsContact CB-O 3.29Å; N75-S110 WeakPolarHBondContact CB-O 3.02Å; D76-S110 PolarHBondContact N-O 3.27Å; D108-S110 WeakPolarHBondContact OD1-CB 3.48Å; D108-S110 PolarHBondContact OD1-N 3.5Å; D108-S110 PolarHBondContact OD1-OG 3.07Å; S110-N112 PolarHBondContact O-N 3.49Å; S110-N112 PolarHBondContact O-ND2 3.37Å; S110-N140 CarbonylContact C-O 3.57Å; S110-N140 VanDerWaalsContact CA-O 3.24Å; S110-N140 WeakPolarHBondContact CA-O 3.49Å; S110-N140 PolarHBondContact OG-N 2.91Å; S110-Q142 VanDerWaalsContact CA-NE2 3.31Å
111D96.6Very high95.5Very high68 Ų6832 Ų3236%0.36418%0.179SC..SBendtrans57.840.9176.3-55.5-58.3000115.9D76 N140 N141D76-D111 WeakPolarHBondContact CA-O 3.28Å; D76-D111 HydrophobicContact CB-CB 4.25Å; D111-N140 PolarHBondContact N-O 3.28Å; D111-N141 WeakPolarHBondContact OD1-CB 3.17Å; D111-N141 PolarHBondContact OD1-ND2 3.45Å
112N95Very high95.5Very high6 Ų625.1 Ų25.13%0.03215%0.149CC..  trans-118.6-2.9178.2-77.1-63.9000114.7F74 L77 F78 L109 S110 F114F74-N112 PolarHBondContact O-ND2 2.82Å; L77-N112 WeakPolarHBondContact CA-OD1 3.27Å; L77-N112 PolarHBondContact N-OD1 2.98Å; F78-N112 HydrophobicContact CD2-CB 4.13Å; F78-N112 WeakPolarHBondContact CD2-OD1 3.49Å; F78-N112 PolarHBondContact N-OD1 3.31Å; L109-N112 PolarHBondContact O-ND2 2.69Å; S110-N112 PolarHBondContact O-N 3.49Å; S110-N112 PolarHBondContact O-ND2 3.37Å; N112-F114 HydrophobicContact CB-CD1 3.52Å; N112-F114 HydrophobicContact CB-CE1 3.17Å; N112-F114 HydrophobicContact CB-CZ 3.96Å; N112-F114 PolarHBondContact O-N 3.3Å; N112-F114 VanDerWaalsContact O-N 3.12Å
113A89.1Confident95.7Very high60 Ų6026.4 Ų26.450%0.49616%0.157SC..  trans48.241.5176.900000114G115 N141 Q142A113-G115 PolarHBondContact O-N 3.11Å; A113-N141 PolarHBondContact N-O 3.23Å; A113-Q142 CarbonylContact C-O 3.44Å; A113-Q142 VanDerWaalsContact C-O 3.25Å; A113-Q142 WeakPolarHBondContact CA-O 3.34Å
114F86.9Confident95.7Very high2 Ų227.1 Ų27.11%0.00916%0.163CC..  trans-49.8-43.6-178.8-70.4-8.8000113.4F78 I86 L90 L109 N112 G118 V119 M139 Q142F78-F114 AromaticContact CD2-CE1 3.98Å; F78-F114 HydrophobicContact CD2-CE1 3.98Å; F78-F114 HydrophobicContact CE2-CE1 4.18Å; I86-F114 HydrophobicContact CG2-CD1 3.42Å; I86-F114 VanDerWaalsContact CG2-CD1 3.42Å; I86-F114 HydrophobicContact CG2-CE1 3.73Å; I86-F114 HydrophobicContact CG2-CG 4.28Å; L90-F114 HydrophobicContact CD1-CD1 4.28Å; L90-F114 HydrophobicContact CD1-CE1 3.64Å; L90-F114 HydrophobicContact CD1-CE2 4.04Å; L90-F114 HydrophobicContact CD1-CZ 3.53Å; L90-F114 HydrophobicContact CD2-CZ 4.41Å; L109-F114 HydrophobicContact CB-CE2 3.82Å; L109-F114 HydrophobicContact CB-CZ 3.85Å; L109-F114 HydrophobicContact CD1-CE2 4.07Å; L109-F114 HydrophobicContact CD2-CE2 4.24Å; L109-F114 HydrophobicContact CD2-CZ 3.87Å; L109-F114 HydrophobicContact CG-CE2 4.25Å; L109-F114 HydrophobicContact CG-CZ 4.28Å; N112-F114 HydrophobicContact CB-CD1 3.52Å; N112-F114 HydrophobicContact CB-CE1 3.17Å; N112-F114 HydrophobicContact CB-CZ 3.96Å; N112-F114 PolarHBondContact O-N 3.3Å; N112-F114 VanDerWaalsContact O-N 3.12Å; F114-G118 VanDerWaalsContact O-CA 3.26Å; F114-G118 WeakPolarHBondContact O-CA 3.49Å; F114-G118 PolarHBondContact O-N 3.31Å; F114-V119 HydrophobicContact CD2-CB 4.47Å; F114-M139 HydrophobicContact CD2-CE 4.14Å; F114-M139 HydrophobicContact CE2-CE 4.13Å; F114-Q142 HydrophobicContact CB-CB 4.35Å; F114-Q142 HydrophobicContact CD2-CG 4.27Å; F114-Q142 PolarHBondContact N-O 2.9Å; F114-Q142 VanDerWaalsContact N-O 3.09Å
115G91Very high95.7Very high12 Ų1227.2 Ų27.212%0.12416%0.164CC..Hα-helixtrans58.9-174.8-160.900000112.8A113 N117 G118 V119 Q142 G143A113-G115 PolarHBondContact O-N 3.11Å; G115-N117 PolarHBondContact O-N 3.08Å; G115-G118 PolarHBondContact O-N 3.01Å; G115-V119 PolarHBondContact O-N 3.07Å; G115-Q142 PolarHBondContact N-O 3.33Å; G115-G143 WeakPolarHBondContact CA-O 3.43Å
116P93.5Very high95.8Very high45 Ų4525.1 Ų25.129%0.29215%0.151SC..Hα-helixtrans-61.4-29.4175.823.6-32.9000112.6V119 E147P116-V119 WeakPolarHBondContact O-CG1 3.26Å; P116-E147 HydrophobicContact CB-CB 3.93Å
117N93.2Very high95.7Very high120 Ų12024.7 Ų24.764%0.64215%0.15SC*.Hα-helixtrans-79.7-22.8-179.6-65.6-18.9000113.9A87 G115 V120A87-N117 WeakPolarHBondContact CB-O 3.48Å; G115-N117 PolarHBondContact O-N 3.08Å; N117-V120 WeakPolarHBondContact O-CG2 3.47Å
118G93.2Very high95.7Very high0 Ų025.5 Ų25.50%016%0.156CC..Hα-helixtrans-86.2-39.3178.500000112.2F114 G115 V120 G121F114-G118 VanDerWaalsContact O-CA 3.26Å; F114-G118 WeakPolarHBondContact O-CA 3.49Å; F114-G118 PolarHBondContact O-N 3.31Å; G115-G118 PolarHBondContact O-N 3.01Å; G118-V120 PolarHBondContact O-N 2.97Å; G118-G121 PolarHBondContact O-N 3.28Å
119V95.8Very high95.7Very high0 Ų028.1 Ų28.10%017%0.17CC..Hα-helixtrans-61.9-29.2-174.9690000112.8F114 G115 P116 G121 I122 M139 L144 Y151F114-V119 HydrophobicContact CD2-CB 4.47Å; G115-V119 PolarHBondContact O-N 3.07Å; P116-V119 WeakPolarHBondContact O-CG1 3.26Å; V119-G121 PolarHBondContact O-N 3.41Å; V119-I122 HydrophobicContact CG2-CD1 3.75Å; V119-I122 HydrophobicContact CG2-CG1 4.34Å; V119-I122 VanDerWaalsContact O-CD1 3.23Å; V119-I122 WeakPolarHBondContact O-CD1 3.28Å; V119-I122 VanDerWaalsContact O-CG1 3.25Å; V119-I122 WeakPolarHBondContact O-CG1 3.38Å; V119-I122 PolarHBondContact O-N 3.1Å; V119-M139 HydrophobicContact CG2-CE 3.99Å; V119-L144 HydrophobicContact CB-CD2 3.82Å; V119-L144 HydrophobicContact CG1-CD2 4.27Å; V119-L144 HydrophobicContact CG2-CD2 4.05Å; V119-Y151 HydrophobicContact CG1-CD2 4.17Å; V119-Y151 HydrophobicContact CG1-CG 4.48Å
120V96.4Very high95.7Very high41 Ų4128.1 Ų28.125%0.24817%0.17CC..THydrogen-bonded Turntrans-58.1-18173.2-61.90000113.5A87 N117 G118 I122 T123 Y151A87-V120 HydrophobicContact CB-CG2 4.08Å; N117-V120 WeakPolarHBondContact O-CG2 3.47Å; G118-V120 PolarHBondContact O-N 2.97Å; V120-I122 PolarHBondContact O-N 3.34Å; V120-T123 PolarHBondContact O-OG1 3.24Å; V120-Y151 HydrophobicContact CG1-CD1 4.14Å; V120-Y151 HydrophobicContact CG1-CD2 3.97Å; V120-Y151 HydrophobicContact CG1-CE1 4.25Å; V120-Y151 HydrophobicContact CG1-CE2 4.1Å; V120-Y151 HydrophobicContact CG1-CG 4Å
121G96.6Very high95.7Very high4 Ų427.9 Ų27.94%0.04117%0.168CC..THydrogen-bonded Turntrans-68.5-15.8174.100000115.3S94 G118 V119S94-G121 PolarHBondContact OG-O 3.05Å; G118-G121 PolarHBondContact O-N 3.28Å; V119-G121 PolarHBondContact O-N 3.41Å
122I97.7Very high95.7Very high2 Ų226.7 Ų26.71%0.0116%0.16CC..THydrogen-bonded Turntrans-120.2-2-179.556.865.6000114L90 L109 V119 V120 D124 L125 L126L90-I122 HydrophobicContact CB-CG2 4.16Å; L90-I122 HydrophobicContact CD1-CG2 4.02Å; L90-I122 HydrophobicContact CD2-CG2 4.06Å; L90-I122 HydrophobicContact CG-CG2 4.3Å; L109-I122 HydrophobicContact CD1-CG1 4.11Å; L109-I122 HydrophobicContact CD1-CG2 4.32Å; V119-I122 HydrophobicContact CG2-CD1 3.75Å; V119-I122 HydrophobicContact CG2-CG1 4.34Å; V119-I122 VanDerWaalsContact O-CD1 3.23Å; V119-I122 WeakPolarHBondContact O-CD1 3.28Å; V119-I122 VanDerWaalsContact O-CG1 3.25Å; V119-I122 WeakPolarHBondContact O-CG1 3.38Å; V119-I122 PolarHBondContact O-N 3.1Å; V120-I122 PolarHBondContact O-N 3.34Å; I122-D124 PolarHBondContact O-N 3.45Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 2.89Å; I122-L125 VanDerWaalsContact O-N 3.1Å; I122-L126 HydrophobicContact CD1-CD1 3.52Å; I122-L126 HydrophobicContact CD1-CG 4.01Å; I122-L126 PolarHBondContact O-N 3.04Å
123T98.3Very high95.9Very high27 Ų2728.9 Ų28.917%0.16617%0.174CC..Hα-helixtrans-58.8-51.3-178.249.30000111.9V120 L125 L126 A127 A155V120-T123 PolarHBondContact O-OG1 3.24Å; T123-L125 PolarHBondContact O-N 3.14Å; T123-L126 PolarHBondContact O-N 3.44Å; T123-A127 PolarHBondContact O-N 3.05Å; T123-A155 HydrophobicContact CG2-CB 4.09Å
124D98.4Very high96.4Very high97 Ų9726 Ų2652%0.51915%0.15SC..Hα-helixtrans-56.3-37.9174.6-62.9-29.3000112.2M98 I122 S128M98-D124 HydrophobicContact CE-CB 4.28Å; M98-D124 HydrophobicContact SD-CB 4.42Å; I122-D124 PolarHBondContact O-N 3.45Å; D124-S128 VanDerWaalsContact O-CB 3.26Å; D124-S128 WeakPolarHBondContact O-CB 3.38Å; D124-S128 PolarHBondContact O-N 3.41Å
125L98.6Very high96.9Very high3 Ų329.4 Ų29.42%0.01617%0.166CC..Hα-helixtrans-66.4-48.6178.4176.364000111.1L97 M98 L107 I122 T123 A127 S128 T130 C131L97-L125 HydrophobicContact CB-CD1 4.09Å; L97-L125 HydrophobicContact CD1-CD1 4.39Å; L97-L125 HydrophobicContact CD1-CD2 4.12Å; M98-L125 HydrophobicContact CG-CD1 4Å; L107-L125 HydrophobicContact CD2-CD2 4.2Å; I122-L125 WeakPolarHBondContact O-CB 3.47Å; I122-L125 PolarHBondContact O-N 2.89Å; I122-L125 VanDerWaalsContact O-N 3.1Å; T123-L125 PolarHBondContact O-N 3.14Å; L125-A127 VanDerWaalsContact C-N 3.35Å; L125-S128 WeakPolarHBondContact O-CB 3.4Å; L125-S128 PolarHBondContact O-N 3.03Å; L125-S128 VanDerWaalsContact O-N 3.16Å; L125-S128 PolarHBondContact O-OG 2.96Å; L125-T130 HydrophobicContact CD1-CG2 3.77Å; L125-C131 PolarHBondContact O-SG 3.25Å
126L98.5Very high97.3Very high0 Ų030.3 Ų30.30%017%0.168CC..Hα-helixtrans-63.1-39.3179.1-71-177.6000112.1L107 I122 T123 S128 L134 L137 L152 A155 L156L107-L126 HydrophobicContact CD2-CD2 4.17Å; I122-L126 HydrophobicContact CD1-CD1 3.52Å; I122-L126 HydrophobicContact CD1-CG 4.01Å; I122-L126 PolarHBondContact O-N 3.04Å; T123-L126 PolarHBondContact O-N 3.44Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 2.91Å; L126-L134 HydrophobicContact CD2-CD2 3.89Å; L126-L137 HydrophobicContact CD2-CD2 4.43Å; L126-L152 HydrophobicContact CD1-CD1 3.5Å; L126-A155 HydrophobicContact CB-CB 4.06Å; L126-A155 HydrophobicContact CD1-CB 4.49Å; L126-L156 HydrophobicContact CD1-CD2 4.31Å; L126-L156 HydrophobicContact CD2-CD2 4.47Å
127A98.2Very high97.5Very high5 Ų528.2 Ų28.24%0.04115%0.154CC..Hα-helixtrans-71.4-22.2175.800000113T123 L125 E158 G159 L162T123-A127 PolarHBondContact O-N 3.05Å; L125-A127 VanDerWaalsContact C-N 3.35Å; A127-E158 HydrophobicContact CB-CB 4.11Å; A127-E158 HydrophobicContact CB-CG 4Å; A127-G159 WeakPolarHBondContact O-CA 3.17Å; A127-L162 VanDerWaalsContact O-CD1 3.3Å; A127-L162 WeakPolarHBondContact O-CD1 3.46Å
128S98.3Very high97.8Very high17 Ų1725.2 Ų25.212%0.11913%0.134CC..SBendtrans-74.7163.5-174.878.50000114D124 L125 L126 T130 C131 H132D124-S128 VanDerWaalsContact O-CB 3.26Å; D124-S128 WeakPolarHBondContact O-CB 3.38Å; D124-S128 PolarHBondContact O-N 3.41Å; L125-S128 WeakPolarHBondContact O-CB 3.4Å; L125-S128 PolarHBondContact O-N 3.03Å; L125-S128 VanDerWaalsContact O-N 3.16Å; L125-S128 PolarHBondContact O-OG 2.96Å; L126-S128 VanDerWaalsContact C-N 3.27Å; L126-S128 PolarHBondContact O-N 2.91Å; S128-T130 PolarHBondContact O-N 3.15Å; S128-T130 WeakPolarHBondContact OG-CB 3.09Å; S128-T130 PolarHBondContact OG-N 3.5Å; S128-C131 PolarHBondContact O-N 3.28Å; S128-C131 VanDerWaalsContact O-N 3.1Å; S128-H132 PolarHBondContact O-CD2 3.37Å
129N97.4Very high98Very high76 Ų7625.2 Ų25.241%0.40613%0.134SC..THydrogen-bonded Turntrans-58.1-15.7171.168.3-3.6000114.7Q103 C131Q103-N129 PolarHBondContact NE2-O 3.16Å; N129-C131 VanDerWaalsContact C-N 3.28Å
130T98.2Very high98.1Very high0 Ų026.1 Ų26.10%014%0.138CC..THydrogen-bonded Turntrans-68.8-31.7178.6-64.30000111.7L97 M98 S102 I104 L125 S128L97-T130 HydrophobicContact CB-CG2 4.13Å; L97-T130 PolarHBondContact O-OG1 3.49Å; M98-T130 WeakPolarHBondContact CA-OG1 3.27Å; S102-T130 VanDerWaalsContact O-CA 3.27Å; S102-T130 WeakPolarHBondContact O-CA 3.38Å; S102-T130 WeakPolarHBondContact O-CG2 3.45Å; S102-T130 WeakPolarHBondContact OG-CG2 3.16Å; I104-T130 HydrophobicContact CG1-CG2 4.2Å; I104-T130 WeakPolarHBondContact CG1-O 3.46Å; I104-T130 HydrophobicContact CG2-CG2 4.13Å; I104-T130 PolarHBondContact N-O 3.05Å; L125-T130 HydrophobicContact CD1-CG2 3.77Å; S128-T130 PolarHBondContact O-N 3.15Å; S128-T130 WeakPolarHBondContact OG-CB 3.09Å; S128-T130 PolarHBondContact OG-N 3.5Å
131C98.5Very high98.2Very high0 Ų026.5 Ų26.50%014%0.139CC..SBendtrans-99.22.4179.9-69.50000113.7L125 S128 N129 T133 L134 L168L125-C131 PolarHBondContact O-SG 3.25Å; S128-C131 PolarHBondContact O-N 3.28Å; S128-C131 VanDerWaalsContact O-N 3.1Å; N129-C131 VanDerWaalsContact C-N 3.28Å; C131-T133 PolarHBondContact O-N 3.34Å; C131-T133 VanDerWaalsContact O-N 3.09Å; C131-L134 HydrophobicContact CB-CB 4.22Å; C131-L134 HydrophobicContact CB-CD2 4.41Å; C131-L134 WeakPolarHBondContact O-CB 3.31Å; C131-L134 PolarHBondContact O-N 2.8Å; C131-L168 HydrophobicContact CB-CD2 4.13Å; C131-L168 WeakPolarHBondContact O-CD2 3.43Å; C131-L168 WeakPolarHBondContact O-CG 3.21Å
132H98.1Very high98.1Very high44 Ų4426.3 Ų26.320%0.20414%0.137CC..THydrogen-bonded Turntrans-58.7-25.8176.5-72.6-176.7000112.8S128 G167 L168S128-H132 PolarHBondContact O-CD2 3.37Å; H132-G167 CarbonylContact O-C 3.42Å; H132-G167 WeakPolarHBondContact O-CA 3.47Å; H132-L168 PolarHBondContact O-N 2.91Å
133T98.1Very high98Very high52 Ų5228.3 Ų28.332%0.31916%0.158SC..THydrogen-bonded Turntrans-95.46.917654.20000113.9Q103 I104 C131 E135Q103-T133 WeakPolarHBondContact CA-OG1 3.43Å; Q103-T133 HydrophobicContact CB-CG2 4.09Å; Q103-T133 WeakPolarHBondContact CB-OG1 3.4Å; Q103-T133 PolarHBondContact O-OG1 2.85Å; I104-T133 PolarHBondContact N-OG1 2.65Å; I104-T133 CarbonylContact O-C 3.24Å; I104-T133 PolarHBondContact O-OG1 3.27Å; C131-T133 PolarHBondContact O-N 3.34Å; C131-T133 VanDerWaalsContact O-N 3.09Å; T133-E135 PolarHBondContact O-N 3.27Å
134L98.7Very high98Very high0 Ų027.1 Ų27.10%015%0.151CC..  trans-68.3123.8-176.3-171.473.5000109.4I104 L107 L126 C131 I136 L137 L168 L170I104-L134 HydrophobicContact CD1-CD1 4.22Å; I104-L134 HydrophobicContact CG1-CD1 4.1Å; I104-L134 WeakPolarHBondContact O-CA 3.41Å; I104-L134 PolarHBondContact O-N 2.86Å; I104-L134 VanDerWaalsContact O-N 3.13Å; L107-L134 HydrophobicContact CB-CD1 3.84Å; L126-L134 HydrophobicContact CD2-CD2 3.89Å; C131-L134 HydrophobicContact CB-CB 4.22Å; C131-L134 HydrophobicContact CB-CD2 4.41Å; C131-L134 WeakPolarHBondContact O-CB 3.31Å; C131-L134 PolarHBondContact O-N 2.8Å; L134-I136 WeakPolarHBondContact CD1-O 3.4Å; L134-L137 HydrophobicContact CD2-CB 4.22Å; L134-L137 HydrophobicContact CD2-CD1 4.46Å; L134-L168 HydrophobicContact CB-CD2 3.96Å; L134-L168 HydrophobicContact CD2-CD2 4.03Å; L134-L170 HydrophobicContact CB-CD2 4.45Å; L134-L170 HydrophobicContact CD2-CD2 4.08Å; L134-L170 HydrophobicContact CG-CD2 3.97Å
135E98.6Very high97.8Very high72 Ų7223.5 Ų23.534%0.33614%0.136SC..  trans-112.2-26.9177.8-63.4-172.5173.800111.4V105 T133 K171 I172V105-E135 HydrophobicContact CG1-CB 4.03Å; V105-E135 HydrophobicContact CG1-CG 4.05Å; V105-E135 PolarHBondContact O-N 3.09Å; T133-E135 PolarHBondContact O-N 3.27Å; E135-K171 HydrophobicContact CB-CD 4.39Å; E135-K171 HydrophobicContact CB-CG 4.49Å; E135-K171 PolarHBondContact O-N 3.39Å; E135-K171 IonicContact OE1-NZ 2.7Å; E135-K171 PolarHBondContact OE1-NZ 3.42Å; E135-K171 VanDerWaalsContact OE1-NZ 3.16Å; E135-K171 IonicContact OE2-NZ 3.28Å; E135-K171 PolarHBondContact OE2-NZ 2.64Å; E135-I172 PolarHBondContact O-N 3.46Å
136I98.8Very high97.6Very high32 Ų3226.9 Ų26.916%0.16415%0.152CC..EExtended strand (participates in β ladder)trans-125117.4-175.5-54.2177.2000109.4V105 E106 L107 L134 R138 I172V105-I136 PolarHBondContact O-N 3.21Å; E106-I136 WeakPolarHBondContact CA-O 3.24Å; E106-I136 HydrophobicContact CB-CB 4.11Å; E106-I136 HydrophobicContact CG-CB 3.95Å; E106-I136 HydrophobicContact CG-CD1 4.47Å; E106-I136 HydrophobicContact CG-CG2 3.9Å; L107-I136 PolarHBondContact N-O 2.66Å; L134-I136 WeakPolarHBondContact CD1-O 3.4Å; I136-R138 HydrophobicContact CG2-CG 4.3Å; I136-I172 WeakPolarHBondContact CA-O 3.49Å; I136-I172 HydrophobicContact CB-CB 4.41Å; I136-I172 HydrophobicContact CD1-CD1 4.12Å; I136-I172 HydrophobicContact CG1-CB 4.16Å; I136-I172 HydrophobicContact CG1-CD1 4.11Å; I136-I172 HydrophobicContact CG1-CG1 4.32Å; I136-I172 HydrophobicContact CG2-CB 4.11Å; I136-I172 HydrophobicContact CG2-CG2 4.2Å
137L98.8Very high97.5Very high0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-125.7116174.517958000110L107 L126 L134 M139 L152 L156 L170 I172 F173 S174L107-L137 HydrophobicContact CB-CD1 4.24Å; L107-L137 HydrophobicContact CD2-CD1 4.31Å; L107-L137 HydrophobicContact CG-CD1 4.33Å; L126-L137 HydrophobicContact CD2-CD2 4.43Å; L134-L137 HydrophobicContact CD2-CB 4.22Å; L134-L137 HydrophobicContact CD2-CD1 4.46Å; L137-M139 HydrophobicContact CD1-CG 3.86Å; L137-M139 HydrophobicContact CD1-SD 4.14Å; L137-M139 HydrophobicContact CD2-SD 4.35Å; L137-M139 HydrophobicContact CG-CG 4.08Å; L137-M139 HydrophobicContact CG-SD 4.36Å; L137-L152 HydrophobicContact CD2-CD1 4.15Å; L137-L156 HydrophobicContact CD2-CD1 4.48Å; L137-L156 HydrophobicContact CD2-CD2 4.23Å; L137-L170 HydrophobicContact CB-CD1 4.22Å; L137-L170 HydrophobicContact CB-CD2 3.99Å; L137-L170 HydrophobicContact CD2-CD1 4.3Å; L137-I172 PolarHBondContact N-O 3.05Å; L137-F173 HydrophobicContact CB-CD2 4.22Å; L137-F173 HydrophobicContact CD2-CD2 4.19Å; L137-F173 HydrophobicContact CD2-CE2 3.98Å; L137-F173 HydrophobicContact CG-CD2 4.24Å; L137-F173 HydrophobicContact CG-CE2 4.22Å; L137-S174 PolarHBondContact O-N 3.03Å; L137-S174 VanDerWaalsContact O-N 3.07Å
138R98.7Very high97.4Very high58 Ų5830.1 Ų30.122%0.21917%0.166CC..EExtended strand (participates in β ladder)trans-114.3123.9175.6-60-166.4-176.586.32.6110.5E106 L107 D108 L109 I136E106-R138 IonicContact OE1-CZ 2.68Å; E106-R138 IonicContact OE1-NH1 2.85Å; E106-R138 PolarHBondContact OE1-NH1 3.43Å; L107-R138 PolarHBondContact O-N 3.36Å; D108-R138 HydrophobicContact CB-CB 4.26Å; D108-R138 WeakPolarHBondContact OD1-CB 3.33Å; L109-R138 PolarHBondContact N-O 3.18Å; I136-R138 HydrophobicContact CG2-CG 4.3Å
139M97.5Very high97.4Very high0 Ų029.3 Ų29.30%016%0.161CC..  trans-139.239.9-177.7-62.4-162.370.900110.1L109 F114 V119 L137 Q142 L144 L152 S174 N178L109-M139 HydrophobicContact CB-CG 4.48Å; L109-M139 HydrophobicContact CD1-CE 4.15Å; L109-M139 HydrophobicContact CD1-CG 4.44Å; L109-M139 HydrophobicContact CD1-SD 4.46Å; F114-M139 HydrophobicContact CD2-CE 4.14Å; F114-M139 HydrophobicContact CE2-CE 4.13Å; V119-M139 HydrophobicContact CG2-CE 3.99Å; L137-M139 HydrophobicContact CD1-CG 3.86Å; L137-M139 HydrophobicContact CD1-SD 4.14Å; L137-M139 HydrophobicContact CD2-SD 4.35Å; L137-M139 HydrophobicContact CG-CG 4.08Å; L137-M139 HydrophobicContact CG-SD 4.36Å; M139-Q142 HydrophobicContact CB-CG 4.15Å; M139-Q142 HydrophobicContact CE-CG 4.38Å; M139-Q142 WeakPolarHBondContact O-CG 3.35Å; M139-L144 HydrophobicContact CE-CD1 4.49Å; M139-L144 HydrophobicContact CE-CD2 4.46Å; M139-L152 HydrophobicContact SD-CD1 3.7Å; M139-L152 HydrophobicContact SD-CD2 3.85Å; M139-L152 HydrophobicContact SD-CG 4.4Å; M139-S174 CarbonylContact C-O 3.55Å; M139-S174 PolarHBondContact N-O 3.43Å; M139-N178 PolarHBondContact O-ND2 3.36Å
140N98.3Very high97.4Very high18 Ų1828.7 Ų28.710%0.09615%0.152CC..THydrogen-bonded Turntrans-67.6147.6177.7-63.1-52.2000110.5S110 D111 Q142 S174 G175 G176S110-N140 CarbonylContact C-O 3.57Å; S110-N140 VanDerWaalsContact CA-O 3.24Å; S110-N140 WeakPolarHBondContact CA-O 3.49Å; S110-N140 PolarHBondContact OG-N 2.91Å; D111-N140 PolarHBondContact N-O 3.28Å; N140-Q142 VanDerWaalsContact C-N 3.34Å; N140-Q142 PolarHBondContact O-N 2.78Å; N140-Q142 PolarHBondContact O-NE2 3.19Å; N140-S174 PolarHBondContact ND2-OG 2.91Å; N140-S174 PolarHBondContact OD1-OG 3.11Å; N140-G175 PolarHBondContact OD1-N 3.18Å; N140-G176 CarbonylContact C-O 3.44Å; N140-G176 WeakPolarHBondContact CA-O 3.31Å; N140-G176 PolarHBondContact OD1-N 3.4Å
141N97.2Very high97.4Very high50 Ų5032.3 Ų32.327%0.26717%0.166SC..THydrogen-bonded Turntrans54.146.5171.5-170.732000113.5D111 A113 G176 R177D111-N141 WeakPolarHBondContact OD1-CB 3.17Å; D111-N141 PolarHBondContact OD1-ND2 3.45Å; A113-N141 PolarHBondContact N-O 3.23Å; N141-G176 PolarHBondContact N-O 3.42Å; N141-R177 WeakPolarHBondContact CA-O 3.13Å; N141-R177 HydrophobicContact CB-CB 4.14Å
142Q96.4Very high97.4Very high0 Ų032.4 Ų32.40%017%0.167CC..  trans-98-13.6174.1-59.1-53.9-52.800112.9L109 S110 A113 F114 G115 M139 N140 L144 N178L109-Q142 PolarHBondContact O-NE2 2.58Å; L109-Q142 PolarHBondContact O-OE1 3.23Å; S110-Q142 VanDerWaalsContact CA-NE2 3.31Å; A113-Q142 CarbonylContact C-O 3.44Å; A113-Q142 VanDerWaalsContact C-O 3.25Å; A113-Q142 WeakPolarHBondContact CA-O 3.34Å; F114-Q142 HydrophobicContact CB-CB 4.35Å; F114-Q142 HydrophobicContact CD2-CG 4.27Å; F114-Q142 PolarHBondContact N-O 2.9Å; F114-Q142 VanDerWaalsContact N-O 3.09Å; G115-Q142 PolarHBondContact N-O 3.33Å; M139-Q142 HydrophobicContact CB-CG 4.15Å; M139-Q142 HydrophobicContact CE-CG 4.38Å; M139-Q142 WeakPolarHBondContact O-CG 3.35Å; N140-Q142 VanDerWaalsContact C-N 3.34Å; N140-Q142 PolarHBondContact O-N 2.78Å; N140-Q142 PolarHBondContact O-NE2 3.19Å; Q142-L144 VanDerWaalsContact C-N 3.26Å; Q142-L144 HydrophobicContact CB-CD2 3.73Å; Q142-L144 HydrophobicContact CB-CG 3.82Å; Q142-L144 PolarHBondContact O-N 3.49Å; Q142-N178 VanDerWaalsContact CA-OD1 3.28Å; Q142-N178 WeakPolarHBondContact CA-OD1 3.38Å; Q142-N178 WeakPolarHBondContact CB-OD1 3.21Å; Q142-N178 PolarHBondContact N-OD1 2.9Å
143G95.1Very high97.4Very high43 Ų4330.6 Ų30.644%0.44316%0.16SC..  trans59.437.6-176.300000112.6G115 G145 N178G115-G143 WeakPolarHBondContact CA-O 3.43Å; G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 3.23Å; G143-N178 PolarHBondContact N-OD1 3.24Å
144L96.8Very high97.4Very high2 Ų232.3 Ų32.31%0.0116%0.164CC..  trans-57.4-37.7-174-64.1178.9000113V119 M139 Q142 G148 L152 N178 L180V119-L144 HydrophobicContact CB-CD2 3.82Å; V119-L144 HydrophobicContact CG1-CD2 4.27Å; V119-L144 HydrophobicContact CG2-CD2 4.05Å; M139-L144 HydrophobicContact CE-CD1 4.49Å; M139-L144 HydrophobicContact CE-CD2 4.46Å; Q142-L144 VanDerWaalsContact C-N 3.26Å; Q142-L144 HydrophobicContact CB-CD2 3.73Å; Q142-L144 HydrophobicContact CB-CG 3.82Å; Q142-L144 PolarHBondContact O-N 3.49Å; L144-G148 VanDerWaalsContact O-CA 3.24Å; L144-G148 WeakPolarHBondContact O-CA 3.29Å; L144-G148 PolarHBondContact O-N 2.66Å; L144-L152 HydrophobicContact CD1-CD2 4.14Å; L144-N178 HydrophobicContact CB-CB 4.27Å; L144-N178 HydrophobicContact CG-CB 4.39Å; L144-N178 PolarHBondContact N-O 3.24Å; L144-L180 HydrophobicContact CB-CD2 4.36Å; L144-L180 HydrophobicContact CD1-CD2 4.47Å
145G96Very high97.4Very high21 Ų2132.5 Ų32.522%0.21617%0.166CC..Hα-helixtrans62.5-178.4-162.900000111.6G143 E147 G148 C149 N178 R179G143-G145 VanDerWaalsContact C-N 3.27Å; G143-G145 PolarHBondContact O-N 3.23Å; G145-E147 VanDerWaalsContact C-N 3.29Å; G145-E147 PolarHBondContact O-N 3.49Å; G145-G148 PolarHBondContact O-N 2.94Å; G145-C149 WeakPolarHBondContact O-CB 3.49Å; G145-C149 PolarHBondContact O-N 3.38Å; G145-N178 PolarHBondContact N-O 2.88Å; G145-R179 WeakPolarHBondContact CA-O 3.47Å
146H92.9Very high97.4Very high74 Ų7429.1 Ų29.134%0.34315%0.15SC..Hα-helixtrans-62.9-34.2172.457.463.9000112.3C149 R150 V183H146-C149 WeakPolarHBondContact O-CB 3.38Å; H146-C149 PolarHBondContact O-N 3.48Å; H146-R150 PolarHBondContact O-N 2.76Å; H146-V183 HydrophobicContact CB-CB 3.89Å; H146-V183 HydrophobicContact CB-CG1 3.87Å
147E96.3Very high97.4Very high74 Ų7431.3 Ų31.335%0.34616%0.16SC..Hα-helixtrans-67.7-42.9178.8-80.7-50.7111.500112.6P116 G145 C149 R150 Y151P116-E147 HydrophobicContact CB-CB 3.93Å; G145-E147 VanDerWaalsContact C-N 3.29Å; G145-E147 PolarHBondContact O-N 3.49Å; E147-C149 VanDerWaalsContact C-N 3.27Å; E147-C149 PolarHBondContact O-N 2.84Å; E147-R150 WeakPolarHBondContact O-CB 3.42Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 IonicContact OE1-NE 3.29Å; E147-R150 IonicContact OE2-CZ 3.51Å; E147-R150 IonicContact OE2-NE 3.39Å; E147-R150 PolarHBondContact OE2-NE 3.03Å; E147-R150 VanDerWaalsContact OE2-NE 3.11Å; E147-R150 IonicContact OE2-NH2 2.73Å; E147-R150 PolarHBondContact OE2-NH2 3.39Å; E147-Y151 VanDerWaalsContact O-CD2 3.23Å; E147-Y151 WeakPolarHBondContact O-CD2 3.49Å; E147-Y151 PolarHBondContact O-N 2.86Å
148G96.8Very high97.4Very high0 Ų036.6 Ų36.60%018%0.184CC..Hα-helixtrans-67.7-33.4174.900000111.7L144 G145 R150 Y151 L152L144-G148 VanDerWaalsContact O-CA 3.24Å; L144-G148 WeakPolarHBondContact O-CA 3.29Å; L144-G148 PolarHBondContact O-N 2.66Å; G145-G148 PolarHBondContact O-N 2.94Å; G148-R150 VanDerWaalsContact C-N 3.34Å; G148-Y151 PolarHBondContact O-N 3.14Å; G148-L152 PolarHBondContact O-N 3.25Å; G148-L152 VanDerWaalsContact O-N 3.09Å
149C98Very high97.3Very high0 Ų033.9 Ų33.90%017%0.174CC..Hα-helixtrans-62.9-40.7172.2-167.10000111.9G145 H146 E147 L152 A153 L180 G184G145-C149 WeakPolarHBondContact O-CB 3.49Å; G145-C149 PolarHBondContact O-N 3.38Å; H146-C149 WeakPolarHBondContact O-CB 3.38Å; H146-C149 PolarHBondContact O-N 3.48Å; E147-C149 VanDerWaalsContact C-N 3.27Å; E147-C149 PolarHBondContact O-N 2.84Å; C149-L152 WeakPolarHBondContact O-CB 3.28Å; C149-L152 PolarHBondContact O-N 3.45Å; C149-A153 WeakPolarHBondContact O-CB 3.4Å; C149-A153 PolarHBondContact O-N 3.2Å; C149-L180 HydrophobicContact CB-CD2 3.62Å; C149-G184 VanDerWaalsContact SG-CA 3.57Å
150R98.2Very high97.3Very high62 Ų6234.4 Ų34.423%0.23418%0.176CC..Hα-helixtrans-56.9-52.3175.4-174.7177.561.776.71.9111.5H146 E147 G148 L152 A153 E154 M187H146-R150 PolarHBondContact O-N 2.76Å; E147-R150 WeakPolarHBondContact O-CB 3.42Å; E147-R150 PolarHBondContact O-N 3.36Å; E147-R150 IonicContact OE1-NE 3.29Å; E147-R150 IonicContact OE2-CZ 3.51Å; E147-R150 IonicContact OE2-NE 3.39Å; E147-R150 PolarHBondContact OE2-NE 3.03Å; E147-R150 VanDerWaalsContact OE2-NE 3.11Å; E147-R150 IonicContact OE2-NH2 2.73Å; E147-R150 PolarHBondContact OE2-NH2 3.39Å; G148-R150 VanDerWaalsContact C-N 3.34Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 2.83Å; R150-A153 PolarHBondContact O-N 3.36Å; R150-E154 WeakPolarHBondContact CD-OE1 3.48Å; R150-E154 HydrophobicContact CG-CG 4.32Å; R150-E154 WeakPolarHBondContact CG-OE1 3.47Å; R150-E154 IonicContact CZ-OE1 3.2Å; R150-E154 IonicContact NH1-OE1 3.67Å; R150-E154 PolarHBondContact NH1-OE1 3.45Å; R150-E154 IonicContact NH1-OE2 3.8Å; R150-E154 PolarHBondContact NH1-OE2 3.14Å; R150-E154 WeakPolarHBondContact O-CB 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 3.38Å; R150-M187 VanDerWaalsContact CA-SD 3.56Å; R150-M187 HydrophobicContact CB-CE 3.88Å; R150-M187 HydrophobicContact CB-SD 3.63Å; R150-M187 HydrophobicContact CG-CE 4.04Å; R150-M187 HydrophobicContact CG-SD 4.18Å
151Y98.2Very high97.3Very high76 Ų7637.9 Ų37.930%0.29820%0.201SC..Hα-helixtrans-59.6-38.4176.8-69.5-58.7000112.8V119 V120 E147 G148 A155V119-Y151 HydrophobicContact CG1-CD2 4.17Å; V119-Y151 HydrophobicContact CG1-CG 4.48Å; V120-Y151 HydrophobicContact CG1-CD1 4.14Å; V120-Y151 HydrophobicContact CG1-CD2 3.97Å; V120-Y151 HydrophobicContact CG1-CE1 4.25Å; V120-Y151 HydrophobicContact CG1-CE2 4.1Å; V120-Y151 HydrophobicContact CG1-CG 4Å; E147-Y151 VanDerWaalsContact O-CD2 3.23Å; E147-Y151 WeakPolarHBondContact O-CD2 3.49Å; E147-Y151 PolarHBondContact O-N 2.86Å; G148-Y151 PolarHBondContact O-N 3.14Å; Y151-A155 VanDerWaalsContact O-CB 3.27Å; Y151-A155 WeakPolarHBondContact O-CB 3.2Å; Y151-A155 PolarHBondContact O-N 3.09Å; Y151-A155 VanDerWaalsContact O-N 3.07Å
152L98.1Very high97.3Very high2 Ų240.3 Ų40.31%0.0121%0.213CC..Hα-helixtrans-64.1-50175.6173.361000111.4L126 L137 M139 L144 G148 C149 R150 A155 L156 F173L126-L152 HydrophobicContact CD1-CD1 3.5Å; L137-L152 HydrophobicContact CD2-CD1 4.15Å; M139-L152 HydrophobicContact SD-CD1 3.7Å; M139-L152 HydrophobicContact SD-CD2 3.85Å; M139-L152 HydrophobicContact SD-CG 4.4Å; L144-L152 HydrophobicContact CD1-CD2 4.14Å; G148-L152 PolarHBondContact O-N 3.25Å; G148-L152 VanDerWaalsContact O-N 3.09Å; C149-L152 WeakPolarHBondContact O-CB 3.28Å; C149-L152 PolarHBondContact O-N 3.45Å; R150-L152 VanDerWaalsContact C-N 3.27Å; R150-L152 PolarHBondContact O-N 2.83Å; L152-A155 PolarHBondContact O-N 3.29Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CG 4.18Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 2.93Å; L152-F173 HydrophobicContact CD2-CE2 4.19Å; L152-F173 HydrophobicContact CD2-CZ 4.02Å
153A98.3Very high97.3Very high7 Ų741 Ų416%0.05822%0.218CC..Hα-helixtrans-63.4-45.5-17900000111.6C149 R150 A155 L156 E157 M187 V191C149-A153 WeakPolarHBondContact O-CB 3.4Å; C149-A153 PolarHBondContact O-N 3.2Å; R150-A153 PolarHBondContact O-N 3.36Å; A153-A155 PolarHBondContact O-N 3.41Å; A153-L156 PolarHBondContact O-N 3.41Å; A153-E157 WeakPolarHBondContact O-CB 3.19Å; A153-E157 PolarHBondContact O-N 3.03Å; A153-M187 HydrophobicContact CB-CB 4.08Å; A153-V191 HydrophobicContact CB-CG2 4.01Å
154E98.5Very high97.4Very high88 Ų8847.3 Ų47.341%0.41123%0.233SC..Hα-helixtrans-59-45.1175.7-74173.2-172.200111.4R150 L156 E157 E158R150-E154 WeakPolarHBondContact CD-OE1 3.48Å; R150-E154 HydrophobicContact CG-CG 4.32Å; R150-E154 WeakPolarHBondContact CG-OE1 3.47Å; R150-E154 IonicContact CZ-OE1 3.2Å; R150-E154 IonicContact NH1-OE1 3.67Å; R150-E154 PolarHBondContact NH1-OE1 3.45Å; R150-E154 IonicContact NH1-OE2 3.8Å; R150-E154 PolarHBondContact NH1-OE2 3.14Å; R150-E154 WeakPolarHBondContact O-CB 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.4Å; R150-E154 PolarHBondContact O-N 3.38Å; E154-L156 PolarHBondContact O-N 3.05Å; E154-E157 PolarHBondContact O-N 3.22Å; E154-E158 WeakPolarHBondContact O-CB 3.48Å; E154-E158 PolarHBondContact O-N 3.4Å
155A98.4Very high97.2Very high4 Ų450.9 Ų50.93%0.03325%0.252CS..Hα-helixtrans-66.5-37.8179.200000112.9T123 L126 Y151 L152 A153 G159T123-A155 HydrophobicContact CG2-CB 4.09Å; L126-A155 HydrophobicContact CB-CB 4.06Å; L126-A155 HydrophobicContact CD1-CB 4.49Å; Y151-A155 VanDerWaalsContact O-CB 3.27Å; Y151-A155 WeakPolarHBondContact O-CB 3.2Å; Y151-A155 PolarHBondContact O-N 3.09Å; Y151-A155 VanDerWaalsContact O-N 3.07Å; L152-A155 PolarHBondContact O-N 3.29Å; A153-A155 PolarHBondContact O-N 3.41Å; A155-G159 PolarHBondContact O-N 3.23Å
156L98.5Very high97.2Very high0 Ų057.3 Ų57.30%028%0.277CS..Hα-helixtrans-67.9-42.6174.6-69.4173.1000111.5L126 L137 L152 A153 E154 G159 R160 L168 L170 V191 F192 M195L126-L156 HydrophobicContact CD1-CD2 4.31Å; L126-L156 HydrophobicContact CD2-CD2 4.47Å; L137-L156 HydrophobicContact CD2-CD1 4.48Å; L137-L156 HydrophobicContact CD2-CD2 4.23Å; L152-L156 HydrophobicContact CD1-CD1 3.96Å; L152-L156 HydrophobicContact CD1-CG 4.18Å; L152-L156 HydrophobicContact CG-CD1 4.14Å; L152-L156 VanDerWaalsContact O-CG 3.31Å; L152-L156 WeakPolarHBondContact O-CG 3.24Å; L152-L156 PolarHBondContact O-N 2.93Å; A153-L156 PolarHBondContact O-N 3.41Å; E154-L156 PolarHBondContact O-N 3.05Å; L156-G159 PolarHBondContact O-N 3.04Å; L156-R160 WeakPolarHBondContact O-CG 2.94Å; L156-R160 PolarHBondContact O-N 2.93Å; L156-L168 HydrophobicContact CD2-CD1 4.48Å; L156-L168 HydrophobicContact CD2-CD2 3.92Å; L156-L170 HydrophobicContact CD2-CD1 4.49Å; L156-V191 HydrophobicContact CB-CG1 3.82Å; L156-V191 HydrophobicContact CD1-CG1 4.34Å; L156-F192 HydrophobicContact CD1-CE1 4.41Å; L156-M195 HydrophobicContact CB-CE 4.27Å
157E98Very high97.3Very high79 Ų7954 Ų5437%0.36926%0.263SS..Hα-helixtrans-62.3-45.1175.9-176.1172.1-167.900111.3A153 E154 R160 C161 K190 V191A153-E157 WeakPolarHBondContact O-CB 3.19Å; A153-E157 PolarHBondContact O-N 3.03Å; E154-E157 PolarHBondContact O-N 3.22Å; E157-R160 PolarHBondContact O-N 3.05Å; E157-C161 WeakPolarHBondContact O-CB 3.23Å; E157-C161 PolarHBondContact O-N 3.21Å; E157-K190 VanDerWaalsContact OE1-CE 3.28Å; E157-K190 WeakPolarHBondContact OE1-CE 3.36Å; E157-K190 IonicContact OE1-NZ 2.7Å; E157-K190 PolarHBondContact OE1-NZ 2.6Å; E157-K190 IonicContact OE2-NZ 2.8Å; E157-K190 PolarHBondContact OE2-NZ 2.91Å; E157-V191 HydrophobicContact CB-CG2 4.41Å
158E98.2Very high97.3Very high111 Ų11150.5 Ų50.552%0.51925%0.247SC..Hα-helixtrans-61.1-47.1176.1-175.3176.6-174.900111.4A127 E154 R160 C161 L162A127-E158 HydrophobicContact CB-CB 4.11Å; A127-E158 HydrophobicContact CB-CG 4Å; E154-E158 WeakPolarHBondContact O-CB 3.48Å; E154-E158 PolarHBondContact O-N 3.4Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.97Å; E158-C161 WeakPolarHBondContact O-CB 3.41Å; E158-C161 PolarHBondContact O-N 2.66Å; E158-L162 HydrophobicContact CG-CD1 3.93Å; E158-L162 HydrophobicContact CG-CG 4.35Å; E158-L162 WeakPolarHBondContact O-CB 3.38Å; E158-L162 WeakPolarHBondContact O-CG 3.46Å; E158-L162 PolarHBondContact O-N 2.63Å
159G98.1Very high97.3Very high0 Ų054 Ų540%027%0.265CS..Hα-helixtrans-60.1-39.4176.400000112.7A127 A155 L156 L162 S163A127-G159 WeakPolarHBondContact O-CA 3.17Å; A155-G159 PolarHBondContact O-N 3.23Å; L156-G159 PolarHBondContact O-N 3.04Å; G159-L162 PolarHBondContact O-N 3.15Å; G159-S163 WeakPolarHBondContact O-CB 3.35Å; G159-S163 PolarHBondContact O-N 3.17Å; G159-S163 PolarHBondContact O-OG 2.85Å
160R96.9Very high97.3Very high11 Ų1154 Ų544%0.04227%0.265CS..Hα-helixtrans-62.5-48.3173.5-75.6-144.881.4-159.110.8111.4L156 E157 E158 L162 S163 K164 N165 G167 L168 D194 M195L156-R160 WeakPolarHBondContact O-CG 2.94Å; L156-R160 PolarHBondContact O-N 2.93Å; E157-R160 PolarHBondContact O-N 3.05Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.97Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 2.76Å; R160-S163 CarbonylContact O-C 3.46Å; R160-S163 WeakPolarHBondContact O-CA 3.42Å; R160-S163 PolarHBondContact O-N 3.3Å; R160-S163 VanDerWaalsContact O-N 3.1Å; R160-S163 PolarHBondContact O-OG 2.79Å; R160-K164 PolarHBondContact O-N 3.37Å; R160-K164 VanDerWaalsContact O-N 3.11Å; R160-N165 PolarHBondContact NH2-O 3.26Å; R160-N165 PolarHBondContact O-N 2.94Å; R160-N165 PolarHBondContact O-OD1 3.4Å; R160-G167 PolarHBondContact NE-O 3.09Å; R160-L168 HydrophobicContact CG-CB 3.98Å; R160-L168 HydrophobicContact CG-CD1 4.39Å; R160-D194 IonicContact CZ-OD2 3.41Å; R160-D194 IonicContact NE-OD2 2.86Å; R160-D194 PolarHBondContact NH1-O 3.43Å; R160-D194 IonicContact NH1-OD1 3.32Å; R160-D194 PolarHBondContact NH1-OD1 3.23Å; R160-D194 IonicContact NH1-OD2 3.45Å; R160-D194 PolarHBondContact NH1-OD2 3.08Å; R160-M195 HydrophobicContact CG-CE 4.04Å
161C97.3Very high97.4Very high91 Ų9154.2 Ų54.262%0.61527%0.267SS*.Hα-helixtrans-57-47.1177.5-175.20000111.6E157 E158 S163 K164E157-C161 WeakPolarHBondContact O-CB 3.23Å; E157-C161 PolarHBondContact O-N 3.21Å; E158-C161 WeakPolarHBondContact O-CB 3.41Å; E158-C161 PolarHBondContact O-N 2.66Å; C161-S163 VanDerWaalsContact C-N 3.29Å; C161-S163 PolarHBondContact O-N 3.26Å; C161-K164 WeakPolarHBondContact O-CA 2.9Å; C161-K164 PolarHBondContact O-N 3.28Å
162L97.7Very high97.4Very high102 Ų10251.8 Ų51.853%0.53426%0.259SS..Hα-helixtrans-64.7-31.1177.5-70.3173.6000112.9A127 E158 G159 R160 K164A127-L162 VanDerWaalsContact O-CD1 3.3Å; A127-L162 WeakPolarHBondContact O-CD1 3.46Å; E158-L162 HydrophobicContact CG-CD1 3.93Å; E158-L162 HydrophobicContact CG-CG 4.35Å; E158-L162 WeakPolarHBondContact O-CB 3.38Å; E158-L162 WeakPolarHBondContact O-CG 3.46Å; E158-L162 PolarHBondContact O-N 2.63Å; G159-L162 PolarHBondContact O-N 3.15Å; R160-L162 VanDerWaalsContact C-N 3.34Å; R160-L162 PolarHBondContact O-N 2.76Å; L162-K164 VanDerWaalsContact C-N 3.25Å; L162-K164 PolarHBondContact O-N 2.66Å
163S96.7Very high97.4Very high14 Ų1451.8 Ų51.810%0.09826%0.259CS..THydrogen-bonded Turntrans-79.2-2.1172820000114.2G159 R160 C161 N165 Q166 G167G159-S163 WeakPolarHBondContact O-CB 3.35Å; G159-S163 PolarHBondContact O-N 3.17Å; G159-S163 PolarHBondContact O-OG 2.85Å; R160-S163 CarbonylContact O-C 3.46Å; R160-S163 WeakPolarHBondContact O-CA 3.42Å; R160-S163 PolarHBondContact O-N 3.3Å; R160-S163 VanDerWaalsContact O-N 3.1Å; R160-S163 PolarHBondContact O-OG 2.79Å; C161-S163 VanDerWaalsContact C-N 3.29Å; C161-S163 PolarHBondContact O-N 3.26Å; S163-N165 VanDerWaalsContact C-N 3.27Å; S163-N165 PolarHBondContact O-N 3.08Å; S163-N165 PolarHBondContact OG-N 3.04Å; S163-Q166 PolarHBondContact O-N 3.46Å; S163-Q166 PolarHBondContact OG-N 3.45Å; S163-G167 WeakPolarHBondContact OG-CA 3.15Å; S163-G167 PolarHBondContact OG-N 3.01Å
164K96.7Very high97.4Very high176 Ų17652.1 Ų52.177%0.76526%0.261SS*.THydrogen-bonded Turntrans5641.9-170.7-53.9176.1-178.61770112.2R160 C161 L162 Q166R160-K164 PolarHBondContact O-N 3.37Å; R160-K164 VanDerWaalsContact O-N 3.11Å; C161-K164 WeakPolarHBondContact O-CA 2.9Å; C161-K164 PolarHBondContact O-N 3.28Å; L162-K164 VanDerWaalsContact C-N 3.25Å; L162-K164 PolarHBondContact O-N 2.66Å; K164-Q166 PolarHBondContact O-N 2.83Å; K164-Q166 VanDerWaalsContact O-N 3.15Å
165N94.3Very high97.4Very high76 Ų7648 Ų4841%0.40624%0.242SC..THydrogen-bonded Turntrans60.616.8-178.4-54.9-13.8000114.4R160 S163R160-N165 PolarHBondContact NH2-O 3.26Å; R160-N165 PolarHBondContact O-N 2.94Å; R160-N165 PolarHBondContact O-OD1 3.4Å; S163-N165 VanDerWaalsContact C-N 3.27Å; S163-N165 PolarHBondContact O-N 3.08Å; S163-N165 PolarHBondContact OG-N 3.04Å
166Q94.9Very high97.4Very high157 Ų15747.8 Ų47.873%0.73424%0.241SC*.SBendtrans-96.5-15177.1-60.3-58-64.600113.3S163 K164S163-Q166 PolarHBondContact O-N 3.46Å; S163-Q166 PolarHBondContact OG-N 3.45Å; K164-Q166 PolarHBondContact O-N 2.83Å; K164-Q166 VanDerWaalsContact O-N 3.15Å
167G95.1Very high97.4Very high5 Ų553.1 Ų53.15%0.05226%0.261CS..SBendtrans-112.1176.7179.600000113.4H132 R160 S163 L169H132-G167 CarbonylContact O-C 3.42Å; H132-G167 WeakPolarHBondContact O-CA 3.47Å; R160-G167 PolarHBondContact NE-O 3.09Å; S163-G167 WeakPolarHBondContact OG-CA 3.15Å; S163-G167 PolarHBondContact OG-N 3.01Å; G167-L169 VanDerWaalsContact C-N 3.28Å; G167-L169 PolarHBondContact O-N 2.59Å
168L96.2Very high97.4Very high0 Ų049.4 Ų49.40%024%0.243CC..  trans54.243.3-176-74161.1000112.2C131 H132 L134 L156 R160 L170 M195C131-L168 HydrophobicContact CB-CD2 4.13Å; C131-L168 WeakPolarHBondContact O-CD2 3.43Å; C131-L168 WeakPolarHBondContact O-CG 3.21Å; H132-L168 PolarHBondContact O-N 2.91Å; L134-L168 HydrophobicContact CB-CD2 3.96Å; L134-L168 HydrophobicContact CD2-CD2 4.03Å; L156-L168 HydrophobicContact CD2-CD1 4.48Å; L156-L168 HydrophobicContact CD2-CD2 3.92Å; R160-L168 HydrophobicContact CG-CB 3.98Å; R160-L168 HydrophobicContact CG-CD1 4.39Å; L168-L170 PolarHBondContact O-N 3.36Å; L168-M195 HydrophobicContact CB-CE 4.12Å; L168-M195 VanDerWaalsContact O-CE 3.23Å; L168-M195 WeakPolarHBondContact O-CE 3.47Å; L168-M195 WeakPolarHBondContact O-CG 3.47Å
169L96.9Very high97.3Very high74 Ų7452.1 Ų52.139%0.38725%0.249SC..  trans-81.373.8172.1-63.6175.2000108.6G167 K171 S197G167-L169 VanDerWaalsContact C-N 3.28Å; G167-L169 PolarHBondContact O-N 2.59Å; L169-K171 PolarHBondContact O-N 2.8Å; L169-S197 VanDerWaalsContact CA-OG 3.3Å; L169-S197 WeakPolarHBondContact CA-OG 3.22Å
170L98.7Very high97.3Very high0 Ų052.3 Ų52.30%025%0.25CC..  trans-59127.4179.4-66.2-178.6000109.8L134 L137 L156 L168 F173 F192 M195 S197 L198L134-L170 HydrophobicContact CB-CD2 4.45Å; L134-L170 HydrophobicContact CD2-CD2 4.08Å; L134-L170 HydrophobicContact CG-CD2 3.97Å; L137-L170 HydrophobicContact CB-CD1 4.22Å; L137-L170 HydrophobicContact CB-CD2 3.99Å; L137-L170 HydrophobicContact CD2-CD1 4.3Å; L156-L170 HydrophobicContact CD2-CD1 4.49Å; L168-L170 PolarHBondContact O-N 3.36Å; L170-F173 HydrophobicContact CD1-CD2 4.15Å; L170-F192 HydrophobicContact CD1-CE1 4.13Å; L170-M195 HydrophobicContact CB-SD 4.2Å; L170-M195 HydrophobicContact CD1-CE 4.49Å; L170-M195 HydrophobicContact CD1-SD 4.31Å; L170-M195 HydrophobicContact CG-SD 4.19Å; L170-S197 PolarHBondContact N-OG 2.7Å; L170-S197 CarbonylContact O-C 3.57Å; L170-S197 WeakPolarHBondContact O-CB 3.46Å; L170-S197 PolarHBondContact O-OG 3.17Å; L170-L198 HydrophobicContact CB-CD2 4.19Å; L170-L198 PolarHBondContact O-N 3.43Å
171K98.8Very high97.3Very high65 Ų6553.4 Ų53.428%0.28326%0.256SS..SBendtrans-94.8-39.4169.8-66.2176.6-177.2159.90110.4E135 L169 E199 E200E135-K171 HydrophobicContact CB-CD 4.39Å; E135-K171 HydrophobicContact CB-CG 4.49Å; E135-K171 PolarHBondContact O-N 3.39Å; E135-K171 IonicContact OE1-NZ 2.7Å; E135-K171 PolarHBondContact OE1-NZ 3.42Å; E135-K171 VanDerWaalsContact OE1-NZ 3.16Å; E135-K171 IonicContact OE2-NZ 3.28Å; E135-K171 PolarHBondContact OE2-NZ 2.64Å; L169-K171 PolarHBondContact O-N 2.8Å; K171-E199 HydrophobicContact CB-CB 4.39Å; K171-E199 HydrophobicContact CB-CG 4.25Å; K171-E199 WeakPolarHBondContact CD-OE1 3.43Å; K171-E199 HydrophobicContact CG-CG 4.4Å; K171-E199 WeakPolarHBondContact O-CA 3.4Å; K171-E199 PolarHBondContact O-N 3.39Å; K171-E200 PolarHBondContact O-N 3.48Å
172I98.9Very high97.3Very high25 Ų2549.8 Ų49.813%0.12823%0.23CC..EExtended strand (participates in β ladder)trans-122117.4-178.4-56.5-179000108.6E135 I136 L137 E200E135-I172 PolarHBondContact O-N 3.46Å; I136-I172 WeakPolarHBondContact CA-O 3.49Å; I136-I172 HydrophobicContact CB-CB 4.41Å; I136-I172 HydrophobicContact CD1-CD1 4.12Å; I136-I172 HydrophobicContact CG1-CB 4.16Å; I136-I172 HydrophobicContact CG1-CD1 4.11Å; I136-I172 HydrophobicContact CG1-CG1 4.32Å; I136-I172 HydrophobicContact CG2-CB 4.11Å; I136-I172 HydrophobicContact CG2-CG2 4.2Å; L137-I172 PolarHBondContact N-O 3.05Å; I172-E200 HydrophobicContact CB-CB 4.36Å; I172-E200 HydrophobicContact CD1-CG 4.44Å; I172-E200 HydrophobicContact CG1-CB 4.05Å; I172-E200 HydrophobicContact CG1-CG 4.04Å; I172-E200 HydrophobicContact CG2-CB 4.14Å
173F98.8Very high97.3Very high2 Ų247.8 Ų47.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-121.4124.5168.8-176.7-99.8000110.7L137 L152 L170 L188 F192 L198 E200 L201 S202 L203L137-F173 HydrophobicContact CB-CD2 4.22Å; L137-F173 HydrophobicContact CD2-CD2 4.19Å; L137-F173 HydrophobicContact CD2-CE2 3.98Å; L137-F173 HydrophobicContact CG-CD2 4.24Å; L137-F173 HydrophobicContact CG-CE2 4.22Å; L152-F173 HydrophobicContact CD2-CE2 4.19Å; L152-F173 HydrophobicContact CD2-CZ 4.02Å; L170-F173 HydrophobicContact CD1-CD2 4.15Å; F173-L188 HydrophobicContact CE1-CD1 3.95Å; F173-L188 HydrophobicContact CZ-CD1 4.35Å; F173-L188 HydrophobicContact CZ-CD2 4.4Å; F173-F192 HydrophobicContact CB-CE2 4.49Å; F173-F192 HydrophobicContact CB-CZ 4.09Å; F173-F192 AromaticContact CD1-CE2 3.63Å; F173-F192 HydrophobicContact CD1-CE2 3.63Å; F173-F192 AromaticContact CD1-CZ 3.52Å; F173-F192 HydrophobicContact CD1-CZ 3.52Å; F173-F192 HydrophobicContact CD2-CE1 4.43Å; F173-F192 AromaticContact CD2-CZ 3.75Å; F173-F192 HydrophobicContact CD2-CZ 3.75Å; F173-F192 AromaticContact CE1-CE2 3.97Å; F173-F192 HydrophobicContact CE1-CE2 3.97Å; F173-F192 AromaticContact CE1-CZ 3.8Å; F173-F192 HydrophobicContact CE1-CZ 3.8Å; F173-F192 HydrophobicContact CE2-CZ 4.02Å; F173-F192 HydrophobicContact CG-CE1 4.37Å; F173-F192 HydrophobicContact CG-CE2 4.01Å; F173-F192 AromaticContact CG-CZ 3.49Å; F173-F192 HydrophobicContact CG-CZ 3.49Å; F173-F192 VanDerWaalsContact CG-CZ 3.49Å; F173-F192 HydrophobicContact CZ-CZ 4.04Å; F173-L198 HydrophobicContact CB-CD2 3.94Å; F173-E200 PolarHBondContact N-O 2.94Å; F173-L201 HydrophobicContact CB-CD1 4.35Å; F173-L201 HydrophobicContact CD1-CD1 3.86Å; F173-S202 PolarHBondContact O-N 2.74Å; F173-L203 HydrophobicContact CD1-CD2 4.17Å; F173-L203 HydrophobicContact CE1-CD2 3.75Å
174S98.6Very high97.4Very high15 Ų1547.1 Ų47.111%0.10522%0.217CC..EExtended strand (participates in β ladder)trans-127.2114.4176.9-160.50000109.6L137 M139 N140 S202L137-S174 PolarHBondContact O-N 3.03Å; L137-S174 VanDerWaalsContact O-N 3.07Å; M139-S174 CarbonylContact C-O 3.55Å; M139-S174 PolarHBondContact N-O 3.43Å; N140-S174 PolarHBondContact ND2-OG 2.91Å; N140-S174 PolarHBondContact OD1-OG 3.11Å; S174-S202 WeakPolarHBondContact CA-O 3.39Å; S174-S202 PolarHBondContact OG-OG 3.32Å
175G97.9Very high97.5Very high1 Ų138.7 Ų38.71%0.0118%0.181CC..  trans-138.234.4-174.200000112.6N140 N178 S202 N206N140-G175 PolarHBondContact OD1-N 3.18Å; G175-N178 PolarHBondContact O-ND2 2.93Å; G175-S202 PolarHBondContact N-O 2.92Å; G175-N206 PolarHBondContact O-ND2 3.02Å
176G97.9Very high97.7Very high0 Ų039 Ų390%018%0.18CC..  trans-67.5159.3176.900000113.4N140 N141 N178 Y204N140-G176 CarbonylContact C-O 3.44Å; N140-G176 WeakPolarHBondContact CA-O 3.31Å; N140-G176 PolarHBondContact OD1-N 3.4Å; N141-G176 PolarHBondContact N-O 3.42Å; G176-N178 VanDerWaalsContact C-N 3.32Å; G176-N178 PolarHBondContact O-N 3.25Å; G176-N178 PolarHBondContact O-ND2 3.47Å; G176-Y204 CarbonylContact C-O 3.47Å; G176-Y204 WeakPolarHBondContact CA-O 3.4Å
177R98Very high97.8Very high111 Ų11133.9 Ų33.942%0.41916%0.156SC..SBendtrans58.139.3176.7-46.1-176.371.6-161.4-1.6113.8N141 Y204 Q205N141-R177 WeakPolarHBondContact CA-O 3.13Å; N141-R177 HydrophobicContact CB-CB 4.14Å; R177-Y204 HydrophobicContact CG-CD2 4.09Å; R177-Y204 HydrophobicContact CG-CE2 3.53Å; R177-Y204 PolarHBondContact N-O 3.19Å; R177-Q205 VanDerWaalsContact CA-O 3.24Å; R177-Q205 WeakPolarHBondContact CA-O 3.42Å; R177-Q205 HydrophobicContact CG-CB 4.04Å; R177-Q205 HydrophobicContact CG-CG 4.32Å; R177-Q205 VanDerWaalsContact CG-OE1 3.31Å; R177-Q205 PolarHBondContact N-O 2.94Å
178N98.2Very high98Very high1 Ų133.7 Ų33.71%0.00515%0.154CC..SBendtrans-113.4-5.2-179.2-79.2-52.6000114.6M139 Q142 G143 L144 G145 G175 G176 L180 N206M139-N178 PolarHBondContact O-ND2 3.36Å; Q142-N178 VanDerWaalsContact CA-OD1 3.28Å; Q142-N178 WeakPolarHBondContact CA-OD1 3.38Å; Q142-N178 WeakPolarHBondContact CB-OD1 3.21Å; Q142-N178 PolarHBondContact N-OD1 2.9Å; G143-N178 PolarHBondContact N-OD1 3.24Å; L144-N178 HydrophobicContact CB-CB 4.27Å; L144-N178 HydrophobicContact CG-CB 4.39Å; L144-N178 PolarHBondContact N-O 3.24Å; G145-N178 PolarHBondContact N-O 2.88Å; G175-N178 PolarHBondContact O-ND2 2.93Å; G176-N178 VanDerWaalsContact C-N 3.32Å; G176-N178 PolarHBondContact O-N 3.25Å; G176-N178 PolarHBondContact O-ND2 3.47Å; N178-L180 VanDerWaalsContact C-N 3.25Å; N178-L180 HydrophobicContact CB-CD1 4.47Å; N178-L180 HydrophobicContact CB-CD2 3.72Å; N178-L180 HydrophobicContact CB-CG 3.78Å; N178-L180 PolarHBondContact O-N 2.92Å; N178-N206 WeakPolarHBondContact CA-OD1 3.48Å; N178-N206 WeakPolarHBondContact CB-OD1 3.37Å; N178-N206 PolarHBondContact N-OD1 3.09Å
179R96.8Very high98.1Very high169 Ų16934.1 Ų34.164%0.63816%0.157SC*.  trans52.948-176.1-163.6-177.8178.1118.74.2110.9G145 E181 N206G145-R179 WeakPolarHBondContact CA-O 3.47Å; R179-E181 VanDerWaalsContact C-N 3.26Å; R179-E181 HydrophobicContact CG-CG 4.13Å; R179-E181 WeakPolarHBondContact CG-OE1 3.48Å; R179-E181 IonicContact CZ-OE1 2.77Å; R179-E181 IonicContact NE-OE1 3.7Å; R179-E181 PolarHBondContact NE-OE1 3.43Å; R179-E181 IonicContact NH2-OE1 3.81Å; R179-E181 PolarHBondContact NH2-OE1 3.12Å; R179-E181 PolarHBondContact O-N 3.2Å; R179-N206 CarbonylContact C-O 3.34Å; R179-N206 PolarHBondContact N-OD1 2.83Å
180L97.5Very high98.1Very high3 Ų336.5 Ų36.52%0.01616%0.164CC..  trans-67.5-30.9-178.8-61.4176.5000111.9L144 C149 N178 G184 L188 L203 N206L144-L180 HydrophobicContact CB-CD2 4.36Å; L144-L180 HydrophobicContact CD1-CD2 4.47Å; C149-L180 HydrophobicContact CB-CD2 3.62Å; N178-L180 VanDerWaalsContact C-N 3.25Å; N178-L180 HydrophobicContact CB-CD1 4.47Å; N178-L180 HydrophobicContact CB-CD2 3.72Å; N178-L180 HydrophobicContact CB-CG 3.78Å; N178-L180 PolarHBondContact O-N 2.92Å; L180-G184 WeakPolarHBondContact O-CA 3.32Å; L180-G184 PolarHBondContact O-N 3.48Å; L180-L188 HydrophobicContact CD1-CD1 3.87Å; L180-L203 HydrophobicContact CD1-CD2 3.97Å; L180-N206 HydrophobicContact CB-CB 4.21Å; L180-N206 HydrophobicContact CG-CB 4.46Å; L180-N206 VanDerWaalsContact CG-OD1 3.32Å; L180-N206 WeakPolarHBondContact CG-OD1 3.46Å; L180-N206 PolarHBondContact N-O 3.47Å; L180-N206 PolarHBondContact N-OD1 3.25Å
181E97.3Very high98Very high35 Ų3536.8 Ų36.816%0.16417%0.166CC..Hα-helixtrans54.3-167.4-177.1-60172.5-173.600111.3R179 V183 A185 N206R179-E181 VanDerWaalsContact C-N 3.26Å; R179-E181 HydrophobicContact CG-CG 4.13Å; R179-E181 WeakPolarHBondContact CG-OE1 3.48Å; R179-E181 IonicContact CZ-OE1 2.77Å; R179-E181 IonicContact NE-OE1 3.7Å; R179-E181 PolarHBondContact NE-OE1 3.43Å; R179-E181 IonicContact NH2-OE1 3.81Å; R179-E181 PolarHBondContact NH2-OE1 3.12Å; R179-E181 PolarHBondContact O-N 3.2Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 3.44Å; E181-A185 PolarHBondContact O-N 2.87Å; E181-N206 PolarHBondContact N-O 3.45Å
182N98.3Very high98Very high15 Ų1533.7 Ų33.78%0.0815%0.152CC..Hα-helixtrans-62.2-40.6-178.2-75.4-8.6000112.6G184 A185 Q186 G209 H211 G212 G215N182-G184 PolarHBondContact O-N 3.03Å; N182-A185 WeakPolarHBondContact O-CB 3.49Å; N182-A185 PolarHBondContact O-N 3.34Å; N182-Q186 WeakPolarHBondContact O-CG 3.19Å; N182-Q186 PolarHBondContact O-N 3.25Å; N182-G209 WeakPolarHBondContact OD1-CA 3.46Å; N182-G209 PolarHBondContact OD1-N 2.96Å; N182-H211 PolarHBondContact ND2-O 2.95Å; N182-H211 VanDerWaalsContact ND2-O 3.15Å; N182-G212 PolarHBondContact ND2-O 3.29Å; N182-G215 WeakPolarHBondContact OD1-CA 3.42Å; N182-G215 PolarHBondContact OD1-N 3.49Å
183V98Very high97.9Very high59 Ų5934.4 Ų34.436%0.35816%0.159SC..Hα-helixtrans-62.1-44.4-177.6179.60000111.4H146 E181 A185 Q186 M187H146-V183 HydrophobicContact CB-CB 3.89Å; H146-V183 HydrophobicContact CB-CG1 3.87Å; E181-V183 VanDerWaalsContact C-N 3.33Å; E181-V183 PolarHBondContact O-N 3.44Å; V183-A185 PolarHBondContact O-N 2.87Å; V183-Q186 PolarHBondContact O-N 3.33Å; V183-M187 HydrophobicContact CG1-CE 3.62Å; V183-M187 HydrophobicContact CG1-SD 4.29Å; V183-M187 WeakPolarHBondContact O-CG 3.15Å; V183-M187 PolarHBondContact O-N 2.95Å
184G97.7Very high97.8Very high0 Ų038.2 Ų38.20%018%0.18CC..Hα-helixtrans-65.9-38.1176.700000112.5C149 L180 N182 Q186 M187 L188C149-G184 VanDerWaalsContact SG-CA 3.57Å; L180-G184 WeakPolarHBondContact O-CA 3.32Å; L180-G184 PolarHBondContact O-N 3.48Å; N182-G184 PolarHBondContact O-N 3.03Å; G184-Q186 VanDerWaalsContact C-N 3.34Å; G184-Q186 PolarHBondContact O-N 3.49Å; G184-M187 PolarHBondContact O-N 3.09Å; G184-L188 WeakPolarHBondContact O-CG 3.44Å; G184-L188 PolarHBondContact O-N 3.3Å
185A98.3Very high97.7Very high0 Ų038.1 Ų38.10%018%0.177CC..Hα-helixtrans-62.2-40.3174.700000112.3E181 N182 V183 S189 I208 L219E181-A185 PolarHBondContact O-N 2.87Å; N182-A185 WeakPolarHBondContact O-CB 3.49Å; N182-A185 PolarHBondContact O-N 3.34Å; V183-A185 PolarHBondContact O-N 2.87Å; A185-S189 VanDerWaalsContact O-CB 3.28Å; A185-S189 WeakPolarHBondContact O-CB 3.47Å; A185-S189 PolarHBondContact O-N 3.26Å; A185-I208 HydrophobicContact CB-CD1 4.1Å; A185-I208 HydrophobicContact CB-CG1 4.4Å; A185-I208 HydrophobicContact CB-CG2 3.96Å; A185-L219 HydrophobicContact CB-CD2 4.29Å; A185-L219 HydrophobicContact CB-CG 4.45Å
186Q98.5Very high97.6Very high82 Ų8239.1 Ų39.138%0.38319%0.188SC..Hα-helixtrans-63.1-44.5175-72.7168.6-21.500112N182 V183 G184 S189 K190 S218N182-Q186 WeakPolarHBondContact O-CG 3.19Å; N182-Q186 PolarHBondContact O-N 3.25Å; V183-Q186 PolarHBondContact O-N 3.33Å; G184-Q186 VanDerWaalsContact C-N 3.34Å; G184-Q186 PolarHBondContact O-N 3.49Å; Q186-S189 WeakPolarHBondContact O-CB 3.47Å; Q186-S189 PolarHBondContact O-N 3.46Å; Q186-K190 PolarHBondContact O-N 2.8Å; Q186-S218 WeakPolarHBondContact CG-OG 3.36Å
187M98.2Very high97.7Very high50 Ų5040.1 Ų40.125%0.24620%0.195CC..Hα-helixtrans-63.4-47.1177.7-69.6173.2177.600112R150 A153 V183 G184 S189 K190R150-M187 VanDerWaalsContact CA-SD 3.56Å; R150-M187 HydrophobicContact CB-CE 3.88Å; R150-M187 HydrophobicContact CB-SD 3.63Å; R150-M187 HydrophobicContact CG-CE 4.04Å; R150-M187 HydrophobicContact CG-SD 4.18Å; A153-M187 HydrophobicContact CB-CB 4.08Å; V183-M187 HydrophobicContact CG1-CE 3.62Å; V183-M187 HydrophobicContact CG1-SD 4.29Å; V183-M187 WeakPolarHBondContact O-CG 3.15Å; V183-M187 PolarHBondContact O-N 2.95Å; G184-M187 PolarHBondContact O-N 3.09Å; M187-S189 VanDerWaalsContact C-N 3.29Å; M187-S189 PolarHBondContact O-N 2.91Å; M187-K190 PolarHBondContact O-N 3.39Å
188L98.3Very high97.7Very high1 Ų134.8 Ų34.81%0.00518%0.175CC..Hα-helixtrans-64-34.9176.3-68.8-179.7000112F173 L180 G184 K190 V191 F192 L203F173-L188 HydrophobicContact CE1-CD1 3.95Å; F173-L188 HydrophobicContact CZ-CD1 4.35Å; F173-L188 HydrophobicContact CZ-CD2 4.4Å; L180-L188 HydrophobicContact CD1-CD1 3.87Å; G184-L188 WeakPolarHBondContact O-CG 3.44Å; G184-L188 PolarHBondContact O-N 3.3Å; L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 2.73Å; L188-V191 PolarHBondContact O-N 2.85Å; L188-F192 HydrophobicContact CB-CD2 4.03Å; L188-F192 HydrophobicContact CB-CE2 3.82Å; L188-F192 HydrophobicContact CB-CZ 4.44Å; L188-F192 HydrophobicContact CD1-CE2 4.12Å; L188-F192 HydrophobicContact CD2-CE2 4.05Å; L188-F192 HydrophobicContact CD2-CZ 3.86Å; L188-F192 HydrophobicContact CG-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 WeakPolarHBondContact O-CG 3.43Å; L188-F192 PolarHBondContact O-N 3.46Å; L188-L203 HydrophobicContact CD1-CD2 4.14Å
189S98.4Very high97.7Very high8 Ų837.8 Ų37.86%0.05619%0.189CC..Hα-helixtrans-57.8-45.5177.8177.40000112.3A185 Q186 M187 V191 F192 C193 S218A185-S189 VanDerWaalsContact O-CB 3.28Å; A185-S189 WeakPolarHBondContact O-CB 3.47Å; A185-S189 PolarHBondContact O-N 3.26Å; Q186-S189 WeakPolarHBondContact O-CB 3.47Å; Q186-S189 PolarHBondContact O-N 3.46Å; M187-S189 VanDerWaalsContact C-N 3.29Å; M187-S189 PolarHBondContact O-N 2.91Å; S189-V191 VanDerWaalsContact C-N 3.29Å; S189-V191 PolarHBondContact O-N 2.83Å; S189-F192 PolarHBondContact O-N 2.91Å; S189-C193 WeakPolarHBondContact O-CB 3.11Å; S189-C193 PolarHBondContact O-N 2.73Å; S189-C193 PolarHBondContact O-SG 2.69Å; S189-S218 PolarHBondContact OG-O 3.49Å
190K96.6Very high97.8Very high125 Ų12533.1 Ų33.154%0.54317%0.174SC..Hα-helixtrans-55.3-45.7176.8-173.5-173.3172.7-153.70111.9E157 Q186 M187 L188E157-K190 VanDerWaalsContact OE1-CE 3.28Å; E157-K190 WeakPolarHBondContact OE1-CE 3.36Å; E157-K190 IonicContact OE1-NZ 2.7Å; E157-K190 PolarHBondContact OE1-NZ 2.6Å; E157-K190 IonicContact OE2-NZ 2.8Å; E157-K190 PolarHBondContact OE2-NZ 2.91Å; Q186-K190 PolarHBondContact O-N 2.8Å; M187-K190 PolarHBondContact O-N 3.39Å; L188-K190 VanDerWaalsContact C-N 3.34Å; L188-K190 PolarHBondContact O-N 2.73Å
191V97Very high97.9Very high5 Ų533 Ų333%0.0317%0.174CC..Hα-helixtrans-73.3-46-176.5179.50000111.7A153 L156 E157 L188 S189 D194 M195A153-V191 HydrophobicContact CB-CG2 4.01Å; L156-V191 HydrophobicContact CB-CG1 3.82Å; L156-V191 HydrophobicContact CD1-CG1 4.34Å; E157-V191 HydrophobicContact CB-CG2 4.41Å; L188-V191 PolarHBondContact O-N 2.85Å; S189-V191 VanDerWaalsContact C-N 3.29Å; S189-V191 PolarHBondContact O-N 2.83Å; V191-D194 PolarHBondContact O-N 3.05Å; V191-M195 HydrophobicContact CG1-CE 3.4Å; V191-M195 VanDerWaalsContact CG1-CE 3.4Å; V191-M195 HydrophobicContact CG1-SD 4.15Å; V191-M195 WeakPolarHBondContact O-CG 3.47Å; V191-M195 PolarHBondContact O-N 2.89Å; V191-M195 VanDerWaalsContact O-N 3.09Å
192F98.4Very high97.9Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-77.2-30.1-174.4-63.3-21.4000113.4L156 L170 F173 L188 S189 D194 M195 G196 L198 L201 I222L156-F192 HydrophobicContact CD1-CE1 4.41Å; L170-F192 HydrophobicContact CD1-CE1 4.13Å; F173-F192 HydrophobicContact CB-CE2 4.49Å; F173-F192 HydrophobicContact CB-CZ 4.09Å; F173-F192 AromaticContact CD1-CE2 3.63Å; F173-F192 HydrophobicContact CD1-CE2 3.63Å; F173-F192 AromaticContact CD1-CZ 3.52Å; F173-F192 HydrophobicContact CD1-CZ 3.52Å; F173-F192 HydrophobicContact CD2-CE1 4.43Å; F173-F192 AromaticContact CD2-CZ 3.75Å; F173-F192 HydrophobicContact CD2-CZ 3.75Å; F173-F192 AromaticContact CE1-CE2 3.97Å; F173-F192 HydrophobicContact CE1-CE2 3.97Å; F173-F192 AromaticContact CE1-CZ 3.8Å; F173-F192 HydrophobicContact CE1-CZ 3.8Å; F173-F192 HydrophobicContact CE2-CZ 4.02Å; F173-F192 HydrophobicContact CG-CE1 4.37Å; F173-F192 HydrophobicContact CG-CE2 4.01Å; F173-F192 AromaticContact CG-CZ 3.49Å; F173-F192 HydrophobicContact CG-CZ 3.49Å; F173-F192 VanDerWaalsContact CG-CZ 3.49Å; F173-F192 HydrophobicContact CZ-CZ 4.04Å; L188-F192 HydrophobicContact CB-CD2 4.03Å; L188-F192 HydrophobicContact CB-CE2 3.82Å; L188-F192 HydrophobicContact CB-CZ 4.44Å; L188-F192 HydrophobicContact CD1-CE2 4.12Å; L188-F192 HydrophobicContact CD2-CE2 4.05Å; L188-F192 HydrophobicContact CD2-CZ 3.86Å; L188-F192 HydrophobicContact CG-CE2 4.21Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 WeakPolarHBondContact O-CG 3.43Å; L188-F192 PolarHBondContact O-N 3.46Å; S189-F192 PolarHBondContact O-N 2.91Å; F192-D194 VanDerWaalsContact C-N 3.31Å; F192-M195 HydrophobicContact CD1-SD 3.8Å; F192-M195 HydrophobicContact CE1-SD 4.27Å; F192-M195 PolarHBondContact O-N 2.83Å; F192-G196 PolarHBondContact O-N 3.36Å; F192-L198 HydrophobicContact CB-CD1 3.9Å; F192-L198 HydrophobicContact CD1-CD1 4.46Å; F192-L198 HydrophobicContact CD2-CD1 3.88Å; F192-L198 HydrophobicContact CG-CD1 3.84Å; F192-L201 HydrophobicContact CE2-CD1 4.19Å; F192-I222 HydrophobicContact CB-CD1 4.48Å; F192-I222 HydrophobicContact CB-CG1 4.14Å; F192-I222 HydrophobicContact CB-CG2 3.95Å; F192-I222 HydrophobicContact CD2-CD1 4.02Å; F192-I222 HydrophobicContact CD2-CG2 4.41Å
193C97.8Very high98Very high40 Ų4031.5 Ų31.527%0.2717%0.168SC..Hα-helixtrans-63.9-38.8170.1-72.40000111.7S189 K221 S225S189-C193 WeakPolarHBondContact O-CB 3.11Å; S189-C193 PolarHBondContact O-N 2.73Å; S189-C193 PolarHBondContact O-SG 2.69Å; C193-K221 VanDerWaalsContact SG-C 3.53Å; C193-K221 PolarHBondContact SG-O 3.14Å; C193-K221 VanDerWaalsContact SG-O 3.4Å; C193-S225 PolarHBondContact SG-OG 3.16Å
194D95.9Very high98Very high83 Ų8331.8 Ų31.844%0.44416%0.163SC..Hα-helixtrans-67.4-36.2175.3-179.748.7000111.5R160 V191 F192R160-D194 IonicContact CZ-OD2 3.41Å; R160-D194 IonicContact NE-OD2 2.86Å; R160-D194 PolarHBondContact NH1-O 3.43Å; R160-D194 IonicContact NH1-OD1 3.32Å; R160-D194 PolarHBondContact NH1-OD1 3.23Å; R160-D194 IonicContact NH1-OD2 3.45Å; R160-D194 PolarHBondContact NH1-OD2 3.08Å; V191-D194 PolarHBondContact O-N 3.05Å; F192-D194 VanDerWaalsContact C-N 3.31Å
195M97Very high98Very high12 Ų1235.6 Ų35.66%0.05918%0.181CC..Hα-helixtrans-69.8-50.5176.2-71.1172.6-177.600112.9L156 R160 L168 L170 V191 F192 S197L156-M195 HydrophobicContact CB-CE 4.27Å; R160-M195 HydrophobicContact CG-CE 4.04Å; L168-M195 HydrophobicContact CB-CE 4.12Å; L168-M195 VanDerWaalsContact O-CE 3.23Å; L168-M195 WeakPolarHBondContact O-CE 3.47Å; L168-M195 WeakPolarHBondContact O-CG 3.47Å; L170-M195 HydrophobicContact CB-SD 4.2Å; L170-M195 HydrophobicContact CD1-CE 4.49Å; L170-M195 HydrophobicContact CD1-SD 4.31Å; L170-M195 HydrophobicContact CG-SD 4.19Å; V191-M195 HydrophobicContact CG1-CE 3.4Å; V191-M195 VanDerWaalsContact CG1-CE 3.4Å; V191-M195 HydrophobicContact CG1-SD 4.15Å; V191-M195 WeakPolarHBondContact O-CG 3.47Å; V191-M195 PolarHBondContact O-N 2.89Å; V191-M195 VanDerWaalsContact O-N 3.09Å; F192-M195 HydrophobicContact CD1-SD 3.8Å; F192-M195 HydrophobicContact CE1-SD 4.27Å; F192-M195 PolarHBondContact O-N 2.83Å; M195-S197 PolarHBondContact O-N 2.78Å
196G96.7Very high98Very high23 Ų2335.6 Ų35.624%0.23718%0.181CC..  trans5914-178.600000115.8F192 S225F192-G196 PolarHBondContact O-N 3.36Å; G196-S225 WeakPolarHBondContact CA-O 3.38Å
197S98Very high98Very high20 Ų2032.8 Ų32.814%0.1417%0.174CC..  trans-105.1-0.8-170.156.50000114.6L169 L170 M195 E199L169-S197 VanDerWaalsContact CA-OG 3.3Å; L169-S197 WeakPolarHBondContact CA-OG 3.22Å; L170-S197 PolarHBondContact N-OG 2.7Å; L170-S197 CarbonylContact O-C 3.57Å; L170-S197 WeakPolarHBondContact O-CB 3.46Å; L170-S197 PolarHBondContact O-OG 3.17Å; M195-S197 PolarHBondContact O-N 2.78Å; S197-E199 PolarHBondContact O-N 3.33Å
198L98.8Very high98Very high0 Ų030.4 Ų30.40%016%0.162CC..  trans-65.4130.8-174.7-70.6172.4000111.4L170 F173 F192 L201 I222 N228 L229L170-L198 HydrophobicContact CB-CD2 4.19Å; L170-L198 PolarHBondContact O-N 3.43Å; F173-L198 HydrophobicContact CB-CD2 3.94Å; F192-L198 HydrophobicContact CB-CD1 3.9Å; F192-L198 HydrophobicContact CD1-CD1 4.46Å; F192-L198 HydrophobicContact CD2-CD1 3.88Å; F192-L198 HydrophobicContact CG-CD1 3.84Å; L198-L201 HydrophobicContact CD1-CD1 4.28Å; L198-I222 HydrophobicContact CD1-CG2 3.82Å; L198-N228 CarbonylContact O-C 3.33Å; L198-L229 HydrophobicContact CB-CD1 4.16Å; L198-L229 PolarHBondContact O-N 3.36Å
199E98.8Very high97.9Very high63 Ų6330.7 Ų30.729%0.29417%0.165SC..SBendtrans-107.5-29.6170.1-62.9177.2-160.900110K171 S197 N228 R230 V231K171-E199 HydrophobicContact CB-CB 4.39Å; K171-E199 HydrophobicContact CB-CG 4.25Å; K171-E199 WeakPolarHBondContact CD-OE1 3.43Å; K171-E199 HydrophobicContact CG-CG 4.4Å; K171-E199 WeakPolarHBondContact O-CA 3.4Å; K171-E199 PolarHBondContact O-N 3.39Å; S197-E199 PolarHBondContact O-N 3.33Å; E199-N228 HydrophobicContact CG-CB 4.26Å; E199-R230 WeakPolarHBondContact O-CA 3.48Å; E199-R230 PolarHBondContact O-N 2.93Å; E199-V231 PolarHBondContact O-N 3.31Å; E199-V231 VanDerWaalsContact O-N 3.09Å
200E98.8Very high97.7Very high72 Ų7234.7 Ų34.734%0.33619%0.185SC..EExtended strand (participates in β ladder)trans-136.8127.2175.7-54.4-177.5-169.700111.1K171 I172 F173 V231K171-E200 PolarHBondContact O-N 3.48Å; I172-E200 HydrophobicContact CB-CB 4.36Å; I172-E200 HydrophobicContact CD1-CG 4.44Å; I172-E200 HydrophobicContact CG1-CB 4.05Å; I172-E200 HydrophobicContact CG1-CG 4.04Å; I172-E200 HydrophobicContact CG2-CB 4.14Å; F173-E200 PolarHBondContact N-O 2.94Å; E200-V231 WeakPolarHBondContact CA-O 3.49Å; E200-V231 HydrophobicContact CB-CB 4.08Å; E200-V231 HydrophobicContact CG-CB 3.88Å; E200-V231 HydrophobicContact CG-CG2 3.93Å
201L98.8Very high97.6Very high1 Ų135 Ų351%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-127.2119.7174.8-179.861.4000110.3F173 F192 L198 L203 I222 L229 V231 L232 N233F173-L201 HydrophobicContact CB-CD1 4.35Å; F173-L201 HydrophobicContact CD1-CD1 3.86Å; F192-L201 HydrophobicContact CE2-CD1 4.19Å; L198-L201 HydrophobicContact CD1-CD1 4.28Å; L201-L203 HydrophobicContact CD1-CD1 3.96Å; L201-L203 HydrophobicContact CD1-CD2 4.42Å; L201-L203 HydrophobicContact CD1-CG 3.87Å; L201-L203 HydrophobicContact CD2-CD1 4.25Å; L201-L203 HydrophobicContact CG-CD1 4.22Å; L201-L203 HydrophobicContact CG-CG 4.22Å; L201-I222 HydrophobicContact CD2-CG2 3.85Å; L201-L229 HydrophobicContact CB-CD1 4Å; L201-V231 PolarHBondContact N-O 3.02Å; L201-L232 HydrophobicContact CB-CD1 4.26Å; L201-L232 HydrophobicContact CD2-CD1 4.17Å; L201-L232 HydrophobicContact CG-CD1 4.38Å; L201-L232 WeakPolarHBondContact O-CA 3.39Å; L201-N233 PolarHBondContact O-N 2.87Å
202S98.7Very high97.5Very high18 Ų1835.8 Ų35.813%0.12620%0.197CC..EExtended strand (participates in β ladder)trans-127.5108.4-179.6169.30000111F173 S174 G175 Y204 N233F173-S202 PolarHBondContact O-N 2.74Å; S174-S202 WeakPolarHBondContact CA-O 3.39Å; S174-S202 PolarHBondContact OG-OG 3.32Å; G175-S202 PolarHBondContact N-O 2.92Å; S202-Y204 WeakPolarHBondContact OG-CD1 3.44Å; S202-Y204 WeakPolarHBondContact OG-CE1 3.38Å; S202-N233 WeakPolarHBondContact CA-O 3.28Å
203L98.6Very high97.4Very high0 Ų037.9 Ų37.90%021%0.208CC..  trans-127.131.8-177.1-65.9177.4000112.4F173 L180 L188 L201 N206 I208 L219 N233 L234 N237F173-L203 HydrophobicContact CD1-CD2 4.17Å; F173-L203 HydrophobicContact CE1-CD2 3.75Å; L180-L203 HydrophobicContact CD1-CD2 3.97Å; L188-L203 HydrophobicContact CD1-CD2 4.14Å; L201-L203 HydrophobicContact CD1-CD1 3.96Å; L201-L203 HydrophobicContact CD1-CD2 4.42Å; L201-L203 HydrophobicContact CD1-CG 3.87Å; L201-L203 HydrophobicContact CD2-CD1 4.25Å; L201-L203 HydrophobicContact CG-CD1 4.22Å; L201-L203 HydrophobicContact CG-CG 4.22Å; L203-N206 VanDerWaalsContact C-ND2 3.28Å; L203-N206 PolarHBondContact O-ND2 3.5Å; L203-I208 HydrophobicContact CB-CD1 4.36Å; L203-I208 HydrophobicContact CD1-CD1 4.45Å; L203-L219 HydrophobicContact CD1-CD2 3.48Å; L203-L219 VanDerWaalsContact CD1-CD2 3.48Å; L203-N233 PolarHBondContact N-O 3.09Å; L203-L234 HydrophobicContact CB-CD2 4.09Å; L203-N237 PolarHBondContact O-ND2 2.92Å
204Y98.5Very high97.4Very high65 Ų6539.6 Ų39.626%0.25522%0.215SC..  trans-61149.4-179.266-85.7000113.7G176 R177 S202 N206 S235G176-Y204 CarbonylContact C-O 3.47Å; G176-Y204 WeakPolarHBondContact CA-O 3.4Å; R177-Y204 HydrophobicContact CG-CD2 4.09Å; R177-Y204 HydrophobicContact CG-CE2 3.53Å; R177-Y204 PolarHBondContact N-O 3.19Å; S202-Y204 WeakPolarHBondContact OG-CD1 3.44Å; S202-Y204 WeakPolarHBondContact OG-CE1 3.38Å; Y204-N206 PolarHBondContact O-N 3.06Å; Y204-N206 PolarHBondContact O-ND2 3.12Å; Y204-S235 CarbonylContact C-O 2.96Å; Y204-S235 WeakPolarHBondContact CA-O 3.48Å; Y204-S235 WeakPolarHBondContact CB-O 3.39Å
205Q98Very high97.5Very high79 Ų7935.7 Ų35.737%0.36919%0.194SC..SBendtrans54.453.9175.5-169.2165.961.600112.9R177 S235 D236R177-Q205 VanDerWaalsContact CA-O 3.24Å; R177-Q205 WeakPolarHBondContact CA-O 3.42Å; R177-Q205 HydrophobicContact CG-CB 4.04Å; R177-Q205 HydrophobicContact CG-CG 4.32Å; R177-Q205 VanDerWaalsContact CG-OE1 3.31Å; R177-Q205 PolarHBondContact N-O 2.94Å; Q205-S235 PolarHBondContact N-O 3.17Å; Q205-D236 WeakPolarHBondContact CA-O 3.35Å; Q205-D236 HydrophobicContact CB-CB 4.05Å; Q205-D236 WeakPolarHBondContact CB-OD2 3.37Å; Q205-D236 VanDerWaalsContact CD-OD2 3.23Å; Q205-D236 WeakPolarHBondContact CG-OD2 3.38Å; Q205-D236 PolarHBondContact N-O 3.5Å; Q205-D236 PolarHBondContact NE2-OD2 3.34Å
206N98.4Very high97.6Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..SBendtrans-117.3-3179.6-85.8-54.9000114.6G175 N178 R179 L180 E181 L203 Y204 I208 N237G175-N206 PolarHBondContact O-ND2 3.02Å; N178-N206 WeakPolarHBondContact CA-OD1 3.48Å; N178-N206 WeakPolarHBondContact CB-OD1 3.37Å; N178-N206 PolarHBondContact N-OD1 3.09Å; R179-N206 CarbonylContact C-O 3.34Å; R179-N206 PolarHBondContact N-OD1 2.83Å; L180-N206 HydrophobicContact CB-CB 4.21Å; L180-N206 HydrophobicContact CG-CB 4.46Å; L180-N206 VanDerWaalsContact CG-OD1 3.32Å; L180-N206 WeakPolarHBondContact CG-OD1 3.46Å; L180-N206 PolarHBondContact N-O 3.47Å; L180-N206 PolarHBondContact N-OD1 3.25Å; E181-N206 PolarHBondContact N-O 3.45Å; L203-N206 VanDerWaalsContact C-ND2 3.28Å; L203-N206 PolarHBondContact O-ND2 3.5Å; Y204-N206 PolarHBondContact O-N 3.06Å; Y204-N206 PolarHBondContact O-ND2 3.12Å; N206-I208 HydrophobicContact CB-CD1 3.98Å; N206-I208 HydrophobicContact CB-CG1 3.79Å; N206-I208 PolarHBondContact O-N 3.49Å; N206-N237 WeakPolarHBondContact CA-OD1 3.43Å; N206-N237 WeakPolarHBondContact CB-OD1 3.49Å; N206-N237 PolarHBondContact N-OD1 3.15Å; N206-N237 VanDerWaalsContact N-OD1 3.12Å
207G97.4Very high97.7Very high22 Ų2237.3 Ų37.323%0.22720%0.197CC..  trans65.223.6-176.700000112.9I210 N237G207-I210 WeakPolarHBondContact O-CB 3.33Å; G207-I210 WeakPolarHBondContact O-CG2 3.46Å; G207-I210 PolarHBondContact O-N 3.02Å; G207-N237 PolarHBondContact N-OD1 3.38Å; G207-N237 VanDerWaalsContact N-OD1 3.1Å
208I98.3Very high97.7Very high0 Ų036.8 Ų36.80%019%0.193CC..THydrogen-bonded Turntrans-69.6132.4175.2-51.8171.9000107.5A185 L203 N206 I216 L219 N237 S238A185-I208 HydrophobicContact CB-CD1 4.1Å; A185-I208 HydrophobicContact CB-CG1 4.4Å; A185-I208 HydrophobicContact CB-CG2 3.96Å; L203-I208 HydrophobicContact CB-CD1 4.36Å; L203-I208 HydrophobicContact CD1-CD1 4.45Å; N206-I208 HydrophobicContact CB-CD1 3.98Å; N206-I208 HydrophobicContact CB-CG1 3.79Å; N206-I208 PolarHBondContact O-N 3.49Å; I208-I216 HydrophobicContact CB-CD1 4.38Å; I208-I216 HydrophobicContact CG2-CD1 3.74Å; I208-L219 HydrophobicContact CD1-CD1 4.05Å; I208-L219 HydrophobicContact CD1-CD2 4.4Å; I208-L219 HydrophobicContact CG2-CD1 4.09Å; I208-N237 HydrophobicContact CB-CB 4.32Å; I208-N237 WeakPolarHBondContact CG1-OD1 3.45Å; I208-N237 PolarHBondContact N-OD1 2.75Å; I208-N237 WeakPolarHBondContact O-CB 3.41Å; I208-S238 PolarHBondContact O-N 3.02Å
209G97.5Very high97.7Very high7 Ų736.8 Ų36.87%0.07219%0.193CC..THydrogen-bonded Turntrans92.2-6.6-177.700000115.2N182 H211 G212 S238N182-G209 WeakPolarHBondContact OD1-CA 3.46Å; N182-G209 PolarHBondContact OD1-N 2.96Å; G209-H211 PolarHBondContact O-N 3.25Å; G209-G212 CarbonylContact C-O 3.48Å; G209-G212 VanDerWaalsContact CA-O 3.31Å; G209-G212 WeakPolarHBondContact CA-O 3.49Å; G209-G212 PolarHBondContact O-N 3.07Å; G209-S238 CarbonylContact C-O 3.43Å; G209-S238 VanDerWaalsContact CA-O 3.29Å; G209-S238 WeakPolarHBondContact CA-O 3.31Å
210I94.2Very high97.7Very high92 Ų9234.4 Ų34.447%0.47218%0.183SC..THydrogen-bonded Turntrans-67.1-20.2-176.6-161.5170.4000113.7G207G207-I210 WeakPolarHBondContact O-CB 3.33Å; G207-I210 WeakPolarHBondContact O-CG2 3.46Å; G207-I210 PolarHBondContact O-N 3.02Å
211H93.9Very high97.7Very high131 Ų13137 Ų3761%0.60619%0.193SC*.THydrogen-bonded Turntrans-12551.9179.2-59.9-46.2000109.7N182 G209N182-H211 PolarHBondContact ND2-O 2.95Å; N182-H211 VanDerWaalsContact ND2-O 3.15Å; G209-H211 PolarHBondContact O-N 3.25Å
212G94.3Very high97.7Very high22 Ų2237 Ų3723%0.22719%0.193CC..  trans88.7177.9-179.500000114.5N182 G209 D214N182-G212 PolarHBondContact ND2-O 3.29Å; G209-G212 CarbonylContact C-O 3.48Å; G209-G212 VanDerWaalsContact CA-O 3.31Å; G209-G212 WeakPolarHBondContact CA-O 3.49Å; G209-G212 PolarHBondContact O-N 3.07Å; G212-D214 PolarHBondContact O-N 3.12Å
213I96.9Very high97.7Very high45 Ų4536.1 Ų36.123%0.23119%0.187CC..THydrogen-bonded Turntrans-80.3-13.5-163.3-160.4177000115.3G215 I216 L217 R242I213-G215 VanDerWaalsContact C-N 3.28Å; I213-G215 PolarHBondContact O-N 2.85Å; I213-G215 VanDerWaalsContact O-N 3.12Å; I213-I216 HydrophobicContact CG1-CB 4.21Å; I213-I216 WeakPolarHBondContact O-CA 3.26Å; I213-I216 WeakPolarHBondContact O-CB 3.4Å; I213-I216 PolarHBondContact O-N 3.34Å; I213-L217 HydrophobicContact CD1-CD2 4.26Å; I213-L217 HydrophobicContact CD1-CG 4.48Å; I213-L217 HydrophobicContact CG1-CD2 4.45Å; I213-L217 HydrophobicContact CG1-CG 4.21Å; I213-L217 HydrophobicContact CG2-CD1 3.98Å; I213-L217 HydrophobicContact CG2-CG 4.22Å; I213-L217 PolarHBondContact O-N 3.45Å; I213-R242 HydrophobicContact CD1-CB 3.67Å
214D98.1Very high97.7Very high76 Ų7641.9 Ų41.941%0.40621%0.212SC..Hα-helixtrans-54.9-38.5-168.7-75.4-21.3000115.1G212 I216 L217 S218G212-D214 PolarHBondContact O-N 3.12Å; D214-I216 VanDerWaalsContact C-N 3.32Å; D214-I216 PolarHBondContact O-N 3.09Å; D214-L217 PolarHBondContact O-N 2.87Å; D214-S218 PolarHBondContact O-N 3.28Å; D214-S218 PolarHBondContact O-OG 2.91Å
215G98.2Very high97.6Very high0 Ų040.8 Ų40.80%021%0.214CC..Hα-helixtrans-62.6-41.8175.400000111.5N182 I213 S218 L219N182-G215 WeakPolarHBondContact OD1-CA 3.42Å; N182-G215 PolarHBondContact OD1-N 3.49Å; I213-G215 VanDerWaalsContact C-N 3.28Å; I213-G215 PolarHBondContact O-N 2.85Å; I213-G215 VanDerWaalsContact O-N 3.12Å; G215-S218 WeakPolarHBondContact O-CB 3.41Å; G215-S218 PolarHBondContact O-N 3.13Å; G215-L219 WeakPolarHBondContact O-CG 3.32Å; G215-L219 PolarHBondContact O-N 3.15Å
216I98.5Very high97.6Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-67.8-40.5178.5-49.9-53.8000111.2I208 I213 D214 S218 L219 V220 L239I208-I216 HydrophobicContact CB-CD1 4.38Å; I208-I216 HydrophobicContact CG2-CD1 3.74Å; I213-I216 HydrophobicContact CG1-CB 4.21Å; I213-I216 WeakPolarHBondContact O-CA 3.26Å; I213-I216 WeakPolarHBondContact O-CB 3.4Å; I213-I216 PolarHBondContact O-N 3.34Å; D214-I216 VanDerWaalsContact C-N 3.32Å; D214-I216 PolarHBondContact O-N 3.09Å; I216-S218 PolarHBondContact O-N 3.42Å; I216-L219 HydrophobicContact CD1-CD1 4.16Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 3.23Å; I216-L219 VanDerWaalsContact O-N 3.12Å; I216-V220 WeakPolarHBondContact O-CG2 3.24Å; I216-V220 PolarHBondContact O-N 3.17Å; I216-L239 HydrophobicContact CD1-CD1 3.58Å; I216-L239 HydrophobicContact CD1-CG 3.74Å; I216-L239 HydrophobicContact CG1-CG 4.33Å; I216-L239 HydrophobicContact CG2-CG 4.39Å
217L98.6Very high97.6Very high69 Ų6940.1 Ų40.136%0.36122%0.217SC..Hα-helixtrans-61-34.9173.7-64-178.2000111.8I213 D214 V220 K221 A246I213-L217 HydrophobicContact CD1-CD2 4.26Å; I213-L217 HydrophobicContact CD1-CG 4.48Å; I213-L217 HydrophobicContact CG1-CD2 4.45Å; I213-L217 HydrophobicContact CG1-CG 4.21Å; I213-L217 HydrophobicContact CG2-CD1 3.98Å; I213-L217 HydrophobicContact CG2-CG 4.22Å; I213-L217 PolarHBondContact O-N 3.45Å; D214-L217 PolarHBondContact O-N 2.87Å; L217-V220 PolarHBondContact O-N 3.08Å; L217-K221 WeakPolarHBondContact O-CG 3.42Å; L217-K221 PolarHBondContact O-N 2.88Å; L217-K221 VanDerWaalsContact O-N 3.09Å; L217-A246 HydrophobicContact CD2-CB 4.35Å
218S98.6Very high97.6Very high9 Ų942.9 Ų42.96%0.06323%0.226CC..Hα-helixtrans-68.6-39.2174.3-56.40000112.1Q186 S189 D214 G215 I216 K221 I222Q186-S218 WeakPolarHBondContact CG-OG 3.36Å; S189-S218 PolarHBondContact OG-O 3.49Å; D214-S218 PolarHBondContact O-N 3.28Å; D214-S218 PolarHBondContact O-OG 2.91Å; G215-S218 WeakPolarHBondContact O-CB 3.41Å; G215-S218 PolarHBondContact O-N 3.13Å; I216-S218 PolarHBondContact O-N 3.42Å; S218-K221 WeakPolarHBondContact O-CB 3.13Å; S218-K221 PolarHBondContact O-N 3.25Å; S218-I222 PolarHBondContact O-N 3.11Å
219L98.6Very high97.6Very high1 Ų142.9 Ų42.91%0.00523%0.226CC..Hα-helixtrans-62.4-41.7171-63.4178.6000111.9A185 L203 I208 G215 I216 K221 I222 I223 L234A185-L219 HydrophobicContact CB-CD2 4.29Å; A185-L219 HydrophobicContact CB-CG 4.45Å; L203-L219 HydrophobicContact CD1-CD2 3.48Å; L203-L219 VanDerWaalsContact CD1-CD2 3.48Å; I208-L219 HydrophobicContact CD1-CD1 4.05Å; I208-L219 HydrophobicContact CD1-CD2 4.4Å; I208-L219 HydrophobicContact CG2-CD1 4.09Å; G215-L219 WeakPolarHBondContact O-CG 3.32Å; G215-L219 PolarHBondContact O-N 3.15Å; I216-L219 HydrophobicContact CD1-CD1 4.16Å; I216-L219 WeakPolarHBondContact O-CB 3.48Å; I216-L219 PolarHBondContact O-N 3.23Å; I216-L219 VanDerWaalsContact O-N 3.12Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 2.86Å; L219-I222 HydrophobicContact CD2-CD1 4.15Å; L219-I222 WeakPolarHBondContact O-CA 3.48Å; L219-I222 WeakPolarHBondContact O-CB 3.35Å; L219-I222 PolarHBondContact O-N 3.35Å; L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.44Å; L219-I223 PolarHBondContact O-N 2.81Å; L219-L234 HydrophobicContact CD1-CD1 3.93Å; L219-L234 HydrophobicContact CD1-CD2 3.79Å; L219-L234 HydrophobicContact CD1-CG 4.46Å
220V98.7Very high97.7Very high13 Ų1347.5 Ų47.58%0.07924%0.242CC..Hα-helixtrans-59.2-38.5175.1164.50000111.8I216 L217 I222 I223 K224 A246 I247 A250I216-V220 WeakPolarHBondContact O-CG2 3.24Å; I216-V220 PolarHBondContact O-N 3.17Å; L217-V220 PolarHBondContact O-N 3.08Å; V220-I222 VanDerWaalsContact C-N 3.34Å; V220-I222 PolarHBondContact O-N 3.34Å; V220-I223 PolarHBondContact O-N 2.87Å; V220-K224 HydrophobicContact CG1-CD 4.15Å; V220-K224 HydrophobicContact CG1-CG 4.48Å; V220-K224 WeakPolarHBondContact O-CB 3.35Å; V220-K224 WeakPolarHBondContact O-CG 3.33Å; V220-K224 PolarHBondContact O-N 2.96Å; V220-A246 HydrophobicContact CG2-CB 3.98Å; V220-A246 WeakPolarHBondContact CG2-O 3.25Å; V220-I247 HydrophobicContact CG2-CD1 4.08Å; V220-A250 HydrophobicContact CG1-CB 3.94Å; V220-A250 HydrophobicContact CG2-CB 4.34Å
221K98.7Very high97.9Very high126 Ų12644.1 Ų44.155%0.54823%0.225SC..Hα-helixtrans-61.5-41.6173.4-69.3173.8-176176.20111.7C193 L217 S218 L219 K224 S225C193-K221 VanDerWaalsContact SG-C 3.53Å; C193-K221 PolarHBondContact SG-O 3.14Å; C193-K221 VanDerWaalsContact SG-O 3.4Å; L217-K221 WeakPolarHBondContact O-CG 3.42Å; L217-K221 PolarHBondContact O-N 2.88Å; L217-K221 VanDerWaalsContact O-N 3.09Å; S218-K221 WeakPolarHBondContact O-CB 3.13Å; S218-K221 PolarHBondContact O-N 3.25Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 2.86Å; K221-K224 PolarHBondContact O-N 3.16Å; K221-S225 WeakPolarHBondContact O-CB 3.5Å; K221-S225 PolarHBondContact O-N 3.08Å; K221-S225 PolarHBondContact O-OG 2.99Å
222I98.6Very high98.1Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-62.8-47.8176.3-61.9163.7000110.5F192 L198 L201 S218 L219 V220 K224 S225 S226F192-I222 HydrophobicContact CB-CD1 4.48Å; F192-I222 HydrophobicContact CB-CG1 4.14Å; F192-I222 HydrophobicContact CB-CG2 3.95Å; F192-I222 HydrophobicContact CD2-CD1 4.02Å; F192-I222 HydrophobicContact CD2-CG2 4.41Å; L198-I222 HydrophobicContact CD1-CG2 3.82Å; L201-I222 HydrophobicContact CD2-CG2 3.85Å; S218-I222 PolarHBondContact O-N 3.11Å; L219-I222 HydrophobicContact CD2-CD1 4.15Å; L219-I222 WeakPolarHBondContact O-CA 3.48Å; L219-I222 WeakPolarHBondContact O-CB 3.35Å; L219-I222 PolarHBondContact O-N 3.35Å; V220-I222 VanDerWaalsContact C-N 3.34Å; V220-I222 PolarHBondContact O-N 3.34Å; I222-K224 PolarHBondContact O-N 3.49Å; I222-S225 CarbonylContact O-C 3.14Å; I222-S225 PolarHBondContact O-N 2.68Å; I222-S225 VanDerWaalsContact O-N 3.09Å; I222-S226 WeakPolarHBondContact O-CB 3.41Å; I222-S226 PolarHBondContact O-N 3.28Å; I222-S226 VanDerWaalsContact O-N 3.11Å; I222-S226 PolarHBondContact O-OG 3.44Å
223I98.6Very high98.3Very high1 Ų138.4 Ų38.41%0.00519%0.194CC..Hα-helixtrans-57.2-48.7179.2-66.3164.5000110.3L219 V220 S225 S226 L229 L232 I247 A250 V254L219-I223 VanDerWaalsContact O-CG1 3.32Å; L219-I223 WeakPolarHBondContact O-CG1 3.44Å; L219-I223 PolarHBondContact O-N 2.81Å; V220-I223 PolarHBondContact O-N 2.87Å; I223-S225 PolarHBondContact O-N 3.11Å; I223-S226 PolarHBondContact O-N 3.32Å; I223-S226 VanDerWaalsContact O-N 3.17Å; I223-L229 HydrophobicContact CG1-CD2 4.43Å; I223-L232 HydrophobicContact CD1-CD2 3.55Å; I223-L232 HydrophobicContact CG1-CD2 3.97Å; I223-I247 HydrophobicContact CD1-CD1 3.48Å; I223-I247 VanDerWaalsContact CD1-CD1 3.48Å; I223-A250 HydrophobicContact CB-CB 4.44Å; I223-A250 HydrophobicContact CG2-CB 3.9Å; I223-V254 HydrophobicContact CG2-CG1 3.68Å; I223-V254 HydrophobicContact CG2-CG2 4.09Å; I223-V254 WeakPolarHBondContact O-CG1 3.37Å
224K98.3Very high98.4Very high120 Ų12036.3 Ų36.352%0.52218%0.183SC..Hα-helixtrans-64.1-26.4177.8-72.7-178.6175.3-175.40114.1V220 K221 I222 A250 S253V220-K224 HydrophobicContact CG1-CD 4.15Å; V220-K224 HydrophobicContact CG1-CG 4.48Å; V220-K224 WeakPolarHBondContact O-CB 3.35Å; V220-K224 WeakPolarHBondContact O-CG 3.33Å; V220-K224 PolarHBondContact O-N 2.96Å; K221-K224 PolarHBondContact O-N 3.16Å; I222-K224 PolarHBondContact O-N 3.49Å; K224-A250 HydrophobicContact CG-CB 4.33Å; K224-S253 WeakPolarHBondContact CA-OG 3.24Å
225S98Very high98.5Very high43 Ų4333.2 Ų33.230%0.30117%0.168SC..Hα-helixtrans-90.4-3.8179.7-51.40000113.2C193 G196 K221 I222 I223 P227C193-S225 PolarHBondContact SG-OG 3.16Å; G196-S225 WeakPolarHBondContact CA-O 3.38Å; K221-S225 WeakPolarHBondContact O-CB 3.5Å; K221-S225 PolarHBondContact O-N 3.08Å; K221-S225 PolarHBondContact O-OG 2.99Å; I222-S225 CarbonylContact O-C 3.14Å; I222-S225 PolarHBondContact O-N 2.68Å; I222-S225 VanDerWaalsContact O-N 3.09Å; I223-S225 PolarHBondContact O-N 3.11Å; S225-P227 WeakPolarHBondContact O-CD 3.49Å
226S97.9Very high98.5Very high0 Ų036.6 Ų36.60%019%0.186CC..  trans-122.371-173.5-52.30000111.2I222 I223 N228 L229I222-S226 WeakPolarHBondContact O-CB 3.41Å; I222-S226 PolarHBondContact O-N 3.28Å; I222-S226 VanDerWaalsContact O-N 3.11Å; I222-S226 PolarHBondContact O-OG 3.44Å; I223-S226 PolarHBondContact O-N 3.32Å; I223-S226 VanDerWaalsContact O-N 3.17Å; S226-N228 PolarHBondContact O-N 3.41Å; S226-N228 VanDerWaalsContact O-N 3.1Å; S226-L229 WeakPolarHBondContact O-CB 3.41Å; S226-L229 PolarHBondContact O-N 3.16Å
227P96.9Very high98.5Very high65 Ų6536.8 Ų36.842%0.42219%0.186SC..THydrogen-bonded Turntrans-66.3-15.5-173.527.7-36.6000114.5S225 L229 N256S225-P227 WeakPolarHBondContact O-CD 3.49Å; P227-L229 VanDerWaalsContact C-N 3.35Å; P227-N256 PolarHBondContact O-ND2 3.5Å; P227-N256 VanDerWaalsContact O-ND2 3.15Å
228N98.1Very high98.4Very high81 Ų8134.8 Ų34.843%0.43318%0.179SC..THydrogen-bonded Turntrans-92.35.7176-60.5-44.8000112.9L198 E199 S226 R230L198-N228 CarbonylContact O-C 3.33Å; E199-N228 HydrophobicContact CG-CB 4.26Å; S226-N228 PolarHBondContact O-N 3.41Å; S226-N228 VanDerWaalsContact O-N 3.1Å; N228-R230 PolarHBondContact O-N 3.35Å
229L98.8Very high98.4Very high0 Ų034.4 Ų34.40%018%0.176CC..  trans-61.3122.5179.8-164.973.8000110.2L198 L201 I223 S226 P227 L232 V254 N256 L257L198-L229 HydrophobicContact CB-CD1 4.16Å; L198-L229 PolarHBondContact O-N 3.36Å; L201-L229 HydrophobicContact CB-CD1 4Å; I223-L229 HydrophobicContact CG1-CD2 4.43Å; S226-L229 WeakPolarHBondContact O-CB 3.41Å; S226-L229 PolarHBondContact O-N 3.16Å; P227-L229 VanDerWaalsContact C-N 3.35Å; L229-L232 HydrophobicContact CD2-CB 4.05Å; L229-L232 HydrophobicContact CD2-CD1 4.3Å; L229-V254 HydrophobicContact CB-CG1 3.93Å; L229-V254 HydrophobicContact CD2-CG1 4.3Å; L229-N256 CarbonylContact O-C 3.54Å; L229-L257 HydrophobicContact CD2-CD1 4.37Å; L229-L257 HydrophobicContact CG-CD1 4.3Å; L229-L257 WeakPolarHBondContact O-CA 3.41Å; L229-L257 PolarHBondContact O-N 3.24Å
230R98.7Very high98.3Very high104 Ų10435.5 Ų35.539%0.39218%0.183SC..  trans-108.4-36.6178.8-70.1170.756.4153.74.3112E199 N228 L257 E258 E259E199-R230 WeakPolarHBondContact O-CA 3.48Å; E199-R230 PolarHBondContact O-N 2.93Å; N228-R230 PolarHBondContact O-N 3.35Å; R230-L257 WeakPolarHBondContact O-CD1 3.16Å; R230-E258 IonicContact CZ-OE1 2.68Å; R230-E258 IonicContact CZ-OE2 2.83Å; R230-E258 VanDerWaalsContact CZ-OE2 3.32Å; R230-E258 IonicContact NE-OE1 3.16Å; R230-E258 PolarHBondContact NE-OE1 2.94Å; R230-E258 IonicContact NE-OE2 2.73Å; R230-E258 PolarHBondContact NE-OE2 3.43Å; R230-E258 VanDerWaalsContact NH2-CD 3.28Å; R230-E258 IonicContact NH2-OE1 2.8Å; R230-E258 PolarHBondContact NH2-OE1 3.39Å; R230-E258 VanDerWaalsContact NH2-OE1 3.07Å; R230-E258 IonicContact NH2-OE2 3.84Å; R230-E258 PolarHBondContact NH2-OE2 3.14Å; R230-E258 WeakPolarHBondContact O-CA 3.33Å; R230-E258 PolarHBondContact O-N 3.34Å; R230-E259 PolarHBondContact O-N 3.43Å
231V98.9Very high98.2Very high21 Ų2136 Ų3613%0.12719%0.186CC..EExtended strand (participates in β ladder)trans-123.4122.7-179.6-176.80000109.6E199 E200 L201 E259 Y261E199-V231 PolarHBondContact O-N 3.31Å; E199-V231 VanDerWaalsContact O-N 3.09Å; E200-V231 WeakPolarHBondContact CA-O 3.49Å; E200-V231 HydrophobicContact CB-CB 4.08Å; E200-V231 HydrophobicContact CG-CB 3.88Å; E200-V231 HydrophobicContact CG-CG2 3.93Å; L201-V231 PolarHBondContact N-O 3.02Å; V231-E259 WeakPolarHBondContact CA-O 3.38Å; V231-E259 HydrophobicContact CB-CB 4.46Å; V231-E259 HydrophobicContact CG1-CB 4.19Å; V231-E259 HydrophobicContact CG2-CB 4.16Å; V231-E259 HydrophobicContact CG2-CG 4.26Å; V231-Y261 HydrophobicContact CG1-CE2 4.33Å
232L98.9Very high98.1Very high2 Ų236.9 Ų36.91%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-123.8115.7171.9179.160.7000109.4L201 I223 L229 L234 L257 E259 L260 Y261L201-L232 HydrophobicContact CB-CD1 4.26Å; L201-L232 HydrophobicContact CD2-CD1 4.17Å; L201-L232 HydrophobicContact CG-CD1 4.38Å; L201-L232 WeakPolarHBondContact O-CA 3.39Å; I223-L232 HydrophobicContact CD1-CD2 3.55Å; I223-L232 HydrophobicContact CG1-CD2 3.97Å; L229-L232 HydrophobicContact CD2-CB 4.05Å; L229-L232 HydrophobicContact CD2-CD1 4.3Å; L232-L234 HydrophobicContact CD1-CD1 4.17Å; L232-L234 HydrophobicContact CD1-CD2 3.92Å; L232-L234 HydrophobicContact CD1-CG 3.83Å; L232-L234 HydrophobicContact CD2-CD1 4.26Å; L232-L234 HydrophobicContact CG-CD1 4.31Å; L232-L234 HydrophobicContact CG-CG 4.08Å; L232-L257 HydrophobicContact CB-CD1 3.98Å; L232-E259 PolarHBondContact N-O 3.25Å; L232-L260 HydrophobicContact CB-CD1 4.09Å; L232-L260 HydrophobicContact CD2-CD1 3.83Å; L232-L260 HydrophobicContact CG-CD1 4.09Å; L232-Y261 PolarHBondContact O-N 3.3Å
233N98.8Very high98.1Very high31 Ų3136.9 Ų36.917%0.16619%0.186CC..EExtended strand (participates in β ladder)trans-121.3109.2175.8-174.6-13.9000111.4L201 S202 L203 S235 Y261L201-N233 PolarHBondContact O-N 2.87Å; S202-N233 WeakPolarHBondContact CA-O 3.28Å; L203-N233 PolarHBondContact N-O 3.09Å; N233-S235 WeakPolarHBondContact OD1-CB 3.13Å; N233-S235 PolarHBondContact OD1-N 3.08Å; N233-S235 PolarHBondContact OD1-OG 3.34Å; N233-Y261 HydrophobicContact CB-CD2 3.99Å; N233-Y261 HydrophobicContact CB-CG 4.32Å
234L98.8Very high98Very high0 Ų036.8 Ų36.80%019%0.185CC..  trans-118.315.2177.6-56.2179.5000112.2L203 L219 L232 N237 I247 Y261 L262 C265L203-L234 HydrophobicContact CB-CD2 4.09Å; L219-L234 HydrophobicContact CD1-CD1 3.93Å; L219-L234 HydrophobicContact CD1-CD2 3.79Å; L219-L234 HydrophobicContact CD1-CG 4.46Å; L232-L234 HydrophobicContact CD1-CD1 4.17Å; L232-L234 HydrophobicContact CD1-CD2 3.92Å; L232-L234 HydrophobicContact CD1-CG 3.83Å; L232-L234 HydrophobicContact CD2-CD1 4.26Å; L232-L234 HydrophobicContact CG-CD1 4.31Å; L232-L234 HydrophobicContact CG-CG 4.08Å; L234-N237 WeakPolarHBondContact O-CB 3.43Å; L234-N237 PolarHBondContact O-ND2 3.16Å; L234-I247 HydrophobicContact CD1-CD1 3.95Å; L234-Y261 PolarHBondContact N-O 2.82Å; L234-L262 HydrophobicContact CB-CD2 4.02Å; L234-L262 HydrophobicContact CD1-CD2 4.22Å; L234-L262 HydrophobicContact CG-CD2 4.45Å; L234-C265 PolarHBondContact O-SG 3.38Å; L234-C265 VanDerWaalsContact O-SG 3.42Å
235S98.7Very high98Very high12 Ų1234.1 Ų34.18%0.08417%0.174CC..  trans-49.5147.1-178.2-740000113.5Y204 Q205 N233 N237 Y261 S263Y204-S235 CarbonylContact C-O 2.96Å; Y204-S235 WeakPolarHBondContact CA-O 3.48Å; Y204-S235 WeakPolarHBondContact CB-O 3.39Å; Q205-S235 PolarHBondContact N-O 3.17Å; N233-S235 WeakPolarHBondContact OD1-CB 3.13Å; N233-S235 PolarHBondContact OD1-N 3.08Å; N233-S235 PolarHBondContact OD1-OG 3.34Å; S235-N237 PolarHBondContact O-ND2 3.45Å; S235-Y261 PolarHBondContact N-O 3.38Å; S235-S263 CarbonylContact C-O 3.35Å; S235-S263 WeakPolarHBondContact CA-O 3.32Å; S235-S263 WeakPolarHBondContact CB-OG 3.46Å; S235-S263 PolarHBondContact OG-N 3.41Å; S235-S263 PolarHBondContact OG-OG 3.37Å
236D98Very high98Very high71 Ų7132.1 Ų32.138%0.3816%0.161SC..SBendtrans57.548.9178.8-166.99.1000112.2Q205 S263 D264Q205-D236 WeakPolarHBondContact CA-O 3.35Å; Q205-D236 HydrophobicContact CB-CB 4.05Å; Q205-D236 WeakPolarHBondContact CB-OD2 3.37Å; Q205-D236 VanDerWaalsContact CD-OD2 3.23Å; Q205-D236 WeakPolarHBondContact CG-OD2 3.38Å; Q205-D236 PolarHBondContact N-O 3.5Å; Q205-D236 PolarHBondContact NE2-OD2 3.34Å; D236-S263 PolarHBondContact N-O 3.08Å; D236-D264 WeakPolarHBondContact CA-O 3.5Å; D236-D264 HydrophobicContact CB-CB 4.49Å
237N98.5Very high98Very high3 Ų332.2 Ų32.22%0.01616%0.161CC..SBendtrans-131.6153.1168.2-73.6-70.6000108.5L203 N206 G207 I208 L234 S235 L239 C265L203-N237 PolarHBondContact O-ND2 2.92Å; N206-N237 WeakPolarHBondContact CA-OD1 3.43Å; N206-N237 WeakPolarHBondContact CB-OD1 3.49Å; N206-N237 PolarHBondContact N-OD1 3.15Å; N206-N237 VanDerWaalsContact N-OD1 3.12Å; G207-N237 PolarHBondContact N-OD1 3.38Å; G207-N237 VanDerWaalsContact N-OD1 3.1Å; I208-N237 HydrophobicContact CB-CB 4.32Å; I208-N237 WeakPolarHBondContact CG1-OD1 3.45Å; I208-N237 PolarHBondContact N-OD1 2.75Å; I208-N237 WeakPolarHBondContact O-CB 3.41Å; L234-N237 WeakPolarHBondContact O-CB 3.43Å; L234-N237 PolarHBondContact O-ND2 3.16Å; S235-N237 PolarHBondContact O-ND2 3.45Å; N237-L239 VanDerWaalsContact C-N 3.32Å; N237-L239 HydrophobicContact CB-CD1 3.72Å; N237-L239 PolarHBondContact O-N 3.42Å; N237-C265 WeakPolarHBondContact O-CA 3.17Å
238S97.4Very high98.1Very high28 Ų2829.3 Ų29.320%0.19614%0.143CC..  trans-86.168.9-176-55.10000111.3I208 G209 T240I208-S238 PolarHBondContact O-N 3.02Å; G209-S238 CarbonylContact C-O 3.43Å; G209-S238 VanDerWaalsContact CA-O 3.29Å; G209-S238 WeakPolarHBondContact CA-O 3.31Å; S238-T240 VanDerWaalsContact C-N 3.3Å; S238-T240 PolarHBondContact O-N 2.77Å
239L98Very high98Very high1 Ų132.8 Ų32.81%0.00515%0.15CC..  trans-64-37.5-179.7-88.860.9000111.9I216 N237 G243 I247 L262 C265 L267I216-L239 HydrophobicContact CD1-CD1 3.58Å; I216-L239 HydrophobicContact CD1-CG 3.74Å; I216-L239 HydrophobicContact CG1-CG 4.33Å; I216-L239 HydrophobicContact CG2-CG 4.39Å; N237-L239 VanDerWaalsContact C-N 3.32Å; N237-L239 HydrophobicContact CB-CD1 3.72Å; N237-L239 PolarHBondContact O-N 3.42Å; L239-G243 WeakPolarHBondContact O-CA 3.41Å; L239-G243 PolarHBondContact O-N 3.12Å; L239-I247 HydrophobicContact CD2-CG1 4.04Å; L239-L262 HydrophobicContact CD2-CD2 3.89Å; L239-C265 HydrophobicContact CB-CB 4.15Å; L239-C265 HydrophobicContact CD1-CB 4.35Å; L239-C265 HydrophobicContact CD2-CB 4.32Å; L239-C265 PolarHBondContact N-O 3.13Å; L239-C265 VanDerWaalsContact N-O 3.13Å; L239-L267 HydrophobicContact CB-CD2 3.71Å; L239-L267 HydrophobicContact CD2-CD2 4.01Å
240T96.9Very high98Very high24 Ų2432.8 Ų32.815%0.14715%0.15CC..Hα-helixtrans64.3174.1-173.281.30000112.3S238 R242 G243 G244 C265 I266S238-T240 VanDerWaalsContact C-N 3.3Å; S238-T240 PolarHBondContact O-N 2.77Å; T240-R242 VanDerWaalsContact C-N 3.29Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 PolarHBondContact OG1-N 3.17Å; T240-G243 PolarHBondContact O-N 3.43Å; T240-G244 PolarHBondContact O-N 2.87Å; T240-C265 PolarHBondContact N-O 3.33Å; T240-C265 VanDerWaalsContact N-O 3.13Å; T240-I266 CarbonylContact C-O 3.52Å; T240-I266 WeakPolarHBondContact CA-O 3.21Å
241P96.8Very high97.9Very high22 Ų2227.9 Ų27.914%0.14313%0.131CC..Hα-helixtrans-55-42.6173.4-27.636.1000113.4G243 G244 E245 L267 R268 T270P241-G243 VanDerWaalsContact C-N 3.32Å; P241-G243 PolarHBondContact O-N 2.7Å; P241-G244 PolarHBondContact O-N 3.02Å; P241-G244 VanDerWaalsContact O-N 3.15Å; P241-E245 PolarHBondContact O-N 3.26Å; P241-L267 WeakPolarHBondContact CA-O 3.28Å; P241-L267 WeakPolarHBondContact CG-O 3.48Å; P241-R268 HydrophobicContact CG-CB 4.16Å; P241-R268 HydrophobicContact CG-CG 4.39Å; P241-T270 HydrophobicContact CB-CG2 4.14Å
242R96.7Very high97.8Very high145 Ų14530.3 Ų30.355%0.54715%0.148SC..Hα-helixtrans-63.7-36.9-179.4-66.1-176.2168.9-177.5-1.8112.2I213 T240 A246I213-R242 HydrophobicContact CD1-CB 3.67Å; T240-R242 VanDerWaalsContact C-N 3.29Å; T240-R242 PolarHBondContact O-N 2.97Å; T240-R242 PolarHBondContact OG1-N 3.17Å; R242-A246 WeakPolarHBondContact O-CB 3.46Å; R242-A246 PolarHBondContact O-N 3.31Å
243G97.7Very high97.7Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-69.7-38.5174.400000112.4L239 T240 P241 E245 A246 I247L239-G243 WeakPolarHBondContact O-CA 3.41Å; L239-G243 PolarHBondContact O-N 3.12Å; T240-G243 PolarHBondContact O-N 3.43Å; P241-G243 VanDerWaalsContact C-N 3.32Å; P241-G243 PolarHBondContact O-N 2.7Å; G243-E245 VanDerWaalsContact C-N 3.33Å; G243-E245 PolarHBondContact O-N 3.1Å; G243-A246 PolarHBondContact O-N 3.28Å; G243-A246 VanDerWaalsContact O-N 3.16Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 3.33Å
244G97.8Very high97.7Very high0 Ų030.6 Ų30.60%015%0.153CC..Hα-helixtrans-56-46.3171.600000112.7T240 P241 A246 I247 A248T240-G244 PolarHBondContact O-N 2.87Å; P241-G244 PolarHBondContact O-N 3.02Å; P241-G244 VanDerWaalsContact O-N 3.15Å; G244-A246 PolarHBondContact O-N 3.24Å; G244-I247 PolarHBondContact O-N 3.03Å; G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.22Å
245E97.4Very high97.6Very high63 Ų6333.8 Ų33.829%0.29417%0.172SC..Hα-helixtrans-62.2-41.2173.9-67.8176.3-158.700113.2P241 G243 A248 R249 A274P241-E245 PolarHBondContact O-N 3.26Å; G243-E245 VanDerWaalsContact C-N 3.33Å; G243-E245 PolarHBondContact O-N 3.1Å; E245-A248 PolarHBondContact O-N 2.74Å; E245-R249 WeakPolarHBondContact O-CG 3.35Å; E245-R249 PolarHBondContact O-N 3.49Å; E245-R249 IonicContact OE2-NH1 3.42Å; E245-R249 PolarHBondContact OE2-NH1 3.08Å; E245-A274 HydrophobicContact CB-CB 4.15Å; E245-A274 HydrophobicContact CG-CB 3.67Å
246A98.4Very high97.5Very high2 Ų236 Ų362%0.01718%0.183CC..Hα-helixtrans-64.8-41.5179.700000111.5L217 V220 R242 G243 G244 A250L217-A246 HydrophobicContact CD2-CB 4.35Å; V220-A246 HydrophobicContact CG2-CB 3.98Å; V220-A246 WeakPolarHBondContact CG2-O 3.25Å; R242-A246 WeakPolarHBondContact O-CB 3.46Å; R242-A246 PolarHBondContact O-N 3.31Å; G243-A246 PolarHBondContact O-N 3.28Å; G243-A246 VanDerWaalsContact O-N 3.16Å; G244-A246 PolarHBondContact O-N 3.24Å; A246-A250 PolarHBondContact O-N 3.05Å
247I98.5Very high97.6Very high1 Ų132.7 Ų32.71%0.00517%0.165CC..Hα-helixtrans-63.8-46.9172.6-64.9-64000110.4V220 I223 L234 L239 G243 G244 R249 A250 L251 L262 L275V220-I247 HydrophobicContact CG2-CD1 4.08Å; I223-I247 HydrophobicContact CD1-CD1 3.48Å; I223-I247 VanDerWaalsContact CD1-CD1 3.48Å; L234-I247 HydrophobicContact CD1-CD1 3.95Å; L239-I247 HydrophobicContact CD2-CG1 4.04Å; G243-I247 WeakPolarHBondContact O-CG1 3.46Å; G243-I247 PolarHBondContact O-N 3.33Å; G244-I247 PolarHBondContact O-N 3.03Å; I247-R249 VanDerWaalsContact C-N 3.29Å; I247-R249 PolarHBondContact O-N 3.13Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 WeakPolarHBondContact O-CB 3.41Å; I247-A250 PolarHBondContact O-N 3.47Å; I247-L251 HydrophobicContact CG2-CD2 4.39Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.18Å; I247-L251 VanDerWaalsContact O-N 3.09Å; I247-L262 HydrophobicContact CG2-CD1 4.34Å; I247-L275 HydrophobicContact CG2-CD2 4.27Å
248A97.9Very high97.6Very high5 Ų534.6 Ų34.64%0.04117%0.174CC..Hα-helixtrans-54.9-44.1178.200000112.3G244 E245 A250 L251 A274 L275 A278G244-A248 WeakPolarHBondContact O-CB 3.49Å; G244-A248 PolarHBondContact O-N 3.22Å; E245-A248 PolarHBondContact O-N 2.74Å; A248-A250 PolarHBondContact O-N 3.06Å; A248-L251 PolarHBondContact O-N 2.91Å; A248-A274 HydrophobicContact CB-CB 4.02Å; A248-A274 WeakPolarHBondContact CB-O 3.35Å; A248-L275 HydrophobicContact CB-CD2 4.02Å; A248-L275 HydrophobicContact CB-CG 4.49Å; A248-A278 HydrophobicContact CB-CB 4.12Å
249R96.5Very high97.6Very high153 Ų15334.5 Ų34.558%0.57717%0.17SC*.THydrogen-bonded Turntrans-66.4-17.9175.2-72-171.9-67.1-94.80.9114.1E245 I247E245-R249 WeakPolarHBondContact O-CG 3.35Å; E245-R249 PolarHBondContact O-N 3.49Å; E245-R249 IonicContact OE2-NH1 3.42Å; E245-R249 PolarHBondContact OE2-NH1 3.08Å; I247-R249 VanDerWaalsContact C-N 3.29Å; I247-R249 PolarHBondContact O-N 3.13Å
250A98.1Very high97.7Very high0 Ų034.4 Ų34.40%017%0.17CC..THydrogen-bonded Turntrans-93.4-21178.100000113V220 I223 K224 A246 I247 A248 P252 S253V220-A250 HydrophobicContact CG1-CB 3.94Å; V220-A250 HydrophobicContact CG2-CB 4.34Å; I223-A250 HydrophobicContact CB-CB 4.44Å; I223-A250 HydrophobicContact CG2-CB 3.9Å; K224-A250 HydrophobicContact CG-CB 4.33Å; A246-A250 PolarHBondContact O-N 3.05Å; I247-A250 WeakPolarHBondContact O-CA 3.46Å; I247-A250 WeakPolarHBondContact O-CB 3.41Å; I247-A250 PolarHBondContact O-N 3.47Å; A248-A250 PolarHBondContact O-N 3.06Å; A250-P252 VanDerWaalsContact C-N 3.32Å; A250-S253 PolarHBondContact O-N 2.89Å; A250-S253 PolarHBondContact O-OG 3.25Å
251L98.4Very high97.8Very high1 Ų134.8 Ų34.81%0.00517%0.169CC..G310 helixtrans-53.9-36.6-177.7-66.9177.2000114.9I247 A248 S253 V254 L257 L260 L275 A278 F279 T284 T285I247-L251 HydrophobicContact CG2-CD2 4.39Å; I247-L251 WeakPolarHBondContact O-CG 3.48Å; I247-L251 PolarHBondContact O-N 3.18Å; I247-L251 VanDerWaalsContact O-N 3.09Å; A248-L251 PolarHBondContact O-N 2.91Å; L251-S253 PolarHBondContact O-N 3.19Å; L251-S253 VanDerWaalsContact O-N 3.09Å; L251-V254 HydrophobicContact CD2-CG2 4.47Å; L251-V254 VanDerWaalsContact O-CG2 3.31Å; L251-V254 WeakPolarHBondContact O-CG2 3.37Å; L251-V254 PolarHBondContact O-N 2.83Å; L251-V254 VanDerWaalsContact O-N 3.08Å; L251-L257 HydrophobicContact CD2-CD2 3.97Å; L251-L260 HydrophobicContact CD2-CD2 4.11Å; L251-L275 HydrophobicContact CD1-CD2 3.93Å; L251-A278 HydrophobicContact CD1-CB 4.11Å; L251-F279 HydrophobicContact CD1-CD1 4.29Å; L251-F279 HydrophobicContact CD1-CE1 3.61Å; L251-F279 HydrophobicContact CD1-CZ 3.77Å; L251-T284 HydrophobicContact CB-CG2 3.63Å; L251-T285 HydrophobicContact CB-CG2 4.2Å; L251-T285 HydrophobicContact CD2-CG2 4.23Å
252P96.1Very high97.9Very high73 Ų7333.8 Ų33.847%0.47416%0.162SC..G310 helixtrans-61.1-19.1177-26.636.6000114.9A250A250-P252 VanDerWaalsContact C-N 3.32Å
253S97.4Very high97.9Very high39 Ų3927.7 Ų27.727%0.27314%0.142SC..G310 helixtrans-83.7-9.8177.566.80000114K224 A250 L251K224-S253 WeakPolarHBondContact CA-OG 3.24Å; A250-S253 PolarHBondContact O-N 2.89Å; A250-S253 PolarHBondContact O-OG 3.25Å; L251-S253 PolarHBondContact O-N 3.19Å; L251-S253 VanDerWaalsContact O-N 3.09Å
254V97.7Very high97.9Very high0 Ų030.1 Ų30.10%016%0.155CC..  trans-120.960.1-176.8-69.80000111I223 L229 L251 N256 L257 T285I223-V254 HydrophobicContact CG2-CG1 3.68Å; I223-V254 HydrophobicContact CG2-CG2 4.09Å; I223-V254 WeakPolarHBondContact O-CG1 3.37Å; L229-V254 HydrophobicContact CB-CG1 3.93Å; L229-V254 HydrophobicContact CD2-CG1 4.3Å; L251-V254 HydrophobicContact CD2-CG2 4.47Å; L251-V254 VanDerWaalsContact O-CG2 3.31Å; L251-V254 WeakPolarHBondContact O-CG2 3.37Å; L251-V254 PolarHBondContact O-N 2.83Å; L251-V254 VanDerWaalsContact O-N 3.08Å; V254-N256 PolarHBondContact O-N 2.83Å; V254-L257 HydrophobicContact CB-CB 4.31Å; V254-L257 HydrophobicContact CG2-CB 4.14Å; V254-L257 HydrophobicContact CG2-CD2 4.23Å; V254-L257 VanDerWaalsContact O-CB 3.26Å; V254-L257 WeakPolarHBondContact O-CB 3.12Å; V254-L257 PolarHBondContact O-N 3.33Å; V254-T285 HydrophobicContact CG2-CG2 4.37Å
255V96.3Very high97.9Very high67 Ų6730.1 Ų30.141%0.40616%0.155SC..THydrogen-bonded Turntrans-58-20.7-178.4-61.70000114.3P286V255-P286 WeakPolarHBondContact O-CD 3.34Å
256N97.5Very high97.9Very high59 Ų5929.9 Ų29.932%0.31616%0.155SC..THydrogen-bonded Turntrans-90.84.2178-61.9-49.9000113.7P227 L229 V254 E258P227-N256 PolarHBondContact O-ND2 3.5Å; P227-N256 VanDerWaalsContact O-ND2 3.15Å; L229-N256 CarbonylContact O-C 3.54Å; V254-N256 PolarHBondContact O-N 2.83Å; N256-E258 PolarHBondContact O-N 2.84Å
257L98.7Very high97.8Very high0 Ų029.8 Ų29.80%015%0.154CC..  trans-62.2124.4-179.7-16471000110.4L229 R230 L232 L251 V254 L260 T285 N287 L288L229-L257 HydrophobicContact CD2-CD1 4.37Å; L229-L257 HydrophobicContact CG-CD1 4.3Å; L229-L257 WeakPolarHBondContact O-CA 3.41Å; L229-L257 PolarHBondContact O-N 3.24Å; R230-L257 WeakPolarHBondContact O-CD1 3.16Å; L232-L257 HydrophobicContact CB-CD1 3.98Å; L251-L257 HydrophobicContact CD2-CD2 3.97Å; V254-L257 HydrophobicContact CB-CB 4.31Å; V254-L257 HydrophobicContact CG2-CB 4.14Å; V254-L257 HydrophobicContact CG2-CD2 4.23Å; V254-L257 VanDerWaalsContact O-CB 3.26Å; V254-L257 WeakPolarHBondContact O-CB 3.12Å; V254-L257 PolarHBondContact O-N 3.33Å; L257-L260 HydrophobicContact CD2-CB 4.09Å; L257-L260 HydrophobicContact CD2-CD1 4.39Å; L257-L260 HydrophobicContact CD2-CD2 4.44Å; L257-T285 HydrophobicContact CB-CG2 3.76Å; L257-T285 HydrophobicContact CD2-CG2 4.01Å; L257-N287 CarbonylContact O-C 3.25Å; L257-L288 PolarHBondContact O-N 3.37Å
258E98.7Very high97.6Very high44 Ų4433.2 Ų33.221%0.20617%0.167CC..  trans-108.2-34.4179.2-67.5172.8-17500110.9R230 N256 N287 R289 V290R230-E258 IonicContact CZ-OE1 2.68Å; R230-E258 IonicContact CZ-OE2 2.83Å; R230-E258 VanDerWaalsContact CZ-OE2 3.32Å; R230-E258 IonicContact NE-OE1 3.16Å; R230-E258 PolarHBondContact NE-OE1 2.94Å; R230-E258 IonicContact NE-OE2 2.73Å; R230-E258 PolarHBondContact NE-OE2 3.43Å; R230-E258 VanDerWaalsContact NH2-CD 3.28Å; R230-E258 IonicContact NH2-OE1 2.8Å; R230-E258 PolarHBondContact NH2-OE1 3.39Å; R230-E258 VanDerWaalsContact NH2-OE1 3.07Å; R230-E258 IonicContact NH2-OE2 3.84Å; R230-E258 PolarHBondContact NH2-OE2 3.14Å; R230-E258 WeakPolarHBondContact O-CA 3.33Å; R230-E258 PolarHBondContact O-N 3.34Å; N256-E258 PolarHBondContact O-N 2.84Å; E258-N287 HydrophobicContact CG-CB 4.22Å; E258-R289 WeakPolarHBondContact O-CA 3.49Å; E258-R289 WeakPolarHBondContact O-CB 3.41Å; E258-R289 PolarHBondContact O-N 3.48Å; E258-V290 PolarHBondContact O-N 3.11Å
259E98.8Very high97.4Very high25 Ų2533 Ų3312%0.11717%0.166CC..EExtended strand (participates in β ladder)trans-135.4122.3-173.9-52.1-176.3-176.500111.2R230 V231 L232 Y261 R289 V290R230-E259 PolarHBondContact O-N 3.43Å; V231-E259 WeakPolarHBondContact CA-O 3.38Å; V231-E259 HydrophobicContact CB-CB 4.46Å; V231-E259 HydrophobicContact CG1-CB 4.19Å; V231-E259 HydrophobicContact CG2-CB 4.16Å; V231-E259 HydrophobicContact CG2-CG 4.26Å; L232-E259 PolarHBondContact N-O 3.25Å; E259-Y261 HydrophobicContact CB-CD2 4.4Å; E259-Y261 HydrophobicContact CB-CE2 3.69Å; E259-Y261 PolarHBondContact OE2-OH 3Å; E259-R289 IonicContact OE1-CZ 2.69Å; E259-R289 IonicContact OE1-NH2 3.05Å; E259-R289 PolarHBondContact OE1-NH2 3.49Å; E259-V290 WeakPolarHBondContact CA-O 3.45Å; E259-V290 HydrophobicContact CB-CB 4.05Å; E259-V290 HydrophobicContact CG-CB 3.97Å; E259-V290 HydrophobicContact CG-CG2 3.95Å
260L98.8Very high97.1Very high0 Ų026.7 Ų26.70%014%0.144CC..EExtended strand (participates in β ladder)trans-123.6112.8178-178.657.6000110.2L232 L251 L257 L262 F279 L288 V290 L291 N292L232-L260 HydrophobicContact CB-CD1 4.09Å; L232-L260 HydrophobicContact CD2-CD1 3.83Å; L232-L260 HydrophobicContact CG-CD1 4.09Å; L251-L260 HydrophobicContact CD2-CD2 4.11Å; L257-L260 HydrophobicContact CD2-CB 4.09Å; L257-L260 HydrophobicContact CD2-CD1 4.39Å; L257-L260 HydrophobicContact CD2-CD2 4.44Å; L260-L262 HydrophobicContact CD1-CD1 4.11Å; L260-L262 HydrophobicContact CD1-CD2 3.98Å; L260-L262 HydrophobicContact CD1-CG 3.85Å; L260-L262 HydrophobicContact CD2-CD1 4.02Å; L260-L262 HydrophobicContact CG-CD1 4.05Å; L260-L262 HydrophobicContact CG-CG 3.98Å; L260-F279 HydrophobicContact CD2-CZ 4.08Å; L260-L288 HydrophobicContact CB-CD1 4.08Å; L260-V290 PolarHBondContact N-O 3.02Å; L260-L291 HydrophobicContact CB-CD1 4.14Å; L260-L291 HydrophobicContact CD2-CD1 3.94Å; L260-L291 HydrophobicContact CG-CD1 4.11Å; L260-L291 WeakPolarHBondContact O-CA 3.39Å; L260-N292 PolarHBondContact O-N 2.66Å
261Y98.8Very high96.9Very high32 Ų3226.7 Ų26.713%0.12514%0.144CC..EExtended strand (participates in β ladder)trans-111111.2176.6-56.5-93.5000110.2V231 L232 N233 L234 S235 E259 V290 N292V231-Y261 HydrophobicContact CG1-CE2 4.33Å; L232-Y261 PolarHBondContact O-N 3.3Å; N233-Y261 HydrophobicContact CB-CD2 3.99Å; N233-Y261 HydrophobicContact CB-CG 4.32Å; L234-Y261 PolarHBondContact N-O 2.82Å; S235-Y261 PolarHBondContact N-O 3.38Å; E259-Y261 HydrophobicContact CB-CD2 4.4Å; E259-Y261 HydrophobicContact CB-CE2 3.69Å; E259-Y261 PolarHBondContact OE2-OH 3Å; Y261-V290 HydrophobicContact CE1-CG1 3.79Å; Y261-N292 HydrophobicContact CD1-CB 3.64Å; Y261-N292 HydrophobicContact CE1-CB 4.28Å; Y261-N292 HydrophobicContact CG-CB 4.42Å
262L98.7Very high96.8Very high0 Ų026.7 Ų26.70%014%0.144CC..  trans-12837.2176.2-54.4173.1000109.7L234 L239 I247 L260 C265 L267 L275 N292 L293 N296L234-L262 HydrophobicContact CB-CD2 4.02Å; L234-L262 HydrophobicContact CD1-CD2 4.22Å; L234-L262 HydrophobicContact CG-CD2 4.45Å; L239-L262 HydrophobicContact CD2-CD2 3.89Å; I247-L262 HydrophobicContact CG2-CD1 4.34Å; L260-L262 HydrophobicContact CD1-CD1 4.11Å; L260-L262 HydrophobicContact CD1-CD2 3.98Å; L260-L262 HydrophobicContact CD1-CG 3.85Å; L260-L262 HydrophobicContact CD2-CD1 4.02Å; L260-L262 HydrophobicContact CG-CD1 4.05Å; L260-L262 HydrophobicContact CG-CG 3.98Å; L262-C265 HydrophobicContact CB-CB 4.46Å; L262-C265 WeakPolarHBondContact O-CB 3.46Å; L262-C265 PolarHBondContact O-SG 3.37Å; L262-C265 VanDerWaalsContact O-SG 3.41Å; L262-L267 HydrophobicContact CB-CD1 4.06Å; L262-L267 HydrophobicContact CD1-CD1 4.12Å; L262-L275 HydrophobicContact CD1-CD1 3.87Å; L262-L275 HydrophobicContact CD1-CD2 4.4Å; L262-N292 CarbonylContact C-O 3.44Å; L262-N292 PolarHBondContact N-O 2.86Å; L262-L293 HydrophobicContact CB-CD2 3.94Å; L262-L293 HydrophobicContact CD1-CD2 4.21Å; L262-N296 PolarHBondContact O-ND2 3.02Å; L262-N296 PolarHBondContact O-OD1 3.01Å
263S97.9Very high96.5Very high17 Ų1724.8 Ų24.812%0.11913%0.128CC..THydrogen-bonded Turntrans-68148178.273.20000110.8S235 D236 C265 N292 T294S235-S263 CarbonylContact C-O 3.35Å; S235-S263 WeakPolarHBondContact CA-O 3.32Å; S235-S263 WeakPolarHBondContact CB-OG 3.46Å; S235-S263 PolarHBondContact OG-N 3.41Å; S235-S263 PolarHBondContact OG-OG 3.37Å; D236-S263 PolarHBondContact N-O 3.08Å; S263-C265 PolarHBondContact O-N 2.88Å; S263-C265 PolarHBondContact O-SG 3.41Å; S263-N292 WeakPolarHBondContact CB-OD1 3.43Å; S263-N292 PolarHBondContact N-O 3.27Å; S263-T294 CarbonylContact C-O 3.53Å; S263-T294 WeakPolarHBondContact CA-O 3.38Å; S263-T294 WeakPolarHBondContact CB-O 3.45Å
264D97.1Very high96.2Very high52 Ų5223.9 Ų23.928%0.27812%0.123SC..THydrogen-bonded Turntrans52.143.4177.1-55.4-59.4000112.6D236 T294 G295D236-D264 WeakPolarHBondContact CA-O 3.5Å; D236-D264 HydrophobicContact CB-CB 4.49Å; D264-T294 PolarHBondContact N-O 2.68Å; D264-G295 WeakPolarHBondContact CA-O 3.21Å; D264-G295 WeakPolarHBondContact OD1-CA 3.39Å
265C98.2Very high96.2Very high0 Ų023.9 Ų23.90%012%0.123CC..  trans-105.31.3-175.2-75.70000114.6L234 N237 L239 T240 L262 S263 L267 N296L234-C265 PolarHBondContact O-SG 3.38Å; L234-C265 VanDerWaalsContact O-SG 3.42Å; N237-C265 WeakPolarHBondContact O-CA 3.17Å; L239-C265 HydrophobicContact CB-CB 4.15Å; L239-C265 HydrophobicContact CD1-CB 4.35Å; L239-C265 HydrophobicContact CD2-CB 4.32Å; L239-C265 PolarHBondContact N-O 3.13Å; L239-C265 VanDerWaalsContact N-O 3.13Å; T240-C265 PolarHBondContact N-O 3.33Å; T240-C265 VanDerWaalsContact N-O 3.13Å; L262-C265 HydrophobicContact CB-CB 4.46Å; L262-C265 WeakPolarHBondContact O-CB 3.46Å; L262-C265 PolarHBondContact O-SG 3.37Å; L262-C265 VanDerWaalsContact O-SG 3.41Å; S263-C265 PolarHBondContact O-N 2.88Å; S263-C265 PolarHBondContact O-SG 3.41Å; C265-L267 HydrophobicContact CB-CD1 4.49Å; C265-L267 HydrophobicContact CB-CD2 4.03Å; C265-L267 HydrophobicContact CB-CG 3.87Å; C265-L267 PolarHBondContact O-N 2.92Å; C265-N296 WeakPolarHBondContact CA-OD1 3.48Å; C265-N296 WeakPolarHBondContact CB-OD1 3.31Å; C265-N296 PolarHBondContact N-OD1 3.25Å
266I96.6Very high95.9Very high57 Ų5720.7 Ų20.729%0.29210%0.104SC..  trans53.137.8-177.4-39.1175.6000110.9T240 R268 N296T240-I266 CarbonylContact C-O 3.52Å; T240-I266 WeakPolarHBondContact CA-O 3.21Å; I266-R268 HydrophobicContact CG2-CG 4.37Å; I266-R268 PolarHBondContact O-N 2.91Å; I266-N296 PolarHBondContact N-OD1 3.06Å
267L97.2Very high95.4Very high0 Ų021.2 Ų21.20%011%0.112CC..  trans-66-29.7-178-63.1-179.5000112.3L239 P241 L262 C265 G271 V272 L275 L293 N296L239-L267 HydrophobicContact CB-CD2 3.71Å; L239-L267 HydrophobicContact CD2-CD2 4.01Å; P241-L267 WeakPolarHBondContact CA-O 3.28Å; P241-L267 WeakPolarHBondContact CG-O 3.48Å; L262-L267 HydrophobicContact CB-CD1 4.06Å; L262-L267 HydrophobicContact CD1-CD1 4.12Å; C265-L267 HydrophobicContact CB-CD1 4.49Å; C265-L267 HydrophobicContact CB-CD2 4.03Å; C265-L267 HydrophobicContact CB-CG 3.87Å; C265-L267 PolarHBondContact O-N 2.92Å; L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.39Å; L267-V272 HydrophobicContact CB-CG2 3.97Å; L267-V272 HydrophobicContact CD1-CG2 4.18Å; L267-L275 HydrophobicContact CD1-CD1 3.92Å; L267-L293 HydrophobicContact CD1-CD2 3.99Å; L267-N296 HydrophobicContact CB-CB 4.3Å; L267-N296 VanDerWaalsContact CG-OD1 3.28Å; L267-N296 WeakPolarHBondContact CG-OD1 3.27Å; L267-N296 PolarHBondContact N-OD1 3.11Å
268R95.3Very high95Very high73 Ų7321.9 Ų21.928%0.27512%0.118SC..Hα-helixtrans53.3-172.9-172.5-56.2-179.7170.3157.68.1111.8P241 I266 T270 V272 N296 E297P241-R268 HydrophobicContact CG-CB 4.16Å; P241-R268 HydrophobicContact CG-CG 4.39Å; I266-R268 HydrophobicContact CG2-CG 4.37Å; I266-R268 PolarHBondContact O-N 2.91Å; R268-T270 VanDerWaalsContact C-N 3.34Å; R268-T270 PolarHBondContact O-N 3.46Å; R268-V272 WeakPolarHBondContact O-CG2 3.41Å; R268-V272 PolarHBondContact O-N 3.47Å; R268-N296 WeakPolarHBondContact CA-O 3.28Å; R268-N296 PolarHBondContact N-O 3.5Å; R268-E297 HydrophobicContact CG-CB 4.12Å; R268-E297 WeakPolarHBondContact CG-OE2 3.4Å; R268-E297 IonicContact CZ-OE2 3.31Å; R268-E297 IonicContact NE-OE2 3.2Å; R268-E297 PolarHBondContact NE-OE2 2.88Å; R268-E297 IonicContact NH2-OE2 3.71Å
269S92.1Very high94.8Very high2 Ų219.8 Ų19.81%0.01411%0.108CC..Hα-helixtrans-60.3-41.5179.9-64.70000112.7V272 K273 K299S269-V272 PolarHBondContact O-N 3.27Å; S269-K273 VanDerWaalsContact O-CG 3.28Å; S269-K273 WeakPolarHBondContact O-CG 3.46Å; S269-K273 PolarHBondContact O-N 3.46Å; S269-K299 WeakPolarHBondContact OG-CB 3.48Å; S269-K299 PolarHBondContact OG-N 2.76Å; S269-K299 VanDerWaalsContact OG-N 3.13Å
270T89.8Confident94Very high20 Ų2019.7 Ų19.712%0.12311%0.107CC..Hα-helixtrans-67.2-45.8-177.6-67.90000113.3P241 R268 V272 K273 A274 E383P241-T270 HydrophobicContact CB-CG2 4.14Å; R268-T270 VanDerWaalsContact C-N 3.34Å; R268-T270 PolarHBondContact O-N 3.46Å; T270-V272 VanDerWaalsContact C-N 3.3Å; T270-V272 PolarHBondContact O-N 3.09Å; T270-K273 PolarHBondContact O-N 3.05Å; T270-A274 PolarHBondContact O-N 3.43Å; T270-A274 VanDerWaalsContact O-N 3.16Å; T270-E383 PolarHBondContact OG1-OE1 3.01Å; T270-E383 PolarHBondContact OG1-OE2 2.62Å
271G95.1Very high93.1Very high0 Ų023.1 Ų23.10%013%0.126CC..Hα-helixtrans-63.1-36.6176.300000112.6L267 A274 L275L267-G271 WeakPolarHBondContact O-CA 3.49Å; L267-G271 PolarHBondContact O-N 3.39Å; G271-A274 WeakPolarHBondContact O-CB 3.45Å; G271-A274 PolarHBondContact O-N 3.34Å; G271-L275 PolarHBondContact O-N 2.87Å
272V96.5Very high92.4Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-74.8-34.1178.6172.50000113.1L267 R268 S269 T270 A274 L275 A276 L293 I298 L306L267-V272 HydrophobicContact CB-CG2 3.97Å; L267-V272 HydrophobicContact CD1-CG2 4.18Å; R268-V272 WeakPolarHBondContact O-CG2 3.41Å; R268-V272 PolarHBondContact O-N 3.47Å; S269-V272 PolarHBondContact O-N 3.27Å; T270-V272 VanDerWaalsContact C-N 3.3Å; T270-V272 PolarHBondContact O-N 3.09Å; V272-A274 VanDerWaalsContact C-N 3.28Å; V272-A274 PolarHBondContact O-N 2.96Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 3.32Å; V272-A276 WeakPolarHBondContact O-CB 3.34Å; V272-A276 PolarHBondContact O-N 3.3Å; V272-L293 HydrophobicContact CG1-CD1 4.32Å; V272-L293 HydrophobicContact CG2-CD1 4.38Å; V272-I298 HydrophobicContact CB-CD1 4.41Å; V272-I298 HydrophobicContact CB-CG1 4.38Å; V272-I298 HydrophobicContact CG1-CD1 4.23Å; V272-I298 HydrophobicContact CG1-CG2 4.32Å; V272-I298 HydrophobicContact CG2-CD1 3.65Å; V272-I298 HydrophobicContact CG2-CG1 3.72Å; V272-L306 HydrophobicContact CG1-CB 4.07Å; V272-L306 HydrophobicContact CG1-CD1 4.31Å; V272-L306 HydrophobicContact CG1-CD2 3.94Å; V272-L306 HydrophobicContact CG1-CG 4.33Å
273K89.3Confident91.9Very high33 Ų3330 Ų3014%0.14317%0.167CC..Hα-helixtrans-62.7-36170.6-75.6171.2-174.9169.30112.3S269 T270 A276 S277 A302 E650S269-K273 VanDerWaalsContact O-CG 3.28Å; S269-K273 WeakPolarHBondContact O-CG 3.46Å; S269-K273 PolarHBondContact O-N 3.46Å; T270-K273 PolarHBondContact O-N 3.05Å; K273-A276 WeakPolarHBondContact O-CB 3.47Å; K273-A276 PolarHBondContact O-N 3.02Å; K273-S277 WeakPolarHBondContact O-CB 3.41Å; K273-S277 PolarHBondContact O-N 3.4Å; K273-S277 PolarHBondContact O-OG 2.9Å; K273-A302 HydrophobicContact CG-CB 4.17Å; K273-E650 WeakPolarHBondContact CD-OE1 3.17Å; K273-E650 IonicContact NZ-OE1 2.84Å; K273-E650 PolarHBondContact NZ-OE1 2.92Å
274A91.8Very high91.7Very high21 Ų2129.4 Ų29.417%0.17416%0.164CC..Hα-helixtrans-64.2-43174.400000111.3E245 A248 T270 G271 V272 S277 A278E245-A274 HydrophobicContact CB-CB 4.15Å; E245-A274 HydrophobicContact CG-CB 3.67Å; A248-A274 HydrophobicContact CB-CB 4.02Å; A248-A274 WeakPolarHBondContact CB-O 3.35Å; T270-A274 PolarHBondContact O-N 3.43Å; T270-A274 VanDerWaalsContact O-N 3.16Å; G271-A274 WeakPolarHBondContact O-CB 3.45Å; G271-A274 PolarHBondContact O-N 3.34Å; V272-A274 VanDerWaalsContact C-N 3.28Å; V272-A274 PolarHBondContact O-N 2.96Å; A274-S277 PolarHBondContact O-N 3.26Å; A274-A278 PolarHBondContact O-N 3.09Å
275L97.2Very high91.6Very high0 Ų027 Ų270%015%0.15CC..Hα-helixtrans-60.6-45.5172-68.8171.9000111.7I247 A248 L251 L262 L267 G271 V272 S277 A278 F279 L293I247-L275 HydrophobicContact CG2-CD2 4.27Å; A248-L275 HydrophobicContact CB-CD2 4.02Å; A248-L275 HydrophobicContact CB-CG 4.49Å; L251-L275 HydrophobicContact CD1-CD2 3.93Å; L262-L275 HydrophobicContact CD1-CD1 3.87Å; L262-L275 HydrophobicContact CD1-CD2 4.4Å; L267-L275 HydrophobicContact CD1-CD1 3.92Å; G271-L275 PolarHBondContact O-N 2.87Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 3.32Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 3.32Å; L275-A278 WeakPolarHBondContact O-CB 3.49Å; L275-A278 PolarHBondContact O-N 3.06Å; L275-A278 VanDerWaalsContact O-N 3.09Å; L275-F279 HydrophobicContact CB-CD2 4.35Å; L275-F279 HydrophobicContact CB-CE2 4.02Å; L275-F279 WeakPolarHBondContact O-CD2 3.46Å; L275-F279 WeakPolarHBondContact O-CG 3.1Å; L275-F279 PolarHBondContact O-N 3.37Å; L275-L293 HydrophobicContact CD1-CD2 4.02Å
276A90.3Very high91.4Very high0 Ų029.1 Ų29.10%017%0.165CC..Hα-helixtrans-56.8-47.4176.600000111.3V272 K273 A278 F279 E280 N305 L306 S309V272-A276 WeakPolarHBondContact O-CB 3.34Å; V272-A276 PolarHBondContact O-N 3.3Å; K273-A276 WeakPolarHBondContact O-CB 3.47Å; K273-A276 PolarHBondContact O-N 3.02Å; A276-A278 PolarHBondContact O-N 2.98Å; A276-F279 PolarHBondContact O-N 3.43Å; A276-F279 VanDerWaalsContact O-N 3.11Å; A276-E280 WeakPolarHBondContact O-CG 3.1Å; A276-E280 PolarHBondContact O-N 2.84Å; A276-N305 WeakPolarHBondContact CB-OD1 3.41Å; A276-L306 HydrophobicContact CB-CB 4.34Å; A276-L306 HydrophobicContact CB-CD1 4.2Å; A276-S309 VanDerWaalsContact O-CB 3.25Å; A276-S309 WeakPolarHBondContact O-CB 3.31Å; A276-S309 PolarHBondContact O-OG 3.31Å
277S86.7Confident91.4Very high69 Ų6929.4 Ų29.448%0.48317%0.166SC..Hα-helixtrans-61.8-29176.4-54.40000113.2K273 A274 L275 E280K273-S277 WeakPolarHBondContact O-CB 3.41Å; K273-S277 PolarHBondContact O-N 3.4Å; K273-S277 PolarHBondContact O-OG 2.9Å; A274-S277 PolarHBondContact O-N 3.26Å; L275-S277 VanDerWaalsContact C-N 3.33Å; L275-S277 PolarHBondContact O-N 3.32Å; S277-E280 WeakPolarHBondContact O-CB 3.47Å
278A90.6Very high91.5Very high15 Ų1529.4 Ų29.412%0.12417%0.166CC..Hα-helixtrans-77.2-41.317300000111.8A248 L251 A274 L275 A276 E280 D281 T284A248-A278 HydrophobicContact CB-CB 4.12Å; L251-A278 HydrophobicContact CD1-CB 4.11Å; A274-A278 PolarHBondContact O-N 3.09Å; L275-A278 WeakPolarHBondContact O-CB 3.49Å; L275-A278 PolarHBondContact O-N 3.06Å; L275-A278 VanDerWaalsContact O-N 3.09Å; A276-A278 PolarHBondContact O-N 2.98Å; A278-E280 VanDerWaalsContact C-N 3.26Å; A278-E280 PolarHBondContact O-N 3.09Å; A278-D281 PolarHBondContact O-N 3.21Å; A278-T284 WeakPolarHBondContact O-CB 3.48Å; A278-T284 PolarHBondContact O-OG1 3.33Å
279F93.5Very high91.6Very high0 Ų029.5 Ų29.50%017%0.167CC..Hα-helixtrans-71.6-21.3-179.9-67.8-44.4000114.2L251 L260 L275 A276 D281 L288 L291 L306 L310 N312 K313L251-F279 HydrophobicContact CD1-CD1 4.29Å; L251-F279 HydrophobicContact CD1-CE1 3.61Å; L251-F279 HydrophobicContact CD1-CZ 3.77Å; L260-F279 HydrophobicContact CD2-CZ 4.08Å; L275-F279 HydrophobicContact CB-CD2 4.35Å; L275-F279 HydrophobicContact CB-CE2 4.02Å; L275-F279 WeakPolarHBondContact O-CD2 3.46Å; L275-F279 WeakPolarHBondContact O-CG 3.1Å; L275-F279 PolarHBondContact O-N 3.37Å; A276-F279 PolarHBondContact O-N 3.43Å; A276-F279 VanDerWaalsContact O-N 3.11Å; F279-D281 PolarHBondContact O-N 3.21Å; F279-L288 HydrophobicContact CD1-CD2 4.29Å; F279-L288 HydrophobicContact CE1-CD2 3.66Å; F279-L288 HydrophobicContact CZ-CD2 3.84Å; F279-L291 HydrophobicContact CD2-CD2 4.43Å; F279-L291 HydrophobicContact CE2-CD1 4.37Å; F279-L291 HydrophobicContact CE2-CD2 3.73Å; F279-L291 HydrophobicContact CZ-CD1 4.35Å; F279-L291 HydrophobicContact CZ-CD2 4.28Å; F279-L306 HydrophobicContact CD2-CD1 4.18Å; F279-L310 HydrophobicContact CB-CD2 4.06Å; F279-L310 HydrophobicContact CD2-CD2 3.78Å; F279-L310 HydrophobicContact CE2-CD2 4.37Å; F279-L310 HydrophobicContact CG-CD2 3.91Å; F279-N312 PolarHBondContact O-ND2 3.14Å; F279-N312 PolarHBondContact O-OD1 3.1Å; F279-K313 VanDerWaalsContact O-CE 3.24Å; F279-K313 WeakPolarHBondContact O-CE 3.39Å; F279-K313 PolarHBondContact O-NZ 3.08Å
280E81.8Confident91.9Very high22 Ų2229.8 Ų29.810%0.10317%0.169CC..THydrogen-bonded Turntrans-47-40.5168-94.2-176.8-173.100112.4A276 S277 A278 P282 N312 Y631 C635A276-E280 WeakPolarHBondContact O-CG 3.1Å; A276-E280 PolarHBondContact O-N 2.84Å; S277-E280 WeakPolarHBondContact O-CB 3.47Å; A278-E280 VanDerWaalsContact C-N 3.26Å; A278-E280 PolarHBondContact O-N 3.09Å; E280-P282 WeakPolarHBondContact O-CD 3.21Å; E280-N312 PolarHBondContact O-ND2 2.87Å; E280-Y631 VanDerWaalsContact C-CD2 3.4Å; E280-Y631 HydrophobicContact CB-CD2 3.58Å; E280-Y631 HydrophobicContact CB-CE2 3.47Å; E280-Y631 VanDerWaalsContact CB-CE2 3.47Å; E280-Y631 HydrophobicContact CG-CD2 3.97Å; E280-Y631 HydrophobicContact CG-CE2 3.88Å; E280-Y631 VanDerWaalsContact O-CB 3.26Å; E280-Y631 WeakPolarHBondContact O-CB 3.31Å; E280-Y631 WeakPolarHBondContact O-CD2 3.35Å; E280-C635 PolarHBondContact OE1-SG 2.91Å; E280-C635 PolarHBondContact OE2-SG 3.24Å; E280-C635 VanDerWaalsContact OE2-SG 3.34Å
281D80.8Confident92.4Very high72 Ų7228.9 Ų28.939%0.38516%0.163SC..SBendtrans-71.9119.7172.1-173.3-12.4000110.7A278 F279 D283 T284 K313A278-D281 PolarHBondContact O-N 3.21Å; F279-D281 PolarHBondContact O-N 3.21Å; D281-D283 PolarHBondContact O-N 3.11Å; D281-D283 WeakPolarHBondContact OD1-CB 3.38Å; D281-D283 PolarHBondContact OD1-N 3.44Å; D281-T284 PolarHBondContact O-N 2.91Å; D281-K313 PolarHBondContact O-NZ 3.39Å
282P84.1Confident92.5Very high55 Ų5529.3 Ų29.336%0.35717%0.165SC..THydrogen-bonded Turntrans-61.1-26.917726.1-35.2000113.4E280 T284 N312E280-P282 WeakPolarHBondContact O-CD 3.21Å; P282-T284 VanDerWaalsContact C-N 3.35Å; P282-N312 HydrophobicContact CB-CB 4.39Å
283D88.4Confident92.6Very high121 Ų12129.3 Ų29.365%0.64717%0.165SC*.THydrogen-bonded Turntrans-82.6-12.6-179.1-66.4-27.7000112.7D281 T285 P286D281-D283 PolarHBondContact O-N 3.11Å; D281-D283 WeakPolarHBondContact OD1-CB 3.38Å; D281-D283 PolarHBondContact OD1-N 3.44Å; D283-T285 PolarHBondContact O-N 3.09Å; D283-P286 WeakPolarHBondContact O-CD 3.38Å
284T92.8Very high92.9Very high6 Ų628.1 Ų28.14%0.03716%0.161CC..SBendtrans-76.5115.5171.1-65.50000109.6L251 A278 D281 P282 K313L251-T284 HydrophobicContact CB-CG2 3.63Å; A278-T284 WeakPolarHBondContact O-CB 3.48Å; A278-T284 PolarHBondContact O-OG1 3.33Å; D281-T284 PolarHBondContact O-N 2.91Å; P282-T284 VanDerWaalsContact C-N 3.35Å; T284-K313 PolarHBondContact O-NZ 3.09Å
285T96.5Very high93.1Very high0 Ų027.9 Ų27.90%016%0.16CC..SBendtrans45.757.3178.966.70000113.7L251 V254 L257 D283 N287 L288L251-T285 HydrophobicContact CB-CG2 4.2Å; L251-T285 HydrophobicContact CD2-CG2 4.23Å; V254-T285 HydrophobicContact CG2-CG2 4.37Å; L257-T285 HydrophobicContact CB-CG2 3.76Å; L257-T285 HydrophobicContact CD2-CG2 4.01Å; D283-T285 PolarHBondContact O-N 3.09Å; T285-N287 PolarHBondContact O-N 3.01Å; T285-N287 VanDerWaalsContact O-N 3.16Å; T285-L288 VanDerWaalsContact O-CB 3.29Å; T285-L288 WeakPolarHBondContact O-CB 3.32Å; T285-L288 PolarHBondContact O-N 2.91Å; T285-L288 VanDerWaalsContact O-N 3.1Å
286P94Very high93.1Very high46 Ų4627.9 Ų27.930%0.29916%0.16SC..THydrogen-bonded Turntrans-61.8-25-174.124.5-36.9000113.7V255 D283 L288 H315V255-P286 WeakPolarHBondContact O-CD 3.34Å; D283-P286 WeakPolarHBondContact O-CD 3.38Å; P286-L288 VanDerWaalsContact C-N 3.31Å; P286-H315 PolarHBondContact O-CD2 2.68Å
287N96.4Very high93.2Very high62 Ų6231.4 Ų31.433%0.33218%0.176SC..THydrogen-bonded Turntrans-89.88.6-179.8-58.9-49.8000113.4L257 E258 T285 R289L257-N287 CarbonylContact O-C 3.25Å; E258-N287 HydrophobicContact CG-CB 4.22Å; T285-N287 PolarHBondContact O-N 3.01Å; T285-N287 VanDerWaalsContact O-N 3.16Å; N287-R289 PolarHBondContact O-N 3.09Å; N287-R289 VanDerWaalsContact O-N 3.09Å
288L98.4Very high93.5Very high0 Ų028.1 Ų28.10%015%0.153CC..  trans-58.7118.1-178.3-171.271.2000110.4L257 L260 F279 T285 P286 V290 L291 H315 L316L257-L288 PolarHBondContact O-N 3.37Å; L260-L288 HydrophobicContact CB-CD1 4.08Å; F279-L288 HydrophobicContact CD1-CD2 4.29Å; F279-L288 HydrophobicContact CE1-CD2 3.66Å; F279-L288 HydrophobicContact CZ-CD2 3.84Å; T285-L288 VanDerWaalsContact O-CB 3.29Å; T285-L288 WeakPolarHBondContact O-CB 3.32Å; T285-L288 PolarHBondContact O-N 2.91Å; T285-L288 VanDerWaalsContact O-N 3.1Å; P286-L288 VanDerWaalsContact C-N 3.31Å; L288-V290 WeakPolarHBondContact CD1-O 3.44Å; L288-L291 HydrophobicContact CD2-CB 4.31Å; L288-H315 CarbonylContact O-C 3.52Å; L288-L316 HydrophobicContact CD2-CD1 4.45Å; L288-L316 HydrophobicContact CG-CD1 4.3Å; L288-L316 WeakPolarHBondContact O-CA 3.27Å; L288-L316 PolarHBondContact O-N 3.42Å
289R98.1Very high93.5Very high76 Ų7628.4 Ų28.429%0.28715%0.152SC..  trans-113-34.7-174.2-170173.273.1100.6-2.6111.8E258 E259 N287 H315 E317 L318E258-R289 WeakPolarHBondContact O-CA 3.49Å; E258-R289 WeakPolarHBondContact O-CB 3.41Å; E258-R289 PolarHBondContact O-N 3.48Å; E259-R289 IonicContact OE1-CZ 2.69Å; E259-R289 IonicContact OE1-NH2 3.05Å; E259-R289 PolarHBondContact OE1-NH2 3.49Å; N287-R289 PolarHBondContact O-N 3.09Å; N287-R289 VanDerWaalsContact O-N 3.09Å; R289-H315 WeakPolarHBondContact CA-O 3.36Å; R289-E317 WeakPolarHBondContact CD-OE1 3.07Å; R289-E317 WeakPolarHBondContact CD-OE2 3.16Å; R289-E317 HydrophobicContact CG-CB 3.77Å; R289-E317 HydrophobicContact CG-CG 3.63Å; R289-E317 VanDerWaalsContact CG-OE2 3.24Å; R289-E317 WeakPolarHBondContact CG-OE2 3.4Å; R289-E317 IonicContact CZ-OE2 3.08Å; R289-E317 IonicContact NE-OE2 2.66Å; R289-E317 IonicContact NH1-OE2 2.67Å; R289-E317 PolarHBondContact NH1-OE2 3.23Å; R289-E317 PolarHBondContact O-N 3.16Å; R289-L318 PolarHBondContact O-N 3.05Å
290V98.6Very high93.1Very high8 Ų829.1 Ų29.15%0.04816%0.156CC..EExtended strand (participates in β ladder)trans-127125.7177.5-1790000110.1E258 E259 L260 Y261 L288 L318E258-V290 PolarHBondContact O-N 3.11Å; E259-V290 WeakPolarHBondContact CA-O 3.45Å; E259-V290 HydrophobicContact CB-CB 4.05Å; E259-V290 HydrophobicContact CG-CB 3.97Å; E259-V290 HydrophobicContact CG-CG2 3.95Å; L260-V290 PolarHBondContact N-O 3.02Å; Y261-V290 HydrophobicContact CE1-CG1 3.79Å; L288-V290 WeakPolarHBondContact CD1-O 3.44Å; V290-L318 WeakPolarHBondContact CA-O 3.5Å; V290-L318 HydrophobicContact CB-CB 4.46Å; V290-L318 HydrophobicContact CG1-CB 4.19Å; V290-L318 HydrophobicContact CG1-CD2 3.9Å; V290-L318 HydrophobicContact CG1-CG 4.27Å; V290-L318 HydrophobicContact CG2-CB 4.15Å
291L98.7Very high93.1Very high0 Ų028.8 Ų28.80%016%0.156CC..EExtended strand (participates in β ladder)trans-126.6112.6167.4179.258.5000109.2L260 F279 L288 L293 L306 L310 L316 L318 L319 D320L260-L291 HydrophobicContact CB-CD1 4.14Å; L260-L291 HydrophobicContact CD2-CD1 3.94Å; L260-L291 HydrophobicContact CG-CD1 4.11Å; L260-L291 WeakPolarHBondContact O-CA 3.39Å; F279-L291 HydrophobicContact CD2-CD2 4.43Å; F279-L291 HydrophobicContact CE2-CD1 4.37Å; F279-L291 HydrophobicContact CE2-CD2 3.73Å; F279-L291 HydrophobicContact CZ-CD1 4.35Å; F279-L291 HydrophobicContact CZ-CD2 4.28Å; L288-L291 HydrophobicContact CD2-CB 4.31Å; L291-L293 HydrophobicContact CD1-CD1 4.34Å; L291-L293 HydrophobicContact CD1-CD2 4.04Å; L291-L293 HydrophobicContact CD1-CG 3.98Å; L291-L293 HydrophobicContact CD2-CD1 4.13Å; L291-L293 HydrophobicContact CG-CD1 4.19Å; L291-L293 HydrophobicContact CG-CG 4.03Å; L291-L306 HydrophobicContact CD2-CD1 4.37Å; L291-L310 HydrophobicContact CD2-CD1 3.87Å; L291-L310 HydrophobicContact CD2-CD2 4.08Å; L291-L316 HydrophobicContact CB-CD1 4.27Å; L291-L318 PolarHBondContact N-O 3.45Å; L291-L319 HydrophobicContact CB-CD1 4.09Å; L291-L319 HydrophobicContact CD2-CD1 3.91Å; L291-L319 HydrophobicContact CG-CD1 4.02Å; L291-L319 WeakPolarHBondContact O-CA 3.5Å; L291-D320 PolarHBondContact O-N 3.02Å
292N98.3Very high93.4Very high9 Ų925.4 Ų25.45%0.04814%0.138CC..EExtended strand (participates in β ladder)trans-110.2114.7176.4-170.1-38000110.3L260 Y261 L262 S263 T294 D320L260-N292 PolarHBondContact O-N 2.66Å; Y261-N292 HydrophobicContact CD1-CB 3.64Å; Y261-N292 HydrophobicContact CE1-CB 4.28Å; Y261-N292 HydrophobicContact CG-CB 4.42Å; L262-N292 CarbonylContact C-O 3.44Å; L262-N292 PolarHBondContact N-O 2.86Å; S263-N292 WeakPolarHBondContact CB-OD1 3.43Å; S263-N292 PolarHBondContact N-O 3.27Å; N292-T294 WeakPolarHBondContact OD1-CB 3.45Å; N292-T294 PolarHBondContact OD1-N 3Å; N292-T294 PolarHBondContact OD1-OG1 2.94Å; N292-T294 VanDerWaalsContact OD1-OG1 3.14Å; N292-D320 HydrophobicContact CB-CB 4.49Å
293L98.4Very high93.8Very high0 Ų022.8 Ų22.80%012%0.121CC..  trans-124.628.1177-57.7175.9000111.5L262 L267 V272 L275 L291 N296 I298 L306 D320 L321 N324L262-L293 HydrophobicContact CB-CD2 3.94Å; L262-L293 HydrophobicContact CD1-CD2 4.21Å; L267-L293 HydrophobicContact CD1-CD2 3.99Å; V272-L293 HydrophobicContact CG1-CD1 4.32Å; V272-L293 HydrophobicContact CG2-CD1 4.38Å; L275-L293 HydrophobicContact CD1-CD2 4.02Å; L291-L293 HydrophobicContact CD1-CD1 4.34Å; L291-L293 HydrophobicContact CD1-CD2 4.04Å; L291-L293 HydrophobicContact CD1-CG 3.98Å; L291-L293 HydrophobicContact CD2-CD1 4.13Å; L291-L293 HydrophobicContact CG-CD1 4.19Å; L291-L293 HydrophobicContact CG-CG 4.03Å; L293-N296 WeakPolarHBondContact CA-ND2 3.39Å; L293-N296 PolarHBondContact O-ND2 2.85Å; L293-I298 HydrophobicContact CB-CD1 4Å; L293-I298 HydrophobicContact CD1-CD1 4.49Å; L293-L306 HydrophobicContact CD1-CD1 4.38Å; L293-L306 HydrophobicContact CD1-CD2 3.44Å; L293-L306 VanDerWaalsContact CD1-CD2 3.44Å; L293-D320 CarbonylContact C-O 3.56Å; L293-D320 PolarHBondContact N-O 3.24Å; L293-L321 HydrophobicContact CB-CD2 4.1Å; L293-L321 HydrophobicContact CD1-CD2 4.32Å; L293-N324 PolarHBondContact O-ND2 3.47Å; L293-N324 VanDerWaalsContact O-ND2 3.09Å
294T96.4Very high93.6Very high9 Ų917.2 Ų17.26%0.0559%0.091CC..THydrogen-bonded Turntrans-57.8140.4175.9-61.60000111.1S263 D264 N292 N296 D320 N322 A323S263-T294 CarbonylContact C-O 3.53Å; S263-T294 WeakPolarHBondContact CA-O 3.38Å; S263-T294 WeakPolarHBondContact CB-O 3.45Å; D264-T294 PolarHBondContact N-O 2.68Å; N292-T294 WeakPolarHBondContact OD1-CB 3.45Å; N292-T294 PolarHBondContact OD1-N 3Å; N292-T294 PolarHBondContact OD1-OG1 2.94Å; N292-T294 VanDerWaalsContact OD1-OG1 3.14Å; T294-N296 PolarHBondContact O-ND2 3.12Å; T294-D320 PolarHBondContact N-O 3.27Å; T294-D320 PolarHBondContact OG1-OD1 3.27Å; T294-D320 VanDerWaalsContact OG1-OD1 3.11Å; T294-D320 PolarHBondContact OG1-OD2 2.88Å; T294-D320 VanDerWaalsContact OG1-OD2 3.05Å; T294-N322 CarbonylContact C-O 3.49Å; T294-N322 WeakPolarHBondContact CA-O 3.21Å; T294-N322 HydrophobicContact CG2-CB 4.14Å; T294-N322 WeakPolarHBondContact CG2-O 3.37Å; T294-A323 HydrophobicContact CG2-CB 4.1Å
295G95Very high93.1Very high15 Ų1517.6 Ų17.616%0.1559%0.093CC..THydrogen-bonded Turntrans72.632.2170.200000115.5D264 N322 A323D264-G295 WeakPolarHBondContact CA-O 3.21Å; D264-G295 WeakPolarHBondContact OD1-CA 3.39Å; G295-N322 PolarHBondContact N-O 3.29Å; G295-A323 WeakPolarHBondContact CA-O 3.26Å; G295-A323 PolarHBondContact N-O 3.04Å
296N96.8Very high93Very high0 Ų017.6 Ų17.60%09%0.093CC..SBendtrans-11013.1-172.6-84.9-68.1000115.2L262 C265 I266 L267 R268 L293 T294 I298 N324L262-N296 PolarHBondContact O-ND2 3.02Å; L262-N296 PolarHBondContact O-OD1 3.01Å; C265-N296 WeakPolarHBondContact CA-OD1 3.48Å; C265-N296 WeakPolarHBondContact CB-OD1 3.31Å; C265-N296 PolarHBondContact N-OD1 3.25Å; I266-N296 PolarHBondContact N-OD1 3.06Å; L267-N296 HydrophobicContact CB-CB 4.3Å; L267-N296 VanDerWaalsContact CG-OD1 3.28Å; L267-N296 WeakPolarHBondContact CG-OD1 3.27Å; L267-N296 PolarHBondContact N-OD1 3.11Å; R268-N296 WeakPolarHBondContact CA-O 3.28Å; R268-N296 PolarHBondContact N-O 3.5Å; L293-N296 WeakPolarHBondContact CA-ND2 3.39Å; L293-N296 PolarHBondContact O-ND2 2.85Å; T294-N296 PolarHBondContact O-ND2 3.12Å; N296-I298 HydrophobicContact CB-CD1 3.93Å; N296-I298 HydrophobicContact CB-CG1 3.73Å; N296-I298 PolarHBondContact O-N 3.42Å; N296-N324 WeakPolarHBondContact CA-OD1 3.35Å; N296-N324 PolarHBondContact N-OD1 3.31Å
297E93.9Very high92.8Very high74 Ų7415.4 Ų15.435%0.3468%0.079SC..  trans55.835.4-178.5-57.2172.2-172.200112R268 N324R268-E297 HydrophobicContact CG-CB 4.12Å; R268-E297 WeakPolarHBondContact CG-OE2 3.4Å; R268-E297 IonicContact CZ-OE2 3.31Å; R268-E297 IonicContact NE-OE2 3.2Å; R268-E297 PolarHBondContact NE-OE2 2.88Å; R268-E297 IonicContact NH2-OE2 3.71Å; E297-N324 PolarHBondContact N-OD1 3.07Å
298I92.9Very high92.2Very high0 Ų012.7 Ų12.70%06%0.064CC..  trans-78.7125.3-177.8-53.9167.7000109.4V272 L293 N296 A302 N324 E325 F326V272-I298 HydrophobicContact CB-CD1 4.41Å; V272-I298 HydrophobicContact CB-CG1 4.38Å; V272-I298 HydrophobicContact CG1-CD1 4.23Å; V272-I298 HydrophobicContact CG1-CG2 4.32Å; V272-I298 HydrophobicContact CG2-CD1 3.65Å; V272-I298 HydrophobicContact CG2-CG1 3.72Å; L293-I298 HydrophobicContact CB-CD1 4Å; L293-I298 HydrophobicContact CD1-CD1 4.49Å; N296-I298 HydrophobicContact CB-CD1 3.93Å; N296-I298 HydrophobicContact CB-CG1 3.73Å; N296-I298 PolarHBondContact O-N 3.42Å; I298-A302 HydrophobicContact CG2-CB 3.88Å; I298-N324 HydrophobicContact CB-CB 4.06Å; I298-N324 WeakPolarHBondContact CB-OD1 3.42Å; I298-N324 WeakPolarHBondContact CD1-OD1 3.29Å; I298-N324 WeakPolarHBondContact CG1-OD1 3.33Å; I298-N324 PolarHBondContact N-OD1 3.24Å; I298-E325 CarbonylContact O-C 3.59Å; I298-E325 WeakPolarHBondContact O-CA 3.28Å; I298-E325 PolarHBondContact O-N 3.35Å; I298-F326 HydrophobicContact CB-CE1 4.1Å; I298-F326 HydrophobicContact CB-CZ 4.33Å; I298-F326 HydrophobicContact CG2-CE1 3.93Å; I298-F326 HydrophobicContact CG2-CZ 4.35Å; I298-F326 WeakPolarHBondContact O-CD1 3.36Å; I298-F326 WeakPolarHBondContact O-CE1 3.43Å
299K89.5Confident91.5Very high22 Ų2212.8 Ų12.810%0.0966%0.064CC..BIsolated β-bridgetrans-82.6161.1173.7-62.6-178.3-179.8172.90111.7S269 S301 A302 G303 E325 E378 G379 E380 D381S269-K299 WeakPolarHBondContact OG-CB 3.48Å; S269-K299 PolarHBondContact OG-N 2.76Å; S269-K299 VanDerWaalsContact OG-N 3.13Å; K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.2Å; K299-A302 PolarHBondContact O-N 2.84Å; K299-A302 VanDerWaalsContact O-N 3.14Å; K299-G303 PolarHBondContact O-N 3.23Å; K299-E325 HydrophobicContact CG-CB 4.44Å; K299-E378 HydrophobicContact CB-CG 4.38Å; K299-E378 HydrophobicContact CD-CB 4.49Å; K299-E378 HydrophobicContact CD-CG 4.46Å; K299-G379 PolarHBondContact NZ-O 3.21Å; K299-E380 PolarHBondContact NZ-O 3.48Å; K299-D381 WeakPolarHBondContact CD-OD1 3.15Å; K299-D381 WeakPolarHBondContact CE-OD1 3.47Å; K299-D381 IonicContact NZ-OD1 3.2Å; K299-D381 PolarHBondContact NZ-OD1 3.16Å
300L85.7Confident91.2Very high15 Ų159.1 Ų9.18%0.0795%0.051CC..Hα-helixtrans-51.3-47.6-175.7176.459.6000113.7A302 G303 I304 I334L300-A302 PolarHBondContact O-N 3.36Å; L300-G303 PolarHBondContact O-N 2.66Å; L300-I304 HydrophobicContact CD1-CD1 3.69Å; L300-I304 HydrophobicContact CD1-CG1 4.03Å; L300-I304 HydrophobicContact CG-CD1 3.78Å; L300-I304 WeakPolarHBondContact O-CG1 3.18Å; L300-I304 PolarHBondContact O-N 3.39Å; L300-I334 HydrophobicContact CD1-CD1 4.15Å; L300-I334 HydrophobicContact CD1-CG1 4.05Å
301S82.2Confident90.4Very high15 Ų159.8 Ų9.811%0.1056%0.059CC..Hα-helixtrans-57.7-44.7179.449.30000113.3K299 N305 E378K299-S301 VanDerWaalsContact C-N 3.34Å; K299-S301 PolarHBondContact O-N 3.2Å; S301-N305 WeakPolarHBondContact O-CB 3.35Å; S301-N305 PolarHBondContact O-N 3.44Å; S301-N305 VanDerWaalsContact O-N 3.09Å; S301-E378 WeakPolarHBondContact CB-OE1 3.41Å; S301-E378 PolarHBondContact N-OE1 3.23Å; S301-E378 PolarHBondContact OG-OE1 3.05Å
302A87Confident89.5Confident0 Ų011.2 Ų11.20%07%0.067CC..Hα-helixtrans-69.1-38.8176.600000112.1K273 I298 K299 L300 N305 L306K273-A302 HydrophobicContact CG-CB 4.17Å; I298-A302 HydrophobicContact CG2-CB 3.88Å; K299-A302 PolarHBondContact O-N 2.84Å; K299-A302 VanDerWaalsContact O-N 3.14Å; L300-A302 PolarHBondContact O-N 3.36Å; A302-N305 PolarHBondContact O-N 2.89Å; A302-L306 WeakPolarHBondContact O-CB 3.4Å; A302-L306 PolarHBondContact O-N 3.15Å
303G91.6Very high89.1Confident0 Ų011 Ų110%07%0.065CC..Hα-helixtrans-60.6-44.5174.900000112.7K299 L300 L306 I307K299-G303 PolarHBondContact O-N 3.23Å; L300-G303 PolarHBondContact O-N 2.66Å; G303-L306 PolarHBondContact O-N 3.41Å; G303-I307 VanDerWaalsContact O-CD1 3.31Å; G303-I307 WeakPolarHBondContact O-CD1 3.47Å; G303-I307 VanDerWaalsContact O-CG1 3.28Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.13Å; G303-I307 VanDerWaalsContact O-N 3.11Å
304I84.6Confident88.5Confident5 Ų516 Ų163%0.02610%0.1CC..Hα-helixtrans-61.7-48.3174.8-70.5160000110.7L300 L306 I307 L308 I334 T337 I647 L704L300-I304 HydrophobicContact CD1-CD1 3.69Å; L300-I304 HydrophobicContact CD1-CG1 4.03Å; L300-I304 HydrophobicContact CG-CD1 3.78Å; L300-I304 WeakPolarHBondContact O-CG1 3.18Å; L300-I304 PolarHBondContact O-N 3.39Å; I304-L306 VanDerWaalsContact C-N 3.31Å; I304-L306 PolarHBondContact O-N 3.2Å; I304-I307 PolarHBondContact O-N 3.43Å; I304-L308 HydrophobicContact CG2-CD1 4Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 WeakPolarHBondContact O-CG 3.48Å; I304-L308 PolarHBondContact O-N 2.85Å; I304-I334 HydrophobicContact CG1-CD1 4.36Å; I304-T337 HydrophobicContact CG2-CG2 4.2Å; I304-I647 HydrophobicContact CG2-CD1 3.96Å; I304-L704 HydrophobicContact CD1-CD2 3.47Å; I304-L704 VanDerWaalsContact CD1-CD2 3.47Å; I304-L704 HydrophobicContact CG1-CD2 4.28Å; I304-L704 HydrophobicContact CG2-CD1 3.87Å; I304-L704 HydrophobicContact CG2-CD2 4.44Å
305N82.7Confident88.4Confident14 Ų1420.3 Ų20.38%0.07512%0.12CC..Hα-helixtrans-58.9-42.6179.6172.6-99.3000112.1A276 S301 A302 L308 S309 N638A276-N305 WeakPolarHBondContact CB-OD1 3.41Å; S301-N305 WeakPolarHBondContact O-CB 3.35Å; S301-N305 PolarHBondContact O-N 3.44Å; S301-N305 VanDerWaalsContact O-N 3.09Å; A302-N305 PolarHBondContact O-N 2.89Å; N305-L308 PolarHBondContact O-N 2.98Å; N305-S309 WeakPolarHBondContact O-CB 3.48Å; N305-S309 PolarHBondContact O-N 3.5Å; N305-S309 PolarHBondContact O-OG 3.48Å; N305-N638 PolarHBondContact ND2-ND2 3.45Å
306L93Very high88.4Confident0 Ų019.7 Ų19.70%011%0.113CC..Hα-helixtrans-57.6-50.7174175.570.2000111.8V272 A276 F279 L291 L293 A302 G303 I304 L308 S309 L310 L321V272-L306 HydrophobicContact CG1-CB 4.07Å; V272-L306 HydrophobicContact CG1-CD1 4.31Å; V272-L306 HydrophobicContact CG1-CD2 3.94Å; V272-L306 HydrophobicContact CG1-CG 4.33Å; A276-L306 HydrophobicContact CB-CB 4.34Å; A276-L306 HydrophobicContact CB-CD1 4.2Å; F279-L306 HydrophobicContact CD2-CD1 4.18Å; L291-L306 HydrophobicContact CD2-CD1 4.37Å; L293-L306 HydrophobicContact CD1-CD1 4.38Å; L293-L306 HydrophobicContact CD1-CD2 3.44Å; L293-L306 VanDerWaalsContact CD1-CD2 3.44Å; A302-L306 WeakPolarHBondContact O-CB 3.4Å; A302-L306 PolarHBondContact O-N 3.15Å; G303-L306 PolarHBondContact O-N 3.41Å; I304-L306 VanDerWaalsContact C-N 3.31Å; I304-L306 PolarHBondContact O-N 3.2Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.38Å; L306-S309 WeakPolarHBondContact O-CB 3.19Å; L306-S309 PolarHBondContact O-N 3.03Å; L306-S309 VanDerWaalsContact O-N 3.09Å; L306-L310 HydrophobicContact CD1-CD1 4.02Å; L306-L310 HydrophobicContact CD1-CG 4.29Å; L306-L310 HydrophobicContact CD2-CD1 4.46Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.48Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 3.37Å; L306-L321 HydrophobicContact CD2-CD2 3.77Å
307I90.7Very high88.4Confident0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-61.1-43.2-177.8-67.1157.7000111.2G303 I304 S309 L310 G311 L319 L321 I334 T337 L338 V341G303-I307 VanDerWaalsContact O-CD1 3.31Å; G303-I307 WeakPolarHBondContact O-CD1 3.47Å; G303-I307 VanDerWaalsContact O-CG1 3.28Å; G303-I307 WeakPolarHBondContact O-CG1 3.46Å; G303-I307 PolarHBondContact O-N 3.13Å; G303-I307 VanDerWaalsContact O-N 3.11Å; I304-I307 PolarHBondContact O-N 3.43Å; I307-S309 VanDerWaalsContact C-N 3.26Å; I307-S309 PolarHBondContact O-N 2.84Å; I307-L310 PolarHBondContact O-N 3.4Å; I307-G311 PolarHBondContact O-N 3.19Å; I307-L319 HydrophobicContact CG1-CD2 4.36Å; I307-L321 HydrophobicContact CD1-CD1 4.21Å; I307-L321 HydrophobicContact CG1-CD1 4.3Å; I307-I334 HydrophobicContact CD1-CB 4.38Å; I307-I334 HydrophobicContact CD1-CD1 3.61Å; I307-I334 HydrophobicContact CD1-CG2 3.83Å; I307-T337 HydrophobicContact CB-CG2 4.07Å; I307-T337 HydrophobicContact CG2-CG2 3.72Å; I307-L338 HydrophobicContact CB-CD2 4.48Å; I307-L338 HydrophobicContact CD1-CD2 4.23Å; I307-L338 HydrophobicContact CD1-CG 3.99Å; I307-L338 HydrophobicContact CG1-CD2 3.94Å; I307-L338 HydrophobicContact CG1-CG 4.24Å; I307-L338 HydrophobicContact CG2-CD2 3.73Å; I307-L338 HydrophobicContact CG2-CG 4.04Å; I307-V341 HydrophobicContact CG2-CG2 3.61Å
308L83.5Confident88.5Confident4 Ų423.2 Ų23.22%0.02113%0.13CC..Hα-helixtrans-61.6-37.1176.6-66.8178.2000111.8I304 N305 L306 L310 G311 T337 V341 S634 N638 C700I304-L308 HydrophobicContact CG2-CD1 4Å; I304-L308 HydrophobicContact CG2-CG 4.36Å; I304-L308 WeakPolarHBondContact O-CG 3.48Å; I304-L308 PolarHBondContact O-N 2.85Å; N305-L308 PolarHBondContact O-N 2.98Å; L306-L308 VanDerWaalsContact C-N 3.33Å; L306-L308 PolarHBondContact O-N 3.38Å; L308-L310 VanDerWaalsContact C-N 3.35Å; L308-G311 PolarHBondContact O-N 3.12Å; L308-T337 HydrophobicContact CD2-CG2 4.01Å; L308-T337 HydrophobicContact CG-CG2 4.25Å; L308-V341 HydrophobicContact CD2-CG1 3.94Å; L308-S634 WeakPolarHBondContact O-CB 3.49Å; L308-S634 PolarHBondContact O-OG 2.85Å; L308-N638 HydrophobicContact CD1-CB 4.25Å; L308-C700 WeakPolarHBondContact CD2-SG 3.29Å
309S83.8Confident88.7Confident2 Ų223.2 Ų23.21%0.01413%0.13CC..Hα-helixtrans-71.1-30.2178.5-54.30000112.6A276 N305 L306 I307 G311 N312A276-S309 VanDerWaalsContact O-CB 3.25Å; A276-S309 WeakPolarHBondContact O-CB 3.31Å; A276-S309 PolarHBondContact O-OG 3.31Å; N305-S309 WeakPolarHBondContact O-CB 3.48Å; N305-S309 PolarHBondContact O-N 3.5Å; N305-S309 PolarHBondContact O-OG 3.48Å; L306-S309 WeakPolarHBondContact O-CB 3.19Å; L306-S309 PolarHBondContact O-N 3.03Å; L306-S309 VanDerWaalsContact O-N 3.09Å; I307-S309 VanDerWaalsContact C-N 3.26Å; I307-S309 PolarHBondContact O-N 2.84Å; S309-G311 VanDerWaalsContact C-N 3.31Å; S309-G311 PolarHBondContact O-N 3.1Å; S309-N312 PolarHBondContact O-ND2 2.93Å
310L92.1Very high89Confident0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-79.7-7178.4-68.7169.5000114.1F279 L291 L306 I307 L308 N312 K313 L316 L319 L343F279-L310 HydrophobicContact CB-CD2 4.06Å; F279-L310 HydrophobicContact CD2-CD2 3.78Å; F279-L310 HydrophobicContact CE2-CD2 4.37Å; F279-L310 HydrophobicContact CG-CD2 3.91Å; L291-L310 HydrophobicContact CD2-CD1 3.87Å; L291-L310 HydrophobicContact CD2-CD2 4.08Å; L306-L310 HydrophobicContact CD1-CD1 4.02Å; L306-L310 HydrophobicContact CD1-CG 4.29Å; L306-L310 HydrophobicContact CD2-CD1 4.46Å; L306-L310 HydrophobicContact CG-CD1 3.87Å; L306-L310 HydrophobicContact CG-CG 4.48Å; L306-L310 WeakPolarHBondContact O-CG 3.33Å; L306-L310 PolarHBondContact O-N 3.37Å; I307-L310 PolarHBondContact O-N 3.4Å; L308-L310 VanDerWaalsContact C-N 3.35Å; L310-N312 PolarHBondContact O-N 2.68Å; L310-K313 HydrophobicContact CD2-CG 3.85Å; L310-K313 WeakPolarHBondContact O-CB 3.42Å; L310-K313 PolarHBondContact O-N 3.14Å; L310-L316 HydrophobicContact CB-CD2 4.34Å; L310-L316 HydrophobicContact CD1-CD2 4.19Å; L310-L316 HydrophobicContact CD2-CD2 4.48Å; L310-L319 HydrophobicContact CD1-CD1 3.95Å; L310-L319 HydrophobicContact CD1-CD2 3.79Å; L310-L343 HydrophobicContact CB-CD1 3.79Å
311G81Confident89.5Confident22 Ų2222.3 Ų22.323%0.22713%0.127CC..THydrogen-bonded Turntrans-61.3-7.9-179.600000115.1I307 L308 S309I307-G311 PolarHBondContact O-N 3.19Å; L308-G311 PolarHBondContact O-N 3.12Å; S309-G311 VanDerWaalsContact C-N 3.31Å; S309-G311 PolarHBondContact O-N 3.1Å
312N79.9Confident90Very high30 Ų3022.6 Ų22.616%0.1613%0.127CC..THydrogen-bonded Turntrans-95.5-9172.66827.5000113.9F279 E280 P282 S309 L310 S314F279-N312 PolarHBondContact O-ND2 3.14Å; F279-N312 PolarHBondContact O-OD1 3.1Å; E280-N312 PolarHBondContact O-ND2 2.87Å; P282-N312 HydrophobicContact CB-CB 4.39Å; S309-N312 PolarHBondContact O-ND2 2.93Å; L310-N312 PolarHBondContact O-N 2.68Å; N312-S314 PolarHBondContact O-N 3.32Å; N312-S314 VanDerWaalsContact O-N 3.14Å
313K89.9Confident90.2Very high4 Ų424.5 Ų24.52%0.01714%0.143CC..  trans-87.777.6-176.6-56-55.2170.5-156.50110.9F279 D281 T284 L310 H315 L316F279-K313 VanDerWaalsContact O-CE 3.24Å; F279-K313 WeakPolarHBondContact O-CE 3.39Å; F279-K313 PolarHBondContact O-NZ 3.08Å; D281-K313 PolarHBondContact O-NZ 3.39Å; T284-K313 PolarHBondContact O-NZ 3.09Å; L310-K313 HydrophobicContact CD2-CG 3.85Å; L310-K313 WeakPolarHBondContact O-CB 3.42Å; L310-K313 PolarHBondContact O-N 3.14Å; K313-H315 PolarHBondContact O-N 3.02Å; K313-H315 VanDerWaalsContact O-N 3.1Å; K313-L316 HydrophobicContact CB-CB 4.12Å; K313-L316 VanDerWaalsContact O-CB 3.3Å; K313-L316 WeakPolarHBondContact O-CB 3.17Å; K313-L316 PolarHBondContact O-N 2.75Å
314S86.5Confident90.3Very high104 Ų10424.6 Ų24.673%0.72714%0.143SC*.THydrogen-bonded Turntrans-63.4-17-175.757.30000115.2N312N312-S314 PolarHBondContact O-N 3.32Å; N312-S314 VanDerWaalsContact O-N 3.14Å
315H93.6Very high90.6Very high101 Ų10128.1 Ų28.147%0.46816%0.16SC..THydrogen-bonded Turntrans-92.9-2.4177.8-67.5-71.2000113.5P286 L288 R289 K313 E317P286-H315 PolarHBondContact O-CD2 2.68Å; L288-H315 CarbonylContact O-C 3.52Å; R289-H315 WeakPolarHBondContact CA-O 3.36Å; K313-H315 PolarHBondContact O-N 3.02Å; K313-H315 VanDerWaalsContact O-N 3.1Å; H315-E317 PolarHBondContact O-N 3.42Å
316L95.8Very high90.9Very high2 Ų227.6 Ų27.61%0.0116%0.157CC..  trans-65.7119.7-178-164.367.4000110.2L288 L291 L310 K313 L319 L343 H345 T346L288-L316 HydrophobicContact CD2-CD1 4.45Å; L288-L316 HydrophobicContact CG-CD1 4.3Å; L288-L316 WeakPolarHBondContact O-CA 3.27Å; L288-L316 PolarHBondContact O-N 3.42Å; L291-L316 HydrophobicContact CB-CD1 4.27Å; L310-L316 HydrophobicContact CB-CD2 4.34Å; L310-L316 HydrophobicContact CD1-CD2 4.19Å; L310-L316 HydrophobicContact CD2-CD2 4.48Å; K313-L316 HydrophobicContact CB-CB 4.12Å; K313-L316 VanDerWaalsContact O-CB 3.3Å; K313-L316 WeakPolarHBondContact O-CB 3.17Å; K313-L316 PolarHBondContact O-N 2.75Å; L316-L319 HydrophobicContact CD2-CB 4.25Å; L316-L343 HydrophobicContact CD2-CD1 4.42Å; L316-L343 HydrophobicContact CD2-CD2 4.44Å; L316-H345 PolarHBondContact O-NE2 2.99Å; L316-H345 VanDerWaalsContact O-NE2 3.11Å; L316-T346 HydrophobicContact CB-CG2 4.25Å; L316-T346 HydrophobicContact CD2-CG2 4.24Å; L316-T346 HydrophobicContact CG-CG2 4.05Å; L316-T346 VanDerWaalsContact O-CG2 3.31Å; L316-T346 WeakPolarHBondContact O-CG2 3.4Å
317E95.9Very high90.5Very high109 Ų10927.7 Ų27.751%0.50916%0.157SC..  trans-110.2-28.6-180-71.7173.6-17300111.8R289 H315 T346R289-E317 WeakPolarHBondContact CD-OE1 3.07Å; R289-E317 WeakPolarHBondContact CD-OE2 3.16Å; R289-E317 HydrophobicContact CG-CB 3.77Å; R289-E317 HydrophobicContact CG-CG 3.63Å; R289-E317 VanDerWaalsContact CG-OE2 3.24Å; R289-E317 WeakPolarHBondContact CG-OE2 3.4Å; R289-E317 IonicContact CZ-OE2 3.08Å; R289-E317 IonicContact NE-OE2 2.66Å; R289-E317 IonicContact NH1-OE2 2.67Å; R289-E317 PolarHBondContact NH1-OE2 3.23Å; R289-E317 PolarHBondContact O-N 3.16Å; H315-E317 PolarHBondContact O-N 3.42Å; E317-T346 WeakPolarHBondContact O-CA 3.44Å
318L96.2Very high90Very high38 Ų3835.7 Ų35.720%0.19919%0.188CC..EExtended strand (participates in β ladder)trans-138.3122.6-179.6-177.261.7000111.1R289 V290 L291 T346 P348R289-L318 PolarHBondContact O-N 3.05Å; V290-L318 WeakPolarHBondContact CA-O 3.5Å; V290-L318 HydrophobicContact CB-CB 4.46Å; V290-L318 HydrophobicContact CG1-CB 4.19Å; V290-L318 HydrophobicContact CG1-CD2 3.9Å; V290-L318 HydrophobicContact CG1-CG 4.27Å; V290-L318 HydrophobicContact CG2-CB 4.15Å; L291-L318 PolarHBondContact N-O 3.45Å; L318-T346 CarbonylContact C-O 3.57Å; L318-T346 VanDerWaalsContact CA-O 3.3Å; L318-T346 WeakPolarHBondContact CA-O 3.36Å; L318-P348 HydrophobicContact CD1-CB 4.29Å; L318-P348 HydrophobicContact CD1-CG 3.88Å
319L97.2Very high89.8Confident0 Ų037.3 Ų37.30%020%0.199CC..EExtended strand (participates in β ladder)trans-125.8104.5168.7176.558.9000107.9L291 I307 L310 L316 L321 L338 T346L291-L319 HydrophobicContact CB-CD1 4.09Å; L291-L319 HydrophobicContact CD2-CD1 3.91Å; L291-L319 HydrophobicContact CG-CD1 4.02Å; L291-L319 WeakPolarHBondContact O-CA 3.5Å; I307-L319 HydrophobicContact CG1-CD2 4.36Å; L310-L319 HydrophobicContact CD1-CD1 3.95Å; L310-L319 HydrophobicContact CD1-CD2 3.79Å; L316-L319 HydrophobicContact CD2-CB 4.25Å; L319-L321 HydrophobicContact CD1-CD2 3.96Å; L319-L321 HydrophobicContact CD1-CG 4.08Å; L319-L321 HydrophobicContact CD2-CD1 4.12Å; L319-L321 HydrophobicContact CD2-CG 4.47Å; L319-L321 HydrophobicContact CG-CD1 4.15Å; L319-L321 HydrophobicContact CG-CD2 4.4Å; L319-L321 HydrophobicContact CG-CG 3.97Å; L319-L338 HydrophobicContact CD2-CD2 3.85Å; L319-T346 WeakPolarHBondContact CB-OG1 3.3Å; L319-T346 PolarHBondContact N-O 2.99Å
320D96Very high89.8Confident18 Ų1837.2 Ų37.210%0.09620%0.199CC..EExtended strand (participates in β ladder)trans-101.1116.7178.2-164-1.8000110.2L291 N292 L293 T294 N322 P348L291-D320 PolarHBondContact O-N 3.02Å; N292-D320 HydrophobicContact CB-CB 4.49Å; L293-D320 CarbonylContact C-O 3.56Å; L293-D320 PolarHBondContact N-O 3.24Å; T294-D320 PolarHBondContact N-O 3.27Å; T294-D320 PolarHBondContact OG1-OD1 3.27Å; T294-D320 VanDerWaalsContact OG1-OD1 3.11Å; T294-D320 PolarHBondContact OG1-OD2 2.88Å; T294-D320 VanDerWaalsContact OG1-OD2 3.05Å; D320-N322 WeakPolarHBondContact OD1-CB 3.33Å; D320-N322 PolarHBondContact OD1-N 3.27Å; D320-P348 HydrophobicContact CB-CG 4.18Å
321L95.7Very high89.6Confident1 Ų137.5 Ų37.51%0.00520%0.2CC..  trans-121.815.6-178.5-62.1176.9000111.5L293 L306 I307 L319 N324 F326 I334 F369L293-L321 HydrophobicContact CB-CD2 4.1Å; L293-L321 HydrophobicContact CD1-CD2 4.32Å; L306-L321 HydrophobicContact CD2-CD2 3.77Å; I307-L321 HydrophobicContact CD1-CD1 4.21Å; I307-L321 HydrophobicContact CG1-CD1 4.3Å; L319-L321 HydrophobicContact CD1-CD2 3.96Å; L319-L321 HydrophobicContact CD1-CG 4.08Å; L319-L321 HydrophobicContact CD2-CD1 4.12Å; L319-L321 HydrophobicContact CD2-CG 4.47Å; L319-L321 HydrophobicContact CG-CD1 4.15Å; L319-L321 HydrophobicContact CG-CD2 4.4Å; L319-L321 HydrophobicContact CG-CG 3.97Å; L321-N324 PolarHBondContact O-ND2 3.41Å; L321-F326 HydrophobicContact CB-CE2 3.94Å; L321-F326 HydrophobicContact CB-CZ 4.2Å; L321-F326 WeakPolarHBondContact O-CE2 3.38Å; L321-I334 HydrophobicContact CD1-CG2 4.35Å; L321-F369 HydrophobicContact CB-CE1 4.08Å
322N93.1Very high89.8Confident21 Ų2141.3 Ų41.311%0.11221%0.208CC..  trans-62.3165.3-179.2-171.427.4000112.2T294 G295 D320 N324 F369 D370 Q373T294-N322 CarbonylContact C-O 3.49Å; T294-N322 WeakPolarHBondContact CA-O 3.21Å; T294-N322 HydrophobicContact CG2-CB 4.14Å; T294-N322 WeakPolarHBondContact CG2-O 3.37Å; G295-N322 PolarHBondContact N-O 3.29Å; D320-N322 WeakPolarHBondContact OD1-CB 3.33Å; D320-N322 PolarHBondContact OD1-N 3.27Å; N322-N324 VanDerWaalsContact C-N 3.29Å; N322-N324 PolarHBondContact O-N 2.61Å; N322-N324 PolarHBondContact O-ND2 2.73Å; N322-F369 WeakPolarHBondContact OD1-CA 3.2Å; N322-D370 PolarHBondContact ND2-OD2 3.12Å; N322-D370 PolarHBondContact OD1-N 2.99Å; N322-Q373 PolarHBondContact OD1-NE2 3.38Å
323A91.7Very high89.9Confident40 Ų4040 Ų4033%0.33120%0.2SC..SBendtrans52.141.9178.300000114T294 G295T294-A323 HydrophobicContact CG2-CB 4.1Å; G295-A323 WeakPolarHBondContact CA-O 3.26Å; G295-A323 PolarHBondContact N-O 3.04Å
324N93.9Very high89.8Confident2 Ų239.8 Ų39.81%0.01120%0.2CC..SBendtrans-115.2-179.1174.7-79.7-61.6000110.8L293 N296 E297 I298 L321 N322 F326 Q373L293-N324 PolarHBondContact O-ND2 3.47Å; L293-N324 VanDerWaalsContact O-ND2 3.09Å; N296-N324 WeakPolarHBondContact CA-OD1 3.35Å; N296-N324 PolarHBondContact N-OD1 3.31Å; E297-N324 PolarHBondContact N-OD1 3.07Å; I298-N324 HydrophobicContact CB-CB 4.06Å; I298-N324 WeakPolarHBondContact CB-OD1 3.42Å; I298-N324 WeakPolarHBondContact CD1-OD1 3.29Å; I298-N324 WeakPolarHBondContact CG1-OD1 3.33Å; I298-N324 PolarHBondContact N-OD1 3.24Å; L321-N324 PolarHBondContact O-ND2 3.41Å; N322-N324 VanDerWaalsContact C-N 3.29Å; N322-N324 PolarHBondContact O-N 2.61Å; N322-N324 PolarHBondContact O-ND2 2.73Å; N324-F326 HydrophobicContact CB-CD2 4.17Å; N324-F326 HydrophobicContact CB-CE1 4.05Å; N324-F326 HydrophobicContact CB-CE2 3.66Å; N324-F326 HydrophobicContact CB-CZ 3.59Å; N324-F326 PolarHBondContact O-N 3.09Å; N324-Q373 CarbonylContact O-C 3.59Å; N324-Q373 WeakPolarHBondContact O-CA 3.37Å; N324-Q373 VanDerWaalsContact O-O 3.08Å
325E91.5Very high89.8Confident79 Ų7935 Ų3537%0.36917%0.166SC..BIsolated β-bridgetrans-100.356.2-173.3-64.1-171.6-173.800113I298 K299 Q373I298-E325 CarbonylContact O-C 3.59Å; I298-E325 WeakPolarHBondContact O-CA 3.28Å; I298-E325 PolarHBondContact O-N 3.35Å; K299-E325 HydrophobicContact CG-CB 4.44Å; E325-Q373 CarbonylContact C-O 3.42Å; E325-Q373 WeakPolarHBondContact CA-O 3.36Å
326F87.5Confident89.2Confident3 Ų331.9 Ų31.91%0.01315%0.151CC..  trans-88.5-28.2179.8-54.3-40000113.9I298 L321 N324 G330 V331 I334 F369 Q373I298-F326 HydrophobicContact CB-CE1 4.1Å; I298-F326 HydrophobicContact CB-CZ 4.33Å; I298-F326 HydrophobicContact CG2-CE1 3.93Å; I298-F326 HydrophobicContact CG2-CZ 4.35Å; I298-F326 WeakPolarHBondContact O-CD1 3.36Å; I298-F326 WeakPolarHBondContact O-CE1 3.43Å; L321-F326 HydrophobicContact CB-CE2 3.94Å; L321-F326 HydrophobicContact CB-CZ 4.2Å; L321-F326 WeakPolarHBondContact O-CE2 3.38Å; N324-F326 HydrophobicContact CB-CD2 4.17Å; N324-F326 HydrophobicContact CB-CE1 4.05Å; N324-F326 HydrophobicContact CB-CE2 3.66Å; N324-F326 HydrophobicContact CB-CZ 3.59Å; N324-F326 PolarHBondContact O-N 3.09Å; F326-G330 WeakPolarHBondContact O-CA 3.39Å; F326-G330 PolarHBondContact O-N 3.44Å; F326-V331 HydrophobicContact CB-CG2 4.13Å; F326-V331 HydrophobicContact CD2-CG2 4.43Å; F326-I334 HydrophobicContact CD1-CD1 4.37Å; F326-I334 HydrophobicContact CD1-CG1 4.29Å; F326-I334 HydrophobicContact CD2-CG1 4.05Å; F326-I334 HydrophobicContact CE1-CD1 4.22Å; F326-I334 HydrophobicContact CE1-CG1 4.5Å; F326-I334 HydrophobicContact CE2-CG1 4.26Å; F326-I334 HydrophobicContact CG-CG1 4.05Å; F326-I334 HydrophobicContact CZ-CD1 4.3Å; F326-I334 HydrophobicContact CZ-CG1 4.48Å; F326-F369 HydrophobicContact CD2-CD1 4.44Å; F326-F369 HydrophobicContact CD2-CE1 4.17Å; F326-F369 HydrophobicContact CE2-CE1 4.03Å; F326-Q373 PolarHBondContact N-O 3.28Å
327G84.6Confident88.5Confident1 Ų131.9 Ų31.91%0.0115%0.151CC..Hα-helixtrans70.2167.2-166.600000112.8S329 G330 V331 Q373 D376G327-S329 VanDerWaalsContact C-N 3.28Å; G327-S329 PolarHBondContact O-N 3.4Å; G327-G330 PolarHBondContact O-N 3.17Å; G327-V331 WeakPolarHBondContact O-CG2 3.47Å; G327-V331 PolarHBondContact O-N 3.49Å; G327-Q373 WeakPolarHBondContact CA-O 3.49Å; G327-Q373 PolarHBondContact N-O 3.35Å; G327-D376 VanDerWaalsContact CA-OD1 3.27Å; G327-D376 WeakPolarHBondContact CA-OD1 3.44Å
328R80.2Confident88.1Confident169 Ų16926.7 Ų26.764%0.63813%0.127SC*.Hα-helixtrans-64-32.4-177.3-71.2-175.5178.3-165.1-3.2113.1R332 D376R328-R332 PolarHBondContact O-NH1 3.18Å; R328-D376 PolarHBondContact N-OD1 3.01Å
329S80Confident87.5Confident38 Ų3829.2 Ų29.227%0.26614%0.141SC..Hα-helixtrans-78.3-38.5175.563.30000111.5G327 R332 S333 D376G327-S329 VanDerWaalsContact C-N 3.28Å; G327-S329 PolarHBondContact O-N 3.4Å; S329-R332 PolarHBondContact O-N 3.33Å; S329-S333 PolarHBondContact O-N 2.88Å; S329-S333 PolarHBondContact O-OG 3.49Å; S329-D376 WeakPolarHBondContact CB-OD1 3.31Å; S329-D376 PolarHBondContact N-OD1 3.48Å; S329-D376 PolarHBondContact OG-OD1 2.95Å
330G83.6Confident86.5Confident0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-68.2-33.8177.700000113.4F326 G327 R332 S333 I334F326-G330 WeakPolarHBondContact O-CA 3.39Å; F326-G330 PolarHBondContact O-N 3.44Å; G327-G330 PolarHBondContact O-N 3.17Å; G330-R332 VanDerWaalsContact C-N 3.27Å; G330-R332 PolarHBondContact O-N 3.36Å; G330-S333 CarbonylContact O-C 3.45Å; G330-S333 WeakPolarHBondContact O-CA 3.48Å; G330-S333 VanDerWaalsContact O-CB 3.24Å; G330-S333 WeakPolarHBondContact O-CB 3.49Å; G330-S333 PolarHBondContact O-N 2.93Å; G330-I334 WeakPolarHBondContact O-CG1 3.48Å; G330-I334 PolarHBondContact O-N 3.42Å
331V88.5Confident85.6Confident5 Ų530.4 Ų30.43%0.0315%0.149CC..Hα-helixtrans-57.1-41.2172.3170.20000111.8F326 G327 S333 I334 I335 L366 F369 Q373F326-V331 HydrophobicContact CB-CG2 4.13Å; F326-V331 HydrophobicContact CD2-CG2 4.43Å; G327-V331 WeakPolarHBondContact O-CG2 3.47Å; G327-V331 PolarHBondContact O-N 3.49Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 2.88Å; V331-I334 WeakPolarHBondContact O-CB 3.39Å; V331-I334 PolarHBondContact O-N 2.91Å; V331-I335 HydrophobicContact CG1-CD1 3.92Å; V331-I335 HydrophobicContact CG1-CG1 4.48Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 3.22Å; V331-L366 HydrophobicContact CG1-CD2 3.77Å; V331-F369 HydrophobicContact CB-CG 4.5Å; V331-F369 HydrophobicContact CG1-CB 3.93Å; V331-F369 HydrophobicContact CG1-CD1 4.26Å; V331-F369 HydrophobicContact CG1-CD2 3.44Å; V331-F369 VanDerWaalsContact CG1-CD2 3.44Å; V331-F369 HydrophobicContact CG1-CE2 3.98Å; V331-F369 HydrophobicContact CG1-CG 3.6Å; V331-F369 HydrophobicContact CG2-CB 4.09Å; V331-F369 HydrophobicContact CG2-CD1 4.07Å; V331-F369 HydrophobicContact CG2-CG 4.02Å; V331-Q373 HydrophobicContact CG2-CB 4.17Å; V331-Q373 HydrophobicContact CG2-CG 3.76Å
332R84.1Confident84.8Confident103 Ų10332.7 Ų32.739%0.38917%0.174SC..Hα-helixtrans-62.6-40.2174.5-70.2-173.5177.382.5-1.6111.5R328 S329 G330 I334 I335 Q336R328-R332 PolarHBondContact O-NH1 3.18Å; S329-R332 PolarHBondContact O-N 3.33Å; G330-R332 VanDerWaalsContact C-N 3.27Å; G330-R332 PolarHBondContact O-N 3.36Å; R332-I334 VanDerWaalsContact C-N 3.33Å; R332-I334 PolarHBondContact O-N 2.74Å; R332-I335 PolarHBondContact O-N 3.05Å; R332-Q336 WeakPolarHBondContact O-CB 3.37Å; R332-Q336 VanDerWaalsContact O-CG 3.27Å; R332-Q336 WeakPolarHBondContact O-CG 3.44Å; R332-Q336 PolarHBondContact O-N 3.27Å
333S81.8Confident84.6Confident1 Ų132.2 Ų32.21%0.00717%0.171CC..Hα-helixtrans-63-39.5176.2-51.50000111.7S329 G330 V331 T337 E707S329-S333 PolarHBondContact O-N 2.88Å; S329-S333 PolarHBondContact O-OG 3.49Å; G330-S333 CarbonylContact O-C 3.45Å; G330-S333 WeakPolarHBondContact O-CA 3.48Å; G330-S333 VanDerWaalsContact O-CB 3.24Å; G330-S333 WeakPolarHBondContact O-CB 3.49Å; G330-S333 PolarHBondContact O-N 2.93Å; V331-S333 VanDerWaalsContact C-N 3.29Å; V331-S333 PolarHBondContact O-N 2.88Å; S333-T337 WeakPolarHBondContact O-CB 3.28Å; S333-T337 PolarHBondContact O-N 2.86Å; S333-T337 PolarHBondContact O-OG1 2.83Å; S333-E707 WeakPolarHBondContact OG-CG 3.27Å
334I88.9Confident84.5Confident0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-61.5-51.1173.9-70.3-66.7000110.7L300 I304 I307 L321 F326 G330 V331 R332 Q336 T337 L338 F369L300-I334 HydrophobicContact CD1-CD1 4.15Å; L300-I334 HydrophobicContact CD1-CG1 4.05Å; I304-I334 HydrophobicContact CG1-CD1 4.36Å; I307-I334 HydrophobicContact CD1-CB 4.38Å; I307-I334 HydrophobicContact CD1-CD1 3.61Å; I307-I334 HydrophobicContact CD1-CG2 3.83Å; L321-I334 HydrophobicContact CD1-CG2 4.35Å; F326-I334 HydrophobicContact CD1-CD1 4.37Å; F326-I334 HydrophobicContact CD1-CG1 4.29Å; F326-I334 HydrophobicContact CD2-CG1 4.05Å; F326-I334 HydrophobicContact CE1-CD1 4.22Å; F326-I334 HydrophobicContact CE1-CG1 4.5Å; F326-I334 HydrophobicContact CE2-CG1 4.26Å; F326-I334 HydrophobicContact CG-CG1 4.05Å; F326-I334 HydrophobicContact CZ-CD1 4.3Å; F326-I334 HydrophobicContact CZ-CG1 4.48Å; G330-I334 WeakPolarHBondContact O-CG1 3.48Å; G330-I334 PolarHBondContact O-N 3.42Å; V331-I334 WeakPolarHBondContact O-CB 3.39Å; V331-I334 PolarHBondContact O-N 2.91Å; R332-I334 VanDerWaalsContact C-N 3.33Å; R332-I334 PolarHBondContact O-N 2.74Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 3.35Å; I334-T337 PolarHBondContact O-N 2.95Å; I334-L338 HydrophobicContact CG2-CD1 3.97Å; I334-L338 WeakPolarHBondContact O-CG 3.37Å; I334-L338 PolarHBondContact O-N 3.48Å; I334-F369 HydrophobicContact CG2-CE1 4.3Å; I334-F369 HydrophobicContact CG2-CE2 4.5Å; I334-F369 HydrophobicContact CG2-CZ 3.69Å
335I86.9Confident84.2Confident3 Ų336.4 Ų36.42%0.01518%0.184CC..Hα-helixtrans-58.7-45.7178.2-69.2168.4000111.1V331 R332 T337 L338 D339 L344 L347 L366 F369V331-I335 HydrophobicContact CG1-CD1 3.92Å; V331-I335 HydrophobicContact CG1-CG1 4.48Å; V331-I335 WeakPolarHBondContact O-CG1 3.49Å; V331-I335 PolarHBondContact O-N 3.22Å; R332-I335 PolarHBondContact O-N 3.05Å; I335-T337 PolarHBondContact O-N 3.34Å; I335-L338 WeakPolarHBondContact O-CB 3.48Å; I335-L338 PolarHBondContact O-N 3.43Å; I335-D339 PolarHBondContact O-N 2.98Å; I335-L344 HydrophobicContact CG2-CD1 3.82Å; I335-L347 HydrophobicContact CG1-CD1 4.19Å; I335-L366 HydrophobicContact CD1-CD2 4.13Å; I335-L366 HydrophobicContact CD1-CG 4.28Å; I335-F369 HydrophobicContact CD1-CD2 4.44Å; I335-F369 HydrophobicContact CD1-CE2 4.3Å; I335-F369 HydrophobicContact CG1-CE2 4.02Å
336Q80.9Confident84.3Confident36 Ų3632.7 Ų32.717%0.16817%0.166CC..Hα-helixtrans-65.2-38.2177.5-73.2175.1-14.400112.3R332 I334 D339 S340 E362 V703R332-Q336 WeakPolarHBondContact O-CB 3.37Å; R332-Q336 VanDerWaalsContact O-CG 3.27Å; R332-Q336 WeakPolarHBondContact O-CG 3.44Å; R332-Q336 PolarHBondContact O-N 3.27Å; I334-Q336 VanDerWaalsContact C-N 3.35Å; I334-Q336 PolarHBondContact O-N 3.35Å; Q336-D339 PolarHBondContact O-N 3.17Å; Q336-S340 PolarHBondContact O-N 3.31Å; Q336-E362 WeakPolarHBondContact CG-OE1 3.45Å; Q336-E362 PolarHBondContact NE2-OE1 3.23Å; Q336-V703 HydrophobicContact CB-CG1 3.79Å; Q336-V703 HydrophobicContact CB-CG2 3.96Å
337T81.1Confident84.5Confident2 Ų233 Ų331%0.01217%0.168CC..Hα-helixtrans-65.9-42.1175.9-54.40000110.4I304 I307 L308 S333 I334 I335 D339 S340 V341I304-T337 HydrophobicContact CG2-CG2 4.2Å; I307-T337 HydrophobicContact CB-CG2 4.07Å; I307-T337 HydrophobicContact CG2-CG2 3.72Å; L308-T337 HydrophobicContact CD2-CG2 4.01Å; L308-T337 HydrophobicContact CG-CG2 4.25Å; S333-T337 WeakPolarHBondContact O-CB 3.28Å; S333-T337 PolarHBondContact O-N 2.86Å; S333-T337 PolarHBondContact O-OG1 2.83Å; I334-T337 PolarHBondContact O-N 2.95Å; I335-T337 PolarHBondContact O-N 3.34Å; T337-D339 PolarHBondContact O-N 3.24Å; T337-S340 WeakPolarHBondContact O-CB 3.45Å; T337-S340 PolarHBondContact O-N 3.28Å; T337-S340 VanDerWaalsContact O-N 3.12Å; T337-S340 PolarHBondContact O-OG 3.31Å; T337-V341 WeakPolarHBondContact O-CG2 3.34Å; T337-V341 PolarHBondContact O-N 3.33Å
338L87.7Confident84.6Confident0 Ų034.8 Ų34.80%018%0.18CC..Hα-helixtrans-58.8-45.7174.3-73.6162.1000112I307 L319 I334 I335 S340 V341 G342 L343 L344 L347I307-L338 HydrophobicContact CB-CD2 4.48Å; I307-L338 HydrophobicContact CD1-CD2 4.23Å; I307-L338 HydrophobicContact CD1-CG 3.99Å; I307-L338 HydrophobicContact CG1-CD2 3.94Å; I307-L338 HydrophobicContact CG1-CG 4.24Å; I307-L338 HydrophobicContact CG2-CD2 3.73Å; I307-L338 HydrophobicContact CG2-CG 4.04Å; L319-L338 HydrophobicContact CD2-CD2 3.85Å; I334-L338 HydrophobicContact CG2-CD1 3.97Å; I334-L338 WeakPolarHBondContact O-CG 3.37Å; I334-L338 PolarHBondContact O-N 3.48Å; I335-L338 WeakPolarHBondContact O-CB 3.48Å; I335-L338 PolarHBondContact O-N 3.43Å; L338-S340 VanDerWaalsContact C-N 3.27Å; L338-S340 PolarHBondContact O-N 3.26Å; L338-V341 PolarHBondContact O-N 3.2Å; L338-G342 PolarHBondContact O-N 3.33Å; L338-G342 VanDerWaalsContact O-N 3.1Å; L338-L343 HydrophobicContact CD2-CB 3.76Å; L338-L343 PolarHBondContact O-N 3.48Å; L338-L344 HydrophobicContact CB-CD1 4.38Å; L338-L344 PolarHBondContact O-N 2.77Å; L338-L347 HydrophobicContact CD1-CD1 3.78Å; L338-L347 HydrophobicContact CD1-CD2 3.69Å; L338-L347 HydrophobicContact CD1-CG 3.74Å
339D82.8Confident84.4Confident91 Ų9130.9 Ų30.949%0.48717%0.171SC..Hα-helixtrans-59.5-39.1174.7-170.846.2000111.7I335 Q336 T337 V341 G342 L344I335-D339 PolarHBondContact O-N 2.98Å; Q336-D339 PolarHBondContact O-N 3.17Å; T337-D339 PolarHBondContact O-N 3.24Å; D339-V341 VanDerWaalsContact C-N 3.28Å; D339-V341 PolarHBondContact O-N 3.46Å; D339-G342 PolarHBondContact O-N 2.98Å; D339-G342 VanDerWaalsContact O-N 3.14Å; D339-L344 HydrophobicContact CB-CB 4.44Å; D339-L344 HydrophobicContact CB-CD2 4.19Å
340S76.4Confident83.5Confident10 Ų1032.2 Ų32.27%0.0718%0.179CC..Hα-helixtrans-63.7-27.5179.584.10000115.8Q336 T337 L338 S696 N699 C700Q336-S340 PolarHBondContact O-N 3.31Å; T337-S340 WeakPolarHBondContact O-CB 3.45Å; T337-S340 PolarHBondContact O-N 3.28Å; T337-S340 VanDerWaalsContact O-N 3.12Å; T337-S340 PolarHBondContact O-OG 3.31Å; L338-S340 VanDerWaalsContact C-N 3.27Å; L338-S340 PolarHBondContact O-N 3.26Å; S340-S696 WeakPolarHBondContact O-CB 3.44Å; S340-N699 WeakPolarHBondContact CA-ND2 3.17Å; S340-N699 WeakPolarHBondContact CB-ND2 3.17Å; S340-C700 PolarHBondContact OG-SG 3.2Å; S340-C700 VanDerWaalsContact OG-SG 3.34Å
341V76.5Confident82.2Confident33 Ų3339.3 Ų39.320%0.222%0.217CC..THydrogen-bonded Turntrans-105.96.4177.3-62.30000112.7I307 L308 T337 L338 D339 L343I307-V341 HydrophobicContact CG2-CG2 3.61Å; L308-V341 HydrophobicContact CD2-CG1 3.94Å; T337-V341 WeakPolarHBondContact O-CG2 3.34Å; T337-V341 PolarHBondContact O-N 3.33Å; L338-V341 PolarHBondContact O-N 3.2Å; D339-V341 VanDerWaalsContact C-N 3.28Å; D339-V341 PolarHBondContact O-N 3.46Å; V341-L343 VanDerWaalsContact C-N 3.32Å; V341-L343 HydrophobicContact CG2-CB 4Å; V341-L343 HydrophobicContact CG2-CD1 3.74Å; V341-L343 HydrophobicContact CG2-CG 3.77Å
342G79.5Confident80.4Confident50 Ų5047.3 Ų47.352%0.51526%0.26SS..THydrogen-bonded Turntrans69.926.717900000114.1L338 D339 H345L338-G342 PolarHBondContact O-N 3.33Å; L338-G342 VanDerWaalsContact O-N 3.1Å; D339-G342 PolarHBondContact O-N 2.98Å; D339-G342 VanDerWaalsContact O-N 3.14Å; G342-H345 PolarHBondContact O-CE1 2.98Å; G342-H345 PolarHBondContact O-ND1 3.12Å
343L89Confident78.7Confident11 Ų1150.2 Ų50.26%0.05828%0.275CS..  trans-106.211.7178.5-65.3-179.6000112.7L310 L316 L338 V341 H345 T346L310-L343 HydrophobicContact CB-CD1 3.79Å; L316-L343 HydrophobicContact CD2-CD1 4.42Å; L316-L343 HydrophobicContact CD2-CD2 4.44Å; L338-L343 HydrophobicContact CD2-CB 3.76Å; L338-L343 PolarHBondContact O-N 3.48Å; V341-L343 VanDerWaalsContact C-N 3.32Å; V341-L343 HydrophobicContact CG2-CB 4Å; V341-L343 HydrophobicContact CG2-CD1 3.74Å; V341-L343 HydrophobicContact CG2-CG 3.77Å; L343-H345 PolarHBondContact O-N 3.25Å; L343-H345 VanDerWaalsContact O-N 3.16Å; L343-T346 HydrophobicContact CB-CG2 4.25Å; L343-T346 HydrophobicContact CD2-CG2 4.05Å; L343-T346 PolarHBondContact O-N 3.07Å; L343-T346 PolarHBondContact O-OG1 3.21Å
344L88.4Confident77.2Confident14 Ų1456.4 Ų56.47%0.07331%0.308CS..G310 helixtrans-60.3-29.6-178.7-170.862.7000113.1I335 L338 D339 T346 L347 V361 Y365I335-L344 HydrophobicContact CG2-CD1 3.82Å; L338-L344 HydrophobicContact CB-CD1 4.38Å; L338-L344 PolarHBondContact O-N 2.77Å; D339-L344 HydrophobicContact CB-CB 4.44Å; D339-L344 HydrophobicContact CB-CD2 4.19Å; L344-T346 PolarHBondContact O-N 3.26Å; L344-L347 HydrophobicContact CD1-CD1 4.2Å; L344-V361 HydrophobicContact CD2-CG1 3.54Å; L344-Y365 HydrophobicContact CD1-CD1 4.19Å; L344-Y365 HydrophobicContact CD1-CD2 3.71Å; L344-Y365 HydrophobicContact CD1-CE1 4.36Å; L344-Y365 HydrophobicContact CD1-CE2 3.96Å; L344-Y365 HydrophobicContact CD1-CG 3.87Å; L344-Y365 HydrophobicContact CD2-CD2 3.88Å; L344-Y365 HydrophobicContact CD2-CE2 3.41Å; L344-Y365 VanDerWaalsContact CD2-CE2 3.41Å; L344-Y365 HydrophobicContact CG-CD1 4.38Å; L344-Y365 HydrophobicContact CG-CD2 3.88Å; L344-Y365 HydrophobicContact CG-CE1 4.04Å; L344-Y365 HydrophobicContact CG-CE2 3.56Å; L344-Y365 HydrophobicContact CG-CG 4.31Å; L344-Y365 WeakPolarHBondContact O-CE1 3.18Å
345H88.6Confident75.3Confident116 Ų11658.9 Ų58.954%0.53732%0.321SS..G310 helixtrans-69.3-14.9177.168.9-79.8000113.9L316 G342 L343 L347L316-H345 PolarHBondContact O-NE2 2.99Å; L316-H345 VanDerWaalsContact O-NE2 3.11Å; G342-H345 PolarHBondContact O-CE1 2.98Å; G342-H345 PolarHBondContact O-ND1 3.12Å; L343-H345 PolarHBondContact O-N 3.25Å; L343-H345 VanDerWaalsContact O-N 3.16Å; H345-L347 VanDerWaalsContact C-N 3.29Å; H345-L347 PolarHBondContact O-N 2.99Å
346T93.4Very high73.7Confident0 Ų063.4 Ų63.40%035%0.353CS..G310 helixtrans-80.8-9.8-177.269.90000113L316 E317 L318 L319 L343 L344L316-T346 HydrophobicContact CB-CG2 4.25Å; L316-T346 HydrophobicContact CD2-CG2 4.24Å; L316-T346 HydrophobicContact CG-CG2 4.05Å; L316-T346 VanDerWaalsContact O-CG2 3.31Å; L316-T346 WeakPolarHBondContact O-CG2 3.4Å; E317-T346 WeakPolarHBondContact O-CA 3.44Å; L318-T346 CarbonylContact C-O 3.57Å; L318-T346 VanDerWaalsContact CA-O 3.3Å; L318-T346 WeakPolarHBondContact CA-O 3.36Å; L319-T346 WeakPolarHBondContact CB-OG1 3.3Å; L319-T346 PolarHBondContact N-O 2.99Å; L343-T346 HydrophobicContact CB-CG2 4.25Å; L343-T346 HydrophobicContact CD2-CG2 4.05Å; L343-T346 PolarHBondContact O-N 3.07Å; L343-T346 PolarHBondContact O-OG1 3.21Å; L344-T346 PolarHBondContact O-N 3.26Å
347L92.6Very high72.2Confident10 Ų1066.6 Ų66.65%0.05238%0.379CS..SBendtrans-68.6143.1176.9-73.2175.7000111.1I335 L338 L344 H345 N349 Y365 A368 F369I335-L347 HydrophobicContact CG1-CD1 4.19Å; L338-L347 HydrophobicContact CD1-CD1 3.78Å; L338-L347 HydrophobicContact CD1-CD2 3.69Å; L338-L347 HydrophobicContact CD1-CG 3.74Å; L344-L347 HydrophobicContact CD1-CD1 4.2Å; H345-L347 VanDerWaalsContact C-N 3.29Å; H345-L347 PolarHBondContact O-N 2.99Å; L347-N349 PolarHBondContact O-N 3.09Å; L347-Y365 HydrophobicContact CB-CD1 4.15Å; L347-Y365 HydrophobicContact CD1-CD1 3.89Å; L347-Y365 HydrophobicContact CD1-CG 4.14Å; L347-A368 HydrophobicContact CB-CB 4.12Å; L347-A368 HydrophobicContact CD1-CB 4.48Å; L347-A368 HydrophobicContact CD2-CB 4.26Å; L347-F369 HydrophobicContact CD1-CE2 4.18Å; L347-F369 HydrophobicContact CD2-CE2 3.94Å; L347-F369 HydrophobicContact CD2-CZ 3.88Å
348P85.8Confident70.5Confident39 Ų3970 Ų7025%0.25340%0.397SS..PPolyproline II helixtrans-53.4126.8175.5-21.326.7000112.3L318 D320L318-P348 HydrophobicContact CD1-CB 4.29Å; L318-P348 HydrophobicContact CD1-CG 3.88Å; D320-P348 HydrophobicContact CB-CG 4.18Å
349N75.8Confident68.7Low87 Ų8775.9 Ų75.947%0.46544%0.438SS..PPolyproline II helixtrans-94.1129.6175.9-171.2-1.1000110.8L347 N351L347-N349 PolarHBondContact O-N 3.09Å; N349-N351 PolarHBondContact O-N 3.18Å
350P60.4Low67.4Low66 Ų6674.7 Ų74.743%0.42943%0.433SS..SBendtrans-6797.617026.2-33.9000111.6W367P350-W367 HydrophobicContact CG-CB 4.38Å
351N57Low66.6Low149 Ų14978.1 Ų78.180%0.79745%0.454SS*.THydrogen-bonded Turntrans38.688.6164.4-69.6-24.8000115.7N349 K353N349-N351 PolarHBondContact O-N 3.18Å; N351-K353 PolarHBondContact O-N 2.85Å
352D51.4Low65.8Low173 Ų17379.9 Ų79.993%0.92546%0.46SS*.THydrogen-bonded Turntrans44.831.9160.3-86.4-19.5000116.4
353K47.4Very low65.2Low164 Ų16483.2 Ų83.271%0.71346%0.462SS*.  trans-101.8117170.2-73-171.5-177.9-179.60109.4N351 L355N351-K353 PolarHBondContact O-N 2.85Å; K353-L355 PolarHBondContact O-N 3Å
354D50.4Low64.4Low130 Ų13083.1 Ų83.170%0.69546%0.462SS*.  trans-53.6104177.1-160.5-19.8000110.5S356D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.94Å; D354-S356 VanDerWaalsContact O-N 3.14Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.2Å; D354-S356 PolarHBondContact OD1-N 3.32Å; D354-S356 PolarHBondContact OD1-OG 3.29Å
355L49.9Very low64.1Low52 Ų5284.7 Ų84.727%0.27247%0.467SS..G310 helixtrans-69.6-2-177.8-71.2170.9000112.9K353 S357 Y365K353-L355 PolarHBondContact O-N 3Å; L355-S357 PolarHBondContact O-N 3.39Å; L355-Y365 HydrophobicContact CD1-CE1 4.19Å
356S53.8Low63.9Low98 Ų9881.8 Ų81.869%0.68546%0.456SS*.G310 helixtrans-62.7-8-178.258.40000115.5D354D354-S356 VanDerWaalsContact CG-OG 3.23Å; D354-S356 PolarHBondContact O-N 2.94Å; D354-S356 VanDerWaalsContact O-N 3.14Å; D354-S356 VanDerWaalsContact OD1-CB 3.31Å; D354-S356 WeakPolarHBondContact OD1-CB 3.2Å; D354-S356 PolarHBondContact OD1-N 3.32Å; D354-S356 PolarHBondContact OD1-OG 3.29Å
357S47.5Very low63.4Low103 Ų10390.7 Ų90.772%0.7249%0.489SS*.G310 helixtrans-105.2-3.9-173.262.20000116.1L355L355-S357 PolarHBondContact O-N 3.39Å
358I46.9Very low63.1Low74 Ų7490.8 Ų90.838%0.37949%0.491SS..  trans-98114.3177.3-66.7172.8000109.2V360I358-V360 PolarHBondContact O-N 2.87Å; I358-V360 VanDerWaalsContact O-N 3.11Å
359S49.6Very low63.3Low124 Ų12489.7 Ų89.787%0.86748%0.483SS*.SBendtrans-72.5-0.8-171.4650000115.2
360V55Low63.6Low65 Ų6588.7 Ų88.739%0.39448%0.477SS..  trans-125.7101.7173.9-171.50000107.1I358 E362 E363 S364I358-V360 PolarHBondContact O-N 2.87Å; I358-V360 VanDerWaalsContact O-N 3.11Å; V360-E362 HydrophobicContact CG1-CB 4.38Å; V360-E362 PolarHBondContact O-N 3.13Å; V360-E362 VanDerWaalsContact O-N 3.17Å; V360-E363 HydrophobicContact CB-CB 4.34Å; V360-E363 HydrophobicContact CB-CG 4.34Å; V360-E363 HydrophobicContact CG1-CG 4.25Å; V360-E363 PolarHBondContact O-N 3.43Å; V360-S364 PolarHBondContact O-N 3.21Å
361V58.7Low64.2Low83 Ų8393.8 Ų93.850%0.50350%0.495SS..Hα-helixtrans-47.8-46.4-177.4-174.40000110.2L344 E363 S364 Y365L344-V361 HydrophobicContact CD2-CG1 3.54Å; V361-E363 PolarHBondContact O-N 3.45Å; V361-S364 WeakPolarHBondContact O-CB 3.47Å; V361-S364 PolarHBondContact O-N 2.75Å; V361-S364 PolarHBondContact O-OG 3.42Å; V361-Y365 HydrophobicContact CG1-CD2 4.09Å; V361-Y365 HydrophobicContact CG1-CE2 3.64Å; V361-Y365 WeakPolarHBondContact O-CD2 3.42Å
362E59.7Low65.1Low70 Ų7092.4 Ų92.433%0.32749%0.488SS..Hα-helixtrans-59-42.6179.6-64.8-179-178.200114.7Q336 V360 S364 Y365 L366Q336-E362 WeakPolarHBondContact CG-OE1 3.45Å; Q336-E362 PolarHBondContact NE2-OE1 3.23Å; V360-E362 HydrophobicContact CG1-CB 4.38Å; V360-E362 PolarHBondContact O-N 3.13Å; V360-E362 VanDerWaalsContact O-N 3.17Å; E362-S364 PolarHBondContact O-N 2.98Å; E362-Y365 PolarHBondContact O-N 2.83Å; E362-L366 PolarHBondContact O-N 2.73Å
363E67.6Low66.4Low120 Ų12084.5 Ų84.556%0.56145%0.446SS*.Hα-helixtrans-69.1-24.7-178.8-74.1-167.6165.500112.3V360 V361V360-E363 HydrophobicContact CB-CB 4.34Å; V360-E363 HydrophobicContact CB-CG 4.34Å; V360-E363 HydrophobicContact CG1-CG 4.25Å; V360-E363 PolarHBondContact O-N 3.43Å; V361-E363 PolarHBondContact O-N 3.45Å
364S71.5Confident67.9Low8 Ų879 Ų796%0.05644%0.435CS..Hα-helixtrans-74-28.5179.980.20000113.3V360 V361 E362V360-S364 PolarHBondContact O-N 3.21Å; V361-S364 WeakPolarHBondContact O-CB 3.47Å; V361-S364 PolarHBondContact O-N 2.75Å; V361-S364 PolarHBondContact O-OG 3.42Å; E362-S364 PolarHBondContact O-N 2.98Å
365Y83Confident69Low47 Ų4776.1 Ų76.118%0.18443%0.425CS..Hα-helixtrans-93.6-11.1-178.4-69.2-77.7000114.1L344 L347 L355 V361 E362 W367 A368L344-Y365 HydrophobicContact CD1-CD1 4.19Å; L344-Y365 HydrophobicContact CD1-CD2 3.71Å; L344-Y365 HydrophobicContact CD1-CE1 4.36Å; L344-Y365 HydrophobicContact CD1-CE2 3.96Å; L344-Y365 HydrophobicContact CD1-CG 3.87Å; L344-Y365 HydrophobicContact CD2-CD2 3.88Å; L344-Y365 HydrophobicContact CD2-CE2 3.41Å; L344-Y365 VanDerWaalsContact CD2-CE2 3.41Å; L344-Y365 HydrophobicContact CG-CD1 4.38Å; L344-Y365 HydrophobicContact CG-CD2 3.88Å; L344-Y365 HydrophobicContact CG-CE1 4.04Å; L344-Y365 HydrophobicContact CG-CE2 3.56Å; L344-Y365 HydrophobicContact CG-CG 4.31Å; L344-Y365 WeakPolarHBondContact O-CE1 3.18Å; L347-Y365 HydrophobicContact CB-CD1 4.15Å; L347-Y365 HydrophobicContact CD1-CD1 3.89Å; L347-Y365 HydrophobicContact CD1-CG 4.14Å; L355-Y365 HydrophobicContact CD1-CE1 4.19Å; V361-Y365 HydrophobicContact CG1-CD2 4.09Å; V361-Y365 HydrophobicContact CG1-CE2 3.64Å; V361-Y365 WeakPolarHBondContact O-CD2 3.42Å; E362-Y365 PolarHBondContact O-N 2.83Å; Y365-W367 PolarHBondContact O-N 3.16Å; Y365-W367 VanDerWaalsContact O-N 3.08Å; Y365-A368 WeakPolarHBondContact O-CB 3.47Å; Y365-A368 PolarHBondContact O-N 3.15Å
366L84.6Confident69.8Low55 Ų5577.4 Ų77.429%0.28843%0.432SS..G310 helixtrans-56.5-25.7175.2-79.4169.2000112.8V331 I335 E362 A368 F369V331-L366 HydrophobicContact CG1-CD2 3.77Å; I335-L366 HydrophobicContact CD1-CD2 4.13Å; I335-L366 HydrophobicContact CD1-CG 4.28Å; E362-L366 PolarHBondContact O-N 2.73Å; L366-A368 PolarHBondContact O-N 3.02Å; L366-F369 PolarHBondContact O-N 3.16Å; L366-F369 VanDerWaalsContact O-N 3.1Å
367W82.7Confident70.1Confident188 Ų18880.6 Ų80.671%0.71244%0.436SS*.G310 helixtrans-65-18.4177.3-64.388.8000114.6P350 Y365 F369P350-W367 HydrophobicContact CG-CB 4.38Å; Y365-W367 PolarHBondContact O-N 3.16Å; Y365-W367 VanDerWaalsContact O-N 3.08Å; W367-F369 PolarHBondContact O-N 3.1Å
368A86.9Confident70.6Confident11 Ų1178.2 Ų78.29%0.09141%0.414CS..G310 helixtrans-71.2-13.8174.100000112.5L347 Y365 L366L347-A368 HydrophobicContact CB-CB 4.12Å; L347-A368 HydrophobicContact CD1-CB 4.48Å; L347-A368 HydrophobicContact CD2-CB 4.26Å; Y365-A368 WeakPolarHBondContact O-CB 3.47Å; Y365-A368 PolarHBondContact O-N 3.15Å; L366-A368 PolarHBondContact O-N 3.02Å
369F89.2Confident70.9Confident16 Ų1676.8 Ų76.87%0.0742%0.417CS..SBendtrans-120.1115.8-178.4-59.7-88.2000108.9L321 N322 F326 V331 I334 I335 L347 L366 W367 Q373L321-F369 HydrophobicContact CB-CE1 4.08Å; N322-F369 WeakPolarHBondContact OD1-CA 3.2Å; F326-F369 HydrophobicContact CD2-CD1 4.44Å; F326-F369 HydrophobicContact CD2-CE1 4.17Å; F326-F369 HydrophobicContact CE2-CE1 4.03Å; V331-F369 HydrophobicContact CB-CG 4.5Å; V331-F369 HydrophobicContact CG1-CB 3.93Å; V331-F369 HydrophobicContact CG1-CD1 4.26Å; V331-F369 HydrophobicContact CG1-CD2 3.44Å; V331-F369 VanDerWaalsContact CG1-CD2 3.44Å; V331-F369 HydrophobicContact CG1-CE2 3.98Å; V331-F369 HydrophobicContact CG1-CG 3.6Å; V331-F369 HydrophobicContact CG2-CB 4.09Å; V331-F369 HydrophobicContact CG2-CD1 4.07Å; V331-F369 HydrophobicContact CG2-CG 4.02Å; I334-F369 HydrophobicContact CG2-CE1 4.3Å; I334-F369 HydrophobicContact CG2-CE2 4.5Å; I334-F369 HydrophobicContact CG2-CZ 3.69Å; I335-F369 HydrophobicContact CD1-CD2 4.44Å; I335-F369 HydrophobicContact CD1-CE2 4.3Å; I335-F369 HydrophobicContact CG1-CE2 4.02Å; L347-F369 HydrophobicContact CD1-CE2 4.18Å; L347-F369 HydrophobicContact CD2-CE2 3.94Å; L347-F369 HydrophobicContact CD2-CZ 3.88Å; L366-F369 PolarHBondContact O-N 3.16Å; L366-F369 VanDerWaalsContact O-N 3.1Å; W367-F369 PolarHBondContact O-N 3.1Å; F369-Q373 HydrophobicContact CB-CG 4.38Å
370D83.3Confident71Confident66 Ų6678 Ų7835%0.35341%0.409SS..  trans-69.7169.6174.2-66.7-41.2000110N322 D372 Q373 K459N322-D370 PolarHBondContact ND2-OD2 3.12Å; N322-D370 PolarHBondContact OD1-N 2.99Å; D370-D372 PolarHBondContact O-N 3.06Å; D370-D372 VanDerWaalsContact O-N 3.1Å; D370-Q373 VanDerWaalsContact O-CG 3.24Å; D370-Q373 WeakPolarHBondContact O-CG 3.49Å; D370-Q373 PolarHBondContact O-NE2 3.1Å; D370-K459 IonicContact OD1-NZ 3.3Å; D370-K459 PolarHBondContact OD1-NZ 3.42Å; D370-K459 IonicContact OD2-NZ 2.68Å
371E72.3Confident70.8Confident173 Ų17376 Ų7681%0.80840%0.396SS*.SBendtrans-64.4-18.5-173.2-65.6-168.3173.300114.9Q373E371-Q373 PolarHBondContact O-N 3.39Å; E371-Q373 VanDerWaalsContact O-N 3.16Å
372D75.3Confident70Confident120 Ų12079.3 Ų79.364%0.64241%0.411SS*.  trans-87.874.5-176.7-162.68.5000111.5D370D370-D372 PolarHBondContact O-N 3.06Å; D370-D372 VanDerWaalsContact O-N 3.1Å
373Q79.2Confident69.2Low8 Ų879 Ų794%0.03741%0.41CS..  trans-108.922.4-179.6-57-64.4-4600112.6N322 N324 E325 F326 G327 V331 F369 D370 E371N322-Q373 PolarHBondContact OD1-NE2 3.38Å; N324-Q373 CarbonylContact O-C 3.59Å; N324-Q373 WeakPolarHBondContact O-CA 3.37Å; N324-Q373 VanDerWaalsContact O-O 3.08Å; E325-Q373 CarbonylContact C-O 3.42Å; E325-Q373 WeakPolarHBondContact CA-O 3.36Å; F326-Q373 PolarHBondContact N-O 3.28Å; G327-Q373 WeakPolarHBondContact CA-O 3.49Å; G327-Q373 PolarHBondContact N-O 3.35Å; V331-Q373 HydrophobicContact CG2-CB 4.17Å; V331-Q373 HydrophobicContact CG2-CG 3.76Å; F369-Q373 HydrophobicContact CB-CG 4.38Å; D370-Q373 VanDerWaalsContact O-CG 3.24Å; D370-Q373 WeakPolarHBondContact O-CG 3.49Å; D370-Q373 PolarHBondContact O-NE2 3.1Å; E371-Q373 PolarHBondContact O-N 3.39Å; E371-Q373 VanDerWaalsContact O-N 3.16Å
374G79.5Confident67.9Low47 Ų4778.7 Ų78.749%0.48542%0.416SS..  trans60.7-152.8-173.300000113.4
375S73Confident66.2Low70 Ų7086.1 Ų86.149%0.4946%0.455SS..  trans-102.5151.1-173.799.10000112.7Q377S375-Q377 PolarHBondContact O-N 2.95Å; S375-Q377 VanDerWaalsContact O-N 3.17Å; S375-Q377 PolarHBondContact OG-N 3.19Å; S375-Q377 VanDerWaalsContact OG-N 3.12Å; S375-Q377 PolarHBondContact OG-O 3.1Å
376D66Low64.2Low80 Ų8090.2 Ų90.243%0.42848%0.476SS..SBendtrans-68.2-6.8172.1-67.6-51.4000113.2G327 R328 S329G327-D376 VanDerWaalsContact CA-OD1 3.27Å; G327-D376 WeakPolarHBondContact CA-OD1 3.44Å; R328-D376 PolarHBondContact N-OD1 3.01Å; S329-D376 WeakPolarHBondContact CB-OD1 3.31Å; S329-D376 PolarHBondContact N-OD1 3.48Å; S329-D376 PolarHBondContact OG-OD1 2.95Å
377Q60.2Low61.7Low164 Ų16490.8 Ų90.877%0.76650%0.495SS*.SBendtrans-99.1118.5178.9-62.8-169.59.200110.4S375 G379S375-Q377 PolarHBondContact O-N 2.95Å; S375-Q377 VanDerWaalsContact O-N 3.17Å; S375-Q377 PolarHBondContact OG-N 3.19Å; S375-Q377 VanDerWaalsContact OG-N 3.12Å; S375-Q377 PolarHBondContact OG-O 3.1Å; Q377-G379 PolarHBondContact O-N 3.31Å
378E58.3Low59.7Low54 Ų5487.1 Ų87.125%0.25249%0.486SS..  trans-74.193.6166.5-67-169.6169.100108.5K299 S301K299-E378 HydrophobicContact CB-CG 4.38Å; K299-E378 HydrophobicContact CD-CB 4.49Å; K299-E378 HydrophobicContact CD-CG 4.46Å; S301-E378 WeakPolarHBondContact CB-OE1 3.41Å; S301-E378 PolarHBondContact N-OE1 3.23Å; S301-E378 PolarHBondContact OG-OE1 3.05Å
379G54.1Low57.2Low43 Ų4396 Ų9644%0.44353%0.525SS..  trans-54.2162.8165.700000111.2K299 Q377 D381K299-G379 PolarHBondContact NZ-O 3.21Å; Q377-G379 PolarHBondContact O-N 3.31Å; G379-D381 PolarHBondContact O-N 3.02Å
380E51.7Low54.8Low151 Ų151101.9 Ų101.971%0.70655%0.553SS**  trans-52.4135.3167.9-69.9-172.8-173.800108.4K299 D382K299-E380 PolarHBondContact NZ-O 3.48Å; E380-D382 PolarHBondContact O-N 2.82Å
381D49.8Very low52.6Low22 Ų22106.4 Ų106.412%0.11858%0.578CS.*  trans-61.6106.9173-55.1-52000105.3K299 G379 E383K299-D381 WeakPolarHBondContact CD-OD1 3.15Å; K299-D381 WeakPolarHBondContact CE-OD1 3.47Å; K299-D381 IonicContact NZ-OD1 3.2Å; K299-D381 PolarHBondContact NZ-OD1 3.16Å; G379-D381 PolarHBondContact O-N 3.02Å; D381-E383 HydrophobicContact CB-CB 4.41Å; D381-E383 HydrophobicContact CB-CG 3.92Å; D381-E383 PolarHBondContact O-N 2.85Å
382D41.4Very low50.9Low152 Ų152103.7 Ų103.781%0.81357%0.572SS**  trans-68.560.8169.5-77.2-27.3000107.4E380E380-D382 PolarHBondContact O-N 2.82Å
383E43.8Very low48.9Very low64 Ų64104.2 Ų104.230%0.29958%0.575SS.*  trans-88.4115.2-179.3-82.4-176-153.300108.9T270 D381T270-E383 PolarHBondContact OG1-OE1 3.01Å; T270-E383 PolarHBondContact OG1-OE2 2.62Å; D381-E383 HydrophobicContact CB-CB 4.41Å; D381-E383 HydrophobicContact CB-CG 3.92Å; D381-E383 PolarHBondContact O-N 2.85Å
384T41.1Very low46.7Very low114 Ų114110.9 Ų110.970%0.69961%0.611SS**  trans74.384.4160.266.40000116.3
385N35.1Very low44.4Very low164 Ų164114.1 Ų114.188%0.87762%0.617SS**  trans-121.837.3141-152.426.8000109.9G387N385-G387 PolarHBondContact O-N 3.29Å
386E41.6Very low42.6Very low132 Ų132119.1 Ų119.162%0.61764%0.639SS**  trans-77.883.5158.9-70.5-173.5-165.400105.7E388E386-E388 VanDerWaalsContact C-N 3.26Å; E386-E388 PolarHBondContact O-N 2.9Å
387G32.2Very low41Very low67 Ų67119.2 Ų119.269%0.69165%0.65SS**  trans-67.288173.400000109.2N385N385-G387 PolarHBondContact O-N 3.29Å
388E39.2Very low39.5Very low112 Ų112120.7 Ų120.752%0.52366%0.657SS.*  trans-125.591.9155.1-70.7-175.8176.800105.9E386 E390E386-E388 VanDerWaalsContact C-N 3.26Å; E386-E388 PolarHBondContact O-N 2.9Å; E388-E390 PolarHBondContact O-N 3.31Å
389E34.5Very low38.1Very low196 Ų196127.1 Ų127.192%0.91669%0.687SS**  trans-60.787156.4-70.4-177.9178.800106.8
390E39.2Very low36.9Very low140 Ų140136 Ų13665%0.65471%0.709SS**  trans-117.8108160.1-70.1-161.9169.100107.7E388 V392E388-E390 PolarHBondContact O-N 3.31Å; E390-V392 VanDerWaalsContact C-N 3.26Å; E390-V392 PolarHBondContact O-N 3.09Å
391D36.6Very low35.8Very low162 Ų162136.3 Ų136.387%0.86672%0.716SS**  trans-56.889.2168.5-69.1-47.9000108.6D393D391-D393 PolarHBondContact O-N 2.73Å
392V36.2Very low34.8Very low115 Ų115141.4 Ų141.470%0.69774%0.743SS**  trans-73.686.9168.5-174.30000106.9E390 N394E390-V392 VanDerWaalsContact C-N 3.26Å; E390-V392 PolarHBondContact O-N 3.09Å; V392-N394 PolarHBondContact O-N 3.38Å
393D34.7Very low34.4Very low131 Ų131139.4 Ų139.470%0.70174%0.741SS**  trans-60104.9171.4-125.2-9.9000108.4D391 N395D391-D393 PolarHBondContact O-N 2.73Å; D393-N395 PolarHBondContact O-N 2.81Å
394N32.5Very low33.6Very low148 Ų148147 Ų14779%0.79177%0.767SS**  trans-66.883.2170-84.5-40.2000109V392V392-N394 PolarHBondContact O-N 3.38Å
395N32.2Very low33Very low115 Ų115146.5 Ų146.562%0.61577%0.768SS**  trans-119.578.7167.7-72.8-45.2000109.3D393 A397D393-N395 PolarHBondContact O-N 2.81Å; N395-A397 PolarHBondContact O-N 3.11Å
396D34.5Very low32.7Very low176 Ų176149.9 Ų149.994%0.94177%0.768SS**  trans-63.784.8148.6-75.9-36.6000107.6
397A31.6Very low32Very low81 Ų81154.1 Ų154.167%0.66978%0.78SS**  trans-148.4104.8166.400000109.3N395 E399N395-A397 PolarHBondContact O-N 3.11Å; A397-E399 PolarHBondContact O-N 2.88Å
398E29.3Very low32.1Very low196 Ų196154.7 Ų154.792%0.91679%0.786SS**  trans-47.1130.1159.4-54.7-172.1173.300110.2
399E27.9Very low31.7Very low189 Ų189155.7 Ų155.788%0.88380%0.795SS**  172.1136.6118.6-149.7162-158.800110A397A397-E399 PolarHBondContact O-N 2.88Å
400Y30Very low31.6Very low230 Ų230153.3 Ų153.390%0.90279%0.788SS**  trans-69.8139.2-178.9-67.2-98.9000112.4
401D28.7Very low31.3Very low157 Ų157152.8 Ų152.884%0.8479%0.79SS**  trans-159.2135.5133-154.21.5000113.2
402D29.1Very low31.1Very low129 Ų129151.2 Ų151.269%0.6978%0.782SS**  trans-83124.9-178.716522.5000110.5R404D402-R404 PolarHBondContact OD1-N 2.86Å
403S33.5Very low30.8Very low110 Ų110153.8 Ų153.877%0.76979%0.786SS**  trans-151.587.8157.342.30000113.6
404R26.3Very low30.7Very low224 Ų224159.1 Ų159.185%0.84580%0.796SS**  trans41.6132.8130.4-77.4-178.61711550.5122D402D402-R404 PolarHBondContact OD1-N 2.86Å
405S27.2Very low30.6Very low103 Ų103160.5 Ų160.572%0.7280%0.798SS**  trans88.9136.5140.9112.60000115.4
406R29.9Very low30.6Very low234 Ų234162.5 Ų162.588%0.88381%0.809SS**  cis-166.3145.230-124.2163.4-170.9177.93108.8
407Y26.7Very low30.2Very low222 Ų222162.6 Ų162.687%0.87180%0.803SS**  trans-58.6148173.7-67.8-92.3000114
408G34.1Very low30.2Very low78 Ų78164.9 Ų164.980%0.80481%0.809SS**  trans-159.580.5164.500000108.9
409D30Very low30.1Very low133 Ų133163.3 Ų163.371%0.71181%0.807SS**  trans-65.7148.3160.1-68-45.5000109.2
410D34Very low30.3Very low147 Ų147160.9 Ų160.979%0.78681%0.805SS**  trans175.9104.6136.3-83.2-16.8000110.1
411D33.2Very low30.2Very low129 Ų129156.4 Ų156.469%0.6980%0.802SS**  62.6114.9124.2-60-9.2000123.1
412D31.2Very low30.2Very low129 Ų129153.9 Ų153.969%0.6980%0.797SS**  82.3114.6118-67.9-15.8000123.2
413E30.5Very low30.3Very low169 Ų169155.8 Ų155.879%0.7981%0.807SS**  58.5120.8125.7-61-170.2168.500119.8
414R32.7Very low29.9Very low243 Ų243159.2 Ų159.292%0.91781%0.811SS**  -170.6103.9122.8-100.1163.6-149-154.27111.8
415E29.8Very low30.1Very low177 Ų177158.1 Ų158.183%0.82781%0.812SS**  trans-65.2132.4162.4-67.1-178154.300110.6
416N32.2Very low30Very low157 Ų157162.8 Ų162.884%0.8482%0.823SS**  trans-119.1108.9164.1-90.7-28000108.8
417Q27Very low29.8Very low177 Ų177156.5 Ų156.583%0.82782%0.815SS**  trans-71132.7167.3-69.3173.1-4.800110
418T30.6Very low29.9Very low130 Ų130152.8 Ų152.880%0.79882%0.815SS**  trans-135.9113.9157.851.10000110.2
419D26.6Very low29.5Very low162 Ų162156.6 Ų156.687%0.86682%0.817SS**  trans-54.2130.3166.7-83.2-46.1000112.2
420T32Very low29.2Very low138 Ų138159 Ų15985%0.84782%0.821SS**  trans-128116.5155.346.60000109.6
421T29.7Very low28.9Very low137 Ų137156.1 Ų156.184%0.8481%0.812SS**  trans-63.4141.5-176.440.90000113.8
422S28.1Very low28.6Very low104 Ų104158 Ų15873%0.72782%0.815SS**  trans-64127.5178.556.30000114.3
423D30.6Very low28.4Very low169 Ų169162.5 Ų162.590%0.90482%0.822SS**  trans-105.4124.1157.8-93.8-28.7000110.2
424Q25.4Very low28.5Very low182 Ų182163 Ų16385%0.8583%0.825SS**  trans-75.2121.5-174.3-63.3173.4-14.500110.5
425K29.8Very low28.4Very low201 Ų201154.9 Ų154.987%0.87481%0.809SS**  trans-125.9111.8157-83.8-175178.6175.40108.9S427K425-S427 PolarHBondContact O-N 3.17Å
426E26.3Very low28.2Very low200 Ų200155.3 Ų155.394%0.93581%0.809SS**  trans-62.3111.2175.6-65.2174149.200110.2
427S26.4Very low28.3Very low102 Ų102152.9 Ų152.971%0.71380%0.804SS**  trans-109.3119.9164.259.70000109.1K425 N429K425-S427 PolarHBondContact O-N 3.17Å; S427-N429 PolarHBondContact O-N 2.93Å; S427-N429 VanDerWaalsContact O-N 3.15Å
428V27.1Very low28.6Very low145 Ų145153.2 Ų153.288%0.87980%0.803SS**  trans-59.1109.6-178.3179.40000110.2F430V428-F430 PolarHBondContact O-N 3.44Å
429N27Very low28.5Very low158 Ų158157 Ų15785%0.84581%0.809SS**  trans-72.9105.9176.8-97.1-29.4000110.8S427S427-N429 PolarHBondContact O-N 2.93Å; S427-N429 VanDerWaalsContact O-N 3.15Å
430F23.8Very low28.5Very low183 Ų183152.1 Ų152.180%0.80380%0.797SS**  trans-93.9109.1165.2-158.2-94.8000108.5V428V428-F430 PolarHBondContact O-N 3.44Å
431S27.7Very low28.2Very low86 Ų86152.5 Ų152.560%0.60180%0.799SS**  trans-107.3122.5-177.4141.70000110.3R433S431-R433 PolarHBondContact O-N 3.31Å
432F25.8Very low28Very low168 Ų168154 Ų15474%0.73780%0.8SS**G310 helixtrans-63.62.7-176.8-91.8-91.2000116.2E434F432-E434 VanDerWaalsContact C-N 3.32Å; F432-E434 PolarHBondContact O-N 2.86Å
433R28.5Very low27.8Very low225 Ų225152.5 Ų152.585%0.84980%0.801SS**G310 helixtrans-74.6-14.4-173.8-150.9173.4-179170.11.4114.7S431S431-R433 PolarHBondContact O-N 3.31Å
434E32.3Very low27.4Very low179 Ų179148.6 Ų148.684%0.83680%0.8SS**G310 helixtrans-92.5-4-179.6-76.5-170.4152.100115.2F432F432-E434 VanDerWaalsContact C-N 3.32Å; F432-E434 PolarHBondContact O-N 2.86Å
435A29.1Very low27.3Very low72 Ų72143.9 Ų143.960%0.59580%0.801SS**SBendtrans-83.9-16179.200000114.5
436F27.2Very low26.9Very low186 Ų186137.9 Ų137.982%0.81680%0.796SS**SBendtrans-960.9-170.3-81.5-78.3000116.1K438F436-K438 PolarHBondContact O-N 3.2Å
437S33.1Very low26.7Very low107 Ų107134.3 Ų134.375%0.74879%0.792SS**THydrogen-bonded Turntrans-90.515.4-178.255.20000115.4
438K33.4Very low26.5Very low184 Ų184138.1 Ų138.180%0.880%0.803SS**THydrogen-bonded Turntrans-122.48.6-174.6-102.3-174.1-177.8178.80119.5F436F436-K438 PolarHBondContact O-N 3.2Å
439F28.4Very low26.4Very low210 Ų210137 Ų13792%0.92180%0.797SS**  trans-107.688.3172.3-79.5-81.4000111.9
440G27.1Very low26.2Very low59 Ų59135.3 Ų135.361%0.60880%0.795SS**  trans-69.2138.9165.600000112
441T25.5Very low26.1Very low145 Ų145135.2 Ų135.289%0.8979%0.794SS**  trans10.7102.1145.4-23.50000117.1
442I26.2Very low25.9Very low169 Ų169138 Ų13887%0.86780%0.802SS**  trans-133.3111.1152.7-58.3-178.7000107.2
443G22.8Very low25.8Very low73 Ų73137 Ų13775%0.75380%0.799SS**  trans-87166.9176.100000113.1
444G23Very low25.5Very low86 Ų86133.5 Ų133.589%0.88780%0.798SS**  trans115.1118.5150.500000115.6
445G22.5Very low25.2Very low83 Ų83131.2 Ų131.286%0.85679%0.79SS**  trans119.298.515200000113.9
446G21.4Very low24.9Very low76 Ų76135.1 Ų135.178%0.78480%0.796SS**  trans-75.1152.2-176.200000114.6
447C22.1Very low24.8Very low125 Ų125131.5 Ų131.585%0.84578%0.784SS**  trans-145.1134.7142-96.70000107.2T449C447-T449 PolarHBondContact O-N 3.42Å
448L22.5Very low24.4Very low181 Ų181132.8 Ų132.895%0.94878%0.782SS**  trans-82.7107.7-173.9-66162.1000108.5
449T24.8Very low23.9Very low123 Ų123131.6 Ų131.676%0.75578%0.777SS**  trans-132.9146.6161.347.50000108.5C447C447-T449 PolarHBondContact O-N 3.42Å
450P23.6Very low23.9Very low122 Ų122125.6 Ų125.679%0.79276%0.76SS**  trans-71.2140.3-155.228.4-32.7000111.5N452P450-N452 PolarHBondContact O-N 3.4Å
451K20.9Very low23.8Very low180 Ų180125.8 Ų125.878%0.78376%0.761SS**  trans-60.390.8175.9-65175.8175.1-178.60109.8E453K451-E453 PolarHBondContact O-N 2.93Å
452N23.3Very low24Very low144 Ų144123.8 Ų123.877%0.7775%0.751SS**  trans-72.6118.7152.6-91.8-2.5000106.6P450 N454P450-N452 PolarHBondContact O-N 3.4Å; N452-N454 PolarHBondContact O-N 3.33Å
453E23.7Very low24Very low147 Ų147125.6 Ų125.669%0.68775%0.753SS**  trans-57.9125176.7-68.5-177.9155.200108.7K451 I455K451-E453 PolarHBondContact O-N 2.93Å; E453-I455 PolarHBondContact O-N 3.46Å
454N23.5Very low24.1Very low153 Ų153125.4 Ų125.482%0.81875%0.75SS**  trans-59.696.4-175.8-71.1-48.1000110.9N452 Q456N452-N454 PolarHBondContact O-N 3.33Å; N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact O-N 2.91Å; N454-Q456 VanDerWaalsContact O-N 3.15Å
455I24.4Very low24.2Very low130 Ų130128 Ų12867%0.66775%0.75SS**  trans-77.791.7155.3-58.3177.3000105.4E453 I457E453-I455 PolarHBondContact O-N 3.46Å; I455-I457 PolarHBondContact O-N 2.87Å
456Q23Very low24.2Very low154 Ų154133.5 Ų133.572%0.7275%0.753SS**  trans-63.6100.7170-85.2-175.3-18.800108.5N454 N458N454-Q456 VanDerWaalsContact C-N 3.3Å; N454-Q456 PolarHBondContact O-N 2.91Å; N454-Q456 VanDerWaalsContact O-N 3.15Å; Q456-N458 PolarHBondContact O-N 2.93Å
457I24.8Very low24.2Very low110 Ų110135.3 Ų135.356%0.56475%0.753SS**  trans-66.497.2167-56.7173.2000106.5I455 K459I455-I457 PolarHBondContact O-N 2.87Å; I457-K459 PolarHBondContact O-N 2.91Å
458N25.4Very low24.3Very low134 Ų134137.8 Ų137.872%0.71776%0.757SS**PPolyproline II helixtrans-73120.5175.5-81-35.9000109.2Q456Q456-N458 PolarHBondContact O-N 2.93Å
459K23Very low24.2Very low159 Ų159132.5 Ų132.569%0.69175%0.746SS**PPolyproline II helixtrans-64.6126.8175.2-69.3-167.9168.9-147.50110.5D370 I457D370-K459 IonicContact OD1-NZ 3.3Å; D370-K459 PolarHBondContact OD1-NZ 3.42Å; D370-K459 IonicContact OD2-NZ 2.68Å; I457-K459 PolarHBondContact O-N 2.91Å
460P29.4Very low24Very low85 Ų85134.1 Ų134.155%0.55275%0.75SS**PPolyproline II helixtrans-73.6146.5-178.7-10.225.8000112
461G24.3Very low24.1Very low62 Ų62139 Ų13964%0.63976%0.759SS**PPolyproline II helixtrans-91.2162.3178.100000113F463G461-F463 PolarHBondContact O-N 3.48Å
462P29.7Very low24.1Very low104 Ų104136.1 Ų136.168%0.67576%0.761SS**  trans-91.8105.3-167.833.9-29.1000111
463F26.4Very low24.1Very low207 Ų207132.5 Ų132.591%0.90876%0.758SS**  trans-144.295.3163.3-75.3-69.5000111.7G461G461-F463 PolarHBondContact O-N 3.48Å
464G25.6Very low24Very low68 Ų68133.4 Ų133.470%0.70177%0.766SS**  trans-84.3132.1166.700000112.8
465T24.9Very low24Very low142 Ų142130.9 Ų130.987%0.87176%0.76SS**  trans29.8129.6136.359.40000121
466Q20.7Very low24.1Very low198 Ų198130.3 Ų130.393%0.92577%0.765SS**  trans-116.4122.7154.6-74.5-174.6-1.100110.5
467S22Very low24Very low113 Ų113131 Ų13179%0.7977%0.768SS**  trans-78137.3174.1700000111.6
468L23.5Very low24Very low178 Ų178133.4 Ų133.493%0.93278%0.782SS**  trans-130.7120.4159.2-83.4167.9000108.9
469G21.3Very low24Very low69 Ų69132.7 Ų132.771%0.71178%0.782SS**  trans-102.6-17417900000114
470L20.9Very low24.1Very low158 Ų158132.4 Ų132.483%0.82779%0.789SS**  trans79.788.9166.9-58.2172.7000117
471F25.2Very low23.9Very low224 Ų224134.6 Ų134.698%0.98280%0.801SS**  -148118128.5-85.3-69.3000110.8
472S21.4Very low24Very low120 Ų120138.2 Ų138.284%0.83981%0.81SS**  trans-95.9139.6170.143.40000109.2
473G22.2Very low23.8Very low68 Ų68141.5 Ų141.570%0.70182%0.822SS**  trans166.4101165.900000117.9
474I23.4Very low23.8Very low166 Ų166136.6 Ų136.685%0.85182%0.82SS**  trans88.696.8142.6-51.5165000117.1
475S23.1Very low23.7Very low99 Ų99136.3 Ų136.369%0.69282%0.817SS**  trans-55.8142154.4177.30000112.7
476P25.3Very low23.7Very low119 Ų119135.9 Ų135.977%0.77381%0.814SS**  trans-114.9120.614423.9-7.3000109.7
477Q22.4Very low24Very low169 Ų169135 Ų13579%0.7981%0.814SS**  trans-61.7137.4157.9-62.1-172.7-900109.1
478N25Very low24Very low160 Ų160140.3 Ų140.386%0.85682%0.817SS**  -158.3118.3128.6-96.8-20.3000109.9
479T24.1Very low24.1Very low118 Ų118136.7 Ų136.772%0.72481%0.806SS**  trans-57.6134.2160.549.50000109.7
480D25.1Very low24.3Very low153 Ų153143 Ų14382%0.81881%0.814SS**  trans-153.4111.8138.3-96.1-28.8000110.8
481T25.4Very low24.4Very low132 Ų132143.3 Ų143.381%0.8182%0.816SS**  trans-63.8125.1168.146.90000110.1
482T26.4Very low24.3Very low137 Ų137144.2 Ų144.284%0.8481%0.813SS**  trans-137.1121.915829.70000111.4A484T482-A484 PolarHBondContact O-N 3.02Å
483D25.5Very low24.6Very low173 Ų173143.4 Ų143.493%0.92580%0.804SS**  trans-50.9124.4170.7-80.2-51.7000112.1
484A26.1Very low24.8Very low105 Ų105145.9 Ų145.987%0.86881%0.811SS**  trans-134.752.8158.300000110T482T482-A484 PolarHBondContact O-N 3.02Å
485G23.6Very low25Very low62 Ų62143.8 Ų143.864%0.63981%0.811SS**  trans-78.2142.215700000110
486V25.4Very low25Very low132 Ų132142.1 Ų142.180%0.881%0.81SS**  trans92.378.4166.6-161.70000116
487I26Very low25Very low181 Ų181143.7 Ų143.793%0.92881%0.811SS**  -128.189.4129.3-59.2-174.8000107.6
488R23.1Very low25.2Very low223 Ų223145.3 Ų145.384%0.84282%0.816SS**  trans-85.3137.9169-106.2-174.6-175.2-141.51.4109.9
489S26.1Very low25Very low102 Ų102145 Ų14571%0.71381%0.814SS**  trans61104.3145.265.80000117.8
490K24Very low25Very low203 Ų203148.3 Ų148.388%0.88382%0.819SS**  trans-165.8127137-103.1166-169.5-177.30107.3
491L23.7Very low24.8Very low163 Ų163143.8 Ų143.885%0.85381%0.808SS**  trans132.381.2160.9-70.9157.4000111.2
492W23.1Very low24.7Very low244 Ų244145.5 Ų145.592%0.92481%0.812SS**  -164.9122.8119.4-132.8-83.7000109.3
493P28.5Very low24.6Very low102 Ų102144.6 Ų144.666%0.66281%0.811SS**  trans-82141.8-177.129.3-25.5000111.4S495P493-S495 PolarHBondContact O-N 3.43Å
494S25.3Very low24.7Very low120 Ų120141.2 Ų141.284%0.83981%0.808SS**  trans-44107.9169.146.60000113.9G496S494-G496 PolarHBondContact O-N 3.39Å
495S28.8Very low24.6Very low122 Ų122143.6 Ų143.685%0.85381%0.806SS**  trans-77.3104.916110.60000108.9P493P493-S495 PolarHBondContact O-N 3.43Å
496G23Very low24.7Very low64 Ų64145.6 Ų145.666%0.6681%0.806SS**  trans-81.4171.7172.900000113.7S494S494-G496 PolarHBondContact O-N 3.39Å
497L24.3Very low24.8Very low153 Ų153149 Ų14980%0.80181%0.81SS**  trans76.390.7154.7-61.9165.9000117.9
498F25.8Very low24.9Very low203 Ų203151.4 Ų151.489%0.8981%0.807SS**  -141.6109.9127.7-83.6-72.3000109.9
499N20.9Very low25.3Very low152 Ų152148 Ų14881%0.81381%0.806SS**  trans-108.2108.4-179.8-158.912.5000106.4
500F24.2Very low25.7Very low189 Ų189150.8 Ų150.883%0.82981%0.812SS**  trans-120.896.3166.6-88.6-79000107.8
501G21Very low26Very low58 Ų58150.6 Ų150.660%0.59881%0.811SS**  trans-76.9138.5155.400000108.8
502D24.6Very low26.3Very low167 Ų167148.1 Ų148.189%0.89381%0.808SS**  trans-159.7120.4134.5-110.2-19.9000110.5
503S23.4Very low26.5Very low118 Ų118141.8 Ų141.883%0.82580%0.798SS**  trans-78.4129.3169.171.70000109.1
504A27.3Very low26.4Very low103 Ų103143 Ų14385%0.85181%0.806SS**  trans-142.9108.2163.100000111.2
505N25Very low26.7Very low154 Ų154145.2 Ų145.282%0.82481%0.807SS**  trans-61.9136.6175.8-105.6-34.3000113.4
506T25.2Very low26.5Very low104 Ų104147.5 Ų147.564%0.63881%0.809SS**  trans39.2108.113615.80000119.2
507K27.9Very low26.6Very low205 Ų205149.4 Ų149.489%0.89181%0.812SS**  trans-128.9101.1146.2-79.2-173.5178.7176.30109.8
508R28.4Very low26.8Very low230 Ų230150.1 Ų150.187%0.86882%0.816SS**  trans-73.7127170.9-80.9177.8164.3152.5-4.3109.3
509N31.3Very low26.8Very low153 Ų153149.8 Ų149.882%0.81881%0.814SS**  trans-78.6136.3174.7-77.2-25.9000111.2F511N509-F511 PolarHBondContact O-N 3.33Å
510L33.7Very low27.1Very low159 Ų159146.8 Ų146.883%0.83281%0.81SS**SBendtrans-90.930.2-161.9-114.3157.6000114.6
511F31.6Very low27.2Very low200 Ų200144.9 Ų144.988%0.87781%0.814SS**  trans-148.858.5-178.3-72.2-74.7000114.2N509N509-F511 PolarHBondContact O-N 3.33Å
512S29.4Very low27.5Very low111 Ų111145.2 Ų145.278%0.77682%0.818SS**  trans-107.3125.5165.6-57.70000110.1
513P27.7Very low27.6Very low111 Ų111146.4 Ų146.472%0.72182%0.818SS**PPolyproline II helixtrans-71.4159.6-175.528.6-31.6000112.3
514P26.7Very low27.9Very low128 Ų128147 Ų14783%0.83182%0.816SS**PPolyproline II helixtrans-79127.5-161.729.7-30.5000112.4L516P514-L516 PolarHBondContact O-N 3.5Å
515I29.9Very low28.2Very low166 Ų166147.9 Ų147.985%0.85181%0.811SS**PPolyproline II helixtrans-80.8116.2176.1-59.1171.6000108.4S517I515-S517 PolarHBondContact O-N 2.8Å
516L26.1Very low28.5Very low170 Ų170147.5 Ų147.589%0.8981%0.808SS**PPolyproline II helixtrans-59.8117.5173.4-88.7152.1000110.4P514 N518P514-L516 PolarHBondContact O-N 3.5Å; L516-N518 PolarHBondContact O-N 2.67Å
517S25.4Very low29.4Very low104 Ų104150.4 Ų150.473%0.72782%0.815SS**  trans-69.3111.4178.963.40000111.1I515I515-S517 PolarHBondContact O-N 2.8Å
518N28.3Very low30.7Very low167 Ų167149.1 Ų149.189%0.89381%0.809SS**  trans-90.2114.5158-89.8-16.5000109L516L516-N518 PolarHBondContact O-N 2.67Å
519K24.9Very low32.4Very low197 Ų197147.8 Ų147.886%0.85781%0.81SS**  trans-66.6135.3172.8-82.6177.7171.2177.70110.5
520A26.4Very low34.3Very low88 Ų88141.6 Ų141.673%0.72778%0.777SS**  trans57.9107.9139.300000118
521V26.6Very low36.8Very low150 Ų150137.9 Ų137.991%0.90976%0.758SS**  161.8113.494.6170.90000106.5
522G27.2Very low39.4Very low65 Ų65133.2 Ų133.267%0.6774%0.738SS**  trans-179110.4171.300000108.5V524G522-V524 PolarHBondContact O-N 2.95Å
523Q26.3Very low42.2Very low192 Ų192134 Ų13490%0.89773%0.734SS**  trans-51.3122.2178.7-76.3165.7-46.100110.1V525Q523-V525 PolarHBondContact O-N 3.32Å
524V29.7Very low45.2Very low129 Ų129133.2 Ų133.278%0.78272%0.719SS**  trans-69.1101.3171.6179.40000106.7G522 D526G522-V524 PolarHBondContact O-N 2.95Å; V524-D526 PolarHBondContact O-N 3.42Å
525V34.1Very low48.2Very low123 Ų123127.1 Ų127.175%0.74568%0.68SS**  trans-70.4115.6161.3179.80000105.2Q523 E527Q523-V525 PolarHBondContact O-N 3.32Å; V525-E527 PolarHBondContact O-N 2.91Å
526D32.5Very low51.1Low145 Ų145124.6 Ų124.678%0.77566%0.66SS**  trans-55103.8172.8-79-42.7000108.8V524 K528V524-D526 PolarHBondContact O-N 3.42Å; D526-K528 PolarHBondContact O-N 3.06Å
527E42.7Very low54.3Low165 Ų165122.4 Ų122.477%0.77165%0.645SS**  trans-62.1109.6169.8-76.1-171.1150.500107.2V525 K529 K566V525-E527 PolarHBondContact O-N 2.91Å; E527-K529 PolarHBondContact O-N 2.85Å; E527-K566 IonicContact OE1-NZ 3.97Å
528K54.8Low57.5Low179 Ų179118.4 Ų118.478%0.77862%0.615SS**  trans-55.8106.4173.5-76.4-177.2178.2177.80108.5D526D526-K528 PolarHBondContact O-N 3.06Å
529K65.3Low60.6Low201 Ų201110.4 Ų110.487%0.87457%0.572SS**  trans-67.8131.1174.3-157.8177.5-178-172.90108.8E527E527-K529 PolarHBondContact O-N 2.85Å
530L71.3Confident63.9Low24 Ų24102.8 Ų102.813%0.12654%0.541CS..  trans-64.6136.6178.6-176.183.8000110.6E532 L535 F558 Y564L530-E532 HydrophobicContact CD2-CG 4.24Å; L530-E532 PolarHBondContact O-N 3.41Å; L530-E532 VanDerWaalsContact O-N 3.17Å; L530-L535 HydrophobicContact CD2-CB 4.16Å; L530-L535 HydrophobicContact CD2-CD2 3.59Å; L530-L535 HydrophobicContact CD2-CG 4.49Å; L530-F558 HydrophobicContact CD1-CE1 4Å; L530-F558 HydrophobicContact CD1-CZ 3.93Å; L530-Y564 HydrophobicContact CB-CD2 3.58Å; L530-Y564 HydrophobicContact CB-CE2 3.14Å; L530-Y564 HydrophobicContact CD1-CD2 3.72Å; L530-Y564 HydrophobicContact CD1-CE2 4Å; L530-Y564 HydrophobicContact CD1-CG 4.13Å; L530-Y564 HydrophobicContact CD2-CD1 4.09Å; L530-Y564 HydrophobicContact CD2-CD2 3.76Å; L530-Y564 HydrophobicContact CD2-CE1 3.57Å; L530-Y564 HydrophobicContact CD2-CE2 3.22Å; L530-Y564 HydrophobicContact CD2-CG 4.17Å; L530-Y564 VanDerWaalsContact CD2-OH 3.28Å; L530-Y564 WeakPolarHBondContact CD2-OH 3.48Å; L530-Y564 HydrophobicContact CG-CD2 3.83Å; L530-Y564 HydrophobicContact CG-CE2 3.55Å
531D85.1Confident67Low81 Ų81101.3 Ų101.343%0.43352%0.521SS..  trans-76.389.9164.6-171.4-17.9000109.8D533 K534 L535D531-D533 VanDerWaalsContact C-N 3.27Å; D531-D533 PolarHBondContact O-N 2.82Å; D531-D533 PolarHBondContact OD1-N 3.42Å; D531-K534 HydrophobicContact CB-CB 3.89Å; D531-K534 PolarHBondContact O-N 2.81Å; D531-K534 WeakPolarHBondContact OD1-CB 3.48Å; D531-K534 PolarHBondContact OD1-N 3.28Å; D531-K534 WeakPolarHBondContact OD2-CB 3.24Å; D531-L535 PolarHBondContact O-N 3.23Å
532E87.3Confident70.2Confident101 Ų10194.1 Ų94.147%0.47248%0.477SS..Hα-helixtrans-62.4-33.1179.3-72.6-177.1-165.900112.5L530 L535 R536 V573L530-E532 HydrophobicContact CD2-CG 4.24Å; L530-E532 PolarHBondContact O-N 3.41Å; L530-E532 VanDerWaalsContact O-N 3.17Å; E532-L535 PolarHBondContact O-N 3.03Å; E532-R536 VanDerWaalsContact O-CB 3.29Å; E532-R536 WeakPolarHBondContact O-CB 3.39Å; E532-R536 PolarHBondContact O-N 3.26Å; E532-V573 HydrophobicContact CB-CG2 4.1Å; E532-V573 HydrophobicContact CG-CG2 4.31Å
533D88.6Confident73.4Confident128 Ų12891.2 Ų91.268%0.68445%0.446SS*.Hα-helixtrans-68.1-43.7178.4-72.1-35.8000110.7D531 R536 Q537D531-D533 VanDerWaalsContact C-N 3.27Å; D531-D533 PolarHBondContact O-N 2.82Å; D531-D533 PolarHBondContact OD1-N 3.42Å; D533-R536 PolarHBondContact O-N 3.23Å; D533-Q537 PolarHBondContact O-N 3.07Å
534K90.4Very high76.4Confident94 Ų9486.5 Ų86.541%0.40944%0.435SS..Hα-helixtrans-66.2-39.9174.4-173.8171.3-179.8-179.30112.2D531 R536 Q537 L538 F558D531-K534 HydrophobicContact CB-CB 3.89Å; D531-K534 PolarHBondContact O-N 2.81Å; D531-K534 WeakPolarHBondContact OD1-CB 3.48Å; D531-K534 PolarHBondContact OD1-N 3.28Å; D531-K534 WeakPolarHBondContact OD2-CB 3.24Å; K534-R536 VanDerWaalsContact C-N 3.34Å; K534-Q537 PolarHBondContact O-N 3.04Å; K534-L538 HydrophobicContact CG-CD1 4.07Å; K534-L538 HydrophobicContact CG-CG 4.45Å; K534-L538 WeakPolarHBondContact O-CB 3.35Å; K534-L538 WeakPolarHBondContact O-CG 3.48Å; K534-L538 PolarHBondContact O-N 3.14Å; K534-F558 HydrophobicContact CB-CZ 4.4Å; K534-F558 HydrophobicContact CD-CD2 4.08Å; K534-F558 HydrophobicContact CD-CE2 3.69Å; K534-F558 HydrophobicContact CD-CZ 4.33Å; K534-F558 HydrophobicContact CG-CD2 4.47Å; K534-F558 HydrophobicContact CG-CE2 4.09Å; K534-F558 HydrophobicContact CG-CZ 4.3Å
535L89.8Confident79.1Confident0 Ų084 Ų840%042%0.417CS..Hα-helixtrans-59.7-47.3173177.660.2000110.6L530 D531 E532 Q537 L538 L539 L555 F558 L559 Y564 V573L530-L535 HydrophobicContact CD2-CB 4.16Å; L530-L535 HydrophobicContact CD2-CD2 3.59Å; L530-L535 HydrophobicContact CD2-CG 4.49Å; D531-L535 PolarHBondContact O-N 3.23Å; E532-L535 PolarHBondContact O-N 3.03Å; L535-Q537 VanDerWaalsContact C-N 3.34Å; L535-Q537 PolarHBondContact O-N 3.19Å; L535-L538 PolarHBondContact O-N 2.87Å; L535-L539 WeakPolarHBondContact O-CB 3.49Å; L535-L539 PolarHBondContact O-N 2.94Å; L535-L555 HydrophobicContact CD1-CD1 3.98Å; L535-F558 HydrophobicContact CB-CE1 4.05Å; L535-F558 HydrophobicContact CD1-CE1 4.26Å; L535-L559 HydrophobicContact CD1-CD2 4.1Å; L535-Y564 HydrophobicContact CD2-CE1 4.5Å; L535-V573 HydrophobicContact CD2-CB 4.42Å; L535-V573 HydrophobicContact CD2-CG1 4.22Å; L535-V573 HydrophobicContact CG-CG1 4.1Å
536R91.1Very high81.4Confident114 Ų11478.3 Ų78.343%0.4338%0.382SS..Hα-helixtrans-59.3-44.2178.4-179.6174.9178.8-88.2-5.1111.7E532 D533 K534 N540 V573E532-R536 VanDerWaalsContact O-CB 3.29Å; E532-R536 WeakPolarHBondContact O-CB 3.39Å; E532-R536 PolarHBondContact O-N 3.26Å; D533-R536 PolarHBondContact O-N 3.23Å; K534-R536 VanDerWaalsContact C-N 3.34Å; R536-N540 WeakPolarHBondContact O-CB 3.42Å; R536-N540 PolarHBondContact O-N 2.88Å; R536-N540 PolarHBondContact O-ND2 3.28Å; R536-V573 HydrophobicContact CB-CG1 3.79Å; R536-V573 HydrophobicContact CG-CG1 4.42Å
537Q93.1Very high83.4Confident123 Ų12374.2 Ų74.258%0.57536%0.358SS*.Hα-helixtrans-62.9-53.3178.2-174.7-179.84.800111.4D533 K534 L535 L539 N540 D541D533-Q537 PolarHBondContact O-N 3.07Å; K534-Q537 PolarHBondContact O-N 3.04Å; L535-Q537 VanDerWaalsContact C-N 3.34Å; L535-Q537 PolarHBondContact O-N 3.19Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 3.34Å; Q537-N540 PolarHBondContact O-N 3.05Å; Q537-D541 PolarHBondContact O-N 3.11Å
538L92.4Very high85.3Confident20 Ų2070.8 Ų70.811%0.10534%0.341CS..Hα-helixtrans-63.6-36.1-178.7-68.8174.9000112.4K534 L535 A542 R554 L555 F558K534-L538 HydrophobicContact CG-CD1 4.07Å; K534-L538 HydrophobicContact CG-CG 4.45Å; K534-L538 WeakPolarHBondContact O-CB 3.35Å; K534-L538 WeakPolarHBondContact O-CG 3.48Å; K534-L538 PolarHBondContact O-N 3.14Å; L535-L538 PolarHBondContact O-N 2.87Å; L538-A542 WeakPolarHBondContact O-CB 3.48Å; L538-A542 PolarHBondContact O-N 2.95Å; L538-R554 HydrophobicContact CD2-CB 4.12Å; L538-L555 HydrophobicContact CB-CD1 3.94Å; L538-F558 HydrophobicContact CD1-CB 3.68Å; L538-F558 HydrophobicContact CD1-CD1 3.96Å; L538-F558 HydrophobicContact CD1-CD2 4.32Å; L538-F558 HydrophobicContact CD1-CG 3.73Å
539L93Very high86.4Confident0 Ų069.3 Ų69.30%034%0.338CS..Hα-helixtrans-69-42.9177.7-176.657.3000111.7L535 Q537 A542 L543 L555 I574 C577 L589 L615L535-L539 WeakPolarHBondContact O-CB 3.49Å; L535-L539 PolarHBondContact O-N 2.94Å; Q537-L539 VanDerWaalsContact C-N 3.29Å; Q537-L539 PolarHBondContact O-N 3.34Å; L539-A542 PolarHBondContact O-N 3.12Å; L539-L543 HydrophobicContact CD1-CD1 4.11Å; L539-L543 HydrophobicContact CD1-CG 4.16Å; L539-L543 HydrophobicContact CG-CD1 3.9Å; L539-L543 HydrophobicContact CG-CG 4.4Å; L539-L543 WeakPolarHBondContact O-CB 3.38Å; L539-L543 VanDerWaalsContact O-CG 3.3Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.49Å; L539-L555 HydrophobicContact CD1-CD2 4.05Å; L539-I574 HydrophobicContact CD2-CG1 4.36Å; L539-C577 HydrophobicContact CD2-CB 3.86Å; L539-C577 HydrophobicContact CG-CB 4.07Å; L539-L589 HydrophobicContact CD1-CD2 3.82Å; L539-L615 HydrophobicContact CD1-CD2 4.21Å
540N93.7Very high87.3Confident36 Ų3662.6 Ų62.619%0.19332%0.316CS..Hα-helixtrans-64.5-40.4175.5-76.5-40.9000112.2R536 Q537 A542 L543 S544 C577R536-N540 WeakPolarHBondContact O-CB 3.42Å; R536-N540 PolarHBondContact O-N 2.88Å; R536-N540 PolarHBondContact O-ND2 3.28Å; Q537-N540 PolarHBondContact O-N 3.05Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.1Å; N540-L543 PolarHBondContact O-N 3.5Å; N540-S544 WeakPolarHBondContact O-CB 3.49Å; N540-S544 PolarHBondContact O-N 3.37Å; N540-S544 PolarHBondContact O-OG 3.48Å; N540-C577 WeakPolarHBondContact OD1-CB 3.41Å; N540-C577 PolarHBondContact OD1-SG 2.94Å
541D92.9Very high88Confident57 Ų5761.6 Ų61.631%0.30531%0.311SS..Hα-helixtrans-59.2-44.9174.9-75.52.5000110.9Q537 R554Q537-D541 PolarHBondContact O-N 3.11Å; D541-R554 IonicContact OD2-NH1 4Å
542A93.4Very high88Confident0 Ų057.9 Ų57.90%029%0.291CS..Hα-helixtrans-70.8-36.4178.500000113L538 L539 N540 S544 N545 P546 L555 L589L538-A542 WeakPolarHBondContact O-CB 3.48Å; L538-A542 PolarHBondContact O-N 2.95Å; L539-A542 PolarHBondContact O-N 3.12Å; N540-A542 VanDerWaalsContact C-N 3.32Å; N540-A542 PolarHBondContact O-N 3.1Å; A542-S544 VanDerWaalsContact C-N 3.33Å; A542-N545 CarbonylContact O-C 3.58Å; A542-N545 PolarHBondContact O-N 2.85Å; A542-P546 WeakPolarHBondContact O-CA 3.48Å; A542-L555 HydrophobicContact CB-CD2 4.03Å; A542-L589 HydrophobicContact CB-CD1 3.88Å; A542-L589 HydrophobicContact CB-CD2 3.8Å
543L93.8Very high87.9Confident4 Ų456.6 Ų56.62%0.02129%0.288CS..Hα-helixtrans-71.5-26.9176.8-76.9171.8000113.1L539 N540 N545 C577 T578 A581 N585 I586 L589 L615L539-L543 HydrophobicContact CD1-CD1 4.11Å; L539-L543 HydrophobicContact CD1-CG 4.16Å; L539-L543 HydrophobicContact CG-CD1 3.9Å; L539-L543 HydrophobicContact CG-CG 4.4Å; L539-L543 WeakPolarHBondContact O-CB 3.38Å; L539-L543 VanDerWaalsContact O-CG 3.3Å; L539-L543 WeakPolarHBondContact O-CG 3.49Å; L539-L543 PolarHBondContact O-N 3.49Å; N540-L543 PolarHBondContact O-N 3.5Å; L543-N545 VanDerWaalsContact C-N 3.35Å; L543-C577 HydrophobicContact CD1-CB 3.79Å; L543-T578 HydrophobicContact CD1-CG2 4.4Å; L543-A581 HydrophobicContact CB-CB 3.93Å; L543-A581 HydrophobicContact CD1-CB 3.96Å; L543-A581 HydrophobicContact CD2-CB 4.27Å; L543-A581 HydrophobicContact CG-CB 4.29Å; L543-N585 VanDerWaalsContact O-CB 3.31Å; L543-N585 WeakPolarHBondContact O-CB 3.24Å; L543-N585 PolarHBondContact O-ND2 3.26Å; L543-N585 VanDerWaalsContact O-ND2 3.1Å; L543-I586 HydrophobicContact CD2-CB 4.22Å; L543-I586 HydrophobicContact CD2-CG1 3.65Å; L543-L589 HydrophobicContact CD2-CB 4.3Å; L543-L589 HydrophobicContact CD2-CD2 3.65Å; L543-L589 HydrophobicContact CG-CD2 3.79Å; L543-L615 HydrophobicContact CD2-CD2 4.43Å
544S90Very high87.9Confident93 Ų9356 Ų5665%0.6528%0.276SS*.Hα-helixtrans-69.5-35.1176.7-58.70000111.7N540 A542N540-S544 WeakPolarHBondContact O-CB 3.49Å; N540-S544 PolarHBondContact O-N 3.37Å; N540-S544 PolarHBondContact O-OG 3.48Å; A542-S544 VanDerWaalsContact C-N 3.33Å
545N85.9Confident87.8Confident76 Ų7651.5 Ų51.541%0.40626%0.256SS..  trans-149.986.9174.6-170.1-19.6000111.2A542 L543 K547 Q548A542-N545 CarbonylContact O-C 3.58Å; A542-N545 PolarHBondContact O-N 2.85Å; L543-N545 VanDerWaalsContact C-N 3.35Å; N545-K547 VanDerWaalsContact C-N 3.28Å; N545-K547 PolarHBondContact O-N 2.86Å; N545-K547 PolarHBondContact OD1-N 3.1Å; N545-Q548 HydrophobicContact CB-CB 4.21Å; N545-Q548 WeakPolarHBondContact O-CB 3.3Å; N545-Q548 PolarHBondContact O-N 3.16Å; N545-Q548 PolarHBondContact OD1-N 3.11Å
546P82.8Confident87.7Confident3 Ų352.2 Ų52.22%0.01926%0.26CS..THydrogen-bonded Turntrans-62.4-33.1-175.3-23.432.7000114.1A542 Q548 S552 N585 R588 L589 I592A542-P546 WeakPolarHBondContact O-CA 3.48Å; P546-Q548 VanDerWaalsContact C-N 3.28Å; P546-Q548 PolarHBondContact O-N 2.94Å; P546-S552 PolarHBondContact O-OG 3.04Å; P546-N585 HydrophobicContact CG-CB 3.65Å; P546-N585 WeakPolarHBondContact CG-O 3.4Å; P546-R588 HydrophobicContact CB-CB 4.06Å; P546-R588 HydrophobicContact CG-CB 4.22Å; P546-L589 HydrophobicContact CB-CB 4Å; P546-L589 HydrophobicContact CG-CB 4.24Å; P546-I592 HydrophobicContact CB-CD1 4.02Å; P546-I592 WeakPolarHBondContact O-CD1 3.39Å
547K75.2Confident87.3Confident59 Ų5952.3 Ų52.326%0.25727%0.269SS..THydrogen-bonded Turntrans-75.9-16-177.5-60.2-164.8-170-136.20112.9N545 E549 E654 D655 D658N545-K547 VanDerWaalsContact C-N 3.28Å; N545-K547 PolarHBondContact O-N 2.86Å; N545-K547 PolarHBondContact OD1-N 3.1Å; K547-E549 PolarHBondContact O-N 3.31Å; K547-E654 PolarHBondContact NZ-O 2.93Å; K547-D655 IonicContact NZ-OD1 3.95Å; K547-D658 IonicContact NZ-OD2 3.29Å; K547-D658 PolarHBondContact NZ-OD2 3.45Å
548Q81.1Confident87Confident93 Ų9347.8 Ų47.844%0.43525%0.247SC..  trans-70.193.9172.3-167.5-176.812.800109.9N545 P546 S550 S551 S552N545-Q548 HydrophobicContact CB-CB 4.21Å; N545-Q548 WeakPolarHBondContact O-CB 3.3Å; N545-Q548 PolarHBondContact O-N 3.16Å; N545-Q548 PolarHBondContact OD1-N 3.11Å; P546-Q548 VanDerWaalsContact C-N 3.28Å; P546-Q548 PolarHBondContact O-N 2.94Å; Q548-S550 PolarHBondContact NE2-OG 2.84Å; Q548-S550 PolarHBondContact O-N 3.45Å; Q548-S551 PolarHBondContact O-N 3.07Å; Q548-S551 PolarHBondContact OE1-OG 3.15Å; Q548-S552 PolarHBondContact O-N 2.87Å
549E78.8Confident86.5Confident149 Ų14947 Ų4770%0.69624%0.243SC*.Hα-helixtrans-48.6-37-175.1-73.4-168.6162.800113.2K547 S551 S552 N553K547-E549 PolarHBondContact O-N 3.31Å; E549-S551 VanDerWaalsContact C-N 3.29Å; E549-S551 PolarHBondContact O-N 3.2Å; E549-S552 PolarHBondContact O-N 3.49Å; E549-N553 WeakPolarHBondContact O-CB 3.48Å; E549-N553 PolarHBondContact O-N 3.41Å; E549-N553 PolarHBondContact O-ND2 3.41Å
550S84.2Confident85.6Confident59 Ų5949.1 Ų49.141%0.41327%0.266SS..Hα-helixtrans-61.3-30.9178.770.50000114.5Q548 R554Q548-S550 PolarHBondContact NE2-OG 2.84Å; Q548-S550 PolarHBondContact O-N 3.45Å; S550-R554 WeakPolarHBondContact O-CB 3.43Å; S550-R554 WeakPolarHBondContact O-CG 3.3Å; S550-R554 PolarHBondContact O-N 3.33Å; S550-R554 PolarHBondContact O-NE 3.26Å
551S85.9Confident84.3Confident4 Ų451.4 Ų51.43%0.02828%0.284CS..Hα-helixtrans-80.3-46179.7-62.10000110.5Q548 E549 R554 L555Q548-S551 PolarHBondContact O-N 3.07Å; Q548-S551 PolarHBondContact OE1-OG 3.15Å; E549-S551 VanDerWaalsContact C-N 3.29Å; E549-S551 PolarHBondContact O-N 3.2Å; S551-R554 PolarHBondContact O-N 3.23Å; S551-R554 PolarHBondContact OG-NH2 2.73Å; S551-L555 PolarHBondContact O-N 3.09Å
552S85Confident82.9Confident2 Ų250.4 Ų50.41%0.01428%0.28CS..Hα-helixtrans-63.5-41175.7-61.90000112.1P546 Q548 E549 L555 I556P546-S552 PolarHBondContact O-OG 3.04Å; Q548-S552 PolarHBondContact O-N 2.87Å; E549-S552 PolarHBondContact O-N 3.49Å; S552-L555 WeakPolarHBondContact O-CB 3.49Å; S552-L555 PolarHBondContact O-N 2.95Å; S552-I556 VanDerWaalsContact O-CG1 3.27Å; S552-I556 WeakPolarHBondContact O-CG1 3.42Å; S552-I556 PolarHBondContact O-N 2.78Å
553N86Confident81.6Confident75 Ų7559.1 Ų59.140%0.40132%0.321SS..Hα-helixtrans-66.5-40.4177.1-71.4-23.3000112.2E549 L555 I556 D557E549-N553 WeakPolarHBondContact O-CB 3.48Å; E549-N553 PolarHBondContact O-N 3.41Å; E549-N553 PolarHBondContact O-ND2 3.41Å; N553-L555 VanDerWaalsContact C-N 3.27Å; N553-L555 PolarHBondContact O-N 2.73Å; N553-I556 PolarHBondContact O-N 3.21Å; N553-D557 WeakPolarHBondContact O-CB 3.44Å; N553-D557 PolarHBondContact O-N 2.95Å
554R88.1Confident80.2Confident114 Ų11461.4 Ų61.443%0.4333%0.33SS..Hα-helixtrans-59.9-38.6174.1-78.9-179.7-69.5158.10.6112.2L538 D541 S550 S551 F558L538-R554 HydrophobicContact CD2-CB 4.12Å; D541-R554 IonicContact OD2-NH1 4Å; S550-R554 WeakPolarHBondContact O-CB 3.43Å; S550-R554 WeakPolarHBondContact O-CG 3.3Å; S550-R554 PolarHBondContact O-N 3.33Å; S550-R554 PolarHBondContact O-NE 3.26Å; S551-R554 PolarHBondContact O-N 3.23Å; S551-R554 PolarHBondContact OG-NH2 2.73Å; R554-F558 WeakPolarHBondContact O-CB 3.12Å; R554-F558 PolarHBondContact O-N 2.81Å; R554-F558 VanDerWaalsContact O-N 3.15Å
555L88.5Confident79Confident0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-67.9-45175.1-179.462.5000111.4L535 L538 L539 A542 S551 S552 N553 F558 L559 L589 L593 L611L535-L555 HydrophobicContact CD1-CD1 3.98Å; L538-L555 HydrophobicContact CB-CD1 3.94Å; L539-L555 HydrophobicContact CD1-CD2 4.05Å; A542-L555 HydrophobicContact CB-CD2 4.03Å; S551-L555 PolarHBondContact O-N 3.09Å; S552-L555 WeakPolarHBondContact O-CB 3.49Å; S552-L555 PolarHBondContact O-N 2.95Å; N553-L555 VanDerWaalsContact C-N 3.27Å; N553-L555 PolarHBondContact O-N 2.73Å; L555-F558 PolarHBondContact O-N 3.11Å; L555-L559 HydrophobicContact CD1-CD1 3.95Å; L555-L559 HydrophobicContact CD1-CG 4.35Å; L555-L559 HydrophobicContact CG-CD1 3.98Å; L555-L559 VanDerWaalsContact O-CG 3.29Å; L555-L559 WeakPolarHBondContact O-CG 3.49Å; L555-L559 PolarHBondContact O-N 3.49Å; L555-L589 HydrophobicContact CD2-CD2 4.5Å; L555-L593 HydrophobicContact CD2-CD2 4.41Å; L555-L611 HydrophobicContact CD1-CD2 4.41Å; L555-L611 HydrophobicContact CD2-CD2 4.03Å; L555-L611 HydrophobicContact CG-CD2 4.35Å
556I85.9Confident77.6Confident15 Ų1562.3 Ų62.38%0.07732%0.318CS..Hα-helixtrans-60.1-46.9176.6-71.9164000111.1S552 N553 F558 L559 G560 L593 I598 I608S552-I556 VanDerWaalsContact O-CG1 3.27Å; S552-I556 WeakPolarHBondContact O-CG1 3.42Å; S552-I556 PolarHBondContact O-N 2.78Å; N553-I556 PolarHBondContact O-N 3.21Å; I556-F558 VanDerWaalsContact C-N 3.34Å; I556-F558 PolarHBondContact O-N 3.31Å; I556-L559 PolarHBondContact O-N 3.46Å; I556-G560 PolarHBondContact O-N 2.87Å; I556-L593 HydrophobicContact CD1-CD2 4.1Å; I556-L593 HydrophobicContact CG1-CD2 3.65Å; I556-I598 HydrophobicContact CG2-CD1 3.91Å; I556-I608 HydrophobicContact CG2-CD1 3.91Å
557D84.7Confident76.5Confident116 Ų11669.7 Ų69.762%0.6235%0.353SS*.Hα-helixtrans-62.9-40.9-179.9-71.5-21000111.7N553N553-D557 WeakPolarHBondContact O-CB 3.44Å; N553-D557 PolarHBondContact O-N 2.95Å
558F85.4Confident75.5Confident29 Ų2969 Ų6913%0.12735%0.354CS..Hα-helixtrans-61.4-47.4175.3175.8-110.2000111.4L530 K534 L535 L538 R554 L555 I556 S561L530-F558 HydrophobicContact CD1-CE1 4Å; L530-F558 HydrophobicContact CD1-CZ 3.93Å; K534-F558 HydrophobicContact CB-CZ 4.4Å; K534-F558 HydrophobicContact CD-CD2 4.08Å; K534-F558 HydrophobicContact CD-CE2 3.69Å; K534-F558 HydrophobicContact CD-CZ 4.33Å; K534-F558 HydrophobicContact CG-CD2 4.47Å; K534-F558 HydrophobicContact CG-CE2 4.09Å; K534-F558 HydrophobicContact CG-CZ 4.3Å; L535-F558 HydrophobicContact CB-CE1 4.05Å; L535-F558 HydrophobicContact CD1-CE1 4.26Å; L538-F558 HydrophobicContact CD1-CB 3.68Å; L538-F558 HydrophobicContact CD1-CD1 3.96Å; L538-F558 HydrophobicContact CD1-CD2 4.32Å; L538-F558 HydrophobicContact CD1-CG 3.73Å; R554-F558 WeakPolarHBondContact O-CB 3.12Å; R554-F558 PolarHBondContact O-N 2.81Å; R554-F558 VanDerWaalsContact O-N 3.15Å; L555-F558 PolarHBondContact O-N 3.11Å; I556-F558 VanDerWaalsContact C-N 3.34Å; I556-F558 PolarHBondContact O-N 3.31Å; F558-S561 PolarHBondContact O-OG 3.46Å
559L81.7Confident74.5Confident2 Ų268.9 Ų68.91%0.0136%0.361CS..Hα-helixtrans-75-34.8-177.4-66.3170.3000113.4L535 L555 I556 S561 T562 T607 I608 L611L535-L559 HydrophobicContact CD1-CD2 4.1Å; L555-L559 HydrophobicContact CD1-CD1 3.95Å; L555-L559 HydrophobicContact CD1-CG 4.35Å; L555-L559 HydrophobicContact CG-CD1 3.98Å; L555-L559 VanDerWaalsContact O-CG 3.29Å; L555-L559 WeakPolarHBondContact O-CG 3.49Å; L555-L559 PolarHBondContact O-N 3.49Å; I556-L559 PolarHBondContact O-N 3.46Å; L559-S561 PolarHBondContact O-N 3.45Å; L559-S561 VanDerWaalsContact O-N 3.13Å; L559-T562 PolarHBondContact O-N 2.95Å; L559-T607 HydrophobicContact CB-CG2 4.2Å; L559-T607 HydrophobicContact CD2-CG2 3.93Å; L559-I608 HydrophobicContact CB-CG1 3.9Å; L559-I608 HydrophobicContact CD1-CG1 4.36Å; L559-L611 HydrophobicContact CD1-CD2 3.37Å
560G74.7Confident74.1Confident46 Ų4662.1 Ų62.147%0.47433%0.33SS..Hα-helixtrans-62.6-20.8-179.200000113.7I556 T562I556-G560 PolarHBondContact O-N 2.87Å; G560-T562 VanDerWaalsContact C-N 3.34Å
561S67.4Low73.9Confident83 Ų8360.5 Ų60.558%0.5832%0.316SS*.THydrogen-bonded Turntrans-86-0177.169.90000114.6F558 L559F558-S561 PolarHBondContact O-OG 3.46Å; L559-S561 PolarHBondContact O-N 3.45Å; L559-S561 VanDerWaalsContact O-N 3.13Å
562T63.4Low73.8Confident36 Ų3664.7 Ų64.722%0.22134%0.343CS..  trans-143.2128.9-166.6-44.50000111.9L559 G560 Y564 T607L559-T562 PolarHBondContact O-N 2.95Å; G560-T562 VanDerWaalsContact C-N 3.34Å; T562-Y564 PolarHBondContact O-N 3.36Å; T562-T607 PolarHBondContact O-OG1 3.11Å
563E65.1Low73.9Confident184 Ų18465.1 Ų65.186%0.8635%0.345SS*.  trans-85100.7165.3-76.3-174.7173.800109.1
564Y64.6Low74.1Confident52 Ų5261.6 Ų61.620%0.20433%0.327CS..  trans-103.9-61-168.9-173.5-112.9000114.8L530 L535 T562 K566 H571 T607L530-Y564 HydrophobicContact CB-CD2 3.58Å; L530-Y564 HydrophobicContact CB-CE2 3.14Å; L530-Y564 HydrophobicContact CD1-CD2 3.72Å; L530-Y564 HydrophobicContact CD1-CE2 4Å; L530-Y564 HydrophobicContact CD1-CG 4.13Å; L530-Y564 HydrophobicContact CD2-CD1 4.09Å; L530-Y564 HydrophobicContact CD2-CD2 3.76Å; L530-Y564 HydrophobicContact CD2-CE1 3.57Å; L530-Y564 HydrophobicContact CD2-CE2 3.22Å; L530-Y564 HydrophobicContact CD2-CG 4.17Å; L530-Y564 VanDerWaalsContact CD2-OH 3.28Å; L530-Y564 WeakPolarHBondContact CD2-OH 3.48Å; L530-Y564 HydrophobicContact CG-CD2 3.83Å; L530-Y564 HydrophobicContact CG-CE2 3.55Å; L535-Y564 HydrophobicContact CD2-CE1 4.5Å; T562-Y564 PolarHBondContact O-N 3.36Å; Y564-K566 PolarHBondContact O-N 3.1Å; Y564-K566 VanDerWaalsContact O-N 3.09Å; Y564-H571 AromaticContact CE1-CD2 3.69Å; Y564-H571 AromaticContact CE1-NE2 3.79Å; Y564-H571 AromaticContact CZ-CD2 3.89Å; Y564-H571 AromaticContact CZ-NE2 3.56Å; Y564-H571 PolarHBondContact OH-CD2 3.4Å; Y564-H571 PolarHBondContact OH-CE1 3.33Å; Y564-H571 VanDerWaalsContact OH-CE1 3.28Å; Y564-H571 PolarHBondContact OH-NE2 3.27Å; Y564-T607 PolarHBondContact N-OG1 2.7Å
565F63.7Low74Confident22 Ų2257.4 Ų57.410%0.09631%0.312CS..  trans-83.197.3-173-46.9-86.5000110.2Q567 H571 I574 T607 Q610 L611F565-Q567 PolarHBondContact O-N 2.86Å; F565-Q567 VanDerWaalsContact O-N 3.14Å; F565-H571 HydrophobicContact CD1-CB 4.22Å; F565-H571 HydrophobicContact CE1-CB 3.64Å; F565-H571 AromaticContact CE1-CG 3.97Å; F565-I574 HydrophobicContact CE1-CD1 4.11Å; F565-I574 HydrophobicContact CZ-CD1 4.2Å; F565-T607 HydrophobicContact CD2-CG2 3.76Å; F565-T607 WeakPolarHBondContact CD2-O 3.45Å; F565-T607 HydrophobicContact CE2-CG2 3.82Å; F565-T607 WeakPolarHBondContact CE2-O 3.43Å; F565-Q610 HydrophobicContact CB-CB 3.92Å; F565-Q610 HydrophobicContact CB-CG 4.4Å; F565-Q610 VanDerWaalsContact CB-OE1 3.3Å; F565-Q610 HydrophobicContact CD2-CB 3.71Å; F565-Q610 HydrophobicContact CG-CB 4.07Å; F565-Q610 PolarHBondContact O-NE2 2.68Å; F565-Q610 PolarHBondContact O-OE1 3.36Å; F565-L611 HydrophobicContact CE2-CB 3.87Å; F565-L611 HydrophobicContact CZ-CB 4.23Å; F565-L611 HydrophobicContact CZ-CD1 4.26Å
566K58.5Low73.9Confident166 Ų16661.2 Ų61.272%0.72233%0.332SS*.SBendtrans-78.396.6164.9-74.1-177.9-177.8170.40108.2E527 Y564E527-K566 IonicContact OE1-NZ 3.97Å; Y564-K566 PolarHBondContact O-N 3.1Å; Y564-K566 VanDerWaalsContact O-N 3.09Å
567Q57.8Low74.1Confident158 Ų15860.5 Ų60.574%0.73833%0.329SS*.SBendtrans65.6151.7-178.1-57.9175.9-11.600113.4F565 P569F565-Q567 PolarHBondContact O-N 2.86Å; F565-Q567 VanDerWaalsContact O-N 3.14Å; Q567-P569 WeakPolarHBondContact O-CD 3.45Å
568P55.5Low74.4Confident44 Ų4455.3 Ų55.329%0.28630%0.301SS..  trans-91.2107.2-176.532.1-26000111.1Y688 F689P568-Y688 HydrophobicContact CG-CD1 3.16Å; P568-Y688 HydrophobicContact CG-CE1 3.54Å; P568-Y688 HydrophobicContact CG-CG 3.79Å; P568-F689 HydrophobicContact CB-CE2 4.03Å; P568-F689 HydrophobicContact CB-CZ 3.82Å; P568-F689 HydrophobicContact CG-CE2 4.45Å; P568-F689 HydrophobicContact CG-CZ 4.47Å
569P59.6Low74.3Confident91 Ų9159.9 Ų59.959%0.59132%0.323SS*.SBend-101.6141.9126.421.4-11.6000108.5Q567 H571Q567-P569 WeakPolarHBondContact O-CD 3.45Å; P569-H571 PolarHBondContact O-N 3.09Å
570I69.6Low74.4Confident6 Ų665.4 Ų65.43%0.03136%0.357CS..PPolyproline II helixtrans-54.9117.8-179.6-53.3168.3000108.6I574 M575 A617 I623 Y624 F689I570-I574 HydrophobicContact CG2-CB 4.27Å; I570-I574 HydrophobicContact CG2-CG2 4.19Å; I570-M575 HydrophobicContact CB-CG 4.44Å; I570-M575 HydrophobicContact CB-SD 4.32Å; I570-M575 HydrophobicContact CD1-SD 4.31Å; I570-M575 HydrophobicContact CG2-CG 3.72Å; I570-M575 HydrophobicContact CG2-SD 3.56Å; I570-M575 VanDerWaalsContact CG2-SD 3.56Å; I570-A617 HydrophobicContact CD1-CB 3.86Å; I570-A617 HydrophobicContact CG1-CB 3.96Å; I570-I623 HydrophobicContact CD1-CD1 3.86Å; I570-I623 HydrophobicContact CG1-CD1 4.42Å; I570-Y624 HydrophobicContact CB-CE2 4.27Å; I570-F689 HydrophobicContact CD1-CE1 4.48Å; I570-F689 HydrophobicContact CG1-CE1 4.02Å; I570-F689 HydrophobicContact CG1-CZ 4.03Å
571H80.4Confident75Confident25 Ų2563.9 Ų63.912%0.11634%0.34CS..PPolyproline II helixtrans-65.5138.8-174-171.3-93000111.2Y564 F565 P569 V573 I574 M575Y564-H571 AromaticContact CE1-CD2 3.69Å; Y564-H571 AromaticContact CE1-NE2 3.79Å; Y564-H571 AromaticContact CZ-CD2 3.89Å; Y564-H571 AromaticContact CZ-NE2 3.56Å; Y564-H571 PolarHBondContact OH-CD2 3.4Å; Y564-H571 PolarHBondContact OH-CE1 3.33Å; Y564-H571 VanDerWaalsContact OH-CE1 3.28Å; Y564-H571 PolarHBondContact OH-NE2 3.27Å; F565-H571 HydrophobicContact CD1-CB 4.22Å; F565-H571 HydrophobicContact CE1-CB 3.64Å; F565-H571 AromaticContact CE1-CG 3.97Å; P569-H571 PolarHBondContact O-N 3.09Å; H571-V573 WeakPolarHBondContact ND1-CB 3.48Å; H571-V573 PolarHBondContact ND1-N 2.76Å; H571-V573 PolarHBondContact O-N 2.89Å; H571-V573 VanDerWaalsContact O-N 3.14Å; H571-I574 HydrophobicContact CB-CD1 3.86Å; H571-I574 HydrophobicContact CB-CG1 4.1Å; H571-I574 WeakPolarHBondContact O-CA 3.43Å; H571-I574 WeakPolarHBondContact O-CB 3.48Å; H571-I574 PolarHBondContact O-N 2.7Å; H571-M575 PolarHBondContact O-N 3.18Å
572P83.5Confident76Confident93 Ų9361.9 Ų61.960%0.60433%0.325SS*.Hα-helixtrans-54.8-36.5-176.9-28.735.5000114.5I574 M575 L576P572-I574 VanDerWaalsContact C-N 3.31Å; P572-I574 PolarHBondContact O-N 2.89Å; P572-M575 PolarHBondContact O-N 2.9Å; P572-L576 WeakPolarHBondContact O-CB 3.39Å; P572-L576 PolarHBondContact O-N 3.4Å
573V87.9Confident77.3Confident10 Ų1060.3 Ų60.36%0.06132%0.316CS..Hα-helixtrans-63.1-37.7175.7174.90000111.8E532 L535 R536 H571 L576 C577E532-V573 HydrophobicContact CB-CG2 4.1Å; E532-V573 HydrophobicContact CG-CG2 4.31Å; L535-V573 HydrophobicContact CD2-CB 4.42Å; L535-V573 HydrophobicContact CD2-CG1 4.22Å; L535-V573 HydrophobicContact CG-CG1 4.1Å; R536-V573 HydrophobicContact CB-CG1 3.79Å; R536-V573 HydrophobicContact CG-CG1 4.42Å; H571-V573 WeakPolarHBondContact ND1-CB 3.48Å; H571-V573 PolarHBondContact ND1-N 2.76Å; H571-V573 PolarHBondContact O-N 2.89Å; H571-V573 VanDerWaalsContact O-N 3.14Å; V573-L576 PolarHBondContact O-N 3.43Å; V573-C577 PolarHBondContact O-N 2.8Å; V573-C577 PolarHBondContact O-SG 3.28Å
574I89.2Confident78.4Confident2 Ų253.3 Ų53.31%0.0128%0.283CS..Hα-helixtrans-62.9-51.9177-63.8169.6000108.7L539 F565 I570 H571 P572 L576 C577 T578 L611 L615L539-I574 HydrophobicContact CD2-CG1 4.36Å; F565-I574 HydrophobicContact CE1-CD1 4.11Å; F565-I574 HydrophobicContact CZ-CD1 4.2Å; I570-I574 HydrophobicContact CG2-CB 4.27Å; I570-I574 HydrophobicContact CG2-CG2 4.19Å; H571-I574 HydrophobicContact CB-CD1 3.86Å; H571-I574 HydrophobicContact CB-CG1 4.1Å; H571-I574 WeakPolarHBondContact O-CA 3.43Å; H571-I574 WeakPolarHBondContact O-CB 3.48Å; H571-I574 PolarHBondContact O-N 2.7Å; P572-I574 VanDerWaalsContact C-N 3.31Å; P572-I574 PolarHBondContact O-N 2.89Å; I574-L576 VanDerWaalsContact C-N 3.28Å; I574-L576 PolarHBondContact O-N 3.06Å; I574-C577 PolarHBondContact O-N 3.11Å; I574-C577 VanDerWaalsContact O-N 3.15Å; I574-T578 HydrophobicContact CG2-CG2 4.08Å; I574-T578 WeakPolarHBondContact O-CG2 3.37Å; I574-T578 PolarHBondContact O-N 3.18Å; I574-T578 PolarHBondContact O-OG1 3.27Å; I574-T578 VanDerWaalsContact O-OG1 3.05Å; I574-L611 HydrophobicContact CD1-CD1 3.5Å; I574-L611 HydrophobicContact CG1-CD1 3.64Å; I574-L615 HydrophobicContact CG2-CD2 3.92Å; I574-L615 HydrophobicContact CG2-CG 4.42Å
575M86.6Confident79.8Confident26 Ų2652.2 Ų52.213%0.12828%0.281CS..Hα-helixtrans-55.6-42.9178.4-70-56.7-57.200112.5I570 H571 P572 T578 Q579 Y624I570-M575 HydrophobicContact CB-CG 4.44Å; I570-M575 HydrophobicContact CB-SD 4.32Å; I570-M575 HydrophobicContact CD1-SD 4.31Å; I570-M575 HydrophobicContact CG2-CG 3.72Å; I570-M575 HydrophobicContact CG2-SD 3.56Å; I570-M575 VanDerWaalsContact CG2-SD 3.56Å; H571-M575 PolarHBondContact O-N 3.18Å; P572-M575 PolarHBondContact O-N 2.9Å; M575-T578 PolarHBondContact O-OG1 2.94Å; M575-Q579 VanDerWaalsContact O-CG 3.26Å; M575-Q579 WeakPolarHBondContact O-CG 3.37Å; M575-Q579 PolarHBondContact O-N 2.98Å; M575-Y624 HydrophobicContact CE-CD2 4.17Å; M575-Y624 HydrophobicContact CE-CG 4.4Å; M575-Y624 HydrophobicContact CG-CD2 4.22Å; M575-Y624 HydrophobicContact SD-CD2 4.04Å
576L87Confident81.2Confident79 Ų7951.2 Ų51.241%0.41428%0.276SS..Hα-helixtrans-64.7-41.8179.7-177.663.9000112.2P572 V573 I574P572-L576 WeakPolarHBondContact O-CB 3.39Å; P572-L576 PolarHBondContact O-N 3.4Å; V573-L576 PolarHBondContact O-N 3.43Å; I574-L576 VanDerWaalsContact C-N 3.28Å; I574-L576 PolarHBondContact O-N 3.06Å
577C90.1Very high82.9Confident1 Ų143.3 Ų43.31%0.00724%0.242CC..Hα-helixtrans-75.3-33.6-178.9-58.90000111.9L539 N540 L543 V573 I574 Q579 A581L539-C577 HydrophobicContact CD2-CB 3.86Å; L539-C577 HydrophobicContact CG-CB 4.07Å; N540-C577 WeakPolarHBondContact OD1-CB 3.41Å; N540-C577 PolarHBondContact OD1-SG 2.94Å; L543-C577 HydrophobicContact CD1-CB 3.79Å; V573-C577 PolarHBondContact O-N 2.8Å; V573-C577 PolarHBondContact O-SG 3.28Å; I574-C577 PolarHBondContact O-N 3.11Å; I574-C577 VanDerWaalsContact O-N 3.15Å; C577-Q579 VanDerWaalsContact C-N 3.34Å; C577-A581 PolarHBondContact O-N 2.92Å
578T90.1Very high84.6Confident6 Ų637.4 Ų37.44%0.03721%0.213CC..Hα-helixtrans-78.9-16.2-178.859.60000113.6L543 I574 M575 T580 I586 L615 S618 R632L543-T578 HydrophobicContact CD1-CG2 4.4Å; I574-T578 HydrophobicContact CG2-CG2 4.08Å; I574-T578 WeakPolarHBondContact O-CG2 3.37Å; I574-T578 PolarHBondContact O-N 3.18Å; I574-T578 PolarHBondContact O-OG1 3.27Å; I574-T578 VanDerWaalsContact O-OG1 3.05Å; M575-T578 PolarHBondContact O-OG1 2.94Å; T578-T580 VanDerWaalsContact C-N 3.28Å; T578-T580 PolarHBondContact O-N 2.87Å; T578-I586 HydrophobicContact CG2-CD1 3.82Å; T578-I586 HydrophobicContact CG2-CG1 3.94Å; T578-I586 HydrophobicContact CG2-CG2 4.08Å; T578-L615 HydrophobicContact CG2-CD2 3.64Å; T578-S618 WeakPolarHBondContact CB-OG 3.38Å; T578-S618 WeakPolarHBondContact CG2-OG 3.38Å; T578-S618 WeakPolarHBondContact OG1-CB 3.31Å; T578-S618 PolarHBondContact OG1-OG 3.41Å; T578-R632 PolarHBondContact O-NH2 3.48Å
579Q84.4Confident86.4Confident125 Ų12535.3 Ų35.358%0.58420%0.199SC*.THydrogen-bonded Turntrans-61.2-33.4174.1-83.81701.600113.6M575 C577 R632M575-Q579 VanDerWaalsContact O-CG 3.26Å; M575-Q579 WeakPolarHBondContact O-CG 3.37Å; M575-Q579 PolarHBondContact O-N 2.98Å; C577-Q579 VanDerWaalsContact C-N 3.34Å; Q579-R632 PolarHBondContact O-NH1 3Å; Q579-R632 VanDerWaalsContact O-NH1 3.09Å
580T82.5Confident88Confident119 Ų11931 Ų3173%0.7317%0.171SC*.THydrogen-bonded Turntrans-110.1-15.7-174.755.20000113.9T578T578-T580 VanDerWaalsContact C-N 3.28Å; T578-T580 PolarHBondContact O-N 2.87Å
581A89.1Confident89.1Confident14 Ų1430.7 Ų30.712%0.11617%0.17CC..SBendtrans-73.5159.917800000111.7L543 C577 I586 R632L543-A581 HydrophobicContact CB-CB 3.93Å; L543-A581 HydrophobicContact CD1-CB 3.96Å; L543-A581 HydrophobicContact CD2-CB 4.27Å; L543-A581 HydrophobicContact CG-CB 4.29Å; C577-A581 PolarHBondContact O-N 2.92Å; A581-I586 HydrophobicContact CB-CD1 4.03Å; A581-I586 HydrophobicContact CB-CG1 3.95Å; A581-R632 VanDerWaalsContact O-CZ 3.23Å; A581-R632 PolarHBondContact O-NH1 2.72Å; A581-R632 PolarHBondContact O-NH2 3.05Å
582S88Confident89.5Confident40 Ų4031.7 Ų31.728%0.2818%0.176SC..  trans-68.3142.1172106.10000110.5E584 N585 I586S582-E584 VanDerWaalsContact C-N 3.3Å; S582-E584 VanDerWaalsContact CB-OE2 3.27Å; S582-E584 WeakPolarHBondContact CB-OE2 3.49Å; S582-E584 PolarHBondContact O-N 3.25Å; S582-E584 PolarHBondContact OG-OE2 3.08Å; S582-N585 PolarHBondContact O-N 3.46Å; S582-N585 WeakPolarHBondContact OG-CB 3.21Å; S582-N585 PolarHBondContact OG-N 2.85Å; S582-I586 WeakPolarHBondContact O-CD1 3.39Å; S582-I586 WeakPolarHBondContact O-CG1 3.43Å; S582-I586 PolarHBondContact O-N 3.37Å
583P89.4Confident89.7Confident3 Ų327.2 Ų27.22%0.01915%0.147CC..Hα-helixtrans-59.4-3817922.5-31.1000113.1I586 V587 I619 R632 C635 A636P583-I586 PolarHBondContact O-N 3.49Å; P583-V587 WeakPolarHBondContact O-CG2 3.01Å; P583-V587 PolarHBondContact O-N 3.31Å; P583-I619 HydrophobicContact CB-CD1 4.28Å; P583-R632 HydrophobicContact CB-CB 4.27Å; P583-R632 WeakPolarHBondContact CB-O 3.22Å; P583-R632 HydrophobicContact CG-CB 4.5Å; P583-C635 HydrophobicContact CB-CB 4.17Å; P583-C635 HydrophobicContact CG-CB 3.63Å; P583-A636 HydrophobicContact CB-CB 3.99Å
584E89.2Confident89.6Confident38 Ų3826.8 Ų26.818%0.17814%0.144CC..Hα-helixtrans-66-43176.9-47.677.4-171.700111S582 I586 V587 R588 C635 C639S582-E584 VanDerWaalsContact C-N 3.3Å; S582-E584 VanDerWaalsContact CB-OE2 3.27Å; S582-E584 WeakPolarHBondContact CB-OE2 3.49Å; S582-E584 PolarHBondContact O-N 3.25Å; S582-E584 PolarHBondContact OG-OE2 3.08Å; E584-I586 VanDerWaalsContact C-N 3.28Å; E584-I586 PolarHBondContact O-N 2.86Å; E584-V587 CarbonylContact O-C 3.21Å; E584-V587 WeakPolarHBondContact O-CB 3.35Å; E584-V587 PolarHBondContact O-N 3.36Å; E584-V587 VanDerWaalsContact O-N 3.11Å; E584-R588 WeakPolarHBondContact O-CB 3.14Å; E584-R588 WeakPolarHBondContact O-CG 3.33Å; E584-R588 PolarHBondContact O-N 2.88Å; E584-C635 WeakPolarHBondContact OE1-CB 3.37Å; E584-C639 HydrophobicContact CB-CB 4.27Å; E584-C639 HydrophobicContact CG-CB 4.32Å
585N93.3Very high89.4Confident29 Ų2930.3 Ų30.316%0.15516%0.157CC..Hα-helixtrans-65.8-32.9179.7-78.1-2.6000112.5L543 P546 S582 V587 R588 L589L543-N585 VanDerWaalsContact O-CB 3.31Å; L543-N585 WeakPolarHBondContact O-CB 3.24Å; L543-N585 PolarHBondContact O-ND2 3.26Å; L543-N585 VanDerWaalsContact O-ND2 3.1Å; P546-N585 HydrophobicContact CG-CB 3.65Å; P546-N585 WeakPolarHBondContact CG-O 3.4Å; S582-N585 PolarHBondContact O-N 3.46Å; S582-N585 WeakPolarHBondContact OG-CB 3.21Å; S582-N585 PolarHBondContact OG-N 2.85Å; N585-V587 VanDerWaalsContact C-N 3.34Å; N585-R588 PolarHBondContact OD1-NH1 3.07Å; N585-L589 VanDerWaalsContact O-CB 3.25Å; N585-L589 WeakPolarHBondContact O-CB 3.38Å; N585-L589 PolarHBondContact O-N 2.85Å
586I94.2Very high89Confident0 Ų029.7 Ų29.70%016%0.156CC..Hα-helixtrans-63.6-43.5172.7-64.5161.9000110.3L543 T578 A581 S582 P583 E584 S590 L615 I619L543-I586 HydrophobicContact CD2-CB 4.22Å; L543-I586 HydrophobicContact CD2-CG1 3.65Å; T578-I586 HydrophobicContact CG2-CD1 3.82Å; T578-I586 HydrophobicContact CG2-CG1 3.94Å; T578-I586 HydrophobicContact CG2-CG2 4.08Å; A581-I586 HydrophobicContact CB-CD1 4.03Å; A581-I586 HydrophobicContact CB-CG1 3.95Å; S582-I586 WeakPolarHBondContact O-CD1 3.39Å; S582-I586 WeakPolarHBondContact O-CG1 3.43Å; S582-I586 PolarHBondContact O-N 3.37Å; P583-I586 PolarHBondContact O-N 3.49Å; E584-I586 VanDerWaalsContact C-N 3.28Å; E584-I586 PolarHBondContact O-N 2.86Å; I586-S590 WeakPolarHBondContact O-CB 3.34Å; I586-S590 PolarHBondContact O-N 2.95Å; I586-L615 HydrophobicContact CG2-CB 3.96Å; I586-L615 HydrophobicContact CG2-CD2 4.24Å; I586-L615 WeakPolarHBondContact CG2-O 3.4Å; I586-I619 HydrophobicContact CB-CD1 3.67Å; I586-I619 HydrophobicContact CD1-CD1 3.63Å; I586-I619 HydrophobicContact CD1-CG1 4.15Å; I586-I619 HydrophobicContact CG1-CD1 4.25Å; I586-I619 HydrophobicContact CG2-CD1 3.56Å; I586-I619 HydrophobicContact CG2-CG1 4.15Å
587V94Very high88.2Confident0 Ų031.8 Ų31.80%017%0.167CC..Hα-helixtrans-64.6-53.1175.9174.10000110.6P583 E584 N585 L589 S590 L591 L616 F620 A636 C639 L640P583-V587 WeakPolarHBondContact O-CG2 3.01Å; P583-V587 PolarHBondContact O-N 3.31Å; E584-V587 CarbonylContact O-C 3.21Å; E584-V587 WeakPolarHBondContact O-CB 3.35Å; E584-V587 PolarHBondContact O-N 3.36Å; E584-V587 VanDerWaalsContact O-N 3.11Å; N585-V587 VanDerWaalsContact C-N 3.34Å; V587-L589 VanDerWaalsContact C-N 3.35Å; V587-L589 PolarHBondContact O-N 2.82Å; V587-S590 WeakPolarHBondContact O-CB 3.24Å; V587-S590 PolarHBondContact O-N 2.88Å; V587-S590 VanDerWaalsContact O-N 3.09Å; V587-L591 HydrophobicContact CG1-CD1 3.73Å; V587-L591 HydrophobicContact CG1-CG 4.26Å; V587-L591 VanDerWaalsContact O-CG 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.34Å; V587-L591 PolarHBondContact O-N 2.71Å; V587-L616 HydrophobicContact CB-CD2 4.45Å; V587-L616 HydrophobicContact CG2-CD2 4.06Å; V587-F620 HydrophobicContact CG2-CZ 4.33Å; V587-A636 HydrophobicContact CG2-CB 3.72Å; V587-C639 HydrophobicContact CB-CB 4.41Å; V587-C639 HydrophobicContact CG1-CB 4.27Å; V587-L640 HydrophobicContact CG1-CB 4.03Å; V587-L640 HydrophobicContact CG1-CD1 4.4Å
588R92.9Very high86.8Confident34 Ų3434.6 Ų34.613%0.12818%0.182CC..Hα-helixtrans-55.1-47.2179-70.5178.8-174.2122.13.6111.9P546 E584 N585 S590 L591 I592 Y643 D655P546-R588 HydrophobicContact CB-CB 4.06Å; P546-R588 HydrophobicContact CG-CB 4.22Å; E584-R588 WeakPolarHBondContact O-CB 3.14Å; E584-R588 WeakPolarHBondContact O-CG 3.33Å; E584-R588 PolarHBondContact O-N 2.88Å; N585-R588 PolarHBondContact OD1-NH1 3.07Å; R588-S590 PolarHBondContact O-N 3.34Å; R588-L591 PolarHBondContact O-N 2.94Å; R588-I592 VanDerWaalsContact O-CG1 3.28Å; R588-I592 WeakPolarHBondContact O-CG1 3.32Å; R588-I592 PolarHBondContact O-N 3.1Å; R588-Y643 HydrophobicContact CG-CE2 4.1Å; R588-D655 IonicContact CZ-OD1 3.67Å; R588-D655 IonicContact CZ-OD2 2.69Å; R588-D655 IonicContact NE-OD1 2.76Å; R588-D655 PolarHBondContact NE-OD1 2.8Å; R588-D655 IonicContact NE-OD2 3.52Å; R588-D655 IonicContact NH2-OD1 3.63Å; R588-D655 PolarHBondContact NH2-OD1 3.23Å; R588-D655 IonicContact NH2-OD2 2.8Å; R588-D655 PolarHBondContact NH2-OD2 3.02Å
589L93.8Very high85.3Confident0 Ų034.6 Ų34.60%018%0.182CC..Hα-helixtrans-62-44.6177.4-178.659.5000111.3L539 A542 L543 P546 L555 N585 V587 L591 I592 L593 L615L539-L589 HydrophobicContact CD1-CD2 3.82Å; A542-L589 HydrophobicContact CB-CD1 3.88Å; A542-L589 HydrophobicContact CB-CD2 3.8Å; L543-L589 HydrophobicContact CD2-CB 4.3Å; L543-L589 HydrophobicContact CD2-CD2 3.65Å; L543-L589 HydrophobicContact CG-CD2 3.79Å; P546-L589 HydrophobicContact CB-CB 4Å; P546-L589 HydrophobicContact CG-CB 4.24Å; L555-L589 HydrophobicContact CD2-CD2 4.5Å; N585-L589 VanDerWaalsContact O-CB 3.25Å; N585-L589 WeakPolarHBondContact O-CB 3.38Å; N585-L589 PolarHBondContact O-N 2.85Å; V587-L589 VanDerWaalsContact C-N 3.35Å; V587-L589 PolarHBondContact O-N 2.82Å; L589-L591 VanDerWaalsContact C-N 3.3Å; L589-L591 PolarHBondContact O-N 3.38Å; L589-I592 PolarHBondContact O-N 3.31Å; L589-L593 HydrophobicContact CD1-CD1 4.39Å; L589-L593 HydrophobicContact CD1-CG 4.16Å; L589-L593 HydrophobicContact CG-CD1 4.12Å; L589-L593 HydrophobicContact CG-CG 4.34Å; L589-L593 VanDerWaalsContact O-CG 3.26Å; L589-L593 WeakPolarHBondContact O-CG 3.45Å; L589-L593 PolarHBondContact O-N 3.25Å; L589-L615 HydrophobicContact CD2-CD1 4.07Å; L589-L615 HydrophobicContact CG-CD1 4.14Å
590S93.4Very high84.2Confident0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-58.7-43.3177.4-176.30000112.3I586 V587 R588 L593 S594 A612 L616 L681I586-S590 WeakPolarHBondContact O-CB 3.34Å; I586-S590 PolarHBondContact O-N 2.95Å; V587-S590 WeakPolarHBondContact O-CB 3.24Å; V587-S590 PolarHBondContact O-N 2.88Å; V587-S590 VanDerWaalsContact O-N 3.09Å; R588-S590 PolarHBondContact O-N 3.34Å; S590-L593 PolarHBondContact O-N 3.49Å; S590-S594 PolarHBondContact O-N 3.32Å; S590-A612 WeakPolarHBondContact OG-CA 3.23Å; S590-A612 PolarHBondContact OG-O 2.81Å; S590-L616 WeakPolarHBondContact OG-CG 3.22Å; S590-L681 WeakPolarHBondContact OG-CD2 3.36Å
591L91.6Very high82.9Confident1 Ų132.4 Ų32.41%0.00517%0.171CC..Hα-helixtrans-63.9-44.1176.8-65.3170.5000111.6V587 R588 L589 S594 R595 L640 Y643 Y678 L681V587-L591 HydrophobicContact CG1-CD1 3.73Å; V587-L591 HydrophobicContact CG1-CG 4.26Å; V587-L591 VanDerWaalsContact O-CG 3.26Å; V587-L591 WeakPolarHBondContact O-CG 3.34Å; V587-L591 PolarHBondContact O-N 2.71Å; R588-L591 PolarHBondContact O-N 2.94Å; L589-L591 VanDerWaalsContact C-N 3.3Å; L589-L591 PolarHBondContact O-N 3.38Å; L591-S594 PolarHBondContact O-N 3.19Å; L591-S594 PolarHBondContact O-OG 3.27Å; L591-R595 PolarHBondContact O-N 2.87Å; L591-L640 HydrophobicContact CD2-CD1 4.07Å; L591-Y643 VanDerWaalsContact CD1-CB 3.5Å; L591-Y643 HydrophobicContact CD1-CD1 3.7Å; L591-Y643 HydrophobicContact CD1-CD2 3.68Å; L591-Y643 HydrophobicContact CD1-CE1 4.32Å; L591-Y643 HydrophobicContact CD1-CE2 4.33Å; L591-Y643 HydrophobicContact CD1-CG 3.34Å; L591-Y678 HydrophobicContact CB-CD1 3.94Å; L591-Y678 HydrophobicContact CB-CE1 3.64Å; L591-Y678 HydrophobicContact CD2-CD1 3.4Å; L591-Y678 HydrophobicContact CD2-CD2 4.38Å; L591-Y678 HydrophobicContact CD2-CE1 4.01Å; L591-Y678 HydrophobicContact CD2-CG 3.61Å; L591-Y678 HydrophobicContact CG-CD1 4.21Å; L591-Y678 HydrophobicContact CG-CE1 4.35Å; L591-L681 HydrophobicContact CD2-CD2 3.98Å
592I88.6Confident81Confident45 Ų4535.9 Ų35.923%0.23119%0.188CC..Hα-helixtrans-60.8-46.2176.1-70.7168.4000111.1P546 R588 L589 S594 R595 S596P546-I592 HydrophobicContact CB-CD1 4.02Å; P546-I592 WeakPolarHBondContact O-CD1 3.39Å; R588-I592 VanDerWaalsContact O-CG1 3.28Å; R588-I592 WeakPolarHBondContact O-CG1 3.32Å; R588-I592 PolarHBondContact O-N 3.1Å; L589-I592 PolarHBondContact O-N 3.31Å; I592-S594 VanDerWaalsContact C-N 3.28Å; I592-S594 PolarHBondContact O-N 3.09Å; I592-R595 PolarHBondContact O-N 3.48Å; I592-R595 VanDerWaalsContact O-N 3.15Å; I592-S596 PolarHBondContact O-N 2.93Å
593L88.7Confident79.3Confident0 Ų037.7 Ų37.70%020%0.2CC..Hα-helixtrans-61.5-36.9178.1-68.8176.7000112L555 I556 L589 S590 R595 S596 C599 I608 L611 A612 L615L555-L593 HydrophobicContact CD2-CD2 4.41Å; I556-L593 HydrophobicContact CD1-CD2 4.1Å; I556-L593 HydrophobicContact CG1-CD2 3.65Å; L589-L593 HydrophobicContact CD1-CD1 4.39Å; L589-L593 HydrophobicContact CD1-CG 4.16Å; L589-L593 HydrophobicContact CG-CD1 4.12Å; L589-L593 HydrophobicContact CG-CG 4.34Å; L589-L593 VanDerWaalsContact O-CG 3.26Å; L589-L593 WeakPolarHBondContact O-CG 3.45Å; L589-L593 PolarHBondContact O-N 3.25Å; S590-L593 PolarHBondContact O-N 3.49Å; L593-R595 PolarHBondContact O-N 3.3Å; L593-S596 WeakPolarHBondContact O-CB 3.23Å; L593-S596 PolarHBondContact O-N 3.32Å; L593-S596 PolarHBondContact O-OG 2.93Å; L593-C599 PolarHBondContact O-SG 2.91Å; L593-I608 HydrophobicContact CB-CG2 3.91Å; L593-I608 HydrophobicContact CD2-CG2 4.13Å; L593-L611 HydrophobicContact CD1-CD2 3.84Å; L593-L611 HydrophobicContact CD1-CG 3.96Å; L593-A612 HydrophobicContact CB-CB 4.04Å; L593-L615 HydrophobicContact CD1-CD1 3.93Å
594S86.2Confident77.5Confident0 Ų039.6 Ų39.60%021%0.212CC..Hα-helixtrans-65.5-23.3178.681.50000113.8S590 L591 I592S590-S594 PolarHBondContact O-N 3.32Å; L591-S594 PolarHBondContact O-N 3.19Å; L591-S594 PolarHBondContact O-OG 3.27Å; I592-S594 VanDerWaalsContact C-N 3.28Å; I592-S594 PolarHBondContact O-N 3.09Å
595R83.6Confident75.8Confident76 Ų7641.4 Ų41.429%0.28723%0.229SC..Hα-helixtrans-87.5-14.7178.6-72.817251.2175.6-2.4114.6L591 I592 L593 Q600 N674 H677 Y678L591-R595 PolarHBondContact O-N 2.87Å; I592-R595 PolarHBondContact O-N 3.48Å; I592-R595 VanDerWaalsContact O-N 3.15Å; L593-R595 PolarHBondContact O-N 3.3Å; R595-Q600 PolarHBondContact O-NE2 3.37Å; R595-N674 PolarHBondContact NE-OD1 3.06Å; R595-N674 PolarHBondContact NH1-ND2 3.03Å; R595-N674 VanDerWaalsContact NH1-ND2 3.12Å; R595-N674 PolarHBondContact NH2-ND2 3.24Å; R595-H677 HydrophobicContact CG-CB 4.19Å; R595-Y678 WeakPolarHBondContact CD-OH 3.01Å; R595-Y678 HydrophobicContact CG-CE1 3.75Å; R595-Y678 PolarHBondContact NH1-OH 3.05Å
596S79.4Confident74.9Confident14 Ų1440.7 Ų40.710%0.09823%0.228CC..SBendtrans-54.5142.3-176.766.20000111.9I592 L593 I598 C599 Q600I592-S596 PolarHBondContact O-N 2.93Å; L593-S596 WeakPolarHBondContact O-CB 3.23Å; L593-S596 PolarHBondContact O-N 3.32Å; L593-S596 PolarHBondContact O-OG 2.93Å; S596-I598 PolarHBondContact O-N 3.29Å; S596-C599 WeakPolarHBondContact O-CA 3.39Å; S596-C599 WeakPolarHBondContact O-CB 3.24Å; S596-C599 PolarHBondContact O-N 2.86Å; S596-C599 PolarHBondContact OG-SG 3.42Å; S596-C599 VanDerWaalsContact OG-SG 3.39Å; S596-Q600 PolarHBondContact O-N 3.3Å
597N69.4Low74.2Confident122 Ų12241.3 Ų41.365%0.65223%0.232SC*.Hα-helixtrans-54.6-31.7-177.1-71.4-15.5000112.9C599 Q600 T601N597-C599 VanDerWaalsContact C-N 3.32Å; N597-C599 PolarHBondContact O-N 3.49Å; N597-Q600 WeakPolarHBondContact O-CB 3.19Å; N597-Q600 PolarHBondContact O-N 2.89Å; N597-Q600 VanDerWaalsContact O-N 3.11Å; N597-Q600 PolarHBondContact OD1-NE2 2.88Å; N597-T601 PolarHBondContact O-N 3.42Å
598I61.5Low73.8Confident61 Ų6141.5 Ų41.531%0.31323%0.233SC..Hα-helixtrans-64.1-37.4177.2-58.5172.8000111.2I556 S596 Q600 T601 N602 I608I556-I598 HydrophobicContact CG2-CD1 3.91Å; S596-I598 PolarHBondContact O-N 3.29Å; I598-Q600 VanDerWaalsContact C-N 3.31Å; I598-T601 PolarHBondContact O-OG1 2.89Å; I598-N602 WeakPolarHBondContact O-CB 3.41Å; I598-N602 PolarHBondContact O-N 3.41Å; I598-I608 HydrophobicContact CB-CD1 3.95Å; I598-I608 HydrophobicContact CD1-CD1 3.74Å; I598-I608 HydrophobicContact CG1-CD1 4.41Å; I598-I608 HydrophobicContact CG2-CD1 3.99Å
599C58.8Low73.4Confident6 Ų640.1 Ų40.14%0.04123%0.228CC..Hα-helixtrans-72.7-23.3174.3-70.70000112.8L593 S596 N597 M609L593-C599 PolarHBondContact O-SG 2.91Å; S596-C599 WeakPolarHBondContact O-CA 3.39Å; S596-C599 WeakPolarHBondContact O-CB 3.24Å; S596-C599 PolarHBondContact O-N 2.86Å; S596-C599 PolarHBondContact OG-SG 3.42Å; S596-C599 VanDerWaalsContact OG-SG 3.39Å; N597-C599 VanDerWaalsContact C-N 3.32Å; N597-C599 PolarHBondContact O-N 3.49Å; C599-M609 HydrophobicContact CB-CE 4.49Å
600Q60.2Low73Confident85 Ų8541.2 Ų41.240%0.39723%0.233SC..Hα-helixtrans-73-33.4176.4-59.5178.413.800111.8R595 S596 N597 I598R595-Q600 PolarHBondContact O-NE2 3.37Å; S596-Q600 PolarHBondContact O-N 3.3Å; N597-Q600 WeakPolarHBondContact O-CB 3.19Å; N597-Q600 PolarHBondContact O-N 2.89Å; N597-Q600 VanDerWaalsContact O-N 3.11Å; N597-Q600 PolarHBondContact OD1-NE2 2.88Å; I598-Q600 VanDerWaalsContact C-N 3.31Å
601T54.7Low72.8Confident112 Ų11241.2 Ų41.269%0.68723%0.233SC*.Hα-helixtrans-91-28.3-177.658.70000114.1N597 I598N597-T601 PolarHBondContact O-N 3.42Å; I598-T601 PolarHBondContact O-OG1 2.89Å
602N49.1Very low72.7Confident88 Ų8841.1 Ų41.147%0.47123%0.233SC..SBendtrans-103.6146.6-173.8-74.7-18.4000112.8I598I598-N602 WeakPolarHBondContact O-CB 3.41Å; I598-N602 PolarHBondContact O-N 3.41Å
603S52.8Low72.8Confident78 Ų7839.2 Ų39.255%0.54522%0.223SC..  trans-58.8168.9172.464.60000111.1S605 G606S603-S605 PolarHBondContact O-N 2.78Å; S603-S605 PolarHBondContact OG-OG 3.45Å; S603-G606 PolarHBondContact O-N 3.27Å; S603-G606 VanDerWaalsContact O-N 3.08Å
604V51.7Low72.9Confident42 Ų4239.4 Ų39.426%0.25523%0.225SC..THydrogen-bonded Turntrans-47.7-14.3179.9175.50000114.4G606 T684 Y688V604-G606 VanDerWaalsContact C-N 3.31Å; V604-G606 PolarHBondContact O-N 3.36Å; V604-T684 HydrophobicContact CG1-CG2 3.48Å; V604-T684 VanDerWaalsContact CG1-CG2 3.48Å; V604-Y688 HydrophobicContact CG1-CE2 3.8Å
605S54.3Low73.2Confident77 Ų7739.4 Ų39.454%0.53823%0.225SC..THydrogen-bonded Turntrans-78.90.9177.1700000115.7S603 T607S603-S605 PolarHBondContact O-N 2.78Å; S603-S605 PolarHBondContact OG-OG 3.45Å; S605-T607 PolarHBondContact O-N 3.2Å
606G73.3Confident73.6Confident14 Ų1435.8 Ų35.814%0.14421%0.211CC..  trans-64.6131.4177.400000112.2S603 V604 I608 M609 Q610S603-G606 PolarHBondContact O-N 3.27Å; S603-G606 VanDerWaalsContact O-N 3.08Å; V604-G606 VanDerWaalsContact C-N 3.31Å; V604-G606 PolarHBondContact O-N 3.36Å; G606-I608 PolarHBondContact O-N 3.46Å; G606-I608 VanDerWaalsContact O-N 3.1Å; G606-M609 WeakPolarHBondContact O-CB 3.17Å; G606-M609 PolarHBondContact O-N 3.26Å; G606-Q610 PolarHBondContact O-N 2.7Å
607T80.6Confident74.2Confident13 Ų1335.1 Ų35.18%0.0821%0.207CC..Hα-helixtrans-52.4-34.9179.6-70.80000113.3L559 T562 Y564 F565 S605 Q610 L611L559-T607 HydrophobicContact CB-CG2 4.2Å; L559-T607 HydrophobicContact CD2-CG2 3.93Å; T562-T607 PolarHBondContact O-OG1 3.11Å; Y564-T607 PolarHBondContact N-OG1 2.7Å; F565-T607 HydrophobicContact CD2-CG2 3.76Å; F565-T607 WeakPolarHBondContact CD2-O 3.45Å; F565-T607 HydrophobicContact CE2-CG2 3.82Å; F565-T607 WeakPolarHBondContact CE2-O 3.43Å; S605-T607 PolarHBondContact O-N 3.2Å; T607-Q610 PolarHBondContact O-N 2.77Å; T607-L611 PolarHBondContact O-N 2.68Å
608I85Confident75.2Confident4 Ų429.5 Ų29.52%0.02118%0.177CC..Hα-helixtrans-69.1-43.9177-63.1162.7000111.6I556 L559 L593 I598 G606 Q610 L611 A612I556-I608 HydrophobicContact CG2-CD1 3.91Å; L559-I608 HydrophobicContact CB-CG1 3.9Å; L559-I608 HydrophobicContact CD1-CG1 4.36Å; L593-I608 HydrophobicContact CB-CG2 3.91Å; L593-I608 HydrophobicContact CD2-CG2 4.13Å; I598-I608 HydrophobicContact CB-CD1 3.95Å; I598-I608 HydrophobicContact CD1-CD1 3.74Å; I598-I608 HydrophobicContact CG1-CD1 4.41Å; I598-I608 HydrophobicContact CG2-CD1 3.99Å; G606-I608 PolarHBondContact O-N 3.46Å; G606-I608 VanDerWaalsContact O-N 3.1Å; I608-Q610 VanDerWaalsContact C-N 3.29Å; I608-Q610 PolarHBondContact O-N 3.42Å; I608-L611 WeakPolarHBondContact O-CB 3.02Å; I608-L611 PolarHBondContact O-N 2.88Å; I608-A612 PolarHBondContact O-N 2.88Å
609M84.5Confident76.5Confident5 Ų526.7 Ų26.73%0.02516%0.163CC..Hα-helixtrans-63-39.6176.2-175.963.989.900110.5C599 G606 L611 A612 I613 L681C599-M609 HydrophobicContact CB-CE 4.49Å; G606-M609 WeakPolarHBondContact O-CB 3.17Å; G606-M609 PolarHBondContact O-N 3.26Å; M609-L611 PolarHBondContact O-N 3.42Å; M609-A612 WeakPolarHBondContact O-CB 3.3Å; M609-A612 PolarHBondContact O-N 3.27Å; M609-I613 HydrophobicContact CG-CD1 3.87Å; M609-I613 HydrophobicContact CG-CG1 4.48Å; M609-I613 WeakPolarHBondContact O-CD1 3.34Å; M609-I613 WeakPolarHBondContact O-CG1 3.34Å; M609-I613 PolarHBondContact O-N 3.01Å; M609-L681 HydrophobicContact SD-CD1 3.84Å
610Q85.2Confident77.9Confident22 Ų2226.4 Ų26.410%0.10316%0.161CC..Hα-helixtrans-65.2-36.7175.7-68.6169-3900112.7F565 G606 T607 I608 G614F565-Q610 HydrophobicContact CB-CB 3.92Å; F565-Q610 HydrophobicContact CB-CG 4.4Å; F565-Q610 VanDerWaalsContact CB-OE1 3.3Å; F565-Q610 HydrophobicContact CD2-CB 3.71Å; F565-Q610 HydrophobicContact CG-CB 4.07Å; F565-Q610 PolarHBondContact O-NE2 2.68Å; F565-Q610 PolarHBondContact O-OE1 3.36Å; G606-Q610 PolarHBondContact O-N 2.7Å; T607-Q610 PolarHBondContact O-N 2.77Å; I608-Q610 VanDerWaalsContact C-N 3.29Å; I608-Q610 PolarHBondContact O-N 3.42Å; Q610-G614 PolarHBondContact O-N 2.93Å
611L89.1Confident79.2Confident0 Ų022.6 Ų22.60%014%0.143CC..Hα-helixtrans-63.9-46.7170.7177.559.2000111.2L555 L559 F565 I574 L593 T607 I608 M609 I613 G614 L615L555-L611 HydrophobicContact CD1-CD2 4.41Å; L555-L611 HydrophobicContact CD2-CD2 4.03Å; L555-L611 HydrophobicContact CG-CD2 4.35Å; L559-L611 HydrophobicContact CD1-CD2 3.37Å; F565-L611 HydrophobicContact CE2-CB 3.87Å; F565-L611 HydrophobicContact CZ-CB 4.23Å; F565-L611 HydrophobicContact CZ-CD1 4.26Å; I574-L611 HydrophobicContact CD1-CD1 3.5Å; I574-L611 HydrophobicContact CG1-CD1 3.64Å; L593-L611 HydrophobicContact CD1-CD2 3.84Å; L593-L611 HydrophobicContact CD1-CG 3.96Å; T607-L611 PolarHBondContact O-N 2.68Å; I608-L611 WeakPolarHBondContact O-CB 3.02Å; I608-L611 PolarHBondContact O-N 2.88Å; M609-L611 PolarHBondContact O-N 3.42Å; L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 3.17Å; L611-G614 PolarHBondContact O-N 3.46Å; L611-G614 VanDerWaalsContact O-N 3.16Å; L611-L615 HydrophobicContact CD1-CD1 4.39Å; L611-L615 HydrophobicContact CD1-CG 4.19Å; L611-L615 HydrophobicContact CG-CD1 4.21Å; L611-L615 HydrophobicContact CG-CG 4.47Å; L611-L615 WeakPolarHBondContact O-CG 3.41Å; L611-L615 PolarHBondContact O-N 3Å
612A90.8Very high80.3Confident0 Ų021.4 Ų21.40%013%0.133CC..Hα-helixtrans-57.1-47.7177.900000111.3S590 L593 I608 M609 G614 L615 L616 L681S590-A612 WeakPolarHBondContact OG-CA 3.23Å; S590-A612 PolarHBondContact OG-O 2.81Å; L593-A612 HydrophobicContact CB-CB 4.04Å; I608-A612 PolarHBondContact O-N 2.88Å; M609-A612 WeakPolarHBondContact O-CB 3.3Å; M609-A612 PolarHBondContact O-N 3.27Å; A612-G614 PolarHBondContact O-N 2.86Å; A612-L615 PolarHBondContact O-N 3.37Å; A612-L616 PolarHBondContact O-N 2.96Å; A612-L681 HydrophobicContact CB-CD1 3.75Å
613I90Very high81.3Confident4 Ų420.3 Ų20.32%0.02113%0.126CC..Hα-helixtrans-63.1-44.2176-61.4155.9000110.6M609 L611 L615 L616 A617 L681 T684 L685 F689M609-I613 HydrophobicContact CG-CD1 3.87Å; M609-I613 HydrophobicContact CG-CG1 4.48Å; M609-I613 WeakPolarHBondContact O-CD1 3.34Å; M609-I613 WeakPolarHBondContact O-CG1 3.34Å; M609-I613 PolarHBondContact O-N 3.01Å; L611-I613 VanDerWaalsContact C-N 3.34Å; L611-I613 PolarHBondContact O-N 3.17Å; I613-L615 VanDerWaalsContact C-N 3.29Å; I613-L615 PolarHBondContact O-N 2.97Å; I613-L616 PolarHBondContact O-N 3.34Å; I613-A617 VanDerWaalsContact O-CB 3.28Å; I613-A617 WeakPolarHBondContact O-CB 3.49Å; I613-A617 PolarHBondContact O-N 2.99Å; I613-L681 HydrophobicContact CG1-CD1 3.87Å; I613-T684 HydrophobicContact CD1-CG2 3.36Å; I613-T684 HydrophobicContact CG1-CG2 4.17Å; I613-L685 HydrophobicContact CG2-CB 4.46Å; I613-L685 HydrophobicContact CG2-CD1 4.12Å; I613-F689 HydrophobicContact CG2-CD2 3.9Å; I613-F689 HydrophobicContact CG2-CE2 3.68Å
614G90.4Very high81.8Confident5 Ų523.2 Ų23.25%0.05213%0.126CC..Hα-helixtrans-60.9-35.8178.900000113.2Q610 L611 A612 S618Q610-G614 PolarHBondContact O-N 2.93Å; L611-G614 PolarHBondContact O-N 3.46Å; L611-G614 VanDerWaalsContact O-N 3.16Å; A612-G614 PolarHBondContact O-N 2.86Å; G614-S618 WeakPolarHBondContact O-CB 3.47Å; G614-S618 PolarHBondContact O-N 3Å
615L92.8Very high82.1Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-63.5-50.8174.4-75.3169.3000111.4L539 L543 I574 T578 I586 L589 L593 L611 A612 I613 A617 S618L539-L615 HydrophobicContact CD1-CD2 4.21Å; L543-L615 HydrophobicContact CD2-CD2 4.43Å; I574-L615 HydrophobicContact CG2-CD2 3.92Å; I574-L615 HydrophobicContact CG2-CG 4.42Å; T578-L615 HydrophobicContact CG2-CD2 3.64Å; I586-L615 HydrophobicContact CG2-CB 3.96Å; I586-L615 HydrophobicContact CG2-CD2 4.24Å; I586-L615 WeakPolarHBondContact CG2-O 3.4Å; L589-L615 HydrophobicContact CD2-CD1 4.07Å; L589-L615 HydrophobicContact CG-CD1 4.14Å; L593-L615 HydrophobicContact CD1-CD1 3.93Å; L611-L615 HydrophobicContact CD1-CD1 4.39Å; L611-L615 HydrophobicContact CD1-CG 4.19Å; L611-L615 HydrophobicContact CG-CD1 4.21Å; L611-L615 HydrophobicContact CG-CG 4.47Å; L611-L615 WeakPolarHBondContact O-CG 3.41Å; L611-L615 PolarHBondContact O-N 3Å; A612-L615 PolarHBondContact O-N 3.37Å; I613-L615 VanDerWaalsContact C-N 3.29Å; I613-L615 PolarHBondContact O-N 2.97Å; L615-A617 PolarHBondContact O-N 3.07Å; L615-S618 WeakPolarHBondContact O-CB 3.39Å; L615-S618 PolarHBondContact O-N 3Å; L615-S618 PolarHBondContact O-OG 2.87Å
616L92.9Very high82Confident0 Ų030 Ų300%014%0.142CC..Hα-helixtrans-63.3-43.2176.8-63.4-178000111.5V587 S590 A612 I613 S618 I619 F620 L681 L685V587-L616 HydrophobicContact CB-CD2 4.45Å; V587-L616 HydrophobicContact CG2-CD2 4.06Å; S590-L616 WeakPolarHBondContact OG-CG 3.22Å; A612-L616 PolarHBondContact O-N 2.96Å; I613-L616 PolarHBondContact O-N 3.34Å; L616-S618 PolarHBondContact O-N 3.42Å; L616-I619 PolarHBondContact O-N 3.01Å; L616-I619 VanDerWaalsContact O-N 3.08Å; L616-F620 HydrophobicContact CB-CD2 4.07Å; L616-F620 HydrophobicContact CB-CE2 4.3Å; L616-F620 HydrophobicContact CD2-CE2 4.03Å; L616-F620 PolarHBondContact O-N 3.06Å; L616-L681 HydrophobicContact CD1-CD1 4.44Å; L616-L681 HydrophobicContact CD1-CD2 3.73Å; L616-L681 HydrophobicContact CD1-CG 3.83Å; L616-L685 HydrophobicContact CB-CD1 4.05Å; L616-L685 HydrophobicContact CB-CD2 3.91Å; L616-L685 HydrophobicContact CD1-CD2 4.17Å
617A91.1Very high80.7Confident0 Ų036.2 Ų36.20%017%0.172CC..Hα-helixtrans-60.7-33.7178.400000112.1I570 I613 L615 I619 T621 L685 F689I570-A617 HydrophobicContact CD1-CB 3.86Å; I570-A617 HydrophobicContact CG1-CB 3.96Å; I613-A617 VanDerWaalsContact O-CB 3.28Å; I613-A617 WeakPolarHBondContact O-CB 3.49Å; I613-A617 PolarHBondContact O-N 2.99Å; L615-A617 PolarHBondContact O-N 3.07Å; A617-I619 PolarHBondContact O-N 2.77Å; A617-I619 VanDerWaalsContact O-N 3.17Å; A617-T621 HydrophobicContact CB-CG2 4.07Å; A617-T621 WeakPolarHBondContact O-CB 3.27Å; A617-T621 WeakPolarHBondContact O-CG2 3.33Å; A617-T621 PolarHBondContact O-N 2.78Å; A617-T621 VanDerWaalsContact O-N 3.15Å; A617-T621 PolarHBondContact O-OG1 2.88Å; A617-L685 HydrophobicContact CB-CD1 3.9Å; A617-F689 HydrophobicContact CB-CD1 4.22Å; A617-F689 HydrophobicContact CB-CD2 3.78Å; A617-F689 HydrophobicContact CB-CE1 4.11Å; A617-F689 HydrophobicContact CB-CE2 3.68Å; A617-F689 HydrophobicContact CB-CG 4.03Å; A617-F689 HydrophobicContact CB-CZ 3.82Å
618S89.7Confident79.8Confident4 Ų438.5 Ų38.53%0.02819%0.187CC..Hα-helixtrans-62.5-21.2177.280.30000114.2T578 G614 L615 L616T578-S618 WeakPolarHBondContact CB-OG 3.38Å; T578-S618 WeakPolarHBondContact CG2-OG 3.38Å; T578-S618 WeakPolarHBondContact OG1-CB 3.31Å; T578-S618 PolarHBondContact OG1-OG 3.41Å; G614-S618 WeakPolarHBondContact O-CB 3.47Å; G614-S618 PolarHBondContact O-N 3Å; L615-S618 WeakPolarHBondContact O-CB 3.39Å; L615-S618 PolarHBondContact O-N 3Å; L615-S618 PolarHBondContact O-OG 2.87Å; L616-S618 PolarHBondContact O-N 3.42Å
619I88.6Confident79Confident2 Ų241.4 Ų41.41%0.0120%0.202CC..Hα-helixtrans-101.1-49176.2-59.1179.4000111.2P583 I586 L616 A617 T621 I633 A636P583-I619 HydrophobicContact CB-CD1 4.28Å; I586-I619 HydrophobicContact CB-CD1 3.67Å; I586-I619 HydrophobicContact CD1-CD1 3.63Å; I586-I619 HydrophobicContact CD1-CG1 4.15Å; I586-I619 HydrophobicContact CG1-CD1 4.25Å; I586-I619 HydrophobicContact CG2-CD1 3.56Å; I586-I619 HydrophobicContact CG2-CG1 4.15Å; L616-I619 PolarHBondContact O-N 3.01Å; L616-I619 VanDerWaalsContact O-N 3.08Å; A617-I619 PolarHBondContact O-N 2.77Å; A617-I619 VanDerWaalsContact O-N 3.17Å; I619-T621 PolarHBondContact O-N 3.44Å; I619-I633 HydrophobicContact CG2-CG1 4.21Å; I619-A636 HydrophobicContact CD1-CB 3.94Å; I619-A636 HydrophobicContact CG2-CB 3.76Å
620F89.9Confident78.3Confident0 Ų044.6 Ų44.60%022%0.219CC..Hα-helixtrans-87.1-1.5-167.3-62.3-38.1000115.2V587 L616 A636 I637 L640 L685 L693 I694 V697V587-F620 HydrophobicContact CG2-CZ 4.33Å; L616-F620 HydrophobicContact CB-CD2 4.07Å; L616-F620 HydrophobicContact CB-CE2 4.3Å; L616-F620 HydrophobicContact CD2-CE2 4.03Å; L616-F620 PolarHBondContact O-N 3.06Å; F620-A636 HydrophobicContact CE1-CB 3.49Å; F620-A636 VanDerWaalsContact CE1-CB 3.49Å; F620-A636 HydrophobicContact CZ-CB 3.69Å; F620-I637 HydrophobicContact CD1-CG1 4.18Å; F620-I637 HydrophobicContact CE1-CB 4.44Å; F620-I637 HydrophobicContact CE1-CG1 3.63Å; F620-I637 HydrophobicContact CZ-CG1 4.32Å; F620-L640 HydrophobicContact CE2-CD2 3.82Å; F620-L640 HydrophobicContact CZ-CD2 4.22Å; F620-L685 HydrophobicContact CD2-CD2 3.91Å; F620-L693 HydrophobicContact CB-CD2 3.86Å; F620-L693 WeakPolarHBondContact O-CA 3.28Å; F620-I694 WeakPolarHBondContact O-CG1 3.21Å; F620-I694 PolarHBondContact O-N 2.96Å; F620-V697 HydrophobicContact CB-CG1 4.14Å; F620-V697 HydrophobicContact CB-CG2 4.13Å; F620-V697 HydrophobicContact CD1-CG1 4.03Å; F620-V697 HydrophobicContact CD1-CG2 3.71Å; F620-V697 HydrophobicContact CG-CG1 4.01Å; F620-V697 HydrophobicContact CG-CG2 4.21Å
621T86.6Confident77.4Confident4 Ų446.7 Ų46.73%0.02523%0.227CC..BIsolated β-bridgetrans-113.6152.8178.571.70000112.8A617 I619 I623 F689 Q692 L693A617-T621 HydrophobicContact CB-CG2 4.07Å; A617-T621 WeakPolarHBondContact O-CB 3.27Å; A617-T621 WeakPolarHBondContact O-CG2 3.33Å; A617-T621 PolarHBondContact O-N 2.78Å; A617-T621 VanDerWaalsContact O-N 3.15Å; A617-T621 PolarHBondContact O-OG1 2.88Å; I619-T621 PolarHBondContact O-N 3.44Å; T621-I623 VanDerWaalsContact C-N 3.32Å; T621-I623 HydrophobicContact CG2-CD1 4.38Å; T621-I623 WeakPolarHBondContact OG1-CD1 3.34Å; T621-F689 HydrophobicContact CG2-CB 3.81Å; T621-F689 HydrophobicContact CG2-CD1 4.07Å; T621-F689 HydrophobicContact CG2-CG 4.12Å; T621-Q692 WeakPolarHBondContact CA-O 3.25Å; T621-Q692 WeakPolarHBondContact CB-O 3.41Å; T621-Q692 HydrophobicContact CG2-CB 4.27Å; T621-L693 HydrophobicContact CG2-CD2 4.16Å
622D77.6Confident77.1Confident88 Ų8848.1 Ų48.147%0.47123%0.232SC..  trans-87.14.2179.568.1-7.3000114.1Y624 K625 Q692 I694D622-Y624 PolarHBondContact O-N 3.22Å; D622-K625 PolarHBondContact O-N 2.85Å; D622-Q692 PolarHBondContact N-O 3.13Å; D622-Q692 VanDerWaalsContact N-O 3.12Å; D622-I694 HydrophobicContact CB-CG1 4.44Å
623I70.8Confident76.7Confident65 Ų6548.3 Ų48.333%0.33323%0.233SC..SBendtrans-54.6-35.1-166.6-61.3174.1000113.6I570 T621 F689 Q692I570-I623 HydrophobicContact CD1-CD1 3.86Å; I570-I623 HydrophobicContact CG1-CD1 4.42Å; T621-I623 VanDerWaalsContact C-N 3.32Å; T621-I623 HydrophobicContact CG2-CD1 4.38Å; T621-I623 WeakPolarHBondContact OG1-CD1 3.34Å; I623-F689 HydrophobicContact CD1-CD1 3.67Å; I623-F689 HydrophobicContact CD1-CE1 3.65Å; I623-Q692 HydrophobicContact CD1-CB 4.15Å; I623-Q692 HydrophobicContact CD1-CG 4.18Å; I623-Q692 HydrophobicContact CG1-CB 3.86Å; I623-Q692 HydrophobicContact CG1-CG 3.93Å
624Y62.4Low75.9Confident139 Ų13948.7 Ų48.755%0.54524%0.236SC..SBendtrans-127.1-8-175.8-65.5-73.1000114.6I570 M575 D622 K626I570-Y624 HydrophobicContact CB-CE2 4.27Å; M575-Y624 HydrophobicContact CE-CD2 4.17Å; M575-Y624 HydrophobicContact CE-CG 4.4Å; M575-Y624 HydrophobicContact CG-CD2 4.22Å; M575-Y624 HydrophobicContact SD-CD2 4.04Å; D622-Y624 PolarHBondContact O-N 3.22Å; Y624-K626 PolarHBondContact O-N 2.75Å
625K58.6Low75.3Confident50 Ų5048.6 Ų48.622%0.21723%0.234CC..  trans-93.6101.4-174.4-76.3-174.2-178.9177.70110.1D622 N627D622-K625 PolarHBondContact O-N 2.85Å; K625-N627 PolarHBondContact O-N 3.36Å
626K51.9Low75.1Confident211 Ų21148.6 Ų48.692%0.91723%0.234SC*.SBendtrans-64.9-26.2168-84.7-173176.2-1780112.8Y624Y624-K626 PolarHBondContact O-N 2.75Å
627N47Very low74.8Confident144 Ų14448.8 Ų48.877%0.7724%0.235SC*.SBendtrans-122.3111.9169.2-75.1-8.7000107.2K625 D629K625-N627 PolarHBondContact O-N 3.36Å; N627-D629 PolarHBondContact O-N 3.27Å; N627-D629 VanDerWaalsContact O-N 3.1Å
628T60.1Low74.4Confident62 Ų6250 Ų5038%0.3824%0.242SC..  trans-66.6107170.335.90000108.2N630 I633 I694T628-N630 PolarHBondContact O-N 3.19Å; T628-N630 PolarHBondContact O-OD1 3.25Å; T628-I633 HydrophobicContact CG2-CD1 4.24Å; T628-I694 HydrophobicContact CG2-CD1 3.88Å; T628-I694 HydrophobicContact CG2-CG1 4.43Å
629D68.9Low74.2Confident64 Ų6450 Ų5034%0.34224%0.242SC..  trans-66.986.3167.8-173.1-20.2000108.4N627 Y631 R632 I633N627-D629 PolarHBondContact O-N 3.27Å; N627-D629 VanDerWaalsContact O-N 3.1Å; D629-Y631 PolarHBondContact O-N 3.26Å; D629-Y631 WeakPolarHBondContact OD1-CB 3.36Å; D629-R632 HydrophobicContact CB-CB 4.36Å; D629-R632 HydrophobicContact CB-CG 4.4Å; D629-R632 PolarHBondContact O-N 3.4Å; D629-R632 PolarHBondContact OD1-N 3.09Å; D629-R632 WeakPolarHBondContact OD2-CD 3.47Å; D629-R632 VanDerWaalsContact OD2-CG 3.23Å; D629-R632 WeakPolarHBondContact OD2-CG 3.46Å; D629-I633 WeakPolarHBondContact O-CD1 3.4Å; D629-I633 WeakPolarHBondContact O-CG1 3.1Å; D629-I633 PolarHBondContact O-N 2.82Å
630N69.6Low74.4Confident72 Ų7250 Ų5039%0.38524%0.242SC..Hα-helixtrans-58.1-34.8-174.5-74.9-9.3000111.7T628 I633 S634T628-N630 PolarHBondContact O-N 3.19Å; T628-N630 PolarHBondContact O-OD1 3.25Å; N630-I633 PolarHBondContact O-N 3.14Å; N630-S634 PolarHBondContact O-N 3.09Å; N630-S634 PolarHBondContact O-OG 3.32Å
631Y66.7Low74.2Confident67 Ų6750 Ų5026%0.26324%0.242SC..Hα-helixtrans-57.3-56.9174.6156.6-115.4000111.3E280 D629 I633 S634 C635E280-Y631 VanDerWaalsContact C-CD2 3.4Å; E280-Y631 HydrophobicContact CB-CD2 3.58Å; E280-Y631 HydrophobicContact CB-CE2 3.47Å; E280-Y631 VanDerWaalsContact CB-CE2 3.47Å; E280-Y631 HydrophobicContact CG-CD2 3.97Å; E280-Y631 HydrophobicContact CG-CE2 3.88Å; E280-Y631 VanDerWaalsContact O-CB 3.26Å; E280-Y631 WeakPolarHBondContact O-CB 3.31Å; E280-Y631 WeakPolarHBondContact O-CD2 3.35Å; D629-Y631 PolarHBondContact O-N 3.26Å; D629-Y631 WeakPolarHBondContact OD1-CB 3.36Å; Y631-I633 PolarHBondContact O-N 3.33Å; Y631-S634 PolarHBondContact O-N 3.29Å; Y631-S634 VanDerWaalsContact O-N 3.09Å; Y631-S634 PolarHBondContact O-OG 3.15Å; Y631-C635 WeakPolarHBondContact CD2-SG 3.34Å; Y631-C635 WeakPolarHBondContact CE2-SG 3.26Å; Y631-C635 PolarHBondContact O-N 2.8Å; Y631-C635 VanDerWaalsContact O-N 3.12Å; Y631-C635 PolarHBondContact O-SG 3.16Å; Y631-C635 VanDerWaalsContact O-SG 3.34Å
632R82.8Confident74.1Confident30 Ų3050.3 Ų50.311%0.11324%0.244CC..Hα-helixtrans-60.4-29.1-178.8-69.2-177.564.7105.116.3112.6T578 Q579 A581 P583 D629 A636T578-R632 PolarHBondContact O-NH2 3.48Å; Q579-R632 PolarHBondContact O-NH1 3Å; Q579-R632 VanDerWaalsContact O-NH1 3.09Å; A581-R632 VanDerWaalsContact O-CZ 3.23Å; A581-R632 PolarHBondContact O-NH1 2.72Å; A581-R632 PolarHBondContact O-NH2 3.05Å; P583-R632 HydrophobicContact CB-CB 4.27Å; P583-R632 WeakPolarHBondContact CB-O 3.22Å; P583-R632 HydrophobicContact CG-CB 4.5Å; D629-R632 HydrophobicContact CB-CB 4.36Å; D629-R632 HydrophobicContact CB-CG 4.4Å; D629-R632 PolarHBondContact O-N 3.4Å; D629-R632 PolarHBondContact OD1-N 3.09Å; D629-R632 WeakPolarHBondContact OD2-CD 3.47Å; D629-R632 VanDerWaalsContact OD2-CG 3.23Å; D629-R632 WeakPolarHBondContact OD2-CG 3.46Å; R632-A636 VanDerWaalsContact O-CB 3.27Å; R632-A636 WeakPolarHBondContact O-CB 3.37Å; R632-A636 PolarHBondContact O-N 2.96Å
633I83.2Confident74.7Confident3 Ų346.6 Ų46.62%0.01522%0.223CC..Hα-helixtrans-73.3-46177.7-66.1157.1000110.5I619 T628 D629 N630 Y631 A636 I637 I694 V697I619-I633 HydrophobicContact CG2-CG1 4.21Å; T628-I633 HydrophobicContact CG2-CD1 4.24Å; D629-I633 WeakPolarHBondContact O-CD1 3.4Å; D629-I633 WeakPolarHBondContact O-CG1 3.1Å; D629-I633 PolarHBondContact O-N 2.82Å; N630-I633 PolarHBondContact O-N 3.14Å; Y631-I633 PolarHBondContact O-N 3.33Å; I633-A636 PolarHBondContact O-N 3.03Å; I633-I637 HydrophobicContact CG2-CD1 3.52Å; I633-I637 HydrophobicContact CG2-CG1 4.21Å; I633-I637 WeakPolarHBondContact O-CB 3.49Å; I633-I637 WeakPolarHBondContact O-CD1 3.35Å; I633-I637 WeakPolarHBondContact O-CG1 3.24Å; I633-I637 PolarHBondContact O-N 3.2Å; I633-I694 HydrophobicContact CD1-CD1 3.32Å; I633-I694 HydrophobicContact CG1-CD1 4Å; I633-V697 HydrophobicContact CG2-CG2 3.57Å
634S71.7Confident75.5Confident13 Ų1343.5 Ų43.59%0.09121%0.207CC..Hα-helixtrans-63.5-46.3-178.858.50000112.1L308 N630 Y631 A636 I637 N638L308-S634 WeakPolarHBondContact O-CB 3.49Å; L308-S634 PolarHBondContact O-OG 2.85Å; N630-S634 PolarHBondContact O-N 3.09Å; N630-S634 PolarHBondContact O-OG 3.32Å; Y631-S634 PolarHBondContact O-N 3.29Å; Y631-S634 VanDerWaalsContact O-N 3.09Å; Y631-S634 PolarHBondContact O-OG 3.15Å; S634-A636 VanDerWaalsContact C-N 3.35Å; S634-A636 PolarHBondContact O-N 2.84Å; S634-I637 PolarHBondContact O-N 2.7Å; S634-N638 WeakPolarHBondContact O-CB 3.16Å; S634-N638 PolarHBondContact O-N 3.16Å
635C78.5Confident76.3Confident2 Ų238.5 Ų38.51%0.01420%0.199CC..Hα-helixtrans-61.3-43.4177.2-57.10000112.1E280 P583 E584 Y631 N638 C639E280-C635 PolarHBondContact OE1-SG 2.91Å; E280-C635 PolarHBondContact OE2-SG 3.24Å; E280-C635 VanDerWaalsContact OE2-SG 3.34Å; P583-C635 HydrophobicContact CB-CB 4.17Å; P583-C635 HydrophobicContact CG-CB 3.63Å; E584-C635 WeakPolarHBondContact OE1-CB 3.37Å; Y631-C635 WeakPolarHBondContact CD2-SG 3.34Å; Y631-C635 WeakPolarHBondContact CE2-SG 3.26Å; Y631-C635 PolarHBondContact O-N 2.8Å; Y631-C635 VanDerWaalsContact O-N 3.12Å; Y631-C635 PolarHBondContact O-SG 3.16Å; Y631-C635 VanDerWaalsContact O-SG 3.34Å; C635-N638 PolarHBondContact O-N 2.9Å; C635-C639 WeakPolarHBondContact O-CB 3.39Å; C635-C639 PolarHBondContact O-N 3.13Å
636A89Confident77.3Confident0 Ų037.2 Ų37.20%020%0.197CC..Hα-helixtrans-65.9-42.5177.400000112.2P583 V587 I619 F620 R632 I633 S634 L640P583-A636 HydrophobicContact CB-CB 3.99Å; V587-A636 HydrophobicContact CG2-CB 3.72Å; I619-A636 HydrophobicContact CD1-CB 3.94Å; I619-A636 HydrophobicContact CG2-CB 3.76Å; F620-A636 HydrophobicContact CE1-CB 3.49Å; F620-A636 VanDerWaalsContact CE1-CB 3.49Å; F620-A636 HydrophobicContact CZ-CB 3.69Å; R632-A636 VanDerWaalsContact O-CB 3.27Å; R632-A636 WeakPolarHBondContact O-CB 3.37Å; R632-A636 PolarHBondContact O-N 2.96Å; I633-A636 PolarHBondContact O-N 3.03Å; S634-A636 VanDerWaalsContact C-N 3.35Å; S634-A636 PolarHBondContact O-N 2.84Å; A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 PolarHBondContact O-N 2.68Å
637I87.1Confident78.4Confident4 Ų427.7 Ų27.72%0.02116%0.156CC..Hα-helixtrans-60.7-49.3175.4-72.6162.3000109.6F620 I633 S634 C639 L640 L641 V697 C700F620-I637 HydrophobicContact CD1-CG1 4.18Å; F620-I637 HydrophobicContact CE1-CB 4.44Å; F620-I637 HydrophobicContact CE1-CG1 3.63Å; F620-I637 HydrophobicContact CZ-CG1 4.32Å; I633-I637 HydrophobicContact CG2-CD1 3.52Å; I633-I637 HydrophobicContact CG2-CG1 4.21Å; I633-I637 WeakPolarHBondContact O-CB 3.49Å; I633-I637 WeakPolarHBondContact O-CD1 3.35Å; I633-I637 WeakPolarHBondContact O-CG1 3.24Å; I633-I637 PolarHBondContact O-N 3.2Å; S634-I637 PolarHBondContact O-N 2.7Å; I637-C639 PolarHBondContact O-N 3.18Å; I637-L640 PolarHBondContact O-N 2.9Å; I637-L641 HydrophobicContact CG2-CD1 3.45Å; I637-L641 VanDerWaalsContact CG2-CD1 3.45Å; I637-L641 HydrophobicContact CG2-CG 4.23Å; I637-L641 WeakPolarHBondContact O-CB 3.21Å; I637-L641 WeakPolarHBondContact O-CD1 3.25Å; I637-L641 VanDerWaalsContact O-CG 3.29Å; I637-L641 WeakPolarHBondContact O-CG 3.23Å; I637-L641 PolarHBondContact O-N 3.04Å; I637-V697 HydrophobicContact CD1-CB 4.03Å; I637-V697 HydrophobicContact CD1-CG1 4.42Å; I637-V697 HydrophobicContact CD1-CG2 3.61Å; I637-V697 HydrophobicContact CG1-CB 4.3Å; I637-V697 HydrophobicContact CG1-CG1 4.14Å; I637-V697 HydrophobicContact CG1-CG2 3.96Å; I637-C700 HydrophobicContact CG2-CB 3.74Å
638N81Confident79.6Confident27 Ų2724.6 Ų24.614%0.14414%0.136CC..Hα-helixtrans-58.1-49.2-179.8-177.157.7000111.1N305 L308 S634 C635 L640 L641 V642 I647N305-N638 PolarHBondContact ND2-ND2 3.45Å; L308-N638 HydrophobicContact CD1-CB 4.25Å; S634-N638 WeakPolarHBondContact O-CB 3.16Å; S634-N638 PolarHBondContact O-N 3.16Å; C635-N638 PolarHBondContact O-N 2.9Å; N638-L640 PolarHBondContact O-N 2.98Å; N638-L641 PolarHBondContact O-N 3.23Å; N638-V642 WeakPolarHBondContact O-CG2 3.39Å; N638-V642 PolarHBondContact O-N 3.5Å; N638-V642 VanDerWaalsContact O-N 3.09Å; N638-I647 WeakPolarHBondContact OD1-CD1 3.43Å
639C87Confident80.2Confident4 Ų422.5 Ų22.53%0.02712%0.123CC..Hα-helixtrans-56.8-48.1175-174.70000111.3E584 V587 C635 I637 L641 V642 Y643E584-C639 HydrophobicContact CB-CB 4.27Å; E584-C639 HydrophobicContact CG-CB 4.32Å; V587-C639 HydrophobicContact CB-CB 4.41Å; V587-C639 HydrophobicContact CG1-CB 4.27Å; C635-C639 WeakPolarHBondContact O-CB 3.39Å; C635-C639 PolarHBondContact O-N 3.13Å; I637-C639 PolarHBondContact O-N 3.18Å; C639-L641 VanDerWaalsContact C-N 3.33Å; C639-L641 PolarHBondContact O-N 3.1Å; C639-V642 WeakPolarHBondContact O-CB 3.48Å; C639-V642 PolarHBondContact O-N 2.98Å; C639-Y643 WeakPolarHBondContact O-CD2 3.26Å; C639-Y643 PolarHBondContact O-N 2.98Å
640L91.7Very high80Confident0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-59.8-43.3179.217960.7000112V587 L591 F620 A636 I637 N638 V642 Y643 L644 L701V587-L640 HydrophobicContact CG1-CB 4.03Å; V587-L640 HydrophobicContact CG1-CD1 4.4Å; L591-L640 HydrophobicContact CD2-CD1 4.07Å; F620-L640 HydrophobicContact CE2-CD2 3.82Å; F620-L640 HydrophobicContact CZ-CD2 4.22Å; A636-L640 WeakPolarHBondContact O-CB 3.42Å; A636-L640 PolarHBondContact O-N 2.68Å; I637-L640 PolarHBondContact O-N 2.9Å; N638-L640 PolarHBondContact O-N 2.98Å; L640-V642 VanDerWaalsContact C-N 3.32Å; L640-V642 PolarHBondContact O-N 2.96Å; L640-Y643 PolarHBondContact O-N 3.17Å; L640-L644 HydrophobicContact CD1-CD1 4.15Å; L640-L644 HydrophobicContact CD1-CG 4.14Å; L640-L644 HydrophobicContact CD2-CD1 4.43Å; L640-L644 HydrophobicContact CG-CD1 3.87Å; L640-L644 HydrophobicContact CG-CG 4.28Å; L640-L644 VanDerWaalsContact O-CG 3.28Å; L640-L644 WeakPolarHBondContact O-CG 3.27Å; L640-L644 PolarHBondContact O-N 2.93Å; L640-L701 HydrophobicContact CD2-CD2 4.12Å
641L87.3Confident79.8Confident0 Ų024.2 Ų24.20%013%0.125CC..Hα-helixtrans-64.2-34.9179.9-74160.9000113.1I637 N638 C639 L644 G645 A646 I647 L701 L704I637-L641 HydrophobicContact CG2-CD1 3.45Å; I637-L641 VanDerWaalsContact CG2-CD1 3.45Å; I637-L641 HydrophobicContact CG2-CG 4.23Å; I637-L641 WeakPolarHBondContact O-CB 3.21Å; I637-L641 WeakPolarHBondContact O-CD1 3.25Å; I637-L641 VanDerWaalsContact O-CG 3.29Å; I637-L641 WeakPolarHBondContact O-CG 3.23Å; I637-L641 PolarHBondContact O-N 3.04Å; N638-L641 PolarHBondContact O-N 3.23Å; C639-L641 VanDerWaalsContact C-N 3.33Å; C639-L641 PolarHBondContact O-N 3.1Å; L641-L644 PolarHBondContact O-N 2.99Å; L641-G645 PolarHBondContact O-N 2.98Å; L641-A646 HydrophobicContact CB-CB 4.36Å; L641-A646 HydrophobicContact CD2-CB 3.83Å; L641-A646 PolarHBondContact O-N 2.81Å; L641-I647 HydrophobicContact CB-CD1 3.74Å; L641-I647 HydrophobicContact CB-CG1 3.98Å; L641-I647 HydrophobicContact CD1-CD1 3.94Å; L641-I647 HydrophobicContact CG-CD1 4.5Å; L641-I647 PolarHBondContact O-N 3.1Å; L641-L701 HydrophobicContact CD2-CD2 3.96Å; L641-L701 HydrophobicContact CG-CD2 4.39Å; L641-L704 HydrophobicContact CD1-CD1 3.37Å; L641-L704 HydrophobicContact CD2-CB 3.76Å; L641-L704 HydrophobicContact CD2-CD1 3.99Å; L641-L704 HydrophobicContact CG-CD1 4.25Å
642V84.1Confident79.5Confident12 Ų1226.6 Ų26.67%0.07314%0.143CC..Hα-helixtrans-60.1-50.2171.4170.90000110.4N638 C639 L640 L644 G645 I647 P649 D655N638-V642 WeakPolarHBondContact O-CG2 3.39Å; N638-V642 PolarHBondContact O-N 3.5Å; N638-V642 VanDerWaalsContact O-N 3.09Å; C639-V642 WeakPolarHBondContact O-CB 3.48Å; C639-V642 PolarHBondContact O-N 2.98Å; L640-V642 VanDerWaalsContact C-N 3.32Å; L640-V642 PolarHBondContact O-N 2.96Å; V642-L644 VanDerWaalsContact C-N 3.3Å; V642-L644 PolarHBondContact O-N 2.7Å; V642-G645 WeakPolarHBondContact O-CA 3.46Å; V642-G645 PolarHBondContact O-N 3.35Å; V642-I647 WeakPolarHBondContact CA-O 3.48Å; V642-I647 HydrophobicContact CG2-CB 3.99Å; V642-I647 HydrophobicContact CG2-CG2 3.97Å; V642-P649 HydrophobicContact CG1-CB 3.66Å; V642-P649 HydrophobicContact CG1-CG 4.49Å; V642-D655 HydrophobicContact CG1-CB 4.25Å
643Y88.6Confident78.8Confident9 Ų926.4 Ų26.44%0.03515%0.146CC..Hα-helixtrans-69.2-25.4179.9-80.3-93.6000113.6R588 L591 C639 L640 G645 D655 D658 Y678R588-Y643 HydrophobicContact CG-CE2 4.1Å; L591-Y643 VanDerWaalsContact CD1-CB 3.5Å; L591-Y643 HydrophobicContact CD1-CD1 3.7Å; L591-Y643 HydrophobicContact CD1-CD2 3.68Å; L591-Y643 HydrophobicContact CD1-CE1 4.32Å; L591-Y643 HydrophobicContact CD1-CE2 4.33Å; L591-Y643 HydrophobicContact CD1-CG 3.34Å; C639-Y643 WeakPolarHBondContact O-CD2 3.26Å; C639-Y643 PolarHBondContact O-N 2.98Å; L640-Y643 PolarHBondContact O-N 3.17Å; Y643-G645 PolarHBondContact O-N 3Å; Y643-D655 HydrophobicContact CE2-CB 4.15Å; Y643-D655 VanDerWaalsContact CE2-OD1 3.26Å; Y643-D655 WeakPolarHBondContact CE2-OD1 3.33Å; Y643-D655 VanDerWaalsContact CZ-OD1 3.29Å; Y643-D655 PolarHBondContact OH-OD1 2.84Å; Y643-D658 HydrophobicContact CE1-CB 4.03Å; Y643-D658 PolarHBondContact OH-OD2 3.39Å; Y643-Y678 AromaticContact CD1-CE2 3.79Å; Y643-Y678 HydrophobicContact CD1-CE2 3.79Å; Y643-Y678 WeakPolarHBondContact O-CD2 3.42Å
644L87.9Confident78.2Confident0 Ų031.9 Ų31.90%017%0.172CC..THydrogen-bonded Turntrans-77.1-6.3170.4-65.3176000112.7L640 L641 V642 A646 L679 T682 L701 L705 Q708L640-L644 HydrophobicContact CD1-CD1 4.15Å; L640-L644 HydrophobicContact CD1-CG 4.14Å; L640-L644 HydrophobicContact CD2-CD1 4.43Å; L640-L644 HydrophobicContact CG-CD1 3.87Å; L640-L644 HydrophobicContact CG-CG 4.28Å; L640-L644 VanDerWaalsContact O-CG 3.28Å; L640-L644 WeakPolarHBondContact O-CG 3.27Å; L640-L644 PolarHBondContact O-N 2.93Å; L641-L644 PolarHBondContact O-N 2.99Å; V642-L644 VanDerWaalsContact C-N 3.3Å; V642-L644 PolarHBondContact O-N 2.7Å; L644-A646 PolarHBondContact O-N 3.29Å; L644-L679 HydrophobicContact CD2-CD2 3.92Å; L644-L679 HydrophobicContact CD2-CG 4.13Å; L644-T682 HydrophobicContact CD1-CG2 4.49Å; L644-L701 HydrophobicContact CD1-CD2 4.02Å; L644-L705 HydrophobicContact CB-CD2 4.15Å; L644-L705 HydrophobicContact CD1-CD2 4.2Å; L644-Q708 PolarHBondContact O-NE2 2.92Å; L644-Q708 PolarHBondContact O-OE1 3.15Å
645G80Confident78.5Confident35 Ų3532.2 Ų32.236%0.36117%0.172SC..THydrogen-bonded Turntrans73.514-178.200000113.9L641 V642 Y643 Q708L641-G645 PolarHBondContact O-N 2.98Å; V642-G645 WeakPolarHBondContact O-CA 3.46Å; V642-G645 PolarHBondContact O-N 3.35Å; Y643-G645 PolarHBondContact O-N 3Å; G645-Q708 VanDerWaalsContact O-CD 3.27Å; G645-Q708 PolarHBondContact O-NE2 2.99Å
646A80.5Confident78.2Confident23 Ų2334.7 Ų34.719%0.1918%0.181CC..SBendtrans-77.8-29.2177.100000111.6L641 L644 L704 L705L641-A646 HydrophobicContact CB-CB 4.36Å; L641-A646 HydrophobicContact CD2-CB 3.83Å; L641-A646 PolarHBondContact O-N 2.81Å; L644-A646 PolarHBondContact O-N 3.29Å; A646-L704 HydrophobicContact CB-CB 4.12Å; A646-L705 HydrophobicContact CB-CD2 4.25Å
647I75Confident77.4Confident10 Ų1040.4 Ų40.45%0.05121%0.211CC..SBendtrans-119.2138.5173.1-61.3176.7000108I304 N638 L641 V642 L704I304-I647 HydrophobicContact CG2-CD1 3.96Å; N638-I647 WeakPolarHBondContact OD1-CD1 3.43Å; L641-I647 HydrophobicContact CB-CD1 3.74Å; L641-I647 HydrophobicContact CB-CG1 3.98Å; L641-I647 HydrophobicContact CD1-CD1 3.94Å; L641-I647 HydrophobicContact CG-CD1 4.5Å; L641-I647 PolarHBondContact O-N 3.1Å; V642-I647 WeakPolarHBondContact CA-O 3.48Å; V642-I647 HydrophobicContact CG2-CB 3.99Å; V642-I647 HydrophobicContact CG2-CG2 3.97Å; I647-L704 HydrophobicContact CD1-CD1 4.18Å; I647-L704 HydrophobicContact CG1-CD1 4.46Å
648K70.7Confident76.6Confident79 Ų7942.9 Ų42.934%0.34322%0.224SC..PPolyproline II helixtrans-70.7129.8176-169.3-178177.4-169.30109.4
649P73Confident76.3Confident18 Ų1842.7 Ų42.712%0.11723%0.225CC..PPolyproline II helixtrans-66.3148.3173.629.6-36.1000110.2V642 K651 W656 C659V642-P649 HydrophobicContact CG1-CB 3.66Å; V642-P649 HydrophobicContact CG1-CG 4.49Å; P649-K651 PolarHBondContact O-N 3.48Å; P649-W656 HydrophobicContact CB-CB 4.03Å; P649-W656 HydrophobicContact CG-CB 4.26Å; P649-W656 HydrophobicContact CG-CG 4.5Å; P649-C659 HydrophobicContact CB-CB 4.44Å; P649-C659 HydrophobicContact CG-CB 3.95Å
650E64.9Low75.1Confident76 Ų7643.3 Ų43.336%0.35523%0.229SC..PPolyproline II helixtrans-64.4129.9174.3172.3159.9-100.600111.4K273 D652 S653 W656K273-E650 WeakPolarHBondContact CD-OE1 3.17Å; K273-E650 IonicContact NZ-OE1 2.84Å; K273-E650 PolarHBondContact NZ-OE1 2.92Å; E650-D652 PolarHBondContact O-N 2.67Å; E650-S653 WeakPolarHBondContact O-CB 3.42Å; E650-S653 PolarHBondContact O-N 2.91Å; E650-S653 PolarHBondContact O-OG 2.81Å; E650-W656 WeakPolarHBondContact O-CB 3.49Å
651K64.6Low73.1Confident97 Ų9748.1 Ų48.142%0.42226%0.26SS..THydrogen-bonded Turntrans-53135.8179.4-164.2-179.4177.6-178.40110.5P649 S653 W656P649-K651 PolarHBondContact O-N 3.48Å; K651-S653 PolarHBondContact O-N 3.29Å; K651-W656 HydrophobicContact CG-CZ2 4.36Å
652D61.6Low71Confident116 Ų11650.9 Ų50.962%0.6228%0.277SS*.THydrogen-bonded Turntrans62.7-2.8-177.9-49.9-45.3000116.2E650E650-D652 PolarHBondContact O-N 2.67Å
653S67.8Low68.7Low27 Ų2756.1 Ų56.119%0.18931%0.309CS..SBendtrans-61.5157.7167.972.10000110.9E650 K651 D655 W656 I657E650-S653 WeakPolarHBondContact O-CB 3.42Å; E650-S653 PolarHBondContact O-N 2.91Å; E650-S653 PolarHBondContact O-OG 2.81Å; K651-S653 PolarHBondContact O-N 3.29Å; S653-D655 PolarHBondContact O-N 3.2Å; S653-D655 VanDerWaalsContact O-N 3.14Å; S653-W656 WeakPolarHBondContact O-CB 3.38Å; S653-W656 PolarHBondContact O-N 2.9Å; S653-W656 PolarHBondContact OG-N 3.12Å; S653-I657 PolarHBondContact O-N 3.35Å
654E70.1Confident66.2Low118 Ų11861.4 Ų61.455%0.55134%0.342SS*.Hα-helixtrans-55-36.4175.9-64.7-169.517200112K547K547-E654 PolarHBondContact NZ-O 2.93Å
655D78.3Confident63.9Low19 Ų1967.8 Ų67.810%0.10238%0.382CS..Hα-helixtrans-75.3-25.7-178.5-65-32.7000112.7K547 R588 V642 Y643 S653 D658 C659K547-D655 IonicContact NZ-OD1 3.95Å; R588-D655 IonicContact CZ-OD1 3.67Å; R588-D655 IonicContact CZ-OD2 2.69Å; R588-D655 IonicContact NE-OD1 2.76Å; R588-D655 PolarHBondContact NE-OD1 2.8Å; R588-D655 IonicContact NE-OD2 3.52Å; R588-D655 IonicContact NH2-OD1 3.63Å; R588-D655 PolarHBondContact NH2-OD1 3.23Å; R588-D655 IonicContact NH2-OD2 2.8Å; R588-D655 PolarHBondContact NH2-OD2 3.02Å; V642-D655 HydrophobicContact CG1-CB 4.25Å; Y643-D655 HydrophobicContact CE2-CB 4.15Å; Y643-D655 VanDerWaalsContact CE2-OD1 3.26Å; Y643-D655 WeakPolarHBondContact CE2-OD1 3.33Å; Y643-D655 VanDerWaalsContact CZ-OD1 3.29Å; Y643-D655 PolarHBondContact OH-OD1 2.84Å; S653-D655 PolarHBondContact O-N 3.2Å; S653-D655 VanDerWaalsContact O-N 3.14Å; D655-D658 PolarHBondContact O-N 2.88Å; D655-C659 VanDerWaalsContact O-CB 3.27Å; D655-C659 WeakPolarHBondContact O-CB 3.13Å; D655-C659 PolarHBondContact O-N 2.75Å; D655-C659 PolarHBondContact O-SG 3.14Å
656W71.3Confident62.1Low54 Ų5471.9 Ų71.921%0.20540%0.4CS..Hα-helixtrans-65.9-37.5173.9-179.395.8000112.4P649 E650 K651 S653 D658 C659 S660 T662P649-W656 HydrophobicContact CB-CB 4.03Å; P649-W656 HydrophobicContact CG-CB 4.26Å; P649-W656 HydrophobicContact CG-CG 4.5Å; E650-W656 WeakPolarHBondContact O-CB 3.49Å; K651-W656 HydrophobicContact CG-CZ2 4.36Å; S653-W656 WeakPolarHBondContact O-CB 3.38Å; S653-W656 PolarHBondContact O-N 2.9Å; S653-W656 PolarHBondContact OG-N 3.12Å; W656-D658 PolarHBondContact O-N 2.75Å; W656-C659 PolarHBondContact O-N 2.95Å; W656-S660 PolarHBondContact NE1-OG 3.48Å; W656-S660 WeakPolarHBondContact O-CA 3.34Å; W656-S660 WeakPolarHBondContact O-CB 3.47Å; W656-S660 PolarHBondContact O-N 3.47Å; W656-S660 PolarHBondContact O-OG 3.38Å; W656-S660 VanDerWaalsContact O-OG 3.11Å; W656-T662 HydrophobicContact CH2-CG2 4.06Å; W656-T662 WeakPolarHBondContact CH2-OG1 3.32Å; W656-T662 HydrophobicContact CZ2-CG2 3.8Å
657I73.2Confident60.3Low121 Ų12172.8 Ų72.862%0.62141%0.405SS*.Hα-helixtrans-60.2-37.6175.9-61.6170.6000111.1S653S653-I657 PolarHBondContact O-N 3.35Å
658D71.2Confident58.8Low55 Ų5574 Ų7429%0.29442%0.419SS..Hα-helixtrans-84-27.8-178-76.5-35.4000113.8K547 Y643 D655 W656K547-D658 IonicContact NZ-OD2 3.29Å; K547-D658 PolarHBondContact NZ-OD2 3.45Å; Y643-D658 HydrophobicContact CE1-CB 4.03Å; Y643-D658 PolarHBondContact OH-OD2 3.39Å; D655-D658 PolarHBondContact O-N 2.88Å; W656-D658 PolarHBondContact O-N 2.75Å
659C73.1Confident58Low24 Ų2474 Ų7416%0.16243%0.429CS..Hα-helixtrans-104.9-22.1-172.3-61.40000113.8P649 D655 W656 V671P649-C659 HydrophobicContact CB-CB 4.44Å; P649-C659 HydrophobicContact CG-CB 3.95Å; D655-C659 VanDerWaalsContact O-CB 3.27Å; D655-C659 WeakPolarHBondContact O-CB 3.13Å; D655-C659 PolarHBondContact O-N 2.75Å; D655-C659 PolarHBondContact O-SG 3.14Å; W656-C659 PolarHBondContact O-N 2.95Å; C659-V671 WeakPolarHBondContact O-CG1 3.43Å
660S62.5Low57.6Low16 Ų1677.7 Ų77.711%0.11245%0.448CS..  trans-85.7137.8-174.5-67.80000113W656 T662W656-S660 PolarHBondContact NE1-OG 3.48Å; W656-S660 WeakPolarHBondContact O-CA 3.34Å; W656-S660 WeakPolarHBondContact O-CB 3.47Å; W656-S660 PolarHBondContact O-N 3.47Å; W656-S660 PolarHBondContact O-OG 3.38Å; W656-S660 VanDerWaalsContact O-OG 3.11Å; S660-T662 PolarHBondContact O-N 3.29Å
661P50.1Low57.7Low101 Ų10175.1 Ų75.166%0.65644%0.438SS*.  trans-81.360.3172.533.4-33.7000110.9
662T43.1Very low57.8Low59 Ų5975.9 Ų75.936%0.36244%0.441SS..  trans-109.1136.3-177.934.10000113.5W656 S660W656-T662 HydrophobicContact CH2-CG2 4.06Å; W656-T662 WeakPolarHBondContact CH2-OG1 3.32Å; W656-T662 HydrophobicContact CZ2-CG2 3.8Å; S660-T662 PolarHBondContact O-N 3.29Å
663T36.4Very low58.4Low122 Ų12274.6 Ų74.675%0.74843%0.43SS*.SBendtrans66.4115.5166.947.70000120.2
664T35.5Very low59Low119 Ų11974 Ų7473%0.7343%0.425SS*.SBendtrans66.596.8160.852.60000118.7T666T664-T666 PolarHBondContact O-N 3.49Å
665T38.5Very low59.6Low135 Ų13570.4 Ų70.483%0.82841%0.409SS*.THydrogen-bonded Turntrans36.166.4145.655.70000117.5
666T43.5Very low59.8Low120 Ų12072.8 Ų72.874%0.73642%0.419SS*.THydrogen-bonded Turntrans157.6-11.7147.636.60000113.2T664 S669T664-T666 PolarHBondContact O-N 3.49Å; T666-S669 PolarHBondContact O-OG 3.25Å; T666-S669 VanDerWaalsContact O-OG 3.1Å
667S41.4Very low60.3Low43 Ų4371 Ų7130%0.30141%0.413SS..Hα-helixtrans-71.1-32.4-175.5590000115.4S669 N670 V671S667-S669 PolarHBondContact O-N 2.97Å; S667-S669 VanDerWaalsContact O-N 3.15Å; S667-N670 WeakPolarHBondContact O-CA 3.33Å; S667-N670 WeakPolarHBondContact O-CB 3.24Å; S667-N670 PolarHBondContact O-N 2.93Å; S667-V671 PolarHBondContact O-N 2.94Å
668G43.8Very low61.1Low34 Ų3465.6 Ų65.635%0.35139%0.385SS..Hα-helixtrans-61.6-26.2-17500000115.1
669S53.6Low61.9Low79 Ų7963.1 Ų63.155%0.55237%0.372SS*.Hα-helixtrans-72.3-33.217255.20000112.3T666 S667 F673T666-S669 PolarHBondContact O-OG 3.25Å; T666-S669 VanDerWaalsContact O-OG 3.1Å; S667-S669 PolarHBondContact O-N 2.97Å; S667-S669 VanDerWaalsContact O-N 3.15Å; S669-F673 WeakPolarHBondContact O-CB 3.27Å; S669-F673 PolarHBondContact O-N 3.18Å
670N64.5Low62.6Low96 Ų9666 Ų6651%0.51338%0.379SS..Hα-helixtrans-69.7-42.3179.6-71.8-11.9000111.5S667 K672 F673 N674S667-N670 WeakPolarHBondContact O-CA 3.33Å; S667-N670 WeakPolarHBondContact O-CB 3.24Å; S667-N670 PolarHBondContact O-N 2.93Å; N670-K672 PolarHBondContact O-N 3.42Å; N670-F673 WeakPolarHBondContact O-CB 3.29Å; N670-F673 PolarHBondContact O-N 2.81Å; N670-N674 WeakPolarHBondContact O-CB 3.03Å; N670-N674 PolarHBondContact O-N 3.33Å; N670-N674 PolarHBondContact O-ND2 2.77Å; N670-N674 VanDerWaalsContact O-ND2 3.13Å; N670-N674 PolarHBondContact O-OD1 3.28Å
671V67.1Low63.9Low22 Ų2265.2 Ų65.213%0.13337%0.374CS..Hα-helixtrans-58.6-48.5177.7178.40000110.9C659 S667 F673 N674 I675C659-V671 WeakPolarHBondContact O-CG1 3.43Å; S667-V671 PolarHBondContact O-N 2.94Å; V671-F673 VanDerWaalsContact C-N 3.33Å; V671-F673 PolarHBondContact O-N 3.01Å; V671-N674 WeakPolarHBondContact O-CB 3.3Å; V671-N674 PolarHBondContact O-N 2.78Å; V671-I675 HydrophobicContact CG1-CD1 4.28Å; V671-I675 WeakPolarHBondContact O-CG1 3.49Å; V671-I675 PolarHBondContact O-N 2.91Å; V671-I675 VanDerWaalsContact O-N 3.07Å
672K68.4Low65.8Low114 Ų11460.4 Ų60.450%0.49634%0.343SS..Hα-helixtrans-61.5-40.9177.3-73.3-178.7179.41740112.4N670 L719N670-K672 PolarHBondContact O-N 3.42Å; K672-L719 HydrophobicContact CD-CD2 4.1Å; K672-L719 VanDerWaalsContact NZ-CD1 3.34Å
673F73.7Confident68.1Low89 Ų8959.1 Ų59.139%0.3933%0.332SS..Hα-helixtrans-63.3-41.9175.9-174.9-103.1000111.6S669 N670 V671 I675 Q676 H677S669-F673 WeakPolarHBondContact O-CB 3.27Å; S669-F673 PolarHBondContact O-N 3.18Å; N670-F673 WeakPolarHBondContact O-CB 3.29Å; N670-F673 PolarHBondContact O-N 2.81Å; V671-F673 VanDerWaalsContact C-N 3.33Å; V671-F673 PolarHBondContact O-N 3.01Å; F673-I675 PolarHBondContact O-N 3.37Å; F673-Q676 WeakPolarHBondContact O-CB 3.09Å; F673-Q676 PolarHBondContact O-N 3.3Å; F673-H677 AromaticContact CD1-CD2 3.84Å; F673-H677 AromaticContact CD1-NE2 3.8Å; F673-H677 AromaticContact CE1-CD2 3.62Å; F673-H677 AromaticContact CE1-NE2 3.1Å; F673-H677 WeakPolarHBondContact CE1-NE2 3.32Å; F673-H677 AromaticContact CE2-NE2 3.92Å; F673-H677 AromaticContact CZ-NE2 3.17Å; F673-H677 WeakPolarHBondContact CZ-NE2 3.29Å; F673-H677 PolarHBondContact O-CD2 3.25Å; F673-H677 VanDerWaalsContact O-CD2 3.28Å; F673-H677 PolarHBondContact O-N 3.45Å
674N80.5Confident70.6Confident15 Ų1553.8 Ų53.88%0.0830%0.299CS..Hα-helixtrans-63.4-43178.9-65-24.8000112.4R595 N670 V671 Q676 H677 Y678R595-N674 PolarHBondContact NE-OD1 3.06Å; R595-N674 PolarHBondContact NH1-ND2 3.03Å; R595-N674 VanDerWaalsContact NH1-ND2 3.12Å; R595-N674 PolarHBondContact NH2-ND2 3.24Å; N670-N674 WeakPolarHBondContact O-CB 3.03Å; N670-N674 PolarHBondContact O-N 3.33Å; N670-N674 PolarHBondContact O-ND2 2.77Å; N670-N674 VanDerWaalsContact O-ND2 3.13Å; N670-N674 PolarHBondContact O-OD1 3.28Å; V671-N674 WeakPolarHBondContact O-CB 3.3Å; V671-N674 PolarHBondContact O-N 2.78Å; N674-Q676 PolarHBondContact O-N 3.44Å; N674-H677 WeakPolarHBondContact O-CB 3.48Å; N674-H677 PolarHBondContact O-N 3.43Å; N674-Y678 HydrophobicContact CB-CE2 3.9Å; N674-Y678 WeakPolarHBondContact O-CD1 3.39Å; N674-Y678 WeakPolarHBondContact O-CD2 3.44Å; N674-Y678 PolarHBondContact O-N 2.92Å
675I82.7Confident73.2Confident41 Ų4148.2 Ų48.221%0.2127%0.265CS..Hα-helixtrans-57.1-37.4177.9-69.9168.8000111.2V671 F673 H677 Y678 L679V671-I675 HydrophobicContact CG1-CD1 4.28Å; V671-I675 WeakPolarHBondContact O-CG1 3.49Å; V671-I675 PolarHBondContact O-N 2.91Å; V671-I675 VanDerWaalsContact O-N 3.07Å; F673-I675 PolarHBondContact O-N 3.37Å; I675-H677 VanDerWaalsContact C-N 3.34Å; I675-H677 PolarHBondContact O-N 3.35Å; I675-Y678 PolarHBondContact O-N 2.74Å; I675-L679 HydrophobicContact CG2-CD1 3.87Å; I675-L679 HydrophobicContact CG2-CG 4.24Å; I675-L679 WeakPolarHBondContact O-CB 3.27Å; I675-L679 WeakPolarHBondContact O-CG 3.4Å; I675-L679 PolarHBondContact O-N 2.56Å
676Q81.2Confident75.6Confident69 Ų6942 Ų4232%0.32223%0.226SC..Hα-helixtrans-64.2-38.6176.3-66.4-171.5-11.700112.6F673 N674 Y678 R680 H721F673-Q676 WeakPolarHBondContact O-CB 3.09Å; F673-Q676 PolarHBondContact O-N 3.3Å; N674-Q676 PolarHBondContact O-N 3.44Å; Q676-Y678 VanDerWaalsContact C-N 3.34Å; Q676-R680 WeakPolarHBondContact O-CB 3.29Å; Q676-R680 PolarHBondContact O-N 2.88Å; Q676-H721 PolarHBondContact NE2-O 3.41Å
677H83.3Confident77.7Confident18 Ų1840.9 Ų40.98%0.08322%0.216CC..Hα-helixtrans-63.8-41.7174.4-75.5-74000111.6R595 F673 N674 I675 R680 L681R595-H677 HydrophobicContact CG-CB 4.19Å; F673-H677 AromaticContact CD1-CD2 3.84Å; F673-H677 AromaticContact CD1-NE2 3.8Å; F673-H677 AromaticContact CE1-CD2 3.62Å; F673-H677 AromaticContact CE1-NE2 3.1Å; F673-H677 WeakPolarHBondContact CE1-NE2 3.32Å; F673-H677 AromaticContact CE2-NE2 3.92Å; F673-H677 AromaticContact CZ-NE2 3.17Å; F673-H677 WeakPolarHBondContact CZ-NE2 3.29Å; F673-H677 PolarHBondContact O-CD2 3.25Å; F673-H677 VanDerWaalsContact O-CD2 3.28Å; F673-H677 PolarHBondContact O-N 3.45Å; N674-H677 WeakPolarHBondContact O-CB 3.48Å; N674-H677 PolarHBondContact O-N 3.43Å; I675-H677 VanDerWaalsContact C-N 3.34Å; I675-H677 PolarHBondContact O-N 3.35Å; H677-R680 PolarHBondContact O-N 2.9Å; H677-L681 WeakPolarHBondContact O-CB 3.28Å; H677-L681 PolarHBondContact O-N 3.1Å
678Y89.3Confident79.8Confident7 Ų743.7 Ų43.73%0.02722%0.221CC..Hα-helixtrans-67.6-44.5179.1-52.2-27.4000111.8L591 R595 Y643 N674 I675 Q676 R680 L681 T682L591-Y678 HydrophobicContact CB-CD1 3.94Å; L591-Y678 HydrophobicContact CB-CE1 3.64Å; L591-Y678 HydrophobicContact CD2-CD1 3.4Å; L591-Y678 HydrophobicContact CD2-CD2 4.38Å; L591-Y678 HydrophobicContact CD2-CE1 4.01Å; L591-Y678 HydrophobicContact CD2-CG 3.61Å; L591-Y678 HydrophobicContact CG-CD1 4.21Å; L591-Y678 HydrophobicContact CG-CE1 4.35Å; R595-Y678 WeakPolarHBondContact CD-OH 3.01Å; R595-Y678 HydrophobicContact CG-CE1 3.75Å; R595-Y678 PolarHBondContact NH1-OH 3.05Å; Y643-Y678 AromaticContact CD1-CE2 3.79Å; Y643-Y678 HydrophobicContact CD1-CE2 3.79Å; Y643-Y678 WeakPolarHBondContact O-CD2 3.42Å; N674-Y678 HydrophobicContact CB-CE2 3.9Å; N674-Y678 WeakPolarHBondContact O-CD1 3.39Å; N674-Y678 WeakPolarHBondContact O-CD2 3.44Å; N674-Y678 PolarHBondContact O-N 2.92Å; I675-Y678 PolarHBondContact O-N 2.74Å; Q676-Y678 VanDerWaalsContact C-N 3.34Å; Y678-R680 VanDerWaalsContact C-N 3.3Å; Y678-R680 PolarHBondContact O-N 2.89Å; Y678-L681 WeakPolarHBondContact O-CB 3.45Å; Y678-L681 PolarHBondContact O-N 2.99Å; Y678-T682 PolarHBondContact O-N 2.9Å; Y678-T682 PolarHBondContact O-OG1 3.46Å
679L88.1Confident81.9Confident2 Ų242.4 Ų42.41%0.0121%0.206CC..Hα-helixtrans-58.8-42.5172.5-72.5168.2000111L644 I675 L681 T682 K683 L725 R726 I729L644-L679 HydrophobicContact CD2-CD2 3.92Å; L644-L679 HydrophobicContact CD2-CG 4.13Å; I675-L679 HydrophobicContact CG2-CD1 3.87Å; I675-L679 HydrophobicContact CG2-CG 4.24Å; I675-L679 WeakPolarHBondContact O-CB 3.27Å; I675-L679 WeakPolarHBondContact O-CG 3.4Å; I675-L679 PolarHBondContact O-N 2.56Å; L679-L681 PolarHBondContact O-N 3.23Å; L679-T682 PolarHBondContact O-N 3.3Å; L679-K683 WeakPolarHBondContact O-CB 3.01Å; L679-K683 PolarHBondContact O-N 3.17Å; L679-L725 HydrophobicContact CB-CD2 3.68Å; L679-L725 HydrophobicContact CB-CG 4.11Å; L679-R726 HydrophobicContact CD2-CB 4.29Å; L679-R726 HydrophobicContact CD2-CG 4.29Å; L679-I729 HydrophobicContact CB-CD1 4.08Å; L679-I729 HydrophobicContact CD2-CD1 3.66Å; L679-I729 VanDerWaalsContact O-CD1 3.32Å; L679-I729 WeakPolarHBondContact O-CD1 3.41Å
680R87.4Confident83.5Confident85 Ų8538.7 Ų38.732%0.32118%0.179SC..Hα-helixtrans-64.3-41.5177.5-175.2177177.4-167.1-5112Q676 H677 Y678 K683 T684 L725Q676-R680 WeakPolarHBondContact O-CB 3.29Å; Q676-R680 PolarHBondContact O-N 2.88Å; H677-R680 PolarHBondContact O-N 2.9Å; Y678-R680 VanDerWaalsContact C-N 3.3Å; Y678-R680 PolarHBondContact O-N 2.89Å; R680-K683 PolarHBondContact O-N 2.8Å; R680-T684 WeakPolarHBondContact O-CB 3.37Å; R680-T684 PolarHBondContact O-N 3.24Å; R680-T684 PolarHBondContact O-OG1 3.21Å; R680-L725 HydrophobicContact CB-CD2 4.01Å
681L89.5Confident84.4Confident0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-60.2-49.5174.6176.268.7000110.8S590 L591 M609 A612 I613 L616 H677 Y678 L679 K683 T684 L685S590-L681 WeakPolarHBondContact OG-CD2 3.36Å; L591-L681 HydrophobicContact CD2-CD2 3.98Å; M609-L681 HydrophobicContact SD-CD1 3.84Å; A612-L681 HydrophobicContact CB-CD1 3.75Å; I613-L681 HydrophobicContact CG1-CD1 3.87Å; L616-L681 HydrophobicContact CD1-CD1 4.44Å; L616-L681 HydrophobicContact CD1-CD2 3.73Å; L616-L681 HydrophobicContact CD1-CG 3.83Å; H677-L681 WeakPolarHBondContact O-CB 3.28Å; H677-L681 PolarHBondContact O-N 3.1Å; Y678-L681 WeakPolarHBondContact O-CB 3.45Å; Y678-L681 PolarHBondContact O-N 2.99Å; L679-L681 PolarHBondContact O-N 3.23Å; L681-K683 PolarHBondContact O-N 2.92Å; L681-T684 PolarHBondContact O-N 3.34Å; L681-L685 PolarHBondContact O-N 3.12Å
682T91.3Very high85.4Confident0 Ų040.1 Ų40.10%019%0.188CC..Hα-helixtrans-60.6-45.2177.8-57.90000111.7L644 Y678 L679 T684 L685 I686 L701 I729L644-T682 HydrophobicContact CD1-CG2 4.49Å; Y678-T682 PolarHBondContact O-N 2.9Å; Y678-T682 PolarHBondContact O-OG1 3.46Å; L679-T682 PolarHBondContact O-N 3.3Å; T682-T684 VanDerWaalsContact C-N 3.29Å; T682-T684 PolarHBondContact O-N 3.31Å; T682-L685 WeakPolarHBondContact O-CB 3.42Å; T682-L685 PolarHBondContact O-N 3.28Å; T682-I686 HydrophobicContact CG2-CD1 4.05Å; T682-I686 WeakPolarHBondContact O-CD1 3.28Å; T682-I686 VanDerWaalsContact O-CG1 3.31Å; T682-I686 WeakPolarHBondContact O-CG1 3.41Å; T682-I686 PolarHBondContact O-N 3.44Å; T682-L701 HydrophobicContact CG2-CD1 4.38Å; T682-I729 HydrophobicContact CG2-CD1 4.39Å; T682-I729 HydrophobicContact CG2-CG2 4.43Å
683K90.1Very high86.3Confident32 Ų3234.8 Ų34.814%0.13917%0.166CC..Hα-helixtrans-59.3-43.1175.4-176.759.6171.172.80111.6L679 R680 L681 I686 D687 L725 D728 I729 S732L679-K683 WeakPolarHBondContact O-CB 3.01Å; L679-K683 PolarHBondContact O-N 3.17Å; R680-K683 PolarHBondContact O-N 2.8Å; L681-K683 PolarHBondContact O-N 2.92Å; K683-I686 PolarHBondContact O-N 3.02Å; K683-D687 IonicContact NZ-OD1 2.8Å; K683-D687 PolarHBondContact NZ-OD1 2.9Å; K683-D687 IonicContact NZ-OD2 2.67Å; K683-D687 PolarHBondContact NZ-OD2 3.44Å; K683-D687 VanDerWaalsContact O-CG 3.24Å; K683-D687 PolarHBondContact O-N 3.37Å; K683-L725 HydrophobicContact CB-CD1 4.06Å; K683-L725 HydrophobicContact CG-CD1 4.01Å; K683-D728 HydrophobicContact CD-CB 4.44Å; K683-I729 HydrophobicContact CB-CD1 4.19Å; K683-I729 HydrophobicContact CB-CG1 3.75Å; K683-I729 HydrophobicContact CD-CG1 3.85Å; K683-I729 HydrophobicContact CG-CG1 4.32Å; K683-S732 WeakPolarHBondContact CE-OG 3.26Å
684T88.2Confident86.8Confident9 Ų931.1 Ų31.16%0.05515%0.15CC..Hα-helixtrans-67.5-39.3179.7-51.20000111.6V604 I613 R680 L681 T682 I686 D687 Y688V604-T684 HydrophobicContact CG1-CG2 3.48Å; V604-T684 VanDerWaalsContact CG1-CG2 3.48Å; I613-T684 HydrophobicContact CD1-CG2 3.36Å; I613-T684 HydrophobicContact CG1-CG2 4.17Å; R680-T684 WeakPolarHBondContact O-CB 3.37Å; R680-T684 PolarHBondContact O-N 3.24Å; R680-T684 PolarHBondContact O-OG1 3.21Å; L681-T684 PolarHBondContact O-N 3.34Å; T682-T684 VanDerWaalsContact C-N 3.29Å; T682-T684 PolarHBondContact O-N 3.31Å; T684-I686 VanDerWaalsContact C-N 3.32Å; T684-I686 PolarHBondContact O-N 3.06Å; T684-D687 PolarHBondContact O-N 3.37Å; T684-Y688 HydrophobicContact CG2-CD2 3.72Å; T684-Y688 HydrophobicContact CG2-CE2 3.73Å; T684-Y688 WeakPolarHBondContact O-CD2 3.29Å; T684-Y688 PolarHBondContact O-N 2.92Å; T684-Y688 VanDerWaalsContact O-N 3.09Å
685L90.4Very high86.8Confident2 Ų232.9 Ų32.91%0.0116%0.162CC..Hα-helixtrans-55.2-48.9171.1172.871.9000110.9I613 L616 A617 F620 L681 T682 D687 Y688 F689 L693I613-L685 HydrophobicContact CG2-CB 4.46Å; I613-L685 HydrophobicContact CG2-CD1 4.12Å; L616-L685 HydrophobicContact CB-CD1 4.05Å; L616-L685 HydrophobicContact CB-CD2 3.91Å; L616-L685 HydrophobicContact CD1-CD2 4.17Å; A617-L685 HydrophobicContact CB-CD1 3.9Å; F620-L685 HydrophobicContact CD2-CD2 3.91Å; L681-L685 PolarHBondContact O-N 3.12Å; T682-L685 WeakPolarHBondContact O-CB 3.42Å; T682-L685 PolarHBondContact O-N 3.28Å; L685-D687 VanDerWaalsContact C-N 3.33Å; L685-D687 PolarHBondContact O-N 3.29Å; L685-Y688 PolarHBondContact O-N 3.06Å; L685-F689 HydrophobicContact CD1-CB 4.36Å; L685-F689 HydrophobicContact CD1-CD2 4.01Å; L685-F689 WeakPolarHBondContact O-CB 3.35Å; L685-F689 PolarHBondContact O-N 2.91Å; L685-L693 HydrophobicContact CD2-CD2 4.27Å; L685-L693 HydrophobicContact CG-CD2 4.31Å
686I89.6Confident86.4Confident4 Ų432.3 Ų32.32%0.02116%0.162CC..Hα-helixtrans-63.8-39.4179.3-63.1157.7000111.3T682 K683 T684 Y688 G690 L693 I729 L733T682-I686 HydrophobicContact CG2-CD1 4.05Å; T682-I686 WeakPolarHBondContact O-CD1 3.28Å; T682-I686 VanDerWaalsContact O-CG1 3.31Å; T682-I686 WeakPolarHBondContact O-CG1 3.41Å; T682-I686 PolarHBondContact O-N 3.44Å; K683-I686 PolarHBondContact O-N 3.02Å; T684-I686 VanDerWaalsContact C-N 3.32Å; T684-I686 PolarHBondContact O-N 3.06Å; I686-Y688 VanDerWaalsContact C-N 3.35Å; I686-Y688 PolarHBondContact O-N 2.99Å; I686-G690 WeakPolarHBondContact O-CA 3.25Å; I686-G690 PolarHBondContact O-N 3.24Å; I686-L693 HydrophobicContact CB-CD1 4.43Å; I686-L693 HydrophobicContact CG1-CD1 3.85Å; I686-I729 HydrophobicContact CD1-CB 4.45Å; I686-I729 HydrophobicContact CD1-CG1 4.46Å; I686-I729 HydrophobicContact CD1-CG2 3.69Å; I686-L733 HydrophobicContact CD1-CD1 4.12Å; I686-L733 HydrophobicContact CD1-CD2 3.63Å; I686-L733 HydrophobicContact CD1-CG 3.72Å; I686-L733 HydrophobicContact CG1-CD2 3.8Å; I686-L733 HydrophobicContact CG1-CG 4.41Å; I686-L733 HydrophobicContact CG2-CD2 4.35Å
687D87.5Confident86.5Confident97 Ų9729 Ų2952%0.51915%0.147SC..Hα-helixtrans-66.1-36-179.5-72-22.7000112.9K683 T684 L685K683-D687 IonicContact NZ-OD1 2.8Å; K683-D687 PolarHBondContact NZ-OD1 2.9Å; K683-D687 IonicContact NZ-OD2 2.67Å; K683-D687 PolarHBondContact NZ-OD2 3.44Å; K683-D687 VanDerWaalsContact O-CG 3.24Å; K683-D687 PolarHBondContact O-N 3.37Å; T684-D687 PolarHBondContact O-N 3.37Å; L685-D687 VanDerWaalsContact C-N 3.33Å; L685-D687 PolarHBondContact O-N 3.29Å
688Y86.1Confident86.6Confident102 Ų10228.2 Ų28.240%0.414%0.143SC..Hα-helixtrans-86.8-37.3178.8-82.2-77.3000113.8P568 V604 T684 L685 I686P568-Y688 HydrophobicContact CG-CD1 3.16Å; P568-Y688 HydrophobicContact CG-CE1 3.54Å; P568-Y688 HydrophobicContact CG-CG 3.79Å; V604-Y688 HydrophobicContact CG1-CE2 3.8Å; T684-Y688 HydrophobicContact CG2-CD2 3.72Å; T684-Y688 HydrophobicContact CG2-CE2 3.73Å; T684-Y688 WeakPolarHBondContact O-CD2 3.29Å; T684-Y688 PolarHBondContact O-N 2.92Å; T684-Y688 VanDerWaalsContact O-N 3.09Å; L685-Y688 PolarHBondContact O-N 3.06Å; I686-Y688 VanDerWaalsContact C-N 3.35Å; I686-Y688 PolarHBondContact O-N 2.99Å
689F87.9Confident86.1Confident8 Ų829 Ų294%0.03515%0.148CC..Hα-helixtrans-120.45.1-168-68.4-78.3000114.1P568 I570 I613 A617 T621 I623 L685 P691 Q692 L693P568-F689 HydrophobicContact CB-CE2 4.03Å; P568-F689 HydrophobicContact CB-CZ 3.82Å; P568-F689 HydrophobicContact CG-CE2 4.45Å; P568-F689 HydrophobicContact CG-CZ 4.47Å; I570-F689 HydrophobicContact CD1-CE1 4.48Å; I570-F689 HydrophobicContact CG1-CE1 4.02Å; I570-F689 HydrophobicContact CG1-CZ 4.03Å; I613-F689 HydrophobicContact CG2-CD2 3.9Å; I613-F689 HydrophobicContact CG2-CE2 3.68Å; A617-F689 HydrophobicContact CB-CD1 4.22Å; A617-F689 HydrophobicContact CB-CD2 3.78Å; A617-F689 HydrophobicContact CB-CE1 4.11Å; A617-F689 HydrophobicContact CB-CE2 3.68Å; A617-F689 HydrophobicContact CB-CG 4.03Å; A617-F689 HydrophobicContact CB-CZ 3.82Å; T621-F689 HydrophobicContact CG2-CB 3.81Å; T621-F689 HydrophobicContact CG2-CD1 4.07Å; T621-F689 HydrophobicContact CG2-CG 4.12Å; I623-F689 HydrophobicContact CD1-CD1 3.67Å; I623-F689 HydrophobicContact CD1-CE1 3.65Å; L685-F689 HydrophobicContact CD1-CB 4.36Å; L685-F689 HydrophobicContact CD1-CD2 4.01Å; L685-F689 WeakPolarHBondContact O-CB 3.35Å; L685-F689 PolarHBondContact O-N 2.91Å; F689-P691 VanDerWaalsContact C-N 3.34Å; F689-P691 VanDerWaalsContact O-N 3.17Å; F689-Q692 VanDerWaalsContact C-OE1 3.27Å; F689-Q692 VanDerWaalsContact CA-OE1 3.27Å; F689-Q692 CarbonylContact O-C 3.48Å; F689-Q692 WeakPolarHBondContact O-CA 3.5Å; F689-Q692 PolarHBondContact O-N 3.45Å; F689-Q692 PolarHBondContact O-OE1 3.22Å; F689-Q692 VanDerWaalsContact O-OE1 3.09Å; F689-L693 PolarHBondContact O-N 3.35Å
690G86.7Confident85.6Confident0 Ų029 Ų290%015%0.148CC..G310 helixtrans-45.4-49-174.900000114.8I686 Q692 L693I686-G690 WeakPolarHBondContact O-CA 3.25Å; I686-G690 PolarHBondContact O-N 3.24Å; G690-Q692 PolarHBondContact O-N 3.06Å; G690-L693 PolarHBondContact O-N 3.4Å
691P84.3Confident85.5Confident80 Ų8025.1 Ų25.152%0.51913%0.133SC..G310 helixtrans-67.3-17.2178.6-22.634.6000115.3F689F689-P691 VanDerWaalsContact C-N 3.34Å; F689-P691 VanDerWaalsContact O-N 3.17Å
692Q86.5Confident85.3Confident68 Ų6825.6 Ų25.632%0.31814%0.136SC..G310 helixtrans-104.6-3.5179-57.684.81400112.6T621 D622 I623 F689 G690T621-Q692 WeakPolarHBondContact CA-O 3.25Å; T621-Q692 WeakPolarHBondContact CB-O 3.41Å; T621-Q692 HydrophobicContact CG2-CB 4.27Å; D622-Q692 PolarHBondContact N-O 3.13Å; D622-Q692 VanDerWaalsContact N-O 3.12Å; I623-Q692 HydrophobicContact CD1-CB 4.15Å; I623-Q692 HydrophobicContact CD1-CG 4.18Å; I623-Q692 HydrophobicContact CG1-CB 3.86Å; I623-Q692 HydrophobicContact CG1-CG 3.93Å; F689-Q692 VanDerWaalsContact C-OE1 3.27Å; F689-Q692 VanDerWaalsContact CA-OE1 3.27Å; F689-Q692 CarbonylContact O-C 3.48Å; F689-Q692 WeakPolarHBondContact O-CA 3.5Å; F689-Q692 PolarHBondContact O-N 3.45Å; F689-Q692 PolarHBondContact O-OE1 3.22Å; F689-Q692 VanDerWaalsContact O-OE1 3.09Å; G690-Q692 PolarHBondContact O-N 3.06Å
693L88.2Confident84.5Confident3 Ų326.2 Ų26.22%0.01614%0.14CC..BIsolated β-bridgetrans-66.5137176.5-75176.5000110F620 T621 L685 I686 F689 G690 C698 L733F620-L693 HydrophobicContact CB-CD2 3.86Å; F620-L693 WeakPolarHBondContact O-CA 3.28Å; T621-L693 HydrophobicContact CG2-CD2 4.16Å; L685-L693 HydrophobicContact CD2-CD2 4.27Å; L685-L693 HydrophobicContact CG-CD2 4.31Å; I686-L693 HydrophobicContact CB-CD1 4.43Å; I686-L693 HydrophobicContact CG1-CD1 3.85Å; F689-L693 PolarHBondContact O-N 3.35Å; G690-L693 PolarHBondContact O-N 3.4Å; L693-C698 WeakPolarHBondContact CB-SG 3.47Å; L693-L733 HydrophobicContact CD1-CD2 4.37Å
694I84.5Confident83.8Confident11 Ų1124.9 Ų24.96%0.05613%0.134CC..  trans-64.8134179.3-63169000108.9F620 D622 T628 I633 S696 V697 C698F620-I694 WeakPolarHBondContact O-CG1 3.21Å; F620-I694 PolarHBondContact O-N 2.96Å; D622-I694 HydrophobicContact CB-CG1 4.44Å; T628-I694 HydrophobicContact CG2-CD1 3.88Å; T628-I694 HydrophobicContact CG2-CG1 4.43Å; I633-I694 HydrophobicContact CD1-CD1 3.32Å; I633-I694 HydrophobicContact CG1-CD1 4Å; I694-S696 VanDerWaalsContact C-N 3.29Å; I694-S696 WeakPolarHBondContact CG2-OG 3.33Å; I694-S696 PolarHBondContact O-N 2.95Å; I694-V697 HydrophobicContact CB-CG2 3.9Å; I694-V697 HydrophobicContact CG2-CG2 4.49Å; I694-V697 WeakPolarHBondContact O-CB 3.14Å; I694-V697 PolarHBondContact O-N 2.91Å; I694-C698 PolarHBondContact O-N 3.07Å
695P80.3Confident83.6Confident52 Ų5224.5 Ų24.534%0.33813%0.132SC..Hα-helixtrans-54.8-39-173.9-28.433.2000114.9C698 N699 M740P695-C698 PolarHBondContact O-N 2.79Å; P695-N699 PolarHBondContact O-N 3.09Å; P695-M740 HydrophobicContact CB-SD 4.32Å; P695-M740 HydrophobicContact CG-SD 3.85Å
696S74.1Confident83.1Confident29 Ų2925.5 Ų25.520%0.20314%0.139CC..Hα-helixtrans-64.7-38.6178.254.50000112.3S340 I694 N699 C700S340-S696 WeakPolarHBondContact O-CB 3.44Å; I694-S696 VanDerWaalsContact C-N 3.29Å; I694-S696 WeakPolarHBondContact CG2-OG 3.33Å; I694-S696 PolarHBondContact O-N 2.95Å; S696-N699 PolarHBondContact O-N 2.91Å; S696-C700 WeakPolarHBondContact O-CB 3.23Å; S696-C700 PolarHBondContact O-N 3.34Å; S696-C700 PolarHBondContact O-SG 3.26Å
697V83.7Confident82.2Confident1 Ų126.1 Ų26.11%0.00614%0.142CC..Hα-helixtrans-58.7-49.8173.5178.90000110.1F620 I633 I637 I694 N699 C700 L701F620-V697 HydrophobicContact CB-CG1 4.14Å; F620-V697 HydrophobicContact CB-CG2 4.13Å; F620-V697 HydrophobicContact CD1-CG1 4.03Å; F620-V697 HydrophobicContact CD1-CG2 3.71Å; F620-V697 HydrophobicContact CG-CG1 4.01Å; F620-V697 HydrophobicContact CG-CG2 4.21Å; I633-V697 HydrophobicContact CG2-CG2 3.57Å; I637-V697 HydrophobicContact CD1-CB 4.03Å; I637-V697 HydrophobicContact CD1-CG1 4.42Å; I637-V697 HydrophobicContact CD1-CG2 3.61Å; I637-V697 HydrophobicContact CG1-CB 4.3Å; I637-V697 HydrophobicContact CG1-CG1 4.14Å; I637-V697 HydrophobicContact CG1-CG2 3.96Å; I694-V697 HydrophobicContact CB-CG2 3.9Å; I694-V697 HydrophobicContact CG2-CG2 4.49Å; I694-V697 WeakPolarHBondContact O-CB 3.14Å; I694-V697 PolarHBondContact O-N 2.91Å; V697-N699 VanDerWaalsContact C-N 3.34Å; V697-N699 PolarHBondContact O-N 3.19Å; V697-C700 PolarHBondContact O-N 2.92Å; V697-L701 HydrophobicContact CG1-CD1 3.93Å; V697-L701 WeakPolarHBondContact O-CB 3.27Å; V697-L701 WeakPolarHBondContact O-CG 3.4Å; V697-L701 PolarHBondContact O-N 3.17Å; V697-L701 VanDerWaalsContact O-N 3.08Å
698C84.7Confident81.5Confident0 Ų022.6 Ų22.60%012%0.122CC..Hα-helixtrans-60.3-45.2-179.4-70.70000111.7L693 I694 P695 T702 L733 M737 M740L693-C698 WeakPolarHBondContact CB-SG 3.47Å; I694-C698 PolarHBondContact O-N 3.07Å; P695-C698 PolarHBondContact O-N 2.79Å; C698-T702 WeakPolarHBondContact O-CB 3.24Å; C698-T702 PolarHBondContact O-N 2.83Å; C698-T702 PolarHBondContact O-OG1 3.4Å; C698-L733 HydrophobicContact CB-CD2 4.17Å; C698-M737 HydrophobicContact CB-CG 3.89Å; C698-M737 HydrophobicContact CB-SD 4.3Å; C698-M740 HydrophobicContact CB-CE 4.16Å
699N79.4Confident80.9Confident25 Ų2522.4 Ų22.413%0.13412%0.121CC..Hα-helixtrans-67.2-47-179-165.318000111.9S340 P695 S696 V697 L701 T702 V703 M737S340-N699 WeakPolarHBondContact CA-ND2 3.17Å; S340-N699 WeakPolarHBondContact CB-ND2 3.17Å; P695-N699 PolarHBondContact O-N 3.09Å; S696-N699 PolarHBondContact O-N 2.91Å; V697-N699 VanDerWaalsContact C-N 3.34Å; V697-N699 PolarHBondContact O-N 3.19Å; N699-L701 PolarHBondContact O-N 3.04Å; N699-T702 PolarHBondContact O-N 2.83Å; N699-T702 VanDerWaalsContact O-N 3.16Å; N699-V703 WeakPolarHBondContact O-CB 3.46Å; N699-V703 WeakPolarHBondContact O-CG2 3.29Å; N699-V703 PolarHBondContact O-N 3.32Å; N699-M737 HydrophobicContact CB-CE 3.82Å; N699-M737 HydrophobicContact CB-SD 4Å; N699-M737 WeakPolarHBondContact OD1-CE 3.5Å
700C77.2Confident80.2Confident2 Ų226.7 Ų26.71%0.01414%0.14CC..Hα-helixtrans-55.8-47.5177.1-68.20000112.5L308 S340 I637 S696 V697 L704L308-C700 WeakPolarHBondContact CD2-SG 3.29Å; S340-C700 PolarHBondContact OG-SG 3.2Å; S340-C700 VanDerWaalsContact OG-SG 3.34Å; I637-C700 HydrophobicContact CG2-CB 3.74Å; S696-C700 WeakPolarHBondContact O-CB 3.23Å; S696-C700 PolarHBondContact O-N 3.34Å; S696-C700 PolarHBondContact O-SG 3.26Å; V697-C700 PolarHBondContact O-N 2.92Å; C700-L704 WeakPolarHBondContact O-CB 3.37Å; C700-L704 WeakPolarHBondContact O-CG 3.29Å; C700-L704 PolarHBondContact O-N 2.8Å; C700-L704 VanDerWaalsContact O-N 3.14Å
701L85.8Confident79.3Confident2 Ų231.6 Ų31.61%0.0116%0.161CC..Hα-helixtrans-63.5-43.7178.1-74.5173000111.7L640 L641 L644 T682 V697 N699 L705 L733L640-L701 HydrophobicContact CD2-CD2 4.12Å; L641-L701 HydrophobicContact CD2-CD2 3.96Å; L641-L701 HydrophobicContact CG-CD2 4.39Å; L644-L701 HydrophobicContact CD1-CD2 4.02Å; T682-L701 HydrophobicContact CG2-CD1 4.38Å; V697-L701 HydrophobicContact CG1-CD1 3.93Å; V697-L701 WeakPolarHBondContact O-CB 3.27Å; V697-L701 WeakPolarHBondContact O-CG 3.4Å; V697-L701 PolarHBondContact O-N 3.17Å; V697-L701 VanDerWaalsContact O-N 3.08Å; N699-L701 PolarHBondContact O-N 3.04Å; L701-L705 WeakPolarHBondContact O-CB 3.35Å; L701-L705 WeakPolarHBondContact O-CD1 3.4Å; L701-L705 WeakPolarHBondContact O-CG 3.17Å; L701-L705 PolarHBondContact O-N 3.44Å; L701-L705 VanDerWaalsContact O-N 3.11Å; L701-L733 HydrophobicContact CB-CD1 3.5Å; L701-L733 HydrophobicContact CD1-CD1 4.37Å
702T84Confident78.5Confident11 Ų1130.8 Ų30.87%0.06715%0.15CC..Hα-helixtrans-61.2-49.5-179-57.30000110.9C698 N699 S706 I730 L733 E734C698-T702 WeakPolarHBondContact O-CB 3.24Å; C698-T702 PolarHBondContact O-N 2.83Å; C698-T702 PolarHBondContact O-OG1 3.4Å; N699-T702 PolarHBondContact O-N 2.83Å; N699-T702 VanDerWaalsContact O-N 3.16Å; T702-S706 WeakPolarHBondContact O-CB 3.01Å; T702-S706 PolarHBondContact O-N 2.93Å; T702-S706 VanDerWaalsContact O-N 3.11Å; T702-S706 PolarHBondContact O-OG 3.11Å; T702-I730 HydrophobicContact CG2-CG2 4.34Å; T702-L733 WeakPolarHBondContact OG1-CB 3.34Å; T702-E734 HydrophobicContact CG2-CG 3.74Å
703V74.5Confident77.5Confident12 Ų1233 Ų337%0.07316%0.163CC..Hα-helixtrans-61.9-55.8-177.4167.50000110.9Q336 N699 L705 S706 E707Q336-V703 HydrophobicContact CB-CG1 3.79Å; Q336-V703 HydrophobicContact CB-CG2 3.96Å; N699-V703 WeakPolarHBondContact O-CB 3.46Å; N699-V703 WeakPolarHBondContact O-CG2 3.29Å; N699-V703 PolarHBondContact O-N 3.32Å; V703-L705 PolarHBondContact O-N 2.79Å; V703-S706 WeakPolarHBondContact O-CB 3.49Å; V703-S706 PolarHBondContact O-N 3.3Å; V703-S706 VanDerWaalsContact O-N 3.16Å; V703-E707 PolarHBondContact O-N 3.39Å
704L77.1Confident75.9Confident5 Ų540.3 Ų40.33%0.02620%0.197CC..Hα-helixtrans-75.9-31.3-168.7-64.9172.8000112.7I304 L641 A646 I647 C700 S706 Q708I304-L704 HydrophobicContact CD1-CD2 3.47Å; I304-L704 VanDerWaalsContact CD1-CD2 3.47Å; I304-L704 HydrophobicContact CG1-CD2 4.28Å; I304-L704 HydrophobicContact CG2-CD1 3.87Å; I304-L704 HydrophobicContact CG2-CD2 4.44Å; L641-L704 HydrophobicContact CD1-CD1 3.37Å; L641-L704 HydrophobicContact CD2-CB 3.76Å; L641-L704 HydrophobicContact CD2-CD1 3.99Å; L641-L704 HydrophobicContact CG-CD1 4.25Å; A646-L704 HydrophobicContact CB-CB 4.12Å; I647-L704 HydrophobicContact CD1-CD1 4.18Å; I647-L704 HydrophobicContact CG1-CD1 4.46Å; C700-L704 WeakPolarHBondContact O-CB 3.37Å; C700-L704 WeakPolarHBondContact O-CG 3.29Å; C700-L704 PolarHBondContact O-N 2.8Å; C700-L704 VanDerWaalsContact O-N 3.14Å; L704-S706 VanDerWaalsContact C-N 3.34Å; L704-Q708 WeakPolarHBondContact O-CB 3.35Å; L704-Q708 PolarHBondContact O-N 3.35Å; L704-Q708 VanDerWaalsContact O-N 3.08Å
705L82.3Confident74.5Confident0 Ų043 Ų430%022%0.216CC..Hα-helixtrans-69.3-33.5170.3-66.1174.4000111.9L644 A646 L701 V703 R709 R726 I729 I730L644-L705 HydrophobicContact CB-CD2 4.15Å; L644-L705 HydrophobicContact CD1-CD2 4.2Å; A646-L705 HydrophobicContact CB-CD2 4.25Å; L701-L705 WeakPolarHBondContact O-CB 3.35Å; L701-L705 WeakPolarHBondContact O-CD1 3.4Å; L701-L705 WeakPolarHBondContact O-CG 3.17Å; L701-L705 PolarHBondContact O-N 3.44Å; L701-L705 VanDerWaalsContact O-N 3.11Å; V703-L705 PolarHBondContact O-N 2.79Å; L705-R709 WeakPolarHBondContact O-CB 3.4Å; L705-R709 PolarHBondContact O-N 3.32Å; L705-R726 HydrophobicContact CB-CG 4.09Å; L705-R726 HydrophobicContact CD2-CG 4.22Å; L705-I729 HydrophobicContact CD1-CG2 3.66Å; L705-I730 HydrophobicContact CB-CD1 4.09Å; L705-I730 HydrophobicContact CB-CG1 3.98Å
706S80Confident72.8Confident24 Ų2448.1 Ų48.117%0.16824%0.241CC..Hα-helixtrans-67.5-40.2175.7-650000112.2T702 V703 L704 R709 K710T702-S706 WeakPolarHBondContact O-CB 3.01Å; T702-S706 PolarHBondContact O-N 2.93Å; T702-S706 VanDerWaalsContact O-N 3.11Å; T702-S706 PolarHBondContact O-OG 3.11Å; V703-S706 WeakPolarHBondContact O-CB 3.49Å; V703-S706 PolarHBondContact O-N 3.3Å; V703-S706 VanDerWaalsContact O-N 3.16Å; L704-S706 VanDerWaalsContact C-N 3.34Å; S706-R709 WeakPolarHBondContact O-CB 3.48Å; S706-R709 PolarHBondContact O-N 3.18Å; S706-K710 WeakPolarHBondContact O-CG 3.42Å; S706-K710 PolarHBondContact O-N 3.4Å; S706-K710 VanDerWaalsContact O-N 3.08Å
707E72.6Confident71.5Confident17 Ų1749.6 Ų49.68%0.07925%0.251CS..Hα-helixtrans-67.1-43.3175.5-74.2-6113200112.3S333 V703 R709 K710 K711S333-E707 WeakPolarHBondContact OG-CG 3.27Å; V703-E707 PolarHBondContact O-N 3.39Å; E707-R709 VanDerWaalsContact C-N 3.3Å; E707-R709 PolarHBondContact O-N 3.14Å; E707-K710 WeakPolarHBondContact O-CB 3.46Å; E707-K710 PolarHBondContact O-N 2.91Å; E707-K710 VanDerWaalsContact O-N 3.16Å; E707-K710 IonicContact OE1-NZ 3.07Å; E707-K710 PolarHBondContact OE1-NZ 3.14Å; E707-K711 PolarHBondContact O-N 3.01Å; E707-K711 VanDerWaalsContact O-N 3.09Å
708Q72.2Confident69.4Low23 Ų2355 Ų5511%0.10729%0.289CS..Hα-helixtrans-57.6-43.7172.7-169.3-169.513.400111.5L644 G645 L704 K710 K711 E712 R726L644-Q708 PolarHBondContact O-NE2 2.92Å; L644-Q708 PolarHBondContact O-OE1 3.15Å; G645-Q708 VanDerWaalsContact O-CD 3.27Å; G645-Q708 PolarHBondContact O-NE2 2.99Å; L704-Q708 WeakPolarHBondContact O-CB 3.35Å; L704-Q708 PolarHBondContact O-N 3.35Å; L704-Q708 VanDerWaalsContact O-N 3.08Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 2.87Å; Q708-K711 PolarHBondContact O-N 3.41Å; Q708-E712 PolarHBondContact O-N 3.36Å; Q708-E712 VanDerWaalsContact O-N 3.08Å; Q708-R726 VanDerWaalsContact CD-NH2 3.29Å
709R73.8Confident67.4Low97 Ų9759.5 Ų59.537%0.36631%0.313SS..Hα-helixtrans-57.8-43.7175.4-177.1-163.5-173.7-160.56.8111.8L705 S706 E707 E712 I713 D727L705-R709 WeakPolarHBondContact O-CB 3.4Å; L705-R709 PolarHBondContact O-N 3.32Å; S706-R709 WeakPolarHBondContact O-CB 3.48Å; S706-R709 PolarHBondContact O-N 3.18Å; E707-R709 VanDerWaalsContact C-N 3.3Å; E707-R709 PolarHBondContact O-N 3.14Å; R709-E712 PolarHBondContact O-N 3.2Å; R709-I713 HydrophobicContact CG-CD1 4.26Å; R709-I713 WeakPolarHBondContact O-CG1 3.38Å; R709-I713 PolarHBondContact O-N 2.95Å; R709-D727 WeakPolarHBondContact CD-OD1 3.5Å; R709-D727 IonicContact CZ-OD1 3.88Å; R709-D727 VanDerWaalsContact CZ-OD1 3.29Å; R709-D727 IonicContact CZ-OD2 3.88Å; R709-D727 IonicContact NE-OD1 3.45Å; R709-D727 PolarHBondContact NE-OD1 3.25Å; R709-D727 IonicContact NE-OD2 3.11Å; R709-D727 PolarHBondContact NE-OD2 3.02Å; R709-D727 VanDerWaalsContact NH2-CG 3.33Å; R709-D727 IonicContact NH2-OD1 3.57Å; R709-D727 IonicContact NH2-OD2 2.88Å; R709-D727 PolarHBondContact NH2-OD2 3.13Å
710K72.2Confident65.9Low99 Ų9963.6 Ų63.643%0.4333%0.333SS..Hα-helixtrans-60.8-45176.9-70.3172.7-170.6168.90111.3S706 E707 Q708 E712 I713 H714S706-K710 WeakPolarHBondContact O-CG 3.42Å; S706-K710 PolarHBondContact O-N 3.4Å; S706-K710 VanDerWaalsContact O-N 3.08Å; E707-K710 WeakPolarHBondContact O-CB 3.46Å; E707-K710 PolarHBondContact O-N 2.91Å; E707-K710 VanDerWaalsContact O-N 3.16Å; E707-K710 IonicContact OE1-NZ 3.07Å; E707-K710 PolarHBondContact OE1-NZ 3.14Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 2.87Å; K710-E712 VanDerWaalsContact C-N 3.34Å; K710-E712 PolarHBondContact O-N 3.24Å; K710-I713 PolarHBondContact O-N 3.29Å; K710-H714 PolarHBondContact O-N 3.41Å; K710-H714 PolarHBondContact O-ND1 2.86Å
711K67.2Low64.5Low103 Ų10371.6 Ų71.645%0.44837%0.37SS..Hα-helixtrans-60-41.4177.5-69.4-178.9-179.9-178.80112.1E707 Q708 H714 S715E707-K711 PolarHBondContact O-N 3.01Å; E707-K711 VanDerWaalsContact O-N 3.09Å; Q708-K711 PolarHBondContact O-N 3.41Å; K711-H714 PolarHBondContact O-N 2.94Å; K711-S715 PolarHBondContact O-N 2.92Å
712E68Low63Low63 Ų6372.5 Ų72.529%0.29438%0.38SS..Hα-helixtrans-64.6-43178.3-73.5178.6-174.800112.9Q708 R709 K710 H714 S715 R726Q708-E712 PolarHBondContact O-N 3.36Å; Q708-E712 VanDerWaalsContact O-N 3.08Å; R709-E712 PolarHBondContact O-N 3.2Å; K710-E712 VanDerWaalsContact C-N 3.34Å; K710-E712 PolarHBondContact O-N 3.24Å; E712-H714 VanDerWaalsContact C-N 3.27Å; E712-H714 PolarHBondContact O-N 3.45Å; E712-S715 PolarHBondContact O-N 3.03Å; E712-S715 VanDerWaalsContact O-N 3.17Å; E712-S715 PolarHBondContact O-OG 3.49Å; E712-R726 IonicContact OE1-CZ 3.63Å; E712-R726 VanDerWaalsContact OE1-CZ 3.28Å; E712-R726 IonicContact OE1-NH1 3.28Å; E712-R726 PolarHBondContact OE1-NH1 3.4Å; E712-R726 IonicContact OE1-NH2 2.59Å; E712-R726 PolarHBondContact OE1-NH2 2.97Å; E712-R726 IonicContact OE2-CZ 3.36Å; E712-R726 IonicContact OE2-NH1 3.7Å; E712-R726 PolarHBondContact OE2-NH1 2.67Å; E712-R726 IonicContact OE2-NH2 2.83Å
713I65.5Low61.9Low113 Ų11373.7 Ų73.758%0.57939%0.387SS*.Hα-helixtrans-58.8-39.3177.9-67166.1000111.3R709 K710 S715R709-I713 HydrophobicContact CG-CD1 4.26Å; R709-I713 WeakPolarHBondContact O-CG1 3.38Å; R709-I713 PolarHBondContact O-N 2.95Å; K710-I713 PolarHBondContact O-N 3.29Å; I713-S715 VanDerWaalsContact C-N 3.33Å; I713-S715 PolarHBondContact O-N 2.85Å
714H56Low61.9Low158 Ų15879.3 Ų79.373%0.73141%0.412SS*.Hα-helixtrans-73.9-23.8-178.5-71.667.8000113.1K710 K711 E712 N716K710-H714 PolarHBondContact O-N 3.41Å; K710-H714 PolarHBondContact O-ND1 2.86Å; K711-H714 PolarHBondContact O-N 2.94Å; E712-H714 VanDerWaalsContact C-N 3.27Å; E712-H714 PolarHBondContact O-N 3.45Å; H714-N716 PolarHBondContact O-N 3.25Å
715S54.9Low62Low67 Ų6781.3 Ų81.347%0.46942%0.423SS..THydrogen-bonded Turntrans-71-8-176.472.80000114.7K711 E712 I713 S717K711-S715 PolarHBondContact O-N 2.92Å; E712-S715 PolarHBondContact O-N 3.03Å; E712-S715 VanDerWaalsContact O-N 3.17Å; E712-S715 PolarHBondContact O-OG 3.49Å; I713-S715 VanDerWaalsContact C-N 3.33Å; I713-S715 PolarHBondContact O-N 2.85Å; S715-S717 PolarHBondContact O-N 3.27Å; S715-S717 PolarHBondContact OG-OG 2.82Å
716N44.8Very low62.1Low160 Ų16081.8 Ų81.886%0.85642%0.424SS*.  trans47.813.3-172.8-96.4-18.5000114.5H714 S718H714-N716 PolarHBondContact O-N 3.25Å; N716-S718 PolarHBondContact O-N 3.46Å
717S45.6Very low62.3Low60 Ų6082.1 Ų82.142%0.4242%0.424SS..  trans-75.7120.7178.581.60000107.1S715 L719S715-S717 PolarHBondContact O-N 3.27Å; S715-S717 PolarHBondContact OG-OG 2.82Å; S717-L719 PolarHBondContact O-N 3.22Å
718S40.1Very low62.9Low113 Ų11385.1 Ų85.179%0.7944%0.441SS*.  trans-66.630.2179.248.60000113.7N716 I720N716-S718 PolarHBondContact O-N 3.46Å; S718-I720 VanDerWaalsContact C-N 3.31Å; S718-I720 PolarHBondContact O-N 3.25Å; S718-I720 VanDerWaalsContact O-N 3.07Å
719L43.3Very low63.7Low96 Ų9684 Ų8450%0.50344%0.436SS..  trans-8863.8-175-87.2150.6000111.3K672 S717 H721K672-L719 HydrophobicContact CD-CD2 4.1Å; K672-L719 VanDerWaalsContact NZ-CD1 3.34Å; S717-L719 PolarHBondContact O-N 3.22Å; L719-H721 VanDerWaalsContact C-N 3.27Å; L719-H721 PolarHBondContact O-N 3.17Å; L719-H721 VanDerWaalsContact O-N 3.08Å
720I46.3Very low64.2Low111 Ų11179.6 Ų79.657%0.56942%0.419SS*.  trans-83.445.1-174.1-53.7163.4000112.4S718S718-I720 VanDerWaalsContact C-N 3.31Å; S718-I720 PolarHBondContact O-N 3.25Å; S718-I720 VanDerWaalsContact O-N 3.07Å
721H49.3Very low64.9Low170 Ų17078.3 Ų78.379%0.78742%0.417SS*.SBendtrans-130.690.3177.2-88.810.5000111.8Q676 L719Q676-H721 PolarHBondContact NE2-O 3.41Å; L719-H721 VanDerWaalsContact C-N 3.27Å; L719-H721 PolarHBondContact O-N 3.17Å; L719-H721 VanDerWaalsContact O-N 3.08Å
722G52.7Low65.9Low20 Ų2074.4 Ų74.421%0.20640%0.403CS..SBendtrans137.2-2317800000113.6H724 L725 R726G722-H724 VanDerWaalsContact C-N 3.32Å; G722-H724 PolarHBondContact O-N 3.46Å; G722-L725 PolarHBondContact O-N 3.18Å; G722-L725 VanDerWaalsContact O-N 3.09Å; G722-R726 PolarHBondContact O-N 3.35Å; G722-R726 VanDerWaalsContact O-N 3.14Å
723T62.7Low66.8Low36 Ų3671.4 Ų71.422%0.22139%0.389CS..Hα-helixtrans-53.3-44.6-179.9510000112.8L725 R726 D727T723-L725 PolarHBondContact O-N 3.44Å; T723-R726 PolarHBondContact O-N 2.86Å; T723-D727 VanDerWaalsContact O-CG 3.28Å; T723-D727 PolarHBondContact O-N 2.66Å
724H73.5Confident67.7Low131 Ų13170.1 Ų70.161%0.60638%0.381SS*.Hα-helixtrans-60.2-42.4177.6-70.2-64000113.3G722 R726 D727 D728G722-H724 VanDerWaalsContact C-N 3.32Å; G722-H724 PolarHBondContact O-N 3.46Å; H724-R726 VanDerWaalsContact C-N 3.32Å; H724-R726 PolarHBondContact O-N 2.93Å; H724-D727 PolarHBondContact O-N 3.37Å; H724-D728 WeakPolarHBondContact O-CB 3.26Å; H724-D728 PolarHBondContact O-N 3.31Å
725L80.1Confident69.1Low47 Ų4769.3 Ų69.325%0.24638%0.375CS..Hα-helixtrans-70.4-34-179.1-172.362000111.3L679 R680 K683 G722 T723 D728 I729L679-L725 HydrophobicContact CB-CD2 3.68Å; L679-L725 HydrophobicContact CB-CG 4.11Å; R680-L725 HydrophobicContact CB-CD2 4.01Å; K683-L725 HydrophobicContact CB-CD1 4.06Å; K683-L725 HydrophobicContact CG-CD1 4.01Å; G722-L725 PolarHBondContact O-N 3.18Å; G722-L725 VanDerWaalsContact O-N 3.09Å; T723-L725 PolarHBondContact O-N 3.44Å; L725-D728 PolarHBondContact O-N 2.94Å; L725-I729 WeakPolarHBondContact O-CD1 3.36Å; L725-I729 VanDerWaalsContact O-CG1 3.24Å; L725-I729 WeakPolarHBondContact O-CG1 3.47Å; L725-I729 PolarHBondContact O-N 3.08Å
726R83.6Confident70.4Confident9 Ų968.1 Ų68.13%0.03436%0.362CS..Hα-helixtrans-66.4-44.8173.1-165.7-173.3-67.7120.1-10.7111L679 L705 Q708 E712 G722 T723 H724 D728 I729 I730L679-R726 HydrophobicContact CD2-CB 4.29Å; L679-R726 HydrophobicContact CD2-CG 4.29Å; L705-R726 HydrophobicContact CB-CG 4.09Å; L705-R726 HydrophobicContact CD2-CG 4.22Å; Q708-R726 VanDerWaalsContact CD-NH2 3.29Å; E712-R726 IonicContact OE1-CZ 3.63Å; E712-R726 VanDerWaalsContact OE1-CZ 3.28Å; E712-R726 IonicContact OE1-NH1 3.28Å; E712-R726 PolarHBondContact OE1-NH1 3.4Å; E712-R726 IonicContact OE1-NH2 2.59Å; E712-R726 PolarHBondContact OE1-NH2 2.97Å; E712-R726 IonicContact OE2-CZ 3.36Å; E712-R726 IonicContact OE2-NH1 3.7Å; E712-R726 PolarHBondContact OE2-NH1 2.67Å; E712-R726 IonicContact OE2-NH2 2.83Å; G722-R726 PolarHBondContact O-N 3.35Å; G722-R726 VanDerWaalsContact O-N 3.14Å; T723-R726 PolarHBondContact O-N 2.86Å; H724-R726 VanDerWaalsContact C-N 3.32Å; H724-R726 PolarHBondContact O-N 2.93Å; R726-D728 VanDerWaalsContact C-N 3.3Å; R726-D728 PolarHBondContact O-N 2.88Å; R726-I729 WeakPolarHBondContact O-CB 3.37Å; R726-I729 PolarHBondContact O-N 3.07Å; R726-I729 VanDerWaalsContact O-N 3.12Å; R726-I730 HydrophobicContact CG-CD1 4.17Å; R726-I730 WeakPolarHBondContact O-CG1 3.42Å; R726-I730 PolarHBondContact O-N 3.25Å
727D83.5Confident72Confident31 Ų3162.3 Ų62.317%0.16633%0.33CS..Hα-helixtrans-59.1-43.8175.2-70.31.8000110.6R709 T723 H724 I729 I730 D731R709-D727 WeakPolarHBondContact CD-OD1 3.5Å; R709-D727 IonicContact CZ-OD1 3.88Å; R709-D727 VanDerWaalsContact CZ-OD1 3.29Å; R709-D727 IonicContact CZ-OD2 3.88Å; R709-D727 IonicContact NE-OD1 3.45Å; R709-D727 PolarHBondContact NE-OD1 3.25Å; R709-D727 IonicContact NE-OD2 3.11Å; R709-D727 PolarHBondContact NE-OD2 3.02Å; R709-D727 VanDerWaalsContact NH2-CG 3.33Å; R709-D727 IonicContact NH2-OD1 3.57Å; R709-D727 IonicContact NH2-OD2 2.88Å; R709-D727 PolarHBondContact NH2-OD2 3.13Å; T723-D727 VanDerWaalsContact O-CG 3.28Å; T723-D727 PolarHBondContact O-N 2.66Å; H724-D727 PolarHBondContact O-N 3.37Å; D727-I729 VanDerWaalsContact C-N 3.29Å; D727-I729 PolarHBondContact O-N 3.2Å; D727-I730 PolarHBondContact O-N 2.85Å; D727-D731 WeakPolarHBondContact O-CB 3.44Å; D727-D731 PolarHBondContact O-N 3Å
728D85.5Confident73.5Confident81 Ų8164.1 Ų64.143%0.43334%0.335SS..Hα-helixtrans-61.8-35.4175.7-70.3-22.7000112.8K683 H724 L725 R726 S732K683-D728 HydrophobicContact CD-CB 4.44Å; H724-D728 WeakPolarHBondContact O-CB 3.26Å; H724-D728 PolarHBondContact O-N 3.31Å; L725-D728 PolarHBondContact O-N 2.94Å; R726-D728 VanDerWaalsContact C-N 3.3Å; R726-D728 PolarHBondContact O-N 2.88Å; D728-S732 VanDerWaalsContact O-CB 3.24Å; D728-S732 WeakPolarHBondContact O-CB 3.4Å; D728-S732 PolarHBondContact O-N 3.02Å; D728-S732 PolarHBondContact O-OG 2.97Å
729I88.3Confident75.2Confident0 Ų060.8 Ų60.80%031%0.312CS..Hα-helixtrans-66.6-51174.9-72.7164.1000110L679 T682 K683 I686 L705 L725 R726 D727 D731 S732 L733L679-I729 HydrophobicContact CB-CD1 4.08Å; L679-I729 HydrophobicContact CD2-CD1 3.66Å; L679-I729 VanDerWaalsContact O-CD1 3.32Å; L679-I729 WeakPolarHBondContact O-CD1 3.41Å; T682-I729 HydrophobicContact CG2-CD1 4.39Å; T682-I729 HydrophobicContact CG2-CG2 4.43Å; K683-I729 HydrophobicContact CB-CD1 4.19Å; K683-I729 HydrophobicContact CB-CG1 3.75Å; K683-I729 HydrophobicContact CD-CG1 3.85Å; K683-I729 HydrophobicContact CG-CG1 4.32Å; I686-I729 HydrophobicContact CD1-CB 4.45Å; I686-I729 HydrophobicContact CD1-CG1 4.46Å; I686-I729 HydrophobicContact CD1-CG2 3.69Å; L705-I729 HydrophobicContact CD1-CG2 3.66Å; L725-I729 WeakPolarHBondContact O-CD1 3.36Å; L725-I729 VanDerWaalsContact O-CG1 3.24Å; L725-I729 WeakPolarHBondContact O-CG1 3.47Å; L725-I729 PolarHBondContact O-N 3.08Å; R726-I729 WeakPolarHBondContact O-CB 3.37Å; R726-I729 PolarHBondContact O-N 3.07Å; R726-I729 VanDerWaalsContact O-N 3.12Å; D727-I729 VanDerWaalsContact C-N 3.29Å; D727-I729 PolarHBondContact O-N 3.2Å; I729-D731 PolarHBondContact O-N 3.47Å; I729-S732 PolarHBondContact O-N 3.09Å; I729-S732 VanDerWaalsContact O-N 3.15Å; I729-L733 HydrophobicContact CG2-CD1 3.72Å; I729-L733 HydrophobicContact CG2-CG 4.31Å; I729-L733 VanDerWaalsContact O-CG 3.31Å; I729-L733 WeakPolarHBondContact O-CG 3.45Å; I729-L733 PolarHBondContact O-N 3.14Å
730I85.9Confident76.5Confident4 Ų457.6 Ų57.62%0.02130%0.295CS..Hα-helixtrans-57.1-52.3179.4-66.9163.1000109.5T702 L705 R726 D727 S732 L733 E734T702-I730 HydrophobicContact CG2-CG2 4.34Å; L705-I730 HydrophobicContact CB-CD1 4.09Å; L705-I730 HydrophobicContact CB-CG1 3.98Å; R726-I730 HydrophobicContact CG-CD1 4.17Å; R726-I730 WeakPolarHBondContact O-CG1 3.42Å; R726-I730 PolarHBondContact O-N 3.25Å; D727-I730 PolarHBondContact O-N 2.85Å; I730-S732 VanDerWaalsContact C-N 3.25Å; I730-S732 PolarHBondContact O-N 3.49Å; I730-L733 PolarHBondContact O-N 2.92Å; I730-L733 VanDerWaalsContact O-N 3.13Å; I730-E734 HydrophobicContact CG2-CG 4.35Å; I730-E734 WeakPolarHBondContact O-CG 3.06Å; I730-E734 PolarHBondContact O-N 2.88Å
731D86.7Confident77.2Confident72 Ų7256.8 Ų56.839%0.38529%0.291SS..Hα-helixtrans-58.1-37.6178-77.85000112.5D727 I729 K735D727-D731 WeakPolarHBondContact O-CB 3.44Å; D727-D731 PolarHBondContact O-N 3Å; I729-D731 PolarHBondContact O-N 3.47Å; D731-K735 WeakPolarHBondContact O-CB 3.49Å; D731-K735 WeakPolarHBondContact O-CD 3.38Å; D731-K735 WeakPolarHBondContact O-CG 3.48Å; D731-K735 PolarHBondContact O-N 3.33Å; D731-K735 VanDerWaalsContact O-N 3.17Å
732S88.3Confident77.1Confident21 Ų2155.9 Ų55.915%0.14729%0.292CS..Hα-helixtrans-69.6-43.9178.3-61.90000111.1K683 D728 I729 I730 K735 Q736K683-S732 WeakPolarHBondContact CE-OG 3.26Å; D728-S732 VanDerWaalsContact O-CB 3.24Å; D728-S732 WeakPolarHBondContact O-CB 3.4Å; D728-S732 PolarHBondContact O-N 3.02Å; D728-S732 PolarHBondContact O-OG 2.97Å; I729-S732 PolarHBondContact O-N 3.09Å; I729-S732 VanDerWaalsContact O-N 3.15Å; I730-S732 VanDerWaalsContact C-N 3.25Å; I730-S732 PolarHBondContact O-N 3.49Å; S732-K735 PolarHBondContact O-N 2.76Å; S732-Q736 WeakPolarHBondContact O-CG 3.47Å; S732-Q736 PolarHBondContact O-N 2.92Å
733L87.2Confident76.7Confident0 Ų063 Ų630%032%0.317CS..Hα-helixtrans-67.1-42.8178.7-69.1170.4000112I686 L693 C698 L701 T702 I729 I730 K735 Q736 M737I686-L733 HydrophobicContact CD1-CD1 4.12Å; I686-L733 HydrophobicContact CD1-CD2 3.63Å; I686-L733 HydrophobicContact CD1-CG 3.72Å; I686-L733 HydrophobicContact CG1-CD2 3.8Å; I686-L733 HydrophobicContact CG1-CG 4.41Å; I686-L733 HydrophobicContact CG2-CD2 4.35Å; L693-L733 HydrophobicContact CD1-CD2 4.37Å; C698-L733 HydrophobicContact CB-CD2 4.17Å; L701-L733 HydrophobicContact CB-CD1 3.5Å; L701-L733 HydrophobicContact CD1-CD1 4.37Å; T702-L733 WeakPolarHBondContact OG1-CB 3.34Å; I729-L733 HydrophobicContact CG2-CD1 3.72Å; I729-L733 HydrophobicContact CG2-CG 4.31Å; I729-L733 VanDerWaalsContact O-CG 3.31Å; I729-L733 WeakPolarHBondContact O-CG 3.45Å; I729-L733 PolarHBondContact O-N 3.14Å; I730-L733 PolarHBondContact O-N 2.92Å; I730-L733 VanDerWaalsContact O-N 3.13Å; L733-K735 VanDerWaalsContact C-N 3.32Å; L733-K735 PolarHBondContact O-N 3.35Å; L733-Q736 WeakPolarHBondContact O-CB 3.5Å; L733-Q736 PolarHBondContact O-N 3.5Å; L733-Q736 VanDerWaalsContact O-N 3.08Å; L733-M737 WeakPolarHBondContact O-CG 3.42Å; L733-M737 PolarHBondContact O-N 3.45Å
734E84Confident75.6Confident86 Ų8672.6 Ų72.640%0.40235%0.349SS..Hα-helixtrans-59.4-42.5174.9-74-177.7176.300111.5T702 I730 Q736 M737 N738T702-E734 HydrophobicContact CG2-CG 3.74Å; I730-E734 HydrophobicContact CG2-CG 4.35Å; I730-E734 WeakPolarHBondContact O-CG 3.06Å; I730-E734 PolarHBondContact O-N 2.88Å; E734-Q736 VanDerWaalsContact C-N 3.34Å; E734-Q736 PolarHBondContact O-N 3.21Å; E734-M737 PolarHBondContact O-N 2.96Å; E734-N738 WeakPolarHBondContact O-CB 3.17Å; E734-N738 VanDerWaalsContact O-CG 3.27Å; E734-N738 PolarHBondContact O-N 3.45Å; E734-N738 PolarHBondContact O-ND2 3.24Å; E734-N738 VanDerWaalsContact O-ND2 3.08Å
735K85.5Confident75.7Confident141 Ų14169.7 Ų69.761%0.61334%0.336SS*.Hα-helixtrans-60.9-42.1173.3-75.4167.7-170.7160.80111.8D731 S732 L733 S739D731-K735 WeakPolarHBondContact O-CB 3.49Å; D731-K735 WeakPolarHBondContact O-CD 3.38Å; D731-K735 WeakPolarHBondContact O-CG 3.48Å; D731-K735 PolarHBondContact O-N 3.33Å; D731-K735 VanDerWaalsContact O-N 3.17Å; S732-K735 PolarHBondContact O-N 2.76Å; L733-K735 VanDerWaalsContact C-N 3.32Å; L733-K735 PolarHBondContact O-N 3.35Å; K735-S739 WeakPolarHBondContact O-CB 3.33Å; K735-S739 PolarHBondContact O-N 3.48Å
736Q81.4Confident75.5Confident42 Ų4270.9 Ų70.920%0.19634%0.341CS..Hα-helixtrans-64.4-47.2176.7-67.1-56.5-30.700111.3S732 L733 E734 N738 S739 M740S732-Q736 WeakPolarHBondContact O-CG 3.47Å; S732-Q736 PolarHBondContact O-N 2.92Å; L733-Q736 WeakPolarHBondContact O-CB 3.5Å; L733-Q736 PolarHBondContact O-N 3.5Å; L733-Q736 VanDerWaalsContact O-N 3.08Å; E734-Q736 VanDerWaalsContact C-N 3.34Å; E734-Q736 PolarHBondContact O-N 3.21Å; Q736-N738 PolarHBondContact O-N 3.09Å; Q736-S739 WeakPolarHBondContact O-CB 3.4Å; Q736-S739 PolarHBondContact O-N 3.34Å; Q736-S739 VanDerWaalsContact O-N 3.13Å; Q736-S739 PolarHBondContact O-OG 2.77Å; Q736-M740 HydrophobicContact CB-CE 4.11Å; Q736-M740 WeakPolarHBondContact O-CG 3.28Å; Q736-M740 PolarHBondContact O-N 3.34Å
737M77.5Confident75Confident38 Ų3874.3 Ų74.319%0.18736%0.358CS..Hα-helixtrans-60.4-45.1177.9-75.1179.66000112.4C698 N699 L733 E734 S739 M740 N741C698-M737 HydrophobicContact CB-CG 3.89Å; C698-M737 HydrophobicContact CB-SD 4.3Å; N699-M737 HydrophobicContact CB-CE 3.82Å; N699-M737 HydrophobicContact CB-SD 4Å; N699-M737 WeakPolarHBondContact OD1-CE 3.5Å; L733-M737 WeakPolarHBondContact O-CG 3.42Å; L733-M737 PolarHBondContact O-N 3.45Å; E734-M737 PolarHBondContact O-N 2.96Å; M737-S739 VanDerWaalsContact C-N 3.28Å; M737-S739 PolarHBondContact O-N 3.1Å; M737-M740 HydrophobicContact CG-CE 4.39Å; M737-M740 PolarHBondContact O-N 3.48Å; M737-M740 VanDerWaalsContact O-N 3.1Å; M737-N741 WeakPolarHBondContact O-CB 3.33Å; M737-N741 PolarHBondContact O-N 2.96Å
738N78Confident74.5Confident97 Ų9776.9 Ų76.952%0.51937%0.369SS..Hα-helixtrans-59.5-40.6174.5-75.1-36.5000111.6E734 Q736 M740 L742E734-N738 WeakPolarHBondContact O-CB 3.17Å; E734-N738 VanDerWaalsContact O-CG 3.27Å; E734-N738 PolarHBondContact O-N 3.45Å; E734-N738 PolarHBondContact O-ND2 3.24Å; E734-N738 VanDerWaalsContact O-ND2 3.08Å; Q736-N738 PolarHBondContact O-N 3.09Å; N738-M740 VanDerWaalsContact C-N 3.33Å; N738-M740 PolarHBondContact O-N 2.74Å; N738-L742 WeakPolarHBondContact O-CB 3.22Å; N738-L742 WeakPolarHBondContact O-CD1 3.29Å; N738-L742 WeakPolarHBondContact O-CG 3.39Å; N738-L742 PolarHBondContact O-N 2.93Å
739S76.3Confident73.9Confident43 Ų4376.6 Ų76.630%0.30137%0.365SS..Hα-helixtrans-66.6-33.1175.789.20000113.3K735 Q736 M737 K743K735-S739 WeakPolarHBondContact O-CB 3.33Å; K735-S739 PolarHBondContact O-N 3.48Å; Q736-S739 WeakPolarHBondContact O-CB 3.4Å; Q736-S739 PolarHBondContact O-N 3.34Å; Q736-S739 VanDerWaalsContact O-N 3.13Å; Q736-S739 PolarHBondContact O-OG 2.77Å; M737-S739 VanDerWaalsContact C-N 3.28Å; M737-S739 PolarHBondContact O-N 3.1Å; S739-K743 WeakPolarHBondContact O-CG 3.32Å
740M70Confident72.9Confident30 Ų3081.7 Ų81.715%0.14839%0.39CS..Hα-helixtrans-74.6-41.4177.4-74.1-171.2-90.800111.5P695 C698 Q736 M737 N738 L742 K743 R744P695-M740 HydrophobicContact CB-SD 4.32Å; P695-M740 HydrophobicContact CG-SD 3.85Å; C698-M740 HydrophobicContact CB-CE 4.16Å; Q736-M740 HydrophobicContact CB-CE 4.11Å; Q736-M740 WeakPolarHBondContact O-CG 3.28Å; Q736-M740 PolarHBondContact O-N 3.34Å; M737-M740 HydrophobicContact CG-CE 4.39Å; M737-M740 PolarHBondContact O-N 3.48Å; M737-M740 VanDerWaalsContact O-N 3.1Å; N738-M740 VanDerWaalsContact C-N 3.33Å; N738-M740 PolarHBondContact O-N 2.74Å; M740-L742 VanDerWaalsContact C-N 3.34Å; M740-L742 PolarHBondContact O-N 2.87Å; M740-K743 WeakPolarHBondContact O-CB 3.25Å; M740-K743 PolarHBondContact O-N 2.74Å; M740-K743 VanDerWaalsContact O-N 3.12Å; M740-R744 PolarHBondContact O-N 3.22Å; M740-R744 VanDerWaalsContact O-N 3.16Å
741N60.5Low72Confident94 Ų9487.3 Ų87.350%0.50342%0.416SS..Hα-helixtrans-66.9-32.7175.7-76.2-15.3000112.5M737 K743M737-N741 WeakPolarHBondContact O-CB 3.33Å; M737-N741 PolarHBondContact O-N 2.96Å; N741-K743 PolarHBondContact O-N 3.12Å
742L48.9Very low70.8Confident151 Ų15188.5 Ų88.579%0.79142%0.418SS*.THydrogen-bonded Turntrans-68.3-18.7172-84.8156.6000113.6N738 M740N738-L742 WeakPolarHBondContact O-CB 3.22Å; N738-L742 WeakPolarHBondContact O-CD1 3.29Å; N738-L742 WeakPolarHBondContact O-CG 3.39Å; N738-L742 PolarHBondContact O-N 2.93Å; M740-L742 VanDerWaalsContact C-N 3.34Å; M740-L742 PolarHBondContact O-N 2.87Å
743K44Very low69.4Low168 Ų16894.1 Ų94.173%0.7344%0.441SS*.THydrogen-bonded Turntrans-93.4-24.9178.1-76.6177.1179.7174.10113.4S739 M740 N741S739-K743 WeakPolarHBondContact O-CG 3.32Å; M740-K743 WeakPolarHBondContact O-CB 3.25Å; M740-K743 PolarHBondContact O-N 2.74Å; M740-K743 VanDerWaalsContact O-N 3.12Å; N741-K743 PolarHBondContact O-N 3.12Å
744R39.3Very low67.8Low239 Ų239102.6 Ų102.690%0.90248%0.481SS*.  trans-78.70169.6-77.1-176175.2178.4-2.2109.3M740M740-R744 PolarHBondContact O-N 3.22Å; M740-R744 VanDerWaalsContact O-N 3.16Å

Retrieved 744 of 744 residues in 219.4 ms (Link to these results)

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