A0A077ZG68_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZG68, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M53.4Low74.9Confident217 Ų217136.3 Ų136.3100%1.06967%0.67SS**  0133.40-94.5179.8-166.600107.8S5M1-S5 WeakPolarHBondContact CB-OG 3.38Å
2T64.1Low75.8Confident104 Ų104145.4 Ų145.464%0.63869%0.692SS**  trans-76.6155.4178.850.80000109.8A4 S5T2-A4 PolarHBondContact O-N 3.14Å; T2-S5 PolarHBondContact O-N 3.3Å; T2-S5 PolarHBondContact O-OG 2.86Å
3S78.5Confident76.7Confident93 Ų93138.7 Ų138.765%0.6568%0.684SS**THydrogen-bonded Turntrans-56.1-20.3177.964.30000113.8
4A75.3Confident77.4Confident50 Ų50135.7 Ų135.741%0.41367%0.672SS.*THydrogen-bonded Turntrans-69.1-39173.900000112.8T2 E6 K7 F8T2-A4 PolarHBondContact O-N 3.14Å; A4-E6 PolarHBondContact O-N 3.46Å; A4-K7 PolarHBondContact O-N 2.94Å; A4-K7 VanDerWaalsContact O-N 3.14Å; A4-F8 WeakPolarHBondContact O-CD2 3.34Å
5S71.9Confident78.2Confident47 Ų47137.1 Ų137.133%0.32968%0.681SS.*THydrogen-bonded Turntrans-67.9-24.9-177.459.10000112.9M1 T2 K7M1-S5 WeakPolarHBondContact CB-OG 3.38Å; T2-S5 PolarHBondContact O-N 3.3Å; T2-S5 PolarHBondContact O-OG 2.86Å; S5-K7 VanDerWaalsContact C-N 3.28Å; S5-K7 PolarHBondContact O-N 2.97Å
6E79.6Confident78.6Confident140 Ų140134.2 Ų134.265%0.65466%0.663SS**THydrogen-bonded Turntrans-71.2-24.2175.9-64.2-176.8164.900113A4A4-E6 PolarHBondContact O-N 3.46Å
7K80.9Confident78.9Confident169 Ų169132.7 Ų132.774%0.73566%0.663SS**THydrogen-bonded Turntrans-78.7-28180-65-176.3178.8-1780112.9A4 S5A4-K7 PolarHBondContact O-N 2.94Å; A4-K7 VanDerWaalsContact O-N 3.14Å; S5-K7 VanDerWaalsContact C-N 3.28Å; S5-K7 PolarHBondContact O-N 2.97Å
8F78.7Confident79.1Confident130 Ų130129.6 Ų129.657%0.5767%0.67SS**  trans-108.685.5-178.3-61.2-78.7000109.9A4 F11A4-F8 WeakPolarHBondContact O-CD2 3.34Å; F8-F11 HydrophobicContact CB-CE1 4.45Å; F8-F11 HydrophobicContact CB-CE2 4.29Å; F8-F11 HydrophobicContact CB-CZ 3.94Å
9R78.1Confident79.2Confident231 Ų231132 Ų13287%0.87267%0.67SS**SBendtrans-78.5-28.2179-65.5-171176.8-159.3-1.5113.3
10E82.6Confident79.2Confident162 Ų162133.3 Ų133.376%0.75767%0.673SS**  trans-137.6129.5-177.8-66179.7-178.600109.9
11F80.7Confident79.6Confident156 Ų156130.3 Ų130.368%0.68465%0.654SS**  trans-99.4120.9170.4-71-88000108.8F8F8-F11 HydrophobicContact CB-CE1 4.45Å; F8-F11 HydrophobicContact CB-CE2 4.29Å; F8-F11 HydrophobicContact CB-CZ 3.94Å
12R85.7Confident81.2Confident246 Ų246128.7 Ų128.793%0.92864%0.637SS**  trans-86.1-21.3178.9-66.6-167.4-179-166.81.2113.9
13G87Confident82.4Confident58 Ų58127.7 Ų127.760%0.59863%0.628SS**  trans175.2169.9-176.700000111.5
14L87.8Confident82.9Confident97 Ų97131.7 Ų131.751%0.50864%0.636SS.*  trans-128.4133.2178.3-62.7169.8000108F16 I46L14-F16 HydrophobicContact CB-CE2 3.98Å; L14-F16 HydrophobicContact CB-CZ 4.11Å; L14-F16 HydrophobicContact CD1-CZ 4.3Å; L14-I46 HydrophobicContact CD1-CD1 4.18Å; L14-I46 HydrophobicContact CD1-CG2 3.35Å
15I88.3Confident83.7Confident157 Ų157138.9 Ų138.981%0.80566%0.658SS**  trans-108.3119.4174.7-53.9179.4000106.7T17I15-T17 HydrophobicContact CG2-CG2 3.87Å
16F84.3Confident84.6Confident90 Ų90137.8 Ų137.840%0.39565%0.652SS.*  trans-96.4123173.2-59-86000108.3L14 L39 M43 I46L14-F16 HydrophobicContact CB-CE2 3.98Å; L14-F16 HydrophobicContact CB-CZ 4.11Å; L14-F16 HydrophobicContact CD1-CZ 4.3Å; F16-L39 HydrophobicContact CB-CD1 4.12Å; F16-L39 HydrophobicContact CD1-CD1 4.39Å; F16-L39 HydrophobicContact CG-CD1 4.19Å; F16-M43 HydrophobicContact CD2-CE 3.58Å; F16-M43 HydrophobicContact CE2-CE 3.84Å; F16-M43 HydrophobicContact CE2-CG 4.16Å; F16-M43 HydrophobicContact CG-CE 4.35Å; F16-M43 HydrophobicContact CZ-CG 4.3Å; F16-I46 HydrophobicContact CE1-CD1 3.55Å; F16-I46 HydrophobicContact CZ-CD1 3.42Å; F16-I46 VanDerWaalsContact CZ-CD1 3.42Å
17T84.2Confident85.3Confident109 Ų109134.9 Ų134.967%0.66964%0.644SS**  trans-123.1134178.858.80000109.3I15I15-T17 HydrophobicContact CG2-CG2 3.87Å
18G82.4Confident85.8Confident77 Ų77127.2 Ų127.279%0.79461%0.611SS**  trans-113140.3167.400000109.4
19W81.6Confident86.3Confident175 Ų175121.9 Ų121.966%0.66359%0.59SS**  trans-92.6134.8173.3-63.775.3000108.3R21 C29W19-R21 VanDerWaalsContact C-N 3.34Å; W19-C29 WeakPolarHBondContact O-CB 3.25Å
20Q79.8Confident86.8Confident158 Ų158117.1 Ų117.174%0.73858%0.577SS**SBendtrans-76.6-25.416964.6178.2-13.600112.1C29Q20-C29 WeakPolarHBondContact O-CB 3.41Å; Q20-C29 PolarHBondContact O-N 3.47Å
21R86.5Confident87.2Confident70 Ų70110.1 Ų110.126%0.26454%0.544SS..BIsolated β-bridgetrans-151.2148.3177-66.5-170.2-168.7-147.5-2.4110.1W19 L28 C29 E164W19-R21 VanDerWaalsContact C-N 3.34Å; R21-L28 HydrophobicContact CG-CD2 4.15Å; R21-C29 VanDerWaalsContact C-SG 3.56Å; R21-C29 WeakPolarHBondContact CA-SG 3.24Å; R21-E164 IonicContact CZ-OE1 3.29Å; R21-E164 VanDerWaalsContact CZ-OE1 3.29Å; R21-E164 IonicContact CZ-OE2 3.59Å; R21-E164 IonicContact NH1-OE1 3.28Å; R21-E164 PolarHBondContact NH1-OE1 2.76Å; R21-E164 IonicContact NH1-OE2 3.87Å; R21-E164 IonicContact NH2-OE1 3.07Å; R21-E164 PolarHBondContact NH2-OE1 3.36Å; R21-E164 IonicContact NH2-OE2 2.62Å; R21-E164 PolarHBondContact NH2-OE2 3.5Å
22Y86.8Confident87.7Confident184 Ų184108.5 Ų108.572%0.72254%0.542SS*.SBendtrans-78.2-38.6172.3-69.4-68.7000112.4C29Y22-C29 VanDerWaalsContact CD2-SG 3.51Å; Y22-C29 VanDerWaalsContact CE2-SG 3.54Å
23D90.3Very high88.1Confident83 Ų8396.9 Ų96.944%0.44450%0.499SS..SBendtrans-154.2177.8174.272.580.5000110.9F25 A26D23-F25 VanDerWaalsContact C-N 3.28Å; D23-F25 PolarHBondContact O-N 3.27Å; D23-F25 WeakPolarHBondContact OD1-CA 3.44Å; D23-F25 PolarHBondContact OD1-N 2.62Å; D23-A26 PolarHBondContact O-N 3.42Å; D23-A26 PolarHBondContact OD1-N 3.07Å; D23-A26 VanDerWaalsContact OD1-N 3.1Å; D23-A26 WeakPolarHBondContact OD2-CB 3.33Å
24H88.2Confident88.3Confident176 Ų17694.9 Ų94.982%0.81547%0.474SS*.SBendtrans-68-23.7-174.8-70.586.3000114.2
25F91.5Very high88.5Confident201 Ų20190.9 Ų90.988%0.88246%0.456SS*.SBendtrans-105.5-8.9-178-61-72000113.2D23D23-F25 VanDerWaalsContact C-N 3.28Å; D23-F25 PolarHBondContact O-N 3.27Å; D23-F25 WeakPolarHBondContact OD1-CA 3.44Å; D23-F25 PolarHBondContact OD1-N 2.62Å
26A92.5Very high88.8Confident24 Ų2484.8 Ų84.820%0.19843%0.425CS..SBendtrans-75.3156.2173.900000112.4D23D23-A26 PolarHBondContact O-N 3.42Å; D23-A26 PolarHBondContact OD1-N 3.07Å; D23-A26 VanDerWaalsContact OD1-N 3.1Å; D23-A26 WeakPolarHBondContact OD2-CB 3.33Å
27V92.8Very high89.2Confident79 Ų7981.1 Ų81.148%0.47941%0.41SS..PPolyproline II helixtrans-60.2161.5168.7-61.70000111.4C29 T168V27-C29 PolarHBondContact O-N 3.28Å; V27-T168 HydrophobicContact CB-CG2 4.27Å; V27-T168 HydrophobicContact CG1-CG2 3.8Å
28L91.3Very high89.6Confident8 Ų879 Ų794%0.04240%0.4CS..BIsolated β-bridgetrans-56.2136.3172.7-60.4172.4000110.6R21 F31 T161 E164 F165 Y169R21-L28 HydrophobicContact CG-CD2 4.15Å; L28-F31 HydrophobicContact CB-CE1 4.12Å; L28-F31 HydrophobicContact CB-CZ 4.3Å; L28-F31 HydrophobicContact CD1-CE1 3.9Å; L28-F31 HydrophobicContact CD1-CZ 3.62Å; L28-F31 HydrophobicContact CG-CE1 4.43Å; L28-T161 HydrophobicContact CD1-CG2 3.95Å; L28-T161 HydrophobicContact CD2-CG2 4.48Å; L28-E164 HydrophobicContact CD1-CB 4.21Å; L28-E164 HydrophobicContact CD1-CG 4.03Å; L28-E164 HydrophobicContact CG-CG 4.25Å; L28-F165 HydrophobicContact CD1-CB 4.19Å; L28-Y169 PolarHBondContact O-OH 2.98Å
29C90.6Very high90.1Very high19 Ų1978 Ų7813%0.12838%0.376CS..  trans-71.7177166.5-640000110.3W19 Q20 R21 Y22 V27 F31W19-C29 WeakPolarHBondContact O-CB 3.25Å; Q20-C29 WeakPolarHBondContact O-CB 3.41Å; Q20-C29 PolarHBondContact O-N 3.47Å; R21-C29 VanDerWaalsContact C-SG 3.56Å; R21-C29 WeakPolarHBondContact CA-SG 3.24Å; Y22-C29 VanDerWaalsContact CD2-SG 3.51Å; Y22-C29 VanDerWaalsContact CE2-SG 3.54Å; V27-C29 PolarHBondContact O-N 3.28Å; C29-F31 PolarHBondContact O-N 3.1Å
30E87.9Confident90.7Very high130 Ų13070.6 Ų70.661%0.60735%0.35SS*.  trans-58.8133.5173-174.7173.6-110.900111.3I34E30-I34 HydrophobicContact CG-CB 3.91Å; E30-I34 HydrophobicContact CG-CG2 3.9Å
31F90.8Very high91.3Very high15 Ų1564.1 Ų64.17%0.06632%0.322CS..  trans-76.8151.8178.9-58.7-48.2000112.4L28 C29 I34 G35 M153 F157 T161 F165L28-F31 HydrophobicContact CB-CE1 4.12Å; L28-F31 HydrophobicContact CB-CZ 4.3Å; L28-F31 HydrophobicContact CD1-CE1 3.9Å; L28-F31 HydrophobicContact CD1-CZ 3.62Å; L28-F31 HydrophobicContact CG-CE1 4.43Å; C29-F31 PolarHBondContact O-N 3.1Å; F31-I34 HydrophobicContact CB-CD1 3.89Å; F31-I34 HydrophobicContact CB-CG1 4.35Å; F31-I34 HydrophobicContact CD2-CD1 3.76Å; F31-I34 HydrophobicContact CG-CD1 4.25Å; F31-I34 WeakPolarHBondContact O-CA 3.4Å; F31-I34 WeakPolarHBondContact O-CB 3.42Å; F31-I34 PolarHBondContact O-N 3.38Å; F31-G35 PolarHBondContact O-N 2.88Å; F31-M153 HydrophobicContact CD2-CE 3.92Å; F31-M153 HydrophobicContact CE2-CE 3.17Å; F31-M153 HydrophobicContact CE2-SD 4.19Å; F31-M153 HydrophobicContact CZ-CE 3.66Å; F31-F157 HydrophobicContact CB-CE2 4.47Å; F31-F157 HydrophobicContact CB-CZ 3.88Å; F31-F157 HydrophobicContact CD1-CE1 4.25Å; F31-F157 HydrophobicContact CD1-CZ 4.29Å; F31-F157 HydrophobicContact CG-CE1 4.45Å; F31-F157 HydrophobicContact CG-CE2 4.46Å; F31-F157 HydrophobicContact CG-CZ 4.03Å; F31-T161 HydrophobicContact CE1-CG2 4.02Å; F31-T161 HydrophobicContact CZ-CG2 4.12Å; F31-F165 HydrophobicContact CD2-CD2 4.35Å; F31-F165 HydrophobicContact CD2-CE2 4.49Å; F31-F165 HydrophobicContact CE2-CB 4.19Å; F31-F165 AromaticContact CE2-CD2 3.32Å; F31-F165 HydrophobicContact CE2-CD2 3.32Å; F31-F165 AromaticContact CE2-CE2 3.84Å; F31-F165 HydrophobicContact CE2-CE2 3.84Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CZ-CB 4.12Å; F31-F165 AromaticContact CZ-CD2 3.77Å; F31-F165 HydrophobicContact CZ-CD2 3.77Å; F31-F165 HydrophobicContact CZ-CG 4.23Å
32L91.9Very high91.6Very high122 Ų12264.4 Ų64.464%0.63933%0.328SS*.Hα-helixtrans-51.8-49.2-179179.564.4000113.5I34 G35 I36L32-I34 PolarHBondContact O-N 3Å; L32-G35 CarbonylContact O-C 3.53Å; L32-G35 PolarHBondContact O-N 2.89Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.41Å
33P93.1Very high91.9Very high3 Ų359.8 Ų59.82%0.01931%0.314CS..Hα-helixtrans-58.7-32.9178.8-24.835.6000113.5F80 G82 I85 M156 F157P33-F80 VanDerWaalsContact O-CE2 3.25Å; P33-F80 WeakPolarHBondContact O-CE2 3.04Å; P33-G82 WeakPolarHBondContact CB-O 3.3Å; P33-I85 HydrophobicContact CB-CB 4.43Å; P33-I85 HydrophobicContact CG-CD1 4.31Å; P33-M156 HydrophobicContact CG-CE 4.48Å; P33-M156 HydrophobicContact CG-SD 4.28Å; P33-F157 HydrophobicContact CG-CE2 4.32Å; P33-F157 HydrophobicContact CG-CZ 4.25Å
34I92.5Very high92.1Very high16 Ų1656.2 Ų56.28%0.08230%0.295CS..Hα-helixtrans-73.5-37.2179.1-53.5161.8000110.3E30 F31 L32 P37 I85 Y86 V89E30-I34 HydrophobicContact CG-CB 3.91Å; E30-I34 HydrophobicContact CG-CG2 3.9Å; F31-I34 HydrophobicContact CB-CD1 3.89Å; F31-I34 HydrophobicContact CB-CG1 4.35Å; F31-I34 HydrophobicContact CD2-CD1 3.76Å; F31-I34 HydrophobicContact CG-CD1 4.25Å; F31-I34 WeakPolarHBondContact O-CA 3.4Å; F31-I34 WeakPolarHBondContact O-CB 3.42Å; F31-I34 PolarHBondContact O-N 3.38Å; L32-I34 PolarHBondContact O-N 3Å; I34-P37 WeakPolarHBondContact O-CD 3.46Å; I34-I85 HydrophobicContact CG1-CG2 4.41Å; I34-Y86 HydrophobicContact CG2-CD2 4.32Å; I34-V89 HydrophobicContact CD1-CB 4.26Å; I34-V89 HydrophobicContact CD1-CG1 4.01Å; I34-V89 HydrophobicContact CD1-CG2 3.9Å; I34-V89 HydrophobicContact CG1-CB 4.41Å; I34-V89 HydrophobicContact CG1-CG1 4.46Å; I34-V89 HydrophobicContact CG1-CG2 4.32Å; I34-V89 HydrophobicContact CG2-CG1 4.49Å
35G92.1Very high92.4Very high13 Ų1349.4 Ų49.413%0.13427%0.266CS..Hα-helixtrans-80.9-11178.100000115.4F31 L32 S38 L39F31-G35 PolarHBondContact O-N 2.88Å; L32-G35 CarbonylContact O-C 3.53Å; L32-G35 PolarHBondContact O-N 2.89Å; G35-S38 PolarHBondContact O-N 3.32Å; G35-L39 WeakPolarHBondContact O-CB 3.35Å; G35-L39 PolarHBondContact O-N 3.34Å
36I93.5Very high92.5Very high29 Ų2943.8 Ų43.815%0.14924%0.244CC..Hα-helixtrans-55.3-45-179.2-81.5170.9000112.6L32 S38 L39 T40 F80L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.41Å; I36-S38 PolarHBondContact O-N 2.97Å; I36-L39 PolarHBondContact O-N 3.31Å; I36-T40 WeakPolarHBondContact O-CB 3.35Å; I36-T40 PolarHBondContact O-N 3.45Å; I36-T40 PolarHBondContact O-OG1 3.49Å; I36-F80 HydrophobicContact CB-CD2 4.05Å; I36-F80 HydrophobicContact CB-CE2 4.11Å; I36-F80 HydrophobicContact CD1-CD2 3.8Å; I36-F80 HydrophobicContact CD1-CE2 4.37Å; I36-F80 HydrophobicContact CG2-CB 4.17Å; I36-F80 HydrophobicContact CG2-CD1 4.34Å; I36-F80 HydrophobicContact CG2-CD2 3.71Å; I36-F80 HydrophobicContact CG2-CE2 4.13Å; I36-F80 HydrophobicContact CG2-CG 3.82Å
37P93Very high92.3Very high12 Ų1251.5 Ų51.58%0.07827%0.268CS..Hα-helixtrans-58.4-46.5176.1-30.439.3000113.7I34 L39 T40 V41 M63 L75 F80 Y86I34-P37 WeakPolarHBondContact O-CD 3.46Å; P37-L39 PolarHBondContact O-N 3.46Å; P37-T40 PolarHBondContact O-N 2.92Å; P37-V41 WeakPolarHBondContact O-CG2 3.41Å; P37-V41 PolarHBondContact O-N 3.44Å; P37-M63 HydrophobicContact CB-CE 4.49Å; P37-M63 HydrophobicContact CB-SD 3.96Å; P37-M63 HydrophobicContact CG-SD 3.99Å; P37-L75 HydrophobicContact CB-CD1 3.48Å; P37-L75 VanDerWaalsContact CB-CD1 3.48Å; P37-L75 HydrophobicContact CG-CD1 3.71Å; P37-F80 HydrophobicContact CG-CE1 4.09Å; P37-F80 HydrophobicContact CG-CZ 3.92Å; P37-Y86 HydrophobicContact CG-CD2 4.01Å; P37-Y86 HydrophobicContact CG-CE2 3.74Å
38S91.9Very high92.3Very high66 Ų6650.4 Ų50.446%0.46226%0.26SS..Hα-helixtrans-60.3-46.5175.4177.90000111.1G35 I36 T40 V41 N42G35-S38 PolarHBondContact O-N 3.32Å; I36-S38 PolarHBondContact O-N 2.97Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 2.91Å; S38-V41 PolarHBondContact O-N 2.87Å; S38-N42 WeakPolarHBondContact O-CB 3.26Å; S38-N42 VanDerWaalsContact O-CG 3.22Å; S38-N42 PolarHBondContact O-N 2.96Å; S38-N42 PolarHBondContact O-ND2 3.19Å; S38-N42 PolarHBondContact OG-ND2 2.85Å
39L92.9Very high92.2Very high55 Ų5553.3 Ų53.329%0.28829%0.292SS..Hα-helixtrans-59.8-42.9177.3-179.464.6000111.9F16 G35 I36 P37 N42 M43F16-L39 HydrophobicContact CB-CD1 4.12Å; F16-L39 HydrophobicContact CD1-CD1 4.39Å; F16-L39 HydrophobicContact CG-CD1 4.19Å; G35-L39 WeakPolarHBondContact O-CB 3.35Å; G35-L39 PolarHBondContact O-N 3.34Å; I36-L39 PolarHBondContact O-N 3.31Å; P37-L39 PolarHBondContact O-N 3.46Å; L39-N42 PolarHBondContact O-N 3.14Å; L39-M43 HydrophobicContact CD1-CE 4.17Å; L39-M43 HydrophobicContact CD1-CG 4.21Å; L39-M43 HydrophobicContact CD1-SD 4.25Å; L39-M43 HydrophobicContact CG-SD 4.22Å; L39-M43 WeakPolarHBondContact O-CB 3.34Å; L39-M43 WeakPolarHBondContact O-CG 3.46Å; L39-M43 PolarHBondContact O-N 3.48Å
40T94.2Very high92.3Very high20 Ų2060.3 Ų60.312%0.12332%0.315CS..Hα-helixtrans-61.9-49.5179.3-59.30000110.7I36 P37 S38 N42 M43 L44 A59 I62 M63I36-T40 WeakPolarHBondContact O-CB 3.35Å; I36-T40 PolarHBondContact O-N 3.45Å; I36-T40 PolarHBondContact O-OG1 3.49Å; P37-T40 PolarHBondContact O-N 2.92Å; S38-T40 VanDerWaalsContact C-N 3.33Å; S38-T40 PolarHBondContact O-N 2.91Å; T40-N42 PolarHBondContact O-N 3.46Å; T40-M43 PolarHBondContact O-N 3.1Å; T40-L44 HydrophobicContact CG2-CD1 3.97Å; T40-L44 WeakPolarHBondContact O-CB 3.35Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 3.05Å; T40-A59 HydrophobicContact CG2-CB 3.97Å; T40-I62 HydrophobicContact CG2-CG2 4.33Å; T40-M63 HydrophobicContact CG2-CG 4.19Å; T40-M63 HydrophobicContact CG2-SD 4.44Å
41V93.8Very high92.4Very high22 Ų2258 Ų5813%0.13330%0.303CS..Hα-helixtrans-62-43.7177.7172.80000111.3P37 S38 L44 T45 F51 V55 A59 V71P37-V41 WeakPolarHBondContact O-CG2 3.41Å; P37-V41 PolarHBondContact O-N 3.44Å; S38-V41 PolarHBondContact O-N 2.87Å; V41-L44 PolarHBondContact O-N 3.33Å; V41-T45 VanDerWaalsContact O-CB 3.26Å; V41-T45 WeakPolarHBondContact O-CB 3.46Å; V41-T45 PolarHBondContact O-N 2.84Å; V41-T45 PolarHBondContact O-OG1 2.94Å; V41-F51 HydrophobicContact CG1-CD2 3.83Å; V41-F51 HydrophobicContact CG1-CE2 3.65Å; V41-V55 HydrophobicContact CG1-CG1 4.23Å; V41-A59 HydrophobicContact CG2-CB 4.35Å; V41-V71 HydrophobicContact CG2-CB 3.66Å; V41-V71 HydrophobicContact CG2-CG1 3.72Å; V41-V71 HydrophobicContact CG2-CG2 3.91Å
42N92.4Very high92.3Very high75 Ų7559.2 Ų59.240%0.40131%0.311SS..Hα-helixtrans-63.1-46.3179-74.4-38.9000111.7S38 L39 T40 L44 T45 I46S38-N42 WeakPolarHBondContact O-CB 3.26Å; S38-N42 VanDerWaalsContact O-CG 3.22Å; S38-N42 PolarHBondContact O-N 2.96Å; S38-N42 PolarHBondContact O-ND2 3.19Å; S38-N42 PolarHBondContact OG-ND2 2.85Å; L39-N42 PolarHBondContact O-N 3.14Å; T40-N42 PolarHBondContact O-N 3.46Å; N42-L44 PolarHBondContact O-N 2.96Å; N42-T45 PolarHBondContact O-N 2.89Å; N42-I46 WeakPolarHBondContact O-CB 3.48Å; N42-I46 WeakPolarHBondContact O-CD1 3.48Å; N42-I46 VanDerWaalsContact O-CG1 3.25Å; N42-I46 WeakPolarHBondContact O-CG1 3.39Å; N42-I46 PolarHBondContact O-N 3.21Å
43M93.7Very high92.2Very high88 Ų8857 Ų5743%0.43331%0.311SS..Hα-helixtrans-62.8-42.9178-76.5-174.8152.700112.2F16 L39 T40 I46 R47F16-M43 HydrophobicContact CD2-CE 3.58Å; F16-M43 HydrophobicContact CE2-CE 3.84Å; F16-M43 HydrophobicContact CE2-CG 4.16Å; F16-M43 HydrophobicContact CG-CE 4.35Å; F16-M43 HydrophobicContact CZ-CG 4.3Å; L39-M43 HydrophobicContact CD1-CE 4.17Å; L39-M43 HydrophobicContact CD1-CG 4.21Å; L39-M43 HydrophobicContact CD1-SD 4.25Å; L39-M43 HydrophobicContact CG-SD 4.22Å; L39-M43 WeakPolarHBondContact O-CB 3.34Å; L39-M43 WeakPolarHBondContact O-CG 3.46Å; L39-M43 PolarHBondContact O-N 3.48Å; T40-M43 PolarHBondContact O-N 3.1Å; M43-I46 PolarHBondContact O-N 3.11Å; M43-R47 WeakPolarHBondContact O-CB 3.42Å; M43-R47 PolarHBondContact O-N 3.15Å
44L94.7Very high92.1Very high8 Ų859.4 Ų59.44%0.04233%0.327CS..Hα-helixtrans-66.3-40.7176.5-73.1170.4000112.3T40 V41 N42 I46 R47 N48 V55 Q58 A59 I62T40-L44 HydrophobicContact CG2-CD1 3.97Å; T40-L44 WeakPolarHBondContact O-CB 3.35Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 3.05Å; V41-L44 PolarHBondContact O-N 3.33Å; N42-L44 PolarHBondContact O-N 2.96Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-I46 PolarHBondContact O-N 3Å; L44-R47 PolarHBondContact O-N 3.49Å; L44-N48 WeakPolarHBondContact O-CB 3.31Å; L44-N48 VanDerWaalsContact O-CG 3.25Å; L44-N48 PolarHBondContact O-N 2.95Å; L44-V55 HydrophobicContact CB-CB 4.47Å; L44-V55 HydrophobicContact CB-CG1 3.72Å; L44-V55 HydrophobicContact CB-CG2 4.34Å; L44-V55 HydrophobicContact CD1-CG1 4.3Å; L44-Q58 HydrophobicContact CD1-CB 3.86Å; L44-Q58 HydrophobicContact CD2-CB 4.02Å; L44-A59 HydrophobicContact CD1-CB 3.7Å; L44-I62 HydrophobicContact CD1-CD1 4.16Å; L44-I62 HydrophobicContact CD2-CD1 3.89Å; L44-I62 HydrophobicContact CG-CD1 4.4Å
45T94.2Very high92.1Very high32 Ų3258.7 Ų58.720%0.19632%0.323CS..Hα-helixtrans-60.4-43.9176.1-63.30000111.2V41 N42 N48 G49 R50 F51V41-T45 VanDerWaalsContact O-CB 3.26Å; V41-T45 WeakPolarHBondContact O-CB 3.46Å; V41-T45 PolarHBondContact O-N 2.84Å; V41-T45 PolarHBondContact O-OG1 2.94Å; N42-T45 PolarHBondContact O-N 2.89Å; T45-N48 PolarHBondContact O-N 3.19Å; T45-G49 CarbonylContact O-C 3.51Å; T45-G49 WeakPolarHBondContact O-CA 3.38Å; T45-G49 PolarHBondContact O-N 2.97Å; T45-R50 PolarHBondContact O-N 3.05Å; T45-R50 VanDerWaalsContact O-N 3.14Å; T45-F51 HydrophobicContact CG2-CB 4Å
46I92Very high92Very high84 Ų8459.2 Ų59.243%0.43132%0.323SS..Hα-helixtrans-66.4-44.7177.7-73.9166.2000110.8L14 F16 N42 M43 L44 N48 G49L14-I46 HydrophobicContact CD1-CD1 4.18Å; L14-I46 HydrophobicContact CD1-CG2 3.35Å; F16-I46 HydrophobicContact CE1-CD1 3.55Å; F16-I46 HydrophobicContact CZ-CD1 3.42Å; F16-I46 VanDerWaalsContact CZ-CD1 3.42Å; N42-I46 WeakPolarHBondContact O-CB 3.48Å; N42-I46 WeakPolarHBondContact O-CD1 3.48Å; N42-I46 VanDerWaalsContact O-CG1 3.25Å; N42-I46 WeakPolarHBondContact O-CG1 3.39Å; N42-I46 PolarHBondContact O-N 3.21Å; M43-I46 PolarHBondContact O-N 3.11Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-I46 PolarHBondContact O-N 3Å; I46-N48 VanDerWaalsContact C-N 3.31Å; I46-N48 PolarHBondContact O-N 3.24Å; I46-G49 PolarHBondContact O-N 3.42Å
47R90.3Very high92Very high186 Ų18662.8 Ų62.870%0.70234%0.343SS*.Hα-helixtrans-60.8-40.4177.1-177.5-176176.4-159.6-0.9112.2M43 L44M43-R47 WeakPolarHBondContact O-CB 3.42Å; M43-R47 PolarHBondContact O-N 3.15Å; L44-R47 PolarHBondContact O-N 3.49Å
48N91Very high92Very high55 Ų5564.5 Ų64.529%0.29435%0.35SS..Hα-helixtrans-86.7-8.5-178-64.1-4.3000112.8L44 T45 I46 R50 V55 Q58L44-N48 WeakPolarHBondContact O-CB 3.31Å; L44-N48 VanDerWaalsContact O-CG 3.25Å; L44-N48 PolarHBondContact O-N 2.95Å; T45-N48 PolarHBondContact O-N 3.19Å; I46-N48 VanDerWaalsContact C-N 3.31Å; I46-N48 PolarHBondContact O-N 3.24Å; N48-R50 PolarHBondContact O-N 3.28Å; N48-V55 HydrophobicContact CB-CG2 4.41Å; N48-V55 VanDerWaalsContact ND2-CG2 3.35Å; N48-V55 WeakPolarHBondContact ND2-CG2 3.41Å; N48-Q58 PolarHBondContact ND2-NE2 3.33Å
49G89.7Confident92.1Very high70 Ų7061.4 Ų61.472%0.72233%0.328SS*.THydrogen-bonded Turntrans72.7-3.1-175.900000115T45 I46T45-G49 CarbonylContact O-C 3.51Å; T45-G49 WeakPolarHBondContact O-CA 3.38Å; T45-G49 PolarHBondContact O-N 2.97Å; I46-G49 PolarHBondContact O-N 3.42Å
50R92Very high92.1Very high165 Ų16559.9 Ų59.962%0.62332%0.32SS*.SBendtrans-160.6158.6177.665.7-179.3-167.7177.51.9110.8T45 N48 D52T45-R50 PolarHBondContact O-N 3.05Å; T45-R50 VanDerWaalsContact O-N 3.14Å; N48-R50 PolarHBondContact O-N 3.28Å; R50-D52 IonicContact CZ-OD2 2.58Å; R50-D52 IonicContact NE-OD2 3.52Å; R50-D52 PolarHBondContact NE-OD2 2.87Å; R50-D52 IonicContact NH2-OD2 3.23Å; R50-D52 PolarHBondContact NH2-OD2 3.47Å
51F90.7Very high92Very high81 Ų8163.1 Ų63.136%0.35534%0.343SS..  trans-88.1120.7168.6-179.8-87.7000109V41 T45 V55 V71 K72V41-F51 HydrophobicContact CG1-CD2 3.83Å; V41-F51 HydrophobicContact CG1-CE2 3.65Å; T45-F51 HydrophobicContact CG2-CB 4Å; F51-V55 HydrophobicContact CD2-CB 4.21Å; F51-V55 HydrophobicContact CD2-CG1 3.86Å; F51-V55 HydrophobicContact CE2-CB 4.31Å; F51-V55 HydrophobicContact CE2-CG1 3.91Å; F51-V71 HydrophobicContact CE2-CG2 4.15Å; F51-V71 HydrophobicContact CZ-CG2 4.11Å; F51-K72 HydrophobicContact CZ-CG 4.42Å
52D89.1Confident92.1Very high41 Ų4167 Ų6722%0.21936%0.362CS..  trans-142.7179.2175.164.621.6000111.4R50 S54 V55R50-D52 IonicContact CZ-OD2 2.58Å; R50-D52 IonicContact NE-OD2 3.52Å; R50-D52 PolarHBondContact NE-OD2 2.87Å; R50-D52 IonicContact NH2-OD2 3.23Å; R50-D52 PolarHBondContact NH2-OD2 3.47Å; D52-S54 PolarHBondContact O-N 3.2Å; D52-S54 VanDerWaalsContact OD1-CB 3.28Å; D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 3.02Å; D52-S54 VanDerWaalsContact OD1-N 3.11Å; D52-V55 WeakPolarHBondContact O-CB 3.25Å; D52-V55 PolarHBondContact O-N 3.28Å; D52-V55 PolarHBondContact OD1-N 2.79Å
53A88.8Confident92.2Very high77 Ų7763.5 Ų63.564%0.63634%0.343SS*.Hα-helixtrans-58.5-29.7-178.300000113V55 N56 D57A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 2.82Å; A53-N56 WeakPolarHBondContact O-CB 3.4Å; A53-N56 PolarHBondContact O-N 3.37Å; A53-D57 PolarHBondContact O-N 3.4Å
54S91Very high92.2Very high53 Ų5365 Ų6537%0.37135%0.35SS..Hα-helixtrans-65.6-32.4176.6-176.30000112D52 N56 D57 Q58D52-S54 PolarHBondContact O-N 3.2Å; D52-S54 VanDerWaalsContact OD1-CB 3.28Å; D52-S54 WeakPolarHBondContact OD1-CB 3.47Å; D52-S54 PolarHBondContact OD1-N 3.02Å; D52-S54 VanDerWaalsContact OD1-N 3.11Å; S54-N56 VanDerWaalsContact C-N 3.32Å; S54-D57 PolarHBondContact O-N 3.46Å; S54-Q58 VanDerWaalsContact O-CB 3.29Å; S54-Q58 WeakPolarHBondContact O-CB 3.44Å; S54-Q58 WeakPolarHBondContact O-CG 3.21Å; S54-Q58 PolarHBondContact O-N 2.93Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 2.72Å
55V92.8Very high92.1Very high0 Ų065.4 Ų65.40%035%0.353CS..Hα-helixtrans-62-42.2174.6172.30000110.9V41 L44 N48 F51 D52 A53 A59V41-V55 HydrophobicContact CG1-CG1 4.23Å; L44-V55 HydrophobicContact CB-CB 4.47Å; L44-V55 HydrophobicContact CB-CG1 3.72Å; L44-V55 HydrophobicContact CB-CG2 4.34Å; L44-V55 HydrophobicContact CD1-CG1 4.3Å; N48-V55 HydrophobicContact CB-CG2 4.41Å; N48-V55 VanDerWaalsContact ND2-CG2 3.35Å; N48-V55 WeakPolarHBondContact ND2-CG2 3.41Å; F51-V55 HydrophobicContact CD2-CB 4.21Å; F51-V55 HydrophobicContact CD2-CG1 3.86Å; F51-V55 HydrophobicContact CE2-CB 4.31Å; F51-V55 HydrophobicContact CE2-CG1 3.91Å; D52-V55 WeakPolarHBondContact O-CB 3.25Å; D52-V55 PolarHBondContact O-N 3.28Å; D52-V55 PolarHBondContact OD1-N 2.79Å; A53-V55 VanDerWaalsContact C-N 3.27Å; A53-V55 PolarHBondContact O-N 2.82Å; V55-A59 VanDerWaalsContact O-CB 3.23Å; V55-A59 WeakPolarHBondContact O-CB 3.29Å; V55-A59 PolarHBondContact O-N 3.38Å
56N91.3Very high92Very high25 Ų2567.7 Ų67.713%0.13437%0.366CS..Hα-helixtrans-61.3-51.3177.218067.4000111.3A53 S54 Q58 A59 I60 D70 V71A53-N56 WeakPolarHBondContact O-CB 3.4Å; A53-N56 PolarHBondContact O-N 3.37Å; S54-N56 VanDerWaalsContact C-N 3.32Å; N56-Q58 VanDerWaalsContact C-N 3.33Å; N56-Q58 PolarHBondContact O-N 3.47Å; N56-A59 PolarHBondContact O-N 3.37Å; N56-A59 VanDerWaalsContact O-N 3.16Å; N56-I60 VanDerWaalsContact ND2-CD1 3.29Å; N56-I60 WeakPolarHBondContact ND2-CD1 3.35Å; N56-I60 WeakPolarHBondContact O-CD1 3.32Å; N56-I60 VanDerWaalsContact O-CG1 3.3Å; N56-I60 WeakPolarHBondContact O-CG1 3.38Å; N56-I60 PolarHBondContact O-N 3.01Å; N56-D70 PolarHBondContact OD1-OD1 3.15Å; N56-V71 HydrophobicContact CB-CG2 4.22Å; N56-V71 WeakPolarHBondContact OD1-CG1 3.25Å; N56-V71 WeakPolarHBondContact OD1-CG2 3.47Å; N56-V71 PolarHBondContact OD1-N 2.89Å
57D91.7Very high91.4Very high103 Ų10370.2 Ų70.255%0.55139%0.386SS*.Hα-helixtrans-62.3-41.2-178.9-62.2-21.3000112A53 S54 S61A53-D57 PolarHBondContact O-N 3.4Å; S54-D57 PolarHBondContact O-N 3.46Å; D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 2.92Å
58Q93.5Very high91Very high49 Ų4964.8 Ų64.823%0.22939%0.388CS..Hα-helixtrans-64.1-42.7174.9-74.6-179.369.500111.7L44 N48 S54 N56 S61 I62L44-Q58 HydrophobicContact CD1-CB 3.86Å; L44-Q58 HydrophobicContact CD2-CB 4.02Å; N48-Q58 PolarHBondContact ND2-NE2 3.33Å; S54-Q58 VanDerWaalsContact O-CB 3.29Å; S54-Q58 WeakPolarHBondContact O-CB 3.44Å; S54-Q58 WeakPolarHBondContact O-CG 3.21Å; S54-Q58 PolarHBondContact O-N 2.93Å; S54-Q58 PolarHBondContact O-NE2 2.91Å; S54-Q58 PolarHBondContact OG-NE2 2.72Å; N56-Q58 VanDerWaalsContact C-N 3.33Å; N56-Q58 PolarHBondContact O-N 3.47Å; Q58-S61 PolarHBondContact O-N 2.88Å; Q58-I62 WeakPolarHBondContact O-CB 3.23Å; Q58-I62 WeakPolarHBondContact O-CD1 3.49Å; Q58-I62 VanDerWaalsContact O-CG1 3.25Å; Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 2.58Å
59A93.9Very high90.7Very high0 Ų062.5 Ų62.50%038%0.376CS..Hα-helixtrans-63.4-46.5179.600000111.3T40 V41 L44 V55 N56 S61 I62 M63 V71T40-A59 HydrophobicContact CG2-CB 3.97Å; V41-A59 HydrophobicContact CG2-CB 4.35Å; L44-A59 HydrophobicContact CD1-CB 3.7Å; V55-A59 VanDerWaalsContact O-CB 3.23Å; V55-A59 WeakPolarHBondContact O-CB 3.29Å; V55-A59 PolarHBondContact O-N 3.38Å; N56-A59 PolarHBondContact O-N 3.37Å; N56-A59 VanDerWaalsContact O-N 3.16Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3Å; A59-I62 PolarHBondContact O-N 3.04Å; A59-M63 HydrophobicContact CB-CE 4.06Å; A59-M63 VanDerWaalsContact O-CB 3.29Å; A59-M63 WeakPolarHBondContact O-CB 3.44Å; A59-M63 WeakPolarHBondContact O-CE 3.35Å; A59-M63 WeakPolarHBondContact O-CG 3.37Å; A59-M63 PolarHBondContact O-N 3.15Å; A59-V71 HydrophobicContact CB-CG1 3.66Å
60I93.3Very high90.6Very high23 Ų2362.4 Ų62.412%0.11836%0.359CS..Hα-helixtrans-59.2-43.4176.2-68.1163.6000110.7N56 Q64 C65 S69N56-I60 VanDerWaalsContact ND2-CD1 3.29Å; N56-I60 WeakPolarHBondContact ND2-CD1 3.35Å; N56-I60 WeakPolarHBondContact O-CD1 3.32Å; N56-I60 VanDerWaalsContact O-CG1 3.3Å; N56-I60 WeakPolarHBondContact O-CG1 3.38Å; N56-I60 PolarHBondContact O-N 3.01Å; I60-Q64 WeakPolarHBondContact O-CA 3.34Å; I60-Q64 PolarHBondContact O-N 3.47Å; I60-C65 HydrophobicContact CG2-CB 4.18Å; I60-C65 PolarHBondContact O-N 2.9Å; I60-S69 WeakPolarHBondContact CD1-O 3.39Å
61S93.1Very high90.3Very high89 Ų8956 Ų5662%0.62234%0.338SS*.Hα-helixtrans-64.9-45.6178-178.40000112.5D57 Q58 A59 Q64D57-S61 WeakPolarHBondContact O-CB 3.28Å; D57-S61 PolarHBondContact O-N 2.92Å; Q58-S61 PolarHBondContact O-N 2.88Å; A59-S61 VanDerWaalsContact C-N 3.3Å; A59-S61 PolarHBondContact O-N 3Å; S61-Q64 PolarHBondContact O-N 3Å
62I94.4Very high90Very high102 Ų10259.7 Ų59.752%0.52335%0.354SS..Hα-helixtrans-66.3-44.4179.8-72.5163.8000111.3T40 L44 Q58 A59 Q64T40-I62 HydrophobicContact CG2-CG2 4.33Å; L44-I62 HydrophobicContact CD1-CD1 4.16Å; L44-I62 HydrophobicContact CD2-CD1 3.89Å; L44-I62 HydrophobicContact CG-CD1 4.4Å; Q58-I62 WeakPolarHBondContact O-CB 3.23Å; Q58-I62 WeakPolarHBondContact O-CD1 3.49Å; Q58-I62 VanDerWaalsContact O-CG1 3.25Å; Q58-I62 WeakPolarHBondContact O-CG1 3.44Å; Q58-I62 PolarHBondContact O-N 2.58Å; A59-I62 PolarHBondContact O-N 3.04Å; I62-Q64 PolarHBondContact O-N 3.27Å
63M94.6Very high89.8Confident2 Ų259.7 Ų59.71%0.0136%0.364CS..THydrogen-bonded Turntrans-77.2-5.1178.2-68.5-171.6-63.100113.2P37 T40 A59 C65 V71 L75 R79 F80P37-M63 HydrophobicContact CB-CE 4.49Å; P37-M63 HydrophobicContact CB-SD 3.96Å; P37-M63 HydrophobicContact CG-SD 3.99Å; T40-M63 HydrophobicContact CG2-CG 4.19Å; T40-M63 HydrophobicContact CG2-SD 4.44Å; A59-M63 HydrophobicContact CB-CE 4.06Å; A59-M63 VanDerWaalsContact O-CB 3.29Å; A59-M63 WeakPolarHBondContact O-CB 3.44Å; A59-M63 WeakPolarHBondContact O-CE 3.35Å; A59-M63 WeakPolarHBondContact O-CG 3.37Å; A59-M63 PolarHBondContact O-N 3.15Å; M63-C65 VanDerWaalsContact C-N 3.27Å; M63-C65 WeakPolarHBondContact CB-SG 3.33Å; M63-C65 PolarHBondContact O-N 3.42Å; M63-V71 HydrophobicContact CE-CG1 4.29Å; M63-L75 HydrophobicContact CE-CD1 3.81Å; M63-L75 HydrophobicContact CE-CD2 4.16Å; M63-L75 HydrophobicContact SD-CD1 4.36Å; M63-R79 PolarHBondContact O-N 3.33Å; M63-F80 HydrophobicContact CB-CD1 3.99Å; M63-F80 HydrophobicContact CG-CD1 4.11Å; M63-F80 HydrophobicContact SD-CD1 4.2Å; M63-F80 HydrophobicContact SD-CE1 4.27Å
64Q93.8Very high89.6Confident121 Ų12159.6 Ų59.657%0.56535%0.352SS*.THydrogen-bonded Turntrans53.643.2-179.6-58.2179-21.400112.4I60 S61 I62 R79I60-Q64 WeakPolarHBondContact O-CA 3.34Å; I60-Q64 PolarHBondContact O-N 3.47Å; S61-Q64 PolarHBondContact O-N 3Å; I62-Q64 PolarHBondContact O-N 3.27Å; Q64-R79 HydrophobicContact CB-CB 4.11Å
65C93.5Very high89.5Confident16 Ų1657.7 Ų57.711%0.10834%0.338CS..PPolyproline II helixtrans-81.2162.9177.6-50.60000111.8I60 M63 C78I60-C65 HydrophobicContact CG2-CB 4.18Å; I60-C65 PolarHBondContact O-N 2.9Å; M63-C65 VanDerWaalsContact C-N 3.27Å; M63-C65 WeakPolarHBondContact CB-SG 3.33Å; M63-C65 PolarHBondContact O-N 3.42Å; C65-C78 HydrophobicContact CB-CB 4.05Å; C65-C78 WeakPolarHBondContact CB-SG 3.5Å; C65-C78 WeakPolarHBondContact SG-CB 3.23Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 3.27Å
66V90.8Very high89.2Confident79 Ų7963.9 Ų63.948%0.47936%0.362SS..PPolyproline II helixtrans-67.4143.4177.3177.90000110.2G68 S69 Y76V66-G68 PolarHBondContact O-N 2.86Å; V66-S69 WeakPolarHBondContact O-CB 3.39Å; V66-S69 PolarHBondContact O-N 3.06Å; V66-S69 VanDerWaalsContact O-N 3.14Å; V66-S69 PolarHBondContact O-OG 3.22Å; V66-Y76 PolarHBondContact N-O 3.23Å
67T80.5Confident89.1Confident137 Ų13764.3 Ų64.384%0.8437%0.373SS*.THydrogen-bonded Turntrans-57.2121.6174.750.80000110.5
68G81.2Confident89.2Confident73 Ų7359.6 Ų59.675%0.75335%0.348SS*.THydrogen-bonded Turntrans111.4-8-174.400000114.3V66V66-G68 PolarHBondContact O-N 2.86Å
69S85.3Confident89.2Confident6 Ų666.4 Ų66.44%0.04237%0.371CS..  trans-61.6149.9167.3-57.30000110.8I60 V66 Y76I60-S69 WeakPolarHBondContact CD1-O 3.39Å; V66-S69 WeakPolarHBondContact O-CB 3.39Å; V66-S69 PolarHBondContact O-N 3.06Å; V66-S69 VanDerWaalsContact O-N 3.14Å; V66-S69 PolarHBondContact O-OG 3.22Å; S69-Y76 PolarHBondContact OG-N 3.19Å; S69-Y76 VanDerWaalsContact OG-N 3.12Å; S69-Y76 PolarHBondContact OG-O 3.45Å
70D87.9Confident89.3Confident68 Ų6867.1 Ų67.136%0.36437%0.374SS..  trans-133.5127.7171.8-178.3-5.1000108.2N56 K72 G73 D74N56-D70 PolarHBondContact OD1-OD1 3.15Å; D70-K72 PolarHBondContact O-N 3.13Å; D70-K72 VanDerWaalsContact O-N 3.16Å; D70-K72 WeakPolarHBondContact OD1-CB 3.18Å; D70-K72 PolarHBondContact OD1-N 2.88Å; D70-G73 CarbonylContact O-C 3.46Å; D70-G73 PolarHBondContact O-N 3.34Å; D70-D74 PolarHBondContact N-O 2.96Å
71V85.2Confident89.3Confident30 Ų3070.5 Ų70.518%0.18240%0.398CS..THydrogen-bonded Turntrans-62.2-20.5177.3-60.10000113.4V41 F51 N56 A59 M63 L75V41-V71 HydrophobicContact CG2-CB 3.66Å; V41-V71 HydrophobicContact CG2-CG1 3.72Å; V41-V71 HydrophobicContact CG2-CG2 3.91Å; F51-V71 HydrophobicContact CE2-CG2 4.15Å; F51-V71 HydrophobicContact CZ-CG2 4.11Å; N56-V71 HydrophobicContact CB-CG2 4.22Å; N56-V71 WeakPolarHBondContact OD1-CG1 3.25Å; N56-V71 WeakPolarHBondContact OD1-CG2 3.47Å; N56-V71 PolarHBondContact OD1-N 2.89Å; A59-V71 HydrophobicContact CB-CG1 3.66Å; M63-V71 HydrophobicContact CE-CG1 4.29Å; V71-L75 HydrophobicContact CG1-CD2 4.27Å
72K85.2Confident89.3Confident160 Ų16067 Ų6770%0.69638%0.376SS*.THydrogen-bonded Turntrans-86.9-20.1173.2-67.4-177.7179177.10113.5F51 D70F51-K72 HydrophobicContact CZ-CG 4.42Å; D70-K72 PolarHBondContact O-N 3.13Å; D70-K72 VanDerWaalsContact O-N 3.16Å; D70-K72 WeakPolarHBondContact OD1-CB 3.18Å; D70-K72 PolarHBondContact OD1-N 2.88Å
73G84.6Confident89.4Confident40 Ų4062.7 Ų62.741%0.41236%0.355SS..SBendtrans-112-130.5177.300000109.1D70D70-G73 CarbonylContact O-C 3.46Å; D70-G73 PolarHBondContact O-N 3.34Å
74D84.3Confident89.4Confident75 Ų7566.6 Ų66.640%0.40138%0.376SS..  trans-97.2140.9-176.3-52.1-43.9000111.3D70 Y76D70-D74 PolarHBondContact N-O 2.96Å; D74-Y76 HydrophobicContact CB-CD2 4.25Å; D74-Y76 HydrophobicContact CB-CE1 3.99Å; D74-Y76 HydrophobicContact CB-CE2 3.45Å; D74-Y76 VanDerWaalsContact CB-CE2 3.45Å; D74-Y76 VanDerWaalsContact CB-OH 3.28Å; D74-Y76 WeakPolarHBondContact CB-OH 3.49Å; D74-Y76 PolarHBondContact OD2-OH 2.68Å
75L89.2Confident89.5Confident13 Ų1361 Ų617%0.06835%0.35CS..  trans-102.7115.7175.5-69.5179.7000109.8P37 M63 V71 Y86P37-L75 HydrophobicContact CB-CD1 3.48Å; P37-L75 VanDerWaalsContact CB-CD1 3.48Å; P37-L75 HydrophobicContact CG-CD1 3.71Å; M63-L75 HydrophobicContact CE-CD1 3.81Å; M63-L75 HydrophobicContact CE-CD2 4.16Å; M63-L75 HydrophobicContact SD-CD1 4.36Å; V71-L75 HydrophobicContact CG1-CD2 4.27Å; L75-Y86 HydrophobicContact CB-CE1 3.93Å; L75-Y86 HydrophobicContact CD1-CE1 4.48Å
76Y86.7Confident89.5Confident130 Ų13061.2 Ų61.251%0.5135%0.349SS..  trans-108.5133-174.3-59.8-76.2000111.7V66 S69 D74 C78V66-Y76 PolarHBondContact N-O 3.23Å; S69-Y76 PolarHBondContact OG-N 3.19Å; S69-Y76 VanDerWaalsContact OG-N 3.12Å; S69-Y76 PolarHBondContact OG-O 3.45Å; D74-Y76 HydrophobicContact CB-CD2 4.25Å; D74-Y76 HydrophobicContact CB-CE1 3.99Å; D74-Y76 HydrophobicContact CB-CE2 3.45Å; D74-Y76 VanDerWaalsContact CB-CE2 3.45Å; D74-Y76 VanDerWaalsContact CB-OH 3.28Å; D74-Y76 WeakPolarHBondContact CB-OH 3.49Å; D74-Y76 PolarHBondContact OD2-OH 2.68Å; Y76-C78 PolarHBondContact O-N 2.97Å; Y76-C78 VanDerWaalsContact O-N 3.17Å
77G88.8Confident89.6Confident34 Ų3460.9 Ų60.935%0.35134%0.342SS..SBendtrans58.132169.300000115
78C93.4Very high90.4Very high5 Ų555.8 Ų55.83%0.03431%0.309CS..  trans-66.4155.2173.9-54.20000112.2C65 Y76 F80 S83C65-C78 HydrophobicContact CB-CB 4.05Å; C65-C78 WeakPolarHBondContact CB-SG 3.5Å; C65-C78 WeakPolarHBondContact SG-CB 3.23Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 3.27Å; Y76-C78 PolarHBondContact O-N 2.97Å; Y76-C78 VanDerWaalsContact O-N 3.17Å; C78-F80 HydrophobicContact CB-CD1 3.6Å; C78-F80 HydrophobicContact CB-CE1 3.48Å; C78-F80 VanDerWaalsContact CB-CE1 3.48Å; C78-S83 VanDerWaalsContact O-CB 3.25Å; C78-S83 WeakPolarHBondContact O-CB 3.26Å; C78-S83 PolarHBondContact O-OG 3.42Å
79R94.4Very high91Very high191 Ų19153.3 Ų53.372%0.72128%0.28SS*.  trans-127.525.4-176.3-58.2-177.1175-173-2.4113.9M63 Q64M63-R79 PolarHBondContact O-N 3.33Å; Q64-R79 HydrophobicContact CB-CB 4.11Å
80F94.4Very high91.4Very high15 Ų1556 Ų567%0.06629%0.291CS..SBendtrans-72.2158.2171.460.3-97.8000111.1P33 I36 P37 M63 C78 G82 S83 Y86P33-F80 VanDerWaalsContact O-CE2 3.25Å; P33-F80 WeakPolarHBondContact O-CE2 3.04Å; I36-F80 HydrophobicContact CB-CD2 4.05Å; I36-F80 HydrophobicContact CB-CE2 4.11Å; I36-F80 HydrophobicContact CD1-CD2 3.8Å; I36-F80 HydrophobicContact CD1-CE2 4.37Å; I36-F80 HydrophobicContact CG2-CB 4.17Å; I36-F80 HydrophobicContact CG2-CD1 4.34Å; I36-F80 HydrophobicContact CG2-CD2 3.71Å; I36-F80 HydrophobicContact CG2-CE2 4.13Å; I36-F80 HydrophobicContact CG2-CG 3.82Å; P37-F80 HydrophobicContact CG-CE1 4.09Å; P37-F80 HydrophobicContact CG-CZ 3.92Å; M63-F80 HydrophobicContact CB-CD1 3.99Å; M63-F80 HydrophobicContact CG-CD1 4.11Å; M63-F80 HydrophobicContact SD-CD1 4.2Å; M63-F80 HydrophobicContact SD-CE1 4.27Å; C78-F80 HydrophobicContact CB-CD1 3.6Å; C78-F80 HydrophobicContact CB-CE1 3.48Å; C78-F80 VanDerWaalsContact CB-CE1 3.48Å; F80-G82 PolarHBondContact O-N 3.35Å; F80-G82 VanDerWaalsContact O-N 3.15Å; F80-S83 VanDerWaalsContact CE2-CA 3.49Å; F80-S83 WeakPolarHBondContact O-CB 3.25Å; F80-S83 PolarHBondContact O-N 2.88Å; F80-S83 PolarHBondContact O-OG 2.88Å; F80-S83 VanDerWaalsContact O-OG 3.13Å; F80-Y86 HydrophobicContact CZ-CD1 4.11Å; F80-Y86 HydrophobicContact CZ-CD2 4.44Å; F80-Y86 AromaticContact CZ-CG 3.85Å; F80-Y86 HydrophobicContact CZ-CG 3.85Å
81P94.2Very high91.7Very high95 Ų9556.2 Ų56.262%0.61729%0.292SS*.THydrogen-bonded Turntrans-55.9120.8179.7-26.135.3000112.5
82G94.1Very high92.2Very high16 Ų1655.3 Ų55.317%0.16529%0.286CS..THydrogen-bonded Turntrans77.219.1-175.600000114.6P33 F80 D84 I85 Y86P33-G82 WeakPolarHBondContact CB-O 3.3Å; F80-G82 PolarHBondContact O-N 3.35Å; F80-G82 VanDerWaalsContact O-N 3.15Å; G82-D84 PolarHBondContact O-N 3.26Å; G82-I85 WeakPolarHBondContact O-CB 3.25Å; G82-I85 PolarHBondContact O-N 2.98Å; G82-Y86 PolarHBondContact O-N 3.32Å
83S94.8Very high92.7Very high11 Ų1153.7 Ų53.78%0.07728%0.281CS..Hα-helixtrans-54.6-32.2172.7540000113.3C78 F80 I85 Y86 Q87C78-S83 VanDerWaalsContact O-CB 3.25Å; C78-S83 WeakPolarHBondContact O-CB 3.26Å; C78-S83 PolarHBondContact O-OG 3.42Å; F80-S83 VanDerWaalsContact CE2-CA 3.49Å; F80-S83 WeakPolarHBondContact O-CB 3.25Å; F80-S83 PolarHBondContact O-N 2.88Å; F80-S83 PolarHBondContact O-OG 2.88Å; F80-S83 VanDerWaalsContact O-OG 3.13Å; S83-I85 VanDerWaalsContact C-N 3.33Å; S83-Y86 WeakPolarHBondContact O-CB 3.37Å; S83-Y86 PolarHBondContact O-N 3.16Å; S83-Q87 WeakPolarHBondContact O-CG 3.29Å; S83-Q87 PolarHBondContact O-N 3.39Å
84D94.7Very high93.1Very high83 Ų8356 Ų5644%0.44428%0.281SS..Hα-helixtrans-66.9-38178.3-63.7-10000111G82 Q87 N88 A152G82-D84 PolarHBondContact O-N 3.26Å; D84-Q87 PolarHBondContact O-N 3.33Å; D84-N88 WeakPolarHBondContact O-CB 3.46Å; D84-N88 PolarHBondContact O-N 3.02Å; D84-N88 PolarHBondContact O-ND2 3.19Å; D84-A152 HydrophobicContact CB-CB 4.46Å
85I95.6Very high93.7Very high4 Ų454.5 Ų54.52%0.02127%0.271CS..Hα-helixtrans-63.7-46.7173.7-57.9174000109.4P33 I34 G82 S83 Q87 N88 V89 A152 M153 M156 F157P33-I85 HydrophobicContact CB-CB 4.43Å; P33-I85 HydrophobicContact CG-CD1 4.31Å; I34-I85 HydrophobicContact CG1-CG2 4.41Å; G82-I85 WeakPolarHBondContact O-CB 3.25Å; G82-I85 PolarHBondContact O-N 2.98Å; S83-I85 VanDerWaalsContact C-N 3.33Å; I85-Q87 PolarHBondContact O-N 3.02Å; I85-N88 PolarHBondContact O-N 2.95Å; I85-V89 HydrophobicContact CG2-CG2 4.26Å; I85-V89 WeakPolarHBondContact O-CB 3.35Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.37Å; I85-A152 HydrophobicContact CG1-CB 3.91Å; I85-M153 HydrophobicContact CD1-CG 4.3Å; I85-M153 HydrophobicContact CG1-CG 4.31Å; I85-M153 HydrophobicContact CG2-CG 3.99Å; I85-M156 HydrophobicContact CD1-SD 4.22Å; I85-F157 HydrophobicContact CD1-CD2 4.17Å; I85-F157 HydrophobicContact CD1-CE2 3.79Å
86Y94.5Very high94.1Very high20 Ų2058.6 Ų58.68%0.07829%0.286CS..Hα-helixtrans-55.8-50.2176.7171.7-91.9000111.6I34 P37 L75 F80 G82 S83 N88 V89 Q90I34-Y86 HydrophobicContact CG2-CD2 4.32Å; P37-Y86 HydrophobicContact CG-CD2 4.01Å; P37-Y86 HydrophobicContact CG-CE2 3.74Å; L75-Y86 HydrophobicContact CB-CE1 3.93Å; L75-Y86 HydrophobicContact CD1-CE1 4.48Å; F80-Y86 HydrophobicContact CZ-CD1 4.11Å; F80-Y86 HydrophobicContact CZ-CD2 4.44Å; F80-Y86 AromaticContact CZ-CG 3.85Å; F80-Y86 HydrophobicContact CZ-CG 3.85Å; G82-Y86 PolarHBondContact O-N 3.32Å; S83-Y86 WeakPolarHBondContact O-CB 3.37Å; S83-Y86 PolarHBondContact O-N 3.16Å; Y86-N88 PolarHBondContact O-N 3.21Å; Y86-V89 PolarHBondContact O-N 3.05Å; Y86-Q90 HydrophobicContact CD1-CG 4.19Å; Y86-Q90 HydrophobicContact CD2-CG 4.39Å; Y86-Q90 HydrophobicContact CE1-CG 3.75Å; Y86-Q90 HydrophobicContact CE2-CG 3.99Å; Y86-Q90 VanDerWaalsContact CE2-NE2 3.3Å; Y86-Q90 HydrophobicContact CG-CG 4.5Å; Y86-Q90 WeakPolarHBondContact O-CG 3.48Å; Y86-Q90 PolarHBondContact O-N 2.89Å; Y86-Q90 PolarHBondContact OH-NE2 3.47Å
87Q93.7Very high94.6Very high72 Ų7255.6 Ų55.634%0.33628%0.284SS..Hα-helixtrans-61.9-43.9-179.2-71.1174.829.500112.4S83 D84 I85 V89 Q90 L91S83-Q87 WeakPolarHBondContact O-CG 3.29Å; S83-Q87 PolarHBondContact O-N 3.39Å; D84-Q87 PolarHBondContact O-N 3.33Å; I85-Q87 PolarHBondContact O-N 3.02Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.38Å; Q87-Q90 PolarHBondContact O-N 2.94Å; Q87-L91 WeakPolarHBondContact O-CB 3.5Å; Q87-L91 PolarHBondContact O-N 3.46Å
88N95.4Very high94.9Very high30 Ų3057.4 Ų57.416%0.1628%0.283CS..Hα-helixtrans-65.1-37.1177.9-79.9-80.9000112.1D84 I85 Y86 L91 L92 L145 N148 I149D84-N88 WeakPolarHBondContact O-CB 3.46Å; D84-N88 PolarHBondContact O-N 3.02Å; D84-N88 PolarHBondContact O-ND2 3.19Å; I85-N88 PolarHBondContact O-N 2.95Å; Y86-N88 PolarHBondContact O-N 3.21Å; N88-L91 PolarHBondContact O-N 3.19Å; N88-L92 WeakPolarHBondContact O-CB 3.48Å; N88-L92 PolarHBondContact O-N 3.11Å; N88-L145 HydrophobicContact CB-CD1 4.46Å; N88-N148 WeakPolarHBondContact OD1-CB 3.29Å; N88-I149 HydrophobicContact CB-CG1 3.68Å
89V94.5Very high95.1Very high22 Ų2257.4 Ų57.413%0.13328%0.283CS..Hα-helixtrans-71.8-36.4177.5173.60000111.7I34 I85 Y86 Q87 L92 H93 F165I34-V89 HydrophobicContact CD1-CB 4.26Å; I34-V89 HydrophobicContact CD1-CG1 4.01Å; I34-V89 HydrophobicContact CD1-CG2 3.9Å; I34-V89 HydrophobicContact CG1-CB 4.41Å; I34-V89 HydrophobicContact CG1-CG1 4.46Å; I34-V89 HydrophobicContact CG1-CG2 4.32Å; I34-V89 HydrophobicContact CG2-CG1 4.49Å; I85-V89 HydrophobicContact CG2-CG2 4.26Å; I85-V89 WeakPolarHBondContact O-CB 3.35Å; I85-V89 VanDerWaalsContact O-CG2 3.25Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 3.37Å; Y86-V89 PolarHBondContact O-N 3.05Å; Q87-V89 VanDerWaalsContact C-N 3.32Å; Q87-V89 PolarHBondContact O-N 3.38Å; V89-L92 WeakPolarHBondContact O-CB 3.47Å; V89-L92 PolarHBondContact O-N 3.33Å; V89-H93 PolarHBondContact O-N 3.5Å; V89-F165 HydrophobicContact CG2-CZ 4.03Å
90Q93Very high95.1Very high61 Ų6151.6 Ų51.629%0.28526%0.264SS..Hα-helixtrans-61.8-47.6171.5-71.1-59.2-15.800111.2Y86 Q87 L92 H93 E94Y86-Q90 HydrophobicContact CD1-CG 4.19Å; Y86-Q90 HydrophobicContact CD2-CG 4.39Å; Y86-Q90 HydrophobicContact CE1-CG 3.75Å; Y86-Q90 HydrophobicContact CE2-CG 3.99Å; Y86-Q90 VanDerWaalsContact CE2-NE2 3.3Å; Y86-Q90 HydrophobicContact CG-CG 4.5Å; Y86-Q90 WeakPolarHBondContact O-CG 3.48Å; Y86-Q90 PolarHBondContact O-N 2.89Å; Y86-Q90 PolarHBondContact OH-NE2 3.47Å; Q87-Q90 PolarHBondContact O-N 2.94Å; Q90-L92 PolarHBondContact O-N 3.29Å; Q90-H93 WeakPolarHBondContact O-CB 3.4Å; Q90-H93 PolarHBondContact O-N 2.86Å; Q90-E94 WeakPolarHBondContact O-CG 3.23Å; Q90-E94 PolarHBondContact O-N 3.41Å
91L94.7Very high95.1Very high73 Ų7357 Ų5738%0.38229%0.287SS..Hα-helixtrans-59.4-36.6175.6-177.658.8000112Q87 N88 E94 K95 L145Q87-L91 WeakPolarHBondContact O-CB 3.5Å; Q87-L91 PolarHBondContact O-N 3.46Å; N88-L91 PolarHBondContact O-N 3.19Å; L91-E94 PolarHBondContact O-N 3Å; L91-K95 HydrophobicContact CD1-CG 4.13Å; L91-K95 HydrophobicContact CG-CG 4.46Å; L91-K95 WeakPolarHBondContact O-CB 3.3Å; L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 3.03Å; L91-L145 HydrophobicContact CB-CD1 4.35Å; L91-L145 HydrophobicContact CD2-CD1 3.86Å; L91-L145 HydrophobicContact CG-CD1 4.13Å; L91-L145 HydrophobicContact CG-CD2 4.26Å
92L96.4Very high95.1Very high11 Ų1152.9 Ų52.96%0.05826%0.26CS..Hα-helixtrans-62.9-45.2174174.665.3000111.7N88 V89 Q90 R96 M142 L145 I149 F165 V170N88-L92 WeakPolarHBondContact O-CB 3.48Å; N88-L92 PolarHBondContact O-N 3.11Å; V89-L92 WeakPolarHBondContact O-CB 3.47Å; V89-L92 PolarHBondContact O-N 3.33Å; Q90-L92 PolarHBondContact O-N 3.29Å; L92-R96 WeakPolarHBondContact O-CB 3.45Å; L92-R96 PolarHBondContact O-N 2.95Å; L92-M142 HydrophobicContact CD1-CE 3.45Å; L92-M142 VanDerWaalsContact CD1-CE 3.45Å; L92-M142 HydrophobicContact CD1-SD 4.37Å; L92-L145 VanDerWaalsContact CA-CD2 3.45Å; L92-L145 HydrophobicContact CB-CD2 3.78Å; L92-L145 HydrophobicContact CD1-CD2 4Å; L92-I149 HydrophobicContact CB-CD1 4.11Å; L92-I149 HydrophobicContact CD2-CD1 3.9Å; L92-I149 HydrophobicContact CG-CD1 4.43Å; L92-F165 HydrophobicContact CD2-CE1 4.29Å; L92-F165 HydrophobicContact CD2-CZ 4.26Å; L92-V170 HydrophobicContact CD1-CG2 4.01Å; L92-V170 HydrophobicContact CD2-CG2 3.74Å
93H94.6Very high95Very high127 Ų12752.4 Ų52.459%0.58825%0.254SS*.Hα-helixtrans-60.2-48.1177.1-179.469.7000111.4V89 Q90 R96 S97V89-H93 PolarHBondContact O-N 3.5Å; Q90-H93 WeakPolarHBondContact O-CB 3.4Å; Q90-H93 PolarHBondContact O-N 2.86Å; H93-R96 PolarHBondContact O-N 3.17Å; H93-S97 WeakPolarHBondContact O-CB 3.5Å; H93-S97 PolarHBondContact O-N 3.46Å
94E94.7Very high94.9Very high87 Ų8757.5 Ų57.541%0.40728%0.275SS..Hα-helixtrans-59.6-52.2177.4-70.4173-166.800112.2Q90 L91 R96 S97 E98Q90-E94 WeakPolarHBondContact O-CG 3.23Å; Q90-E94 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 3Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3Å; E94-S97 WeakPolarHBondContact O-CB 3.42Å; E94-S97 PolarHBondContact O-N 3.24Å; E94-E98 PolarHBondContact O-N 2.76Å
95K96.9Very high94.8Very high44 Ų4460.3 Ų60.319%0.19129%0.285CS..Hα-helixtrans-63-40.4-179.4-74.3-59.4121.8-1770112L91 S97 E98 I99 M142L91-K95 HydrophobicContact CD1-CG 4.13Å; L91-K95 HydrophobicContact CG-CG 4.46Å; L91-K95 WeakPolarHBondContact O-CB 3.3Å; L91-K95 WeakPolarHBondContact O-CG 3.33Å; L91-K95 PolarHBondContact O-N 3.03Å; K95-S97 VanDerWaalsContact C-N 3.35Å; K95-E98 WeakPolarHBondContact CE-OE2 3.47Å; K95-E98 IonicContact NZ-OE2 3Å; K95-E98 PolarHBondContact NZ-OE2 3.45Å; K95-E98 PolarHBondContact O-N 2.95Å; K95-I99 WeakPolarHBondContact O-CB 3.45Å; K95-I99 WeakPolarHBondContact O-CD1 3.38Å; K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.4Å; K95-I99 PolarHBondContact O-N 3.44Å; K95-M142 HydrophobicContact CB-SD 4.06Å
96R96.8Very high94.6Very high99 Ų9963.1 Ų63.137%0.37430%0.298SS..Hα-helixtrans-61.5-45.3175.9-179.9178.4165.6179.6-3.9111.2L92 H93 E94 E98 I99 E100 V173L92-R96 WeakPolarHBondContact O-CB 3.45Å; L92-R96 PolarHBondContact O-N 2.95Å; H93-R96 PolarHBondContact O-N 3.17Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 2.93Å; R96-I99 PolarHBondContact O-N 2.86Å; R96-E100 HydrophobicContact CG-CG 4.45Å; R96-E100 IonicContact CZ-OE1 3.79Å; R96-E100 IonicContact NE-OE1 3.21Å; R96-E100 PolarHBondContact NE-OE1 3.3Å; R96-E100 IonicContact NH2-OE1 2.88Å; R96-E100 PolarHBondContact NH2-OE1 2.95Å; R96-E100 WeakPolarHBondContact O-CB 3.38Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 3.43Å; R96-V173 HydrophobicContact CG-CG2 4.3Å
97S96.1Very high94.5Very high67 Ų6766.7 Ų66.747%0.46933%0.326SS..Hα-helixtrans-60.3-42.5176.7-174.70000111.7H93 E94 K95 E100 K101H93-S97 WeakPolarHBondContact O-CB 3.5Å; H93-S97 PolarHBondContact O-N 3.46Å; E94-S97 WeakPolarHBondContact O-CB 3.42Å; E94-S97 PolarHBondContact O-N 3.24Å; K95-S97 VanDerWaalsContact C-N 3.35Å; S97-E100 PolarHBondContact O-N 2.03Å; S97-K101 VanDerWaalsContact O-CB 3.31Å; S97-K101 WeakPolarHBondContact O-CB 3.06Å; S97-K101 PolarHBondContact O-N 2.97Å
98E96.1Very high94.3Very high73 Ų7364.2 Ų64.234%0.34132%0.317SS..Hα-helixtrans-62.9-45.6175.5-171.2-175.1158.800112.5E94 K95 R96 K101 M102 Y138E94-E98 PolarHBondContact O-N 2.76Å; K95-E98 WeakPolarHBondContact CE-OE2 3.47Å; K95-E98 IonicContact NZ-OE2 3Å; K95-E98 PolarHBondContact NZ-OE2 3.45Å; K95-E98 PolarHBondContact O-N 2.95Å; R96-E98 VanDerWaalsContact C-N 3.32Å; R96-E98 PolarHBondContact O-N 2.93Å; E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.49Å; E98-M102 PolarHBondContact O-N 3.36Å; E98-Y138 HydrophobicContact CG-CE1 4.11Å; E98-Y138 VanDerWaalsContact OE1-CE1 3.31Å; E98-Y138 WeakPolarHBondContact OE1-CE1 3.29Å; E98-Y138 PolarHBondContact OE1-OH 3.46Å
99I96.6Very high94.2Very high4 Ų463.1 Ų63.12%0.02131%0.311CS..Hα-helixtrans-62.8-46.6177-70.7159000110.5K95 R96 K101 M102 L103 Y138 M142 V173 L177K95-I99 WeakPolarHBondContact O-CB 3.45Å; K95-I99 WeakPolarHBondContact O-CD1 3.38Å; K95-I99 VanDerWaalsContact O-CG1 3.26Å; K95-I99 WeakPolarHBondContact O-CG1 3.4Å; K95-I99 PolarHBondContact O-N 3.44Å; R96-I99 PolarHBondContact O-N 2.86Å; I99-K101 VanDerWaalsContact C-N 3.29Å; I99-K101 PolarHBondContact O-N 3.45Å; I99-M102 PolarHBondContact O-N 2.94Å; I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.29Å; I99-L103 PolarHBondContact O-N 2.9Å; I99-Y138 HydrophobicContact CD1-CD1 4.15Å; I99-Y138 HydrophobicContact CD1-CG 4.42Å; I99-Y138 HydrophobicContact CG1-CD1 3.55Å; I99-Y138 HydrophobicContact CG1-CE1 4.13Å; I99-Y138 HydrophobicContact CG1-CG 3.78Å; I99-M142 HydrophobicContact CD1-CG 3.52Å; I99-M142 HydrophobicContact CD1-SD 3.62Å; I99-V173 HydrophobicContact CD1-CG1 4.08Å; I99-V173 HydrophobicContact CG2-CG1 4.32Å; I99-L177 HydrophobicContact CD1-CD1 4.1Å; I99-L177 HydrophobicContact CG2-CD1 4.43Å; I99-L177 HydrophobicContact CG2-CD2 3.98Å; I99-L177 HydrophobicContact CG2-CG 4.4Å
100E95.2Very high94.1Very high70 Ų7066.7 Ų66.733%0.32733%0.326SS..Hα-helixtrans-58.8-44.6176.3-75.6-179.5-173.600110.4R96 S97 M102 L103 F104R96-E100 HydrophobicContact CG-CG 4.45Å; R96-E100 IonicContact CZ-OE1 3.79Å; R96-E100 IonicContact NE-OE1 3.21Å; R96-E100 PolarHBondContact NE-OE1 3.3Å; R96-E100 IonicContact NH2-OE1 2.88Å; R96-E100 PolarHBondContact NH2-OE1 2.95Å; R96-E100 WeakPolarHBondContact O-CB 3.38Å; R96-E100 WeakPolarHBondContact O-CG 3.46Å; R96-E100 PolarHBondContact O-N 3.43Å; S97-E100 PolarHBondContact O-N 2.03Å; E100-M102 PolarHBondContact O-N 3.17Å; E100-L103 PolarHBondContact O-N 3.46Å; E100-F104 HydrophobicContact CB-CD2 4.19Å; E100-F104 HydrophobicContact CB-CE2 4.34Å; E100-F104 HydrophobicContact CG-CE2 4.4Å; E100-F104 WeakPolarHBondContact O-CB 3.07Å; E100-F104 WeakPolarHBondContact O-CD2 3.41Å; E100-F104 PolarHBondContact O-N 3.23Å
101K95.2Very high94.1Very high128 Ų12865.8 Ų65.856%0.55733%0.333SS*.Hα-helixtrans-58.6-48.7175.8-172.6-179.7177.1179.40112.2S97 E98 I99 L103 F104 Q105S97-K101 VanDerWaalsContact O-CB 3.31Å; S97-K101 WeakPolarHBondContact O-CB 3.06Å; S97-K101 PolarHBondContact O-N 2.97Å; E98-K101 WeakPolarHBondContact O-CB 3.42Å; E98-K101 PolarHBondContact O-N 3.49Å; I99-K101 VanDerWaalsContact C-N 3.29Å; I99-K101 PolarHBondContact O-N 3.45Å; K101-L103 VanDerWaalsContact C-N 3.34Å; K101-L103 PolarHBondContact O-N 3.2Å; K101-F104 PolarHBondContact O-N 2.88Å; K101-Q105 HydrophobicContact CG-CB 4.45Å; K101-Q105 HydrophobicContact CG-CG 4.31Å; K101-Q105 VanDerWaalsContact CG-OE1 3.26Å; K101-Q105 WeakPolarHBondContact O-CA 3.41Å; K101-Q105 VanDerWaalsContact O-CB 3.23Å; K101-Q105 WeakPolarHBondContact O-CB 3Å; K101-Q105 PolarHBondContact O-N 3.05Å
102M93.6Very high94Very high8 Ų866.1 Ų66.14%0.03933%0.329CS..Hα-helixtrans-58.7-47.4176.6176-82.5-71.100110.6E98 I99 E100 F104 Q106 V109 L135 Y138 L177E98-M102 PolarHBondContact O-N 3.36Å; I99-M102 PolarHBondContact O-N 2.94Å; E100-M102 PolarHBondContact O-N 3.17Å; M102-F104 PolarHBondContact O-N 2.97Å; M102-Q106 HydrophobicContact CG-CB 4.5Å; M102-Q106 WeakPolarHBondContact O-CB 3.45Å; M102-Q106 PolarHBondContact O-N 3.28Å; M102-V109 HydrophobicContact SD-CG2 3.71Å; M102-L135 HydrophobicContact CE-CD2 3.9Å; M102-Y138 HydrophobicContact CB-CE2 4.42Å; M102-Y138 HydrophobicContact CE-CD2 3.68Å; M102-Y138 HydrophobicContact CE-CE2 3.91Å; M102-Y138 HydrophobicContact CG-CE2 4.15Å; M102-L177 HydrophobicContact CE-CD2 4.44Å
103L92.9Very high93.9Very high7 Ų766 Ų664%0.03733%0.329CS..Hα-helixtrans-65.7-39.2-177.8-69.3178.2000112.9I99 E100 K101 V109 Q110 L135 L180I99-L103 HydrophobicContact CG2-CD1 3.79Å; I99-L103 HydrophobicContact CG2-CG 4.21Å; I99-L103 WeakPolarHBondContact O-CB 3.46Å; I99-L103 VanDerWaalsContact O-CG 3.23Å; I99-L103 WeakPolarHBondContact O-CG 3.29Å; I99-L103 PolarHBondContact O-N 2.9Å; E100-L103 PolarHBondContact O-N 3.46Å; K101-L103 VanDerWaalsContact C-N 3.34Å; K101-L103 PolarHBondContact O-N 3.2Å; L103-V109 HydrophobicContact CD2-CG1 4.28Å; L103-Q110 PolarHBondContact O-NE2 3.12Å; L103-L135 HydrophobicContact CD2-CD2 4.42Å; L103-L180 HydrophobicContact CD1-CD1 4.2Å; L103-L180 HydrophobicContact CD2-CD1 3.37Å; L103-L180 HydrophobicContact CG-CD1 4.44Å
104F91.8Very high93.9Very high118 Ų11861.6 Ų61.652%0.51831%0.313SS..Hα-helixtrans-95.7-25.2-173.3-69.3-67.3000114.7E100 K101 M102 Q110E100-F104 HydrophobicContact CB-CD2 4.19Å; E100-F104 HydrophobicContact CB-CE2 4.34Å; E100-F104 HydrophobicContact CG-CE2 4.4Å; E100-F104 WeakPolarHBondContact O-CB 3.07Å; E100-F104 WeakPolarHBondContact O-CD2 3.41Å; E100-F104 PolarHBondContact O-N 3.23Å; K101-F104 PolarHBondContact O-N 2.88Å; M102-F104 PolarHBondContact O-N 2.97Å; F104-Q110 WeakPolarHBondContact O-CG 3.5Å
105Q92.1Very high93.7Very high141 Ų14163.8 Ų63.866%0.65933%0.327SS*.Hα-helixtrans-114.6-23-171.5-54.6-177.3-3.200113.5K101 S107K101-Q105 HydrophobicContact CG-CB 4.45Å; K101-Q105 HydrophobicContact CG-CG 4.31Å; K101-Q105 VanDerWaalsContact CG-OE1 3.26Å; K101-Q105 WeakPolarHBondContact O-CA 3.41Å; K101-Q105 VanDerWaalsContact O-CB 3.23Å; K101-Q105 WeakPolarHBondContact O-CB 3Å; K101-Q105 PolarHBondContact O-N 3.05Å; Q105-S107 PolarHBondContact O-N 3.16Å
106Q92.3Very high93.5Very high64 Ų6464.5 Ų64.530%0.29934%0.335SS..  trans-72.1120.3-177.9-167.7165.9-56.900110.7M102 S108 V109 Q110M102-Q106 HydrophobicContact CG-CB 4.5Å; M102-Q106 WeakPolarHBondContact O-CB 3.45Å; M102-Q106 PolarHBondContact O-N 3.28Å; Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 WeakPolarHBondContact CG-OG 3.29Å; Q106-S108 PolarHBondContact NE2-OG 3.34Å; Q106-S108 PolarHBondContact O-N 2.89Å; Q106-V109 HydrophobicContact CB-CB 4.36Å; Q106-V109 HydrophobicContact CB-CG2 4.14Å; Q106-V109 HydrophobicContact CG-CG2 4.31Å; Q106-V109 PolarHBondContact O-N 3.31Å; Q106-V109 VanDerWaalsContact O-N 3.12Å; Q106-Q110 PolarHBondContact O-N 2.61Å
107S91.4Very high93.2Very high94 Ų9460 Ų6066%0.65732%0.319SS*.Hα-helixtrans-61.6-34.1-17657.70000113.2Q105 G111Q105-S107 PolarHBondContact O-N 3.16Å; S107-G111 PolarHBondContact O-N 3.28Å
108S90.3Very high93.1Very high21 Ų2158.5 Ų58.515%0.14731%0.306CS..Hα-helixtrans-63.7-42.4175.957.20000111.6Q106 W112 I131Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 WeakPolarHBondContact CG-OG 3.29Å; Q106-S108 PolarHBondContact NE2-OG 3.34Å; Q106-S108 PolarHBondContact O-N 2.89Å; S108-W112 WeakPolarHBondContact O-CB 3.44Å; S108-W112 PolarHBondContact O-N 2.94Å; S108-I131 VanDerWaalsContact O-CD1 3.32Å; S108-I131 WeakPolarHBondContact O-CD1 3.29Å
109V92.4Very high92.9Very high6 Ų662.1 Ų62.14%0.03632%0.322CS..Hα-helixtrans-72.2-50.2178.9-178.70000110.7M102 L103 Q106 G111 L113 I131M102-V109 HydrophobicContact SD-CG2 3.71Å; L103-V109 HydrophobicContact CD2-CG1 4.28Å; Q106-V109 HydrophobicContact CB-CB 4.36Å; Q106-V109 HydrophobicContact CB-CG2 4.14Å; Q106-V109 HydrophobicContact CG-CG2 4.31Å; Q106-V109 PolarHBondContact O-N 3.31Å; Q106-V109 VanDerWaalsContact O-N 3.12Å; V109-G111 VanDerWaalsContact C-N 3.29Å; V109-G111 PolarHBondContact O-N 2.91Å; V109-L113 HydrophobicContact CG1-CB 4.31Å; V109-L113 CarbonylContact O-C 3.25Å; V109-L113 VanDerWaalsContact O-C 3.25Å; V109-L113 VanDerWaalsContact O-CA 3.27Å; V109-L113 WeakPolarHBondContact O-CA 3.29Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 PolarHBondContact O-N 3.49Å; V109-I131 HydrophobicContact CG2-CD1 4.44Å; V109-I131 HydrophobicContact CG2-CG1 4.28Å; V109-I131 HydrophobicContact CG2-CG2 4.11Å
110Q92.5Very high92.6Very high97 Ų9763.9 Ų63.945%0.45333%0.331SS..Hα-helixtrans-63.2-33.1-179.8-75.3-66.7-45.800113.2L103 F104 Q106 S114L103-Q110 PolarHBondContact O-NE2 3.12Å; F104-Q110 WeakPolarHBondContact O-CG 3.5Å; Q106-Q110 PolarHBondContact O-N 2.61Å; Q110-S114 WeakPolarHBondContact O-CB 3.49Å
111G92.7Very high92.5Very high43 Ų4363.3 Ų63.344%0.44333%0.33SS..Hα-helixtrans-80.8-49.2179.100000113.2S107 V109S107-G111 PolarHBondContact O-N 3.28Å; V109-G111 VanDerWaalsContact C-N 3.29Å; V109-G111 PolarHBondContact O-N 2.91Å
112W94.5Very high92.3Very high79 Ų7958.6 Ų58.630%0.29931%0.31SS..Hα-helixtrans-106.7-10.9-167-70.9-90.4000114.4S108 A117 S123 Y127 M128 I131S108-W112 WeakPolarHBondContact O-CB 3.44Å; S108-W112 PolarHBondContact O-N 2.94Å; W112-A117 WeakPolarHBondContact O-CB 3.45Å; W112-S123 VanDerWaalsContact CA-OG 3.28Å; W112-S123 WeakPolarHBondContact CA-OG 3.28Å; W112-S123 VanDerWaalsContact CB-OG 3.24Å; W112-S123 WeakPolarHBondContact CB-OG 3.38Å; W112-S123 VanDerWaalsContact O-CB 3.22Å; W112-S123 WeakPolarHBondContact O-CB 3.48Å; W112-S123 PolarHBondContact O-OG 2.91Å; W112-Y127 HydrophobicContact CB-CG 4.12Å; W112-Y127 AromaticContact CD1-CD2 3.48Å; W112-Y127 VanDerWaalsContact CD1-CD2 3.48Å; W112-Y127 AromaticContact CD1-CG 3.73Å; W112-Y127 AromaticContact CD2-CD1 3.59Å; W112-Y127 HydrophobicContact CD2-CD1 3.59Å; W112-Y127 AromaticContact CD2-CD2 3.66Å; W112-Y127 HydrophobicContact CD2-CD2 3.66Å; W112-Y127 AromaticContact CD2-CE1 3.78Å; W112-Y127 HydrophobicContact CD2-CE1 3.78Å; W112-Y127 AromaticContact CD2-CE2 3.85Å; W112-Y127 HydrophobicContact CD2-CE2 3.85Å; W112-Y127 AromaticContact CD2-CG 3.52Å; W112-Y127 HydrophobicContact CD2-CG 3.52Å; W112-Y127 AromaticContact CD2-CZ 3.89Å; W112-Y127 AromaticContact CE2-CD1 3.98Å; W112-Y127 AromaticContact CE2-CD2 3.35Å; W112-Y127 AromaticContact CE2-CE1 3.83Å; W112-Y127 AromaticContact CE2-CE2 3.16Å; W112-Y127 AromaticContact CE2-CG 3.75Å; W112-Y127 AromaticContact CE2-CZ 3.41Å; W112-Y127 VanDerWaalsContact CE2-CZ 3.41Å; W112-Y127 AromaticContact CE3-CD1 3.68Å; W112-Y127 HydrophobicContact CE3-CD1 3.68Å; W112-Y127 AromaticContact CE3-CE1 3.66Å; W112-Y127 HydrophobicContact CE3-CE1 3.66Å; W112-Y127 HydrophobicContact CE3-CE2 4.49Å; W112-Y127 HydrophobicContact CE3-CG 4.11Å; W112-Y127 HydrophobicContact CG-CD1 4.02Å; W112-Y127 AromaticContact CG-CD2 3.73Å; W112-Y127 HydrophobicContact CG-CD2 3.73Å; W112-Y127 HydrophobicContact CG-CE2 4.36Å; W112-Y127 AromaticContact CG-CG 3.51Å; W112-Y127 HydrophobicContact CG-CG 3.51Å; W112-Y127 HydrophobicContact CH2-CD1 4.41Å; W112-Y127 AromaticContact CH2-CE1 3.6Å; W112-Y127 HydrophobicContact CH2-CE1 3.6Å; W112-Y127 AromaticContact CH2-CE2 3.97Å; W112-Y127 HydrophobicContact CH2-CE2 3.97Å; W112-Y127 AromaticContact CH2-CZ 3.32Å; W112-Y127 VanDerWaalsContact CH2-OH 3.23Å; W112-Y127 WeakPolarHBondContact CH2-OH 3.09Å; W112-Y127 HydrophobicContact CZ2-CD1 4.38Å; W112-Y127 AromaticContact CZ2-CD2 3.96Å; W112-Y127 HydrophobicContact CZ2-CD2 3.96Å; W112-Y127 AromaticContact CZ2-CE1 3.76Å; W112-Y127 HydrophobicContact CZ2-CE1 3.76Å; W112-Y127 AromaticContact CZ2-CE2 3.25Å; W112-Y127 HydrophobicContact CZ2-CE2 3.25Å; W112-Y127 HydrophobicContact CZ2-CG 4.46Å; W112-Y127 AromaticContact CZ2-CZ 3.11Å; W112-Y127 VanDerWaalsContact CZ2-OH 3.23Å; W112-Y127 WeakPolarHBondContact CZ2-OH 3.41Å; W112-Y127 HydrophobicContact CZ3-CD1 4.08Å; W112-Y127 AromaticContact CZ3-CE1 3.56Å; W112-Y127 HydrophobicContact CZ3-CE1 3.56Å; W112-Y127 AromaticContact CZ3-CZ 3.81Å; W112-Y127 AromaticContact NE1-CD2 3.22Å; W112-Y127 AromaticContact NE1-CE2 3.36Å; W112-Y127 AromaticContact NE1-CG 3.85Å; W112-M128 HydrophobicContact CB-CE 3.92Å; W112-M128 VanDerWaalsContact O-CE 3.26Å; W112-M128 WeakPolarHBondContact O-CE 3.34Å; W112-I131 HydrophobicContact CB-CD1 4.4Å
113L94.4Very high92.2Very high8 Ų859.3 Ų59.34%0.04232%0.315CS..SBendtrans-122.835.5171.5-161.362.8000110.7V109 I118 M128 I131 L135 L180 A184 I187V109-L113 HydrophobicContact CG1-CB 4.31Å; V109-L113 CarbonylContact O-C 3.25Å; V109-L113 VanDerWaalsContact O-C 3.25Å; V109-L113 VanDerWaalsContact O-CA 3.27Å; V109-L113 WeakPolarHBondContact O-CA 3.29Å; V109-L113 WeakPolarHBondContact O-CB 3.36Å; V109-L113 PolarHBondContact O-N 3.49Å; L113-I118 HydrophobicContact CD1-CD1 4.43Å; L113-I118 HydrophobicContact CD1-CG1 4.11Å; L113-I118 HydrophobicContact CG-CD1 4.36Å; L113-M128 HydrophobicContact CD1-CE 4.5Å; L113-M128 HydrophobicContact CD1-SD 4.21Å; L113-I131 HydrophobicContact CD2-CG2 4.14Å; L113-L135 HydrophobicContact CD2-CD1 3.94Å; L113-L180 HydrophobicContact CD2-CB 4.17Å; L113-L180 HydrophobicContact CD2-CD2 3.99Å; L113-L180 HydrophobicContact CG-CD2 4.2Å; L113-A184 HydrophobicContact CD1-CB 3.95Å; L113-A184 HydrophobicContact CD2-CB 4.38Å; L113-I187 HydrophobicContact CD1-CD1 4.34Å
114S93.2Very high92.2Very high36 Ų3660.7 Ų60.725%0.25233%0.326SS..SBendtrans-69.4166.2174.765.40000112.4Q110 V116 A117 I118Q110-S114 WeakPolarHBondContact O-CB 3.49Å; S114-V116 PolarHBondContact O-N 2.84Å; S114-A117 WeakPolarHBondContact O-CA 3.28Å; S114-A117 WeakPolarHBondContact O-CB 3.28Å; S114-A117 PolarHBondContact O-N 3.23Å; S114-A117 PolarHBondContact OG-N 3.1Å; S114-I118 WeakPolarHBondContact O-CG1 3.29Å; S114-I118 PolarHBondContact O-N 3.02Å
115N91.8Very high92.2Very high132 Ų13257.2 Ų57.271%0.70632%0.315SS*.Hα-helixtrans-55.4-39.6174.2-65.3-10.3000112.1A117 I118 E119N115-A117 VanDerWaalsContact C-N 3.33Å; N115-A117 PolarHBondContact O-N 3.45Å; N115-I118 PolarHBondContact O-N 3.39Å; N115-E119 VanDerWaalsContact O-CB 3.29Å; N115-E119 WeakPolarHBondContact O-CB 3.46Å; N115-E119 WeakPolarHBondContact O-CG 3.18Å; N115-E119 PolarHBondContact O-N 3.21Å
116V90.9Very high92.3Very high59 Ų5957.8 Ų57.836%0.35831%0.311SS..Hα-helixtrans-65.6-39.6176.7179.30000110.8S114 I118 H120S114-V116 PolarHBondContact O-N 2.84Å; V116-I118 VanDerWaalsContact C-N 3.35Å; V116-H120 WeakPolarHBondContact O-CB 3.38Å; V116-H120 PolarHBondContact O-CD2 3.48Å; V116-H120 PolarHBondContact O-N 3.47Å; V116-H120 VanDerWaalsContact O-N 3.12Å
117A92.2Very high92.4Very high5 Ų557.7 Ų57.74%0.04131%0.309CS..Hα-helixtrans-63.8-41.9177.600000111.8W112 S114 N115 N121 M122 I187W112-A117 WeakPolarHBondContact O-CB 3.45Å; S114-A117 WeakPolarHBondContact O-CA 3.28Å; S114-A117 WeakPolarHBondContact O-CB 3.28Å; S114-A117 PolarHBondContact O-N 3.23Å; S114-A117 PolarHBondContact OG-N 3.1Å; N115-A117 VanDerWaalsContact C-N 3.33Å; N115-A117 PolarHBondContact O-N 3.45Å; A117-N121 CarbonylContact O-C 3.19Å; A117-N121 WeakPolarHBondContact O-CA 3.39Å; A117-N121 PolarHBondContact O-N 2.91Å; A117-M122 WeakPolarHBondContact CA-O 3.48Å; A117-M122 WeakPolarHBondContact CB-O 3.39Å; A117-M122 PolarHBondContact O-N 3.23Å; A117-I187 WeakPolarHBondContact O-CD1 3.42Å
118I93.2Very high92.5Very high36 Ų3653.2 Ų53.219%0.18528%0.277CS..Hα-helixtrans-69.1-54.5178.6-64.9168.9000110.8L113 S114 N115 V116 H120 N121 L180L113-I118 HydrophobicContact CD1-CD1 4.43Å; L113-I118 HydrophobicContact CD1-CG1 4.11Å; L113-I118 HydrophobicContact CG-CD1 4.36Å; S114-I118 WeakPolarHBondContact O-CG1 3.29Å; S114-I118 PolarHBondContact O-N 3.02Å; N115-I118 PolarHBondContact O-N 3.39Å; V116-I118 VanDerWaalsContact C-N 3.35Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 3.38Å; I118-N121 PolarHBondContact O-N 2.98Å; I118-N121 PolarHBondContact O-OD1 3.37Å; I118-L180 HydrophobicContact CD1-CD2 3.83Å
119E91.5Very high92.7Very high148 Ų14856.4 Ų56.469%0.69229%0.293SS*.Hα-helixtrans-60.5-39.6-175.7-72.1-65.9147.700112.9N115N115-E119 VanDerWaalsContact O-CB 3.29Å; N115-E119 WeakPolarHBondContact O-CB 3.46Å; N115-E119 WeakPolarHBondContact O-CG 3.18Å; N115-E119 PolarHBondContact O-N 3.21Å
120H91.1Very high92.7Very high42 Ų4260.1 Ų60.119%0.19431%0.312CS..THydrogen-bonded Turntrans-942.4178.9-65.5-77.6000113V116 I118 M122 R190 F198 L199V116-H120 WeakPolarHBondContact O-CB 3.38Å; V116-H120 PolarHBondContact O-CD2 3.48Å; V116-H120 PolarHBondContact O-N 3.47Å; V116-H120 VanDerWaalsContact O-N 3.12Å; I118-H120 VanDerWaalsContact C-N 3.32Å; I118-H120 PolarHBondContact O-N 3.38Å; H120-M122 HydrophobicContact CB-CG 3.74Å; H120-M122 HydrophobicContact CB-SD 3.93Å; H120-M122 PolarHBondContact O-N 2.9Å; H120-R190 PolarHBondContact O-NH1 3.24Å; H120-F198 HydrophobicContact CB-CE2 4.43Å; H120-F198 HydrophobicContact CB-CZ 4.45Å; H120-F198 AromaticContact CD2-CE2 3.5Å; H120-F198 AromaticContact CE1-CD2 3.34Å; H120-F198 WeakPolarHBondContact CE1-CD2 3.4Å; H120-F198 AromaticContact CE1-CE2 3.44Å; H120-F198 VanDerWaalsContact CE1-CE2 3.44Å; H120-F198 WeakPolarHBondContact CE1-CE2 3.45Å; H120-F198 AromaticContact CG-CE2 3.57Å; H120-F198 AromaticContact ND1-CD2 3.52Å; H120-F198 AromaticContact ND1-CE2 3.54Å; H120-F198 AromaticContact NE2-CD2 3.76Å; H120-F198 AromaticContact NE2-CE2 3.4Å; H120-F198 WeakPolarHBondContact NE2-CE2 3.43Å; H120-L199 PolarHBondContact CE1-O 3.08Å
121N91.8Very high92.8Very high58 Ų5855.6 Ų55.631%0.3129%0.291SS..THydrogen-bonded Turntrans46.548.9-175.3-75.1-60.8000111.3A117 I118 R190A117-N121 CarbonylContact O-C 3.19Å; A117-N121 WeakPolarHBondContact O-CA 3.39Å; A117-N121 PolarHBondContact O-N 2.91Å; I118-N121 PolarHBondContact O-N 2.98Å; I118-N121 PolarHBondContact O-OD1 3.37Å; N121-R190 WeakPolarHBondContact O-CD 3.41Å; N121-R190 PolarHBondContact O-NH1 3.49Å
122M90.7Very high93Very high29 Ų2954.6 Ų54.614%0.14328%0.275CS..  trans-133.1124.5-175.166.2172.9-73.500111.5A117 H120 F193 P194 F198A117-M122 WeakPolarHBondContact CA-O 3.48Å; A117-M122 WeakPolarHBondContact CB-O 3.39Å; A117-M122 PolarHBondContact O-N 3.23Å; H120-M122 HydrophobicContact CB-CG 3.74Å; H120-M122 HydrophobicContact CB-SD 3.93Å; H120-M122 PolarHBondContact O-N 2.9Å; M122-F193 HydrophobicContact CB-CD1 3.93Å; M122-P194 HydrophobicContact SD-CG 4.35Å; M122-F198 HydrophobicContact CE-CE1 4.3Å; M122-F198 HydrophobicContact CE-CZ 4.44Å; M122-F198 HydrophobicContact SD-CE1 3.46Å; M122-F198 WeakPolarHBondContact SD-CE1 3.44Å; M122-F198 HydrophobicContact SD-CZ 3.37Å; M122-F198 WeakPolarHBondContact SD-CZ 3.23Å
123S93.2Very high93.1Very high22 Ų2254.3 Ų54.315%0.15428%0.283CS..SBendtrans-165.6-171170.6-156.70000109.3W112 P125 I187 F193W112-S123 VanDerWaalsContact CA-OG 3.28Å; W112-S123 WeakPolarHBondContact CA-OG 3.28Å; W112-S123 VanDerWaalsContact CB-OG 3.24Å; W112-S123 WeakPolarHBondContact CB-OG 3.38Å; W112-S123 VanDerWaalsContact O-CB 3.22Å; W112-S123 WeakPolarHBondContact O-CB 3.48Å; W112-S123 PolarHBondContact O-OG 2.91Å; S123-P125 WeakPolarHBondContact O-CD 3.43Å; S123-I187 VanDerWaalsContact CB-CG2 3.4Å; S123-F193 WeakPolarHBondContact O-CE1 3.33Å; S123-F193 WeakPolarHBondContact O-CZ 3.48Å
124S92.1Very high93.1Very high37 Ų3757 Ų5726%0.25930%0.298SS..  trans-87.3120.2170.2172.30000110.2W126 Y127 M128S124-W126 PolarHBondContact O-N 2.82Å; S124-W126 PolarHBondContact OG-N 3.37Å; S124-Y127 PolarHBondContact O-N 3.35Å; S124-Y127 VanDerWaalsContact O-N 3.1Å; S124-M128 PolarHBondContact O-N 2.93Å
125P92.5Very high93.3Very high44 Ų4455.3 Ų55.329%0.28629%0.286SS..Hα-helixtrans-56.5-30.4173.5-27.136.1000113.1S123 Y127 M128 N129 F193S123-P125 WeakPolarHBondContact O-CD 3.43Å; P125-Y127 PolarHBondContact O-N 3.27Å; P125-M128 WeakPolarHBondContact O-CB 3.26Å; P125-M128 PolarHBondContact O-N 3.31Å; P125-N129 PolarHBondContact O-N 3.14Å; P125-N129 VanDerWaalsContact O-N 3.08Å; P125-F193 HydrophobicContact CG-CZ 4.29Å
126W92.8Very high93.6Very high153 Ų15351.4 Ų51.458%0.5827%0.267SS*.Hα-helixtrans-62.7-42.4176.5-177.383.8000112.2S124 M128 N129 L130S124-W126 PolarHBondContact O-N 2.82Å; S124-W126 PolarHBondContact OG-N 3.37Å; W126-M128 VanDerWaalsContact C-N 3.32Å; W126-M128 PolarHBondContact O-N 3.45Å; W126-N129 WeakPolarHBondContact O-CB 3.41Å; W126-N129 PolarHBondContact O-N 2.98Å; W126-L130 HydrophobicContact CD2-CD1 4.42Å; W126-L130 HydrophobicContact CE3-CD1 3.97Å; W126-L130 HydrophobicContact CH2-CD1 3.58Å; W126-L130 HydrophobicContact CZ2-CD1 4.04Å; W126-L130 HydrophobicContact CZ3-CD1 3.53Å; W126-L130 PolarHBondContact O-N 3.46Å
127Y94.3Very high93.9Very high62 Ų6251.2 Ų51.224%0.24327%0.268CS..Hα-helixtrans-69.6-30.6174.9-79.2-87.4000112.2W112 S124 P125 N129 L130 I131W112-Y127 HydrophobicContact CB-CG 4.12Å; W112-Y127 AromaticContact CD1-CD2 3.48Å; W112-Y127 VanDerWaalsContact CD1-CD2 3.48Å; W112-Y127 AromaticContact CD1-CG 3.73Å; W112-Y127 AromaticContact CD2-CD1 3.59Å; W112-Y127 HydrophobicContact CD2-CD1 3.59Å; W112-Y127 AromaticContact CD2-CD2 3.66Å; W112-Y127 HydrophobicContact CD2-CD2 3.66Å; W112-Y127 AromaticContact CD2-CE1 3.78Å; W112-Y127 HydrophobicContact CD2-CE1 3.78Å; W112-Y127 AromaticContact CD2-CE2 3.85Å; W112-Y127 HydrophobicContact CD2-CE2 3.85Å; W112-Y127 AromaticContact CD2-CG 3.52Å; W112-Y127 HydrophobicContact CD2-CG 3.52Å; W112-Y127 AromaticContact CD2-CZ 3.89Å; W112-Y127 AromaticContact CE2-CD1 3.98Å; W112-Y127 AromaticContact CE2-CD2 3.35Å; W112-Y127 AromaticContact CE2-CE1 3.83Å; W112-Y127 AromaticContact CE2-CE2 3.16Å; W112-Y127 AromaticContact CE2-CG 3.75Å; W112-Y127 AromaticContact CE2-CZ 3.41Å; W112-Y127 VanDerWaalsContact CE2-CZ 3.41Å; W112-Y127 AromaticContact CE3-CD1 3.68Å; W112-Y127 HydrophobicContact CE3-CD1 3.68Å; W112-Y127 AromaticContact CE3-CE1 3.66Å; W112-Y127 HydrophobicContact CE3-CE1 3.66Å; W112-Y127 HydrophobicContact CE3-CE2 4.49Å; W112-Y127 HydrophobicContact CE3-CG 4.11Å; W112-Y127 HydrophobicContact CG-CD1 4.02Å; W112-Y127 AromaticContact CG-CD2 3.73Å; W112-Y127 HydrophobicContact CG-CD2 3.73Å; W112-Y127 HydrophobicContact CG-CE2 4.36Å; W112-Y127 AromaticContact CG-CG 3.51Å; W112-Y127 HydrophobicContact CG-CG 3.51Å; W112-Y127 HydrophobicContact CH2-CD1 4.41Å; W112-Y127 AromaticContact CH2-CE1 3.6Å; W112-Y127 HydrophobicContact CH2-CE1 3.6Å; W112-Y127 AromaticContact CH2-CE2 3.97Å; W112-Y127 HydrophobicContact CH2-CE2 3.97Å; W112-Y127 AromaticContact CH2-CZ 3.32Å; W112-Y127 VanDerWaalsContact CH2-OH 3.23Å; W112-Y127 WeakPolarHBondContact CH2-OH 3.09Å; W112-Y127 HydrophobicContact CZ2-CD1 4.38Å; W112-Y127 AromaticContact CZ2-CD2 3.96Å; W112-Y127 HydrophobicContact CZ2-CD2 3.96Å; W112-Y127 AromaticContact CZ2-CE1 3.76Å; W112-Y127 HydrophobicContact CZ2-CE1 3.76Å; W112-Y127 AromaticContact CZ2-CE2 3.25Å; W112-Y127 HydrophobicContact CZ2-CE2 3.25Å; W112-Y127 HydrophobicContact CZ2-CG 4.46Å; W112-Y127 AromaticContact CZ2-CZ 3.11Å; W112-Y127 VanDerWaalsContact CZ2-OH 3.23Å; W112-Y127 WeakPolarHBondContact CZ2-OH 3.41Å; W112-Y127 HydrophobicContact CZ3-CD1 4.08Å; W112-Y127 AromaticContact CZ3-CE1 3.56Å; W112-Y127 HydrophobicContact CZ3-CE1 3.56Å; W112-Y127 AromaticContact CZ3-CZ 3.81Å; W112-Y127 AromaticContact NE1-CD2 3.22Å; W112-Y127 AromaticContact NE1-CE2 3.36Å; W112-Y127 AromaticContact NE1-CG 3.85Å; S124-Y127 PolarHBondContact O-N 3.35Å; S124-Y127 VanDerWaalsContact O-N 3.1Å; P125-Y127 PolarHBondContact O-N 3.27Å; Y127-N129 VanDerWaalsContact C-N 3.29Å; Y127-N129 PolarHBondContact O-N 2.8Å; Y127-L130 HydrophobicContact CD1-CD1 4.38Å; Y127-L130 WeakPolarHBondContact O-CB 3.46Å; Y127-L130 PolarHBondContact O-N 2.84Å; Y127-L130 VanDerWaalsContact O-N 3.09Å; Y127-I131 WeakPolarHBondContact O-CG1 3.43Å; Y127-I131 PolarHBondContact O-N 2.86Å
128M94.8Very high94.1Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-63.1-38.1173.4-61.2-58.797.900111.3W112 L113 S124 P125 W126 L130 I131 I132 A184 I187 Q188W112-M128 HydrophobicContact CB-CE 3.92Å; W112-M128 VanDerWaalsContact O-CE 3.26Å; W112-M128 WeakPolarHBondContact O-CE 3.34Å; L113-M128 HydrophobicContact CD1-CE 4.5Å; L113-M128 HydrophobicContact CD1-SD 4.21Å; S124-M128 PolarHBondContact O-N 2.93Å; P125-M128 WeakPolarHBondContact O-CB 3.26Å; P125-M128 PolarHBondContact O-N 3.31Å; W126-M128 VanDerWaalsContact C-N 3.32Å; W126-M128 PolarHBondContact O-N 3.45Å; M128-L130 PolarHBondContact O-N 3.28Å; M128-I131 HydrophobicContact CE-CD1 3.87Å; M128-I131 PolarHBondContact O-N 3.28Å; M128-I132 HydrophobicContact CB-CD1 4.02Å; M128-I132 VanDerWaalsContact O-CB 3.29Å; M128-I132 WeakPolarHBondContact O-CB 3.26Å; M128-I132 WeakPolarHBondContact O-CD1 3.46Å; M128-I132 VanDerWaalsContact O-CG1 3.24Å; M128-I132 WeakPolarHBondContact O-CG1 3.4Å; M128-I132 PolarHBondContact O-N 3.34Å; M128-A184 HydrophobicContact SD-CB 3.71Å; M128-I187 HydrophobicContact CG-CB 4.2Å; M128-I187 HydrophobicContact CG-CG2 3.7Å; M128-I187 HydrophobicContact SD-CB 4.19Å; M128-I187 HydrophobicContact SD-CG2 3.95Å; M128-Q188 HydrophobicContact CB-CB 3.83Å; M128-Q188 HydrophobicContact CB-CG 4.16Å; M128-Q188 HydrophobicContact CG-CB 4.26Å
129N93.7Very high94.3Very high89 Ų8953.4 Ų53.448%0.47628%0.275SS..Hα-helixtrans-61.4-26.3173.9-65.5-22000113.2P125 W126 Y127 P133 Q188P125-N129 PolarHBondContact O-N 3.14Å; P125-N129 VanDerWaalsContact O-N 3.08Å; W126-N129 WeakPolarHBondContact O-CB 3.41Å; W126-N129 PolarHBondContact O-N 2.98Å; Y127-N129 VanDerWaalsContact C-N 3.29Å; Y127-N129 PolarHBondContact O-N 2.8Å; N129-P133 VanDerWaalsContact O-CD 3.26Å; N129-P133 WeakPolarHBondContact O-CD 3.31Å; N129-P133 WeakPolarHBondContact O-CG 3.45Å; N129-Q188 PolarHBondContact OD1-NE2 3.32Å
130L93Very high94.6Very high84 Ų8450.2 Ų50.244%0.4426%0.262SS..Hα-helixtrans-83.8-39.4175.9-61.1177.5000112.3W126 Y127 M128W126-L130 HydrophobicContact CD2-CD1 4.42Å; W126-L130 HydrophobicContact CE3-CD1 3.97Å; W126-L130 HydrophobicContact CH2-CD1 3.58Å; W126-L130 HydrophobicContact CZ2-CD1 4.04Å; W126-L130 HydrophobicContact CZ3-CD1 3.53Å; W126-L130 PolarHBondContact O-N 3.46Å; Y127-L130 HydrophobicContact CD1-CD1 4.38Å; Y127-L130 WeakPolarHBondContact O-CB 3.46Å; Y127-L130 PolarHBondContact O-N 2.84Å; Y127-L130 VanDerWaalsContact O-N 3.09Å; M128-L130 PolarHBondContact O-N 3.28Å
131I95.2Very high94.9Very high1 Ų151.3 Ų51.31%0.00527%0.268CS..Hα-helixtrans-83.7-37.9-172.2-64.7162.8000112.3S108 V109 W112 L113 Y127 M128 D134 L135S108-I131 VanDerWaalsContact O-CD1 3.32Å; S108-I131 WeakPolarHBondContact O-CD1 3.29Å; V109-I131 HydrophobicContact CG2-CD1 4.44Å; V109-I131 HydrophobicContact CG2-CG1 4.28Å; V109-I131 HydrophobicContact CG2-CG2 4.11Å; W112-I131 HydrophobicContact CB-CD1 4.4Å; L113-I131 HydrophobicContact CD2-CG2 4.14Å; Y127-I131 WeakPolarHBondContact O-CG1 3.43Å; Y127-I131 PolarHBondContact O-N 2.86Å; M128-I131 HydrophobicContact CE-CD1 3.87Å; M128-I131 PolarHBondContact O-N 3.28Å; I131-D134 PolarHBondContact O-N 2.97Å; I131-L135 HydrophobicContact CG2-CD1 3.82Å; I131-L135 HydrophobicContact CG2-CG 3.94Å; I131-L135 PolarHBondContact O-N 3.33Å
132I96.6Very high95.2Very high22 Ų2248.6 Ų48.611%0.11325%0.253CS..Hα-helixtrans-57.3-46.6-175.6-75.2168000112.7M128 D134 L135 V136 L181 A184 Q188M128-I132 HydrophobicContact CB-CD1 4.02Å; M128-I132 VanDerWaalsContact O-CB 3.29Å; M128-I132 WeakPolarHBondContact O-CB 3.26Å; M128-I132 WeakPolarHBondContact O-CD1 3.46Å; M128-I132 VanDerWaalsContact O-CG1 3.24Å; M128-I132 WeakPolarHBondContact O-CG1 3.4Å; M128-I132 PolarHBondContact O-N 3.34Å; I132-D134 VanDerWaalsContact C-N 3.28Å; I132-D134 PolarHBondContact O-N 3.17Å; I132-L135 PolarHBondContact O-N 3.06Å; I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CG2 3.41Å; I132-V136 PolarHBondContact O-N 2.91Å; I132-L181 HydrophobicContact CB-CD1 4.46Å; I132-L181 HydrophobicContact CG1-CD1 4.33Å; I132-L181 HydrophobicContact CG2-CD1 3.84Å; I132-A184 HydrophobicContact CD1-CB 4.15Å; I132-A184 HydrophobicContact CG1-CB 3.74Å; I132-Q188 HydrophobicContact CD1-CB 4.12Å; I132-Q188 HydrophobicContact CD1-CG 4.34Å
133P96.3Very high95.6Very high73 Ų7349.9 Ų49.947%0.47426%0.262SS..Hα-helixtrans-56.5-41.6178.2-2736.2000113.1N129 V136 S137N129-P133 VanDerWaalsContact O-CD 3.26Å; N129-P133 WeakPolarHBondContact O-CD 3.31Å; N129-P133 WeakPolarHBondContact O-CG 3.45Å; P133-V136 PolarHBondContact O-N 2.91Å; P133-S137 VanDerWaalsContact O-CB 3.29Å; P133-S137 WeakPolarHBondContact O-CB 3.47Å; P133-S137 PolarHBondContact O-N 2.95Å
134D94.4Very high95.8Very high64 Ų6454.6 Ų54.634%0.34228%0.282SS..Hα-helixtrans-65.3-45.8177.5-66-18.1000110.9I131 I132 V136 S137 Y138I131-D134 PolarHBondContact O-N 2.97Å; I132-D134 VanDerWaalsContact C-N 3.28Å; I132-D134 PolarHBondContact O-N 3.17Å; D134-V136 VanDerWaalsContact C-N 3.35Å; D134-V136 PolarHBondContact O-N 3.26Å; D134-S137 WeakPolarHBondContact O-CB 3.26Å; D134-S137 PolarHBondContact O-N 2.83Å; D134-Y138 HydrophobicContact CB-CD2 4.47Å; D134-Y138 HydrophobicContact CB-CE2 4.42Å; D134-Y138 WeakPolarHBondContact O-CD2 3.23Å; D134-Y138 PolarHBondContact O-N 3.31Å
135L96.3Very high96.1Very high1 Ų153.2 Ų53.21%0.00527%0.272CS..Hα-helixtrans-59.7-43.8177-68.1179.3000112.2M102 L103 L113 I131 I132 K139 L177 L180 L181 A184M102-L135 HydrophobicContact CE-CD2 3.9Å; L103-L135 HydrophobicContact CD2-CD2 4.42Å; L113-L135 HydrophobicContact CD2-CD1 3.94Å; I131-L135 HydrophobicContact CG2-CD1 3.82Å; I131-L135 HydrophobicContact CG2-CG 3.94Å; I131-L135 PolarHBondContact O-N 3.33Å; I132-L135 PolarHBondContact O-N 3.06Å; L135-K139 VanDerWaalsContact O-CB 3.26Å; L135-K139 WeakPolarHBondContact O-CB 3.19Å; L135-K139 PolarHBondContact O-N 2.85Å; L135-L177 HydrophobicContact CD2-CD2 3.95Å; L135-L180 HydrophobicContact CD1-CB 4.16Å; L135-L180 HydrophobicContact CD2-CB 4.49Å; L135-L181 HydrophobicContact CB-CD1 4.37Å; L135-A184 HydrophobicContact CD1-CB 4.35Å
136V97.8Very high96.3Very high51 Ų5151.9 Ų51.931%0.30926%0.264SS..Hα-helixtrans-63.3-45.9176.3171.90000110.5I132 P133 D134 K139 N140 L181I132-V136 HydrophobicContact CG2-CG2 4.2Å; I132-V136 WeakPolarHBondContact O-CG2 3.41Å; I132-V136 PolarHBondContact O-N 2.91Å; P133-V136 PolarHBondContact O-N 2.91Å; D134-V136 VanDerWaalsContact C-N 3.35Å; D134-V136 PolarHBondContact O-N 3.26Å; V136-K139 PolarHBondContact O-N 3.48Å; V136-N140 WeakPolarHBondContact O-CB 3.42Å; V136-N140 VanDerWaalsContact O-CG 3.26Å; V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 PolarHBondContact O-ND2 2.89Å; V136-L181 HydrophobicContact CG2-CD1 3.7Å; V136-L181 HydrophobicContact CG2-CD2 3.84Å; V136-L181 HydrophobicContact CG2-CG 4.45Å
137S97.5Very high96.6Very high55 Ų5549.5 Ų49.539%0.38526%0.262SS..Hα-helixtrans-58.7-52.4178.6-178.10000111.5P133 D134 K139 N140 Q141P133-S137 VanDerWaalsContact O-CB 3.29Å; P133-S137 WeakPolarHBondContact O-CB 3.47Å; P133-S137 PolarHBondContact O-N 2.95Å; D134-S137 WeakPolarHBondContact O-CB 3.26Å; D134-S137 PolarHBondContact O-N 2.83Å; S137-K139 PolarHBondContact O-N 3.21Å; S137-N140 PolarHBondContact O-N 2.94Å; S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.42Å; S137-Q141 PolarHBondContact O-N 2.82Å; S137-Q141 PolarHBondContact O-NE2 2.98Å; S137-Q141 PolarHBondContact OG-NE2 3.19Å
138Y97.5Very high96.7Very high34 Ų3449.4 Ų49.413%0.13327%0.265CS..Hα-helixtrans-62.6-41178.2-76.6-58.9000112.3E98 I99 M102 D134 N140 Q141 M142E98-Y138 HydrophobicContact CG-CE1 4.11Å; E98-Y138 VanDerWaalsContact OE1-CE1 3.31Å; E98-Y138 WeakPolarHBondContact OE1-CE1 3.29Å; E98-Y138 PolarHBondContact OE1-OH 3.46Å; I99-Y138 HydrophobicContact CD1-CD1 4.15Å; I99-Y138 HydrophobicContact CD1-CG 4.42Å; I99-Y138 HydrophobicContact CG1-CD1 3.55Å; I99-Y138 HydrophobicContact CG1-CE1 4.13Å; I99-Y138 HydrophobicContact CG1-CG 3.78Å; M102-Y138 HydrophobicContact CB-CE2 4.42Å; M102-Y138 HydrophobicContact CE-CD2 3.68Å; M102-Y138 HydrophobicContact CE-CE2 3.91Å; M102-Y138 HydrophobicContact CG-CE2 4.15Å; D134-Y138 HydrophobicContact CB-CD2 4.47Å; D134-Y138 HydrophobicContact CB-CE2 4.42Å; D134-Y138 WeakPolarHBondContact O-CD2 3.23Å; D134-Y138 PolarHBondContact O-N 3.31Å; Y138-N140 PolarHBondContact O-N 3.27Å; Y138-Q141 PolarHBondContact O-N 2.87Å; Y138-M142 WeakPolarHBondContact O-CB 3.23Å; Y138-M142 VanDerWaalsContact O-CG 3.26Å; Y138-M142 WeakPolarHBondContact O-CG 3.46Å; Y138-M142 PolarHBondContact O-N 2.96Å
139K97.8Very high96.9Very high52 Ų5249.5 Ų49.523%0.22627%0.266CS..Hα-helixtrans-60.4-48177.3-176-165.1164.6-161.50110.9L135 V136 S137 M142 V143 I174 L177 L181L135-K139 VanDerWaalsContact O-CB 3.26Å; L135-K139 WeakPolarHBondContact O-CB 3.19Å; L135-K139 PolarHBondContact O-N 2.85Å; V136-K139 PolarHBondContact O-N 3.48Å; S137-K139 PolarHBondContact O-N 3.21Å; K139-M142 PolarHBondContact O-N 3.42Å; K139-V143 WeakPolarHBondContact O-CG2 3.31Å; K139-V143 PolarHBondContact O-N 2.94Å; K139-I174 HydrophobicContact CG-CG2 4.48Å; K139-L177 HydrophobicContact CB-CB 4.25Å; K139-L177 HydrophobicContact CB-CD1 4.35Å; K139-L181 HydrophobicContact CD-CD2 4.45Å
140N98Very high97.1Very high81 Ų8147.9 Ų47.943%0.43325%0.253SS..Hα-helixtrans-63.4-43.6-179.5-70.1-14.3000111.5V136 S137 Y138 M142 V143 E144V136-N140 WeakPolarHBondContact O-CB 3.42Å; V136-N140 VanDerWaalsContact O-CG 3.26Å; V136-N140 PolarHBondContact O-N 3.45Å; V136-N140 PolarHBondContact O-ND2 2.89Å; S137-N140 PolarHBondContact O-N 2.94Å; Y138-N140 PolarHBondContact O-N 3.27Å; N140-M142 VanDerWaalsContact C-N 3.32Å; N140-M142 PolarHBondContact O-N 3.43Å; N140-V143 PolarHBondContact O-N 3.49Å; N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 3.42Å
141Q97.5Very high97.3Very high66 Ų6651.2 Ų51.231%0.30826%0.26SS..Hα-helixtrans-58.4-43.4174.7-72.6174.664.900112S137 Y138 E144 L145S137-Q141 VanDerWaalsContact O-CG 3.32Å; S137-Q141 WeakPolarHBondContact O-CG 3.42Å; S137-Q141 PolarHBondContact O-N 2.82Å; S137-Q141 PolarHBondContact O-NE2 2.98Å; S137-Q141 PolarHBondContact OG-NE2 3.19Å; Y138-Q141 PolarHBondContact O-N 2.87Å; Q141-E144 PolarHBondContact O-N 3.44Å; Q141-L145 VanDerWaalsContact O-CB 3.28Å; Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 PolarHBondContact O-N 3.32Å
142M98Very high97.4Very high1 Ų151.6 Ų51.61%0.00526%0.263CS..Hα-helixtrans-65.8-37.7177-70.6-62.4-5800112.5L92 K95 I99 Y138 K139 N140 L145 S146 V170 V173 I174 L177L92-M142 HydrophobicContact CD1-CE 3.45Å; L92-M142 VanDerWaalsContact CD1-CE 3.45Å; L92-M142 HydrophobicContact CD1-SD 4.37Å; K95-M142 HydrophobicContact CB-SD 4.06Å; I99-M142 HydrophobicContact CD1-CG 3.52Å; I99-M142 HydrophobicContact CD1-SD 3.62Å; Y138-M142 WeakPolarHBondContact O-CB 3.23Å; Y138-M142 VanDerWaalsContact O-CG 3.26Å; Y138-M142 WeakPolarHBondContact O-CG 3.46Å; Y138-M142 PolarHBondContact O-N 2.96Å; K139-M142 PolarHBondContact O-N 3.42Å; N140-M142 VanDerWaalsContact C-N 3.32Å; N140-M142 PolarHBondContact O-N 3.43Å; M142-L145 PolarHBondContact O-N 3.4Å; M142-S146 WeakPolarHBondContact O-CB 3.4Å; M142-S146 PolarHBondContact O-N 3.33Å; M142-V170 HydrophobicContact CE-CG1 4.24Å; M142-V173 HydrophobicContact CE-CB 4.04Å; M142-V173 HydrophobicContact CE-CG1 3.93Å; M142-V173 HydrophobicContact CG-CG1 4.36Å; M142-V173 HydrophobicContact SD-CG1 4.46Å; M142-I174 HydrophobicContact CB-CD1 4.32Å; M142-I174 HydrophobicContact CB-CG1 3.76Å; M142-L177 HydrophobicContact CG-CD1 4.24Å
143V98.1Very high97.4Very high55 Ų5550.6 Ų50.633%0.33326%0.258SS..Hα-helixtrans-65.4-46.4174.9170.40000111K139 N140 L145 S146 L147 I174K139-V143 WeakPolarHBondContact O-CG2 3.31Å; K139-V143 PolarHBondContact O-N 2.94Å; N140-V143 PolarHBondContact O-N 3.49Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.27Å; V143-S146 VanDerWaalsContact O-CB 3.29Å; V143-S146 WeakPolarHBondContact O-CB 3.31Å; V143-S146 PolarHBondContact O-N 2.96Å; V143-L147 WeakPolarHBondContact O-CG 3.5Å; V143-L147 PolarHBondContact O-N 2.99Å; V143-L147 VanDerWaalsContact O-N 3.1Å; V143-I174 HydrophobicContact CG2-CD1 3.97Å; V143-I174 HydrophobicContact CG2-CG1 4.48Å; V143-I174 HydrophobicContact CG2-CG2 4.24Å
144E97.6Very high97.4Very high121 Ų12150.8 Ų50.857%0.56526%0.255SS*.Hα-helixtrans-59.8-44175.9-73177173.700111.5N140 Q141 S146 L147 N148N140-E144 WeakPolarHBondContact O-CG 3.45Å; N140-E144 PolarHBondContact O-N 3.42Å; Q141-E144 PolarHBondContact O-N 3.44Å; E144-S146 VanDerWaalsContact C-N 3.34Å; E144-S146 PolarHBondContact O-N 2.88Å; E144-L147 PolarHBondContact O-N 2.9Å; E144-N148 PolarHBondContact O-N 2.95Å; E144-N148 PolarHBondContact O-ND2 3.1Å
145L97.5Very high97.5Very high8 Ų854.7 Ų54.74%0.04227%0.271CS..Hα-helixtrans-63-40.4176.6-172.757000111.9N88 L91 L92 Q141 M142 V143 L147 N148 I149N88-L145 HydrophobicContact CB-CD1 4.46Å; L91-L145 HydrophobicContact CB-CD1 4.35Å; L91-L145 HydrophobicContact CD2-CD1 3.86Å; L91-L145 HydrophobicContact CG-CD1 4.13Å; L91-L145 HydrophobicContact CG-CD2 4.26Å; L92-L145 VanDerWaalsContact CA-CD2 3.45Å; L92-L145 HydrophobicContact CB-CD2 3.78Å; L92-L145 HydrophobicContact CD1-CD2 4Å; Q141-L145 VanDerWaalsContact O-CB 3.28Å; Q141-L145 WeakPolarHBondContact O-CB 3.46Å; Q141-L145 PolarHBondContact O-N 3.32Å; M142-L145 PolarHBondContact O-N 3.4Å; V143-L145 VanDerWaalsContact C-N 3.31Å; V143-L145 PolarHBondContact O-N 3.27Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.43Å; L145-N148 PolarHBondContact O-N 2.65Å; L145-I149 HydrophobicContact CD1-CD1 4.28Å; L145-I149 HydrophobicContact CD1-CG1 4.34Å; L145-I149 HydrophobicContact CG-CD1 3.91Å; L145-I149 HydrophobicContact CG-CG1 4.42Å; L145-I149 WeakPolarHBondContact O-CB 3.14Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 2.82Å
146S98Very high97.4Very high17 Ų1759.6 Ų59.612%0.11930%0.295CS..Hα-helixtrans-56.4-44173.5-167.60000112.1M142 V143 E144 R150M142-S146 WeakPolarHBondContact O-CB 3.4Å; M142-S146 PolarHBondContact O-N 3.33Å; V143-S146 VanDerWaalsContact O-CB 3.29Å; V143-S146 WeakPolarHBondContact O-CB 3.31Å; V143-S146 PolarHBondContact O-N 2.96Å; E144-S146 VanDerWaalsContact C-N 3.34Å; E144-S146 PolarHBondContact O-N 2.88Å; S146-R150 WeakPolarHBondContact O-CB 3.5Å; S146-R150 PolarHBondContact O-N 3.1Å
147L98.1Very high97.3Very high102 Ų10259.6 Ų59.653%0.53429%0.291SS..Hα-helixtrans-67.6-38.8179.1-66.1173.6000111.8V143 E144 L145 R151V143-L147 WeakPolarHBondContact O-CG 3.5Å; V143-L147 PolarHBondContact O-N 2.99Å; V143-L147 VanDerWaalsContact O-N 3.1Å; E144-L147 PolarHBondContact O-N 2.9Å; L145-L147 VanDerWaalsContact C-N 3.3Å; L145-L147 PolarHBondContact O-N 3.43Å; L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 2.88Å
148N97.5Very high97.2Very high61 Ų6165.9 Ų65.933%0.32631%0.307SS..Hα-helixtrans-68.8-44.6177.8-68.8-25.8000112N88 E144 L145 R150 R151 A152N88-N148 WeakPolarHBondContact OD1-CB 3.29Å; E144-N148 PolarHBondContact O-N 2.95Å; E144-N148 PolarHBondContact O-ND2 3.1Å; L145-N148 PolarHBondContact O-N 2.65Å; N148-R150 PolarHBondContact O-N 3.07Å; N148-R151 PolarHBondContact O-N 2.88Å; N148-R151 PolarHBondContact OD1-NH1 3.31Å; N148-A152 PolarHBondContact O-N 2.88Å
149I97.3Very high97.2Very high1 Ų170 Ų701%0.00533%0.328CS..Hα-helixtrans-58.2-48.8173.2-70.6168000110.1N88 L92 L145 R151 A152 M153 F165 L166 V170N88-I149 HydrophobicContact CB-CG1 3.68Å; L92-I149 HydrophobicContact CB-CD1 4.11Å; L92-I149 HydrophobicContact CD2-CD1 3.9Å; L92-I149 HydrophobicContact CG-CD1 4.43Å; L145-I149 HydrophobicContact CD1-CD1 4.28Å; L145-I149 HydrophobicContact CD1-CG1 4.34Å; L145-I149 HydrophobicContact CG-CD1 3.91Å; L145-I149 HydrophobicContact CG-CG1 4.42Å; L145-I149 WeakPolarHBondContact O-CB 3.14Å; L145-I149 VanDerWaalsContact O-CG1 3.29Å; L145-I149 WeakPolarHBondContact O-CG1 3.32Å; L145-I149 PolarHBondContact O-N 2.82Å; I149-R151 VanDerWaalsContact C-N 3.32Å; I149-R151 PolarHBondContact O-N 3.28Å; I149-A152 PolarHBondContact O-N 3.44Å; I149-M153 HydrophobicContact CG2-CG 4.05Å; I149-M153 HydrophobicContact CG2-SD 3.54Å; I149-M153 VanDerWaalsContact CG2-SD 3.54Å; I149-M153 WeakPolarHBondContact O-CB 3.26Å; I149-M153 WeakPolarHBondContact O-CG 3.49Å; I149-M153 PolarHBondContact O-N 3.45Å; I149-F165 HydrophobicContact CG2-CD1 4.07Å; I149-F165 HydrophobicContact CG2-CE1 3.83Å; I149-L166 HydrophobicContact CB-CD2 4.2Å; I149-L166 HydrophobicContact CG2-CD2 3.81Å; I149-V170 HydrophobicContact CD1-CG2 4.36Å
150R98.2Very high97.1Very high56 Ų5672.1 Ų72.121%0.21134%0.342CS..Hα-helixtrans-54.5-51.1178.6-175.8173.5-17077.3-8.3111S146 N148 A152 M153 L154 E159 V162 D163 L166S146-R150 WeakPolarHBondContact O-CB 3.5Å; S146-R150 PolarHBondContact O-N 3.1Å; N148-R150 PolarHBondContact O-N 3.07Å; R150-A152 PolarHBondContact O-N 3.45Å; R150-M153 PolarHBondContact O-N 2.87Å; R150-L154 HydrophobicContact CG-CD1 3.8Å; R150-L154 HydrophobicContact CG-CG 4.3Å; R150-L154 WeakPolarHBondContact O-CB 3.17Å; R150-L154 VanDerWaalsContact O-CG 3.23Å; R150-L154 WeakPolarHBondContact O-CG 3.46Å; R150-L154 PolarHBondContact O-N 2.71Å; R150-E159 IonicContact NH2-OE1 2.65Å; R150-E159 PolarHBondContact NH2-OE1 3.38Å; R150-V162 HydrophobicContact CB-CG1 4.34Å; R150-V162 HydrophobicContact CG-CG1 4.02Å; R150-D163 IonicContact CZ-OD1 3.33Å; R150-D163 IonicContact NH1-OD1 2.92Å; R150-D163 PolarHBondContact NH1-OD1 3.27Å; R150-D163 IonicContact NH2-OD1 2.9Å; R150-D163 PolarHBondContact NH2-OD1 3.41Å; R150-D163 IonicContact NH2-OD2 2.88Å; R150-L166 HydrophobicContact CB-CD1 3.96Å; R150-L166 HydrophobicContact CG-CD1 4.33Å
151R97.8Very high96.9Very high153 Ų15369.4 Ų69.458%0.57733%0.328SS*.Hα-helixtrans-57.7-49.7-179.4-169.5-172.2-54.4112.15.3111.5L147 N148 I149L147-R151 WeakPolarHBondContact O-CB 3.29Å; L147-R151 PolarHBondContact O-N 2.88Å; N148-R151 PolarHBondContact O-N 2.88Å; N148-R151 PolarHBondContact OD1-NH1 3.31Å; I149-R151 VanDerWaalsContact C-N 3.32Å; I149-R151 PolarHBondContact O-N 3.28Å
152A96.5Very high96.9Very high10 Ų1066.2 Ų66.28%0.08331%0.313CS..Hα-helixtrans-66.7-40.8-178.200000112.3D84 I85 N148 I149 R150 E155D84-A152 HydrophobicContact CB-CB 4.46Å; I85-A152 HydrophobicContact CG1-CB 3.91Å; N148-A152 PolarHBondContact O-N 2.88Å; I149-A152 PolarHBondContact O-N 3.44Å; R150-A152 PolarHBondContact O-N 3.45Å; A152-E155 PolarHBondContact O-N 3.26Å
153M96.6Very high96.9Very high1 Ų169.5 Ų69.51%0.00533%0.331CS..Hα-helixtrans-70.7-33.7-178.9-72.2-174.263.800113.1F31 I85 I149 R150 E155 M156 F157 V162 F165F31-M153 HydrophobicContact CD2-CE 3.92Å; F31-M153 HydrophobicContact CE2-CE 3.17Å; F31-M153 HydrophobicContact CE2-SD 4.19Å; F31-M153 HydrophobicContact CZ-CE 3.66Å; I85-M153 HydrophobicContact CD1-CG 4.3Å; I85-M153 HydrophobicContact CG1-CG 4.31Å; I85-M153 HydrophobicContact CG2-CG 3.99Å; I149-M153 HydrophobicContact CG2-CG 4.05Å; I149-M153 HydrophobicContact CG2-SD 3.54Å; I149-M153 VanDerWaalsContact CG2-SD 3.54Å; I149-M153 WeakPolarHBondContact O-CB 3.26Å; I149-M153 WeakPolarHBondContact O-CG 3.49Å; I149-M153 PolarHBondContact O-N 3.45Å; R150-M153 PolarHBondContact O-N 2.87Å; M153-E155 PolarHBondContact O-N 3.47Å; M153-E155 VanDerWaalsContact O-N 3.15Å; M153-M156 PolarHBondContact O-N 3.47Å; M153-M156 VanDerWaalsContact O-N 3.1Å; M153-F157 HydrophobicContact CB-CD2 4.24Å; M153-F157 HydrophobicContact CE-CD2 4.16Å; M153-F157 WeakPolarHBondContact O-CB 3.31Å; M153-F157 WeakPolarHBondContact O-CD2 3.21Å; M153-F157 PolarHBondContact O-N 2.89Å; M153-V162 HydrophobicContact CB-CB 4.42Å; M153-V162 HydrophobicContact CB-CG1 3.95Å; M153-V162 HydrophobicContact CB-CG2 3.67Å; M153-V162 HydrophobicContact CE-CG2 4.24Å; M153-V162 HydrophobicContact SD-CG1 4.36Å; M153-F165 HydrophobicContact CE-CB 3.99Å; M153-F165 HydrophobicContact CE-CD1 4.34Å; M153-F165 HydrophobicContact CE-CG 4.06Å; M153-F165 HydrophobicContact SD-CB 4.38Å; M153-F165 HydrophobicContact SD-CD1 3.68Å; M153-F165 HydrophobicContact SD-CE1 4.16Å; M153-F165 HydrophobicContact SD-CG 4.01Å
154L97.5Very high96.8Very high77 Ų7769.2 Ų69.240%0.40333%0.326SS..THydrogen-bonded Turntrans-64.5-14.6178.2-76173.5000113.6R150 M156 E159 V162R150-L154 HydrophobicContact CG-CD1 3.8Å; R150-L154 HydrophobicContact CG-CG 4.3Å; R150-L154 WeakPolarHBondContact O-CB 3.17Å; R150-L154 VanDerWaalsContact O-CG 3.23Å; R150-L154 WeakPolarHBondContact O-CG 3.46Å; R150-L154 PolarHBondContact O-N 2.71Å; L154-M156 VanDerWaalsContact C-N 3.27Å; L154-M156 PolarHBondContact O-N 2.84Å; L154-E159 HydrophobicContact CD2-CB 4.15Å; L154-V162 HydrophobicContact CD2-CB 4.43Å; L154-V162 HydrophobicContact CD2-CG2 3.91Å; L154-V162 HydrophobicContact CG-CG2 4.23Å
155E95.8Very high96.7Very high146 Ų14664.1 Ų64.168%0.68230%0.302SS*.THydrogen-bonded Turntrans-70.8-23.5174-61.1-174.1176.100112.8A152 M153A152-E155 PolarHBondContact O-N 3.26Å; M153-E155 PolarHBondContact O-N 3.47Å; M153-E155 VanDerWaalsContact O-N 3.15Å
156M94.7Very high96.7Very high103 Ų10364.2 Ų64.251%0.50730%0.302SS..THydrogen-bonded Turntrans-132-17.8-172.1-59-174.473.400114.4P33 I85 M153 L154P33-M156 HydrophobicContact CG-CE 4.48Å; P33-M156 HydrophobicContact CG-SD 4.28Å; I85-M156 HydrophobicContact CD1-SD 4.22Å; M153-M156 PolarHBondContact O-N 3.47Å; M153-M156 VanDerWaalsContact O-N 3.1Å; L154-M156 VanDerWaalsContact C-N 3.27Å; L154-M156 PolarHBondContact O-N 2.84Å
157F95.6Very high96.7Very high51 Ų5168.8 Ų68.822%0.22433%0.325CS..SBendtrans-123.1151-174.8-61.3-75.1000112F31 P33 I85 M153 T161 V162F31-F157 HydrophobicContact CB-CE2 4.47Å; F31-F157 HydrophobicContact CB-CZ 3.88Å; F31-F157 HydrophobicContact CD1-CE1 4.25Å; F31-F157 HydrophobicContact CD1-CZ 4.29Å; F31-F157 HydrophobicContact CG-CE1 4.45Å; F31-F157 HydrophobicContact CG-CE2 4.46Å; F31-F157 HydrophobicContact CG-CZ 4.03Å; P33-F157 HydrophobicContact CG-CE2 4.32Å; P33-F157 HydrophobicContact CG-CZ 4.25Å; I85-F157 HydrophobicContact CD1-CD2 4.17Å; I85-F157 HydrophobicContact CD1-CE2 3.79Å; M153-F157 HydrophobicContact CB-CD2 4.24Å; M153-F157 HydrophobicContact CE-CD2 4.16Å; M153-F157 WeakPolarHBondContact O-CB 3.31Å; M153-F157 WeakPolarHBondContact O-CD2 3.21Å; M153-F157 PolarHBondContact O-N 2.89Å; F157-T161 HydrophobicContact CB-CG2 4.49Å; F157-T161 HydrophobicContact CD1-CG2 4.48Å; F157-V162 HydrophobicContact CB-CG2 4.07Å
158Y96Very high96.6Very high187 Ų18766.2 Ų66.273%0.73331%0.313SS*.  trans-65.4147.1173.4-61.8-71.8000111.6N160 T161 V162Y158-N160 VanDerWaalsContact C-N 3.27Å; Y158-N160 VanDerWaalsContact CB-OD1 3.24Å; Y158-N160 WeakPolarHBondContact CB-OD1 3.35Å; Y158-N160 PolarHBondContact O-N 3.47Å; Y158-T161 WeakPolarHBondContact O-CB 3.41Å; Y158-T161 PolarHBondContact O-N 3.37Å; Y158-V162 WeakPolarHBondContact O-CG2 3.14Å; Y158-V162 PolarHBondContact O-N 2.93Å; Y158-V162 VanDerWaalsContact O-N 3.15Å
159E97.4Very high96.5Very high120 Ų12066.4 Ų66.456%0.56131%0.31SS*.Hα-helixtrans-51.6-43.4-177.2-178.1166.4-154.900113.1R150 L154 T161 V162 D163R150-E159 IonicContact NH2-OE1 2.65Å; R150-E159 PolarHBondContact NH2-OE1 3.38Å; L154-E159 HydrophobicContact CD2-CB 4.15Å; E159-T161 VanDerWaalsContact C-N 3.31Å; E159-T161 PolarHBondContact O-N 3.36Å; E159-V162 WeakPolarHBondContact O-CB 3.45Å; E159-V162 PolarHBondContact O-N 3.44Å; E159-V162 VanDerWaalsContact O-N 3.11Å; E159-D163 PolarHBondContact O-N 3.48Å
160N95.8Very high96.5Very high98 Ų9866.3 Ų66.352%0.52431%0.31SS..Hα-helixtrans-61.6-37.417975.4-66.8000112.7Y158 V162 E164Y158-N160 VanDerWaalsContact C-N 3.27Å; Y158-N160 VanDerWaalsContact CB-OD1 3.24Å; Y158-N160 WeakPolarHBondContact CB-OD1 3.35Å; Y158-N160 PolarHBondContact O-N 3.47Å; N160-V162 VanDerWaalsContact C-N 3.34Å; N160-E164 VanDerWaalsContact O-CB 3.31Å; N160-E164 WeakPolarHBondContact O-CB 3.42Å; N160-E164 PolarHBondContact O-N 3.44Å
161T94.4Very high96.5Very high23 Ų2366.3 Ų66.314%0.14131%0.314CS..Hα-helixtrans-68.8-37.9177.3-580000110.6L28 F31 F157 Y158 E159 F165L28-T161 HydrophobicContact CD1-CG2 3.95Å; L28-T161 HydrophobicContact CD2-CG2 4.48Å; F31-T161 HydrophobicContact CE1-CG2 4.02Å; F31-T161 HydrophobicContact CZ-CG2 4.12Å; F157-T161 HydrophobicContact CB-CG2 4.49Å; F157-T161 HydrophobicContact CD1-CG2 4.48Å; Y158-T161 WeakPolarHBondContact O-CB 3.41Å; Y158-T161 PolarHBondContact O-N 3.37Å; E159-T161 VanDerWaalsContact C-N 3.31Å; E159-T161 PolarHBondContact O-N 3.36Å; T161-F165 WeakPolarHBondContact O-CB 3.27Å; T161-F165 PolarHBondContact O-N 2.79Å
162V96.8Very high96.5Very high0 Ų062.3 Ų62.30%031%0.308CS..Hα-helixtrans-66.4-47.2175.7-174.50000110.6R150 M153 L154 F157 Y158 E159 N160 E164 F165 L166R150-V162 HydrophobicContact CB-CG1 4.34Å; R150-V162 HydrophobicContact CG-CG1 4.02Å; M153-V162 HydrophobicContact CB-CB 4.42Å; M153-V162 HydrophobicContact CB-CG1 3.95Å; M153-V162 HydrophobicContact CB-CG2 3.67Å; M153-V162 HydrophobicContact CE-CG2 4.24Å; M153-V162 HydrophobicContact SD-CG1 4.36Å; L154-V162 HydrophobicContact CD2-CB 4.43Å; L154-V162 HydrophobicContact CD2-CG2 3.91Å; L154-V162 HydrophobicContact CG-CG2 4.23Å; F157-V162 HydrophobicContact CB-CG2 4.07Å; Y158-V162 WeakPolarHBondContact O-CG2 3.14Å; Y158-V162 PolarHBondContact O-N 2.93Å; Y158-V162 VanDerWaalsContact O-N 3.15Å; E159-V162 WeakPolarHBondContact O-CB 3.45Å; E159-V162 PolarHBondContact O-N 3.44Å; E159-V162 VanDerWaalsContact O-N 3.11Å; N160-V162 VanDerWaalsContact C-N 3.34Å; V162-E164 PolarHBondContact O-N 3.4Å; V162-F165 PolarHBondContact O-N 2.75Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.48Å; V162-L166 WeakPolarHBondContact O-CG 3.03Å; V162-L166 PolarHBondContact O-N 2.87Å
163D97.4Very high96.5Very high70 Ų7062.7 Ų62.737%0.37431%0.309SS..Hα-helixtrans-59.8-45.1177.4-71-30.1000111.7R150 E159 F165 L166 L167R150-D163 IonicContact CZ-OD1 3.33Å; R150-D163 IonicContact NH1-OD1 2.92Å; R150-D163 PolarHBondContact NH1-OD1 3.27Å; R150-D163 IonicContact NH2-OD1 2.9Å; R150-D163 PolarHBondContact NH2-OD1 3.41Å; R150-D163 IonicContact NH2-OD2 2.88Å; E159-D163 PolarHBondContact O-N 3.48Å; D163-F165 VanDerWaalsContact C-N 3.35Å; D163-F165 PolarHBondContact O-N 3.42Å; D163-L166 PolarHBondContact O-N 2.89Å; D163-L167 VanDerWaalsContact O-CB 3.23Å; D163-L167 WeakPolarHBondContact O-CB 3.42Å; D163-L167 PolarHBondContact O-N 3.44Å
164E96.2Very high96.6Very high49 Ų4963.8 Ų63.823%0.22932%0.315CS..Hα-helixtrans-61.5-42177-178.9176.7165.500112.1R21 L28 N160 V162 T168R21-E164 IonicContact CZ-OE1 3.29Å; R21-E164 VanDerWaalsContact CZ-OE1 3.29Å; R21-E164 IonicContact CZ-OE2 3.59Å; R21-E164 IonicContact NH1-OE1 3.28Å; R21-E164 PolarHBondContact NH1-OE1 2.76Å; R21-E164 IonicContact NH1-OE2 3.87Å; R21-E164 IonicContact NH2-OE1 3.07Å; R21-E164 PolarHBondContact NH2-OE1 3.36Å; R21-E164 IonicContact NH2-OE2 2.62Å; R21-E164 PolarHBondContact NH2-OE2 3.5Å; L28-E164 HydrophobicContact CD1-CB 4.21Å; L28-E164 HydrophobicContact CD1-CG 4.03Å; L28-E164 HydrophobicContact CG-CG 4.25Å; N160-E164 VanDerWaalsContact O-CB 3.31Å; N160-E164 WeakPolarHBondContact O-CB 3.42Å; N160-E164 PolarHBondContact O-N 3.44Å; V162-E164 PolarHBondContact O-N 3.4Å; E164-T168 VanDerWaalsContact O-CB 3.26Å; E164-T168 WeakPolarHBondContact O-CB 3.37Å; E164-T168 PolarHBondContact O-N 2.92Å; E164-T168 PolarHBondContact O-OG1 3.44Å
165F95.9Very high96.6Very high13 Ų1363.7 Ų63.76%0.05732%0.317CS..Hα-helixtrans-61-49.8175.7177.5-91.8000111.6L28 F31 V89 L92 I149 M153 T161 V162 D163 T168 Y169L28-F165 HydrophobicContact CD1-CB 4.19Å; F31-F165 HydrophobicContact CD2-CD2 4.35Å; F31-F165 HydrophobicContact CD2-CE2 4.49Å; F31-F165 HydrophobicContact CE2-CB 4.19Å; F31-F165 AromaticContact CE2-CD2 3.32Å; F31-F165 HydrophobicContact CE2-CD2 3.32Å; F31-F165 AromaticContact CE2-CE2 3.84Å; F31-F165 HydrophobicContact CE2-CE2 3.84Å; F31-F165 AromaticContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CE2-CG 3.84Å; F31-F165 HydrophobicContact CZ-CB 4.12Å; F31-F165 AromaticContact CZ-CD2 3.77Å; F31-F165 HydrophobicContact CZ-CD2 3.77Å; F31-F165 HydrophobicContact CZ-CG 4.23Å; V89-F165 HydrophobicContact CG2-CZ 4.03Å; L92-F165 HydrophobicContact CD2-CE1 4.29Å; L92-F165 HydrophobicContact CD2-CZ 4.26Å; I149-F165 HydrophobicContact CG2-CD1 4.07Å; I149-F165 HydrophobicContact CG2-CE1 3.83Å; M153-F165 HydrophobicContact CE-CB 3.99Å; M153-F165 HydrophobicContact CE-CD1 4.34Å; M153-F165 HydrophobicContact CE-CG 4.06Å; M153-F165 HydrophobicContact SD-CB 4.38Å; M153-F165 HydrophobicContact SD-CD1 3.68Å; M153-F165 HydrophobicContact SD-CE1 4.16Å; M153-F165 HydrophobicContact SD-CG 4.01Å; T161-F165 WeakPolarHBondContact O-CB 3.27Å; T161-F165 PolarHBondContact O-N 2.79Å; V162-F165 PolarHBondContact O-N 2.75Å; D163-F165 VanDerWaalsContact C-N 3.35Å; D163-F165 PolarHBondContact O-N 3.42Å; F165-T168 PolarHBondContact O-N 2.88Å; F165-Y169 AromaticContact CD2-CD2 3.42Å; F165-Y169 HydrophobicContact CD2-CD2 3.42Å; F165-Y169 VanDerWaalsContact CD2-CD2 3.42Å; F165-Y169 AromaticContact CD2-CE2 3.69Å; F165-Y169 HydrophobicContact CD2-CE2 3.69Å; F165-Y169 AromaticContact CE2-CD2 3.45Å; F165-Y169 HydrophobicContact CE2-CD2 3.45Å; F165-Y169 VanDerWaalsContact CE2-CD2 3.45Å; F165-Y169 AromaticContact CE2-CE2 3.84Å; F165-Y169 HydrophobicContact CE2-CE2 3.84Å; F165-Y169 HydrophobicContact CE2-CG 4.32Å; F165-Y169 HydrophobicContact CG-CD2 4.03Å; F165-Y169 HydrophobicContact CZ-CD2 4.06Å; F165-Y169 VanDerWaalsContact O-CD2 3.3Å; F165-Y169 WeakPolarHBondContact O-CD2 3.4Å; F165-Y169 PolarHBondContact O-N 3.24Å
166L97.9Very high96.7Very high10 Ų1061.6 Ų61.65%0.05230%0.303CS..Hα-helixtrans-62.6-45.2-179.5-66.6172.9000111.2I149 R150 V162 D163 T168 Y169 V170 D171I149-L166 HydrophobicContact CB-CD2 4.2Å; I149-L166 HydrophobicContact CG2-CD2 3.81Å; R150-L166 HydrophobicContact CB-CD1 3.96Å; R150-L166 HydrophobicContact CG-CD1 4.33Å; V162-L166 HydrophobicContact CG1-CD1 4.07Å; V162-L166 HydrophobicContact CG1-CG 4.48Å; V162-L166 WeakPolarHBondContact O-CG 3.03Å; V162-L166 PolarHBondContact O-N 2.87Å; D163-L166 PolarHBondContact O-N 2.89Å; L166-T168 PolarHBondContact O-N 3.19Å; L166-Y169 PolarHBondContact O-N 3.07Å; L166-V170 HydrophobicContact CD2-CB 4.27Å; L166-V170 HydrophobicContact CD2-CG2 3.81Å; L166-V170 WeakPolarHBondContact O-CA 3.44Å; L166-V170 WeakPolarHBondContact O-CB 3.41Å; L166-V170 PolarHBondContact O-N 3.01Å; L166-D171 PolarHBondContact O-N 3.4Å
167L97.5Very high96.8Very high113 Ų11356.7 Ų56.759%0.59228%0.279SS*.Hα-helixtrans-62.6-32.1177.6-175.460.5000112.6D163 D171 P172D163-L167 VanDerWaalsContact O-CB 3.23Å; D163-L167 WeakPolarHBondContact O-CB 3.42Å; D163-L167 PolarHBondContact O-N 3.44Å; L167-D171 WeakPolarHBondContact CA-OD2 3.34Å; L167-D171 HydrophobicContact CD1-CB 4.21Å; L167-D171 WeakPolarHBondContact CD1-OD2 3.36Å; L167-P172 VanDerWaalsContact O-CD 3.32Å; L167-P172 WeakPolarHBondContact O-CD 3.36Å
168T95.8Very high96.9Very high48 Ų4856.6 Ų56.629%0.29428%0.279SS..Hα-helixtrans-79.4-43.3-179.7-58.50000112.2V27 E164 F165 L166V27-T168 HydrophobicContact CB-CG2 4.27Å; V27-T168 HydrophobicContact CG1-CG2 3.8Å; E164-T168 VanDerWaalsContact O-CB 3.26Å; E164-T168 WeakPolarHBondContact O-CB 3.37Å; E164-T168 PolarHBondContact O-N 2.92Å; E164-T168 PolarHBondContact O-OG1 3.44Å; F165-T168 PolarHBondContact O-N 2.88Å; L166-T168 PolarHBondContact O-N 3.19Å
169Y95.5Very high96.9Very high65 Ų6552 Ų5226%0.25527%0.268SS..Hα-helixtrans-113.4-24.3-166-60.5-69000115.2L28 F165 L166L28-Y169 PolarHBondContact O-OH 2.98Å; F165-Y169 AromaticContact CD2-CD2 3.42Å; F165-Y169 HydrophobicContact CD2-CD2 3.42Å; F165-Y169 VanDerWaalsContact CD2-CD2 3.42Å; F165-Y169 AromaticContact CD2-CE2 3.69Å; F165-Y169 HydrophobicContact CD2-CE2 3.69Å; F165-Y169 AromaticContact CE2-CD2 3.45Å; F165-Y169 HydrophobicContact CE2-CD2 3.45Å; F165-Y169 VanDerWaalsContact CE2-CD2 3.45Å; F165-Y169 AromaticContact CE2-CE2 3.84Å; F165-Y169 HydrophobicContact CE2-CE2 3.84Å; F165-Y169 HydrophobicContact CE2-CG 4.32Å; F165-Y169 HydrophobicContact CG-CD2 4.03Å; F165-Y169 HydrophobicContact CZ-CD2 4.06Å; F165-Y169 VanDerWaalsContact O-CD2 3.3Å; F165-Y169 WeakPolarHBondContact O-CD2 3.4Å; F165-Y169 PolarHBondContact O-N 3.24Å; L166-Y169 PolarHBondContact O-N 3.07Å
170V97.5Very high96.8Very high0 Ų047.5 Ų47.50%025%0.247CC..THydrogen-bonded Turntrans-108.2-52.9-172.5-175.70000111.2L92 M142 I149 L166 P172 V173 I174L92-V170 HydrophobicContact CD1-CG2 4.01Å; L92-V170 HydrophobicContact CD2-CG2 3.74Å; M142-V170 HydrophobicContact CE-CG1 4.24Å; I149-V170 HydrophobicContact CD1-CG2 4.36Å; L166-V170 HydrophobicContact CD2-CB 4.27Å; L166-V170 HydrophobicContact CD2-CG2 3.81Å; L166-V170 WeakPolarHBondContact O-CA 3.44Å; L166-V170 WeakPolarHBondContact O-CB 3.41Å; L166-V170 PolarHBondContact O-N 3.01Å; V170-P172 VanDerWaalsContact C-CD 3.44Å; V170-V173 WeakPolarHBondContact O-CB 3.26Å; V170-V173 PolarHBondContact O-N 2.84Å; V170-I174 HydrophobicContact CG1-CD1 3.77Å; V170-I174 HydrophobicContact CG1-CG1 4.38Å; V170-I174 PolarHBondContact O-N 3.03Å
171D97.9Very high96.9Very high56 Ų5643.8 Ų43.830%0.29923%0.227SC..Hα-helixtrans-57.9-38.4-175.5-68.1-0.4000114.2L166 L167 V173 I174 T175L166-D171 PolarHBondContact O-N 3.4Å; L167-D171 WeakPolarHBondContact CA-OD2 3.34Å; L167-D171 HydrophobicContact CD1-CB 4.21Å; L167-D171 WeakPolarHBondContact CD1-OD2 3.36Å; D171-V173 VanDerWaalsContact C-N 3.26Å; D171-V173 PolarHBondContact O-N 2.61Å; D171-I174 PolarHBondContact O-N 3.12Å; D171-T175 VanDerWaalsContact O-CB 3.28Å; D171-T175 WeakPolarHBondContact O-CB 3.35Å; D171-T175 PolarHBondContact O-N 3.37Å; D171-T175 PolarHBondContact O-OG1 3.24Å
172P97.5Very high97Very high68 Ų6846.3 Ų46.344%0.44224%0.24SC..Hα-helixtrans-62.9-34.2177.4-24.836.7000112.5L167 V170 R176L167-P172 VanDerWaalsContact O-CD 3.32Å; L167-P172 WeakPolarHBondContact O-CD 3.36Å; V170-P172 VanDerWaalsContact C-CD 3.44Å; P172-R176 VanDerWaalsContact O-CB 3.29Å; P172-R176 WeakPolarHBondContact O-CB 3.49Å; P172-R176 PolarHBondContact O-N 2.84Å
173V97.3Very high96.9Very high18 Ų1847.5 Ų47.511%0.10925%0.248CC..Hα-helixtrans-71.2-46.9178.1-177.70000110.1R96 I99 M142 V170 D171 T175 R176 L177R96-V173 HydrophobicContact CG-CG2 4.3Å; I99-V173 HydrophobicContact CD1-CG1 4.08Å; I99-V173 HydrophobicContact CG2-CG1 4.32Å; M142-V173 HydrophobicContact CE-CB 4.04Å; M142-V173 HydrophobicContact CE-CG1 3.93Å; M142-V173 HydrophobicContact CG-CG1 4.36Å; M142-V173 HydrophobicContact SD-CG1 4.46Å; V170-V173 WeakPolarHBondContact O-CB 3.26Å; V170-V173 PolarHBondContact O-N 2.84Å; D171-V173 VanDerWaalsContact C-N 3.26Å; D171-V173 PolarHBondContact O-N 2.61Å; V173-T175 VanDerWaalsContact C-N 3.34Å; V173-T175 PolarHBondContact O-N 2.93Å; V173-R176 PolarHBondContact O-N 3.32Å; V173-L177 HydrophobicContact CG1-CD1 4.26Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.03Å
174I98.1Very high96.8Very high25 Ų2544.1 Ų44.113%0.12823%0.23CC..Hα-helixtrans-59.4-46.8176.6-66174.4000110.4K139 M142 V143 V170 D171 R176 L177 Q178K139-I174 HydrophobicContact CG-CG2 4.48Å; M142-I174 HydrophobicContact CB-CD1 4.32Å; M142-I174 HydrophobicContact CB-CG1 3.76Å; V143-I174 HydrophobicContact CG2-CD1 3.97Å; V143-I174 HydrophobicContact CG2-CG1 4.48Å; V143-I174 HydrophobicContact CG2-CG2 4.24Å; V170-I174 HydrophobicContact CG1-CD1 3.77Å; V170-I174 HydrophobicContact CG1-CG1 4.38Å; V170-I174 PolarHBondContact O-N 3.03Å; D171-I174 PolarHBondContact O-N 3.12Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.2Å; I174-L177 PolarHBondContact O-N 3.3Å; I174-Q178 WeakPolarHBondContact O-CB 3.29Å; I174-Q178 PolarHBondContact O-N 2.87Å
175T98.1Very high96.8Very high75 Ų7543.5 Ų43.546%0.4623%0.229SC..Hα-helixtrans-61.1-43.3178.9-59.30000111.2D171 V173 Q178 N179D171-T175 VanDerWaalsContact O-CB 3.28Å; D171-T175 WeakPolarHBondContact O-CB 3.35Å; D171-T175 PolarHBondContact O-N 3.37Å; D171-T175 PolarHBondContact O-OG1 3.24Å; V173-T175 VanDerWaalsContact C-N 3.34Å; V173-T175 PolarHBondContact O-N 2.93Å; T175-Q178 PolarHBondContact O-N 2.84Å; T175-N179 PolarHBondContact O-N 2.98Å; T175-N179 PolarHBondContact O-ND2 3.43Å
176R96.5Very high96.7Very high101 Ų10146.5 Ų46.538%0.38125%0.249SC..Hα-helixtrans-61.7-46176.5-177.1175179.8-172.8-4.9111.9P172 V173 I174 Q178 N179 L180P172-R176 VanDerWaalsContact O-CB 3.29Å; P172-R176 WeakPolarHBondContact O-CB 3.49Å; P172-R176 PolarHBondContact O-N 2.84Å; V173-R176 PolarHBondContact O-N 3.32Å; I174-R176 VanDerWaalsContact C-N 3.34Å; I174-R176 PolarHBondContact O-N 3.2Å; R176-Q178 VanDerWaalsContact C-N 3.33Å; R176-N179 PolarHBondContact O-N 3.25Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.31Å; R176-L180 WeakPolarHBondContact O-CG 3.24Å; R176-L180 PolarHBondContact O-N 3.43Å; R176-L180 VanDerWaalsContact O-N 3.1Å
177L97.3Very high96.5Very high1 Ų146 Ų461%0.00525%0.246CC..Hα-helixtrans-62.2-41.3176.5-72.8170.7000111.7I99 M102 L135 K139 M142 V173 I174 L180 L181I99-L177 HydrophobicContact CD1-CD1 4.1Å; I99-L177 HydrophobicContact CG2-CD1 4.43Å; I99-L177 HydrophobicContact CG2-CD2 3.98Å; I99-L177 HydrophobicContact CG2-CG 4.4Å; M102-L177 HydrophobicContact CE-CD2 4.44Å; L135-L177 HydrophobicContact CD2-CD2 3.95Å; K139-L177 HydrophobicContact CB-CB 4.25Å; K139-L177 HydrophobicContact CB-CD1 4.35Å; M142-L177 HydrophobicContact CG-CD1 4.24Å; V173-L177 HydrophobicContact CG1-CD1 4.26Å; V173-L177 WeakPolarHBondContact O-CG 3.24Å; V173-L177 PolarHBondContact O-N 3.03Å; I174-L177 PolarHBondContact O-N 3.3Å; L177-L180 PolarHBondContact O-N 3.44Å; L177-L181 VanDerWaalsContact O-CB 3.29Å; L177-L181 WeakPolarHBondContact O-CB 3.15Å; L177-L181 PolarHBondContact O-N 3.43Å
178Q97.7Very high96.3Very high49 Ų4943.7 Ų43.723%0.22923%0.233CC..Hα-helixtrans-61.4-49.7176.5-18057.743.200111.8I174 T175 R176 L180 L181 D182I174-Q178 WeakPolarHBondContact O-CB 3.29Å; I174-Q178 PolarHBondContact O-N 2.87Å; T175-Q178 PolarHBondContact O-N 2.84Å; R176-Q178 VanDerWaalsContact C-N 3.33Å; Q178-L180 VanDerWaalsContact C-N 3.28Å; Q178-L180 PolarHBondContact O-N 3.28Å; Q178-L181 WeakPolarHBondContact O-CB 3.34Å; Q178-L181 PolarHBondContact O-N 2.88Å; Q178-L181 VanDerWaalsContact O-N 3.1Å; Q178-D182 PolarHBondContact NE2-OD1 3.27Å; Q178-D182 PolarHBondContact NE2-OD2 3.29Å; Q178-D182 PolarHBondContact O-N 2.91Å
179N96.6Very high96.2Very high91 Ų9149 Ų4949%0.48725%0.252SS..Hα-helixtrans-60.4-39.4179.6-68.6-18.8000112.1T175 R176 S183T175-N179 PolarHBondContact O-N 2.98Å; T175-N179 PolarHBondContact O-ND2 3.43Å; R176-N179 PolarHBondContact O-N 3.25Å; N179-S183 WeakPolarHBondContact O-CB 3.45Å; N179-S183 PolarHBondContact O-N 3.26Å; N179-S183 VanDerWaalsContact O-N 3.07Å; N179-S183 PolarHBondContact O-OG 3.24Å
180L96.1Very high95.9Very high25 Ų2550.3 Ų50.313%0.13126%0.256CS..Hα-helixtrans-66.6-41.6175.1-73.1171.7000111.8L103 L113 I118 L135 R176 L177 Q178 S183 A184L103-L180 HydrophobicContact CD1-CD1 4.2Å; L103-L180 HydrophobicContact CD2-CD1 3.37Å; L103-L180 HydrophobicContact CG-CD1 4.44Å; L113-L180 HydrophobicContact CD2-CB 4.17Å; L113-L180 HydrophobicContact CD2-CD2 3.99Å; L113-L180 HydrophobicContact CG-CD2 4.2Å; I118-L180 HydrophobicContact CD1-CD2 3.83Å; L135-L180 HydrophobicContact CD1-CB 4.16Å; L135-L180 HydrophobicContact CD2-CB 4.49Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.31Å; R176-L180 WeakPolarHBondContact O-CG 3.24Å; R176-L180 PolarHBondContact O-N 3.43Å; R176-L180 VanDerWaalsContact O-N 3.1Å; L177-L180 PolarHBondContact O-N 3.44Å; Q178-L180 VanDerWaalsContact C-N 3.28Å; Q178-L180 PolarHBondContact O-N 3.28Å; L180-S183 PolarHBondContact O-N 3.25Å; L180-A184 VanDerWaalsContact O-CB 3.26Å; L180-A184 WeakPolarHBondContact O-CB 3.26Å; L180-A184 PolarHBondContact O-N 2.81Å
181L96.7Very high95.5Very high20 Ų2056.6 Ų56.611%0.10529%0.294CS..Hα-helixtrans-63-42.5176.7177.961.2000111.8I132 L135 V136 K139 L177 Q178 A184 T185I132-L181 HydrophobicContact CB-CD1 4.46Å; I132-L181 HydrophobicContact CG1-CD1 4.33Å; I132-L181 HydrophobicContact CG2-CD1 3.84Å; L135-L181 HydrophobicContact CB-CD1 4.37Å; V136-L181 HydrophobicContact CG2-CD1 3.7Å; V136-L181 HydrophobicContact CG2-CD2 3.84Å; V136-L181 HydrophobicContact CG2-CG 4.45Å; K139-L181 HydrophobicContact CD-CD2 4.45Å; L177-L181 VanDerWaalsContact O-CB 3.29Å; L177-L181 WeakPolarHBondContact O-CB 3.15Å; L177-L181 PolarHBondContact O-N 3.43Å; Q178-L181 WeakPolarHBondContact O-CB 3.34Å; Q178-L181 PolarHBondContact O-N 2.88Å; Q178-L181 VanDerWaalsContact O-N 3.1Å; L181-A184 PolarHBondContact O-N 3.33Å; L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.28Å; L181-T185 PolarHBondContact O-N 3.22Å; L181-T185 PolarHBondContact O-OG1 2.86Å
182D96.7Very high95.1Very high76 Ų7661.6 Ų61.641%0.40632%0.316SS..Hα-helixtrans-64.5-43177.3-69.2-30.2000111.4Q178 T185 T186Q178-D182 PolarHBondContact NE2-OD1 3.27Å; Q178-D182 PolarHBondContact NE2-OD2 3.29Å; Q178-D182 PolarHBondContact O-N 2.91Å; D182-T185 PolarHBondContact O-N 3.37Å; D182-T186 WeakPolarHBondContact O-CB 3.22Å; D182-T186 PolarHBondContact O-N 2.92Å; D182-T186 PolarHBondContact O-OG1 3.12Å
183S95.3Very high94.7Very high24 Ų2462.3 Ų62.317%0.16831%0.312CS..Hα-helixtrans-63-47.3175.2-570000111.3N179 L180 T185 T186 I187N179-S183 WeakPolarHBondContact O-CB 3.45Å; N179-S183 PolarHBondContact O-N 3.26Å; N179-S183 VanDerWaalsContact O-N 3.07Å; N179-S183 PolarHBondContact O-OG 3.24Å; L180-S183 PolarHBondContact O-N 3.25Å; S183-T185 VanDerWaalsContact C-N 3.34Å; S183-T185 PolarHBondContact O-N 3.05Å; S183-T186 WeakPolarHBondContact O-CB 3.46Å; S183-T186 PolarHBondContact O-N 2.59Å; S183-I187 VanDerWaalsContact O-CG1 3.29Å; S183-I187 WeakPolarHBondContact O-CG1 3.4Å; S183-I187 PolarHBondContact O-N 2.99Å
184A95.6Very high94.2Very high0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-61.6-41.8178.400000111.9L113 M128 I132 L135 L180 L181 I187 Q188L113-A184 HydrophobicContact CD1-CB 3.95Å; L113-A184 HydrophobicContact CD2-CB 4.38Å; M128-A184 HydrophobicContact SD-CB 3.71Å; I132-A184 HydrophobicContact CD1-CB 4.15Å; I132-A184 HydrophobicContact CG1-CB 3.74Å; L135-A184 HydrophobicContact CD1-CB 4.35Å; L180-A184 VanDerWaalsContact O-CB 3.26Å; L180-A184 WeakPolarHBondContact O-CB 3.26Å; L180-A184 PolarHBondContact O-N 2.81Å; L181-A184 PolarHBondContact O-N 3.33Å; A184-I187 PolarHBondContact O-N 3.02Å; A184-Q188 WeakPolarHBondContact O-CB 3.32Å; A184-Q188 PolarHBondContact O-N 2.96Å
185T95.4Very high93.7Very high35 Ų3568.6 Ų68.622%0.21535%0.352CS..Hα-helixtrans-66-39.1177.3-58.40000111.7L181 D182 S183 Q188 K189L181-T185 VanDerWaalsContact O-CB 3.31Å; L181-T185 WeakPolarHBondContact O-CB 3.28Å; L181-T185 PolarHBondContact O-N 3.22Å; L181-T185 PolarHBondContact O-OG1 2.86Å; D182-T185 PolarHBondContact O-N 3.37Å; S183-T185 VanDerWaalsContact C-N 3.34Å; S183-T185 PolarHBondContact O-N 3.05Å; T185-Q188 PolarHBondContact O-N 2.72Å; T185-K189 HydrophobicContact CG2-CD 4.39Å; T185-K189 WeakPolarHBondContact O-CG 3.41Å; T185-K189 PolarHBondContact O-N 3.28Å
186T94Very high93.3Very high76 Ų7672.6 Ų72.647%0.46636%0.359SS..Hα-helixtrans-63-45.5175.8-60.30000110.8D182 S183 K189D182-T186 WeakPolarHBondContact O-CB 3.22Å; D182-T186 PolarHBondContact O-N 2.92Å; D182-T186 PolarHBondContact O-OG1 3.12Å; S183-T186 WeakPolarHBondContact O-CB 3.46Å; S183-T186 PolarHBondContact O-N 2.59Å; T186-K189 PolarHBondContact O-N 3.48Å
187I93.3Very high93Very high0 Ų074 Ų740%038%0.381CS..Hα-helixtrans-64.8-42.4177.1-69.6168.3000111.5L113 A117 S123 M128 S183 A184 K189 R190L113-I187 HydrophobicContact CD1-CD1 4.34Å; A117-I187 WeakPolarHBondContact O-CD1 3.42Å; S123-I187 VanDerWaalsContact CB-CG2 3.4Å; M128-I187 HydrophobicContact CG-CB 4.2Å; M128-I187 HydrophobicContact CG-CG2 3.7Å; M128-I187 HydrophobicContact SD-CB 4.19Å; M128-I187 HydrophobicContact SD-CG2 3.95Å; S183-I187 VanDerWaalsContact O-CG1 3.29Å; S183-I187 WeakPolarHBondContact O-CG1 3.4Å; S183-I187 PolarHBondContact O-N 2.99Å; A184-I187 PolarHBondContact O-N 3.02Å; I187-K189 VanDerWaalsContact C-N 3.28Å; I187-K189 PolarHBondContact O-N 2.72Å; I187-R190 WeakPolarHBondContact O-CB 3.44Å; I187-R190 PolarHBondContact O-N 3.48Å; I187-R190 VanDerWaalsContact O-N 3.12Å
188Q93.6Very high92.5Very high65 Ų6576 Ų7630%0.30439%0.39SS..Hα-helixtrans-58.9-38.1-179.6-173.7-169.647.900112.5M128 N129 I132 A184 T185 R190M128-Q188 HydrophobicContact CB-CB 3.83Å; M128-Q188 HydrophobicContact CB-CG 4.16Å; M128-Q188 HydrophobicContact CG-CB 4.26Å; N129-Q188 PolarHBondContact OD1-NE2 3.32Å; I132-Q188 HydrophobicContact CD1-CB 4.12Å; I132-Q188 HydrophobicContact CD1-CG 4.34Å; A184-Q188 WeakPolarHBondContact O-CB 3.32Å; A184-Q188 PolarHBondContact O-N 2.96Å; T185-Q188 PolarHBondContact O-N 2.72Å; Q188-R190 VanDerWaalsContact C-N 3.28Å; Q188-R190 PolarHBondContact O-N 3.12Å
189K92.9Very high92.1Very high160 Ų16080.4 Ų80.470%0.69641%0.414SS*.THydrogen-bonded Turntrans-78.7-11.2-179.3-68.8173.8-177.2175.20113.4T185 T186 I187T185-K189 HydrophobicContact CG2-CD 4.39Å; T185-K189 WeakPolarHBondContact O-CG 3.41Å; T185-K189 PolarHBondContact O-N 3.28Å; T186-K189 PolarHBondContact O-N 3.48Å; I187-K189 VanDerWaalsContact C-N 3.28Å; I187-K189 PolarHBondContact O-N 2.72Å
190R90.2Very high91.7Very high91 Ų9180.7 Ų80.734%0.34342%0.415SS..  trans-82.8133.7-173-162.1173.9-174.3172.14.6111.2H120 N121 I187 Q188 E192 F193H120-R190 PolarHBondContact O-NH1 3.24Å; N121-R190 WeakPolarHBondContact O-CD 3.41Å; N121-R190 PolarHBondContact O-NH1 3.49Å; I187-R190 WeakPolarHBondContact O-CB 3.44Å; I187-R190 PolarHBondContact O-N 3.48Å; I187-R190 VanDerWaalsContact O-N 3.12Å; Q188-R190 VanDerWaalsContact C-N 3.28Å; Q188-R190 PolarHBondContact O-N 3.12Å; R190-E192 WeakPolarHBondContact CD-O 3.4Å; R190-E192 VanDerWaalsContact CG-O 3.3Å; R190-E192 WeakPolarHBondContact CG-O 3.3Å; R190-E192 PolarHBondContact NE-O 3.19Å; R190-F193 HydrophobicContact CB-CE1 4.29Å; R190-F193 HydrophobicContact CG-CE1 4.33Å
191V88.3Confident91.2Very high133 Ų13388.3 Ų88.381%0.80645%0.447SS*.  trans-105.7-31.9179-175.40000111.6
192E89.8Confident90.7Very high160 Ų16095.1 Ų95.175%0.74847%0.471SS*.  trans-110.3134.1-176.9-64.5179.6-176.700111.7R190R190-E192 WeakPolarHBondContact CD-O 3.4Å; R190-E192 VanDerWaalsContact CG-O 3.3Å; R190-E192 WeakPolarHBondContact CG-O 3.3Å; R190-E192 PolarHBondContact NE-O 3.19Å
193F89.4Confident90Very high83 Ų8398.6 Ų98.636%0.36450%0.495SS..  trans-120.3149.4-176.7-58.6-76.3000111.4M122 S123 P125 R190 V195M122-F193 HydrophobicContact CB-CD1 3.93Å; S123-F193 WeakPolarHBondContact O-CE1 3.33Å; S123-F193 WeakPolarHBondContact O-CZ 3.48Å; P125-F193 HydrophobicContact CG-CZ 4.29Å; R190-F193 HydrophobicContact CB-CE1 4.29Å; R190-F193 HydrophobicContact CG-CE1 4.33Å; F193-V195 PolarHBondContact O-N 3.5Å
194P87.5Confident89.4Confident45 Ų45102 Ų10229%0.29252%0.515SS..PPolyproline II helixtrans-62136.9176.126.5-34000110.8M122 F198M122-P194 HydrophobicContact SD-CG 4.35Å; P194-F198 HydrophobicContact CB-CD1 4.16Å; P194-F198 HydrophobicContact CG-CD1 4.17Å; P194-F198 HydrophobicContact CG-CE1 4.29Å
195V87.9Confident88.7Confident130 Ų130107 Ų10779%0.78854%0.541SS*.PPolyproline II helixtrans-67.9135.7173.7-177.70000109F193F193-V195 PolarHBondContact O-N 3.5Å
196R89Confident87.7Confident160 Ų160111.7 Ų111.760%0.60456%0.563SS**SBendtrans-82.4146.9172.6-71-179.3178.9-95.35.1110.2F198R196-F198 HydrophobicContact CG-CD1 4.02Å; R196-F198 HydrophobicContact CG-CE1 3.64Å
197P90Very high87Confident131 Ų131114 Ų11485%0.85158%0.577SS**SBendcis-81.2148.7-3.933.4-34.1000112.3
198F87.1Confident85.4Confident41 Ų41128 Ų12818%0.1863%0.63CS.*  trans-121.5159.5171.747.6-103.9000109.9H120 M122 P194 R196 I200H120-F198 HydrophobicContact CB-CE2 4.43Å; H120-F198 HydrophobicContact CB-CZ 4.45Å; H120-F198 AromaticContact CD2-CE2 3.5Å; H120-F198 AromaticContact CE1-CD2 3.34Å; H120-F198 WeakPolarHBondContact CE1-CD2 3.4Å; H120-F198 AromaticContact CE1-CE2 3.44Å; H120-F198 VanDerWaalsContact CE1-CE2 3.44Å; H120-F198 WeakPolarHBondContact CE1-CE2 3.45Å; H120-F198 AromaticContact CG-CE2 3.57Å; H120-F198 AromaticContact ND1-CD2 3.52Å; H120-F198 AromaticContact ND1-CE2 3.54Å; H120-F198 AromaticContact NE2-CD2 3.76Å; H120-F198 AromaticContact NE2-CE2 3.4Å; H120-F198 WeakPolarHBondContact NE2-CE2 3.43Å; M122-F198 HydrophobicContact CE-CE1 4.3Å; M122-F198 HydrophobicContact CE-CZ 4.44Å; M122-F198 HydrophobicContact SD-CE1 3.46Å; M122-F198 WeakPolarHBondContact SD-CE1 3.44Å; M122-F198 HydrophobicContact SD-CZ 3.37Å; M122-F198 WeakPolarHBondContact SD-CZ 3.23Å; P194-F198 HydrophobicContact CB-CD1 4.16Å; P194-F198 HydrophobicContact CG-CD1 4.17Å; P194-F198 HydrophobicContact CG-CE1 4.29Å; R196-F198 HydrophobicContact CG-CD1 4.02Å; R196-F198 HydrophobicContact CG-CE1 3.64Å; F198-I200 HydrophobicContact CD2-CG1 4.05Å; F198-I200 HydrophobicContact CE2-CD1 4.33Å; F198-I200 HydrophobicContact CE2-CG1 3.92Å; F198-I200 PolarHBondContact O-N 3.09Å
199L88.3Confident85Confident143 Ų143131.2 Ų131.275%0.74965%0.646SS**PPolyproline II helixtrans-68.1123.8178.6-177.767.4000110.5H120H120-L199 PolarHBondContact CE1-O 3.08Å
200I88.9Confident84.6Confident96 Ų96129.7 Ų129.749%0.49264%0.644SS.*PPolyproline II helixtrans-102.9116.1175-59.1175.2000108.4F198F198-I200 HydrophobicContact CD2-CG1 4.05Å; F198-I200 HydrophobicContact CE2-CD1 4.33Å; F198-I200 HydrophobicContact CE2-CG1 3.92Å; F198-I200 PolarHBondContact O-N 3.09Å
201K85.1Confident84.3Confident185 Ų185131.8 Ų131.880%0.80466%0.66SS**PPolyproline II helixtrans-85.7119.6172.9-65.4-177.4-178178.70108.8
202R86.1Confident84.1Confident163 Ų163131.8 Ų131.862%0.61565%0.652SS**PPolyproline II helixtrans-92.1140.7175-62-177.467.8-159.5-2109.4V204 M206R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 PolarHBondContact O-N 3.45Å; R202-M206 PolarHBondContact NH1-SD 3.46Å
203T82.3Confident83.7Confident150 Ų150130 Ų13092%0.9265%0.646SS**SBendtrans-70.1-26.5176.6-41.10000112.6D205T203-D205 PolarHBondContact O-N 3.47Å
204V83.5Confident83.3Confident96 Ų96133.1 Ų133.158%0.58267%0.665SS**SBendtrans-79.1111.1176.9-177.40000108.7R202 M206R202-V204 VanDerWaalsContact C-N 3.28Å; R202-V204 PolarHBondContact O-N 3.45Å; V204-M206 PolarHBondContact O-N 3.28Å
205D80.1Confident83Confident103 Ų103139.4 Ų139.455%0.55169%0.691SS**  trans-68.5113.9167.6-173.13.4000109.1T203 T207T203-D205 PolarHBondContact O-N 3.47Å; D205-T207 VanDerWaalsContact C-N 3.32Å; D205-T207 WeakPolarHBondContact OD1-CB 3.23Å; D205-T207 PolarHBondContact OD1-N 3.41Å; D205-T207 PolarHBondContact OD1-OG1 3.19Å; D205-T207 PolarHBondContact OD2-OG1 3.1Å
206M75.2Confident82.7Confident134 Ų134140.2 Ų140.266%0.6668%0.684SS**  trans-91.77177.1-60.4-170.6-58.400112.4R202 V204R202-M206 PolarHBondContact NH1-SD 3.46Å; V204-M206 PolarHBondContact O-N 3.28Å
207T77.7Confident82.1Confident125 Ų125138.5 Ų138.577%0.76769%0.69SS**  trans-9514.2-177.664.50000114.5D205D205-T207 VanDerWaalsContact C-N 3.32Å; D205-T207 WeakPolarHBondContact OD1-CB 3.23Å; D205-T207 PolarHBondContact OD1-N 3.41Å; D205-T207 PolarHBondContact OD1-OG1 3.19Å; D205-T207 PolarHBondContact OD2-OG1 3.1Å
208R61.3Low81.4Confident295 Ų295139.2 Ų139.2100%1.11368%0.676SS**  trans-102.60165-84.3-174.1170.6-177.8-1.8111.1

Retrieved 208 of 208 residues in 98.3 ms (Link to these results)

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