A0A3Q0KSR1_SCHMA Loading...

XPGN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSR1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 784 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
1M72.5Confident86.3Confident117 Ų11768.8 Ų68.858%0.57635%0.352SS*.  0-165.80-70.9-98.4-79.300106.4D169 S170M1-D169 WeakPolarHBondContact CA-OD2 3.09Å; M1-D169 HydrophobicContact CB-CB 4.28Å; M1-D169 WeakPolarHBondContact CB-OD2 3.33Å; M1-S170 PolarHBondContact O-OG 2.84Å
2G79.5Confident86.9Confident32 Ų3270.6 Ų70.633%0.3338%0.375SS..  trans63.2-157.9179.900000119.4R4 D169 S170 D171G2-R4 PolarHBondContact O-N 3.28Å; G2-D169 WeakPolarHBondContact CA-OD1 2.96Å; G2-D169 PolarHBondContact N-OD1 2.77Å; G2-D169 VanDerWaalsContact N-OD1 3.15Å; G2-D169 PolarHBondContact N-OD2 3.2Å; G2-S170 VanDerWaalsContact C-OG 3.27Å; G2-S170 WeakPolarHBondContact CA-OG 3.46Å; G2-D171 WeakPolarHBondContact CA-OD1 3.46Å
3V81.1Confident87.4Confident5 Ų567.5 Ų67.53%0.0336%0.359CS..SBendtrans-40.3115.4174.8-150.40000113.6G5 L6 S170 D171 I174 L242 I244V3-G5 PolarHBondContact O-N 3.07Å; V3-L6 HydrophobicContact CB-CB 3.7Å; V3-L6 HydrophobicContact CB-CD2 3.94Å; V3-L6 HydrophobicContact CB-CG 4.49Å; V3-L6 HydrophobicContact CG1-CB 4.04Å; V3-L6 HydrophobicContact CG1-CD2 4.38Å; V3-L6 HydrophobicContact CG2-CB 4.28Å; V3-L6 HydrophobicContact CG2-CD2 3.56Å; V3-L6 PolarHBondContact O-N 3.31Å; V3-S170 WeakPolarHBondContact CA-OG 3.29Å; V3-S170 WeakPolarHBondContact CB-OG 3.4Å; V3-S170 PolarHBondContact N-OG 3.31Å; V3-S170 PolarHBondContact O-OG 3.2Å; V3-D171 WeakPolarHBondContact CG2-OD1 2.78Å; V3-D171 PolarHBondContact N-OD1 2.85Å; V3-I174 HydrophobicContact CG2-CD1 3.87Å; V3-L242 HydrophobicContact CG1-CB 3.44Å; V3-L242 VanDerWaalsContact CG1-CB 3.44Å; V3-L242 HydrophobicContact CG1-CD1 3.82Å; V3-L242 HydrophobicContact CG1-CG 4.3Å; V3-I244 HydrophobicContact CB-CD1 4.37Å; V3-I244 HydrophobicContact CB-CG1 4.37Å; V3-I244 HydrophobicContact CG1-CD1 4.48Å; V3-I244 HydrophobicContact CG1-CG1 4.21Å; V3-I244 HydrophobicContact CG2-CD1 3.54Å; V3-I244 HydrophobicContact CG2-CG1 4.07Å
4R81.5Confident87.8Confident230 Ų23069.9 Ų69.987%0.86838%0.38SS*.THydrogen-bonded Turntrans-64.4112.5-178.5-173.2179.7-179.3-171.1-0.5111.8G2G2-R4 PolarHBondContact O-N 3.28Å
5G85.6Confident88.3Confident39 Ų3976.5 Ų76.540%0.40240%0.397SS..THydrogen-bonded Turntrans89.3-5.8172.300000115.2V3 T8 Y9V3-G5 PolarHBondContact O-N 3.07Å; G5-T8 PolarHBondContact O-N 3.07Å; G5-Y9 PolarHBondContact O-N 2.69Å
6L89.3Confident88.8Confident2 Ų271.9 Ų71.91%0.0137%0.373CS..Hα-helixtrans-61.7-45.8178.3178.960.2000111.8V3 T8 Y9 L10 Y173 I174 L242V3-L6 HydrophobicContact CB-CB 3.7Å; V3-L6 HydrophobicContact CB-CD2 3.94Å; V3-L6 HydrophobicContact CB-CG 4.49Å; V3-L6 HydrophobicContact CG1-CB 4.04Å; V3-L6 HydrophobicContact CG1-CD2 4.38Å; V3-L6 HydrophobicContact CG2-CB 4.28Å; V3-L6 HydrophobicContact CG2-CD2 3.56Å; V3-L6 PolarHBondContact O-N 3.31Å; L6-T8 VanDerWaalsContact C-N 3.35Å; L6-T8 PolarHBondContact O-N 3.43Å; L6-Y9 HydrophobicContact CD1-CD1 4.39Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 3.2Å; L6-L10 HydrophobicContact CD1-CD1 3.95Å; L6-L10 HydrophobicContact CD1-CG 4.06Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.18Å; L6-L10 PolarHBondContact O-N 2.93Å; L6-Y173 HydrophobicContact CG-CD2 4.49Å; L6-I174 HydrophobicContact CD2-CD1 4.41Å; L6-I174 HydrophobicContact CD2-CG1 4.48Å; L6-I174 HydrophobicContact CD2-CG2 3.97Å; L6-L242 HydrophobicContact CD1-CD1 4.45Å
7T90.9Very high89.2Confident32 Ų3268.5 Ų68.520%0.19636%0.355CS..Hα-helixtrans-55-50.1173.8-55.40000111.1Y9 L10 Q11 S170 Y173T7-Y9 VanDerWaalsContact C-N 3.31Å; T7-Y9 PolarHBondContact O-N 2.97Å; T7-L10 PolarHBondContact O-N 3.33Å; T7-Q11 HydrophobicContact CG2-CG 4.1Å; T7-Q11 VanDerWaalsContact O-CB 3.3Å; T7-Q11 WeakPolarHBondContact O-CB 3.28Å; T7-Q11 WeakPolarHBondContact O-CG 3.41Å; T7-Q11 PolarHBondContact O-N 3.32Å; T7-S170 WeakPolarHBondContact OG1-CB 3.38Å; T7-Y173 HydrophobicContact CG2-CE2 4.28Å
8T91.6Very high89.6Confident104 Ų10468.1 Ų68.164%0.63836%0.356SS*.Hα-helixtrans-62.4-36.1179.4-48.70000112.7G5 L6 S12G5-T8 PolarHBondContact O-N 3.07Å; L6-T8 VanDerWaalsContact C-N 3.35Å; L6-T8 PolarHBondContact O-N 3.43Å; T8-S12 PolarHBondContact O-N 3.16Å
9Y92.2Very high89.9Confident127 Ų12771.2 Ų71.250%0.49837%0.368SS..Hα-helixtrans-64.5-50.5174170.6-104.2000111.6G5 L6 T7 Q11 S12G5-Y9 PolarHBondContact O-N 2.69Å; L6-Y9 HydrophobicContact CD1-CD1 4.39Å; L6-Y9 WeakPolarHBondContact O-CB 3.47Å; L6-Y9 PolarHBondContact O-N 3.2Å; T7-Y9 VanDerWaalsContact C-N 3.31Å; T7-Y9 PolarHBondContact O-N 2.97Å; Y9-Q11 PolarHBondContact O-N 3.03Å; Y9-S12 WeakPolarHBondContact O-CB 3.29Å; Y9-S12 PolarHBondContact O-N 3.2Å; Y9-S12 VanDerWaalsContact O-N 3.15Å; Y9-S12 PolarHBondContact O-OG 2.93Å
10L93Very high90.1Very high0 Ų071.1 Ų71.10%036%0.363CS..Hα-helixtrans-66.2-39.4-179.6-64.3173.6000111.9L6 T7 S12 D13 N16 F17 Y173 F220 L227L6-L10 HydrophobicContact CD1-CD1 3.95Å; L6-L10 HydrophobicContact CD1-CG 4.06Å; L6-L10 HydrophobicContact CG-CD1 4Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.18Å; L6-L10 PolarHBondContact O-N 2.93Å; T7-L10 PolarHBondContact O-N 3.33Å; L10-S12 PolarHBondContact O-N 3.32Å; L10-D13 PolarHBondContact O-N 3.46Å; L10-N16 PolarHBondContact O-ND2 3.28Å; L10-F17 HydrophobicContact CB-CZ 4.35Å; L10-Y173 HydrophobicContact CD1-CD1 3.52Å; L10-Y173 HydrophobicContact CD1-CD2 3.67Å; L10-Y173 HydrophobicContact CD1-CE1 3.99Å; L10-Y173 HydrophobicContact CD1-CE2 4.16Å; L10-Y173 HydrophobicContact CD1-CG 3.35Å; L10-F220 HydrophobicContact CD1-CE2 3.97Å; L10-F220 HydrophobicContact CD1-CZ 4.16Å; L10-F220 HydrophobicContact CD2-CE2 4.33Å; L10-L227 HydrophobicContact CD2-CD2 4.44Å; L10-L227 HydrophobicContact CD2-CG 4.05Å
11Q92Very high90.3Very high69 Ų6972.3 Ų72.332%0.32237%0.368SS..Hα-helixtrans-67.7-14.5175.5-67.6-177.5-29.600113.9T7 Y9 D13 F17 Y190T7-Q11 HydrophobicContact CG2-CG 4.1Å; T7-Q11 VanDerWaalsContact O-CB 3.3Å; T7-Q11 WeakPolarHBondContact O-CB 3.28Å; T7-Q11 WeakPolarHBondContact O-CG 3.41Å; T7-Q11 PolarHBondContact O-N 3.32Å; Y9-Q11 PolarHBondContact O-N 3.03Å; Q11-D13 PolarHBondContact O-N 3.4Å; Q11-F17 HydrophobicContact CG-CE2 4.24Å; Q11-F17 HydrophobicContact CG-CZ 4.25Å; Q11-Y190 VanDerWaalsContact CG-OH 3.25Å; Q11-Y190 WeakPolarHBondContact CG-OH 3.43Å; Q11-Y190 PolarHBondContact NE2-OH 2.98Å
12S93.3Very high91.4Very high90 Ų9066.8 Ų66.863%0.62934%0.34SS*.THydrogen-bonded Turntrans-70.2-19.1177.376.90000113.8T8 Y9 L10T8-S12 PolarHBondContact O-N 3.16Å; Y9-S12 WeakPolarHBondContact O-CB 3.29Å; Y9-S12 PolarHBondContact O-N 3.2Å; Y9-S12 VanDerWaalsContact O-N 3.15Å; Y9-S12 PolarHBondContact O-OG 2.93Å; L10-S12 PolarHBondContact O-N 3.32Å
13D94.2Very high92.1Very high31 Ų3167.5 Ų67.517%0.16634%0.335CS..SBendtrans-123.8107.4172.7-173.5-12.3000109.6L10 Q11 R15 N16 P225L10-D13 PolarHBondContact O-N 3.46Å; Q11-D13 PolarHBondContact O-N 3.4Å; D13-R15 PolarHBondContact O-N 2.83Å; D13-R15 VanDerWaalsContact OD1-CB 3.28Å; D13-R15 WeakPolarHBondContact OD1-CB 3.31Å; D13-R15 WeakPolarHBondContact OD1-CG 3.33Å; D13-R15 IonicContact OD1-CZ 3.32Å; D13-R15 PolarHBondContact OD1-N 3.26Å; D13-R15 VanDerWaalsContact OD1-N 3.11Å; D13-R15 IonicContact OD1-NE 3.17Å; D13-R15 PolarHBondContact OD1-NE 3.05Å; D13-R15 IonicContact OD1-NH2 2.67Å; D13-R15 IonicContact OD2-CZ 2.68Å; D13-R15 VanDerWaalsContact OD2-CZ 3.32Å; D13-R15 IonicContact OD2-NE 3.74Å; D13-R15 PolarHBondContact OD2-NE 3.2Å; D13-R15 VanDerWaalsContact OD2-NE 3.17Å; D13-R15 IonicContact OD2-NH2 3.73Å; D13-R15 PolarHBondContact OD2-NH2 3.37Å; D13-N16 WeakPolarHBondContact O-CB 3.27Å; D13-N16 PolarHBondContact O-N 3.49Å; D13-N16 PolarHBondContact O-ND2 3.02Å; D13-P225 WeakPolarHBondContact OD2-CG 3.48Å
14P93.3Very high92.7Very high101 Ų10168.7 Ų68.766%0.65634%0.341SS*.G310 helixtrans-63-17.2-175.826.6-35.1000113N16 F17P14-N16 PolarHBondContact O-N 2.89Å; P14-F17 PolarHBondContact O-N 2.89Å; P14-F17 VanDerWaalsContact O-O 3.12Å
15R95.5Very high93.3Very high169 Ų16959.6 Ų59.664%0.63831%0.311SS*.G310 helixtrans-69.5-6.5175.6-57.1174.2-64.31772.8113.5D13 F17 P225D13-R15 PolarHBondContact O-N 2.83Å; D13-R15 VanDerWaalsContact OD1-CB 3.28Å; D13-R15 WeakPolarHBondContact OD1-CB 3.31Å; D13-R15 WeakPolarHBondContact OD1-CG 3.33Å; D13-R15 IonicContact OD1-CZ 3.32Å; D13-R15 PolarHBondContact OD1-N 3.26Å; D13-R15 VanDerWaalsContact OD1-N 3.11Å; D13-R15 IonicContact OD1-NE 3.17Å; D13-R15 PolarHBondContact OD1-NE 3.05Å; D13-R15 IonicContact OD1-NH2 2.67Å; D13-R15 IonicContact OD2-CZ 2.68Å; D13-R15 VanDerWaalsContact OD2-CZ 3.32Å; D13-R15 IonicContact OD2-NE 3.74Å; D13-R15 PolarHBondContact OD2-NE 3.2Å; D13-R15 VanDerWaalsContact OD2-NE 3.17Å; D13-R15 IonicContact OD2-NH2 3.73Å; D13-R15 PolarHBondContact OD2-NH2 3.37Å; R15-F17 PolarHBondContact O-N 3.38Å; R15-P225 HydrophobicContact CB-CG 3.82Å; R15-P225 WeakPolarHBondContact O-CD 3.44Å
16N94.9Very high93.8Very high2 Ų259.9 Ų59.91%0.01131%0.306CS..G310 helixtrans-73.1-6.8166.3-71-43.7000112.9L10 D13 P14 F220 L221 G224 P225 G226L10-N16 PolarHBondContact O-ND2 3.28Å; D13-N16 WeakPolarHBondContact O-CB 3.27Å; D13-N16 PolarHBondContact O-N 3.49Å; D13-N16 PolarHBondContact O-ND2 3.02Å; P14-N16 PolarHBondContact O-N 2.89Å; N16-F220 HydrophobicContact CB-CE2 4.29Å; N16-F220 VanDerWaalsContact O-CD2 3.29Å; N16-F220 WeakPolarHBondContact O-CD2 3.46Å; N16-L221 PolarHBondContact O-N 3.24Å; N16-G224 VanDerWaalsContact OD1-C 3.23Å; N16-P225 WeakPolarHBondContact OD1-CD 3.39Å; N16-P225 VanDerWaalsContact OD1-N 3.12Å; N16-G226 PolarHBondContact OD1-N 2.93Å
17F96.1Very high94.2Very high14 Ų1459.8 Ų59.86%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-132.1153.7-176.9-55.9-85.6000110.7L10 Q11 P14 R15 Y173 P187 Y190 Q218 K219 F220L10-F17 HydrophobicContact CB-CZ 4.35Å; Q11-F17 HydrophobicContact CG-CE2 4.24Å; Q11-F17 HydrophobicContact CG-CZ 4.25Å; P14-F17 PolarHBondContact O-N 2.89Å; P14-F17 VanDerWaalsContact O-O 3.12Å; R15-F17 PolarHBondContact O-N 3.38Å; F17-Y173 AromaticContact CE1-CE1 3.85Å; F17-Y173 HydrophobicContact CE1-CE1 3.85Å; F17-Y173 HydrophobicContact CZ-CE1 4Å; F17-P187 HydrophobicContact CD1-CG 4.33Å; F17-P187 HydrophobicContact CE1-CG 3.78Å; F17-Y190 AromaticContact CD1-CD2 3.97Å; F17-Y190 HydrophobicContact CD1-CD2 3.97Å; F17-Y190 AromaticContact CD1-CE2 3.72Å; F17-Y190 HydrophobicContact CD1-CE2 3.72Å; F17-Y190 HydrophobicContact CD2-CE2 4.07Å; F17-Y190 HydrophobicContact CE1-CD2 4.14Å; F17-Y190 AromaticContact CE1-CE2 3.73Å; F17-Y190 HydrophobicContact CE1-CE2 3.73Å; F17-Y190 HydrophobicContact CE2-CE2 4.09Å; F17-Y190 HydrophobicContact CG-CD2 4.44Å; F17-Y190 AromaticContact CG-CE2 3.9Å; F17-Y190 HydrophobicContact CG-CE2 3.9Å; F17-Y190 AromaticContact CZ-CE2 3.93Å; F17-Y190 HydrophobicContact CZ-CE2 3.93Å; F17-Q218 HydrophobicContact CB-CB 4.22Å; F17-K219 WeakPolarHBondContact CA-O 3.45Å; F17-F220 HydrophobicContact CD1-CB 4.22Å; F17-F220 HydrophobicContact CD1-CD2 4.28Å; F17-F220 HydrophobicContact CE1-CB 4.09Å; F17-F220 AromaticContact CE1-CD2 3.82Å; F17-F220 HydrophobicContact CE1-CD2 3.82Å; F17-F220 HydrophobicContact CE1-CG 4.43Å; F17-F220 HydrophobicContact CZ-CD2 4.17Å
18V96.1Very high94.6Very high61 Ų6158.3 Ų58.337%0.3730%0.296SS..EExtended strand (participates in β ladder)trans-130.5145.317366.40000109.2Q218 K219 L221V18-Q218 CarbonylContact O-C 3.53Å; V18-Q218 VanDerWaalsContact O-CA 3.25Å; V18-Q218 WeakPolarHBondContact O-CA 3.25Å; V18-K219 HydrophobicContact CG1-CB 4.05Å; V18-K219 PolarHBondContact N-O 2.92Å; V18-K219 PolarHBondContact O-N 3.42Å; V18-L221 HydrophobicContact CB-CD1 4.27Å; V18-L221 HydrophobicContact CB-CD2 4.24Å; V18-L221 HydrophobicContact CB-CG 4.34Å; V18-L221 HydrophobicContact CG1-CD2 3.73Å; V18-L221 HydrophobicContact CG1-CG 4.22Å
19E95.9Very high94.9Very high127 Ų12753.4 Ų53.459%0.59327%0.266SS*.EExtended strand (participates in β ladder)trans-60140.7172-61-153.7151.800110.5K216E19-K216 VanDerWaalsContact CD-CE 3.47Å; E19-K216 WeakPolarHBondContact OE1-CE 3.48Å; E19-K216 IonicContact OE1-NZ 2.99Å; E19-K216 PolarHBondContact OE1-NZ 3.45Å; E19-K216 WeakPolarHBondContact OE2-CE 3.15Å; E19-K216 IonicContact OE2-NZ 2.97Å; E19-K216 PolarHBondContact OE2-NZ 3.44Å
20Y94.2Very high95.1Very high69 Ų6947.6 Ų47.627%0.27124%0.243SC..EExtended strand (participates in β ladder)trans-140.4136.1-179-172.3-107000109.2L22 L186 C217 K219Y20-L22 HydrophobicContact CD1-CB 4.26Å; Y20-L22 HydrophobicContact CE1-CB 4.2Å; Y20-L22 HydrophobicContact CE1-CD1 3.88Å; Y20-L186 HydrophobicContact CD1-CD1 4.22Å; Y20-L186 HydrophobicContact CD1-CD2 3.82Å; Y20-L186 HydrophobicContact CE1-CD1 4.2Å; Y20-L186 HydrophobicContact CE1-CD2 4.29Å; Y20-L186 HydrophobicContact CG-CD2 4.38Å; Y20-C217 PolarHBondContact N-O 2.93Å; Y20-C217 PolarHBondContact O-N 3.31Å; Y20-C217 VanDerWaalsContact O-O 3.14Å; Y20-C217 PolarHBondContact O-SG 3.08Å; Y20-K219 HydrophobicContact CD2-CD 4.33Å; Y20-K219 HydrophobicContact CG-CB 4.19Å
21Q94.7Very high95.3Very high98 Ų9847.6 Ų47.646%0.45824%0.243SC..EExtended strand (participates in β ladder)trans-102.3105.5176.5-63.6-174.3-10.500107.5Y214Q21-Y214 HydrophobicContact CB-CD2 3.62Å; Q21-Y214 HydrophobicContact CB-CE2 4.21Å; Q21-Y214 HydrophobicContact CB-CG 3.98Å; Q21-Y214 HydrophobicContact CG-CD2 3.6Å; Q21-Y214 HydrophobicContact CG-CE2 3.64Å; Q21-Y214 HydrophobicContact CG-CG 4.24Å
22L95.2Very high95.4Very high0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-87.8114-177.6-178.869.2000109.7Y20 T25 V27 I71 P164 I166 L186 Y214 L215Y20-L22 HydrophobicContact CD1-CB 4.26Å; Y20-L22 HydrophobicContact CE1-CB 4.2Å; Y20-L22 HydrophobicContact CE1-CD1 3.88Å; L22-T25 HydrophobicContact CD1-CG2 3.51Å; L22-V27 HydrophobicContact CD1-CG1 3.9Å; L22-V27 HydrophobicContact CD2-CG1 4.34Å; L22-I71 HydrophobicContact CB-CD1 4.43Å; L22-I71 HydrophobicContact CD2-CD1 3.79Å; L22-I71 HydrophobicContact CG-CD1 3.64Å; L22-I71 HydrophobicContact CG-CG1 4.18Å; L22-P164 HydrophobicContact CD1-CG 4.28Å; L22-I166 HydrophobicContact CD2-CD1 4.3Å; L22-L186 HydrophobicContact CD1-CD1 3.95Å; L22-L186 HydrophobicContact CD2-CD1 4.12Å; L22-Y214 WeakPolarHBondContact O-CA 3.27Å; L22-L215 HydrophobicContact CB-CB 4.4Å; L22-L215 PolarHBondContact N-O 3.32Å; L22-L215 PolarHBondContact O-N 2.9Å
23H94.4Very high95.4Very high47 Ų4742.5 Ų42.522%0.21821%0.211CC..  trans-158.9163.3174.268.8106.8000111.2T25 C69 A213H23-T25 PolarHBondContact O-N 2.94Å; H23-C69 VanDerWaalsContact CA-O 3.31Å; H23-C69 WeakPolarHBondContact CA-O 3.16Å; H23-C69 HydrophobicContact CB-CB 4.46Å; H23-C69 WeakPolarHBondContact CB-O 3.22Å; H23-A213 VanDerWaalsContact CB-O 3.24Å; H23-A213 WeakPolarHBondContact CB-O 3.37Å
24N92.6Very high95.5Very high30 Ų3041 Ų4116%0.1620%0.203CC..SBendtrans5045173.2-67-40000115.2C69 N70 C202 L204 C205N24-C69 PolarHBondContact N-O 3.08Å; N24-N70 VanDerWaalsContact CA-O 3.27Å; N24-N70 WeakPolarHBondContact CA-O 3.11Å; N24-N70 PolarHBondContact N-O 3.23Å; N24-N70 VanDerWaalsContact OD1-CB 3.29Å; N24-N70 WeakPolarHBondContact OD1-CB 3.39Å; N24-N70 PolarHBondContact OD1-ND2 2.97Å; N24-C202 PolarHBondContact ND2-SG 2.76Å; N24-L204 HydrophobicContact CB-CD1 4.05Å; N24-C205 PolarHBondContact ND2-SG 2.94Å; N24-C205 VanDerWaalsContact ND2-SG 3.4Å
25T94.4Very high95.7Very high39 Ų3936.2 Ų36.224%0.23917%0.172CC..EExtended strand (participates in β ladder)trans-150.1152.6-176.1-167.10000111.9L22 H23 V27 N70 I71 N72L22-T25 HydrophobicContact CD1-CG2 3.51Å; H23-T25 PolarHBondContact O-N 2.94Å; T25-V27 HydrophobicContact CG2-CG1 4.03Å; T25-N70 PolarHBondContact N-O 2.97Å; T25-I71 CarbonylContact O-C 3.59Å; T25-I71 VanDerWaalsContact O-CA 3.25Å; T25-I71 WeakPolarHBondContact O-CA 3.19Å; T25-N72 PolarHBondContact O-N 2.82Å
26T97Very high95.6Very high46 Ų4630.9 Ų30.928%0.28216%0.156SC..EExtended strand (participates in β ladder)trans-71.4151.8161.6-57.50000108.7N72 I74 L161 C163 P164T26-N72 CarbonylContact C-O 3.6Å; T26-N72 VanDerWaalsContact CA-O 3.24Å; T26-N72 WeakPolarHBondContact CA-O 3.5Å; T26-N72 WeakPolarHBondContact CG2-O 3.12Å; T26-I74 HydrophobicContact CG2-CD1 3.69Å; T26-I74 HydrophobicContact CG2-CG1 4.02Å; T26-L161 HydrophobicContact CG2-CD1 4.29Å; T26-C163 VanDerWaalsContact O-CB 3.31Å; T26-C163 WeakPolarHBondContact O-CB 3.37Å; T26-P164 WeakPolarHBondContact O-CD 3.44Å
27V97.8Very high95.6Very high0 Ų032.9 Ų32.90%017%0.165CC..EExtended strand (participates in β ladder)trans-137142169.4-65.50000110L22 T25 I29 I71 N72 P73 I74 P164 I166L22-V27 HydrophobicContact CD1-CG1 3.9Å; L22-V27 HydrophobicContact CD2-CG1 4.34Å; T25-V27 HydrophobicContact CG2-CG1 4.03Å; V27-I29 HydrophobicContact CG2-CD1 3.9Å; V27-I29 HydrophobicContact CG2-CG1 3.92Å; V27-I71 HydrophobicContact CB-CG2 4.43Å; V27-I71 HydrophobicContact CG1-CG2 3.94Å; V27-I71 HydrophobicContact CG2-CG2 3.63Å; V27-N72 PolarHBondContact N-O 2.68Å; V27-P73 HydrophobicContact CG2-CB 4.12Å; V27-I74 PolarHBondContact O-N 2.91Å; V27-P164 WeakPolarHBondContact CA-O 3.45Å; V27-P164 HydrophobicContact CG1-CB 4.18Å; V27-P164 HydrophobicContact CG1-CG 4.28Å; V27-I166 HydrophobicContact CB-CD1 3.87Å; V27-I166 HydrophobicContact CB-CG1 4.49Å; V27-I166 HydrophobicContact CG1-CD1 4.07Å; V27-I166 HydrophobicContact CG2-CD1 3.84Å
28I98Very high95.5Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-94.1132.1168.9-51.3-53.2000108.6I74 V76 V154 L157 L161 P164 V165 I166I28-I74 WeakPolarHBondContact CA-O 3.49Å; I28-I74 HydrophobicContact CD1-CB 3.87Å; I28-I74 HydrophobicContact CD1-CD1 4.06Å; I28-I74 HydrophobicContact CD1-CG1 4.41Å; I28-I74 HydrophobicContact CD1-CG2 4.33Å; I28-V76 HydrophobicContact CG2-CG2 3.61Å; I28-V154 HydrophobicContact CG2-CB 4.23Å; I28-V154 HydrophobicContact CG2-CG1 3.97Å; I28-V154 HydrophobicContact CG2-CG2 4.25Å; I28-L157 HydrophobicContact CD1-CB 3.92Å; I28-L157 HydrophobicContact CG1-CB 3.95Å; I28-L157 HydrophobicContact CG2-CB 4.42Å; I28-L161 HydrophobicContact CD1-CD1 4.1Å; I28-P164 PolarHBondContact N-O 3.31Å; I28-V165 CarbonylContact O-C 3.52Å; I28-V165 WeakPolarHBondContact O-CA 3.24Å; I28-I166 PolarHBondContact O-N 2.98Å
29I98Very high95.4Very high1 Ų129.3 Ų29.31%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-125.6127-176.8-46.1-170.9000109.9V27 G31 F34 P73 I74 F75 V76 I166V27-I29 HydrophobicContact CG2-CD1 3.9Å; V27-I29 HydrophobicContact CG2-CG1 3.92Å; I29-G31 PolarHBondContact O-N 3.38Å; I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD2 3.87Å; I29-F34 HydrophobicContact CG2-CG 3.91Å; I29-P73 HydrophobicContact CD1-CB 3.76Å; I29-P73 HydrophobicContact CG1-CB 4.46Å; I29-I74 PolarHBondContact N-O 2.71Å; I29-F75 HydrophobicContact CB-CD1 3.66Å; I29-F75 HydrophobicContact CB-CE1 3.74Å; I29-F75 HydrophobicContact CB-CG 4.48Å; I29-F75 HydrophobicContact CD1-CD1 4.45Å; I29-F75 HydrophobicContact CD1-CE1 3.75Å; I29-F75 HydrophobicContact CD1-CZ 3.87Å; I29-F75 HydrophobicContact CG1-CD1 4.48Å; I29-F75 HydrophobicContact CG1-CE1 4.23Å; I29-F75 HydrophobicContact CG2-CD1 3.87Å; I29-F75 HydrophobicContact CG2-CE1 3.67Å; I29-F75 CarbonylContact O-C 3.5Å; I29-F75 WeakPolarHBondContact O-CA 3.27Å; I29-V76 PolarHBondContact O-N 3.32Å; I29-I166 HydrophobicContact CB-CB 4.48Å; I29-I166 HydrophobicContact CD1-CD1 4.1Å; I29-I166 HydrophobicContact CG1-CB 4.15Å; I29-I166 HydrophobicContact CG1-CD1 4.13Å; I29-I166 HydrophobicContact CG2-CB 4.21Å; I29-I166 HydrophobicContact CG2-CG2 4.24Å
30D96.9Very high95.2Very high6 Ų626.6 Ų26.63%0.03213%0.13CC..EExtended strand (participates in β ladder)trans-62.1104.2165167.2-7.5000108.8N33 F34 V154 I166 S167 F172D30-N33 HydrophobicContact CB-CB 4.09Å; D30-N33 WeakPolarHBondContact OD1-CB 3.48Å; D30-N33 PolarHBondContact OD1-N 2.96Å; D30-N33 WeakPolarHBondContact OD2-CB 3.25Å; D30-N33 PolarHBondContact OD2-ND2 2.98Å; D30-F34 WeakPolarHBondContact O-CB 3.31Å; D30-F34 PolarHBondContact O-N 2.95Å; D30-V154 HydrophobicContact CB-CG2 4.43Å; D30-I166 PolarHBondContact N-O 3.01Å; D30-I166 VanDerWaalsContact N-O 3.1Å; D30-S167 PolarHBondContact OD2-OG 3.08Å; D30-F172 HydrophobicContact CB-CE2 4.34Å; D30-F172 HydrophobicContact CB-CZ 4.44Å
31G97Very high95.1Very high0 Ų028.1 Ų28.10%014%0.143CC..Hα-helixtrans-73.4-35.5-165.800000113.6I29 L35 V76I29-G31 PolarHBondContact O-N 3.38Å; G31-L35 WeakPolarHBondContact O-CB 3.42Å; G31-L35 PolarHBondContact O-N 2.91Å; G31-V76 WeakPolarHBondContact CA-O 3.46Å; G31-V76 PolarHBondContact N-O 3.38Å
32L93.5Very high94.9Very high39 Ų3924.9 Ų24.920%0.20413%0.132CC..Hα-helixtrans-74.5-37.4176.4-70.6-166.1000111.8L35 N36 L77 D78 V129L32-L35 HydrophobicContact CD2-CD1 4.48Å; L32-N36 PolarHBondContact O-N 3.44Å; L32-N36 PolarHBondContact O-ND2 3.06Å; L32-L77 HydrophobicContact CD2-CD2 4.02Å; L32-L77 HydrophobicContact CG-CD2 4.36Å; L32-D78 HydrophobicContact CD1-CB 3.71Å; L32-V129 HydrophobicContact CD2-CG1 4.35Å; L32-V129 HydrophobicContact CD2-CG2 4.11Å
33N94.6Very high94.7Very high12 Ų1227.5 Ų27.56%0.06416%0.158CC..Hα-helixtrans-64.8-44.9173.8-168.7-65.4000111.5D30 N36 F37 S167 N168 D169D30-N33 HydrophobicContact CB-CB 4.09Å; D30-N33 WeakPolarHBondContact OD1-CB 3.48Å; D30-N33 PolarHBondContact OD1-N 2.96Å; D30-N33 WeakPolarHBondContact OD2-CB 3.25Å; D30-N33 PolarHBondContact OD2-ND2 2.98Å; N33-N36 PolarHBondContact O-N 3.5Å; N33-F37 WeakPolarHBondContact O-CB 3.24Å; N33-F37 PolarHBondContact O-N 3.38Å; N33-S167 VanDerWaalsContact CG-OG 3.24Å; N33-S167 PolarHBondContact ND2-OG 3.45Å; N33-S167 VanDerWaalsContact ND2-OG 3.15Å; N33-N168 WeakPolarHBondContact OD1-CB 3.19Å; N33-N168 PolarHBondContact OD1-N 2.86Å; N33-D169 PolarHBondContact ND2-N 3.18Å
34F96.2Very high94.6Very high1 Ų126.1 Ų26.10%0.00415%0.152CC..Hα-helixtrans-60.2-47175-176.7-96.8000112.5I29 D30 N36 F37 L38 F62 F75 F132 L188 F193I29-F34 HydrophobicContact CG2-CB 3.73Å; I29-F34 HydrophobicContact CG2-CD2 3.87Å; I29-F34 HydrophobicContact CG2-CG 3.91Å; D30-F34 WeakPolarHBondContact O-CB 3.31Å; D30-F34 PolarHBondContact O-N 2.95Å; F34-N36 PolarHBondContact O-N 3.11Å; F34-F37 PolarHBondContact O-N 3.39Å; F34-L38 HydrophobicContact CD1-CD1 3.98Å; F34-L38 HydrophobicContact CD1-CG 3.99Å; F34-L38 HydrophobicContact CE1-CD1 3.32Å; F34-L38 HydrophobicContact CE1-CD2 4.26Å; F34-L38 HydrophobicContact CE1-CG 3.71Å; F34-L38 HydrophobicContact CE2-CD2 4.22Å; F34-L38 HydrophobicContact CE2-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.74Å; F34-L38 HydrophobicContact CZ-CD2 3.96Å; F34-L38 HydrophobicContact CZ-CG 3.94Å; F34-L38 WeakPolarHBondContact O-CG 3.34Å; F34-L38 PolarHBondContact O-N 2.87Å; F34-F62 HydrophobicContact CZ-CB 4.3Å; F34-F75 HydrophobicContact CB-CE1 4.31Å; F34-F75 HydrophobicContact CD1-CD1 4.32Å; F34-F75 AromaticContact CD1-CE1 3.39Å; F34-F75 HydrophobicContact CD1-CE1 3.39Å; F34-F75 HydrophobicContact CD1-CZ 4.01Å; F34-F75 HydrophobicContact CD2-CE1 4.38Å; F34-F75 AromaticContact CE1-CE1 3.62Å; F34-F75 HydrophobicContact CE1-CE1 3.62Å; F34-F75 AromaticContact CE1-CZ 3.74Å; F34-F75 HydrophobicContact CE1-CZ 3.74Å; F34-F75 AromaticContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CZ-CE1 4.25Å; F34-F75 HydrophobicContact CZ-CZ 4.22Å; F34-F132 AromaticContact CD1-CE2 3.99Å; F34-F132 HydrophobicContact CD1-CE2 3.99Å; F34-F132 AromaticContact CD1-CZ 3.84Å; F34-F132 HydrophobicContact CD1-CZ 3.84Å; F34-F132 HydrophobicContact CE1-CE2 4.09Å; F34-F132 HydrophobicContact CE1-CZ 4.26Å; F34-L188 HydrophobicContact CB-CD2 4.12Å; F34-L188 HydrophobicContact CD2-CD1 3.66Å; F34-L188 HydrophobicContact CD2-CD2 3.75Å; F34-L188 HydrophobicContact CD2-CG 4.38Å; F34-L188 HydrophobicContact CE2-CD1 3.93Å; F34-L188 HydrophobicContact CG-CD2 4.35Å; F34-F193 HydrophobicContact CE2-CE1 4.32Å; F34-F193 HydrophobicContact CE2-CZ 4.03Å
35L96.4Very high94.6Very high0 Ų026.7 Ų26.70%015%0.152CC..Hα-helixtrans-56.9-47.8176.2179.3164.2000112G31 L32 L38 Y39 F55 L124 V129 F132G31-L35 WeakPolarHBondContact O-CB 3.42Å; G31-L35 PolarHBondContact O-N 2.91Å; L32-L35 HydrophobicContact CD2-CD1 4.48Å; L35-L38 PolarHBondContact O-N 2.75Å; L35-Y39 PolarHBondContact O-N 3.22Å; L35-F55 HydrophobicContact CG-CZ 4.14Å; L35-L124 HydrophobicContact CD2-CD1 3.66Å; L35-L124 HydrophobicContact CD2-CD2 3.58Å; L35-L124 HydrophobicContact CD2-CG 4.21Å; L35-V129 HydrophobicContact CD1-CB 4.31Å; L35-V129 HydrophobicContact CD1-CG2 3.98Å; L35-F132 HydrophobicContact CB-CD1 4.44Å; L35-F132 HydrophobicContact CD1-CB 3.62Å; L35-F132 HydrophobicContact CD1-CD1 3.93Å; L35-F132 HydrophobicContact CD1-CG 3.87Å; L35-F132 HydrophobicContact CG-CB 4.34Å; L35-F132 HydrophobicContact CG-CG 4.36Å
36N93.7Very high94.5Very high56 Ų5625.1 Ų25.130%0.29914%0.143SC..Hα-helixtrans-63.2-44.8178.9-83.2-87.7000111.2L32 N33 F34 Y39 F40L32-N36 PolarHBondContact O-N 3.44Å; L32-N36 PolarHBondContact O-ND2 3.06Å; N33-N36 PolarHBondContact O-N 3.5Å; F34-N36 PolarHBondContact O-N 3.11Å; N36-Y39 PolarHBondContact O-N 3.43Å; N36-F40 HydrophobicContact CB-CE2 4.49Å; N36-F40 WeakPolarHBondContact O-CD2 3.48Å; N36-F40 PolarHBondContact O-N 3.09Å
37F94.4Very high94.3Very high45 Ų4523.1 Ų23.120%0.19713%0.131CC..Hα-helixtrans-56.8-52.4174.6173.4-102.7000111.3N33 F34 Y39 F40 D41 L188 F193N33-F37 WeakPolarHBondContact O-CB 3.24Å; N33-F37 PolarHBondContact O-N 3.38Å; F34-F37 PolarHBondContact O-N 3.39Å; F37-Y39 VanDerWaalsContact C-N 3.35Å; F37-Y39 PolarHBondContact O-N 3.48Å; F37-F40 PolarHBondContact O-N 2.84Å; F37-D41 HydrophobicContact CE2-CB 4.42Å; F37-D41 HydrophobicContact CZ-CB 4.47Å; F37-D41 WeakPolarHBondContact O-CB 3.46Å; F37-D41 PolarHBondContact O-N 2.65Å; F37-L188 HydrophobicContact CB-CD2 3.66Å; F37-L188 HydrophobicContact CB-CG 4.5Å; F37-L188 HydrophobicContact CD1-CD1 4.04Å; F37-L188 HydrophobicContact CD1-CD2 3.61Å; F37-L188 HydrophobicContact CD1-CG 3.71Å; F37-L188 HydrophobicContact CE1-CD1 4.15Å; F37-L188 HydrophobicContact CE1-CD2 4.45Å; F37-L188 HydrophobicContact CE1-CG 4.06Å; F37-L188 HydrophobicContact CG-CD2 3.7Å; F37-L188 HydrophobicContact CG-CG 4.02Å; F37-F193 HydrophobicContact CE1-CE2 4.35Å
38L94.4Very high94.1Very high0 Ų023.1 Ų23.10%013%0.131CC..Hα-helixtrans-58.5-42.7179.4-71-156.4000113.2F34 L35 S42 F55 V58 I59 F62F34-L38 HydrophobicContact CD1-CD1 3.98Å; F34-L38 HydrophobicContact CD1-CG 3.99Å; F34-L38 HydrophobicContact CE1-CD1 3.32Å; F34-L38 HydrophobicContact CE1-CD2 4.26Å; F34-L38 HydrophobicContact CE1-CG 3.71Å; F34-L38 HydrophobicContact CE2-CD2 4.22Å; F34-L38 HydrophobicContact CE2-CG 4.43Å; F34-L38 HydrophobicContact CZ-CD1 3.74Å; F34-L38 HydrophobicContact CZ-CD2 3.96Å; F34-L38 HydrophobicContact CZ-CG 3.94Å; F34-L38 WeakPolarHBondContact O-CG 3.34Å; F34-L38 PolarHBondContact O-N 2.87Å; L35-L38 PolarHBondContact O-N 2.75Å; L38-S42 VanDerWaalsContact O-CB 3.23Å; L38-S42 WeakPolarHBondContact O-CB 3.31Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 2.91Å; L38-F55 HydrophobicContact CB-CE2 4.13Å; L38-V58 HydrophobicContact CB-CG1 4.44Å; L38-I59 HydrophobicContact CD1-CG1 4.28Å; L38-F62 HydrophobicContact CD1-CB 4.23Å; L38-F62 HydrophobicContact CD1-CD2 3.99Å; L38-F62 HydrophobicContact CD1-CG 4.12Å; L38-F62 HydrophobicContact CD2-CB 4.46Å; L38-F62 HydrophobicContact CD2-CD1 3.6Å; L38-F62 HydrophobicContact CD2-CD2 3.56Å; L38-F62 HydrophobicContact CD2-CE1 3.57Å; L38-F62 HydrophobicContact CD2-CE2 3.55Å; L38-F62 HydrophobicContact CD2-CG 3.62Å; L38-F62 HydrophobicContact CD2-CZ 3.55Å; L38-F62 HydrophobicContact CG-CD2 4.4Å
39Y94.4Very high93.9Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-66.4-45.7-175.9-165.2-81.1000111.5L35 N36 F37 S42 L44 A46 E51 F55 L124 P125 T128L35-Y39 PolarHBondContact O-N 3.22Å; N36-Y39 PolarHBondContact O-N 3.43Å; F37-Y39 VanDerWaalsContact C-N 3.35Å; F37-Y39 PolarHBondContact O-N 3.48Å; Y39-S42 PolarHBondContact O-OG 2.99Å; Y39-L44 HydrophobicContact CD2-CD1 4.49Å; Y39-L44 HydrophobicContact CE1-CB 4.1Å; Y39-L44 HydrophobicContact CE2-CB 4.44Å; Y39-L44 HydrophobicContact CE2-CD1 4.11Å; Y39-A46 HydrophobicContact CE1-CB 4.36Å; Y39-E51 PolarHBondContact OH-N 3.46Å; Y39-F55 HydrophobicContact CD2-CB 4.45Å; Y39-F55 HydrophobicContact CD2-CD1 4.1Å; Y39-F55 AromaticContact CD2-CD2 3.57Å; Y39-F55 HydrophobicContact CD2-CD2 3.57Å; Y39-F55 HydrophobicContact CD2-CE1 4.21Å; Y39-F55 AromaticContact CD2-CE2 3.72Å; Y39-F55 HydrophobicContact CD2-CE2 3.72Å; Y39-F55 AromaticContact CD2-CG 3.78Å; Y39-F55 HydrophobicContact CD2-CG 3.78Å; Y39-F55 HydrophobicContact CD2-CZ 4.05Å; Y39-F55 HydrophobicContact CE2-CB 4.3Å; Y39-F55 HydrophobicContact CE2-CD1 4.47Å; Y39-F55 HydrophobicContact CE2-CD2 4.22Å; Y39-F55 HydrophobicContact CE2-CG 4.09Å; Y39-F55 HydrophobicContact CG-CD2 4.41Å; Y39-F55 HydrophobicContact CG-CE2 4.28Å; Y39-L124 HydrophobicContact CD1-CD1 4.27Å; Y39-L124 HydrophobicContact CD2-CD1 4.36Å; Y39-L124 HydrophobicContact CG-CD1 3.85Å; Y39-P125 HydrophobicContact CE1-CG 4.09Å; Y39-P125 HydrophobicContact CE2-CG 4.29Å; Y39-T128 HydrophobicContact CD2-CG2 3.59Å; Y39-T128 HydrophobicContact CE2-CG2 3.7Å; Y39-T128 HydrophobicContact CG-CG2 4.38Å
40F91.4Very high93.7Very high69 Ų6924.8 Ų24.830%0.30314%0.14SC..Hα-helixtrans-79.9-38.9-176.9-61.7-56.3000113.3N36 F37 S42 G43 E122 L124N36-F40 HydrophobicContact CB-CE2 4.49Å; N36-F40 WeakPolarHBondContact O-CD2 3.48Å; N36-F40 PolarHBondContact O-N 3.09Å; F37-F40 PolarHBondContact O-N 2.84Å; F40-S42 VanDerWaalsContact C-N 3.25Å; F40-S42 PolarHBondContact O-N 3.25Å; F40-G43 PolarHBondContact O-N 3.47Å; F40-G43 VanDerWaalsContact O-N 3.15Å; F40-E122 HydrophobicContact CE1-CB 4.32Å; F40-E122 HydrophobicContact CZ-CB 4.48Å; F40-L124 HydrophobicContact CZ-CB 4.15Å; F40-L124 HydrophobicContact CZ-CD1 4.49Å
41D91.5Very high93.6Very high102 Ų10225.1 Ų25.155%0.54514%0.141SC..Hα-helixtrans-61.6-34.5175.8-175.874.4000112F37 G43F37-D41 HydrophobicContact CE2-CB 4.42Å; F37-D41 HydrophobicContact CZ-CB 4.47Å; F37-D41 WeakPolarHBondContact O-CB 3.46Å; F37-D41 PolarHBondContact O-N 2.65Å; D41-G43 PolarHBondContact O-N 3.45Å; D41-G43 VanDerWaalsContact O-N 3.17Å
42S91.6Very high93.6Very high30 Ų3025.1 Ų25.121%0.2114%0.141CC..THydrogen-bonded Turntrans-72.5-2.9177.865.80000115.6L38 Y39 F40 L44L38-S42 VanDerWaalsContact O-CB 3.23Å; L38-S42 WeakPolarHBondContact O-CB 3.31Å; L38-S42 PolarHBondContact O-N 2.89Å; L38-S42 PolarHBondContact O-OG 2.91Å; Y39-S42 PolarHBondContact O-OG 2.99Å; F40-S42 VanDerWaalsContact C-N 3.25Å; F40-S42 PolarHBondContact O-N 3.25Å; S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 2.96Å; S42-L44 WeakPolarHBondContact OG-CG 3.48Å
43G91Very high93.6Very high54 Ų5423.4 Ų23.456%0.55713%0.132SC*.THydrogen-bonded Turntrans64.923.5173.800000114.9F40 D41F40-G43 PolarHBondContact O-N 3.47Å; F40-G43 VanDerWaalsContact O-N 3.15Å; D41-G43 PolarHBondContact O-N 3.45Å; D41-G43 VanDerWaalsContact O-N 3.17Å
44L92.9Very high93.6Very high18 Ų1823.1 Ų23.19%0.09413%0.132CC..  trans-72.3146-179-64.3178000112.1Y39 S42 A46 E51 A54 F55 V58Y39-L44 HydrophobicContact CD2-CD1 4.49Å; Y39-L44 HydrophobicContact CE1-CB 4.1Å; Y39-L44 HydrophobicContact CE2-CB 4.44Å; Y39-L44 HydrophobicContact CE2-CD1 4.11Å; S42-L44 VanDerWaalsContact C-N 3.26Å; S42-L44 PolarHBondContact O-N 2.96Å; S42-L44 WeakPolarHBondContact OG-CG 3.48Å; L44-A46 PolarHBondContact O-N 3.43Å; L44-E51 HydrophobicContact CB-CB 4.35Å; L44-E51 HydrophobicContact CD2-CB 4.29Å; L44-A54 HydrophobicContact CD1-CB 4.2Å; L44-A54 HydrophobicContact CD2-CB 3.51Å; L44-F55 HydrophobicContact CD1-CB 3.78Å; L44-F55 HydrophobicContact CD1-CD2 4.14Å; L44-F55 HydrophobicContact CD1-CG 4.4Å; L44-V58 HydrophobicContact CD1-CG2 4.45Å
45Y91.8Very high93.5Very high42 Ų4223.1 Ų23.117%0.16513%0.132CC..  trans-70.397.3-178-57-53.7000111.9Q47 F48 I115 Y403Y45-Q47 VanDerWaalsContact C-N 3.31Å; Y45-F48 HydrophobicContact CD2-CD2 4.44Å; Y45-F48 HydrophobicContact CD2-CE2 4.31Å; Y45-F48 HydrophobicContact CG-CD2 4.22Å; Y45-F48 HydrophobicContact CG-CE2 4.14Å; Y45-I115 HydrophobicContact CE1-CB 4.37Å; Y45-I115 HydrophobicContact CE1-CG2 4.37Å; Y45-I115 HydrophobicContact CE2-CG2 4.17Å; Y45-Y403 HydrophobicContact CE2-CE2 4.19Å
46A92.6Very high93.4Very high6 Ų623.1 Ų23.15%0.0513%0.132CC..G310 helixtrans-66.3-32.5173.200000112.7Y39 L44 F48 N49 I121 L123Y39-A46 HydrophobicContact CE1-CB 4.36Å; L44-A46 PolarHBondContact O-N 3.43Å; A46-F48 PolarHBondContact O-N 3.39Å; A46-F48 VanDerWaalsContact O-N 3.11Å; A46-N49 PolarHBondContact O-N 2.9Å; A46-I121 HydrophobicContact CB-CG1 4.26Å; A46-I121 VanDerWaalsContact CB-O 3.22Å; A46-I121 WeakPolarHBondContact CB-O 3.46Å; A46-L123 WeakPolarHBondContact CB-O 3.14Å
47Q92.6Very high93.4Very high4 Ų421 Ų212%0.01912%0.123CC..G310 helixtrans-66.3-15-171.268.9-89.63700115.2Y45 L103 Y119 N120 L431 I436Y45-Q47 VanDerWaalsContact C-N 3.31Å; Q47-L103 HydrophobicContact CB-CD2 4.41Å; Q47-Y119 WeakPolarHBondContact CB-O 3.33Å; Q47-N120 PolarHBondContact NE2-OD1 2.88Å; Q47-N120 PolarHBondContact OE1-OD1 3.37Å; Q47-L431 HydrophobicContact CB-CD2 4.26Å; Q47-L431 HydrophobicContact CG-CD1 4.34Å; Q47-L431 HydrophobicContact CG-CD2 4.09Å; Q47-I436 VanDerWaalsContact O-CD1 3.32Å; Q47-I436 WeakPolarHBondContact O-CD1 3.29Å
48F94Very high93.4Very high0 Ų019.6 Ų19.60%012%0.118CC..G310 helixtrans-97.216.3174.7-57.1-80.6000113.5Y45 A46 G50 P114 I115 L431 I436 Y439 G485 Y486 H489Y45-F48 HydrophobicContact CD2-CD2 4.44Å; Y45-F48 HydrophobicContact CD2-CE2 4.31Å; Y45-F48 HydrophobicContact CG-CD2 4.22Å; Y45-F48 HydrophobicContact CG-CE2 4.14Å; A46-F48 PolarHBondContact O-N 3.39Å; A46-F48 VanDerWaalsContact O-N 3.11Å; F48-G50 VanDerWaalsContact C-N 3.29Å; F48-G50 PolarHBondContact O-N 3.45Å; F48-P114 HydrophobicContact CE1-CB 3.91Å; F48-P114 HydrophobicContact CZ-CB 3.68Å; F48-P114 WeakPolarHBondContact CZ-O 3.29Å; F48-I115 HydrophobicContact CE2-CG2 4.24Å; F48-I115 HydrophobicContact CZ-CG2 4.26Å; F48-L431 HydrophobicContact CD1-CD1 3.8Å; F48-L431 HydrophobicContact CE1-CD1 3.22Å; F48-L431 HydrophobicContact CZ-CD1 3.69Å; F48-I436 HydrophobicContact CD1-CD1 4.08Å; F48-I436 HydrophobicContact CD1-CG1 4.32Å; F48-Y439 WeakPolarHBondContact O-CD1 3.3Å; F48-G485 WeakPolarHBondContact O-CA 3.28Å; F48-Y486 HydrophobicContact CD2-CD2 4.35Å; F48-Y486 HydrophobicContact CE1-CD2 4.19Å; F48-Y486 AromaticContact CE2-CD2 3.77Å; F48-Y486 HydrophobicContact CE2-CD2 3.77Å; F48-Y486 HydrophobicContact CE2-CG 4.41Å; F48-Y486 AromaticContact CZ-CD2 3.69Å; F48-Y486 HydrophobicContact CZ-CD2 3.69Å; F48-Y486 HydrophobicContact CZ-CE2 4.44Å; F48-H489 HydrophobicContact CD1-CB 3.69Å; F48-H489 AromaticContact CD1-CG 3.91Å; F48-H489 HydrophobicContact CE1-CB 3.94Å; F48-H489 AromaticContact CE1-CG 3.76Å
49N93.4Very high93.4Very high37 Ų3719.6 Ų19.620%0.19812%0.118CC..THydrogen-bonded Turntrans59.534.6-171.3-67.6-18.4000114A46 Y52 I436 Y439 Q443A46-N49 PolarHBondContact O-N 2.9Å; N49-Y52 PolarHBondContact O-OH 3.27Å; N49-Y52 VanDerWaalsContact O-OH 3.06Å; N49-I436 HydrophobicContact CB-CG2 4.33Å; N49-I436 WeakPolarHBondContact ND2-CG2 3.43Å; N49-I436 PolarHBondContact ND2-O 3.08Å; N49-Y439 HydrophobicContact CB-CD1 4.18Å; N49-Q443 PolarHBondContact O-NE2 3.3Å; N49-Q443 PolarHBondContact O-OE1 2.87Å
50G93.7Very high93.4Very high0 Ų019.6 Ų19.60%012%0.118CC..  trans110.9148.3158.800000117.2F48 G485F48-G50 VanDerWaalsContact C-N 3.29Å; F48-G50 PolarHBondContact O-N 3.45Å; G50-G485 PolarHBondContact O-N 3.03Å
51E94.9Very high93.4Very high12 Ų1222.4 Ų22.46%0.05613%0.127CC..  trans-118.463.3179.1-65.1-64.6131.200109.8Y39 L44 L53 A54 F55 P483 S484 G485 Y486Y39-E51 PolarHBondContact OH-N 3.46Å; L44-E51 HydrophobicContact CB-CB 4.35Å; L44-E51 HydrophobicContact CD2-CB 4.29Å; E51-L53 PolarHBondContact O-N 2.96Å; E51-A54 HydrophobicContact CB-CB 4.02Å; E51-A54 WeakPolarHBondContact O-CA 3.47Å; E51-A54 WeakPolarHBondContact O-CB 3.29Å; E51-A54 PolarHBondContact O-N 2.81Å; E51-F55 PolarHBondContact O-N 2.76Å; E51-P483 CarbonylContact C-O 3.58Å; E51-S484 VanDerWaalsContact CD-OG 3.22Å; E51-S484 PolarHBondContact OE1-OG 2.93Å; E51-S484 VanDerWaalsContact OE1-OG 3.06Å; E51-S484 WeakPolarHBondContact OE2-CB 3.24Å; E51-S484 PolarHBondContact OE2-OG 3.21Å; E51-G485 PolarHBondContact OE1-N 3.22Å; E51-Y486 VanDerWaalsContact OE1-CB 3.26Å; E51-Y486 WeakPolarHBondContact OE1-CB 3.37Å; E51-Y486 PolarHBondContact OE1-N 3.41Å
52Y95.8Very high93.6Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-66.7-30.5-164-55.1-59.7000114.4N49 F55 S56 P125 P126 L127 T128 T131 Q443 I478 F482 P483N49-Y52 PolarHBondContact O-OH 3.27Å; N49-Y52 VanDerWaalsContact O-OH 3.06Å; Y52-F55 PolarHBondContact O-N 2.95Å; Y52-S56 PolarHBondContact O-N 2.81Å; Y52-P125 HydrophobicContact CE1-CB 3.98Å; Y52-P125 VanDerWaalsContact OH-CB 3.24Å; Y52-P125 WeakPolarHBondContact OH-CB 3.43Å; Y52-P126 WeakPolarHBondContact OH-CD 3.28Å; Y52-L127 HydrophobicContact CD1-CB 4.35Å; Y52-L127 HydrophobicContact CD2-CB 4.33Å; Y52-L127 HydrophobicContact CD2-CD1 4.23Å; Y52-L127 HydrophobicContact CE1-CB 3.76Å; Y52-L127 HydrophobicContact CE2-CB 3.78Å; Y52-L127 HydrophobicContact CE2-CD1 3.73Å; Y52-L127 HydrophobicContact CE2-CG 3.83Å; Y52-L127 VanDerWaalsContact CZ-CB 3.45Å; Y52-L127 PolarHBondContact OH-N 3.09Å; Y52-L127 VanDerWaalsContact OH-N 3.15Å; Y52-T128 HydrophobicContact CD1-CG2 4.45Å; Y52-T128 HydrophobicContact CE1-CG2 3.91Å; Y52-T131 WeakPolarHBondContact CD1-OG1 3.47Å; Y52-Q443 PolarHBondContact OH-OE1 2.82Å; Y52-I478 HydrophobicContact CD1-CG2 4.31Å; Y52-I478 HydrophobicContact CD2-CG2 3.59Å; Y52-I478 HydrophobicContact CE2-CG2 4.27Å; Y52-I478 HydrophobicContact CG-CG2 3.64Å; Y52-F482 HydrophobicContact CD2-CB 3.68Å; Y52-F482 WeakPolarHBondContact CD2-O 3.43Å; Y52-F482 HydrophobicContact CE2-CB 4.03Å; Y52-P483 PolarHBondContact N-O 2.88Å
53L94.3Very high93.7Very high3 Ų316.6 Ų16.62%0.0169%0.093CC..Hα-helixtrans-66.8-37.7171.1178.466.7000112.2E51 S56 G57 I383 Y394 L398 F402 Y479 P483E51-L53 PolarHBondContact O-N 2.96Å; L53-S56 PolarHBondContact O-OG 3.45Å; L53-G57 PolarHBondContact O-N 2.89Å; L53-I383 HydrophobicContact CD1-CD1 4.46Å; L53-Y394 HydrophobicContact CD1-CE2 3.91Å; L53-L398 HydrophobicContact CD1-CD2 4.5Å; L53-L398 HydrophobicContact CD2-CB 4.3Å; L53-L398 HydrophobicContact CD2-CD2 3.81Å; L53-L398 HydrophobicContact CD2-CG 3.83Å; L53-F402 HydrophobicContact CD2-CD2 3.78Å; L53-F402 HydrophobicContact CD2-CE2 3.7Å; L53-Y479 HydrophobicContact CD1-CD2 4.43Å; L53-P483 HydrophobicContact CB-CB 3.93Å; L53-P483 WeakPolarHBondContact CB-O 3.42Å; L53-P483 HydrophobicContact CD2-CB 4.29Å; L53-P483 PolarHBondContact N-O 2.89Å
54A93.9Very high93.8Very high7 Ų716.2 Ų16.26%0.0588%0.078CC..Hα-helixtrans-68.1-41.6174.600000110.8L44 E51 G57 V58 K399L44-A54 HydrophobicContact CD1-CB 4.2Å; L44-A54 HydrophobicContact CD2-CB 3.51Å; E51-A54 HydrophobicContact CB-CB 4.02Å; E51-A54 WeakPolarHBondContact O-CA 3.47Å; E51-A54 WeakPolarHBondContact O-CB 3.29Å; E51-A54 PolarHBondContact O-N 2.81Å; A54-G57 PolarHBondContact O-N 2.92Å; A54-V58 WeakPolarHBondContact O-CG2 3.5Å; A54-V58 PolarHBondContact O-N 2.79Å; A54-K399 HydrophobicContact CB-CD 3.5Å; A54-K399 VanDerWaalsContact CB-CD 3.5Å; A54-K399 VanDerWaalsContact CB-CE 3.48Å; A54-K399 HydrophobicContact CB-CG 4.06Å
55F95.4Very high93.9Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-65.5-39.5179.5-171.7-129.9000112.5L35 L38 Y39 L44 E51 Y52 G57 V58 I59 T128 T131L35-F55 HydrophobicContact CG-CZ 4.14Å; L38-F55 HydrophobicContact CB-CE2 4.13Å; Y39-F55 HydrophobicContact CD2-CB 4.45Å; Y39-F55 HydrophobicContact CD2-CD1 4.1Å; Y39-F55 AromaticContact CD2-CD2 3.57Å; Y39-F55 HydrophobicContact CD2-CD2 3.57Å; Y39-F55 HydrophobicContact CD2-CE1 4.21Å; Y39-F55 AromaticContact CD2-CE2 3.72Å; Y39-F55 HydrophobicContact CD2-CE2 3.72Å; Y39-F55 AromaticContact CD2-CG 3.78Å; Y39-F55 HydrophobicContact CD2-CG 3.78Å; Y39-F55 HydrophobicContact CD2-CZ 4.05Å; Y39-F55 HydrophobicContact CE2-CB 4.3Å; Y39-F55 HydrophobicContact CE2-CD1 4.47Å; Y39-F55 HydrophobicContact CE2-CD2 4.22Å; Y39-F55 HydrophobicContact CE2-CG 4.09Å; Y39-F55 HydrophobicContact CG-CD2 4.41Å; Y39-F55 HydrophobicContact CG-CE2 4.28Å; L44-F55 HydrophobicContact CD1-CB 3.78Å; L44-F55 HydrophobicContact CD1-CD2 4.14Å; L44-F55 HydrophobicContact CD1-CG 4.4Å; E51-F55 PolarHBondContact O-N 2.76Å; Y52-F55 PolarHBondContact O-N 2.95Å; F55-G57 VanDerWaalsContact C-N 3.29Å; F55-G57 PolarHBondContact O-N 2.84Å; F55-V58 HydrophobicContact CD2-CB 4.45Å; F55-V58 WeakPolarHBondContact O-CA 3.47Å; F55-V58 WeakPolarHBondContact O-CB 3.44Å; F55-V58 PolarHBondContact O-N 3.17Å; F55-I59 HydrophobicContact CD1-CD1 3.77Å; F55-I59 HydrophobicContact CD2-CD1 4.43Å; F55-I59 HydrophobicContact CD2-CG1 4.4Å; F55-I59 HydrophobicContact CE1-CD1 3.62Å; F55-I59 HydrophobicContact CE1-CG1 4.3Å; F55-I59 HydrophobicContact CE2-CD1 4.29Å; F55-I59 HydrophobicContact CE2-CG1 4.11Å; F55-I59 HydrophobicContact CG-CD1 4.17Å; F55-I59 HydrophobicContact CZ-CD1 3.89Å; F55-I59 HydrophobicContact CZ-CG1 4.06Å; F55-I59 WeakPolarHBondContact O-CG1 3.32Å; F55-I59 PolarHBondContact O-N 2.99Å; F55-T128 HydrophobicContact CD1-CG2 4.46Å; F55-T128 HydrophobicContact CE1-CG2 4.3Å; F55-T131 HydrophobicContact CD1-CG2 3.99Å
56S94.3Very high94.1Very high0 Ų014.1 Ų14.10%07%0.071CC..Hα-helixtrans-60-39.417579.70000112.2Y52 L53 S60Y52-S56 PolarHBondContact O-N 2.81Å; L53-S56 PolarHBondContact O-OG 3.45Å; S56-S60 WeakPolarHBondContact O-CB 3.25Å; S56-S60 PolarHBondContact O-N 2.98Å; S56-S60 PolarHBondContact O-OG 2.94Å
57G92.8Very high94.1Very high12 Ų1218.4 Ų18.412%0.1249%0.086CC..Hα-helixtrans-67.7-34.7172.300000113.9L53 A54 F55 R61 L392L53-G57 PolarHBondContact O-N 2.89Å; A54-G57 PolarHBondContact O-N 2.92Å; F55-G57 VanDerWaalsContact C-N 3.29Å; F55-G57 PolarHBondContact O-N 2.84Å; G57-R61 WeakPolarHBondContact O-CB 3.39Å; G57-R61 PolarHBondContact O-N 2.88Å; G57-R61 VanDerWaalsContact O-N 3.11Å; G57-L392 WeakPolarHBondContact O-CD1 3.45Å
58V94Very high94.2Very high15 Ų1525.7 Ų25.79%0.09111%0.113CC..Hα-helixtrans-61.8-58.1172.4171.70000109.6L38 L44 A54 F55 S60 R61 F62L38-V58 HydrophobicContact CB-CG1 4.44Å; L44-V58 HydrophobicContact CD1-CG2 4.45Å; A54-V58 WeakPolarHBondContact O-CG2 3.5Å; A54-V58 PolarHBondContact O-N 2.79Å; F55-V58 HydrophobicContact CD2-CB 4.45Å; F55-V58 WeakPolarHBondContact O-CA 3.47Å; F55-V58 WeakPolarHBondContact O-CB 3.44Å; F55-V58 PolarHBondContact O-N 3.17Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 3.12Å; V58-R61 WeakPolarHBondContact O-CB 3.42Å; V58-R61 PolarHBondContact O-N 2.89Å; V58-F62 HydrophobicContact CG1-CD2 3.86Å; V58-F62 HydrophobicContact CG1-CE2 3.74Å; V58-F62 VanDerWaalsContact O-CD2 3.32Å; V58-F62 WeakPolarHBondContact O-CD2 3.44Å; V58-F62 PolarHBondContact O-N 2.85Å; V58-F62 VanDerWaalsContact O-N 3.16Å
59I95.1Very high94.2Very high0 Ų025.8 Ų25.80%011%0.114CC..Hα-helixtrans-52.4-49.6179.9-61.2155.3000110.6L38 F55 R61 F62 I63 F132 V135 L136L38-I59 HydrophobicContact CD1-CG1 4.28Å; F55-I59 HydrophobicContact CD1-CD1 3.77Å; F55-I59 HydrophobicContact CD2-CD1 4.43Å; F55-I59 HydrophobicContact CD2-CG1 4.4Å; F55-I59 HydrophobicContact CE1-CD1 3.62Å; F55-I59 HydrophobicContact CE1-CG1 4.3Å; F55-I59 HydrophobicContact CE2-CD1 4.29Å; F55-I59 HydrophobicContact CE2-CG1 4.11Å; F55-I59 HydrophobicContact CG-CD1 4.17Å; F55-I59 HydrophobicContact CZ-CD1 3.89Å; F55-I59 HydrophobicContact CZ-CG1 4.06Å; F55-I59 WeakPolarHBondContact O-CG1 3.32Å; F55-I59 PolarHBondContact O-N 2.99Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.04Å; I59-F62 PolarHBondContact O-N 2.88Å; I59-F62 VanDerWaalsContact O-N 3.1Å; I59-I63 HydrophobicContact CG2-CG1 4.26Å; I59-I63 WeakPolarHBondContact O-CG1 3.3Å; I59-I63 PolarHBondContact O-N 3.35Å; I59-F132 HydrophobicContact CD1-CB 4.31Å; I59-F132 HydrophobicContact CD1-CD2 3.82Å; I59-F132 HydrophobicContact CG1-CD2 3.9Å; I59-F132 HydrophobicContact CG1-CE2 4.44Å; I59-F132 HydrophobicContact CG2-CD2 3.99Å; I59-F132 HydrophobicContact CG2-CE2 4.03Å; I59-V135 HydrophobicContact CB-CG1 3.94Å; I59-V135 HydrophobicContact CD1-CB 4.31Å; I59-V135 HydrophobicContact CD1-CG2 4.43Å; I59-V135 HydrophobicContact CG2-CB 4.27Å; I59-V135 HydrophobicContact CG2-CG1 3.64Å; I59-L136 HydrophobicContact CG2-CD2 4.5Å
60S93.7Very high94.2Very high0 Ų027.6 Ų27.60%012%0.124CC..Hα-helixtrans-57.8-36.8179.4-57.20000113.2S56 V58 N64 H391S56-S60 WeakPolarHBondContact O-CB 3.25Å; S56-S60 PolarHBondContact O-N 2.98Å; S56-S60 PolarHBondContact O-OG 2.94Å; V58-S60 VanDerWaalsContact C-N 3.29Å; V58-S60 PolarHBondContact O-N 3.12Å; S60-N64 VanDerWaalsContact O-CB 3.3Å; S60-N64 WeakPolarHBondContact O-CB 3.38Å; S60-N64 PolarHBondContact O-N 2.79Å; S60-N64 PolarHBondContact O-ND2 2.96Å; S60-H391 PolarHBondContact OG-CE1 3.03Å; S60-H391 PolarHBondContact OG-ND1 3.02Å
61R92.8Very high94.4Very high128 Ų12827.8 Ų27.848%0.48313%0.125SC..Hα-helixtrans-65.7-46.7176-175.4-179.262.9173.91.5111.1G57 V58 I59 N64 S65 L392G57-R61 WeakPolarHBondContact O-CB 3.39Å; G57-R61 PolarHBondContact O-N 2.88Å; G57-R61 VanDerWaalsContact O-N 3.11Å; V58-R61 WeakPolarHBondContact O-CB 3.42Å; V58-R61 PolarHBondContact O-N 2.89Å; I59-R61 VanDerWaalsContact C-N 3.26Å; I59-R61 PolarHBondContact O-N 3.04Å; R61-N64 PolarHBondContact O-N 3.47Å; R61-S65 PolarHBondContact O-N 2.84Å; R61-S65 PolarHBondContact O-OG 3.47Å; R61-L392 HydrophobicContact CB-CD1 3.98Å
62F94Very high94.4Very high11 Ų1130.3 Ų30.35%0.04814%0.139CC..Hα-helixtrans-64.1-44.2179.6-80.5-90.9000112F34 L38 V58 I59 N64 S65 L66 F193F34-F62 HydrophobicContact CZ-CB 4.3Å; L38-F62 HydrophobicContact CD1-CB 4.23Å; L38-F62 HydrophobicContact CD1-CD2 3.99Å; L38-F62 HydrophobicContact CD1-CG 4.12Å; L38-F62 HydrophobicContact CD2-CB 4.46Å; L38-F62 HydrophobicContact CD2-CD1 3.6Å; L38-F62 HydrophobicContact CD2-CD2 3.56Å; L38-F62 HydrophobicContact CD2-CE1 3.57Å; L38-F62 HydrophobicContact CD2-CE2 3.55Å; L38-F62 HydrophobicContact CD2-CG 3.62Å; L38-F62 HydrophobicContact CD2-CZ 3.55Å; L38-F62 HydrophobicContact CG-CD2 4.4Å; V58-F62 HydrophobicContact CG1-CD2 3.86Å; V58-F62 HydrophobicContact CG1-CE2 3.74Å; V58-F62 VanDerWaalsContact O-CD2 3.32Å; V58-F62 WeakPolarHBondContact O-CD2 3.44Å; V58-F62 PolarHBondContact O-N 2.85Å; V58-F62 VanDerWaalsContact O-N 3.16Å; I59-F62 PolarHBondContact O-N 2.88Å; I59-F62 VanDerWaalsContact O-N 3.1Å; F62-N64 VanDerWaalsContact C-N 3.33Å; F62-N64 PolarHBondContact O-N 3.24Å; F62-S65 PolarHBondContact O-N 3.15Å; F62-L66 WeakPolarHBondContact O-CG 3.45Å; F62-L66 PolarHBondContact O-N 2.82Å; F62-L66 VanDerWaalsContact O-N 3.09Å; F62-F193 HydrophobicContact CD1-CB 3.72Å; F62-F193 AromaticContact CD1-CD1 3.53Å; F62-F193 HydrophobicContact CD1-CD1 3.53Å; F62-F193 AromaticContact CD1-CD2 3.78Å; F62-F193 HydrophobicContact CD1-CD2 3.78Å; F62-F193 AromaticContact CD1-CE1 4Å; F62-F193 HydrophobicContact CD1-CE1 4Å; F62-F193 HydrophobicContact CD1-CE2 4.21Å; F62-F193 AromaticContact CD1-CG 3.38Å; F62-F193 HydrophobicContact CD1-CG 3.38Å; F62-F193 HydrophobicContact CD1-CZ 4.31Å; F62-F193 HydrophobicContact CE1-CB 3.66Å; F62-F193 HydrophobicContact CE1-CD1 4.1Å; F62-F193 AromaticContact CE1-CD2 3.45Å; F62-F193 HydrophobicContact CE1-CD2 3.45Å; F62-F193 VanDerWaalsContact CE1-CD2 3.45Å; F62-F193 HydrophobicContact CE1-CE2 4.04Å; F62-F193 AromaticContact CE1-CG 3.46Å; F62-F193 HydrophobicContact CE1-CG 3.46Å; F62-F193 VanDerWaalsContact CE1-CG 3.46Å
63I95.2Very high94.5Very high0 Ų030.4 Ų30.40%014%0.139CC..Hα-helixtrans-60.1-42.4173.6-63.2-56.9000111.4I59 S65 L66 R67 P73 F75 L136 L139 V141I59-I63 HydrophobicContact CG2-CG1 4.26Å; I59-I63 WeakPolarHBondContact O-CG1 3.3Å; I59-I63 PolarHBondContact O-N 3.35Å; I63-S65 PolarHBondContact O-N 3.43Å; I63-L66 HydrophobicContact CD1-CD1 4.42Å; I63-L66 PolarHBondContact O-N 2.96Å; I63-R67 WeakPolarHBondContact O-CG 3.15Å; I63-R67 PolarHBondContact O-N 2.85Å; I63-P73 HydrophobicContact CD1-CG 4.22Å; I63-F75 HydrophobicContact CD1-CE2 3.75Å; I63-F75 HydrophobicContact CD1-CZ 3.92Å; I63-L136 HydrophobicContact CD1-CD2 4.04Å; I63-L136 HydrophobicContact CG1-CD2 4.39Å; I63-L139 HydrophobicContact CB-CD1 4.04Å; I63-L139 HydrophobicContact CG1-CD1 4.06Å; I63-L139 HydrophobicContact CG2-CD1 4.08Å; I63-V141 HydrophobicContact CD1-CG1 4.34Å; I63-V141 HydrophobicContact CD1-CG2 4.3Å; I63-V141 HydrophobicContact CG1-CG2 4.44Å; I63-V141 HydrophobicContact CG2-CG2 3.7Å
64N93.1Very high94.7Very high46 Ų4631.5 Ų31.525%0.24615%0.145CC..Hα-helixtrans-68.2-33.1177.6-73.8-22.3000113.1S60 R61 F62 R67 R68S60-N64 VanDerWaalsContact O-CB 3.3Å; S60-N64 WeakPolarHBondContact O-CB 3.38Å; S60-N64 PolarHBondContact O-N 2.79Å; S60-N64 PolarHBondContact O-ND2 2.96Å; R61-N64 PolarHBondContact O-N 3.47Å; F62-N64 VanDerWaalsContact C-N 3.33Å; F62-N64 PolarHBondContact O-N 3.24Å; N64-R67 PolarHBondContact O-N 3.22Å; N64-R68 WeakPolarHBondContact O-CB 3.46Å; N64-R68 VanDerWaalsContact O-CG 3.29Å; N64-R68 WeakPolarHBondContact O-CG 3.49Å; N64-R68 PolarHBondContact O-N 3.11Å
65S94.3Very high94.9Very high14 Ų1431.2 Ų31.210%0.09814%0.142CC..Hα-helixtrans-62.5-43.5170.4-71.10000112.1R61 F62 I63 R68 C69 F193R61-S65 PolarHBondContact O-N 2.84Å; R61-S65 PolarHBondContact O-OG 3.47Å; F62-S65 PolarHBondContact O-N 3.15Å; I63-S65 PolarHBondContact O-N 3.43Å; S65-R68 PolarHBondContact O-N 3.43Å; S65-C69 PolarHBondContact O-N 2.57Å; S65-F193 WeakPolarHBondContact CB-O 3.5Å; S65-F193 PolarHBondContact OG-O 2.82Å
66L95.9Very high95Very high1 Ų131.2 Ų31.21%0.00514%0.142CC..Hα-helixtrans-61.1-48.2175.1-68.6166.2000111.3F62 I63 R68 C69 N70 I71 P73 F193 L215F62-L66 WeakPolarHBondContact O-CG 3.45Å; F62-L66 PolarHBondContact O-N 2.82Å; F62-L66 VanDerWaalsContact O-N 3.09Å; I63-L66 HydrophobicContact CD1-CD1 4.42Å; I63-L66 PolarHBondContact O-N 2.96Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 3.12Å; L66-C69 CarbonylContact O-C 3.6Å; L66-C69 PolarHBondContact O-N 3.29Å; L66-C69 VanDerWaalsContact O-N 3.08Å; L66-N70 PolarHBondContact O-N 3.07Å; L66-I71 HydrophobicContact CB-CB 4.17Å; L66-I71 HydrophobicContact CD2-CB 4.18Å; L66-I71 HydrophobicContact CD2-CD1 3.79Å; L66-I71 HydrophobicContact CD2-CG2 3.93Å; L66-I71 WeakPolarHBondContact O-CB 3.18Å; L66-I71 PolarHBondContact O-N 3.07Å; L66-P73 HydrophobicContact CD1-CB 4.08Å; L66-P73 HydrophobicContact CD1-CG 3.97Å; L66-F193 HydrophobicContact CD2-CE1 4.19Å; L66-F193 HydrophobicContact CG-CE1 4.44Å; L66-L215 HydrophobicContact CD2-CD1 3.72Å
67R93.6Very high95.1Very high97 Ų9731.4 Ų31.437%0.36614%0.143SC..Hα-helixtrans-62-36.3178.5-74.6179.3167.8168.4-2.6113.6I63 N64 C69 N70 L139 N140I63-R67 WeakPolarHBondContact O-CG 3.15Å; I63-R67 PolarHBondContact O-N 2.85Å; N64-R67 PolarHBondContact O-N 3.22Å; R67-C69 PolarHBondContact O-N 2.89Å; R67-N70 WeakPolarHBondContact O-CA 3.38Å; R67-N70 PolarHBondContact O-N 3.26Å; R67-L139 VanDerWaalsContact CZ-O 3.23Å; R67-L139 PolarHBondContact NH1-O 3.23Å; R67-L139 PolarHBondContact NH2-O 3.25Å; R67-N140 PolarHBondContact NH2-O 2.86Å
68R92.8Very high94.9Very high156 Ų15632.3 Ų32.359%0.58915%0.145SC*.Hα-helixtrans-61.8-28.8174.2-79.1173.264.7109.40.4113N64 S65 L66 N70 P195N64-R68 WeakPolarHBondContact O-CB 3.46Å; N64-R68 VanDerWaalsContact O-CG 3.29Å; N64-R68 WeakPolarHBondContact O-CG 3.49Å; N64-R68 PolarHBondContact O-N 3.11Å; S65-R68 PolarHBondContact O-N 3.43Å; L66-R68 VanDerWaalsContact C-N 3.35Å; L66-R68 PolarHBondContact O-N 3.12Å; R68-N70 VanDerWaalsContact C-N 3.32Å; R68-P195 HydrophobicContact CB-CB 4.19Å; R68-P195 HydrophobicContact CB-CG 3.98Å
69C94.8Very high94.5Very high3 Ų332.7 Ų32.72%0.0215%0.153CC..THydrogen-bonded Turntrans-93.811.6174.5-57.50000112.8H23 N24 S65 L66 R67 I71 A213 Y214 L215H23-C69 VanDerWaalsContact CA-O 3.31Å; H23-C69 WeakPolarHBondContact CA-O 3.16Å; H23-C69 HydrophobicContact CB-CB 4.46Å; H23-C69 WeakPolarHBondContact CB-O 3.22Å; N24-C69 PolarHBondContact N-O 3.08Å; S65-C69 PolarHBondContact O-N 2.57Å; L66-C69 CarbonylContact O-C 3.6Å; L66-C69 PolarHBondContact O-N 3.29Å; L66-C69 VanDerWaalsContact O-N 3.08Å; R67-C69 PolarHBondContact O-N 2.89Å; C69-I71 VanDerWaalsContact C-N 3.25Å; C69-I71 HydrophobicContact CB-CD1 3.68Å; C69-I71 HydrophobicContact CB-CG1 3.99Å; C69-I71 PolarHBondContact O-N 3.35Å; C69-A213 WeakPolarHBondContact CA-O 3.44Å; C69-A213 WeakPolarHBondContact CB-O 3.48Å; C69-Y214 VanDerWaalsContact SG-CA 3.59Å; C69-L215 HydrophobicContact CB-CG 4.36Å; C69-L215 VanDerWaalsContact SG-CD2 3.56Å
70N94Very high93.5Very high75 Ų7537.2 Ų37.240%0.40118%0.183SC..THydrogen-bonded Turntrans52.342.1-175.6-165.651.6000112.7N24 T25 L66 R67 R68N24-N70 VanDerWaalsContact CA-O 3.27Å; N24-N70 WeakPolarHBondContact CA-O 3.11Å; N24-N70 PolarHBondContact N-O 3.23Å; N24-N70 VanDerWaalsContact OD1-CB 3.29Å; N24-N70 WeakPolarHBondContact OD1-CB 3.39Å; N24-N70 PolarHBondContact OD1-ND2 2.97Å; T25-N70 PolarHBondContact N-O 2.97Å; L66-N70 PolarHBondContact O-N 3.07Å; R67-N70 WeakPolarHBondContact O-CA 3.38Å; R67-N70 PolarHBondContact O-N 3.26Å; R68-N70 VanDerWaalsContact C-N 3.32Å
71I96.4Very high92.3Very high4 Ų439.9 Ų39.92%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-96.6129.9174.5-58.2159.4000108.5L22 T25 V27 L66 C69 P73 L215L22-I71 HydrophobicContact CB-CD1 4.43Å; L22-I71 HydrophobicContact CD2-CD1 3.79Å; L22-I71 HydrophobicContact CG-CD1 3.64Å; L22-I71 HydrophobicContact CG-CG1 4.18Å; T25-I71 CarbonylContact O-C 3.59Å; T25-I71 VanDerWaalsContact O-CA 3.25Å; T25-I71 WeakPolarHBondContact O-CA 3.19Å; V27-I71 HydrophobicContact CB-CG2 4.43Å; V27-I71 HydrophobicContact CG1-CG2 3.94Å; V27-I71 HydrophobicContact CG2-CG2 3.63Å; L66-I71 HydrophobicContact CB-CB 4.17Å; L66-I71 HydrophobicContact CD2-CB 4.18Å; L66-I71 HydrophobicContact CD2-CD1 3.79Å; L66-I71 HydrophobicContact CD2-CG2 3.93Å; L66-I71 WeakPolarHBondContact O-CB 3.18Å; L66-I71 PolarHBondContact O-N 3.07Å; C69-I71 VanDerWaalsContact C-N 3.25Å; C69-I71 HydrophobicContact CB-CD1 3.68Å; C69-I71 HydrophobicContact CB-CG1 3.99Å; C69-I71 PolarHBondContact O-N 3.35Å; I71-P73 WeakPolarHBondContact O-CD 3.43Å; I71-L215 HydrophobicContact CD1-CD1 3.88Å; I71-L215 HydrophobicContact CD1-CG 4Å
72N96.7Very high90.9Very high65 Ų6536.1 Ų36.135%0.34819%0.185SC..EExtended strand (participates in β ladder)trans-100.8103.1172.8-165.759.5000110.6T25 T26 V27 D142T25-N72 PolarHBondContact O-N 2.82Å; T26-N72 CarbonylContact C-O 3.6Å; T26-N72 VanDerWaalsContact CA-O 3.24Å; T26-N72 WeakPolarHBondContact CA-O 3.5Å; T26-N72 WeakPolarHBondContact CG2-O 3.12Å; V27-N72 PolarHBondContact N-O 2.68Å; N72-D142 PolarHBondContact ND2-OD2 3.24Å
73P97.8Very high89.6Confident1 Ų142 Ų421%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-80.5134.7177.232.2-32.8000111.6V27 I29 I63 L66 I71 F75 V141V27-P73 HydrophobicContact CG2-CB 4.12Å; I29-P73 HydrophobicContact CD1-CB 3.76Å; I29-P73 HydrophobicContact CG1-CB 4.46Å; I63-P73 HydrophobicContact CD1-CG 4.22Å; L66-P73 HydrophobicContact CD1-CB 4.08Å; L66-P73 HydrophobicContact CD1-CG 3.97Å; I71-P73 WeakPolarHBondContact O-CD 3.43Å; P73-F75 HydrophobicContact CB-CD2 4.48Å; P73-F75 HydrophobicContact CB-CE2 3.84Å; P73-F75 HydrophobicContact CB-CZ 4.19Å; P73-F75 HydrophobicContact CG-CE2 4.12Å; P73-V141 HydrophobicContact CG-CG1 3.93Å
74I98.3Very high88.3Confident27 Ų2745.8 Ų45.814%0.13823%0.227CC..EExtended strand (participates in β ladder)trans-114.1121.4164.7-55.1176000107T26 V27 I28 I29 D142 L161T26-I74 HydrophobicContact CG2-CD1 3.69Å; T26-I74 HydrophobicContact CG2-CG1 4.02Å; V27-I74 PolarHBondContact O-N 2.91Å; I28-I74 WeakPolarHBondContact CA-O 3.49Å; I28-I74 HydrophobicContact CD1-CB 3.87Å; I28-I74 HydrophobicContact CD1-CD1 4.06Å; I28-I74 HydrophobicContact CD1-CG1 4.41Å; I28-I74 HydrophobicContact CD1-CG2 4.33Å; I29-I74 PolarHBondContact N-O 2.71Å; I74-D142 WeakPolarHBondContact CA-O 3.34Å; I74-D142 HydrophobicContact CG1-CB 4.13Å; I74-D142 HydrophobicContact CG2-CB 4.3Å; I74-L161 HydrophobicContact CD1-CD1 3.67Å
75F98.3Very high87.4Confident0 Ų044.6 Ų44.60%022%0.22CC..EExtended strand (participates in β ladder)trans-93.9140.5179.2-68.1-84.9000111.8I29 F34 I63 P73 F132 L136 V141 D142 Y143 V144I29-F75 HydrophobicContact CB-CD1 3.66Å; I29-F75 HydrophobicContact CB-CE1 3.74Å; I29-F75 HydrophobicContact CB-CG 4.48Å; I29-F75 HydrophobicContact CD1-CD1 4.45Å; I29-F75 HydrophobicContact CD1-CE1 3.75Å; I29-F75 HydrophobicContact CD1-CZ 3.87Å; I29-F75 HydrophobicContact CG1-CD1 4.48Å; I29-F75 HydrophobicContact CG1-CE1 4.23Å; I29-F75 HydrophobicContact CG2-CD1 3.87Å; I29-F75 HydrophobicContact CG2-CE1 3.67Å; I29-F75 CarbonylContact O-C 3.5Å; I29-F75 WeakPolarHBondContact O-CA 3.27Å; F34-F75 HydrophobicContact CB-CE1 4.31Å; F34-F75 HydrophobicContact CD1-CD1 4.32Å; F34-F75 AromaticContact CD1-CE1 3.39Å; F34-F75 HydrophobicContact CD1-CE1 3.39Å; F34-F75 HydrophobicContact CD1-CZ 4.01Å; F34-F75 HydrophobicContact CD2-CE1 4.38Å; F34-F75 AromaticContact CE1-CE1 3.62Å; F34-F75 HydrophobicContact CE1-CE1 3.62Å; F34-F75 AromaticContact CE1-CZ 3.74Å; F34-F75 HydrophobicContact CE1-CZ 3.74Å; F34-F75 AromaticContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CG-CE1 3.79Å; F34-F75 HydrophobicContact CZ-CE1 4.25Å; F34-F75 HydrophobicContact CZ-CZ 4.22Å; I63-F75 HydrophobicContact CD1-CE2 3.75Å; I63-F75 HydrophobicContact CD1-CZ 3.92Å; P73-F75 HydrophobicContact CB-CD2 4.48Å; P73-F75 HydrophobicContact CB-CE2 3.84Å; P73-F75 HydrophobicContact CB-CZ 4.19Å; P73-F75 HydrophobicContact CG-CE2 4.12Å; F75-F132 HydrophobicContact CD1-CE1 4.25Å; F75-F132 AromaticContact CD1-CZ 3.8Å; F75-F132 HydrophobicContact CD1-CZ 3.8Å; F75-F132 HydrophobicContact CD2-CZ 4.49Å; F75-F132 AromaticContact CE1-CZ 3.79Å; F75-F132 HydrophobicContact CE1-CZ 3.79Å; F75-F132 HydrophobicContact CE2-CZ 4.47Å; F75-F132 HydrophobicContact CG-CE1 4.41Å; F75-F132 HydrophobicContact CG-CZ 4.16Å; F75-F132 HydrophobicContact CZ-CZ 4.13Å; F75-L136 HydrophobicContact CB-CD1 4.18Å; F75-L136 HydrophobicContact CD2-CD1 3.65Å; F75-L136 HydrophobicContact CD2-CD2 3.93Å; F75-L136 HydrophobicContact CD2-CG 4.47Å; F75-L136 HydrophobicContact CE2-CD1 4.28Å; F75-L136 HydrophobicContact CE2-CD2 3.72Å; F75-L136 HydrophobicContact CG-CD1 4Å; F75-L136 HydrophobicContact CZ-CD2 4.48Å; F75-V141 HydrophobicContact CD2-CG1 3.91Å; F75-V141 HydrophobicContact CE2-CG1 3.8Å; F75-D142 PolarHBondContact N-O 3.11Å; F75-Y143 CarbonylContact O-C 3.58Å; F75-Y143 WeakPolarHBondContact O-CA 3.38Å; F75-Y143 WeakPolarHBondContact O-CB 3.1Å; F75-V144 PolarHBondContact O-N 2.87Å
76V97.2Very high86.4Confident0 Ų048.1 Ų48.10%024%0.237CC..EExtended strand (participates in β ladder)trans-116.1126.9172.5-1710000108.5I28 I29 G31 V144 S146 A150 D153 V154 L157I28-V76 HydrophobicContact CG2-CG2 3.61Å; I29-V76 PolarHBondContact O-N 3.32Å; G31-V76 WeakPolarHBondContact CA-O 3.46Å; G31-V76 PolarHBondContact N-O 3.38Å; V76-V144 CarbonylContact C-O 3.51Å; V76-V144 WeakPolarHBondContact CA-O 3.13Å; V76-V144 HydrophobicContact CB-CG2 4.26Å; V76-V144 HydrophobicContact CG1-CG2 4.1Å; V76-V144 HydrophobicContact CG2-CG2 3.92Å; V76-S146 WeakPolarHBondContact CG1-OG 3.4Å; V76-A150 HydrophobicContact CB-CB 4.33Å; V76-A150 HydrophobicContact CG1-CB 3.73Å; V76-D153 HydrophobicContact CG1-CB 4.08Å; V76-V154 HydrophobicContact CB-CG2 3.52Å; V76-V154 HydrophobicContact CG1-CG2 3.97Å; V76-V154 HydrophobicContact CG2-CG2 3.69Å; V76-L157 HydrophobicContact CG2-CD1 3.83Å
77L95.1Very high85.4Confident5 Ų553.3 Ų53.33%0.02626%0.264CS..EExtended strand (participates in β ladder)trans-108.6139.5-178.1-61.7171000110.7L32 F132 I133 Y143 V144 T145 S146L32-L77 HydrophobicContact CD2-CD2 4.02Å; L32-L77 HydrophobicContact CG-CD2 4.36Å; L77-F132 HydrophobicContact CD2-CD1 4.46Å; L77-F132 HydrophobicContact CD2-CE1 4.34Å; L77-I133 HydrophobicContact CD1-CD1 3.92Å; L77-I133 HydrophobicContact CD1-CG1 3.88Å; L77-Y143 HydrophobicContact CD1-CD2 3.92Å; L77-Y143 HydrophobicContact CD1-CE2 4.44Å; L77-V144 PolarHBondContact N-O 3.24Å; L77-T145 HydrophobicContact CB-CG2 4.3Å; L77-T145 WeakPolarHBondContact O-CA 3.49Å; L77-S146 PolarHBondContact O-N 3.29Å
78D89.5Confident84.7Confident30 Ų3050.9 Ų50.916%0.1626%0.26CS..  trans-59.6142.9171.3-70.5-25.8000111.1L32 H81 A150L32-D78 HydrophobicContact CD1-CB 3.71Å; D78-H81 IonicContact OD2-NE2 3.66Å; D78-A150 VanDerWaalsContact OD1-CB 3.3Å; D78-A150 WeakPolarHBondContact OD1-CB 3.48Å; D78-A150 PolarHBondContact OD1-N 3.34Å
79G85.1Confident84.1Confident24 Ų2446 Ų4625%0.24725%0.245CC..  trans-102-130.9170.200000114.1S146 S148G79-S146 WeakPolarHBondContact CA-O 3.37Å; G79-S146 PolarHBondContact N-O 2.93Å; G79-S148 PolarHBondContact N-O 3.5Å
80C74.5Confident83.5Confident94 Ų9450.1 Ų50.164%0.63527%0.269SS*.PPolyproline II helixtrans-80.9117.7-177.7-78.50000110.9D147 S148C80-D147 PolarHBondContact N-O 3.44Å; C80-S148 VanDerWaalsContact O-CA 3.31Å; C80-S148 WeakPolarHBondContact O-CA 3.3Å; C80-S148 PolarHBondContact O-OG 3.36Å
81H69.3Low83Confident57 Ų5753.2 Ų53.226%0.26428%0.279SS..PPolyproline II helixtrans-75.8130.8-179.3-65.5102.6000112.9D78 K85 Q89D78-H81 IonicContact OD2-NE2 3.66Å; H81-K85 HydrophobicContact CB-CB 4.5Å; H81-K85 HydrophobicContact CB-CD 4.26Å; H81-K85 WeakPolarHBondContact CD2-CD 3.03Å; H81-K85 PolarHBondContact CD2-NZ 3.24Å; H81-K85 VanDerWaalsContact CD2-NZ 3.26Å; H81-K85 PolarHBondContact NE2-NZ 2.96Å; H81-Q89 PolarHBondContact ND1-NE2 3Å
82D62.8Low82.4Confident49 Ų4956.9 Ų56.926%0.26229%0.293SS..PPolyproline II helixtrans-63.6159.1176.2-65.5-51.4000114.1Y84 K85 S148D82-Y84 HydrophobicContact CB-CD1 3.58Å; D82-Y84 HydrophobicContact CB-CE1 3.1Å; D82-Y84 HydrophobicContact CB-CE2 4.35Å; D82-Y84 HydrophobicContact CB-CG 4.36Å; D82-Y84 PolarHBondContact O-N 2.88Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD2-CE1 3.47Å; D82-Y84 PolarHBondContact OD2-OH 3.11Å; D82-K85 PolarHBondContact O-N 3.19Å; D82-S148 PolarHBondContact OD2-OG 2.82Å
83H67.6Low81.8Confident134 Ų13457.5 Ų57.562%0.6230%0.296SS*.G310 helixtrans-56.1-30.9-178-74.3-58.9000114.6K85 L86H83-K85 VanDerWaalsContact C-N 3.31Å; H83-K85 PolarHBondContact O-N 3.29Å; H83-L86 WeakPolarHBondContact O-CB 3.17Å; H83-L86 PolarHBondContact O-N 3.16Å
84Y68Low81.4Confident79 Ų7962.3 Ų62.331%0.3132%0.318SS..G310 helixtrans-66.5-30.4177.858-97.9000112.6D82 L86D82-Y84 HydrophobicContact CB-CD1 3.58Å; D82-Y84 HydrophobicContact CB-CE1 3.1Å; D82-Y84 HydrophobicContact CB-CE2 4.35Å; D82-Y84 HydrophobicContact CB-CG 4.36Å; D82-Y84 PolarHBondContact O-N 2.88Å; D82-Y84 VanDerWaalsContact O-N 3.13Å; D82-Y84 WeakPolarHBondContact OD2-CE1 3.47Å; D82-Y84 PolarHBondContact OD2-OH 3.11Å; Y84-L86 PolarHBondContact O-N 3.11Å
85K72.7Confident80.9Confident22 Ų2265.8 Ų65.810%0.09633%0.334CS..G310 helixtrans-76.1-8.4177.2-149.3-171.2-150.6151.20113.1H81 D82 H83 N87 T88 Q89 E149H81-K85 HydrophobicContact CB-CB 4.5Å; H81-K85 HydrophobicContact CB-CD 4.26Å; H81-K85 WeakPolarHBondContact CD2-CD 3.03Å; H81-K85 PolarHBondContact CD2-NZ 3.24Å; H81-K85 VanDerWaalsContact CD2-NZ 3.26Å; H81-K85 PolarHBondContact NE2-NZ 2.96Å; D82-K85 PolarHBondContact O-N 3.19Å; H83-K85 VanDerWaalsContact C-N 3.31Å; H83-K85 PolarHBondContact O-N 3.29Å; K85-N87 VanDerWaalsContact C-N 3.32Å; K85-N87 PolarHBondContact O-N 3.02Å; K85-T88 HydrophobicContact CG-CG2 4.31Å; K85-T88 CarbonylContact O-C 3.56Å; K85-T88 WeakPolarHBondContact O-CA 3.09Å; K85-T88 WeakPolarHBondContact O-CB 3.28Å; K85-T88 PolarHBondContact O-N 3.44Å; K85-Q89 PolarHBondContact O-N 3.11Å; K85-E149 WeakPolarHBondContact CD-OE1 3.37Å; K85-E149 WeakPolarHBondContact CE-OE1 3.35Å; K85-E149 IonicContact NZ-OE1 2.7Å; K85-E149 PolarHBondContact NZ-OE1 3.1Å; K85-E149 IonicContact NZ-OE2 3.85Å
86L73.8Confident80.5Confident87 Ų8771.5 Ų71.546%0.45536%0.355SS..Hα-helixtrans-54.8-43.8-176.5-178.862.3000112.5H83 Y84 T88 Q89 V90H83-L86 WeakPolarHBondContact O-CB 3.17Å; H83-L86 PolarHBondContact O-N 3.16Å; Y84-L86 PolarHBondContact O-N 3.11Å; L86-T88 VanDerWaalsContact C-N 3.33Å; L86-T88 PolarHBondContact O-N 3.16Å; L86-Q89 PolarHBondContact O-N 3.25Å; L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.38Å; L86-V90 WeakPolarHBondContact O-CB 3.3Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.45Å; L86-V90 PolarHBondContact O-N 3.4Å
87N75.9Confident80.1Confident110 Ų11076.5 Ų76.559%0.58838%0.38SS*.Hα-helixtrans-58.6-45.6176.3-75.3-19000111.7K85 V90 K91K85-N87 VanDerWaalsContact C-N 3.32Å; K85-N87 PolarHBondContact O-N 3.02Å; N87-V90 PolarHBondContact O-N 3Å; N87-K91 VanDerWaalsContact O-CB 3.25Å; N87-K91 WeakPolarHBondContact O-CB 3.46Å; N87-K91 PolarHBondContact O-N 3.18Å
88T77.5Confident79.9Confident46 Ų4680.8 Ų80.828%0.28240%0.4SS..Hα-helixtrans-65-41176.9-75.30000111.8K85 L86 K91 R92K85-T88 HydrophobicContact CG-CG2 4.31Å; K85-T88 CarbonylContact O-C 3.56Å; K85-T88 WeakPolarHBondContact O-CA 3.09Å; K85-T88 WeakPolarHBondContact O-CB 3.28Å; K85-T88 PolarHBondContact O-N 3.44Å; L86-T88 VanDerWaalsContact C-N 3.33Å; L86-T88 PolarHBondContact O-N 3.16Å; T88-K91 PolarHBondContact O-N 3.05Å; T88-R92 HydrophobicContact CG2-CG 4.48Å; T88-R92 WeakPolarHBondContact O-CB 3.43Å; T88-R92 VanDerWaalsContact O-CG 3.25Å; T88-R92 WeakPolarHBondContact O-CG 3.19Å; T88-R92 PolarHBondContact O-N 3.04Å
89Q81.1Confident80Confident55 Ų5581.4 Ų81.426%0.25741%0.405SS..Hα-helixtrans-63.9-47.2174.7-70.8-173.7-22.200112.6H81 K85 L86 K91 R92 N93H81-Q89 PolarHBondContact ND1-NE2 3Å; K85-Q89 PolarHBondContact O-N 3.11Å; L86-Q89 PolarHBondContact O-N 3.25Å; Q89-K91 VanDerWaalsContact C-N 3.3Å; Q89-K91 PolarHBondContact O-N 2.67Å; Q89-R92 PolarHBondContact O-N 3.17Å; Q89-N93 WeakPolarHBondContact O-CB 3.42Å; Q89-N93 PolarHBondContact O-N 2.87Å; Q89-N93 PolarHBondContact O-ND2 3.26Å
90V81.3Confident80.2Confident88 Ų8882.4 Ų82.453%0.53341%0.408SS..Hα-helixtrans-59.8-43.3177.5169.80000110.2L86 N87 N93 H94L86-V90 HydrophobicContact CD1-CG2 4.12Å; L86-V90 HydrophobicContact CG-CG2 4.38Å; L86-V90 WeakPolarHBondContact O-CB 3.3Å; L86-V90 VanDerWaalsContact O-CG2 3.31Å; L86-V90 WeakPolarHBondContact O-CG2 3.45Å; L86-V90 PolarHBondContact O-N 3.4Å; N87-V90 PolarHBondContact O-N 3Å; V90-N93 PolarHBondContact O-N 3.22Å; V90-H94 WeakPolarHBondContact O-CB 3.41Å; V90-H94 PolarHBondContact O-N 3.19Å
91K84.2Confident81Confident141 Ų14185.5 Ų85.561%0.61341%0.406SS*.Hα-helixtrans-62.6-45.8175.4-172.7176.5-176.2175.40112.5N87 T88 Q89 H94 Q95N87-K91 VanDerWaalsContact O-CB 3.25Å; N87-K91 WeakPolarHBondContact O-CB 3.46Å; N87-K91 PolarHBondContact O-N 3.18Å; T88-K91 PolarHBondContact O-N 3.05Å; Q89-K91 VanDerWaalsContact C-N 3.3Å; Q89-K91 PolarHBondContact O-N 2.67Å; K91-H94 PolarHBondContact O-N 2.96Å; K91-Q95 WeakPolarHBondContact O-CG 3.31Å; K91-Q95 PolarHBondContact O-N 3.33Å
92R83.5Confident82Confident80 Ų8087.6 Ų87.630%0.30242%0.419SS..Hα-helixtrans-61.5-43.1174.3-73.8173-175.6-178.32.9111.3T88 Q89 Q95 R96T88-R92 HydrophobicContact CG2-CG 4.48Å; T88-R92 WeakPolarHBondContact O-CB 3.43Å; T88-R92 VanDerWaalsContact O-CG 3.25Å; T88-R92 WeakPolarHBondContact O-CG 3.19Å; T88-R92 PolarHBondContact O-N 3.04Å; Q89-R92 PolarHBondContact O-N 3.17Å; R92-Q95 WeakPolarHBondContact O-CB 3.18Å; R92-Q95 PolarHBondContact O-N 3.22Å; R92-R96 WeakPolarHBondContact O-CG 3.45Å; R92-R96 PolarHBondContact O-N 2.81Å
93N85Confident83.4Confident79 Ų7985.8 Ų85.842%0.42241%0.409SS..Hα-helixtrans-66.9-38.9177.1-76.4-26.1000112.3Q89 V90 Q95 R96 M97Q89-N93 WeakPolarHBondContact O-CB 3.42Å; Q89-N93 PolarHBondContact O-N 2.87Å; Q89-N93 PolarHBondContact O-ND2 3.26Å; V90-N93 PolarHBondContact O-N 3.22Å; N93-Q95 PolarHBondContact O-N 3.23Å; N93-R96 PolarHBondContact O-N 2.81Å; N93-M97 WeakPolarHBondContact O-CG 3.28Å; N93-M97 PolarHBondContact O-N 3.35Å
94H88.4Confident84.4Confident102 Ų10283.4 Ų83.447%0.47240%0.4SS..Hα-helixtrans-61.9-41.8172.4-176.4-93000111.8V90 K91 M97 Q98V90-H94 WeakPolarHBondContact O-CB 3.41Å; V90-H94 PolarHBondContact O-N 3.19Å; K91-H94 PolarHBondContact O-N 2.96Å; H94-M97 WeakPolarHBondContact O-CB 3.31Å; H94-M97 PolarHBondContact O-N 2.87Å; H94-Q98 VanDerWaalsContact CE1-CD 3.48Å; H94-Q98 PolarHBondContact CE1-NE2 2.89Å; H94-Q98 VanDerWaalsContact CE1-NE2 3.32Å; H94-Q98 WeakPolarHBondContact O-CG 3.45Å; H94-Q98 PolarHBondContact O-N 2.91Å
95Q88.8Confident85.5Confident99 Ų9983.7 Ų83.746%0.46341%0.407SS..Hα-helixtrans-60.8-46173.2-72.1169.3-29.200111.8K91 R92 N93 M97 Q98 T99K91-Q95 WeakPolarHBondContact O-CG 3.31Å; K91-Q95 PolarHBondContact O-N 3.33Å; R92-Q95 WeakPolarHBondContact O-CB 3.18Å; R92-Q95 PolarHBondContact O-N 3.22Å; N93-Q95 PolarHBondContact O-N 3.23Å; Q95-M97 VanDerWaalsContact C-N 3.31Å; Q95-M97 PolarHBondContact O-N 3.39Å; Q95-Q98 WeakPolarHBondContact O-CB 3.31Å; Q95-Q98 PolarHBondContact O-N 3.1Å; Q95-T99 PolarHBondContact O-N 3.04Å; Q95-T99 PolarHBondContact O-OG1 3.04Å
96R89.1Confident86.4Confident120 Ų12085.5 Ų85.545%0.45342%0.416SS..Hα-helixtrans-57.6-42.9174.4-67.3169.580.8-176.710.4111.6R92 N93 Q98 T99 C100 L123R92-R96 WeakPolarHBondContact O-CG 3.45Å; R92-R96 PolarHBondContact O-N 2.81Å; N93-R96 PolarHBondContact O-N 2.81Å; R96-Q98 PolarHBondContact O-N 2.97Å; R96-T99 PolarHBondContact O-N 2.97Å; R96-C100 PolarHBondContact O-N 2.89Å; R96-C100 PolarHBondContact O-SG 3.36Å; R96-C100 VanDerWaalsContact O-SG 3.35Å; R96-L123 HydrophobicContact CB-CD1 3.93Å; R96-L123 HydrophobicContact CG-CD1 3.81Å; R96-L123 VanDerWaalsContact NE-CD1 3.29Å
97M89.2Confident87.2Confident105 Ų10582.8 Ų82.852%0.51740%0.402SS..Hα-helixtrans-63.6-36.9174.3-72.2177.872.200113N93 H94 Q95 C100 R101N93-M97 WeakPolarHBondContact O-CG 3.28Å; N93-M97 PolarHBondContact O-N 3.35Å; H94-M97 WeakPolarHBondContact O-CB 3.31Å; H94-M97 PolarHBondContact O-N 2.87Å; Q95-M97 VanDerWaalsContact C-N 3.31Å; Q95-M97 PolarHBondContact O-N 3.39Å; M97-C100 PolarHBondContact O-N 2.77Å; M97-R101 WeakPolarHBondContact O-CG 3.31Å; M97-R101 PolarHBondContact O-N 2.96Å
98Q91.9Very high87.7Confident95 Ų9585.6 Ų85.644%0.44441%0.408SS..Hα-helixtrans-64.3-44.4173.7-72.3174.8-46.200111.3H94 Q95 R96 C100 R101 L102H94-Q98 VanDerWaalsContact CE1-CD 3.48Å; H94-Q98 PolarHBondContact CE1-NE2 2.89Å; H94-Q98 VanDerWaalsContact CE1-NE2 3.32Å; H94-Q98 WeakPolarHBondContact O-CG 3.45Å; H94-Q98 PolarHBondContact O-N 2.91Å; Q95-Q98 WeakPolarHBondContact O-CB 3.31Å; Q95-Q98 PolarHBondContact O-N 3.1Å; R96-Q98 PolarHBondContact O-N 2.97Å; Q98-C100 PolarHBondContact O-N 2.94Å; Q98-R101 WeakPolarHBondContact O-CB 3.19Å; Q98-R101 PolarHBondContact O-N 3.08Å; Q98-R101 VanDerWaalsContact O-N 3.12Å; Q98-L102 WeakPolarHBondContact O-CG 3.43Å; Q98-L102 PolarHBondContact O-N 3.2Å
99T90.8Very high88.2Confident43 Ų4388.7 Ų88.726%0.26442%0.423SS..Hα-helixtrans-57.8-45.9174.4-56.50000111.7Q95 R96 R101 L102 L103 I121Q95-T99 PolarHBondContact O-N 3.04Å; Q95-T99 PolarHBondContact O-OG1 3.04Å; R96-T99 PolarHBondContact O-N 2.97Å; T99-R101 VanDerWaalsContact C-N 3.34Å; T99-R101 PolarHBondContact O-N 3.04Å; T99-L102 PolarHBondContact O-N 3.19Å; T99-L103 PolarHBondContact O-N 3.31Å; T99-I121 HydrophobicContact CG2-CB 3.79Å; T99-I121 HydrophobicContact CG2-CG2 3.83Å
100C89.6Confident88.1Confident46 Ų4689.8 Ų89.831%0.31143%0.428SS..Hα-helixtrans-60.2-41.2174.1-65.70000112.5R96 M97 Q98 L102 L103 L104R96-C100 PolarHBondContact O-N 2.89Å; R96-C100 PolarHBondContact O-SG 3.36Å; R96-C100 VanDerWaalsContact O-SG 3.35Å; M97-C100 PolarHBondContact O-N 2.77Å; Q98-C100 PolarHBondContact O-N 2.94Å; C100-L102 VanDerWaalsContact C-N 3.34Å; C100-L102 PolarHBondContact O-N 3.23Å; C100-L103 PolarHBondContact O-N 3.36Å; C100-L104 VanDerWaalsContact O-CG 3.27Å; C100-L104 WeakPolarHBondContact O-CG 3.29Å; C100-L104 PolarHBondContact O-N 3.15Å
101R90.8Very high88.1Confident158 Ų15894 Ų9460%0.59644%0.44SS*.Hα-helixtrans-64.9-35.9176.6-74174.967.3169.62.1112.6M97 Q98 T99 N105M97-R101 WeakPolarHBondContact O-CG 3.31Å; M97-R101 PolarHBondContact O-N 2.96Å; Q98-R101 WeakPolarHBondContact O-CB 3.19Å; Q98-R101 PolarHBondContact O-N 3.08Å; Q98-R101 VanDerWaalsContact O-N 3.12Å; T99-R101 VanDerWaalsContact C-N 3.34Å; T99-R101 PolarHBondContact O-N 3.04Å; R101-N105 VanDerWaalsContact O-CG 3.25Å; R101-N105 PolarHBondContact O-N 3.29Å; R101-N105 PolarHBondContact O-ND2 2.86Å
102L91Very high88.3Confident102 Ų10289.8 Ų89.853%0.53442%0.423SS..Hα-helixtrans-65.2-47.1174.1-69.4171.7000111Q98 T99 C100 L104 N105 H106Q98-L102 WeakPolarHBondContact O-CG 3.43Å; Q98-L102 PolarHBondContact O-N 3.2Å; T99-L102 PolarHBondContact O-N 3.19Å; C100-L102 VanDerWaalsContact C-N 3.34Å; C100-L102 PolarHBondContact O-N 3.23Å; L102-L104 PolarHBondContact O-N 3.37Å; L102-N105 WeakPolarHBondContact O-CB 3.45Å; L102-N105 PolarHBondContact O-N 2.85Å; L102-H106 PolarHBondContact O-CD2 2.69Å; L102-H106 PolarHBondContact O-N 3.18Å
103L90.4Very high88.5Confident11 Ų1188.9 Ų88.96%0.05843%0.43CS..Hα-helixtrans-56.4-47.9174.5177.160.1000111.9Q47 T99 C100 N105 H106 I107 Y119 I121 L431 I433Q47-L103 HydrophobicContact CB-CD2 4.41Å; T99-L103 PolarHBondContact O-N 3.31Å; C100-L103 PolarHBondContact O-N 3.36Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.18Å; L103-H106 PolarHBondContact O-N 3.19Å; L103-H106 VanDerWaalsContact O-N 3.12Å; L103-I107 HydrophobicContact CD1-CD1 3.82Å; L103-I107 HydrophobicContact CD1-CG1 4.09Å; L103-I107 HydrophobicContact CG-CD1 3.81Å; L103-I107 HydrophobicContact CG-CG1 4.48Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 2.7Å; L103-Y119 HydrophobicContact CD1-CD1 3.88Å; L103-Y119 HydrophobicContact CD1-CG 4.14Å; L103-I121 HydrophobicContact CB-CG2 4.1Å; L103-I121 HydrophobicContact CD2-CD1 3.83Å; L103-I121 HydrophobicContact CD2-CG1 4.46Å; L103-I121 HydrophobicContact CD2-CG2 4.34Å; L103-L431 HydrophobicContact CD1-CD2 4.23Å; L103-I433 HydrophobicContact CD2-CD1 4.42Å
104L90.4Very high88.7Confident84 Ų8485.4 Ų85.444%0.4441%0.411SS..Hα-helixtrans-58-41.4177-71.5168.8000112.5C100 L102 K108 I433C100-L104 VanDerWaalsContact O-CG 3.27Å; C100-L104 WeakPolarHBondContact O-CG 3.29Å; C100-L104 PolarHBondContact O-N 3.15Å; L102-L104 PolarHBondContact O-N 3.37Å; L104-K108 WeakPolarHBondContact O-CB 3.4Å; L104-K108 PolarHBondContact O-N 2.69Å; L104-I433 HydrophobicContact CD2-CB 4.44Å; L104-I433 HydrophobicContact CD2-CG1 4Å; L104-I433 HydrophobicContact CD2-CG2 3.99Å
105N91.2Very high88.8Confident85 Ų8582.9 Ų82.946%0.45540%0.401SS..Hα-helixtrans-65.5-41.4175.3-72.5-22.7000111.8R101 L102 L103 K108 N109R101-N105 VanDerWaalsContact O-CG 3.25Å; R101-N105 PolarHBondContact O-N 3.29Å; R101-N105 PolarHBondContact O-ND2 2.86Å; L102-N105 WeakPolarHBondContact O-CB 3.45Å; L102-N105 PolarHBondContact O-N 2.85Å; L103-N105 VanDerWaalsContact C-N 3.31Å; L103-N105 PolarHBondContact O-N 3.18Å; N105-K108 PolarHBondContact O-N 2.73Å; N105-N109 VanDerWaalsContact O-CB 3.28Å; N105-N109 WeakPolarHBondContact O-CB 3.42Å; N105-N109 PolarHBondContact O-N 3.23Å; N105-N109 PolarHBondContact O-ND2 3.01Å
106H91.2Very high89Confident60 Ų6081.2 Ų81.228%0.27839%0.393SS..Hα-helixtrans-63.1-44.8176.9-72.4-58.4000112L102 L103 K108 N109 H110 Y119L102-H106 PolarHBondContact O-CD2 2.69Å; L102-H106 PolarHBondContact O-N 3.18Å; L103-H106 PolarHBondContact O-N 3.19Å; L103-H106 VanDerWaalsContact O-N 3.12Å; H106-K108 PolarHBondContact O-N 3.46Å; H106-N109 PolarHBondContact O-N 3Å; H106-H110 AromaticContact ND1-CD2 3.94Å; H106-H110 AromaticContact ND1-NE2 3.95Å; H106-H110 WeakPolarHBondContact O-CB 3.33Å; H106-H110 PolarHBondContact O-CD2 3.24Å; H106-H110 VanDerWaalsContact O-CD2 3.3Å; H106-H110 PolarHBondContact O-N 2.85Å; H106-Y119 HydrophobicContact CB-CD1 4.18Å; H106-Y119 HydrophobicContact CB-CE1 4.08Å
107I89Confident89Confident30 Ų3078.8 Ų78.815%0.15439%0.394CS..Hα-helixtrans-64.5-40.2177.9-63.9167.2000111.3L103 Y119 L431 I433L103-I107 HydrophobicContact CD1-CD1 3.82Å; L103-I107 HydrophobicContact CD1-CG1 4.09Å; L103-I107 HydrophobicContact CG-CD1 3.81Å; L103-I107 HydrophobicContact CG-CG1 4.48Å; L103-I107 WeakPolarHBondContact O-CG1 3.37Å; L103-I107 PolarHBondContact O-N 2.7Å; I107-Y119 HydrophobicContact CB-CE1 4.38Å; I107-Y119 HydrophobicContact CG1-CD1 3.93Å; I107-Y119 HydrophobicContact CG1-CE1 3.62Å; I107-L431 HydrophobicContact CD1-CB 4.22Å; I107-L431 HydrophobicContact CD1-CD2 3.64Å; I107-L431 HydrophobicContact CD1-CG 4.03Å; I107-L431 HydrophobicContact CG1-CB 4.32Å; I107-L431 HydrophobicContact CG1-CD2 4.09Å; I107-I433 HydrophobicContact CD1-CD1 3.46Å; I107-I433 VanDerWaalsContact CD1-CD1 3.46Å; I107-I433 HydrophobicContact CD1-CG1 3.47Å; I107-I433 VanDerWaalsContact CD1-CG1 3.47Å
108K88Confident89Confident168 Ų16877.5 Ų77.573%0.7339%0.389SS*.Hα-helixtrans-65.9-41177.9-175.3179.6178.9-1790112.4L104 N105 H106L104-K108 WeakPolarHBondContact O-CB 3.4Å; L104-K108 PolarHBondContact O-N 2.69Å; N105-K108 PolarHBondContact O-N 2.73Å; H106-K108 PolarHBondContact O-N 3.46Å
109N88Confident89Confident111 Ų11173 Ų7359%0.59437%0.368SS*.Hα-helixtrans-88.2-27.8-172.4-65.5-15000113.2N105 H106N105-N109 VanDerWaalsContact O-CB 3.28Å; N105-N109 WeakPolarHBondContact O-CB 3.42Å; N105-N109 PolarHBondContact O-N 3.23Å; N105-N109 PolarHBondContact O-ND2 3.01Å; H106-N109 PolarHBondContact O-N 3Å
110H78.9Confident88.8Confident79 Ų7974.9 Ų74.937%0.36638%0.376SS..  trans-125118.3-176.8-46.8-79.7000109.6H106 L112 Y119H106-H110 AromaticContact ND1-CD2 3.94Å; H106-H110 AromaticContact ND1-NE2 3.95Å; H106-H110 WeakPolarHBondContact O-CB 3.33Å; H106-H110 PolarHBondContact O-CD2 3.24Å; H106-H110 VanDerWaalsContact O-CD2 3.3Å; H106-H110 PolarHBondContact O-N 2.85Å; H110-L112 HydrophobicContact CB-CD1 3.51Å; H110-L112 HydrophobicContact CB-CG 3.69Å; H110-L112 PolarHBondContact O-N 3.44Å; H110-Y119 PolarHBondContact O-OH 3.36Å
111K81.5Confident88.7Confident177 Ų17774 Ų7477%0.7737%0.368SS*.  trans-85.157.6177.8-65.4-178.2-179.7177.70111.4T430K111-T430 HydrophobicContact CB-CG2 4.22Å
112L87.7Confident88.6Confident51 Ų5174.5 Ų74.527%0.26738%0.377SS..  trans-88.2165.6-172.8-59.7165.7000112.5H110 H116 L118 Y119H110-L112 HydrophobicContact CB-CD1 3.51Å; H110-L112 HydrophobicContact CB-CG 3.69Å; H110-L112 PolarHBondContact O-N 3.44Å; L112-H116 HydrophobicContact CB-CB 3.9Å; L112-H116 HydrophobicContact CD1-CB 4.45Å; L112-L118 HydrophobicContact CD1-CD1 3.85Å; L112-Y119 HydrophobicContact CB-CE2 4.14Å; L112-Y119 PolarHBondContact N-OH 3.31Å
113S88.5Confident88.5Confident62 Ų6271.1 Ų71.143%0.43436%0.36SS..  trans-51.6143.2171.3-179.40000111.4I115 H116 Y119S113-I115 PolarHBondContact O-N 3.48Å; S113-H116 VanDerWaalsContact O-CB 3.24Å; S113-H116 WeakPolarHBondContact O-CB 3.4Å; S113-H116 PolarHBondContact O-N 2.96Å; S113-Y119 VanDerWaalsContact O-CE2 3.23Å; S113-Y119 WeakPolarHBondContact O-CE2 3.28Å
114P88.9Confident88.6Confident5 Ų572 Ų723%0.03236%0.364CS..THydrogen-bonded Turntrans-59.9-24.7-176.4-21.933000114.2F48 N429 L431F48-P114 HydrophobicContact CE1-CB 3.91Å; F48-P114 HydrophobicContact CZ-CB 3.68Å; F48-P114 WeakPolarHBondContact CZ-O 3.29Å; P114-N429 WeakPolarHBondContact CD-O 3.41Å; P114-N429 VanDerWaalsContact CG-OD1 3.23Å; P114-N429 WeakPolarHBondContact CG-OD1 3.18Å; P114-L431 HydrophobicContact CB-CB 4.38Å; P114-L431 HydrophobicContact CB-CD1 4Å
115I90.8Very high88.8Confident50 Ų5068.1 Ų68.126%0.25634%0.344SS..THydrogen-bonded Turntrans-96.713.3179.560.7167.4000113.5Y45 F48 S113 Y486Y45-I115 HydrophobicContact CE1-CB 4.37Å; Y45-I115 HydrophobicContact CE1-CG2 4.37Å; Y45-I115 HydrophobicContact CE2-CG2 4.17Å; F48-I115 HydrophobicContact CE2-CG2 4.24Å; F48-I115 HydrophobicContact CZ-CG2 4.26Å; S113-I115 PolarHBondContact O-N 3.48Å; I115-Y486 HydrophobicContact CG2-CD2 3.91Å; I115-Y486 HydrophobicContact CG2-CE2 3.56Å
116H91.4Very high88.8Confident64 Ų6466.8 Ų66.830%0.29634%0.34SS..  trans-66.2137.6179.4-168-80.2000111.2L112 S113 L118 Y119L112-H116 HydrophobicContact CB-CB 3.9Å; L112-H116 HydrophobicContact CD1-CB 4.45Å; S113-H116 VanDerWaalsContact O-CB 3.24Å; S113-H116 WeakPolarHBondContact O-CB 3.4Å; S113-H116 PolarHBondContact O-N 2.96Å; H116-L118 VanDerWaalsContact C-N 3.26Å; H116-L118 WeakPolarHBondContact ND1-CB 3.42Å; H116-L118 PolarHBondContact ND1-N 3.21Å; H116-L118 PolarHBondContact O-N 3.28Å; H116-L118 VanDerWaalsContact O-N 3.14Å; H116-Y119 HydrophobicContact CB-CD2 4.21Å; H116-Y119 HydrophobicContact CB-CE2 4.34Å; H116-Y119 WeakPolarHBondContact O-CB 3.46Å; H116-Y119 PolarHBondContact O-N 3.3Å
117S89.3Confident89Confident68 Ų6864 Ų6448%0.47633%0.327SS..G310 helixtrans-56.7-34.4-173.254.60000114.2Y119 N120S117-Y119 PolarHBondContact O-N 3.45Å; S117-N120 WeakPolarHBondContact O-CB 3.37Å; S117-N120 PolarHBondContact O-N 3.01Å
118L89.9Confident89.3Confident79 Ų7962.6 Ų62.641%0.41432%0.32SS..G310 helixtrans-56.1-15.5171.9-70.4172.8000115.2L112 H116L112-L118 HydrophobicContact CD1-CD1 3.85Å; H116-L118 VanDerWaalsContact C-N 3.26Å; H116-L118 WeakPolarHBondContact ND1-CB 3.42Å; H116-L118 PolarHBondContact ND1-N 3.21Å; H116-L118 PolarHBondContact O-N 3.28Å; H116-L118 VanDerWaalsContact O-N 3.14Å
119Y90.9Very high89.6Confident1 Ų156.9 Ų56.90%0.00430%0.299CS..G310 helixtrans-98.2-8.9175.5-57.4-30.1000113.6Q47 L103 H106 I107 H110 L112 S113 H116 S117 I121 L431Q47-Y119 WeakPolarHBondContact CB-O 3.33Å; L103-Y119 HydrophobicContact CD1-CD1 3.88Å; L103-Y119 HydrophobicContact CD1-CG 4.14Å; H106-Y119 HydrophobicContact CB-CD1 4.18Å; H106-Y119 HydrophobicContact CB-CE1 4.08Å; I107-Y119 HydrophobicContact CB-CE1 4.38Å; I107-Y119 HydrophobicContact CG1-CD1 3.93Å; I107-Y119 HydrophobicContact CG1-CE1 3.62Å; H110-Y119 PolarHBondContact O-OH 3.36Å; L112-Y119 HydrophobicContact CB-CE2 4.14Å; L112-Y119 PolarHBondContact N-OH 3.31Å; S113-Y119 VanDerWaalsContact O-CE2 3.23Å; S113-Y119 WeakPolarHBondContact O-CE2 3.28Å; H116-Y119 HydrophobicContact CB-CD2 4.21Å; H116-Y119 HydrophobicContact CB-CE2 4.34Å; H116-Y119 WeakPolarHBondContact O-CB 3.46Å; H116-Y119 PolarHBondContact O-N 3.3Å; S117-Y119 PolarHBondContact O-N 3.45Å; Y119-I121 PolarHBondContact O-N 3.15Å; Y119-L431 HydrophobicContact CD1-CD2 4.45Å; Y119-L431 HydrophobicContact CD2-CB 4.08Å; Y119-L431 HydrophobicContact CD2-CD2 3.63Å; Y119-L431 HydrophobicContact CD2-CG 4.46Å; Y119-L431 HydrophobicContact CE2-CB 3.93Å; Y119-L431 HydrophobicContact CE2-CD2 4.26Å; Y119-L431 HydrophobicContact CG-CD2 3.73Å
120N87.5Confident89.9Confident81 Ų8152.8 Ų52.843%0.43328%0.277SS..  trans-67.7127.5175-69.90.7000108.9Q47 S117Q47-N120 PolarHBondContact NE2-OD1 2.88Å; Q47-N120 PolarHBondContact OE1-OD1 3.37Å; S117-N120 WeakPolarHBondContact O-CB 3.37Å; S117-N120 PolarHBondContact O-N 3.01Å
121I88.1Confident90.7Very high28 Ų2849 Ų4914%0.14426%0.26CS..  trans-127.5143.7-179.154.8167000111.1A46 T99 L103 Y119 L123A46-I121 HydrophobicContact CB-CG1 4.26Å; A46-I121 VanDerWaalsContact CB-O 3.22Å; A46-I121 WeakPolarHBondContact CB-O 3.46Å; T99-I121 HydrophobicContact CG2-CB 3.79Å; T99-I121 HydrophobicContact CG2-CG2 3.83Å; L103-I121 HydrophobicContact CB-CG2 4.1Å; L103-I121 HydrophobicContact CD2-CD1 3.83Å; L103-I121 HydrophobicContact CD2-CG1 4.46Å; L103-I121 HydrophobicContact CD2-CG2 4.34Å; Y119-I121 PolarHBondContact O-N 3.15Å; I121-L123 HydrophobicContact CD1-CB 3.69Å; I121-L123 HydrophobicContact CD1-CD2 3.98Å; I121-L123 HydrophobicContact CD1-CG 4.49Å; I121-L123 HydrophobicContact CG1-CB 4.1Å; I121-L123 PolarHBondContact O-N 3.25Å
122E86.9Confident91.4Very high168 Ų16840.6 Ų40.679%0.78522%0.223SC*.  trans-80.563.2172.2-66.5175.1-175.600110.2F40F40-E122 HydrophobicContact CE1-CB 4.32Å; F40-E122 HydrophobicContact CZ-CB 4.48Å
123L90.2Very high91.8Very high32 Ų3239.9 Ų39.917%0.16822%0.219CC..  trans-124.9115.6175.6-176.667.2000109.8A46 R96 I121 P125A46-L123 WeakPolarHBondContact CB-O 3.14Å; R96-L123 HydrophobicContact CB-CD1 3.93Å; R96-L123 HydrophobicContact CG-CD1 3.81Å; R96-L123 VanDerWaalsContact NE-CD1 3.29Å; I121-L123 HydrophobicContact CD1-CB 3.69Å; I121-L123 HydrophobicContact CD1-CD2 3.98Å; I121-L123 HydrophobicContact CD1-CG 4.49Å; I121-L123 HydrophobicContact CG1-CB 4.1Å; I121-L123 PolarHBondContact O-N 3.25Å; L123-P125 WeakPolarHBondContact O-CD 3.01Å
124L92Very high92Very high28 Ų2839 Ų3915%0.14721%0.208CC..  trans-68.4123.3-178.9-170.473.6000110.5L35 Y39 F40 T128L35-L124 HydrophobicContact CD2-CD1 3.66Å; L35-L124 HydrophobicContact CD2-CD2 3.58Å; L35-L124 HydrophobicContact CD2-CG 4.21Å; Y39-L124 HydrophobicContact CD1-CD1 4.27Å; Y39-L124 HydrophobicContact CD2-CD1 4.36Å; Y39-L124 HydrophobicContact CG-CD1 3.85Å; F40-L124 HydrophobicContact CZ-CB 4.15Å; F40-L124 HydrophobicContact CZ-CD1 4.49Å; L124-T128 HydrophobicContact CD1-CG2 3.81Å; L124-T128 WeakPolarHBondContact CD2-OG1 3.46Å; L124-T128 HydrophobicContact CG-CG2 4.1Å; L124-T128 WeakPolarHBondContact CG-OG1 3.3Å
125P93.9Very high92.3Very high3 Ų338.7 Ų38.72%0.01921%0.206CC..  trans-64.9152177.4-23.434.6000113.2Y39 Y52 L123 L127 T128Y39-P125 HydrophobicContact CE1-CG 4.09Å; Y39-P125 HydrophobicContact CE2-CG 4.29Å; Y52-P125 HydrophobicContact CE1-CB 3.98Å; Y52-P125 VanDerWaalsContact OH-CB 3.24Å; Y52-P125 WeakPolarHBondContact OH-CB 3.43Å; L123-P125 WeakPolarHBondContact O-CD 3.01Å; P125-L127 PolarHBondContact O-N 2.94Å; P125-T128 HydrophobicContact CB-CG2 4.15Å; P125-T128 HydrophobicContact CG-CG2 4.32Å; P125-T128 WeakPolarHBondContact O-CB 3.46Å; P125-T128 WeakPolarHBondContact O-CG2 3.49Å; P125-T128 PolarHBondContact O-N 3.27Å; P125-T128 PolarHBondContact O-OG1 3.46Å
126P91.8Very high92.5Very high58 Ų5836.3 Ų36.338%0.37719%0.194SC..THydrogen-bonded Turntrans-67-32.7-164.726.8-36.1000114.3Y52 T128 Q443Y52-P126 WeakPolarHBondContact OH-CD 3.28Å; P126-T128 VanDerWaalsContact C-N 3.31Å; P126-T128 PolarHBondContact O-N 2.79Å; P126-Q443 HydrophobicContact CG-CB 4.35Å
127L95.5Very high92.7Very high0 Ų037 Ų370%020%0.2CC..THydrogen-bonded Turntrans-86.83-176.9-45-172.5000113.9Y52 P125 V129 I130 T131 Q443 Y446 M447 I478 F482Y52-L127 HydrophobicContact CD1-CB 4.35Å; Y52-L127 HydrophobicContact CD2-CB 4.33Å; Y52-L127 HydrophobicContact CD2-CD1 4.23Å; Y52-L127 HydrophobicContact CE1-CB 3.76Å; Y52-L127 HydrophobicContact CE2-CB 3.78Å; Y52-L127 HydrophobicContact CE2-CD1 3.73Å; Y52-L127 HydrophobicContact CE2-CG 3.83Å; Y52-L127 VanDerWaalsContact CZ-CB 3.45Å; Y52-L127 PolarHBondContact OH-N 3.09Å; Y52-L127 VanDerWaalsContact OH-N 3.15Å; P125-L127 PolarHBondContact O-N 2.94Å; L127-V129 PolarHBondContact O-N 3.22Å; L127-I130 PolarHBondContact O-N 2.98Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.29Å; L127-T131 PolarHBondContact O-OG1 3.43Å; L127-Q443 HydrophobicContact CD1-CB 3.97Å; L127-Q443 HydrophobicContact CD1-CG 3.72Å; L127-Q443 HydrophobicContact CD2-CB 3.91Å; L127-Q443 HydrophobicContact CG-CB 3.95Å; L127-Q443 HydrophobicContact CG-CG 4.04Å; L127-Y446 HydrophobicContact CD1-CD1 4.18Å; L127-Y446 HydrophobicContact CD2-CD1 4.15Å; L127-M447 HydrophobicContact CD2-CG 3.18Å; L127-M447 HydrophobicContact CD2-SD 3.37Å; L127-M447 WeakPolarHBondContact CD2-SD 3.31Å; L127-I478 HydrophobicContact CB-CD1 4.07Å; L127-I478 HydrophobicContact CB-CG1 4.43Å; L127-I478 HydrophobicContact CB-CG2 3.72Å; L127-I478 HydrophobicContact CD1-CG1 4.29Å; L127-I478 HydrophobicContact CD1-CG2 3.59Å; L127-I478 HydrophobicContact CG-CG2 4.32Å; L127-F482 HydrophobicContact CD1-CB 4.16Å; L127-F482 HydrophobicContact CD1-CD2 3.28Å; L127-F482 HydrophobicContact CD1-CE2 3.76Å; L127-F482 HydrophobicContact CD1-CG 3.82Å
128T95.2Very high92.8Very high1 Ų137.9 Ų37.91%0.00620%0.196CC..Hα-helixtrans-61.6-41.2-174.747.20000113.4Y39 Y52 F55 L124 P125 P126 T131 F132Y39-T128 HydrophobicContact CD2-CG2 3.59Å; Y39-T128 HydrophobicContact CE2-CG2 3.7Å; Y39-T128 HydrophobicContact CG-CG2 4.38Å; Y52-T128 HydrophobicContact CD1-CG2 4.45Å; Y52-T128 HydrophobicContact CE1-CG2 3.91Å; F55-T128 HydrophobicContact CD1-CG2 4.46Å; F55-T128 HydrophobicContact CE1-CG2 4.3Å; L124-T128 HydrophobicContact CD1-CG2 3.81Å; L124-T128 WeakPolarHBondContact CD2-OG1 3.46Å; L124-T128 HydrophobicContact CG-CG2 4.1Å; L124-T128 WeakPolarHBondContact CG-OG1 3.3Å; P125-T128 HydrophobicContact CB-CG2 4.15Å; P125-T128 HydrophobicContact CG-CG2 4.32Å; P125-T128 WeakPolarHBondContact O-CB 3.46Å; P125-T128 WeakPolarHBondContact O-CG2 3.49Å; P125-T128 PolarHBondContact O-N 3.27Å; P125-T128 PolarHBondContact O-OG1 3.46Å; P126-T128 VanDerWaalsContact C-N 3.31Å; P126-T128 PolarHBondContact O-N 2.79Å; T128-T131 PolarHBondContact O-N 3.06Å; T128-F132 WeakPolarHBondContact O-CB 3Å; T128-F132 PolarHBondContact O-N 2.85Å
129V94.5Very high92.9Very high49 Ų4935.1 Ų35.130%0.29718%0.182SC..Hα-helixtrans-63.2-48.7179.4-178.60000111.3L32 L35 L127 T131 F132 I133L32-V129 HydrophobicContact CD2-CG1 4.35Å; L32-V129 HydrophobicContact CD2-CG2 4.11Å; L35-V129 HydrophobicContact CD1-CB 4.31Å; L35-V129 HydrophobicContact CD1-CG2 3.98Å; L127-V129 PolarHBondContact O-N 3.22Å; V129-T131 PolarHBondContact O-N 3.36Å; V129-F132 WeakPolarHBondContact O-CB 3.41Å; V129-F132 PolarHBondContact O-N 3.5Å; V129-I133 HydrophobicContact CG1-CD1 3.99Å; V129-I133 WeakPolarHBondContact O-CG1 3.33Å; V129-I133 PolarHBondContact O-N 3.48Å
130I94.2Very high93.1Very high25 Ų2541.6 Ų41.613%0.12822%0.216CC..Hα-helixtrans-70.9-32.3177.5-55.6-164.2000111.3L127 F132 I133 Q134 M447 L450 I478L127-I130 PolarHBondContact O-N 2.98Å; I130-F132 VanDerWaalsContact C-N 3.3Å; I130-F132 PolarHBondContact O-N 2.81Å; I130-I133 PolarHBondContact O-N 2.71Å; I130-Q134 HydrophobicContact CG2-CG 4.14Å; I130-Q134 WeakPolarHBondContact O-CB 3.15Å; I130-Q134 VanDerWaalsContact O-CG 3.29Å; I130-Q134 WeakPolarHBondContact O-CG 3.46Å; I130-Q134 PolarHBondContact O-N 3.35Å; I130-M447 HydrophobicContact CD1-CE 3.46Å; I130-M447 VanDerWaalsContact CD1-CE 3.46Å; I130-M447 HydrophobicContact CD1-SD 3.52Å; I130-M447 VanDerWaalsContact CD1-SD 3.52Å; I130-M447 HydrophobicContact CG1-CE 3.9Å; I130-M447 HydrophobicContact CG1-SD 4.02Å; I130-L450 HydrophobicContact CD1-CD2 4.03Å; I130-L450 HydrophobicContact CG2-CD2 4.03Å; I130-I478 HydrophobicContact CB-CD1 3.49Å; I130-I478 VanDerWaalsContact CB-CD1 3.49Å; I130-I478 HydrophobicContact CG2-CD1 3.43Å; I130-I478 VanDerWaalsContact CG2-CD1 3.43Å
131T95.3Very high93.6Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-60.6-41.8171.3-54.40000111Y52 F55 L127 T128 V129 V135 I478Y52-T131 WeakPolarHBondContact CD1-OG1 3.47Å; F55-T131 HydrophobicContact CD1-CG2 3.99Å; L127-T131 WeakPolarHBondContact O-CB 3.35Å; L127-T131 PolarHBondContact O-N 3.29Å; L127-T131 PolarHBondContact O-OG1 3.43Å; T128-T131 PolarHBondContact O-N 3.06Å; V129-T131 PolarHBondContact O-N 3.36Å; T131-V135 WeakPolarHBondContact O-CB 3.32Å; T131-V135 WeakPolarHBondContact O-CG2 3.35Å; T131-V135 PolarHBondContact O-N 3.28Å; T131-V135 VanDerWaalsContact O-N 3.11Å; T131-I478 VanDerWaalsContact OG1-CG2 3.23Å; T131-I478 WeakPolarHBondContact OG1-CG2 3.47Å
132F96.8Very high94Very high0 Ų041 Ų410%021%0.214CC..Hα-helixtrans-62.6-52.3176.7-176.5-118.2000110.9F34 L35 I59 F75 L77 T128 V129 I130 Q134 V135 L136F34-F132 AromaticContact CD1-CE2 3.99Å; F34-F132 HydrophobicContact CD1-CE2 3.99Å; F34-F132 AromaticContact CD1-CZ 3.84Å; F34-F132 HydrophobicContact CD1-CZ 3.84Å; F34-F132 HydrophobicContact CE1-CE2 4.09Å; F34-F132 HydrophobicContact CE1-CZ 4.26Å; L35-F132 HydrophobicContact CB-CD1 4.44Å; L35-F132 HydrophobicContact CD1-CB 3.62Å; L35-F132 HydrophobicContact CD1-CD1 3.93Å; L35-F132 HydrophobicContact CD1-CG 3.87Å; L35-F132 HydrophobicContact CG-CB 4.34Å; L35-F132 HydrophobicContact CG-CG 4.36Å; I59-F132 HydrophobicContact CD1-CB 4.31Å; I59-F132 HydrophobicContact CD1-CD2 3.82Å; I59-F132 HydrophobicContact CG1-CD2 3.9Å; I59-F132 HydrophobicContact CG1-CE2 4.44Å; I59-F132 HydrophobicContact CG2-CD2 3.99Å; I59-F132 HydrophobicContact CG2-CE2 4.03Å; F75-F132 HydrophobicContact CD1-CE1 4.25Å; F75-F132 AromaticContact CD1-CZ 3.8Å; F75-F132 HydrophobicContact CD1-CZ 3.8Å; F75-F132 HydrophobicContact CD2-CZ 4.49Å; F75-F132 AromaticContact CE1-CZ 3.79Å; F75-F132 HydrophobicContact CE1-CZ 3.79Å; F75-F132 HydrophobicContact CE2-CZ 4.47Å; F75-F132 HydrophobicContact CG-CE1 4.41Å; F75-F132 HydrophobicContact CG-CZ 4.16Å; F75-F132 HydrophobicContact CZ-CZ 4.13Å; L77-F132 HydrophobicContact CD2-CD1 4.46Å; L77-F132 HydrophobicContact CD2-CE1 4.34Å; T128-F132 WeakPolarHBondContact O-CB 3Å; T128-F132 PolarHBondContact O-N 2.85Å; V129-F132 WeakPolarHBondContact O-CB 3.41Å; V129-F132 PolarHBondContact O-N 3.5Å; I130-F132 VanDerWaalsContact C-N 3.3Å; I130-F132 PolarHBondContact O-N 2.81Å; F132-Q134 PolarHBondContact O-N 3Å; F132-V135 PolarHBondContact O-N 3.04Å; F132-V135 VanDerWaalsContact O-N 3.15Å; F132-L136 HydrophobicContact CD1-CD1 4.09Å; F132-L136 HydrophobicContact CD2-CG 4.5Å; F132-L136 HydrophobicContact CE1-CD1 3.65Å; F132-L136 HydrophobicContact CE1-CG 4.33Å; F132-L136 HydrophobicContact CE2-CD1 4.4Å; F132-L136 HydrophobicContact CE2-CD2 4.1Å; F132-L136 HydrophobicContact CE2-CG 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.82Å; F132-L136 HydrophobicContact CZ-CD2 4.15Å; F132-L136 HydrophobicContact CZ-CG 4.2Å; F132-L136 WeakPolarHBondContact O-CG 3.29Å; F132-L136 PolarHBondContact O-N 2.93Å
133I95.7Very high94.5Very high36 Ų3636.3 Ų36.319%0.18519%0.19CC..Hα-helixtrans-58-45177.3-68.7165000112.1L77 V129 I130 V135 L136 N137 Y143L77-I133 HydrophobicContact CD1-CD1 3.92Å; L77-I133 HydrophobicContact CD1-CG1 3.88Å; V129-I133 HydrophobicContact CG1-CD1 3.99Å; V129-I133 WeakPolarHBondContact O-CG1 3.33Å; V129-I133 PolarHBondContact O-N 3.48Å; I130-I133 PolarHBondContact O-N 2.71Å; I133-V135 VanDerWaalsContact C-N 3.3Å; I133-V135 PolarHBondContact O-N 3.43Å; I133-L136 PolarHBondContact O-N 3.02Å; I133-N137 WeakPolarHBondContact CG2-ND2 3.39Å; I133-N137 WeakPolarHBondContact O-CB 3.5Å; I133-N137 PolarHBondContact O-N 3.06Å; I133-N137 PolarHBondContact O-ND2 3.31Å; I133-Y143 HydrophobicContact CG2-CE1 4.28Å; I133-Y143 HydrophobicContact CG2-CE2 4.28Å; I133-Y143 WeakPolarHBondContact CG2-OH 3.35Å
134Q93.8Very high94.8Very high42 Ų4237.9 Ų37.920%0.19620%0.2CC..Hα-helixtrans-60.4-39.7177.4-78.2176-7.100111.7I130 F132 Q138 Y446I130-Q134 HydrophobicContact CG2-CG 4.14Å; I130-Q134 WeakPolarHBondContact O-CB 3.15Å; I130-Q134 VanDerWaalsContact O-CG 3.29Å; I130-Q134 WeakPolarHBondContact O-CG 3.46Å; I130-Q134 PolarHBondContact O-N 3.35Å; F132-Q134 PolarHBondContact O-N 3Å; Q134-Q138 VanDerWaalsContact O-CB 3.31Å; Q134-Q138 WeakPolarHBondContact O-CB 3.35Å; Q134-Q138 PolarHBondContact O-N 3.16Å; Q134-Y446 PolarHBondContact NE2-OH 3.11Å
135V94.3Very high94.8Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-76.5-34.8179.3176.20000112I59 T131 F132 I133 L139 Y479I59-V135 HydrophobicContact CB-CG1 3.94Å; I59-V135 HydrophobicContact CD1-CB 4.31Å; I59-V135 HydrophobicContact CD1-CG2 4.43Å; I59-V135 HydrophobicContact CG2-CB 4.27Å; I59-V135 HydrophobicContact CG2-CG1 3.64Å; T131-V135 WeakPolarHBondContact O-CB 3.32Å; T131-V135 WeakPolarHBondContact O-CG2 3.35Å; T131-V135 PolarHBondContact O-N 3.28Å; T131-V135 VanDerWaalsContact O-N 3.11Å; F132-V135 PolarHBondContact O-N 3.04Å; F132-V135 VanDerWaalsContact O-N 3.15Å; I133-V135 VanDerWaalsContact C-N 3.3Å; I133-V135 PolarHBondContact O-N 3.43Å; V135-L139 HydrophobicContact CG1-CD1 3.68Å; V135-L139 HydrophobicContact CG1-CG 4.26Å; V135-L139 VanDerWaalsContact O-CB 3.31Å; V135-L139 WeakPolarHBondContact O-CB 3.08Å; V135-L139 WeakPolarHBondContact O-CG 3.24Å; V135-L139 PolarHBondContact O-N 3.27Å; V135-Y479 HydrophobicContact CG2-CD1 4.43Å; V135-Y479 HydrophobicContact CG2-CE1 4.44Å
136L96.1Very high94.6Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-62.4-48.6171.9-67.1-172.3000111I59 I63 F75 F132 I133 L139 N140 V141 Y143I59-L136 HydrophobicContact CG2-CD2 4.5Å; I63-L136 HydrophobicContact CD1-CD2 4.04Å; I63-L136 HydrophobicContact CG1-CD2 4.39Å; F75-L136 HydrophobicContact CB-CD1 4.18Å; F75-L136 HydrophobicContact CD2-CD1 3.65Å; F75-L136 HydrophobicContact CD2-CD2 3.93Å; F75-L136 HydrophobicContact CD2-CG 4.47Å; F75-L136 HydrophobicContact CE2-CD1 4.28Å; F75-L136 HydrophobicContact CE2-CD2 3.72Å; F75-L136 HydrophobicContact CG-CD1 4Å; F75-L136 HydrophobicContact CZ-CD2 4.48Å; F132-L136 HydrophobicContact CD1-CD1 4.09Å; F132-L136 HydrophobicContact CD2-CG 4.5Å; F132-L136 HydrophobicContact CE1-CD1 3.65Å; F132-L136 HydrophobicContact CE1-CG 4.33Å; F132-L136 HydrophobicContact CE2-CD1 4.4Å; F132-L136 HydrophobicContact CE2-CD2 4.1Å; F132-L136 HydrophobicContact CE2-CG 4.29Å; F132-L136 HydrophobicContact CZ-CD1 3.82Å; F132-L136 HydrophobicContact CZ-CD2 4.15Å; F132-L136 HydrophobicContact CZ-CG 4.2Å; F132-L136 WeakPolarHBondContact O-CG 3.29Å; F132-L136 PolarHBondContact O-N 2.93Å; I133-L136 PolarHBondContact O-N 3.02Å; L136-L139 CarbonylContact O-C 3.52Å; L136-L139 PolarHBondContact O-N 3.37Å; L136-N140 PolarHBondContact O-N 3.15Å; L136-N140 VanDerWaalsContact O-N 3.12Å; L136-V141 HydrophobicContact CB-CB 4.27Å; L136-V141 HydrophobicContact CD2-CB 4.03Å; L136-V141 HydrophobicContact CD2-CG1 3.96Å; L136-V141 PolarHBondContact O-N 2.86Å; L136-Y143 HydrophobicContact CB-CD1 4.15Å; L136-Y143 HydrophobicContact CD1-CD1 4.16Å; L136-Y143 HydrophobicContact CD1-CG 4.29Å
137N94.3Very high94Very high79 Ų7944.4 Ų44.442%0.42224%0.236SC..Hα-helixtrans-56.5-51.4174.5-80.7-60.5000111.6I133 L139 N140 Y143I133-N137 WeakPolarHBondContact CG2-ND2 3.39Å; I133-N137 WeakPolarHBondContact O-CB 3.5Å; I133-N137 PolarHBondContact O-N 3.06Å; I133-N137 PolarHBondContact O-ND2 3.31Å; N137-L139 PolarHBondContact O-N 3.39Å; N137-N140 PolarHBondContact O-N 3Å; N137-N140 PolarHBondContact O-OD1 3.18Å; N137-Y143 WeakPolarHBondContact ND2-CE1 3.5Å; N137-Y143 PolarHBondContact ND2-OH 3.23Å
138Q91.5Very high93.3Very high85 Ų8545.7 Ų45.740%0.39725%0.245SC..Hα-helixtrans-60.3-32.3179.5-177.7177.319.900113.4Q134 N140 H391 Y479Q134-Q138 VanDerWaalsContact O-CB 3.31Å; Q134-Q138 WeakPolarHBondContact O-CB 3.35Å; Q134-Q138 PolarHBondContact O-N 3.16Å; Q138-N140 VanDerWaalsContact C-N 3.31Å; Q138-H391 PolarHBondContact NE2-CD2 2.87Å; Q138-H391 VanDerWaalsContact NE2-CD2 3.26Å; Q138-H391 PolarHBondContact OE1-CD2 3.37Å; Q138-H391 VanDerWaalsContact OE1-CD2 3.23Å; Q138-H391 PolarHBondContact OE1-NE2 2.99Å; Q138-Y479 PolarHBondContact OE1-OH 3.02Å
139L92.7Very high92.7Very high22 Ų2247.8 Ų47.812%0.11526%0.255CS..THydrogen-bonded Turntrans-85.8-1.3178-67.1173.1000112.9I63 R67 V135 L136 N137 V141 H391I63-L139 HydrophobicContact CB-CD1 4.04Å; I63-L139 HydrophobicContact CG1-CD1 4.06Å; I63-L139 HydrophobicContact CG2-CD1 4.08Å; R67-L139 VanDerWaalsContact CZ-O 3.23Å; R67-L139 PolarHBondContact NH1-O 3.23Å; R67-L139 PolarHBondContact NH2-O 3.25Å; V135-L139 HydrophobicContact CG1-CD1 3.68Å; V135-L139 HydrophobicContact CG1-CG 4.26Å; V135-L139 VanDerWaalsContact O-CB 3.31Å; V135-L139 WeakPolarHBondContact O-CB 3.08Å; V135-L139 WeakPolarHBondContact O-CG 3.24Å; V135-L139 PolarHBondContact O-N 3.27Å; L136-L139 CarbonylContact O-C 3.52Å; L136-L139 PolarHBondContact O-N 3.37Å; N137-L139 PolarHBondContact O-N 3.39Å; L139-V141 HydrophobicContact CB-CG2 3.9Å; L139-H391 HydrophobicContact CD2-CB 4.44Å
140N95.6Very high92.5Very high136 Ų13645.5 Ų45.573%0.72724%0.241SC*.THydrogen-bonded Turntrans51.464.5-169-58.4-37.7000111R67 L136 N137 Q138R67-N140 PolarHBondContact NH2-O 2.86Å; L136-N140 PolarHBondContact O-N 3.15Å; L136-N140 VanDerWaalsContact O-N 3.12Å; N137-N140 PolarHBondContact O-N 3Å; N137-N140 PolarHBondContact O-OD1 3.18Å; Q138-N140 VanDerWaalsContact C-N 3.31Å
141V96.9Very high92.3Very high8 Ų845.3 Ų45.35%0.04824%0.24CC..  trans-119.7127.5176.4179.40000109.4I63 P73 F75 L136 L139I63-V141 HydrophobicContact CD1-CG1 4.34Å; I63-V141 HydrophobicContact CD1-CG2 4.3Å; I63-V141 HydrophobicContact CG1-CG2 4.44Å; I63-V141 HydrophobicContact CG2-CG2 3.7Å; P73-V141 HydrophobicContact CG-CG1 3.93Å; F75-V141 HydrophobicContact CD2-CG1 3.91Å; F75-V141 HydrophobicContact CE2-CG1 3.8Å; L136-V141 HydrophobicContact CB-CB 4.27Å; L136-V141 HydrophobicContact CD2-CB 4.03Å; L136-V141 HydrophobicContact CD2-CG1 3.96Å; L136-V141 PolarHBondContact O-N 2.86Å; L139-V141 HydrophobicContact CB-CG2 3.9Å
142D97.5Very high91.9Very high88 Ų8850 Ų5047%0.47126%0.262SS..  trans-64.5134.9-177.3-54.9-45.7000111.6N72 I74 F75N72-D142 PolarHBondContact ND2-OD2 3.24Å; I74-D142 WeakPolarHBondContact CA-O 3.34Å; I74-D142 HydrophobicContact CG1-CB 4.13Å; I74-D142 HydrophobicContact CG2-CB 4.3Å; F75-D142 PolarHBondContact N-O 3.11Å
143Y97.6Very high91.6Very high71 Ų7153.1 Ų53.128%0.27828%0.279SS..EExtended strand (participates in β ladder)trans-146.5155.716771.2-86.1000110.8F75 L77 I133 L136 N137F75-Y143 CarbonylContact O-C 3.58Å; F75-Y143 WeakPolarHBondContact O-CA 3.38Å; F75-Y143 WeakPolarHBondContact O-CB 3.1Å; L77-Y143 HydrophobicContact CD1-CD2 3.92Å; L77-Y143 HydrophobicContact CD1-CE2 4.44Å; I133-Y143 HydrophobicContact CG2-CE1 4.28Å; I133-Y143 HydrophobicContact CG2-CE2 4.28Å; I133-Y143 WeakPolarHBondContact CG2-OH 3.35Å; L136-Y143 HydrophobicContact CB-CD1 4.15Å; L136-Y143 HydrophobicContact CD1-CD1 4.16Å; L136-Y143 HydrophobicContact CD1-CG 4.29Å; N137-Y143 WeakPolarHBondContact ND2-CE1 3.5Å; N137-Y143 PolarHBondContact ND2-OH 3.23Å
144V95.4Very high91.5Very high65 Ų6551.4 Ų51.439%0.39427%0.27SS..EExtended strand (participates in β ladder)trans-129.9156.1172-63.90000109.3F75 V76 L77 L157F75-V144 PolarHBondContact O-N 2.87Å; V76-V144 CarbonylContact C-O 3.51Å; V76-V144 WeakPolarHBondContact CA-O 3.13Å; V76-V144 HydrophobicContact CB-CG2 4.26Å; V76-V144 HydrophobicContact CG1-CG2 4.1Å; V76-V144 HydrophobicContact CG2-CG2 3.92Å; L77-V144 PolarHBondContact N-O 3.24Å; V144-L157 HydrophobicContact CG2-CD1 4.06Å
145T93.2Very high91.4Very high85 Ų8549.8 Ų49.852%0.52126%0.262SS..EExtended strand (participates in β ladder)trans-114.7126.9171.9-53.70000107.6L77L77-T145 HydrophobicContact CB-CG2 4.3Å; L77-T145 WeakPolarHBondContact O-CA 3.49Å
146S88.9Confident91.3Very high7 Ų753 Ų535%0.04928%0.284CS..  trans-70.3156.1174.2-68.90000111.3V76 L77 G79 S148 A150 D153V76-S146 WeakPolarHBondContact CG1-OG 3.4Å; L77-S146 PolarHBondContact O-N 3.29Å; G79-S146 WeakPolarHBondContact CA-O 3.37Å; G79-S146 PolarHBondContact N-O 2.93Å; S146-S148 WeakPolarHBondContact CB-O 3.31Å; S146-A150 WeakPolarHBondContact OG-CA 3.32Å; S146-D153 WeakPolarHBondContact CB-OD2 3.25Å; S146-D153 WeakPolarHBondContact OG-CB 3.22Å; S146-D153 PolarHBondContact OG-OD2 3.25Å
147D80Confident91.1Very high134 Ų13455.4 Ų55.472%0.71730%0.297SS*.SBendtrans-69.7-37.2172.5-72.9-30.3000111.5C80C80-D147 PolarHBondContact N-O 3.44Å
148S80.8Confident91.1Very high27 Ų2751.7 Ų51.719%0.18928%0.277CS..SBendtrans-126.4-132.7177-1760000110.7G79 C80 D82 S146G79-S148 PolarHBondContact N-O 3.5Å; C80-S148 VanDerWaalsContact O-CA 3.31Å; C80-S148 WeakPolarHBondContact O-CA 3.3Å; C80-S148 PolarHBondContact O-OG 3.36Å; D82-S148 PolarHBondContact OD2-OG 2.82Å; S146-S148 WeakPolarHBondContact CB-O 3.31Å
149E82.3Confident91.1Very high45 Ų4549.9 Ų49.921%0.2127%0.27CS..  trans-69.5132.6-179.8-46.1-163.1152.300112.1K85 D151K85-E149 WeakPolarHBondContact CD-OE1 3.37Å; K85-E149 WeakPolarHBondContact CE-OE1 3.35Å; K85-E149 IonicContact NZ-OE1 2.7Å; K85-E149 PolarHBondContact NZ-OE1 3.1Å; K85-E149 IonicContact NZ-OE2 3.85Å; E149-D151 PolarHBondContact O-N 2.71Å
150A89.3Confident91.1Very high1 Ų155.8 Ų55.81%0.00830%0.297CS..Hα-helixtrans-65.9-22.7-175.600000114.1V76 D78 S146 Q152 D153 V154V76-A150 HydrophobicContact CB-CB 4.33Å; V76-A150 HydrophobicContact CG1-CB 3.73Å; D78-A150 VanDerWaalsContact OD1-CB 3.3Å; D78-A150 WeakPolarHBondContact OD1-CB 3.48Å; D78-A150 PolarHBondContact OD1-N 3.34Å; S146-A150 WeakPolarHBondContact OG-CA 3.32Å; A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.34Å; A150-D153 PolarHBondContact O-N 2.86Å; A150-D153 VanDerWaalsContact O-N 3.08Å; A150-V154 HydrophobicContact CB-CG2 4.3Å; A150-V154 WeakPolarHBondContact O-CB 3.3Å; A150-V154 VanDerWaalsContact O-CG2 3.28Å; A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 3.48Å
151D89.4Confident91Very high21 Ų2153 Ų5311%0.11228%0.281CS..Hα-helixtrans-56-41.1-168.8-68.3-9.4000113.7E149 I155 F172E149-D151 PolarHBondContact O-N 2.71Å; D151-I155 WeakPolarHBondContact O-CD1 3.22Å; D151-I155 WeakPolarHBondContact O-CG1 3.23Å; D151-I155 PolarHBondContact O-N 2.91Å; D151-I155 VanDerWaalsContact O-N 3.15Å; D151-F172 HydrophobicContact CB-CE1 4.36Å; D151-F172 HydrophobicContact CB-CZ 4.07Å; D151-F172 WeakPolarHBondContact OD1-CZ 3.05Å
152Q87.3Confident90.9Very high99 Ų9959.7 Ų59.746%0.46331%0.31SS..Hα-helixtrans-71.9-37.1179.5-62.6-58.2-35.100112.4A150 I155 S156A150-Q152 VanDerWaalsContact C-N 3.32Å; A150-Q152 PolarHBondContact O-N 3.34Å; Q152-I155 PolarHBondContact O-N 2.64Å; Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.36Å; Q152-S156 PolarHBondContact O-N 3.15Å; Q152-S156 PolarHBondContact O-OG 3.41Å
153D91.3Very high90.7Very high65 Ų6555.7 Ų55.735%0.34829%0.288SS..Hα-helixtrans-74-37.9178.7-66.3-22.8000111V76 S146 A150 I155 S156 L157V76-D153 HydrophobicContact CG1-CB 4.08Å; S146-D153 WeakPolarHBondContact CB-OD2 3.25Å; S146-D153 WeakPolarHBondContact OG-CB 3.22Å; S146-D153 PolarHBondContact OG-OD2 3.25Å; A150-D153 PolarHBondContact O-N 2.86Å; A150-D153 VanDerWaalsContact O-N 3.08Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.11Å; D153-S156 PolarHBondContact O-N 2.83Å; D153-L157 VanDerWaalsContact O-CB 3.29Å; D153-L157 WeakPolarHBondContact O-CB 3.4Å; D153-L157 VanDerWaalsContact O-CG 3.29Å; D153-L157 WeakPolarHBondContact O-CG 3.34Å; D153-L157 PolarHBondContact O-N 2.98Å
154V93.6Very high90.6Very high0 Ų052.5 Ų52.50%028%0.276CS..Hα-helixtrans-55.3-47.8171167.20000110.8I28 D30 V76 A150 G158 V165 F172I28-V154 HydrophobicContact CG2-CB 4.23Å; I28-V154 HydrophobicContact CG2-CG1 3.97Å; I28-V154 HydrophobicContact CG2-CG2 4.25Å; D30-V154 HydrophobicContact CB-CG2 4.43Å; V76-V154 HydrophobicContact CB-CG2 3.52Å; V76-V154 HydrophobicContact CG1-CG2 3.97Å; V76-V154 HydrophobicContact CG2-CG2 3.69Å; A150-V154 HydrophobicContact CB-CG2 4.3Å; A150-V154 WeakPolarHBondContact O-CB 3.3Å; A150-V154 VanDerWaalsContact O-CG2 3.28Å; A150-V154 WeakPolarHBondContact O-CG2 3.47Å; A150-V154 PolarHBondContact O-N 3.48Å; V154-G158 PolarHBondContact O-N 2.86Å; V154-V165 HydrophobicContact CG1-CB 4.34Å; V154-V165 HydrophobicContact CG1-CG1 3.37Å; V154-V165 HydrophobicContact CG1-CG2 4.08Å; V154-F172 HydrophobicContact CB-CE1 3.88Å; V154-F172 HydrophobicContact CB-CZ 4.01Å; V154-F172 HydrophobicContact CG1-CD1 4.4Å; V154-F172 HydrophobicContact CG1-CE1 3.43Å; V154-F172 VanDerWaalsContact CG1-CE1 3.43Å; V154-F172 HydrophobicContact CG1-CZ 3.69Å; V154-F172 HydrophobicContact CG2-CZ 4.41Å
155I91.2Very high90.7Very high8 Ų849.4 Ų49.44%0.04126%0.258CS..Hα-helixtrans-65.5-50.8177.2-65.2157.7000109.9D151 Q152 D153 L157 G158 I159 F172 S175 I176D151-I155 WeakPolarHBondContact O-CD1 3.22Å; D151-I155 WeakPolarHBondContact O-CG1 3.23Å; D151-I155 PolarHBondContact O-N 2.91Å; D151-I155 VanDerWaalsContact O-N 3.15Å; Q152-I155 PolarHBondContact O-N 2.64Å; D153-I155 VanDerWaalsContact C-N 3.32Å; D153-I155 PolarHBondContact O-N 3.11Å; I155-L157 PolarHBondContact O-N 3.39Å; I155-G158 PolarHBondContact O-N 3.23Å; I155-G158 VanDerWaalsContact O-N 3.09Å; I155-I159 HydrophobicContact CG2-CD1 3.63Å; I155-I159 HydrophobicContact CG2-CG1 4.24Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.2Å; I155-I159 PolarHBondContact O-N 3.43Å; I155-F172 HydrophobicContact CD1-CD1 4.3Å; I155-F172 HydrophobicContact CD1-CE1 4.3Å; I155-F172 HydrophobicContact CG1-CD1 3.96Å; I155-F172 HydrophobicContact CG1-CE1 3.9Å; I155-S175 WeakPolarHBondContact CD1-OG 3.5Å; I155-I176 HydrophobicContact CG1-CG1 4.1Å
156S91.4Very high90.9Very high66 Ų6645.4 Ų45.446%0.46223%0.233SC..Hα-helixtrans-60.5-41.9-175.5-61.10000112.6Q152 D153 I159 H160Q152-S156 VanDerWaalsContact O-CB 3.28Å; Q152-S156 WeakPolarHBondContact O-CB 3.36Å; Q152-S156 PolarHBondContact O-N 3.15Å; Q152-S156 PolarHBondContact O-OG 3.41Å; D153-S156 PolarHBondContact O-N 2.83Å; S156-I159 PolarHBondContact O-N 2.91Å; S156-H160 WeakPolarHBondContact O-CB 3.16Å; S156-H160 PolarHBondContact O-N 3.36Å
157L93.2Very high91.2Very high52 Ų5245 Ų4527%0.27223%0.231SC..Hα-helixtrans-66.9-41.3173.3-71169.4000111.9I28 V76 V144 D153 I155 I159 H160 L161I28-L157 HydrophobicContact CD1-CB 3.92Å; I28-L157 HydrophobicContact CG1-CB 3.95Å; I28-L157 HydrophobicContact CG2-CB 4.42Å; V76-L157 HydrophobicContact CG2-CD1 3.83Å; V144-L157 HydrophobicContact CG2-CD1 4.06Å; D153-L157 VanDerWaalsContact O-CB 3.29Å; D153-L157 WeakPolarHBondContact O-CB 3.4Å; D153-L157 VanDerWaalsContact O-CG 3.29Å; D153-L157 WeakPolarHBondContact O-CG 3.34Å; D153-L157 PolarHBondContact O-N 2.98Å; I155-L157 PolarHBondContact O-N 3.39Å; L157-I159 VanDerWaalsContact C-N 3.28Å; L157-I159 PolarHBondContact O-N 2.94Å; L157-H160 PolarHBondContact O-N 2.98Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å
158G93.4Very high91.9Very high0 Ų040.4 Ų40.40%021%0.206CC..Hα-helixtrans-62.2-35.2176.100000112.9V154 I155 K162 C163V154-G158 PolarHBondContact O-N 2.86Å; I155-G158 PolarHBondContact O-N 3.23Å; I155-G158 VanDerWaalsContact O-N 3.09Å; G158-K162 CarbonylContact O-C 3.57Å; G158-K162 VanDerWaalsContact O-CA 3.31Å; G158-K162 WeakPolarHBondContact O-CA 3.33Å; G158-K162 PolarHBondContact O-N 2.88Å; G158-C163 PolarHBondContact O-N 3Å
159I91.9Very high92.5Very high48 Ų4839.5 Ų39.525%0.24620%0.199CC..Hα-helixtrans-68.7-51.7172.9-66.1169.4000110.3I155 S156 L157 L161 K162 P177 Q180 I183I155-I159 HydrophobicContact CG2-CD1 3.63Å; I155-I159 HydrophobicContact CG2-CG1 4.24Å; I155-I159 VanDerWaalsContact O-CG1 3.24Å; I155-I159 WeakPolarHBondContact O-CG1 3.2Å; I155-I159 PolarHBondContact O-N 3.43Å; S156-I159 PolarHBondContact O-N 2.91Å; L157-I159 VanDerWaalsContact C-N 3.28Å; L157-I159 PolarHBondContact O-N 2.94Å; I159-L161 PolarHBondContact O-N 3.15Å; I159-K162 PolarHBondContact O-N 3.49Å; I159-P177 HydrophobicContact CD1-CG 3.82Å; I159-P177 HydrophobicContact CG1-CG 4.24Å; I159-Q180 VanDerWaalsContact CG2-OE1 3.3Å; I159-I183 HydrophobicContact CG1-CD1 3.72Å
160H93Very high92.9Very high146 Ų14637.4 Ų37.468%0.67619%0.189SC*.Hα-helixtrans-61.3-46.5-175.5-177.279.5000112S156 L157 K162S156-H160 WeakPolarHBondContact O-CB 3.16Å; S156-H160 PolarHBondContact O-N 3.36Å; L157-H160 PolarHBondContact O-N 2.98Å; H160-K162 VanDerWaalsContact C-N 3.33Å
161L93.3Very high92.8Very high77 Ų7738.8 Ų38.840%0.40320%0.197SC..THydrogen-bonded Turntrans-86.3-0.6178.3-58.6-175.7000113.7T26 I28 I74 L157 I159 C163T26-L161 HydrophobicContact CG2-CD1 4.29Å; I28-L161 HydrophobicContact CD1-CD1 4.1Å; I74-L161 HydrophobicContact CD1-CD1 3.67Å; L157-L161 WeakPolarHBondContact O-CB 3.41Å; L157-L161 PolarHBondContact O-N 2.91Å; I159-L161 PolarHBondContact O-N 3.15Å; L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.61Å
162K94Very high92.9Very high149 Ų14937.9 Ų37.965%0.64819%0.192SC*.THydrogen-bonded Turntrans51.547.2178.9-58.8178.7-176172.40113.2G158 I159 H160 G182G158-K162 CarbonylContact O-C 3.57Å; G158-K162 VanDerWaalsContact O-CA 3.31Å; G158-K162 WeakPolarHBondContact O-CA 3.33Å; G158-K162 PolarHBondContact O-N 2.88Å; I159-K162 PolarHBondContact O-N 3.49Å; H160-K162 VanDerWaalsContact C-N 3.33Å; K162-G182 CarbonylContact C-O 3.47Å; K162-G182 CarbonylContact O-C 3.43Å
163C94.5Very high93Very high3 Ų333.6 Ų33.62%0.0217%0.171CC..  trans-132.1165.3-170.370.70000113.7T26 G158 L161T26-C163 VanDerWaalsContact O-CB 3.31Å; T26-C163 WeakPolarHBondContact O-CB 3.37Å; G158-C163 PolarHBondContact O-N 3Å; L161-C163 VanDerWaalsContact C-N 3.34Å; L161-C163 PolarHBondContact O-N 2.61Å
164P95.7Very high92.8Very high4 Ų431 Ų313%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-64.6144.4179.6-20.632.9000113.6L22 T26 V27 I28 C184 L186L22-P164 HydrophobicContact CD1-CG 4.28Å; T26-P164 WeakPolarHBondContact O-CD 3.44Å; V27-P164 WeakPolarHBondContact CA-O 3.45Å; V27-P164 HydrophobicContact CG1-CB 4.18Å; V27-P164 HydrophobicContact CG1-CG 4.28Å; I28-P164 PolarHBondContact N-O 3.31Å; P164-C184 WeakPolarHBondContact CA-O 3.4Å; P164-L186 HydrophobicContact CB-CD1 3.63Å; P164-L186 HydrophobicContact CB-CG 4.01Å; P164-L186 HydrophobicContact CG-CD1 4.32Å
165V96.5Very high92.5Very high0 Ų032.8 Ų32.80%017%0.17CC..EExtended strand (participates in β ladder)trans-102.6132.7171168.40000109.4I28 V154 F172 I176 I183 C184 F185 L186I28-V165 CarbonylContact O-C 3.52Å; I28-V165 WeakPolarHBondContact O-CA 3.24Å; V154-V165 HydrophobicContact CG1-CB 4.34Å; V154-V165 HydrophobicContact CG1-CG1 3.37Å; V154-V165 HydrophobicContact CG1-CG2 4.08Å; V165-F172 HydrophobicContact CG1-CD1 3.88Å; V165-F172 HydrophobicContact CG1-CE1 4.02Å; V165-F172 HydrophobicContact CG1-CG 4.4Å; V165-I176 HydrophobicContact CB-CD1 3.99Å; V165-I176 HydrophobicContact CG1-CD1 4.05Å; V165-I176 HydrophobicContact CG2-CD1 4.41Å; V165-I183 HydrophobicContact CG2-CD1 4.17Å; V165-I183 HydrophobicContact CG2-CG1 4.36Å; V165-C184 PolarHBondContact N-O 3.29Å; V165-F185 HydrophobicContact CG1-CD2 4.22Å; V165-L186 PolarHBondContact O-N 3.22Å
166I97.3Very high92.2Very high1 Ų132.6 Ų32.61%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-118.3120.3-179.7-59.2172.8000110.5L22 V27 I28 I29 D30 L186 L188 I191L22-I166 HydrophobicContact CD2-CD1 4.3Å; V27-I166 HydrophobicContact CB-CD1 3.87Å; V27-I166 HydrophobicContact CB-CG1 4.49Å; V27-I166 HydrophobicContact CG1-CD1 4.07Å; V27-I166 HydrophobicContact CG2-CD1 3.84Å; I28-I166 PolarHBondContact O-N 2.98Å; I29-I166 HydrophobicContact CB-CB 4.48Å; I29-I166 HydrophobicContact CD1-CD1 4.1Å; I29-I166 HydrophobicContact CG1-CB 4.15Å; I29-I166 HydrophobicContact CG1-CD1 4.13Å; I29-I166 HydrophobicContact CG2-CB 4.21Å; I29-I166 HydrophobicContact CG2-CG2 4.24Å; D30-I166 PolarHBondContact N-O 3.01Å; D30-I166 VanDerWaalsContact N-O 3.1Å; I166-L186 WeakPolarHBondContact CA-O 3.29Å; I166-L186 HydrophobicContact CG1-CB 4.12Å; I166-L186 HydrophobicContact CG1-CD1 4.29Å; I166-L188 HydrophobicContact CG2-CB 3.84Å; I166-L188 HydrophobicContact CG2-CD1 3.86Å; I166-L188 HydrophobicContact CG2-CG 4.39Å; I166-I191 HydrophobicContact CB-CD1 4.49Å; I166-I191 HydrophobicContact CD1-CD1 3.8Å; I166-I191 HydrophobicContact CG1-CD1 4Å; I166-I191 HydrophobicContact CG2-CD1 3.66Å
167S96.4Very high91.6Very high0 Ų030.9 Ų30.90%016%0.156CC..EExtended strand (participates in β ladder)trans-160.8164.9169.5-174.70000111.3D30 N33 D169 F172 F185 P187 L188D30-S167 PolarHBondContact OD2-OG 3.08Å; N33-S167 VanDerWaalsContact CG-OG 3.24Å; N33-S167 PolarHBondContact ND2-OG 3.45Å; N33-S167 VanDerWaalsContact ND2-OG 3.15Å; S167-D169 PolarHBondContact OG-N 2.93Å; S167-F172 VanDerWaalsContact CB-CD2 3.47Å; S167-F172 VanDerWaalsContact CB-CE2 3.4Å; S167-F185 VanDerWaalsContact O-CZ 3.31Å; S167-F185 WeakPolarHBondContact O-CZ 3.41Å; S167-P187 VanDerWaalsContact O-CA 3.31Å; S167-P187 WeakPolarHBondContact O-CA 3.14Å; S167-L188 PolarHBondContact O-N 3.38Å
168N95Very high90.6Very high37 Ų3730.2 Ų30.220%0.19815%0.153CC..SBendtrans-1039.2159.7-74-48000112.8N33 L188 S189N33-N168 WeakPolarHBondContact OD1-CB 3.19Å; N33-N168 PolarHBondContact OD1-N 2.86Å; N168-L188 PolarHBondContact OD1-N 2.93Å; N168-S189 PolarHBondContact ND2-N 3.31Å; N168-S189 WeakPolarHBondContact OD1-CB 3.43Å; N168-S189 PolarHBondContact OD1-N 3.26Å; N168-S189 PolarHBondContact OD1-OG 3.15Å
169D92.2Very high89.5Confident8 Ų837.6 Ų37.64%0.04319%0.187CC..  trans-69.8134167.4-155.2-54.1000108.8M1 G2 N33 S167 D171 F172M1-D169 WeakPolarHBondContact CA-OD2 3.09Å; M1-D169 HydrophobicContact CB-CB 4.28Å; M1-D169 WeakPolarHBondContact CB-OD2 3.33Å; G2-D169 WeakPolarHBondContact CA-OD1 2.96Å; G2-D169 PolarHBondContact N-OD1 2.77Å; G2-D169 VanDerWaalsContact N-OD1 3.15Å; G2-D169 PolarHBondContact N-OD2 3.2Å; N33-D169 PolarHBondContact ND2-N 3.18Å; S167-D169 PolarHBondContact OG-N 2.93Å; D169-D171 VanDerWaalsContact C-N 3.25Å; D169-D171 WeakPolarHBondContact OD1-CB 3.44Å; D169-D171 VanDerWaalsContact OD1-CG 3.28Å; D169-D171 PolarHBondContact OD1-N 3.33Å; D169-F172 HydrophobicContact CB-CD2 3.79Å; D169-F172 HydrophobicContact CB-CE2 3.8Å
170S91.2Very high88.6Confident0 Ų039.5 Ų39.50%020%0.195CC..SBendtrans-77.7-14-179.654.80000113.2M1 G2 V3 T7 F172 Y173M1-S170 PolarHBondContact O-OG 2.84Å; G2-S170 VanDerWaalsContact C-OG 3.27Å; G2-S170 WeakPolarHBondContact CA-OG 3.46Å; V3-S170 WeakPolarHBondContact CA-OG 3.29Å; V3-S170 WeakPolarHBondContact CB-OG 3.4Å; V3-S170 PolarHBondContact N-OG 3.31Å; V3-S170 PolarHBondContact O-OG 3.2Å; T7-S170 WeakPolarHBondContact OG1-CB 3.38Å; S170-F172 PolarHBondContact O-N 3.34Å; S170-Y173 WeakPolarHBondContact O-CB 2.97Å; S170-Y173 WeakPolarHBondContact O-CD2 3.49Å; S170-Y173 PolarHBondContact O-N 3.32Å
171D87.9Confident87.7Confident31 Ų3139 Ų3917%0.16620%0.202CC..THydrogen-bonded Turntrans-68.8-30-174.8-63.45.7000109.5G2 V3 D169 Y173 I174 S175G2-D171 WeakPolarHBondContact CA-OD1 3.46Å; V3-D171 WeakPolarHBondContact CG2-OD1 2.78Å; V3-D171 PolarHBondContact N-OD1 2.85Å; D169-D171 VanDerWaalsContact C-N 3.25Å; D169-D171 WeakPolarHBondContact OD1-CB 3.44Å; D169-D171 VanDerWaalsContact OD1-CG 3.28Å; D169-D171 PolarHBondContact OD1-N 3.33Å; D171-Y173 VanDerWaalsContact C-N 3.25Å; D171-Y173 PolarHBondContact O-N 3.26Å; D171-I174 WeakPolarHBondContact O-CG1 3.43Å; D171-I174 PolarHBondContact O-N 3.42Å; D171-I174 VanDerWaalsContact O-N 3.08Å; D171-S175 WeakPolarHBondContact O-CB 3.46Å; D171-S175 PolarHBondContact O-N 3.42Å; D171-S175 PolarHBondContact O-OG 2.93Å
172F91.2Very high87Confident2 Ų237.2 Ų37.21%0.00920%0.202CC..Hα-helixtrans-60-22.1169.4-64.3-70.5000115.5D30 D151 V154 I155 V165 S167 D169 S170 I174 S175 I176 F185D30-F172 HydrophobicContact CB-CE2 4.34Å; D30-F172 HydrophobicContact CB-CZ 4.44Å; D151-F172 HydrophobicContact CB-CE1 4.36Å; D151-F172 HydrophobicContact CB-CZ 4.07Å; D151-F172 WeakPolarHBondContact OD1-CZ 3.05Å; V154-F172 HydrophobicContact CB-CE1 3.88Å; V154-F172 HydrophobicContact CB-CZ 4.01Å; V154-F172 HydrophobicContact CG1-CD1 4.4Å; V154-F172 HydrophobicContact CG1-CE1 3.43Å; V154-F172 VanDerWaalsContact CG1-CE1 3.43Å; V154-F172 HydrophobicContact CG1-CZ 3.69Å; V154-F172 HydrophobicContact CG2-CZ 4.41Å; I155-F172 HydrophobicContact CD1-CD1 4.3Å; I155-F172 HydrophobicContact CD1-CE1 4.3Å; I155-F172 HydrophobicContact CG1-CD1 3.96Å; I155-F172 HydrophobicContact CG1-CE1 3.9Å; V165-F172 HydrophobicContact CG1-CD1 3.88Å; V165-F172 HydrophobicContact CG1-CE1 4.02Å; V165-F172 HydrophobicContact CG1-CG 4.4Å; S167-F172 VanDerWaalsContact CB-CD2 3.47Å; S167-F172 VanDerWaalsContact CB-CE2 3.4Å; D169-F172 HydrophobicContact CB-CD2 3.79Å; D169-F172 HydrophobicContact CB-CE2 3.8Å; S170-F172 PolarHBondContact O-N 3.34Å; F172-I174 PolarHBondContact O-N 2.69Å; F172-S175 WeakPolarHBondContact CA-OG 3.43Å; F172-I176 HydrophobicContact CB-CD1 3.94Å; F172-I176 HydrophobicContact CD1-CD1 4.05Å; F172-I176 HydrophobicContact CD1-CG1 4.34Å; F172-I176 HydrophobicContact CG-CD1 4.43Å; F172-F185 HydrophobicContact CB-CD1 4.28Å; F172-F185 HydrophobicContact CB-CD2 3.63Å; F172-F185 HydrophobicContact CB-CE1 4.05Å; F172-F185 HydrophobicContact CB-CE2 3.38Å; F172-F185 HydrophobicContact CB-CG 4.1Å; F172-F185 HydrophobicContact CB-CZ 3.61Å; F172-F185 HydrophobicContact CD2-CE2 4.09Å; F172-F185 HydrophobicContact CD2-CZ 4.41Å; F172-F185 HydrophobicContact CG-CD2 4.3Å; F172-F185 AromaticContact CG-CE2 3.88Å; F172-F185 HydrophobicContact CG-CE2 3.88Å; F172-F185 HydrophobicContact CG-CZ 4.37Å
173Y89.8Confident86.8Confident8 Ų830.8 Ų30.83%0.03118%0.175CC..Hα-helixtrans-67.2-22174.4-71.6-64.4000113.2L6 T7 L10 F17 S170 D171 F185 P187 F220 L227L6-Y173 HydrophobicContact CG-CD2 4.49Å; T7-Y173 HydrophobicContact CG2-CE2 4.28Å; L10-Y173 HydrophobicContact CD1-CD1 3.52Å; L10-Y173 HydrophobicContact CD1-CD2 3.67Å; L10-Y173 HydrophobicContact CD1-CE1 3.99Å; L10-Y173 HydrophobicContact CD1-CE2 4.16Å; L10-Y173 HydrophobicContact CD1-CG 3.35Å; F17-Y173 AromaticContact CE1-CE1 3.85Å; F17-Y173 HydrophobicContact CE1-CE1 3.85Å; F17-Y173 HydrophobicContact CZ-CE1 4Å; S170-Y173 WeakPolarHBondContact O-CB 2.97Å; S170-Y173 WeakPolarHBondContact O-CD2 3.49Å; S170-Y173 PolarHBondContact O-N 3.32Å; D171-Y173 VanDerWaalsContact C-N 3.25Å; D171-Y173 PolarHBondContact O-N 3.26Å; Y173-F185 AromaticContact CD1-CD1 3.7Å; Y173-F185 HydrophobicContact CD1-CD1 3.7Å; Y173-F185 AromaticContact CD1-CE1 3.73Å; Y173-F185 HydrophobicContact CD1-CE1 3.73Å; Y173-F185 HydrophobicContact CD2-CE1 4.24Å; Y173-F185 AromaticContact CE1-CD1 3.72Å; Y173-F185 HydrophobicContact CE1-CD1 3.72Å; Y173-F185 AromaticContact CE1-CE1 3.55Å; Y173-F185 HydrophobicContact CE1-CE1 3.55Å; Y173-F185 HydrophobicContact CE2-CE1 4.04Å; Y173-F185 HydrophobicContact CG-CD1 4.32Å; Y173-F185 HydrophobicContact CG-CE1 4.07Å; Y173-F185 AromaticContact CZ-CE1 3.7Å; Y173-P187 HydrophobicContact CE1-CG 4.25Å; Y173-P187 WeakPolarHBondContact OH-CG 3.17Å; Y173-F220 HydrophobicContact CD1-CB 4.24Å; Y173-F220 AromaticContact CD1-CD1 3.65Å; Y173-F220 HydrophobicContact CD1-CD1 3.65Å; Y173-F220 AromaticContact CD1-CD2 3.55Å; Y173-F220 HydrophobicContact CD1-CD2 3.55Å; Y173-F220 AromaticContact CD1-CE1 3.78Å; Y173-F220 HydrophobicContact CD1-CE1 3.78Å; Y173-F220 AromaticContact CD1-CE2 3.7Å; Y173-F220 HydrophobicContact CD1-CE2 3.7Å; Y173-F220 AromaticContact CD1-CG 3.53Å; Y173-F220 HydrophobicContact CD1-CG 3.53Å; Y173-F220 AromaticContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CE1-CB 4.04Å; Y173-F220 HydrophobicContact CE1-CD1 4.3Å; Y173-F220 AromaticContact CE1-CD2 3.58Å; Y173-F220 HydrophobicContact CE1-CD2 3.58Å; Y173-F220 HydrophobicContact CE1-CE2 4.07Å; Y173-F220 AromaticContact CE1-CG 3.71Å; Y173-F220 HydrophobicContact CE1-CG 3.71Å; Y173-L227 WeakPolarHBondContact O-CD1 2.98Å
174I86.8Confident86.7Confident10 Ų1031.4 Ų31.45%0.05118%0.179CC..Hα-helixtrans-120.4-24.5-171.450.8170.8000113.3V3 L6 D171 F172 L227 R235 A239 I244V3-I174 HydrophobicContact CG2-CD1 3.87Å; L6-I174 HydrophobicContact CD2-CD1 4.41Å; L6-I174 HydrophobicContact CD2-CG1 4.48Å; L6-I174 HydrophobicContact CD2-CG2 3.97Å; D171-I174 WeakPolarHBondContact O-CG1 3.43Å; D171-I174 PolarHBondContact O-N 3.42Å; D171-I174 VanDerWaalsContact O-N 3.08Å; F172-I174 PolarHBondContact O-N 2.69Å; I174-L227 HydrophobicContact CG2-CD1 4.12Å; I174-R235 HydrophobicContact CB-CB 3.84Å; I174-R235 HydrophobicContact CG2-CB 3.97Å; I174-A239 HydrophobicContact CD1-CB 3.31Å; I174-I244 HydrophobicContact CD1-CD1 4.29Å
175S85.8Confident86.7Confident39 Ų3931.3 Ų31.327%0.27318%0.178SC..Hα-helixtrans-88.1-27.5-179.962.30000114.2I155 D171 F172I155-S175 WeakPolarHBondContact CD1-OG 3.5Å; D171-S175 WeakPolarHBondContact O-CB 3.46Å; D171-S175 PolarHBondContact O-N 3.42Å; D171-S175 PolarHBondContact O-OG 2.93Å; F172-S175 WeakPolarHBondContact CA-OG 3.43Å
176I85.3Confident86.7Confident3 Ų331.3 Ų31.32%0.01518%0.178CC..SBendtrans-69.1124.5180-73.9169.4000110.5I155 V165 F172 I183 F185 I222I155-I176 HydrophobicContact CG1-CG1 4.1Å; V165-I176 HydrophobicContact CB-CD1 3.99Å; V165-I176 HydrophobicContact CG1-CD1 4.05Å; V165-I176 HydrophobicContact CG2-CD1 4.41Å; F172-I176 HydrophobicContact CB-CD1 3.94Å; F172-I176 HydrophobicContact CD1-CD1 4.05Å; F172-I176 HydrophobicContact CD1-CG1 4.34Å; F172-I176 HydrophobicContact CG-CD1 4.43Å; I176-I183 HydrophobicContact CG1-CD1 4.48Å; I176-I183 HydrophobicContact CG2-CD1 4.09Å; I176-I183 HydrophobicContact CG2-CG1 4.11Å; I176-F185 HydrophobicContact CD1-CB 3.66Å; I176-F185 HydrophobicContact CD1-CD2 3.89Å; I176-F185 HydrophobicContact CD1-CG 4.01Å; I176-I222 HydrophobicContact CG2-CD1 4.05Å
177P79.5Confident86.6Confident31 Ų3131.2 Ų31.220%0.20118%0.178CC..  trans-73.1144.9-173.328.5-35.3000112.7I159I159-P177 HydrophobicContact CD1-CG 3.82Å; I159-P177 HydrophobicContact CG1-CG 4.24Å
178N71.9Confident86.6Confident37 Ų3731.2 Ų31.220%0.19818%0.178CC..SBendtrans-81.5-17.9-176.7-170.961.7000114.9I222 H223 T232N178-I222 HydrophobicContact CB-CG2 3.87Å; N178-I222 WeakPolarHBondContact OD1-CG2 3.22Å; N178-H223 PolarHBondContact ND2-CE1 3.26Å; N178-H223 PolarHBondContact ND2-NE2 3.31Å; N178-H223 PolarHBondContact OD1-NE2 3.35Å; N178-T232 HydrophobicContact CB-CG2 4.47Å
179H70.3Confident86.5Confident156 Ų15632.2 Ų32.272%0.72219%0.187SC*.SBendtrans-101.52.2-164.1-58.5-72.1000114.5
180Q72.7Confident86.7Confident87 Ų8734.9 Ų34.941%0.40720%0.197SC..  trans-109.3129.4-174.3-74.6168.9-22.600111.1I159 I183I159-Q180 VanDerWaalsContact CG2-OE1 3.3Å; Q180-I183 HydrophobicContact CB-CG2 4.07Å
181V75.2Confident86.9Confident135 Ų13535.5 Ų35.582%0.81820%0.201SC*.SBendtrans-80.7127.5-177.2-176.80000109.9
182G78.1Confident87.3Confident40 Ų4036.3 Ų36.341%0.41221%0.209SC..SBendtrans109.6-30.617400000114.5K162K162-G182 CarbonylContact C-O 3.47Å; K162-G182 CarbonylContact O-C 3.43Å
183I89.8Confident87.4Confident15 Ų1537.4 Ų37.48%0.07721%0.213CC..  trans-75.9140.6173.4-170.4167.5000111.3I159 V165 I176 Q180I159-I183 HydrophobicContact CG1-CD1 3.72Å; V165-I183 HydrophobicContact CG2-CD1 4.17Å; V165-I183 HydrophobicContact CG2-CG1 4.36Å; I176-I183 HydrophobicContact CG1-CD1 4.48Å; I176-I183 HydrophobicContact CG2-CD1 4.09Å; I176-I183 HydrophobicContact CG2-CG1 4.11Å; Q180-I183 HydrophobicContact CB-CG2 4.07Å
184C92.5Very high87.6Confident15 Ų1544 Ų4410%0.10124%0.244CC..EExtended strand (participates in β ladder)trans-156.5161.3167640000111.4P164 V165 K219P164-C184 WeakPolarHBondContact CA-O 3.4Å; V165-C184 PolarHBondContact N-O 3.29Å; C184-K219 HydrophobicContact CB-CD 3.62Å; C184-K219 HydrophobicContact CB-CG 3.97Å
185F95Very high88Confident2 Ų245 Ų451%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-98.9128.3177.9-172.8-133.1000112.1V165 S167 F172 Y173 I176 P187 F220V165-F185 HydrophobicContact CG1-CD2 4.22Å; S167-F185 VanDerWaalsContact O-CZ 3.31Å; S167-F185 WeakPolarHBondContact O-CZ 3.41Å; F172-F185 HydrophobicContact CB-CD1 4.28Å; F172-F185 HydrophobicContact CB-CD2 3.63Å; F172-F185 HydrophobicContact CB-CE1 4.05Å; F172-F185 HydrophobicContact CB-CE2 3.38Å; F172-F185 HydrophobicContact CB-CG 4.1Å; F172-F185 HydrophobicContact CB-CZ 3.61Å; F172-F185 HydrophobicContact CD2-CE2 4.09Å; F172-F185 HydrophobicContact CD2-CZ 4.41Å; F172-F185 HydrophobicContact CG-CD2 4.3Å; F172-F185 AromaticContact CG-CE2 3.88Å; F172-F185 HydrophobicContact CG-CE2 3.88Å; F172-F185 HydrophobicContact CG-CZ 4.37Å; Y173-F185 AromaticContact CD1-CD1 3.7Å; Y173-F185 HydrophobicContact CD1-CD1 3.7Å; Y173-F185 AromaticContact CD1-CE1 3.73Å; Y173-F185 HydrophobicContact CD1-CE1 3.73Å; Y173-F185 HydrophobicContact CD2-CE1 4.24Å; Y173-F185 AromaticContact CE1-CD1 3.72Å; Y173-F185 HydrophobicContact CE1-CD1 3.72Å; Y173-F185 AromaticContact CE1-CE1 3.55Å; Y173-F185 HydrophobicContact CE1-CE1 3.55Å; Y173-F185 HydrophobicContact CE2-CE1 4.04Å; Y173-F185 HydrophobicContact CG-CD1 4.32Å; Y173-F185 HydrophobicContact CG-CE1 4.07Å; Y173-F185 AromaticContact CZ-CE1 3.7Å; I176-F185 HydrophobicContact CD1-CB 3.66Å; I176-F185 HydrophobicContact CD1-CD2 3.89Å; I176-F185 HydrophobicContact CD1-CG 4.01Å; F185-P187 HydrophobicContact CD1-CG 4.32Å; F185-P187 HydrophobicContact CE1-CG 4.07Å; F185-F220 HydrophobicContact CB-CB 4.19Å; F185-F220 HydrophobicContact CD1-CB 4.01Å; F185-F220 HydrophobicContact CD1-CD1 4.47Å; F185-F220 HydrophobicContact CD1-CG 4.45Å; F185-F220 PolarHBondContact O-N 3.29Å
186L96.7Very high88.4Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-117104.2174.6-55.8-177.7000108.5Y20 L22 P164 V165 I166 L188 I191 K219Y20-L186 HydrophobicContact CD1-CD1 4.22Å; Y20-L186 HydrophobicContact CD1-CD2 3.82Å; Y20-L186 HydrophobicContact CE1-CD1 4.2Å; Y20-L186 HydrophobicContact CE1-CD2 4.29Å; Y20-L186 HydrophobicContact CG-CD2 4.38Å; L22-L186 HydrophobicContact CD1-CD1 3.95Å; L22-L186 HydrophobicContact CD2-CD1 4.12Å; P164-L186 HydrophobicContact CB-CD1 3.63Å; P164-L186 HydrophobicContact CB-CG 4.01Å; P164-L186 HydrophobicContact CG-CD1 4.32Å; V165-L186 PolarHBondContact O-N 3.22Å; I166-L186 WeakPolarHBondContact CA-O 3.29Å; I166-L186 HydrophobicContact CG1-CB 4.12Å; I166-L186 HydrophobicContact CG1-CD1 4.29Å; L186-L188 PolarHBondContact O-N 3.2Å; L186-I191 HydrophobicContact CB-CD1 4.41Å; L186-K219 HydrophobicContact CD2-CB 3.64Å; L186-K219 HydrophobicContact CD2-CG 3.93Å
187P96Very high88.8Confident0 Ų050.6 Ų50.60%028%0.276CS..EExtended strand (participates in β ladder)trans-57.6123.2174.7-23.433.1000110.5F17 S167 Y173 F185 S189 Y190 Q218F17-P187 HydrophobicContact CD1-CG 4.33Å; F17-P187 HydrophobicContact CE1-CG 3.78Å; S167-P187 VanDerWaalsContact O-CA 3.31Å; S167-P187 WeakPolarHBondContact O-CA 3.14Å; Y173-P187 HydrophobicContact CE1-CG 4.25Å; Y173-P187 WeakPolarHBondContact OH-CG 3.17Å; F185-P187 HydrophobicContact CD1-CG 4.32Å; F185-P187 HydrophobicContact CE1-CG 4.07Å; P187-S189 VanDerWaalsContact C-N 3.25Å; P187-S189 PolarHBondContact O-N 3.09Å; P187-Y190 HydrophobicContact CB-CD2 3.97Å; P187-Y190 HydrophobicContact CB-CG 4.16Å; P187-Y190 HydrophobicContact CG-CD2 3.95Å; P187-Y190 WeakPolarHBondContact O-CA 3.27Å; P187-Y190 WeakPolarHBondContact O-CB 3.43Å; P187-Y190 PolarHBondContact O-N 3.07Å; P187-Q218 WeakPolarHBondContact CD-O 3.28Å
188L95.9Very high89.1Confident0 Ų050.7 Ų50.70%028%0.275CS..G310 helixtrans-58.3-37.6-174.1169.762000112.6F34 F37 I166 S167 N168 L186 Y190 I191 F193F34-L188 HydrophobicContact CB-CD2 4.12Å; F34-L188 HydrophobicContact CD2-CD1 3.66Å; F34-L188 HydrophobicContact CD2-CD2 3.75Å; F34-L188 HydrophobicContact CD2-CG 4.38Å; F34-L188 HydrophobicContact CE2-CD1 3.93Å; F34-L188 HydrophobicContact CG-CD2 4.35Å; F37-L188 HydrophobicContact CB-CD2 3.66Å; F37-L188 HydrophobicContact CB-CG 4.5Å; F37-L188 HydrophobicContact CD1-CD1 4.04Å; F37-L188 HydrophobicContact CD1-CD2 3.61Å; F37-L188 HydrophobicContact CD1-CG 3.71Å; F37-L188 HydrophobicContact CE1-CD1 4.15Å; F37-L188 HydrophobicContact CE1-CD2 4.45Å; F37-L188 HydrophobicContact CE1-CG 4.06Å; F37-L188 HydrophobicContact CG-CD2 3.7Å; F37-L188 HydrophobicContact CG-CG 4.02Å; I166-L188 HydrophobicContact CG2-CB 3.84Å; I166-L188 HydrophobicContact CG2-CD1 3.86Å; I166-L188 HydrophobicContact CG2-CG 4.39Å; S167-L188 PolarHBondContact O-N 3.38Å; N168-L188 PolarHBondContact OD1-N 2.93Å; L186-L188 PolarHBondContact O-N 3.2Å; L188-Y190 PolarHBondContact O-N 3.08Å; L188-Y190 VanDerWaalsContact O-N 3.16Å; L188-I191 HydrophobicContact CD1-CD1 4.46Å; L188-I191 PolarHBondContact O-N 3.18Å; L188-I191 VanDerWaalsContact O-N 3.16Å; L188-F193 HydrophobicContact CD1-CE2 3.78Å; L188-F193 HydrophobicContact CD1-CZ 3.58Å
189S93.6Very high89.6Confident57 Ų5755.8 Ų55.840%0.39931%0.307SS..G310 helixtrans-65.1-10.8174.951.30000114.6N168 P187N168-S189 PolarHBondContact ND2-N 3.31Å; N168-S189 WeakPolarHBondContact OD1-CB 3.43Å; N168-S189 PolarHBondContact OD1-N 3.26Å; N168-S189 PolarHBondContact OD1-OG 3.15Å; P187-S189 VanDerWaalsContact C-N 3.25Å; P187-S189 PolarHBondContact O-N 3.09Å
190Y95.1Very high90.1Very high65 Ų6554.9 Ų54.926%0.25531%0.307SS..G310 helixtrans-103.36.5176.7-70.5-10.1000113.4Q11 F17 P187 L188 C217 Q218Q11-Y190 VanDerWaalsContact CG-OH 3.25Å; Q11-Y190 WeakPolarHBondContact CG-OH 3.43Å; Q11-Y190 PolarHBondContact NE2-OH 2.98Å; F17-Y190 AromaticContact CD1-CD2 3.97Å; F17-Y190 HydrophobicContact CD1-CD2 3.97Å; F17-Y190 AromaticContact CD1-CE2 3.72Å; F17-Y190 HydrophobicContact CD1-CE2 3.72Å; F17-Y190 HydrophobicContact CD2-CE2 4.07Å; F17-Y190 HydrophobicContact CE1-CD2 4.14Å; F17-Y190 AromaticContact CE1-CE2 3.73Å; F17-Y190 HydrophobicContact CE1-CE2 3.73Å; F17-Y190 HydrophobicContact CE2-CE2 4.09Å; F17-Y190 HydrophobicContact CG-CD2 4.44Å; F17-Y190 AromaticContact CG-CE2 3.9Å; F17-Y190 HydrophobicContact CG-CE2 3.9Å; F17-Y190 AromaticContact CZ-CE2 3.93Å; F17-Y190 HydrophobicContact CZ-CE2 3.93Å; P187-Y190 HydrophobicContact CB-CD2 3.97Å; P187-Y190 HydrophobicContact CB-CG 4.16Å; P187-Y190 HydrophobicContact CG-CD2 3.95Å; P187-Y190 WeakPolarHBondContact O-CA 3.27Å; P187-Y190 WeakPolarHBondContact O-CB 3.43Å; P187-Y190 PolarHBondContact O-N 3.07Å; L188-Y190 PolarHBondContact O-N 3.08Å; L188-Y190 VanDerWaalsContact O-N 3.16Å; Y190-C217 WeakPolarHBondContact O-CA 2.8Å; Y190-C217 VanDerWaalsContact O-CB 3.3Å; Y190-C217 WeakPolarHBondContact O-CB 3.34Å; Y190-Q218 HydrophobicContact CD2-CB 3.87Å; Y190-Q218 HydrophobicContact CG-CB 4.32Å; Y190-Q218 PolarHBondContact O-N 3.07Å
191I96Very high90.5Very high13 Ų1355.3 Ų55.37%0.06731%0.309CS..  trans-96.6118.8175.5-54.9175.9000109.6I166 L186 L188 F193 L215 C217I166-I191 HydrophobicContact CB-CD1 4.49Å; I166-I191 HydrophobicContact CD1-CD1 3.8Å; I166-I191 HydrophobicContact CG1-CD1 4Å; I166-I191 HydrophobicContact CG2-CD1 3.66Å; L186-I191 HydrophobicContact CB-CD1 4.41Å; L188-I191 HydrophobicContact CD1-CD1 4.46Å; L188-I191 PolarHBondContact O-N 3.18Å; L188-I191 VanDerWaalsContact O-N 3.16Å; I191-F193 HydrophobicContact CB-CD2 4.28Å; I191-F193 HydrophobicContact CB-CE2 3.7Å; I191-F193 HydrophobicContact CB-CZ 3.96Å; I191-F193 HydrophobicContact CD1-CZ 4.33Å; I191-F193 HydrophobicContact CG2-CD1 4.28Å; I191-F193 HydrophobicContact CG2-CD2 4.01Å; I191-F193 HydrophobicContact CG2-CE1 4Å; I191-F193 HydrophobicContact CG2-CE2 3.72Å; I191-F193 HydrophobicContact CG2-CG 4.31Å; I191-F193 HydrophobicContact CG2-CZ 3.71Å; I191-F193 VanDerWaalsContact O-CD2 3.28Å; I191-F193 WeakPolarHBondContact O-CD2 3.3Å; I191-L215 HydrophobicContact CG2-CB 4.3Å; I191-L215 HydrophobicContact CG2-CD1 4.09Å; I191-C217 HydrophobicContact CB-CB 4.08Å; I191-C217 HydrophobicContact CG1-CB 3.71Å; I191-C217 HydrophobicContact CG2-CB 4.29Å
192S95.3Very high91Very high48 Ų4850.6 Ų50.634%0.33628%0.281SS..  trans-78.9121163.2-177.20000109.2E194 L215 K216S192-E194 PolarHBondContact O-N 2.87Å; S192-L215 WeakPolarHBondContact O-CB 3.43Å; S192-K216 PolarHBondContact N-O 2.85Å
193F93.5Very high91.3Very high24 Ų2453.9 Ų53.911%0.10529%0.289CS..  trans-89.722.3179.2-70.5-89.3000113.3F34 F37 F62 S65 L66 L188 I191 P195 L215F34-F193 HydrophobicContact CE2-CE1 4.32Å; F34-F193 HydrophobicContact CE2-CZ 4.03Å; F37-F193 HydrophobicContact CE1-CE2 4.35Å; F62-F193 HydrophobicContact CD1-CB 3.72Å; F62-F193 AromaticContact CD1-CD1 3.53Å; F62-F193 HydrophobicContact CD1-CD1 3.53Å; F62-F193 AromaticContact CD1-CD2 3.78Å; F62-F193 HydrophobicContact CD1-CD2 3.78Å; F62-F193 AromaticContact CD1-CE1 4Å; F62-F193 HydrophobicContact CD1-CE1 4Å; F62-F193 HydrophobicContact CD1-CE2 4.21Å; F62-F193 AromaticContact CD1-CG 3.38Å; F62-F193 HydrophobicContact CD1-CG 3.38Å; F62-F193 HydrophobicContact CD1-CZ 4.31Å; F62-F193 HydrophobicContact CE1-CB 3.66Å; F62-F193 HydrophobicContact CE1-CD1 4.1Å; F62-F193 AromaticContact CE1-CD2 3.45Å; F62-F193 HydrophobicContact CE1-CD2 3.45Å; F62-F193 VanDerWaalsContact CE1-CD2 3.45Å; F62-F193 HydrophobicContact CE1-CE2 4.04Å; F62-F193 AromaticContact CE1-CG 3.46Å; F62-F193 HydrophobicContact CE1-CG 3.46Å; F62-F193 VanDerWaalsContact CE1-CG 3.46Å; S65-F193 WeakPolarHBondContact CB-O 3.5Å; S65-F193 PolarHBondContact OG-O 2.82Å; L66-F193 HydrophobicContact CD2-CE1 4.19Å; L66-F193 HydrophobicContact CG-CE1 4.44Å; L188-F193 HydrophobicContact CD1-CE2 3.78Å; L188-F193 HydrophobicContact CD1-CZ 3.58Å; I191-F193 HydrophobicContact CB-CD2 4.28Å; I191-F193 HydrophobicContact CB-CE2 3.7Å; I191-F193 HydrophobicContact CB-CZ 3.96Å; I191-F193 HydrophobicContact CD1-CZ 4.33Å; I191-F193 HydrophobicContact CG2-CD1 4.28Å; I191-F193 HydrophobicContact CG2-CD2 4.01Å; I191-F193 HydrophobicContact CG2-CE1 4Å; I191-F193 HydrophobicContact CG2-CE2 3.72Å; I191-F193 HydrophobicContact CG2-CG 4.31Å; I191-F193 HydrophobicContact CG2-CZ 3.71Å; I191-F193 VanDerWaalsContact O-CD2 3.28Å; I191-F193 WeakPolarHBondContact O-CD2 3.3Å; F193-P195 WeakPolarHBondContact O-CD 3.42Å; F193-L215 HydrophobicContact CD1-CD1 3.92Å; F193-L215 HydrophobicContact CE1-CD1 4.32Å
194E94.6Very high91.1Very high147 Ų14758.2 Ų58.269%0.68731%0.312SS*.SBendtrans-97.2112.2170.1-64.7-176.7158.300108.9S192 I196S192-E194 PolarHBondContact O-N 2.87Å; E194-I196 PolarHBondContact O-N 3.37Å
195P94.4Very high90.8Very high31 Ų3157.8 Ų57.820%0.20131%0.309CS..PPolyproline II helixtrans-64.8117.7179.3-25.837.4000112.2R68 F193 A213 L215R68-P195 HydrophobicContact CB-CB 4.19Å; R68-P195 HydrophobicContact CB-CG 3.98Å; F193-P195 WeakPolarHBondContact O-CD 3.42Å; P195-A213 HydrophobicContact CB-CB 4.37Å; P195-L215 HydrophobicContact CB-CD2 4.48Å; P195-L215 HydrophobicContact CG-CD2 4.15Å
196I95.5Very high90.2Very high63 Ų6363.3 Ų63.332%0.32334%0.335SS..EExtended strand (participates in β ladder)trans-94129.6175.2-59.3167.1000108.5E194 A213 Y214 K216E194-I196 PolarHBondContact O-N 3.37Å; I196-A213 CarbonylContact O-C 3.6Å; I196-A213 WeakPolarHBondContact O-CA 3.29Å; I196-A213 WeakPolarHBondContact O-CB 3.19Å; I196-Y214 HydrophobicContact CB-CD1 4.24Å; I196-Y214 HydrophobicContact CB-CE1 3.8Å; I196-Y214 HydrophobicContact CB-CE2 4.19Å; I196-Y214 HydrophobicContact CD1-CE2 4Å; I196-Y214 HydrophobicContact CG2-CD1 4.46Å; I196-Y214 HydrophobicContact CG2-CE1 3.61Å; I196-Y214 HydrophobicContact CG2-CE2 4.49Å; I196-Y214 PolarHBondContact N-O 2.79Å; I196-Y214 WeakPolarHBondContact O-CD1 3.35Å; I196-Y214 PolarHBondContact O-N 2.72Å; I196-K216 HydrophobicContact CD1-CB 3.87Å
197M92.9Very high89.6Confident97 Ų9771 Ų7148%0.47837%0.368SS..EExtended strand (participates in β ladder)trans-70.7129.9176.7-68.8-51.7-5700111C212 A213M197-C212 VanDerWaalsContact CE-O 3.25Å; M197-C212 WeakPolarHBondContact CE-O 3.45Å; M197-A213 HydrophobicContact SD-CB 3.93Å
198N86Confident88.9Confident33 Ų3373.5 Ų73.518%0.17639%0.385CS..PPolyproline II helixtrans-76.4129.6171.6-93.3-31.4000110.2I200 C212 Y214N198-I200 VanDerWaalsContact C-N 3.32Å; N198-C212 HydrophobicContact CB-CB 3.96Å; N198-C212 PolarHBondContact N-O 2.86Å; N198-C212 PolarHBondContact ND2-SG 3.3Å; N198-Y214 WeakPolarHBondContact OD1-CD1 3.37Å; N198-Y214 VanDerWaalsContact OD1-CE1 3.22Å; N198-Y214 WeakPolarHBondContact OD1-CE1 3.48Å
199T82.9Confident88.2Confident144 Ų14482.1 Ų82.188%0.88343%0.426SS*.SBendtrans-70.2-30.2173.653.10000112.4
200I81.3Confident87.5Confident137 Ų13785 Ų8570%0.70343%0.431SS*.SBendtrans-111.2118.4175.4-59.1171.8000107.7N198 C202N198-I200 VanDerWaalsContact C-N 3.32Å; I200-C202 PolarHBondContact O-N 3.19Å
201Q80.5Confident87Confident96 Ų9685.8 Ų85.845%0.44945%0.446SS..  trans-68.2129.4173.1-65.1-174.7-1.600109.7Q206 C212Q201-Q206 HydrophobicContact CB-CB 4.37Å; Q201-C212 HydrophobicContact CB-CB 4.38Å; Q201-C212 HydrophobicContact CG-CB 4.18Å
202C85.5Confident86.8Confident35 Ų3585.3 Ų85.324%0.23644%0.443CS..  trans-72.4156.8166.571.40000111.2N24 I200 L204 C205 Q206N24-C202 PolarHBondContact ND2-SG 2.76Å; I200-C202 PolarHBondContact O-N 3.19Å; C202-L204 PolarHBondContact O-N 2.93Å; C202-C205 PolarHBondContact O-N 2.97Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C202-Q206 PolarHBondContact O-N 2.89Å
203D85.2Confident86.7Confident110 Ų11083.2 Ų83.259%0.58843%0.429SS*.Hα-helixtrans-48.5-38.6-176-53.12.8000113.9K207D203-K207 VanDerWaalsContact O-CB 3.28Å; D203-K207 WeakPolarHBondContact O-CB 3.34Å; D203-K207 WeakPolarHBondContact O-CD 3.31Å; D203-K207 WeakPolarHBondContact O-CG 3.48Å; D203-K207 PolarHBondContact O-N 3.36Å
204L84.6Confident86.8Confident105 Ų10583.7 Ų83.755%0.5543%0.431SS..Hα-helixtrans-68.9-40.6179.9-65.8175.7000112.5N24 C202 S208N24-L204 HydrophobicContact CB-CD1 4.05Å; C202-L204 PolarHBondContact O-N 2.93Å; L204-S208 WeakPolarHBondContact O-CB 3Å; L204-S208 PolarHBondContact O-N 2.96Å; L204-S208 PolarHBondContact O-OG 2.74Å
205C85.6Confident87Confident6 Ų676.7 Ų76.74%0.04140%0.398CS..Hα-helixtrans-73.4-38177.2-66.30000111.2N24 C202 S208 H209 K210 C212N24-C205 PolarHBondContact ND2-SG 2.94Å; N24-C205 VanDerWaalsContact ND2-SG 3.4Å; C202-C205 PolarHBondContact O-N 2.97Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C205-S208 PolarHBondContact O-N 2.88Å; C205-S208 PolarHBondContact O-OG 3.2Å; C205-H209 PolarHBondContact O-N 2.95Å; C205-K210 PolarHBondContact O-N 3.13Å; C205-K210 VanDerWaalsContact O-N 3.07Å; C205-C212 HydrophobicContact CB-CB 3.66Å; C205-C212 PolarHBondContact SG-SG 3.21Å
206Q83.9Confident87.1Confident118 Ų11879.2 Ų79.255%0.55141%0.406SS*.Hα-helixtrans-61.9-49.1175.1-168.2-178.51300111.3Q201 C202 S208 H209Q201-Q206 HydrophobicContact CB-CB 4.37Å; C202-Q206 PolarHBondContact O-N 2.89Å; Q206-S208 VanDerWaalsContact C-N 3.26Å; Q206-S208 PolarHBondContact O-N 2.99Å; Q206-H209 PolarHBondContact O-N 3.16Å
207K84.1Confident87.1Confident163 Ų16376.3 Ų76.371%0.70939%0.391SS*.Hα-helixtrans-63.5-26.5176.7-74.7170.2-177.3174.60114.1D203D203-K207 VanDerWaalsContact O-CB 3.28Å; D203-K207 WeakPolarHBondContact O-CB 3.34Å; D203-K207 WeakPolarHBondContact O-CD 3.31Å; D203-K207 WeakPolarHBondContact O-CG 3.48Å; D203-K207 PolarHBondContact O-N 3.36Å
208S81.4Confident87.2Confident51 Ų5174.7 Ų74.736%0.35738%0.382SS..THydrogen-bonded Turntrans-98.62.7-179.856.80000114.1L204 C205 Q206 K210L204-S208 WeakPolarHBondContact O-CB 3Å; L204-S208 PolarHBondContact O-N 2.96Å; L204-S208 PolarHBondContact O-OG 2.74Å; C205-S208 PolarHBondContact O-N 2.88Å; C205-S208 PolarHBondContact O-OG 3.2Å; Q206-S208 VanDerWaalsContact C-N 3.26Å; Q206-S208 PolarHBondContact O-N 2.99Å; S208-K210 PolarHBondContact O-N 3.4Å; S208-K210 VanDerWaalsContact O-N 3.16Å
209H79.5Confident87.7Confident182 Ų18276 Ų7684%0.84339%0.386SS*.THydrogen-bonded Turntrans51.231.7-174.1-59.3-76.2000113.8C205 Q206C205-H209 PolarHBondContact O-N 2.95Å; Q206-H209 PolarHBondContact O-N 3.16Å
210K80.8Confident88.2Confident117 Ų11769.4 Ų69.451%0.50935%0.346SS..PPolyproline II helixtrans-101.6146.3-178.8-73.4179.7-177.9178.90111.6C205 S208 C212C205-K210 PolarHBondContact O-N 3.13Å; C205-K210 VanDerWaalsContact O-N 3.07Å; S208-K210 PolarHBondContact O-N 3.4Å; S208-K210 VanDerWaalsContact O-N 3.16Å; K210-C212 PolarHBondContact O-N 2.83Å
211S83.7Confident88.8Confident82 Ų8265.8 Ų65.857%0.57333%0.327SS*.PPolyproline II helixtrans-56118.9168.157.90000110.2
212C91.5Very high89.1Confident2 Ų262.4 Ų62.41%0.01431%0.312CS..PPolyproline II helixtrans-82122178-164.70000109.9M197 N198 Q201 C205 K210M197-C212 VanDerWaalsContact CE-O 3.25Å; M197-C212 WeakPolarHBondContact CE-O 3.45Å; N198-C212 HydrophobicContact CB-CB 3.96Å; N198-C212 PolarHBondContact N-O 2.86Å; N198-C212 PolarHBondContact ND2-SG 3.3Å; Q201-C212 HydrophobicContact CB-CB 4.38Å; Q201-C212 HydrophobicContact CG-CB 4.18Å; C205-C212 HydrophobicContact CB-CB 3.66Å; C205-C212 PolarHBondContact SG-SG 3.21Å; K210-C212 PolarHBondContact O-N 2.83Å
213A94.3Very high89.1Confident5 Ų567 Ų674%0.04133%0.329CS..EExtended strand (participates in β ladder)trans-140.9156.4176.500000110.7H23 C69 P195 I196 M197H23-A213 VanDerWaalsContact CB-O 3.24Å; H23-A213 WeakPolarHBondContact CB-O 3.37Å; C69-A213 WeakPolarHBondContact CA-O 3.44Å; C69-A213 WeakPolarHBondContact CB-O 3.48Å; P195-A213 HydrophobicContact CB-CB 4.37Å; I196-A213 CarbonylContact O-C 3.6Å; I196-A213 WeakPolarHBondContact O-CA 3.29Å; I196-A213 WeakPolarHBondContact O-CB 3.19Å; M197-A213 HydrophobicContact SD-CB 3.93Å
214Y95.5Very high89.3Confident34 Ų3461.8 Ų61.813%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-136156.6178.469.2-82.8000112.1Q21 L22 C69 I196 N198 K216Q21-Y214 HydrophobicContact CB-CD2 3.62Å; Q21-Y214 HydrophobicContact CB-CE2 4.21Å; Q21-Y214 HydrophobicContact CB-CG 3.98Å; Q21-Y214 HydrophobicContact CG-CD2 3.6Å; Q21-Y214 HydrophobicContact CG-CE2 3.64Å; Q21-Y214 HydrophobicContact CG-CG 4.24Å; L22-Y214 WeakPolarHBondContact O-CA 3.27Å; C69-Y214 VanDerWaalsContact SG-CA 3.59Å; I196-Y214 HydrophobicContact CB-CD1 4.24Å; I196-Y214 HydrophobicContact CB-CE1 3.8Å; I196-Y214 HydrophobicContact CB-CE2 4.19Å; I196-Y214 HydrophobicContact CD1-CE2 4Å; I196-Y214 HydrophobicContact CG2-CD1 4.46Å; I196-Y214 HydrophobicContact CG2-CE1 3.61Å; I196-Y214 HydrophobicContact CG2-CE2 4.49Å; I196-Y214 PolarHBondContact N-O 2.79Å; I196-Y214 WeakPolarHBondContact O-CD1 3.35Å; I196-Y214 PolarHBondContact O-N 2.72Å; N198-Y214 WeakPolarHBondContact OD1-CD1 3.37Å; N198-Y214 VanDerWaalsContact OD1-CE1 3.22Å; N198-Y214 WeakPolarHBondContact OD1-CE1 3.48Å; Y214-K216 HydrophobicContact CE2-CB 4.14Å
215L97Very high89.7Confident0 Ų058.9 Ų58.90%029%0.29CS..EExtended strand (participates in β ladder)trans-92.8125.8164.9-60.3-171.9000108.7L22 L66 C69 I71 I191 S192 F193 P195 C217L22-L215 HydrophobicContact CB-CB 4.4Å; L22-L215 PolarHBondContact N-O 3.32Å; L22-L215 PolarHBondContact O-N 2.9Å; L66-L215 HydrophobicContact CD2-CD1 3.72Å; C69-L215 HydrophobicContact CB-CG 4.36Å; C69-L215 VanDerWaalsContact SG-CD2 3.56Å; I71-L215 HydrophobicContact CD1-CD1 3.88Å; I71-L215 HydrophobicContact CD1-CG 4Å; I191-L215 HydrophobicContact CG2-CB 4.3Å; I191-L215 HydrophobicContact CG2-CD1 4.09Å; S192-L215 WeakPolarHBondContact O-CB 3.43Å; F193-L215 HydrophobicContact CD1-CD1 3.92Å; F193-L215 HydrophobicContact CE1-CD1 4.32Å; P195-L215 HydrophobicContact CB-CD2 4.48Å; P195-L215 HydrophobicContact CG-CD2 4.15Å; L215-C217 PolarHBondContact O-N 3.43Å
216K96.6Very high89.8Confident83 Ų8359.3 Ų59.336%0.36130%0.295SS..EExtended strand (participates in β ladder)trans-73.6124.7172.1178.8167-179.5159.40108.8E19 S192 I196 Y214E19-K216 VanDerWaalsContact CD-CE 3.47Å; E19-K216 WeakPolarHBondContact OE1-CE 3.48Å; E19-K216 IonicContact OE1-NZ 2.99Å; E19-K216 PolarHBondContact OE1-NZ 3.45Å; E19-K216 WeakPolarHBondContact OE2-CE 3.15Å; E19-K216 IonicContact OE2-NZ 2.97Å; E19-K216 PolarHBondContact OE2-NZ 3.44Å; S192-K216 PolarHBondContact N-O 2.85Å; I196-K216 HydrophobicContact CD1-CB 3.87Å; Y214-K216 HydrophobicContact CE2-CB 4.14Å
217C95.9Very high90Very high2 Ų253.9 Ų53.91%0.01427%0.27CS..EExtended strand (participates in β ladder)trans-143.3-173.917269.30000113.4Y20 Y190 I191 L215Y20-C217 PolarHBondContact N-O 2.93Å; Y20-C217 PolarHBondContact O-N 3.31Å; Y20-C217 VanDerWaalsContact O-O 3.14Å; Y20-C217 PolarHBondContact O-SG 3.08Å; Y190-C217 WeakPolarHBondContact O-CA 2.8Å; Y190-C217 VanDerWaalsContact O-CB 3.3Å; Y190-C217 WeakPolarHBondContact O-CB 3.34Å; I191-C217 HydrophobicContact CB-CB 4.08Å; I191-C217 HydrophobicContact CG1-CB 3.71Å; I191-C217 HydrophobicContact CG2-CB 4.29Å; L215-C217 PolarHBondContact O-N 3.43Å
218Q96Very high90.1Very high64 Ų6452.2 Ų52.230%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-122.4134.6170.1-61.5-174.9-14.100110.6F17 V18 P187 Y190F17-Q218 HydrophobicContact CB-CB 4.22Å; V18-Q218 CarbonylContact O-C 3.53Å; V18-Q218 VanDerWaalsContact O-CA 3.25Å; V18-Q218 WeakPolarHBondContact O-CA 3.25Å; P187-Q218 WeakPolarHBondContact CD-O 3.28Å; Y190-Q218 HydrophobicContact CD2-CB 3.87Å; Y190-Q218 HydrophobicContact CG-CB 4.32Å; Y190-Q218 PolarHBondContact O-N 3.07Å
219K95.1Very high90.3Very high60 Ų6056.5 Ų56.526%0.26128%0.282SS..EExtended strand (participates in β ladder)trans-96.3134.3175179.5-179.468173.30109.9F17 V18 Y20 C184 L186F17-K219 WeakPolarHBondContact CA-O 3.45Å; V18-K219 HydrophobicContact CG1-CB 4.05Å; V18-K219 PolarHBondContact N-O 2.92Å; V18-K219 PolarHBondContact O-N 3.42Å; Y20-K219 HydrophobicContact CD2-CD 4.33Å; Y20-K219 HydrophobicContact CG-CB 4.19Å; C184-K219 HydrophobicContact CB-CD 3.62Å; C184-K219 HydrophobicContact CB-CG 3.97Å; L186-K219 HydrophobicContact CD2-CB 3.64Å; L186-K219 HydrophobicContact CD2-CG 3.93Å
220F94.8Very high90.5Very high6 Ų650 Ų503%0.02625%0.253CS..EExtended strand (participates in β ladder)trans-69.2134.7172.4175.5-115.8000111.2L10 N16 F17 Y173 F185 I222 L227L10-F220 HydrophobicContact CD1-CE2 3.97Å; L10-F220 HydrophobicContact CD1-CZ 4.16Å; L10-F220 HydrophobicContact CD2-CE2 4.33Å; N16-F220 HydrophobicContact CB-CE2 4.29Å; N16-F220 VanDerWaalsContact O-CD2 3.29Å; N16-F220 WeakPolarHBondContact O-CD2 3.46Å; F17-F220 HydrophobicContact CD1-CB 4.22Å; F17-F220 HydrophobicContact CD1-CD2 4.28Å; F17-F220 HydrophobicContact CE1-CB 4.09Å; F17-F220 AromaticContact CE1-CD2 3.82Å; F17-F220 HydrophobicContact CE1-CD2 3.82Å; F17-F220 HydrophobicContact CE1-CG 4.43Å; F17-F220 HydrophobicContact CZ-CD2 4.17Å; Y173-F220 HydrophobicContact CD1-CB 4.24Å; Y173-F220 AromaticContact CD1-CD1 3.65Å; Y173-F220 HydrophobicContact CD1-CD1 3.65Å; Y173-F220 AromaticContact CD1-CD2 3.55Å; Y173-F220 HydrophobicContact CD1-CD2 3.55Å; Y173-F220 AromaticContact CD1-CE1 3.78Å; Y173-F220 HydrophobicContact CD1-CE1 3.78Å; Y173-F220 AromaticContact CD1-CE2 3.7Å; Y173-F220 HydrophobicContact CD1-CE2 3.7Å; Y173-F220 AromaticContact CD1-CG 3.53Å; Y173-F220 HydrophobicContact CD1-CG 3.53Å; Y173-F220 AromaticContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CD1-CZ 3.8Å; Y173-F220 HydrophobicContact CE1-CB 4.04Å; Y173-F220 HydrophobicContact CE1-CD1 4.3Å; Y173-F220 AromaticContact CE1-CD2 3.58Å; Y173-F220 HydrophobicContact CE1-CD2 3.58Å; Y173-F220 HydrophobicContact CE1-CE2 4.07Å; Y173-F220 AromaticContact CE1-CG 3.71Å; Y173-F220 HydrophobicContact CE1-CG 3.71Å; F185-F220 HydrophobicContact CB-CB 4.19Å; F185-F220 HydrophobicContact CD1-CB 4.01Å; F185-F220 HydrophobicContact CD1-CD1 4.47Å; F185-F220 HydrophobicContact CD1-CG 4.45Å; F185-F220 PolarHBondContact O-N 3.29Å; F220-I222 HydrophobicContact CD1-CG1 4.33Å; F220-I222 HydrophobicContact CE1-CG1 4.39Å; F220-L227 HydrophobicContact CE1-CD1 4.35Å; F220-L227 HydrophobicContact CZ-CD1 3.85Å; F220-L227 HydrophobicContact CZ-CG 4.44Å
221L92.6Very high90.6Very high61 Ų6147.6 Ų47.632%0.31925%0.249SC..  trans-92.7109.7173.6-64.8179.5000109.5N16 V18 H223 G224N16-L221 PolarHBondContact O-N 3.24Å; V18-L221 HydrophobicContact CB-CD1 4.27Å; V18-L221 HydrophobicContact CB-CD2 4.24Å; V18-L221 HydrophobicContact CB-CG 4.34Å; V18-L221 HydrophobicContact CG1-CD2 3.73Å; V18-L221 HydrophobicContact CG1-CG 4.22Å; L221-H223 PolarHBondContact O-N 2.64Å; L221-H223 VanDerWaalsContact O-N 3.17Å; L221-G224 WeakPolarHBondContact O-CA 3.3Å; L221-G224 PolarHBondContact O-N 2.92Å
222I86.6Confident90.1Very high25 Ų2545.4 Ų45.413%0.12823%0.232CC..THydrogen-bonded Turntrans-57.9-30.5176.9-56.7-179.5000111.3I176 N178 F220 R235I176-I222 HydrophobicContact CG2-CD1 4.05Å; N178-I222 HydrophobicContact CB-CG2 3.87Å; N178-I222 WeakPolarHBondContact OD1-CG2 3.22Å; F220-I222 HydrophobicContact CD1-CG1 4.33Å; F220-I222 HydrophobicContact CE1-CG1 4.39Å; I222-R235 PolarHBondContact O-NH1 3.22Å; I222-R235 PolarHBondContact O-NH2 3.34Å
223H86.1Confident89.3Confident130 Ų13052.6 Ų52.660%0.60227%0.269SS*.THydrogen-bonded Turntrans-95.817.3172.2-67.8-57.9000114.4N178 L221N178-H223 PolarHBondContact ND2-CE1 3.26Å; N178-H223 PolarHBondContact ND2-NE2 3.31Å; N178-H223 PolarHBondContact OD1-NE2 3.35Å; L221-H223 PolarHBondContact O-N 2.64Å; L221-H223 VanDerWaalsContact O-N 3.17Å
224G89.4Confident88.8Confident2 Ų256.8 Ų56.82%0.02129%0.288CS..SBendtrans-62.1156.9175.800000112.6N16 L221 G226 L227 K228N16-G224 VanDerWaalsContact OD1-C 3.23Å; L221-G224 WeakPolarHBondContact O-CA 3.3Å; L221-G224 PolarHBondContact O-N 2.92Å; G224-G226 PolarHBondContact O-N 3.32Å; G224-L227 PolarHBondContact O-N 3.14Å; G224-K228 WeakPolarHBondContact O-CB 3.25Å; G224-K228 PolarHBondContact O-N 2.91Å
225P92.4Very high88.1Confident43 Ų4355.4 Ų55.428%0.27928%0.283SS..THydrogen-bonded Turntrans-54.8-23.9-17520.4-32.3000115.4D13 R15 N16D13-P225 WeakPolarHBondContact OD2-CG 3.48Å; R15-P225 HydrophobicContact CB-CG 3.82Å; R15-P225 WeakPolarHBondContact O-CD 3.44Å; N16-P225 WeakPolarHBondContact OD1-CD 3.39Å; N16-P225 VanDerWaalsContact OD1-N 3.12Å
226G88.4Confident86.9Confident16 Ų1659 Ų5917%0.16531%0.307CS..THydrogen-bonded Turntrans-73.7-29.217700000115.1N16 G224N16-G226 PolarHBondContact OD1-N 2.93Å; G224-G226 PolarHBondContact O-N 3.32Å
227L88.1Confident86Confident4 Ų460 Ų602%0.02132%0.316CS..THydrogen-bonded Turntrans-124.7-3.1-179.6-62.4-174.1000114.5L10 Y173 I174 F220 G224 N229 L230 R235 L238L10-L227 HydrophobicContact CD2-CD2 4.44Å; L10-L227 HydrophobicContact CD2-CG 4.05Å; Y173-L227 WeakPolarHBondContact O-CD1 2.98Å; I174-L227 HydrophobicContact CG2-CD1 4.12Å; F220-L227 HydrophobicContact CE1-CD1 4.35Å; F220-L227 HydrophobicContact CZ-CD1 3.85Å; F220-L227 HydrophobicContact CZ-CG 4.44Å; G224-L227 PolarHBondContact O-N 3.14Å; L227-N229 PolarHBondContact O-N 2.95Å; L227-N229 VanDerWaalsContact O-N 3.11Å; L227-L230 PolarHBondContact O-N 3.39Å; L227-R235 PolarHBondContact O-NH2 3.17Å; L227-L238 HydrophobicContact CD2-CD2 3.91Å
228K86.4Confident85.1Confident127 Ų12762 Ų6255%0.55233%0.327SS*.THydrogen-bonded Turntrans-56.1-29.7-176.862.4167.1-173.2169.50115.1G224 L230G224-K228 WeakPolarHBondContact O-CB 3.25Å; G224-K228 PolarHBondContact O-N 2.91Å; K228-L230 VanDerWaalsContact C-N 3.33Å
229N85.3Confident83.9Confident142 Ų14259.3 Ų59.376%0.75932%0.316SS*.THydrogen-bonded Turntrans-88.3-1.9-178.8-68.5-0.4000112.3L227L227-N229 PolarHBondContact O-N 2.95Å; L227-N229 VanDerWaalsContact O-N 3.11Å
230L84.7Confident82.8Confident44 Ų4459.3 Ų59.323%0.2332%0.323CS..SBendtrans-113.7108.3-177.5-165.567.9000109.9L227 K228 Q234 R235 L238L227-L230 PolarHBondContact O-N 3.39Å; K228-L230 VanDerWaalsContact C-N 3.33Å; L230-Q234 HydrophobicContact CD1-CB 3.75Å; L230-Q234 HydrophobicContact CG-CB 4.11Å; L230-R235 HydrophobicContact CD2-CB 4.49Å; L230-R235 HydrophobicContact CD2-CG 3.99Å; L230-R235 HydrophobicContact CG-CG 4.22Å; L230-R235 PolarHBondContact O-NE 2.83Å; L230-R235 PolarHBondContact O-NH2 2.95Å; L230-L238 HydrophobicContact CD2-CB 3.69Å; L230-L238 HydrophobicContact CD2-CD2 3.75Å; L230-L238 HydrophobicContact CD2-CG 4.27Å
231P81.4Confident81.9Confident67 Ų6765.3 Ų65.344%0.43536%0.355SS..  trans-50.5142.5173.3-26.834.2000111.5I233 Q234 R235P231-I233 HydrophobicContact CB-CG2 4.41Å; P231-I233 PolarHBondContact O-N 3.46Å; P231-I233 VanDerWaalsContact O-N 3.12Å; P231-Q234 HydrophobicContact CB-CG 4.41Å; P231-Q234 WeakPolarHBondContact O-CA 3.41Å; P231-Q234 PolarHBondContact O-N 3.46Å; P231-R235 PolarHBondContact O-N 3.33Å
232T74.5Confident80.8Confident36 Ų3666.1 Ų66.122%0.22136%0.359CS..Hα-helixtrans-50.4-43.3-175.9-42.50000112.4N178 Q234 R235N178-T232 HydrophobicContact CB-CG2 4.47Å; T232-Q234 PolarHBondContact O-N 3.02Å; T232-R235 VanDerWaalsContact O-CB 3.31Å; T232-R235 WeakPolarHBondContact O-CB 3.4Å; T232-R235 WeakPolarHBondContact O-CG 3.37Å; T232-R235 PolarHBondContact O-N 3.31Å
233I74.8Confident79.6Confident153 Ų15367.9 Ų67.979%0.78538%0.384SS*.Hα-helixtrans-64.9-21.9179.7-157.8164.6000114.2P231P231-I233 HydrophobicContact CB-CG2 4.41Å; P231-I233 PolarHBondContact O-N 3.46Å; P231-I233 VanDerWaalsContact O-N 3.12Å
234Q82.9Confident78.2Confident94 Ų9463.2 Ų63.244%0.43936%0.362SS..Hα-helixtrans-92.1-5.3176.7-64.6-177.9-8.200112.9L230 P231 T232 L237 L238L230-Q234 HydrophobicContact CD1-CB 3.75Å; L230-Q234 HydrophobicContact CG-CB 4.11Å; P231-Q234 HydrophobicContact CB-CG 4.41Å; P231-Q234 WeakPolarHBondContact O-CA 3.41Å; P231-Q234 PolarHBondContact O-N 3.46Å; T232-Q234 PolarHBondContact O-N 3.02Å; Q234-L237 WeakPolarHBondContact O-CB 3.42Å; Q234-L237 PolarHBondContact O-N 2.9Å; Q234-L238 PolarHBondContact O-N 3.03Å
235R80.1Confident76.4Confident4 Ų469.4 Ų69.42%0.01539%0.391CS..Hα-helixtrans-69.6-35.6-179.9-62.6-178.1-179.5-156.4-3.3112.4I174 I222 L227 L230 P231 T232 L237 L238 A239I174-R235 HydrophobicContact CB-CB 3.84Å; I174-R235 HydrophobicContact CG2-CB 3.97Å; I222-R235 PolarHBondContact O-NH1 3.22Å; I222-R235 PolarHBondContact O-NH2 3.34Å; L227-R235 PolarHBondContact O-NH2 3.17Å; L230-R235 HydrophobicContact CD2-CB 4.49Å; L230-R235 HydrophobicContact CD2-CG 3.99Å; L230-R235 HydrophobicContact CG-CG 4.22Å; L230-R235 PolarHBondContact O-NE 2.83Å; L230-R235 PolarHBondContact O-NH2 2.95Å; P231-R235 PolarHBondContact O-N 3.33Å; T232-R235 VanDerWaalsContact O-CB 3.31Å; T232-R235 WeakPolarHBondContact O-CB 3.4Å; T232-R235 WeakPolarHBondContact O-CG 3.37Å; T232-R235 PolarHBondContact O-N 3.31Å; R235-L237 PolarHBondContact O-N 3.36Å; R235-L238 WeakPolarHBondContact O-CB 3.18Å; R235-L238 PolarHBondContact O-N 3.03Å; R235-A239 PolarHBondContact O-N 2.97Å
236S72.1Confident74.3Confident75 Ų7569.7 Ų69.752%0.52439%0.394SS..Hα-helixtrans-61.7-31.4171.2-48.90000112.3A239 S240S236-A239 WeakPolarHBondContact O-CB 3.4Å; S236-A239 PolarHBondContact O-N 3Å; S236-S240 PolarHBondContact O-N 3.2Å; S236-S240 VanDerWaalsContact O-N 3.15Å; S236-S240 PolarHBondContact O-OG 2.9Å
237L77.3Confident72.1Confident104 Ų10474.4 Ų74.455%0.54542%0.42SS..Hα-helixtrans-71.7-39.8173.9-17764.3000111.9Q234 R235 A239 S240 L241Q234-L237 WeakPolarHBondContact O-CB 3.42Å; Q234-L237 PolarHBondContact O-N 2.9Å; R235-L237 PolarHBondContact O-N 3.36Å; L237-A239 PolarHBondContact O-N 2.99Å; L237-S240 PolarHBondContact O-N 3.45Å; L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CG 4.4Å; L237-L241 WeakPolarHBondContact O-CB 3.27Å; L237-L241 VanDerWaalsContact O-CG 3.27Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.96Å
238L78.4Confident69.8Low46 Ų4679.9 Ų79.924%0.24145%0.448CS..Hα-helixtrans-58.4-39.3171.1176.869.7000111.1L227 L230 Q234 R235 L241 L242L227-L238 HydrophobicContact CD2-CD2 3.91Å; L230-L238 HydrophobicContact CD2-CB 3.69Å; L230-L238 HydrophobicContact CD2-CD2 3.75Å; L230-L238 HydrophobicContact CD2-CG 4.27Å; Q234-L238 PolarHBondContact O-N 3.03Å; R235-L238 WeakPolarHBondContact O-CB 3.18Å; R235-L238 PolarHBondContact O-N 3.03Å; L238-L241 PolarHBondContact O-N 3.21Å; L238-L242 HydrophobicContact CD1-CD1 3.87Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CD2-CD1 4.43Å; L238-L242 HydrophobicContact CG-CD1 3.86Å; L238-L242 HydrophobicContact CG-CG 4.33Å; L238-L242 WeakPolarHBondContact O-CB 3.13Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 2.89Å
239A70.7Confident67.2Low7 Ų778.1 Ų78.16%0.05845%0.448CS..Hα-helixtrans-51.5-58.8171.600000111.8I174 R235 S236 L237 L241 L242 G243 I244I174-A239 HydrophobicContact CD1-CB 3.31Å; R235-A239 PolarHBondContact O-N 2.97Å; S236-A239 WeakPolarHBondContact O-CB 3.4Å; S236-A239 PolarHBondContact O-N 3Å; L237-A239 PolarHBondContact O-N 2.99Å; A239-L241 PolarHBondContact O-N 3.25Å; A239-L242 PolarHBondContact O-N 3.36Å; A239-G243 PolarHBondContact O-N 3.4Å; A239-I244 HydrophobicContact CB-CD1 3.42Å; A239-I244 VanDerWaalsContact CB-CD1 3.42Å; A239-I244 HydrophobicContact CB-CG1 4.17Å; A239-I244 WeakPolarHBondContact O-CG1 3.5Å; A239-I244 PolarHBondContact O-N 3.4Å; A239-I244 VanDerWaalsContact O-N 3.09Å
240S70.8Confident64.8Low60 Ų6078.5 Ų78.542%0.4245%0.449SS..Hα-helixtrans-61.2-42.4-179.7-520000112S236 L237 L242 G243S236-S240 PolarHBondContact O-N 3.2Å; S236-S240 VanDerWaalsContact O-N 3.15Å; S236-S240 PolarHBondContact O-OG 2.9Å; L237-S240 PolarHBondContact O-N 3.45Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.41Å; S240-G243 PolarHBondContact O-N 2.91Å
241L75.9Confident62.4Low132 Ų13286.3 Ų86.369%0.69148%0.475SS*.Hα-helixtrans-66-30.5178.3-70.1172.4000113.5L237 L238 A239L237-L241 HydrophobicContact CD1-CG 4.43Å; L237-L241 HydrophobicContact CG-CD1 4.05Å; L237-L241 HydrophobicContact CG-CG 4.4Å; L237-L241 WeakPolarHBondContact O-CB 3.27Å; L237-L241 VanDerWaalsContact O-CG 3.27Å; L237-L241 WeakPolarHBondContact O-CG 3.14Å; L237-L241 PolarHBondContact O-N 2.96Å; L238-L241 PolarHBondContact O-N 3.21Å; A239-L241 PolarHBondContact O-N 3.25Å
242L71.2Confident60.4Low77 Ų7791.6 Ų91.640%0.40349%0.488SS..THydrogen-bonded Turntrans-83.83173.8-68.7177.5000113.4V3 L6 L238 A239 S240V3-L242 HydrophobicContact CG1-CB 3.44Å; V3-L242 VanDerWaalsContact CG1-CB 3.44Å; V3-L242 HydrophobicContact CG1-CD1 3.82Å; V3-L242 HydrophobicContact CG1-CG 4.3Å; L6-L242 HydrophobicContact CD1-CD1 4.45Å; L238-L242 HydrophobicContact CD1-CD1 3.87Å; L238-L242 HydrophobicContact CD1-CG 4.03Å; L238-L242 HydrophobicContact CD2-CD1 4.43Å; L238-L242 HydrophobicContact CG-CD1 3.86Å; L238-L242 HydrophobicContact CG-CG 4.33Å; L238-L242 WeakPolarHBondContact O-CB 3.13Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.27Å; L238-L242 PolarHBondContact O-N 2.89Å; A239-L242 PolarHBondContact O-N 3.36Å; S240-L242 VanDerWaalsContact C-N 3.33Å; S240-L242 PolarHBondContact O-N 3.41Å
243G60.5Low58.8Low63 Ų6393.3 Ų93.365%0.64950%0.5SS*.THydrogen-bonded Turntrans95.332.9171.600000115.2A239 S240A239-G243 PolarHBondContact O-N 3.4Å; S240-G243 PolarHBondContact O-N 2.91Å
244I57.2Low57.4Low31 Ų3193.8 Ų93.816%0.15950%0.504CS..  trans-82.9116.8158.5-47178.6000109.7V3 I174 A239 S246V3-I244 HydrophobicContact CB-CD1 4.37Å; V3-I244 HydrophobicContact CB-CG1 4.37Å; V3-I244 HydrophobicContact CG1-CD1 4.48Å; V3-I244 HydrophobicContact CG1-CG1 4.21Å; V3-I244 HydrophobicContact CG2-CD1 3.54Å; V3-I244 HydrophobicContact CG2-CG1 4.07Å; I174-I244 HydrophobicContact CD1-CD1 4.29Å; A239-I244 HydrophobicContact CB-CD1 3.42Å; A239-I244 VanDerWaalsContact CB-CD1 3.42Å; A239-I244 HydrophobicContact CB-CG1 4.17Å; A239-I244 WeakPolarHBondContact O-CG1 3.5Å; A239-I244 PolarHBondContact O-N 3.4Å; A239-I244 VanDerWaalsContact O-N 3.09Å; I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 WeakPolarHBondContact CG2-OG 3.13Å; I244-S246 PolarHBondContact O-N 3.18Å
245E51.3Low55.8Low133 Ų13396.1 Ų96.162%0.62152%0.515SS*.  trans-80.178163-69.9171-167.300109.2
246S48.5Very low54.5Low48 Ų48102.4 Ų102.434%0.33655%0.548SS..  trans-145.285.3173.370.30000112.5I244I244-S246 VanDerWaalsContact C-N 3.33Å; I244-S246 WeakPolarHBondContact CG2-OG 3.13Å; I244-S246 PolarHBondContact O-N 3.18Å
247T41.4Very low53.6Low116 Ų116104.2 Ų104.271%0.71255%0.55SS**  trans-83.7111.8155.2470000107.9T249T247-T249 PolarHBondContact O-N 3.39Å
248I39.8Very low52.8Low119 Ų119101.2 Ų101.261%0.6155%0.545SS*.  trans-65.3116.3178.5-60.5166.9000109L250I248-L250 HydrophobicContact CG2-CD1 4.19Å
249T32.8Very low52.2Low90 Ų90101.3 Ų101.355%0.55255%0.546SS*.  trans-134.3107.3160.736.30000108.7T247 R251T247-T249 PolarHBondContact O-N 3.39Å; T249-R251 PolarHBondContact O-N 3.22Å
250L33.4Very low52.3Low149 Ų149106.2 Ų106.278%0.7857%0.565SS**  trans-62.2108.2163.5-78.987.4000107.7I248I248-L250 HydrophobicContact CG2-CD1 4.19Å
251R35.6Very low52.3Low208 Ų208109 Ų10979%0.78557%0.57SS**  trans-133.8110.6159.3-72-168.5-178-178.42107.6T249T249-R251 PolarHBondContact O-N 3.22Å
252Y40.2Very low52Low178 Ų178109.4 Ų109.470%0.69856%0.562SS**  trans-52.1136.7161.9-68.2-83.3000108.5D254Y252-D254 PolarHBondContact O-N 3.21Å; Y252-D254 VanDerWaalsContact O-N 3.15Å
253P40.7Very low51.9Low72 Ų72109.7 Ų109.747%0.46856%0.564SS.*  trans-72.2108.3167.730.6-32.3000107.7Q255 I257P253-Q255 PolarHBondContact O-N 2.71Å; P253-I257 HydrophobicContact CB-CG1 4.21Å; P253-I257 HydrophobicContact CG-CD1 4.24Å; P253-I257 HydrophobicContact CG-CG1 4.08Å
254D43.9Very low52.2Low163 Ų163114.9 Ų114.987%0.87257%0.572SS**SBendtrans-61.55.2173.2-60-37.1000113.4Y252Y252-D254 PolarHBondContact O-N 3.21Å; Y252-D254 VanDerWaalsContact O-N 3.15Å
255Q49.3Very low52.8Low144 Ų144120.5 Ų120.567%0.67360%0.601SS**SBendtrans-140.9134.3-178.6-59.2-178.48.600109P253 I257P253-Q255 PolarHBondContact O-N 2.71Å; Q255-I257 PolarHBondContact O-N 2.86Å; Q255-I257 VanDerWaalsContact O-N 3.14Å
256L52.9Low53.8Low136 Ų136115.7 Ų115.771%0.71258%0.583SS**  trans-52.4120.5172.2-81.2163.9000110.5G258 L259L256-G258 PolarHBondContact O-N 3.49Å; L256-G258 VanDerWaalsContact O-N 3.09Å; L256-L259 HydrophobicContact CB-CB 3.86Å; L256-L259 HydrophobicContact CB-CD2 4.26Å; L256-L259 HydrophobicContact CD1-CD2 3.84Å; L256-L259 PolarHBondContact O-N 3.34Å
257I54.4Low55.1Low112 Ų112117 Ų11757%0.57458%0.581SS**THydrogen-bonded Turntrans-56.8119-173.8-60.2177.3000109.9P253 Q255P253-I257 HydrophobicContact CB-CG1 4.21Å; P253-I257 HydrophobicContact CG-CD1 4.24Å; P253-I257 HydrophobicContact CG-CG1 4.08Å; Q255-I257 PolarHBondContact O-N 2.86Å; Q255-I257 VanDerWaalsContact O-N 3.14Å
258G60.9Low56.9Low42 Ų42112.7 Ų112.743%0.43355%0.551SS.*THydrogen-bonded Turntrans90.6-17.2179.400000115.5L256 K260 I269L256-G258 PolarHBondContact O-N 3.49Å; L256-G258 VanDerWaalsContact O-N 3.09Å; G258-K260 PolarHBondContact O-N 3.45Å; G258-I269 WeakPolarHBondContact O-CA 3.34Å
259L65.8Low58.6Low48 Ų48109.6 Ų109.625%0.25154%0.536SS..  trans-85.9108.3176.9-168.574.9000110.4L256 Y267 I269 V287L256-L259 HydrophobicContact CB-CB 3.86Å; L256-L259 HydrophobicContact CB-CD2 4.26Å; L256-L259 HydrophobicContact CD1-CD2 3.84Å; L256-L259 PolarHBondContact O-N 3.34Å; L259-Y267 HydrophobicContact CD1-CD1 4.39Å; L259-Y267 HydrophobicContact CD1-CG 4.36Å; L259-Y267 HydrophobicContact CD2-CD1 3.77Å; L259-Y267 HydrophobicContact CD2-CE1 4.24Å; L259-Y267 HydrophobicContact CD2-CG 4.32Å; L259-Y267 HydrophobicContact CG-CD1 3.88Å; L259-Y267 HydrophobicContact CG-CG 4.34Å; L259-I269 HydrophobicContact CD1-CG2 4Å; L259-V287 HydrophobicContact CD1-CG2 3.42Å; L259-V287 VanDerWaalsContact CD1-CG2 3.42Å
260K71Confident60.4Low109 Ų109107.6 Ų107.647%0.47452%0.524SS..EExtended strand (participates in β ladder)trans-106.9133.7178.4-67.4-170.9176.4-169.60110.6G258 Y267 Y268G258-K260 PolarHBondContact O-N 3.45Å; K260-Y267 CarbonylContact O-C 3.54Å; K260-Y267 WeakPolarHBondContact O-CA 3.41Å; K260-Y268 HydrophobicContact CB-CD1 3.96Å; K260-Y268 HydrophobicContact CB-CD2 4.28Å; K260-Y268 HydrophobicContact CB-CE1 3.44Å; K260-Y268 VanDerWaalsContact CB-CE1 3.44Å; K260-Y268 HydrophobicContact CB-CE2 3.79Å; K260-Y268 HydrophobicContact CB-CG 4.37Å; K260-Y268 HydrophobicContact CD-CE2 4.02Å; K260-Y268 WeakPolarHBondContact CD-OH 3.35Å; K260-Y268 HydrophobicContact CG-CE2 4.39Å; K260-Y268 PolarHBondContact N-O 3.11Å; K260-Y268 WeakPolarHBondContact O-CD1 3.16Å; K260-Y268 PolarHBondContact O-N 2.68Å
261K71.6Confident62.1Low118 Ų118104.7 Ų104.751%0.51351%0.506SS..EExtended strand (participates in β ladder)trans-72.4132.9173.9-163.9158.3-172.7166.40109.6N263 Q264 Y267K261-N263 WeakPolarHBondContact CE-O 3.49Å; K261-N263 WeakPolarHBondContact CG-O 3.29Å; K261-Q264 VanDerWaalsContact CE-C 3.46Å; K261-Q264 WeakPolarHBondContact CE-O 3.39Å; K261-Q264 PolarHBondContact NZ-O 3.29Å; K261-Y267 HydrophobicContact CB-CD1 4.4Å; K261-Y267 HydrophobicContact CB-CE1 4.41Å; K261-Y267 HydrophobicContact CD-CE1 4.31Å; K261-Y267 HydrophobicContact CG-CE1 4.31Å
262W69.5Low63.6Low141 Ų141102.1 Ų102.153%0.53450%0.497SS..  trans-98.3-46.1174.9176.6-106.8000111.3S266 Y268 Y286W262-S266 PolarHBondContact N-O 3.02Å; W262-Y268 HydrophobicContact CB-CD1 3.92Å; W262-Y268 HydrophobicContact CB-CE1 4.29Å; W262-Y268 HydrophobicContact CE3-CE1 4.21Å; W262-Y286 HydrophobicContact CB-CE1 4.37Å; W262-Y286 HydrophobicContact CD2-CE1 4.32Å; W262-Y286 HydrophobicContact CG-CE1 4.04Å
263N70Confident64.5Low83 Ų8398 Ų9844%0.44449%0.487SS..SBendtrans-144.9-170.7171.36819.1000109.4K261 L265 S266K261-N263 WeakPolarHBondContact CE-O 3.49Å; K261-N263 WeakPolarHBondContact CG-O 3.29Å; N263-L265 PolarHBondContact O-N 2.75Å; N263-L265 PolarHBondContact OD1-N 2.78Å; N263-L265 VanDerWaalsContact OD1-N 3.11Å; N263-S266 PolarHBondContact N-O 3.36Å; N263-S266 PolarHBondContact ND2-OG 2.87Å; N263-S266 WeakPolarHBondContact OD1-CB 3.37Å; N263-S266 PolarHBondContact OD1-N 3.04Å; N263-S266 PolarHBondContact OD1-OG 3.08Å
264Q67.2Low65.3Low173 Ų173102.4 Ų102.481%0.80849%0.494SS*.SBendtrans-54.1-29.5-175.8-76.6-178.6-16.500115K261K261-Q264 VanDerWaalsContact CE-C 3.46Å; K261-Q264 WeakPolarHBondContact CE-O 3.39Å; K261-Q264 PolarHBondContact NZ-O 3.29Å
265L69.2Low65.9Low148 Ų148102.4 Ų102.478%0.77549%0.487SS*.SBendtrans-120.8-14.5-170.9-66.8169000115.1N263N263-L265 PolarHBondContact O-N 2.75Å; N263-L265 PolarHBondContact OD1-N 2.78Å; N263-L265 VanDerWaalsContact OD1-N 3.11Å
266S71.2Confident66.4Low33 Ų3398.3 Ų98.323%0.23148%0.483CS..  trans-116.8142.9-175.462.80000113.2W262 N263W262-S266 PolarHBondContact N-O 3.02Å; N263-S266 PolarHBondContact N-O 3.36Å; N263-S266 PolarHBondContact ND2-OG 2.87Å; N263-S266 WeakPolarHBondContact OD1-CB 3.37Å; N263-S266 PolarHBondContact OD1-N 3.04Å; N263-S266 PolarHBondContact OD1-OG 3.08Å
267Y76.4Confident66.4Low75 Ų7595.5 Ų95.529%0.29448%0.48SS..EExtended strand (participates in β ladder)trans-122.8156.8-177.9-60.7-96.7000110L259 K260 K261 Y286 V287L259-Y267 HydrophobicContact CD1-CD1 4.39Å; L259-Y267 HydrophobicContact CD1-CG 4.36Å; L259-Y267 HydrophobicContact CD2-CD1 3.77Å; L259-Y267 HydrophobicContact CD2-CE1 4.24Å; L259-Y267 HydrophobicContact CD2-CG 4.32Å; L259-Y267 HydrophobicContact CG-CD1 3.88Å; L259-Y267 HydrophobicContact CG-CG 4.34Å; K260-Y267 CarbonylContact O-C 3.54Å; K260-Y267 WeakPolarHBondContact O-CA 3.41Å; K261-Y267 HydrophobicContact CB-CD1 4.4Å; K261-Y267 HydrophobicContact CB-CE1 4.41Å; K261-Y267 HydrophobicContact CD-CE1 4.31Å; K261-Y267 HydrophobicContact CG-CE1 4.31Å; Y267-Y286 WeakPolarHBondContact O-CA 3.23Å; Y267-V287 PolarHBondContact O-N 3.46Å
268Y79.6Confident66.2Low25 Ų2598.5 Ų98.510%0.09849%0.489CS..EExtended strand (participates in β ladder)trans-139.4144.5171.270.1-80.9000111K260 W262 K284 V285K260-Y268 HydrophobicContact CB-CD1 3.96Å; K260-Y268 HydrophobicContact CB-CD2 4.28Å; K260-Y268 HydrophobicContact CB-CE1 3.44Å; K260-Y268 VanDerWaalsContact CB-CE1 3.44Å; K260-Y268 HydrophobicContact CB-CE2 3.79Å; K260-Y268 HydrophobicContact CB-CG 4.37Å; K260-Y268 HydrophobicContact CD-CE2 4.02Å; K260-Y268 WeakPolarHBondContact CD-OH 3.35Å; K260-Y268 HydrophobicContact CG-CE2 4.39Å; K260-Y268 PolarHBondContact N-O 3.11Å; K260-Y268 WeakPolarHBondContact O-CD1 3.16Å; K260-Y268 PolarHBondContact O-N 2.68Å; W262-Y268 HydrophobicContact CB-CD1 3.92Å; W262-Y268 HydrophobicContact CB-CE1 4.29Å; W262-Y268 HydrophobicContact CE3-CE1 4.21Å; Y268-K284 HydrophobicContact CD2-CB 3.79Å; Y268-K284 HydrophobicContact CD2-CD 3.61Å; Y268-K284 HydrophobicContact CD2-CG 3.55Å; Y268-K284 HydrophobicContact CE2-CB 4.42Å; Y268-K284 HydrophobicContact CE2-CD 3.46Å; Y268-K284 VanDerWaalsContact CE2-CD 3.46Å; Y268-K284 VanDerWaalsContact CE2-CE 3.46Å; Y268-K284 HydrophobicContact CE2-CG 3.67Å; Y268-K284 HydrophobicContact CG-CB 4.34Å; Y268-K284 HydrophobicContact CG-CD 4.22Å; Y268-K284 HydrophobicContact CG-CG 4.42Å; Y268-K284 PolarHBondContact OH-NZ 3.29Å; Y268-V285 CarbonylContact C-O 3.57Å; Y268-V285 VanDerWaalsContact CA-O 3.22Å; Y268-V285 WeakPolarHBondContact CA-O 3.49Å; Y268-V285 WeakPolarHBondContact CB-O 3.37Å
269I75Confident65.7Low54 Ų54103.3 Ų103.328%0.27750%0.5SS..EExtended strand (participates in β ladder)trans-96.8159163.863.9175.9000109.7G258 L259 E271 K284 V285 V287G258-I269 WeakPolarHBondContact O-CA 3.34Å; L259-I269 HydrophobicContact CD1-CG2 4Å; I269-E271 HydrophobicContact CD1-CG 4.19Å; I269-E271 HydrophobicContact CG1-CG 4.37Å; I269-K284 WeakPolarHBondContact O-CA 3.23Å; I269-V285 HydrophobicContact CG1-CB 3.92Å; I269-V285 HydrophobicContact CG1-CG1 4.41Å; I269-V285 PolarHBondContact N-O 3.14Å; I269-V285 PolarHBondContact O-N 3.02Å; I269-V287 HydrophobicContact CD1-CG1 4.14Å; I269-V287 HydrophobicContact CG1-CG1 4.01Å; I269-V287 HydrophobicContact CG2-CG1 4.21Å; I269-V287 HydrophobicContact CG2-CG2 4.33Å
270T70.8Confident65.5Low49 Ų49106 Ų10630%0.30151%0.513SS..EExtended strand (participates in β ladder)trans-108.1103.7174.6-55.80000109.7H282 R283T270-H282 HydrophobicContact CG2-CB 4.04Å; T270-R283 CarbonylContact C-O 3.58Å; T270-R283 WeakPolarHBondContact CA-O 3.38Å
271E68.9Low65.5Low87 Ų87107.7 Ų107.741%0.40752%0.521SS..EExtended strand (participates in β ladder)trans-87.1158.3174.7-70.1-174.8179.800111.9I269 H282 R283 V285I269-E271 HydrophobicContact CD1-CG 4.19Å; I269-E271 HydrophobicContact CG1-CG 4.37Å; E271-H282 CarbonylContact O-C 3.5Å; E271-H282 WeakPolarHBondContact O-CA 3.43Å; E271-R283 PolarHBondContact N-O 2.62Å; E271-R283 PolarHBondContact O-N 3.42Å; E271-V285 HydrophobicContact CB-CG2 4.21Å; E271-V285 VanDerWaalsContact CD-CG2 3.48Å; E271-V285 HydrophobicContact CG-CB 4.37Å; E271-V285 HydrophobicContact CG-CG2 3.88Å; E271-V285 WeakPolarHBondContact OE2-CG2 3.43Å
272Y66.7Low65.5Low155 Ų155107.4 Ų107.461%0.60852%0.521SS*.EExtended strand (participates in β ladder)trans-115.6100.1179.1-72.2-95.7000109.6I280 H282Y272-I280 HydrophobicContact CD1-CG2 3.71Å; Y272-I280 HydrophobicContact CG-CG2 4.18Å; Y272-H282 AromaticContact CE1-CE1 3.11Å; Y272-H282 WeakPolarHBondContact CE1-CE1 3.13Å; Y272-H282 AromaticContact CE1-ND1 3.45Å; Y272-H282 WeakPolarHBondContact CE1-ND1 3.46Å; Y272-H282 AromaticContact CE1-NE2 3.78Å; Y272-H282 AromaticContact CZ-CE1 3.49Å; Y272-H282 VanDerWaalsContact CZ-CE1 3.49Å; Y272-H282 AromaticContact CZ-ND1 3.66Å; Y272-H282 PolarHBondContact OH-CE1 3.46Å
273D60.6Low65.7Low90 Ų90104.4 Ų104.448%0.48151%0.509SS..EExtended strand (participates in β ladder)trans-96143.8-177-168.95000111.5I280 K281D273-I280 CarbonylContact O-C 3.59Å; D273-I280 WeakPolarHBondContact O-CA 3.48Å; D273-K281 PolarHBondContact N-O 2.83Å; D273-K281 PolarHBondContact O-N 3.42Å
274R56.6Low66.2Low165 Ų165104.9 Ų104.962%0.62351%0.508SS*.EExtended strand (participates in β ladder)trans-92107.3178-82.5-169.9-174.5160.85.6111.2G276 H279R274-G276 PolarHBondContact O-N 3.29Å; R274-H279 CarbonylContact C-O 3.53Å; R274-H279 WeakPolarHBondContact CA-O 3.38Å
275K57.5Low66.5Low164 Ų16498 Ų9871%0.71348%0.477SS*.EExtended strand (participates in β ladder)trans-86.887.4169.2-161.4175.9-177.5-1760110.4H279K275-H279 HydrophobicContact CB-CB 4.39Å; K275-H279 PolarHBondContact N-O 3.29Å
276G59.3Low67Low58 Ų5896.2 Ų96.260%0.59846%0.461SS*.THydrogen-bonded Turntrans78.9-155.7-177.200000112.8R274 F278R274-G276 PolarHBondContact O-N 3.29Å; G276-F278 PolarHBondContact O-N 2.96Å
277A52.1Low67.1Low77 Ų7796.8 Ų96.864%0.63646%0.463SS*.THydrogen-bonded Turntrans-70.3-27.8-166.900000115.4
278F49.8Very low66.8Low174 Ų174101.5 Ų101.576%0.76349%0.488SS*.THydrogen-bonded Turntrans-139.5-16.7-168.8-58.6-68.2000116.4G276G276-F278 PolarHBondContact O-N 2.96Å
279H50.9Low66.3Low143 Ų143105.1 Ų105.166%0.66251%0.514SS*.EExtended strand (participates in β ladder)trans-85.5126.7178.9-64.6104000110.9R274 K275R274-H279 CarbonylContact C-O 3.53Å; R274-H279 WeakPolarHBondContact CA-O 3.38Å; K275-H279 HydrophobicContact CB-CB 4.39Å; K275-H279 PolarHBondContact N-O 3.29Å
280I62.5Low66Low105 Ų105107.1 Ų107.154%0.53852%0.524SS..EExtended strand (participates in β ladder)trans-103.6128.3168-52.5-179.7000107.2Y272 D273Y272-I280 HydrophobicContact CD1-CG2 3.71Å; Y272-I280 HydrophobicContact CG-CG2 4.18Å; D273-I280 CarbonylContact O-C 3.59Å; D273-I280 WeakPolarHBondContact O-CA 3.48Å
281K71.3Confident65.8Low145 Ų145111.3 Ų111.363%0.6354%0.541SS*.EExtended strand (participates in β ladder)trans-117134.1176.7-170.9-177.8176-177.10109.8D273D273-K281 PolarHBondContact N-O 2.83Å; D273-K281 PolarHBondContact O-N 3.42Å
282H71.7Confident65.6Low112 Ų112108.6 Ų108.652%0.51953%0.529SS..EExtended strand (participates in β ladder)trans-68.9132.3169.2-59.3-101.1000110.5T270 E271 Y272T270-H282 HydrophobicContact CG2-CB 4.04Å; E271-H282 CarbonylContact O-C 3.5Å; E271-H282 WeakPolarHBondContact O-CA 3.43Å; Y272-H282 AromaticContact CE1-CE1 3.11Å; Y272-H282 WeakPolarHBondContact CE1-CE1 3.13Å; Y272-H282 AromaticContact CE1-ND1 3.45Å; Y272-H282 WeakPolarHBondContact CE1-ND1 3.46Å; Y272-H282 AromaticContact CE1-NE2 3.78Å; Y272-H282 AromaticContact CZ-CE1 3.49Å; Y272-H282 VanDerWaalsContact CZ-CE1 3.49Å; Y272-H282 AromaticContact CZ-ND1 3.66Å; Y272-H282 PolarHBondContact OH-CE1 3.46Å
283R73.2Confident65.2Low77 Ų77106.2 Ų106.229%0.29153%0.526SS..EExtended strand (participates in β ladder)trans-126.2129.5172.5177.8174.7167.3-148.2-15108.7T270 E271 V285T270-R283 CarbonylContact C-O 3.58Å; T270-R283 WeakPolarHBondContact CA-O 3.38Å; E271-R283 PolarHBondContact N-O 2.62Å; E271-R283 PolarHBondContact O-N 3.42Å; R283-V285 HydrophobicContact CG-CG2 4.08Å; R283-V285 PolarHBondContact O-N 2.94Å
284K79Confident65.2Low94 Ų94104.5 Ų104.541%0.40952%0.521SS..EExtended strand (participates in β ladder)trans-75.6123.1165.7-62.7-171.8178.1-1720107.7Y268 I269Y268-K284 HydrophobicContact CD2-CB 3.79Å; Y268-K284 HydrophobicContact CD2-CD 3.61Å; Y268-K284 HydrophobicContact CD2-CG 3.55Å; Y268-K284 HydrophobicContact CE2-CB 4.42Å; Y268-K284 HydrophobicContact CE2-CD 3.46Å; Y268-K284 VanDerWaalsContact CE2-CD 3.46Å; Y268-K284 VanDerWaalsContact CE2-CE 3.46Å; Y268-K284 HydrophobicContact CE2-CG 3.67Å; Y268-K284 HydrophobicContact CG-CB 4.34Å; Y268-K284 HydrophobicContact CG-CD 4.22Å; Y268-K284 HydrophobicContact CG-CG 4.42Å; Y268-K284 PolarHBondContact OH-NZ 3.29Å; I269-K284 WeakPolarHBondContact O-CA 3.23Å
285V75.4Confident65.2Low27 Ų2798.6 Ų98.616%0.16450%0.5CS..EExtended strand (participates in β ladder)trans-111.6113.7171.9175.30000106.5Y268 I269 E271 R283Y268-V285 CarbonylContact C-O 3.57Å; Y268-V285 VanDerWaalsContact CA-O 3.22Å; Y268-V285 WeakPolarHBondContact CA-O 3.49Å; Y268-V285 WeakPolarHBondContact CB-O 3.37Å; I269-V285 HydrophobicContact CG1-CB 3.92Å; I269-V285 HydrophobicContact CG1-CG1 4.41Å; I269-V285 PolarHBondContact N-O 3.14Å; I269-V285 PolarHBondContact O-N 3.02Å; E271-V285 HydrophobicContact CB-CG2 4.21Å; E271-V285 VanDerWaalsContact CD-CG2 3.48Å; E271-V285 HydrophobicContact CG-CB 4.37Å; E271-V285 HydrophobicContact CG-CG2 3.88Å; E271-V285 WeakPolarHBondContact OE2-CG2 3.43Å; R283-V285 HydrophobicContact CG-CG2 4.08Å; R283-V285 PolarHBondContact O-N 2.94Å
286Y78.3Confident65Low111 Ų11193.5 Ų93.544%0.43548%0.48SS..EExtended strand (participates in β ladder)trans-66.5139175.3-64.5-78.5000109.2W262 Y267W262-Y286 HydrophobicContact CB-CE1 4.37Å; W262-Y286 HydrophobicContact CD2-CE1 4.32Å; W262-Y286 HydrophobicContact CG-CE1 4.04Å; Y267-Y286 WeakPolarHBondContact O-CA 3.23Å
287V74.1Confident64.6Low45 Ų4596.9 Ų96.927%0.27349%0.485SS..EExtended strand (participates in β ladder)trans-127.2135.4178.5-63.50000108.8L259 Y267 I269L259-V287 HydrophobicContact CD1-CG2 3.42Å; L259-V287 VanDerWaalsContact CD1-CG2 3.42Å; Y267-V287 PolarHBondContact O-N 3.46Å; I269-V287 HydrophobicContact CD1-CG1 4.14Å; I269-V287 HydrophobicContact CG1-CG1 4.01Å; I269-V287 HydrophobicContact CG2-CG1 4.21Å; I269-V287 HydrophobicContact CG2-CG2 4.33Å
288E69.9Low64.4Low175 Ų175101.4 Ų101.482%0.81849%0.492SS*.  trans-104.5144.6-179.7-65.8-179.5168.200109.4I290E288-I290 PolarHBondContact O-N 3.06Å
289P69.3Low64.4Low101 Ų10197 Ų9766%0.65647%0.474SS*.  trans-61.9122174.9-21.333.2000111.1Q291P289-Q291 PolarHBondContact O-N 3.41Å
290I69Low64.1Low95 Ų9597.7 Ų97.749%0.48748%0.48SS..  trans-79.8119.8173.5-64.1177.8000108.5E288 L292 F310 Y314E288-I290 PolarHBondContact O-N 3.06Å; I290-L292 HydrophobicContact CG2-CD1 4.3Å; I290-F310 HydrophobicContact CD1-CE2 4.41Å; I290-F310 HydrophobicContact CG2-CD2 4.31Å; I290-F310 HydrophobicContact CG2-CE2 3.62Å; I290-Y314 HydrophobicContact CG2-CE2 4.49Å
291Q65.9Low63.5Low138 Ų138100.4 Ų100.465%0.64550%0.495SS*.  trans-90.6105.8169-69-175.6-17.300109.3P289 L293 S294P289-Q291 PolarHBondContact O-N 3.41Å; Q291-L293 PolarHBondContact O-N 3.22Å; Q291-S294 PolarHBondContact O-OG 3.41Å
292L64.2Low62.7Low30 Ų3098 Ų9816%0.15749%0.489CS..G310 helixtrans-66.8-26.3173.9-12487.2000112.5I290 F310 L456 L459 V460I290-L292 HydrophobicContact CG2-CD1 4.3Å; L292-F310 HydrophobicContact CD1-CD2 4.09Å; L292-F310 HydrophobicContact CD1-CE2 4.25Å; L292-L456 HydrophobicContact CD1-CD2 3.81Å; L292-L456 HydrophobicContact CD2-CD2 3.98Å; L292-L456 HydrophobicContact CG-CD2 4.36Å; L292-L459 HydrophobicContact CD2-CB 4.35Å; L292-V460 HydrophobicContact CD2-CG2 3.73Å
293L58.5Low62.1Low105 Ų105101.4 Ų101.455%0.5551%0.511SS..G310 helixtrans-84.9-13.9-172.3-64.1171.7000113.9Q291 F295 N296Q291-L293 PolarHBondContact O-N 3.22Å; L293-F295 PolarHBondContact O-N 3.18Å; L293-F295 VanDerWaalsContact O-N 3.16Å; L293-N296 WeakPolarHBondContact O-CB 3.49Å; L293-N296 PolarHBondContact O-N 3.4Å
294S60.2Low61.7Low53 Ų53100.5 Ų100.537%0.37151%0.51SS..G310 helixtrans-65.7-16.1176.856.20000113.1Q291 N296Q291-S294 PolarHBondContact O-OG 3.41Å; S294-N296 VanDerWaalsContact C-N 3.34Å
295F58.3Low61.4Low41 Ų4197.6 Ų97.618%0.1850%0.498CS..G310 helixtrans-77.4-16.1171.3-62.6-79.8000113.4L293 C306 L309 F310 H313 Y314L293-F295 PolarHBondContact O-N 3.18Å; L293-F295 VanDerWaalsContact O-N 3.16Å; F295-C306 HydrophobicContact CB-CB 4.27Å; F295-L309 HydrophobicContact CB-CB 4.45Å; F295-L309 HydrophobicContact CB-CD1 4.36Å; F295-L309 HydrophobicContact CD1-CB 3.93Å; F295-L309 HydrophobicContact CG-CB 4.34Å; F295-F310 HydrophobicContact CE2-CB 4.25Å; F295-F310 HydrophobicContact CE2-CD2 4.15Å; F295-H313 HydrophobicContact CE1-CB 4.06Å; F295-H313 HydrophobicContact CZ-CB 4.09Å; F295-Y314 HydrophobicContact CE2-CE2 4.41Å; F295-Y314 HydrophobicContact CZ-CE2 4.23Å
296N53Low61.3Low57 Ų5797.1 Ų97.131%0.30550%0.496SS..THydrogen-bonded Turntrans-77.7-30.4-179-69.75.4000112.9L293 S294 M300 C306L293-N296 WeakPolarHBondContact O-CB 3.49Å; L293-N296 PolarHBondContact O-N 3.4Å; S294-N296 VanDerWaalsContact C-N 3.34Å; N296-M300 VanDerWaalsContact O-CE 3.32Å; N296-M300 WeakPolarHBondContact O-CE 3.35Å; N296-C306 WeakPolarHBondContact OD1-CB 3.29Å
297D50.5Low61.4Low129 Ų12992.9 Ų92.969%0.6948%0.479SS*.THydrogen-bonded Turntrans-89.3-7-166.3-63.1-30.1000114.4
298H48.2Very low61.5Low173 Ų17391.3 Ų91.380%0.80147%0.469SS*.THydrogen-bonded Turntrans-122.3-10.3-171.3-75.4-42.7000116.9
299E49.2Very low61.8Low82 Ų8283.9 Ų83.938%0.38344%0.435SS..  trans-123.327.8177.4-72.9-149.6165.400114.8N301 N302 K304E299-N301 PolarHBondContact O-N 2.85Å; E299-N302 PolarHBondContact O-N 3.46Å; E299-K304 IonicContact OE1-NZ 2.69Å; E299-K304 WeakPolarHBondContact OE2-CD 3.22Å; E299-K304 IonicContact OE2-NZ 3.75Å; E299-K304 PolarHBondContact OE2-NZ 3.35Å
300M45.4Very low62.3Low157 Ų15779.7 Ų79.777%0.77341%0.407SS*.THydrogen-bonded Turntrans-59.78.6177.3-78.2-74.1166.100116.5N296N296-M300 VanDerWaalsContact O-CE 3.32Å; N296-M300 WeakPolarHBondContact O-CE 3.35Å
301N48.7Very low62.9Low161 Ų16175.3 Ų75.386%0.86138%0.384SS*.THydrogen-bonded Turntrans-104.21.7170.8-80.7-20.1000113.9E299E299-N301 PolarHBondContact O-N 2.85Å
302N54.9Low63.4Low94 Ų9470.4 Ų70.450%0.50336%0.361SS..SBendtrans-137.6134.5171.5-73.2-62000110.5E299 K304E299-N302 PolarHBondContact O-N 3.46Å; N302-K304 HydrophobicContact CB-CD 4.4Å; N302-K304 HydrophobicContact CB-CG 4.15Å; N302-K304 PolarHBondContact O-N 3.05Å
303N58.3Low64.1Low184 Ų18474.8 Ų74.898%0.98438%0.381SS*.  trans-71.552.3177.8-71.2-13.2000113.1
304K64.5Low65Low59 Ų5975.4 Ų75.426%0.25738%0.376SS..  trans-94131.5180-68.9179.4-169.5165.70111E299 N302 C306 L309E299-K304 IonicContact OE1-NZ 2.69Å; E299-K304 WeakPolarHBondContact OE2-CD 3.22Å; E299-K304 IonicContact OE2-NZ 3.75Å; E299-K304 PolarHBondContact OE2-NZ 3.35Å; N302-K304 HydrophobicContact CB-CD 4.4Å; N302-K304 HydrophobicContact CB-CG 4.15Å; N302-K304 PolarHBondContact O-N 3.05Å; K304-C306 PolarHBondContact O-N 2.99Å; K304-L309 HydrophobicContact CB-CD1 4.37Å; K304-L309 HydrophobicContact CB-CD2 4.32Å; K304-L309 HydrophobicContact CB-CG 4.29Å; K304-L309 HydrophobicContact CD-CD2 3.79Å
305D72.6Confident65.8Low32 Ų3275 Ų7517%0.17137%0.37CS..  trans-61.3123.6173-177.1-17.8000111.1R307 L308 L309 C472D305-R307 VanDerWaalsContact CG-NE 3.34Å; D305-R307 PolarHBondContact O-N 3.01Å; D305-R307 WeakPolarHBondContact OD1-CB 3.45Å; D305-R307 VanDerWaalsContact OD1-CG 3.29Å; D305-R307 WeakPolarHBondContact OD1-CG 3.49Å; D305-R307 IonicContact OD1-CZ 3.16Å; D305-R307 PolarHBondContact OD1-N 3.31Å; D305-R307 IonicContact OD1-NE 3.61Å; D305-R307 PolarHBondContact OD1-NE 2.85Å; D305-R307 IonicContact OD1-NH2 2.69Å; D305-R307 IonicContact OD2-CZ 2.87Å; D305-R307 IonicContact OD2-NE 3.77Å; D305-R307 PolarHBondContact OD2-NE 3.42Å; D305-R307 IonicContact OD2-NH2 3.49Å; D305-R307 PolarHBondContact OD2-NH2 3.08Å; D305-L308 HydrophobicContact CB-CB 4.3Å; D305-L308 HydrophobicContact CB-CD1 3.86Å; D305-L308 HydrophobicContact CB-CG 3.86Å; D305-L308 WeakPolarHBondContact O-CA 3.08Å; D305-L308 WeakPolarHBondContact O-CB 3.41Å; D305-L308 PolarHBondContact O-N 2.95Å; D305-L309 PolarHBondContact O-N 3.07Å; D305-L309 VanDerWaalsContact O-N 3.13Å; D305-C472 WeakPolarHBondContact OD2-CB 3.32Å
306C74.9Confident66.4Low17 Ų1776 Ų7612%0.11538%0.377CS..Hα-helixtrans-62.3-25.4-179.263.20000113F295 N296 K304 L308 L309 F310F295-C306 HydrophobicContact CB-CB 4.27Å; N296-C306 WeakPolarHBondContact OD1-CB 3.29Å; K304-C306 PolarHBondContact O-N 2.99Å; C306-L308 VanDerWaalsContact C-N 3.31Å; C306-L309 PolarHBondContact O-N 2.95Å; C306-F310 WeakPolarHBondContact O-CB 3.37Å; C306-F310 PolarHBondContact O-N 3.42Å
307R79.7Confident67.1Low22 Ų2273.7 Ų73.78%0.08337%0.365CS..Hα-helixtrans-64.5-38171.9-56.9172.5-72.8-176.4-4.1110.9D305 L311 L456 D457 V460 M470 C472D305-R307 VanDerWaalsContact CG-NE 3.34Å; D305-R307 PolarHBondContact O-N 3.01Å; D305-R307 WeakPolarHBondContact OD1-CB 3.45Å; D305-R307 VanDerWaalsContact OD1-CG 3.29Å; D305-R307 WeakPolarHBondContact OD1-CG 3.49Å; D305-R307 IonicContact OD1-CZ 3.16Å; D305-R307 PolarHBondContact OD1-N 3.31Å; D305-R307 IonicContact OD1-NE 3.61Å; D305-R307 PolarHBondContact OD1-NE 2.85Å; D305-R307 IonicContact OD1-NH2 2.69Å; D305-R307 IonicContact OD2-CZ 2.87Å; D305-R307 IonicContact OD2-NE 3.77Å; D305-R307 PolarHBondContact OD2-NE 3.42Å; D305-R307 IonicContact OD2-NH2 3.49Å; D305-R307 PolarHBondContact OD2-NH2 3.08Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.23Å; R307-L311 PolarHBondContact O-N 3.48Å; R307-L311 VanDerWaalsContact O-N 3.08Å; R307-L456 HydrophobicContact CB-CB 4.38Å; R307-L456 HydrophobicContact CG-CB 4.18Å; R307-D457 WeakPolarHBondContact CD-OD1 3.45Å; R307-D457 IonicContact CZ-OD1 3.87Å; R307-D457 IonicContact NE-OD1 3.01Å; R307-D457 IonicContact NH1-OD1 3.89Å; R307-D457 PolarHBondContact NH1-OD1 3.14Å; R307-V460 HydrophobicContact CG-CB 4.2Å; R307-V460 HydrophobicContact CG-CG1 4.44Å; R307-V460 HydrophobicContact CG-CG2 3.67Å; R307-M470 PolarHBondContact NH1-O 2.64Å; R307-M470 PolarHBondContact NH2-O 3.46Å; R307-C472 HydrophobicContact CB-CB 3.72Å; R307-C472 HydrophobicContact CG-CB 4.46Å
308L76.9Confident67.9Low12 Ų1271.5 Ų71.56%0.06335%0.353CS..Hα-helixtrans-72.4-42.9177.6-62179.4000111.5D305 C306 F310 L311 Q312 Y319 P321 C472D305-L308 HydrophobicContact CB-CB 4.3Å; D305-L308 HydrophobicContact CB-CD1 3.86Å; D305-L308 HydrophobicContact CB-CG 3.86Å; D305-L308 WeakPolarHBondContact O-CA 3.08Å; D305-L308 WeakPolarHBondContact O-CB 3.41Å; D305-L308 PolarHBondContact O-N 2.95Å; C306-L308 VanDerWaalsContact C-N 3.31Å; L308-F310 VanDerWaalsContact C-N 3.3Å; L308-F310 PolarHBondContact O-N 3.5Å; L308-L311 HydrophobicContact CD2-CD1 4.4Å; L308-L311 PolarHBondContact O-N 3.13Å; L308-L311 VanDerWaalsContact O-N 3.14Å; L308-Q312 WeakPolarHBondContact O-CB 3.38Å; L308-Q312 VanDerWaalsContact O-CG 3.31Å; L308-Q312 WeakPolarHBondContact O-CG 3.26Å; L308-Q312 PolarHBondContact O-N 3.01Å; L308-Y319 HydrophobicContact CD2-CE2 4.15Å; L308-Y319 VanDerWaalsContact CD2-OH 3.31Å; L308-Y319 WeakPolarHBondContact CD2-OH 3.31Å; L308-P321 HydrophobicContact CD1-CB 3.59Å; L308-P321 HydrophobicContact CD1-CG 3.64Å; L308-C472 HydrophobicContact CD2-CB 3.9Å; L308-C472 WeakPolarHBondContact CD2-O 3.41Å; L308-C472 HydrophobicContact CG-CB 4.23Å
309L75.9Confident68.6Low19 Ų1964 Ų6410%0.09932%0.318CS..Hα-helixtrans-57.7-43.7173.5-66.7177.3000111.4F295 K304 D305 C306 L311 Q312 H313F295-L309 HydrophobicContact CB-CB 4.45Å; F295-L309 HydrophobicContact CB-CD1 4.36Å; F295-L309 HydrophobicContact CD1-CB 3.93Å; F295-L309 HydrophobicContact CG-CB 4.34Å; K304-L309 HydrophobicContact CB-CD1 4.37Å; K304-L309 HydrophobicContact CB-CD2 4.32Å; K304-L309 HydrophobicContact CB-CG 4.29Å; K304-L309 HydrophobicContact CD-CD2 3.79Å; D305-L309 PolarHBondContact O-N 3.07Å; D305-L309 VanDerWaalsContact O-N 3.13Å; C306-L309 PolarHBondContact O-N 2.95Å; L309-L311 PolarHBondContact O-N 3.14Å; L309-Q312 PolarHBondContact O-N 3.5Å; L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-N 3.09Å
310F80.2Confident69.1Low14 Ų1463.8 Ų63.86%0.06132%0.319CS..Hα-helixtrans-57.1-48.6172.7171.4-88.9000111.9I290 L292 F295 C306 L308 H313 Y314 L452 L456I290-F310 HydrophobicContact CD1-CE2 4.41Å; I290-F310 HydrophobicContact CG2-CD2 4.31Å; I290-F310 HydrophobicContact CG2-CE2 3.62Å; L292-F310 HydrophobicContact CD1-CD2 4.09Å; L292-F310 HydrophobicContact CD1-CE2 4.25Å; F295-F310 HydrophobicContact CE2-CB 4.25Å; F295-F310 HydrophobicContact CE2-CD2 4.15Å; C306-F310 WeakPolarHBondContact O-CB 3.37Å; C306-F310 PolarHBondContact O-N 3.42Å; L308-F310 VanDerWaalsContact C-N 3.3Å; L308-F310 PolarHBondContact O-N 3.5Å; F310-H313 PolarHBondContact O-N 3.05Å; F310-Y314 HydrophobicContact CD1-CD2 4.49Å; F310-Y314 AromaticContact CD2-CD2 3.38Å; F310-Y314 HydrophobicContact CD2-CD2 3.38Å; F310-Y314 AromaticContact CD2-CE2 3.43Å; F310-Y314 HydrophobicContact CD2-CE2 3.43Å; F310-Y314 VanDerWaalsContact CD2-CE2 3.43Å; F310-Y314 HydrophobicContact CE1-CD2 4.36Å; F310-Y314 AromaticContact CE2-CD2 3.19Å; F310-Y314 HydrophobicContact CE2-CD2 3.19Å; F310-Y314 AromaticContact CE2-CE2 3.25Å; F310-Y314 HydrophobicContact CE2-CE2 3.25Å; F310-Y314 HydrophobicContact CE2-CG 4.12Å; F310-Y314 HydrophobicContact CG-CD2 4.04Å; F310-Y314 HydrophobicContact CG-CE2 4.46Å; F310-Y314 AromaticContact CZ-CD2 3.74Å; F310-Y314 HydrophobicContact CZ-CD2 3.74Å; F310-Y314 HydrophobicContact CZ-CE2 4.2Å; F310-Y314 HydrophobicContact CZ-CG 4.29Å; F310-Y314 WeakPolarHBondContact O-CD2 3.49Å; F310-Y314 PolarHBondContact O-N 3.11Å; F310-L452 HydrophobicContact CE1-CD1 4.24Å; F310-L456 HydrophobicContact CD1-CD1 3.67Å; F310-L456 HydrophobicContact CD1-CD2 3.65Å; F310-L456 HydrophobicContact CD1-CG 4.31Å; F310-L456 HydrophobicContact CE1-CD1 3.93Å; F310-L456 HydrophobicContact CE1-CD2 3.82Å; F310-L456 HydrophobicContact CE1-CG 4.39Å; F310-L456 HydrophobicContact CG-CD2 4.19Å; F310-L456 HydrophobicContact CZ-CD2 4.46Å
311L80.5Confident69.6Low3 Ų357.5 Ų57.52%0.01629%0.29CS..Hα-helixtrans-64.8-42.1178.8-68.3167.8000112.6R307 L308 L309 L315 L452 I453 L456R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.23Å; R307-L311 PolarHBondContact O-N 3.48Å; R307-L311 VanDerWaalsContact O-N 3.08Å; L308-L311 HydrophobicContact CD2-CD1 4.4Å; L308-L311 PolarHBondContact O-N 3.13Å; L308-L311 VanDerWaalsContact O-N 3.14Å; L309-L311 PolarHBondContact O-N 3.14Å; L311-L315 HydrophobicContact CD2-CD1 3.87Å; L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 PolarHBondContact O-N 3.02Å; L311-L452 HydrophobicContact CD2-CD2 3.87Å; L311-L452 HydrophobicContact CD2-CG 4.45Å; L311-I453 HydrophobicContact CD1-CD1 3.46Å; L311-I453 VanDerWaalsContact CD1-CD1 3.46Å; L311-I453 HydrophobicContact CD2-CD1 3.94Å; L311-I453 HydrophobicContact CG-CD1 4.29Å; L311-L456 HydrophobicContact CD1-CD1 4.4Å; L311-L456 HydrophobicContact CD2-CD1 3.86Å; L311-L456 HydrophobicContact CG-CD1 4.01Å
312Q77.7Confident69.7Low35 Ų3555.2 Ų55.216%0.16428%0.277CS..Hα-helixtrans-58.3-48.9175.7-72.5172.6-12.700110.6L308 L309 N316 L317 Y319L308-Q312 WeakPolarHBondContact O-CB 3.38Å; L308-Q312 VanDerWaalsContact O-CG 3.31Å; L308-Q312 WeakPolarHBondContact O-CG 3.26Å; L308-Q312 PolarHBondContact O-N 3.01Å; L309-Q312 PolarHBondContact O-N 3.5Å; Q312-N316 VanDerWaalsContact O-CA 3.24Å; Q312-N316 WeakPolarHBondContact O-CA 3.28Å; Q312-N316 PolarHBondContact O-N 3.25Å; Q312-L317 WeakPolarHBondContact CA-O 2.88Å; Q312-L317 WeakPolarHBondContact CB-O 3.31Å; Q312-L317 WeakPolarHBondContact CG-O 3.34Å; Q312-L317 PolarHBondContact O-N 2.95Å; Q312-Y319 HydrophobicContact CG-CD1 4.48Å; Q312-Y319 HydrophobicContact CG-CE1 4.19Å; Q312-Y319 PolarHBondContact NE2-O 3.31Å
313H77.2Confident69.7Low122 Ų12258 Ų5857%0.56529%0.287SS*.Hα-helixtrans-61.7-53.7179.4-174.387000112.7F295 L309 F310F295-H313 HydrophobicContact CE1-CB 4.06Å; F295-H313 HydrophobicContact CZ-CB 4.09Å; L309-H313 WeakPolarHBondContact O-CB 3.42Å; L309-H313 PolarHBondContact O-N 3.09Å; F310-H313 PolarHBondContact O-N 3.05Å
314Y78.4Confident69.3Low118 Ų11850.8 Ų50.846%0.46325%0.248SC..Hα-helixtrans-83.9-22.9-171.4-75.3-77.3000114.9I290 F295 F310I290-Y314 HydrophobicContact CG2-CE2 4.49Å; F295-Y314 HydrophobicContact CE2-CE2 4.41Å; F295-Y314 HydrophobicContact CZ-CE2 4.23Å; F310-Y314 HydrophobicContact CD1-CD2 4.49Å; F310-Y314 AromaticContact CD2-CD2 3.38Å; F310-Y314 HydrophobicContact CD2-CD2 3.38Å; F310-Y314 AromaticContact CD2-CE2 3.43Å; F310-Y314 HydrophobicContact CD2-CE2 3.43Å; F310-Y314 VanDerWaalsContact CD2-CE2 3.43Å; F310-Y314 HydrophobicContact CE1-CD2 4.36Å; F310-Y314 AromaticContact CE2-CD2 3.19Å; F310-Y314 HydrophobicContact CE2-CD2 3.19Å; F310-Y314 AromaticContact CE2-CE2 3.25Å; F310-Y314 HydrophobicContact CE2-CE2 3.25Å; F310-Y314 HydrophobicContact CE2-CG 4.12Å; F310-Y314 HydrophobicContact CG-CD2 4.04Å; F310-Y314 HydrophobicContact CG-CE2 4.46Å; F310-Y314 AromaticContact CZ-CD2 3.74Å; F310-Y314 HydrophobicContact CZ-CD2 3.74Å; F310-Y314 HydrophobicContact CZ-CE2 4.2Å; F310-Y314 HydrophobicContact CZ-CG 4.29Å; F310-Y314 WeakPolarHBondContact O-CD2 3.49Å; F310-Y314 PolarHBondContact O-N 3.11Å
315L77Confident68.7Low45 Ų4554.9 Ų54.924%0.23627%0.268CS..Hα-helixtrans-100.7-2.5176.2-57.2177000113.2L311 L317 L341 K344 L449L311-L315 HydrophobicContact CD2-CD1 3.87Å; L311-L315 VanDerWaalsContact O-CB 3.23Å; L311-L315 WeakPolarHBondContact O-CB 3.3Å; L311-L315 PolarHBondContact O-N 3.02Å; L315-L317 HydrophobicContact CB-CD1 3.57Å; L315-L317 HydrophobicContact CB-CG 3.65Å; L315-L317 HydrophobicContact CD1-CD1 3.77Å; L315-L317 HydrophobicContact CG-CD1 4.32Å; L315-L341 HydrophobicContact CD1-CD1 4.47Å; L315-K344 PolarHBondContact O-NZ 2.92Å; L315-L449 HydrophobicContact CD1-CD2 3.96Å
316N70.8Confident67.6Low62 Ų6260.3 Ų60.333%0.33230%0.297SS..THydrogen-bonded Turntrans48.761.5-173.5-164.25.7000110.8Q312 K344 S695Q312-N316 VanDerWaalsContact O-CA 3.24Å; Q312-N316 WeakPolarHBondContact O-CA 3.28Å; Q312-N316 PolarHBondContact O-N 3.25Å; N316-K344 PolarHBondContact O-NZ 2.81Å; N316-S695 PolarHBondContact ND2-O 3.46Å
317L67.9Low66.7Low7 Ų763.9 Ų63.94%0.03732%0.315CS..  trans-116.6137.7-178.1-62.3172.5000109.1Q312 L315 Y319 L337Q312-L317 WeakPolarHBondContact CA-O 2.88Å; Q312-L317 WeakPolarHBondContact CB-O 3.31Å; Q312-L317 WeakPolarHBondContact CG-O 3.34Å; Q312-L317 PolarHBondContact O-N 2.95Å; L315-L317 HydrophobicContact CB-CD1 3.57Å; L315-L317 HydrophobicContact CB-CG 3.65Å; L315-L317 HydrophobicContact CD1-CD1 3.77Å; L315-L317 HydrophobicContact CG-CD1 4.32Å; L317-Y319 HydrophobicContact CB-CD1 3.89Å; L317-Y319 HydrophobicContact CB-CE1 3.98Å; L317-Y319 HydrophobicContact CD1-CE1 4.1Å; L317-L337 HydrophobicContact CD1-CD1 4.1Å; L317-L337 HydrophobicContact CD1-CD2 3.58Å; L317-L337 HydrophobicContact CD1-CG 4.43Å; L317-L337 HydrophobicContact CD2-CD2 3.61Å; L317-L337 HydrophobicContact CG-CD2 4.14Å
318D66.8Low66.2Low84 Ų8469.7 Ų69.745%0.44935%0.348SS..  trans-122.875.9-177.5-178.222.6000109.2Q690 N693D318-Q690 VanDerWaalsContact C-NE2 3.35Å; D318-Q690 PolarHBondContact O-NE2 2.74Å; D318-N693 HydrophobicContact CB-CB 3.84Å; D318-N693 WeakPolarHBondContact OD2-CB 3.44Å; D318-N693 PolarHBondContact OD2-ND2 3.07Å
319Y64.1Low66.3Low14 Ų1470.6 Ų70.66%0.05535%0.352CS..  trans-123.8129.2174.467.8-77.8000109.7L308 Q312 L317 I333 L337L308-Y319 HydrophobicContact CD2-CE2 4.15Å; L308-Y319 VanDerWaalsContact CD2-OH 3.31Å; L308-Y319 WeakPolarHBondContact CD2-OH 3.31Å; Q312-Y319 HydrophobicContact CG-CD1 4.48Å; Q312-Y319 HydrophobicContact CG-CE1 4.19Å; Q312-Y319 PolarHBondContact NE2-O 3.31Å; L317-Y319 HydrophobicContact CB-CD1 3.89Å; L317-Y319 HydrophobicContact CB-CE1 3.98Å; L317-Y319 HydrophobicContact CD1-CE1 4.1Å; Y319-I333 HydrophobicContact CD2-CD1 3.83Å; Y319-I333 HydrophobicContact CD2-CG2 4.46Å; Y319-I333 HydrophobicContact CG-CD1 4.3Å; Y319-L337 HydrophobicContact CE1-CD1 4.48Å
320N59.4Low66.5Low79 Ų7972.6 Ų72.642%0.42236%0.363SS..  trans-87120.1172.7-98.1-38.3000109.8I322 E323 L324N320-I322 PolarHBondContact O-N 3.1Å; N320-E323 PolarHBondContact O-N 3.32Å; N320-L324 VanDerWaalsContact O-CD1 3.23Å; N320-L324 WeakPolarHBondContact O-CD1 3.16Å
321P56Low66.8Low24 Ų2472.4 Ų72.416%0.15636%0.362CS..G310 helixtrans-60.3-25.5176.823-33.2000113.6L308 E323 L324L308-P321 HydrophobicContact CD1-CB 3.59Å; L308-P321 HydrophobicContact CD1-CG 3.64Å; P321-E323 PolarHBondContact O-N 2.85Å; P321-L324 WeakPolarHBondContact O-CB 3.41Å; P321-L324 PolarHBondContact O-N 3.2Å
322I50.5Low67.2Low113 Ų11372.4 Ų72.458%0.57936%0.362SS*.G310 helixtrans-63.9-25.6-175.5-56.4173.4000112.4N320 L324N320-I322 PolarHBondContact O-N 3.1Å; I322-L324 PolarHBondContact O-N 3.07Å
323E53.6Low67.6Low153 Ų15371.1 Ų71.172%0.71536%0.356SS*.G310 helixtrans-73.1-9.2174.5-66.4-171.4173.900113.5N320 P321N320-E323 PolarHBondContact O-N 3.32Å; P321-E323 PolarHBondContact O-N 2.85Å
324L51.5Low68.1Low32 Ų3265.4 Ų65.417%0.16833%0.33CS..THydrogen-bonded Turntrans-112.5-13.2-164.5-65.3123.5000115.7N320 P321 I322 N330 I333N320-L324 VanDerWaalsContact O-CD1 3.23Å; N320-L324 WeakPolarHBondContact O-CD1 3.16Å; P321-L324 WeakPolarHBondContact O-CB 3.41Å; P321-L324 PolarHBondContact O-N 3.2Å; I322-L324 PolarHBondContact O-N 3.07Å; L324-N330 HydrophobicContact CB-CB 4.42Å; L324-I333 HydrophobicContact CD1-CD1 3.29Å; L324-I333 HydrophobicContact CD1-CG1 4.44Å; L324-I333 HydrophobicContact CD2-CB 4.49Å; L324-I333 HydrophobicContact CD2-CD1 3.28Å; L324-I333 HydrophobicContact CD2-CG1 3.5Å; L324-I333 HydrophobicContact CG-CD1 3.85Å
325E50.8Low68.8Low146 Ų14659.8 Ų59.868%0.68231%0.308SS*.SBendtrans-74.2-32.9174.4-65.4-177.9162.500111.1N327E325-N327 VanDerWaalsContact C-N 3.26Å; E325-N327 PolarHBondContact O-N 3.01Å
326N50.9Low69.4Low145 Ų14557.7 Ų57.778%0.77530%0.297SS*.SBendtrans-73.4-11.8-179.1-69.9-34.4000114.5
327N56Low70.2Confident92 Ų9254.9 Ų54.949%0.49228%0.282SS..SBendtrans-128.5124.6177.8-74.4-62.1000109.2E325 N329E325-N327 VanDerWaalsContact C-N 3.26Å; E325-N327 PolarHBondContact O-N 3.01Å; N327-N329 PolarHBondContact O-N 3.3Å
328N69Low71.3Confident144 Ų14454.5 Ų54.577%0.7728%0.28SS*.THydrogen-bonded Turntrans-6629.9179.7-72.8-47.8000115.1
329N78Confident72.5Confident31 Ų3150.7 Ų50.717%0.16626%0.26CS..THydrogen-bonded Turntrans-121.918.3-171.6-59.3-34.7000112.9N327 W331 L332 L679N327-N329 PolarHBondContact O-N 3.3Å; N329-W331 PolarHBondContact O-N 3.44Å; N329-W331 VanDerWaalsContact O-N 3.08Å; N329-L332 WeakPolarHBondContact O-CB 3.43Å; N329-L332 PolarHBondContact O-N 3.15Å; N329-L679 HydrophobicContact CB-CD2 4.16Å; N329-L679 WeakPolarHBondContact ND2-CD2 3.31Å
330N79.8Confident73.6Confident61 Ų6150 Ų5033%0.32626%0.257SS..THydrogen-bonded Turntrans-51.7-32-179.959.910000114.2L324 L332 I333 N474L324-N330 HydrophobicContact CB-CB 4.42Å; N330-L332 PolarHBondContact O-N 2.83Å; N330-L332 VanDerWaalsContact O-N 3.11Å; N330-I333 PolarHBondContact O-N 3.02Å; N330-I333 VanDerWaalsContact O-N 3.14Å; N330-N474 PolarHBondContact ND2-ND2 3.42Å
331W87.2Confident74.9Confident11 Ų1147.7 Ų47.74%0.04224%0.244CC..Hα-helixtrans-56.4-21.5172.161.6-92.4000114.9N329 I333 S334 I335 I377 Y380 N474 L476 L679N329-W331 PolarHBondContact O-N 3.44Å; N329-W331 VanDerWaalsContact O-N 3.08Å; W331-I333 VanDerWaalsContact C-N 3.31Å; W331-I333 PolarHBondContact O-N 3.39Å; W331-S334 WeakPolarHBondContact O-CB 3.28Å; W331-S334 PolarHBondContact O-N 3.44Å; W331-I335 HydrophobicContact CE3-CD1 3.44Å; W331-I335 VanDerWaalsContact CE3-CD1 3.44Å; W331-I335 HydrophobicContact CE3-CG1 4.49Å; W331-I335 HydrophobicContact CZ3-CD1 3.35Å; W331-I377 HydrophobicContact CH2-CG1 4.21Å; W331-I377 HydrophobicContact CZ3-CG1 4.37Å; W331-Y380 HydrophobicContact CD2-CD2 4.38Å; W331-Y380 HydrophobicContact CD2-CE2 4.3Å; W331-Y380 AromaticContact CE2-CD2 3.96Å; W331-Y380 AromaticContact CE2-CE1 3.88Å; W331-Y380 AromaticContact CE2-CE2 3.64Å; W331-Y380 AromaticContact CE2-CZ 3.59Å; W331-Y380 AromaticContact CH2-CD1 3.63Å; W331-Y380 HydrophobicContact CH2-CD1 3.63Å; W331-Y380 HydrophobicContact CH2-CD2 4.24Å; W331-Y380 HydrophobicContact CH2-CE1 4.09Å; W331-Y380 AromaticContact CH2-CG 3.71Å; W331-Y380 HydrophobicContact CH2-CG 3.71Å; W331-Y380 AromaticContact CZ2-CD1 3.36Å; W331-Y380 HydrophobicContact CZ2-CD1 3.36Å; W331-Y380 AromaticContact CZ2-CD2 3.93Å; W331-Y380 HydrophobicContact CZ2-CD2 3.93Å; W331-Y380 AromaticContact CZ2-CE1 3.31Å; W331-Y380 HydrophobicContact CZ2-CE1 3.31Å; W331-Y380 AromaticContact CZ2-CE2 3.87Å; W331-Y380 HydrophobicContact CZ2-CE2 3.87Å; W331-Y380 AromaticContact CZ2-CG 3.67Å; W331-Y380 HydrophobicContact CZ2-CG 3.67Å; W331-Y380 AromaticContact CZ2-CZ 3.56Å; W331-Y380 HydrophobicContact CZ3-CG 4.3Å; W331-Y380 AromaticContact NE1-CE2 3.58Å; W331-Y380 AromaticContact NE1-CZ 3.42Å; W331-Y380 PolarHBondContact NE1-OH 3.07Å; W331-N474 WeakPolarHBondContact CA-O 3.5Å; W331-L476 HydrophobicContact CB-CD2 3.96Å; W331-L476 HydrophobicContact CB-CG 4.14Å; W331-L476 HydrophobicContact CD2-CD1 4.17Å; W331-L476 HydrophobicContact CD2-CD2 3.93Å; W331-L476 HydrophobicContact CD2-CG 4.09Å; W331-L476 HydrophobicContact CE3-CD1 3.52Å; W331-L476 HydrophobicContact CE3-CD2 4.12Å; W331-L476 HydrophobicContact CE3-CG 3.78Å; W331-L476 HydrophobicContact CG-CD2 3.84Å; W331-L476 HydrophobicContact CG-CG 4.25Å; W331-L476 HydrophobicContact CZ3-CD1 3.82Å; W331-L679 HydrophobicContact CH2-CD1 4.43Å; W331-L679 HydrophobicContact CZ2-CD1 4.28Å; W331-L679 HydrophobicContact CZ2-CD2 4.35Å
332L89.5Confident76.4Confident2 Ų246.6 Ų46.61%0.0124%0.237CC..Hα-helixtrans-68.7-30.1178.7-161.569.5000111.9N329 N330 I335 A336 I377 L679 Q682 I686N329-L332 WeakPolarHBondContact O-CB 3.43Å; N329-L332 PolarHBondContact O-N 3.15Å; N330-L332 PolarHBondContact O-N 2.83Å; N330-L332 VanDerWaalsContact O-N 3.11Å; L332-I335 PolarHBondContact O-N 2.77Å; L332-A336 PolarHBondContact O-N 3.45Å; L332-I377 HydrophobicContact CD1-CD1 3.94Å; L332-I377 HydrophobicContact CD1-CG1 4.09Å; L332-L679 HydrophobicContact CD2-CD2 4.34Å; L332-Q682 HydrophobicContact CD2-CB 3.55Å; L332-I686 HydrophobicContact CD2-CD1 4.13Å; L332-I686 HydrophobicContact CG-CD1 4.4Å
333I85.8Confident77.9Confident9 Ų942.7 Ų42.75%0.04622%0.215CC..Hα-helixtrans-61.8-46171.7-78.7-163.9000110.3Y319 L324 N330 W331 I335 A336 L337 L473 I686Y319-I333 HydrophobicContact CD2-CD1 3.83Å; Y319-I333 HydrophobicContact CD2-CG2 4.46Å; Y319-I333 HydrophobicContact CG-CD1 4.3Å; L324-I333 HydrophobicContact CD1-CD1 3.29Å; L324-I333 HydrophobicContact CD1-CG1 4.44Å; L324-I333 HydrophobicContact CD2-CB 4.49Å; L324-I333 HydrophobicContact CD2-CD1 3.28Å; L324-I333 HydrophobicContact CD2-CG1 3.5Å; L324-I333 HydrophobicContact CG-CD1 3.85Å; N330-I333 PolarHBondContact O-N 3.02Å; N330-I333 VanDerWaalsContact O-N 3.14Å; W331-I333 VanDerWaalsContact C-N 3.31Å; W331-I333 PolarHBondContact O-N 3.39Å; I333-I335 PolarHBondContact O-N 3.41Å; I333-A336 CarbonylContact O-C 3.49Å; I333-A336 WeakPolarHBondContact O-CA 3.29Å; I333-A336 WeakPolarHBondContact O-CB 3.16Å; I333-A336 PolarHBondContact O-N 3.08Å; I333-L337 HydrophobicContact CG2-CD1 3.56Å; I333-L337 HydrophobicContact CG2-CD2 4.49Å; I333-L337 HydrophobicContact CG2-CG 3.7Å; I333-L337 WeakPolarHBondContact O-CB 3.35Å; I333-L337 WeakPolarHBondContact O-CG 3.45Å; I333-L337 PolarHBondContact O-N 3.28Å; I333-L473 HydrophobicContact CB-CD1 4.46Å; I333-L473 HydrophobicContact CG2-CD1 3.82Å; I333-I686 HydrophobicContact CG1-CD1 4.23Å; I333-I686 HydrophobicContact CG1-CG2 4.14Å
334S87.6Confident79.1Confident1 Ų137.6 Ų37.61%0.00719%0.191CC..Hα-helixtrans-55-41.1-179.9-57.30000112.3W331 I338 L473 N474W331-S334 WeakPolarHBondContact O-CB 3.28Å; W331-S334 PolarHBondContact O-N 3.44Å; S334-I338 VanDerWaalsContact O-CD1 3.25Å; S334-I338 WeakPolarHBondContact O-CD1 3.39Å; S334-I338 WeakPolarHBondContact O-CG1 3.44Å; S334-I338 PolarHBondContact O-N 2.89Å; S334-L473 VanDerWaalsContact OG-CD1 3.26Å; S334-L473 WeakPolarHBondContact OG-CD1 3.37Å; S334-L473 VanDerWaalsContact OG-CG 3.3Å; S334-L473 WeakPolarHBondContact OG-CG 3.28Å; S334-N474 WeakPolarHBondContact CB-O 3.24Å; S334-N474 PolarHBondContact OG-O 2.97Å
335I91.8Very high80.1Confident1 Ų139.2 Ų39.21%0.00521%0.205CC..Hα-helixtrans-66.1-46.2174.6-61.7168.9000111W331 L332 I333 L337 I338 N339 F372 C376 L476 M481 Y683W331-I335 HydrophobicContact CE3-CD1 3.44Å; W331-I335 VanDerWaalsContact CE3-CD1 3.44Å; W331-I335 HydrophobicContact CE3-CG1 4.49Å; W331-I335 HydrophobicContact CZ3-CD1 3.35Å; L332-I335 PolarHBondContact O-N 2.77Å; I333-I335 PolarHBondContact O-N 3.41Å; I335-L337 PolarHBondContact O-N 3.19Å; I335-I338 PolarHBondContact O-N 2.86Å; I335-N339 WeakPolarHBondContact O-CB 3.36Å; I335-N339 PolarHBondContact O-N 3.4Å; I335-N339 VanDerWaalsContact O-N 3.08Å; I335-F372 HydrophobicContact CB-CE1 4.49Å; I335-F372 HydrophobicContact CG2-CD1 4.01Å; I335-F372 HydrophobicContact CG2-CE1 3.59Å; I335-F372 HydrophobicContact CG2-CZ 4.17Å; I335-C376 HydrophobicContact CD1-CB 3.68Å; I335-C376 HydrophobicContact CG1-CB 4.47Å; I335-C376 HydrophobicContact CG2-CB 4.45Å; I335-L476 HydrophobicContact CD1-CD1 4.3Å; I335-M481 HydrophobicContact CG1-SD 3.72Å; I335-Y683 HydrophobicContact CB-CD2 4.5Å; I335-Y683 HydrophobicContact CG2-CD2 3.84Å; I335-Y683 HydrophobicContact CG2-CE2 3.67Å
336A90.6Very high80.9Confident0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-61.7-42176.900000111.9L332 I333 N339 V340 Y683 I686L332-A336 PolarHBondContact O-N 3.45Å; I333-A336 CarbonylContact O-C 3.49Å; I333-A336 WeakPolarHBondContact O-CA 3.29Å; I333-A336 WeakPolarHBondContact O-CB 3.16Å; I333-A336 PolarHBondContact O-N 3.08Å; A336-N339 WeakPolarHBondContact O-CB 3.41Å; A336-N339 PolarHBondContact O-N 3.44Å; A336-V340 WeakPolarHBondContact O-CB 3.42Å; A336-V340 WeakPolarHBondContact O-CG2 3.1Å; A336-V340 PolarHBondContact O-N 3.32Å; A336-Y683 HydrophobicContact CB-CD2 4.22Å; A336-I686 HydrophobicContact CB-CB 4.01Å; A336-I686 HydrophobicContact CB-CG2 3.47Å; A336-I686 VanDerWaalsContact CB-CG2 3.47Å
337L88.1Confident81Confident3 Ų330.9 Ų30.92%0.01616%0.163CC..Hα-helixtrans-64.8-46.1177.8-69-175.4000112.2L317 Y319 I333 I335 N339 V340 L341 L473 Q690L317-L337 HydrophobicContact CD1-CD1 4.1Å; L317-L337 HydrophobicContact CD1-CD2 3.58Å; L317-L337 HydrophobicContact CD1-CG 4.43Å; L317-L337 HydrophobicContact CD2-CD2 3.61Å; L317-L337 HydrophobicContact CG-CD2 4.14Å; Y319-L337 HydrophobicContact CE1-CD1 4.48Å; I333-L337 HydrophobicContact CG2-CD1 3.56Å; I333-L337 HydrophobicContact CG2-CD2 4.49Å; I333-L337 HydrophobicContact CG2-CG 3.7Å; I333-L337 WeakPolarHBondContact O-CB 3.35Å; I333-L337 WeakPolarHBondContact O-CG 3.45Å; I333-L337 PolarHBondContact O-N 3.28Å; I335-L337 PolarHBondContact O-N 3.19Å; L337-N339 VanDerWaalsContact C-N 3.27Å; L337-N339 PolarHBondContact O-N 3Å; L337-V340 PolarHBondContact O-N 3.26Å; L337-L341 WeakPolarHBondContact O-CB 2.93Å; L337-L341 VanDerWaalsContact O-CG 3.29Å; L337-L341 WeakPolarHBondContact O-CG 3.08Å; L337-L341 PolarHBondContact O-N 2.99Å; L337-L473 HydrophobicContact CD1-CD1 4.41Å; L337-L473 HydrophobicContact CD1-CD2 3.88Å; L337-Q690 HydrophobicContact CD2-CG 4.29Å
338I91.2Very high80.1Confident0 Ų030.8 Ų30.80%017%0.165CC..Hα-helixtrans-55.9-46.8174-67.2157.1000110S334 I335 T342 F372 L442 I445 Y446 L449 F475 M481S334-I338 VanDerWaalsContact O-CD1 3.25Å; S334-I338 WeakPolarHBondContact O-CD1 3.39Å; S334-I338 WeakPolarHBondContact O-CG1 3.44Å; S334-I338 PolarHBondContact O-N 2.89Å; I335-I338 PolarHBondContact O-N 2.86Å; I338-T342 VanDerWaalsContact O-CB 3.25Å; I338-T342 WeakPolarHBondContact O-CB 3.29Å; I338-T342 PolarHBondContact O-N 3.45Å; I338-T342 PolarHBondContact O-OG1 3.44Å; I338-F372 HydrophobicContact CB-CE1 4.28Å; I338-F372 HydrophobicContact CB-CZ 4.5Å; I338-F372 HydrophobicContact CD1-CZ 4.49Å; I338-F372 HydrophobicContact CG2-CE1 4.07Å; I338-F372 HydrophobicContact CG2-CZ 4.08Å; I338-L442 HydrophobicContact CG2-CB 4.26Å; I338-L442 HydrophobicContact CG2-CD2 3.83Å; I338-I445 HydrophobicContact CB-CG2 4.47Å; I338-I445 HydrophobicContact CG2-CG2 4.24Å; I338-Y446 HydrophobicContact CD1-CD2 3.86Å; I338-Y446 HydrophobicContact CD1-CG 4.38Å; I338-L449 HydrophobicContact CG1-CD1 3.92Å; I338-F475 HydrophobicContact CD1-CD1 4.46Å; I338-F475 HydrophobicContact CD1-CE1 4.09Å; I338-F475 HydrophobicContact CG1-CE1 4.49Å; I338-M481 HydrophobicContact CD1-CE 3.64Å; I338-M481 HydrophobicContact CD1-SD 3.54Å; I338-M481 VanDerWaalsContact CD1-SD 3.54Å
339N90.5Very high78.3Confident4 Ų428.8 Ų28.82%0.02116%0.161CC..Hα-helixtrans-63.2-48179.5-172.541.5000112.2I335 A336 L337 T342 Y343 I363 S369 F372 Y683I335-N339 WeakPolarHBondContact O-CB 3.36Å; I335-N339 PolarHBondContact O-N 3.4Å; I335-N339 VanDerWaalsContact O-N 3.08Å; A336-N339 WeakPolarHBondContact O-CB 3.41Å; A336-N339 PolarHBondContact O-N 3.44Å; L337-N339 VanDerWaalsContact C-N 3.27Å; L337-N339 PolarHBondContact O-N 3Å; N339-T342 CarbonylContact O-C 3.55Å; N339-T342 WeakPolarHBondContact O-CB 3.44Å; N339-T342 PolarHBondContact O-N 3.15Å; N339-Y343 PolarHBondContact O-N 2.89Å; N339-I363 WeakPolarHBondContact ND2-CD1 3.24Å; N339-S369 PolarHBondContact ND2-OG 2.74Å; N339-F372 HydrophobicContact CB-CD1 4.27Å; N339-F372 HydrophobicContact CB-CE1 4.49Å; N339-Y683 HydrophobicContact CB-CE2 4.25Å; N339-Y683 VanDerWaalsContact CG-OH 3.27Å; N339-Y683 PolarHBondContact ND2-OH 2.94Å
340V88.1Confident76Confident0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-65.7-43.6-179.31680000111.9A336 L337 T342 Y343 K344 I363 S687 Q690 L691A336-V340 WeakPolarHBondContact O-CB 3.42Å; A336-V340 WeakPolarHBondContact O-CG2 3.1Å; A336-V340 PolarHBondContact O-N 3.32Å; L337-V340 PolarHBondContact O-N 3.26Å; V340-T342 VanDerWaalsContact C-N 3.31Å; V340-T342 PolarHBondContact O-N 2.87Å; V340-Y343 WeakPolarHBondContact O-CB 3.41Å; V340-Y343 PolarHBondContact O-N 3.35Å; V340-Y343 VanDerWaalsContact O-N 3.11Å; V340-K344 HydrophobicContact CG1-CD 4.04Å; V340-K344 HydrophobicContact CG1-CG 4.28Å; V340-K344 WeakPolarHBondContact O-CB 3.4Å; V340-K344 WeakPolarHBondContact O-CG 3.42Å; V340-K344 PolarHBondContact O-N 3Å; V340-I363 HydrophobicContact CG2-CD1 4.29Å; V340-S687 VanDerWaalsContact CG2-O 3.3Å; V340-S687 WeakPolarHBondContact CG2-O 3.37Å; V340-Q690 HydrophobicContact CB-CB 4.46Å; V340-Q690 HydrophobicContact CG1-CB 4.04Å; V340-Q690 HydrophobicContact CG2-CB 3.95Å; V340-L691 HydrophobicContact CG1-CD2 4Å; V340-L691 HydrophobicContact CG1-CG 4.14Å; V340-L691 HydrophobicContact CG2-CG 4.31Å
341L87.4Confident73.6Confident29 Ų2943.2 Ų43.215%0.15222%0.217CC..Hα-helixtrans-65.9-35.9175-67.5173.8000111.6L315 L337 Y343 K344 S345 I445 L449L315-L341 HydrophobicContact CD1-CD1 4.47Å; L337-L341 WeakPolarHBondContact O-CB 2.93Å; L337-L341 VanDerWaalsContact O-CG 3.29Å; L337-L341 WeakPolarHBondContact O-CG 3.08Å; L337-L341 PolarHBondContact O-N 2.99Å; L341-Y343 PolarHBondContact O-N 3.06Å; L341-K344 HydrophobicContact CD2-CD 4.42Å; L341-S345 WeakPolarHBondContact O-CB 3.44Å; L341-S345 PolarHBondContact O-N 2.86Å; L341-S345 PolarHBondContact O-OG 3.36Å; L341-S345 VanDerWaalsContact O-OG 3.11Å; L341-I445 HydrophobicContact CB-CG2 4.01Å; L341-I445 HydrophobicContact CD1-CG2 4.26Å; L341-L449 HydrophobicContact CD1-CD1 3.95Å; L341-L449 HydrophobicContact CD1-CD2 3.9Å; L341-L449 HydrophobicContact CD1-CG 4.21Å
342T85.6Confident70.8Confident2 Ų246.7 Ų46.71%0.01224%0.24CC..Hα-helixtrans-66.9-27.2172.6-56.60000112.2I338 N339 V340 S345 R346 L442 I445I338-T342 VanDerWaalsContact O-CB 3.25Å; I338-T342 WeakPolarHBondContact O-CB 3.29Å; I338-T342 PolarHBondContact O-N 3.45Å; I338-T342 PolarHBondContact O-OG1 3.44Å; N339-T342 CarbonylContact O-C 3.55Å; N339-T342 WeakPolarHBondContact O-CB 3.44Å; N339-T342 PolarHBondContact O-N 3.15Å; V340-T342 VanDerWaalsContact C-N 3.31Å; V340-T342 PolarHBondContact O-N 2.87Å; T342-S345 PolarHBondContact O-OG 3.33Å; T342-R346 VanDerWaalsContact CG2-NH2 3.31Å; T342-R346 PolarHBondContact O-NH1 3.48Å; T342-L442 HydrophobicContact CG2-CD2 3.9Å; T342-L442 HydrophobicContact CG2-CG 4.19Å; T342-L442 WeakPolarHBondContact OG1-CD2 3.44Å; T342-I445 HydrophobicContact CG2-CD1 4.46Å; T342-I445 WeakPolarHBondContact OG1-CD1 3.5Å
343Y82.6Confident68.1Low30 Ų3053.8 Ų53.812%0.11828%0.283CS..Hα-helixtrans-78-55.2173.6-152.9-99.4000111.2N339 V340 L341 S345 R346 C347 M360 I363 C366 L691N339-Y343 PolarHBondContact O-N 2.89Å; V340-Y343 WeakPolarHBondContact O-CB 3.41Å; V340-Y343 PolarHBondContact O-N 3.35Å; V340-Y343 VanDerWaalsContact O-N 3.11Å; L341-Y343 PolarHBondContact O-N 3.06Å; Y343-S345 VanDerWaalsContact C-N 3.27Å; Y343-S345 PolarHBondContact O-N 2.66Å; Y343-R346 PolarHBondContact O-N 3.38Å; Y343-C347 PolarHBondContact O-N 3.16Å; Y343-M360 VanDerWaalsContact OH-CB 3.26Å; Y343-M360 WeakPolarHBondContact OH-CB 3.38Å; Y343-M360 PolarHBondContact OH-O 3.41Å; Y343-I363 HydrophobicContact CD2-CD1 4.21Å; Y343-I363 HydrophobicContact CD2-CG1 4.47Å; Y343-I363 HydrophobicContact CG-CD1 4.11Å; Y343-C366 HydrophobicContact CE2-CB 4.27Å; Y343-L691 HydrophobicContact CD1-CD1 3.98Å; Y343-L691 HydrophobicContact CD1-CD2 4.11Å; Y343-L691 HydrophobicContact CE1-CD1 4.45Å; Y343-L691 HydrophobicContact CG-CD1 4.49Å
344K78.5Confident65.7Low46 Ų4657.6 Ų57.620%0.231%0.307CS..Hα-helixtrans-50.2-43.6177-76.7178.8172.5-179.50112.2L315 N316 V340 L341 R346 C347 L691 V694L315-K344 PolarHBondContact O-NZ 2.92Å; N316-K344 PolarHBondContact O-NZ 2.81Å; V340-K344 HydrophobicContact CG1-CD 4.04Å; V340-K344 HydrophobicContact CG1-CG 4.28Å; V340-K344 WeakPolarHBondContact O-CB 3.4Å; V340-K344 WeakPolarHBondContact O-CG 3.42Å; V340-K344 PolarHBondContact O-N 3Å; L341-K344 HydrophobicContact CD2-CD 4.42Å; K344-R346 PolarHBondContact O-N 3.47Å; K344-C347 PolarHBondContact O-N 3.03Å; K344-C347 VanDerWaalsContact O-N 3.14Å; K344-L691 HydrophobicContact CG-CD2 4.07Å; K344-V694 VanDerWaalsContact CE-CG2 3.47Å
345S74Confident63.2Low67 Ų6765.9 Ų65.947%0.46935%0.351SS..THydrogen-bonded Turntrans-64-12.5-179.263.70000115L341 T342 Y343L341-S345 WeakPolarHBondContact O-CB 3.44Å; L341-S345 PolarHBondContact O-N 2.86Å; L341-S345 PolarHBondContact O-OG 3.36Å; L341-S345 VanDerWaalsContact O-OG 3.11Å; T342-S345 PolarHBondContact O-OG 3.33Å; Y343-S345 VanDerWaalsContact C-N 3.27Å; Y343-S345 PolarHBondContact O-N 2.66Å
346R66.8Low60.3Low72 Ų7270 Ų7027%0.27238%0.377SS..THydrogen-bonded Turntrans-107.8-15.3174.8-55.3-162.5-16294.8-3.3114.3T342 Y343 K344 T348 Y438 Q441T342-R346 VanDerWaalsContact CG2-NH2 3.31Å; T342-R346 PolarHBondContact O-NH1 3.48Å; Y343-R346 PolarHBondContact O-N 3.38Å; K344-R346 PolarHBondContact O-N 3.47Å; R346-T348 PolarHBondContact O-N 2.98Å; R346-T348 VanDerWaalsContact O-N 3.14Å; R346-Y438 WeakPolarHBondContact CD-OH 3.31Å; R346-Y438 VanDerWaalsContact CZ-CD1 3.42Å; R346-Y438 VanDerWaalsContact NE-CZ 3.26Å; R346-Y438 PolarHBondContact NE-OH 3.1Å; R346-Q441 VanDerWaalsContact CZ-OE1 3.29Å; R346-Q441 VanDerWaalsContact NE-OE1 3.11Å
347C53.3Low57.5Low44 Ų4474.8 Ų74.830%0.29741%0.406SS..  trans-81.327.6175.8-65.60000112.8Y343 K344Y343-C347 PolarHBondContact O-N 3.16Å; K344-C347 PolarHBondContact O-N 3.03Å; K344-C347 VanDerWaalsContact O-N 3.14Å
348T37.1Very low54.9Low89 Ų8980.7 Ų80.755%0.54644%0.442SS..  trans-68.6129.5170.142.40000109.4R346 Y350R346-T348 PolarHBondContact O-N 2.98Å; R346-T348 VanDerWaalsContact O-N 3.14Å; T348-Y350 PolarHBondContact O-N 3.25Å
349P31.5Very low52.8Low103 Ų10385 Ų8567%0.66946%0.459SS*.  trans-71.8106.3-17126.9-34.3000111.1H351P349-H351 PolarHBondContact O-N 3.27Å
350Y29.5Very low50.9Low209 Ų20991.3 Ų91.382%0.8249%0.49SS*.  trans-70.7109.9155.1-81.1-84.9000108.1T348 T352T348-Y350 PolarHBondContact O-N 3.25Å; Y350-T352 VanDerWaalsContact C-N 3.25Å; Y350-T352 PolarHBondContact O-N 3.32Å
351H29Very low49.3Very low186 Ų18697.9 Ų97.986%0.86153%0.525SS*.  trans-6488.6164.5-85.4-76.4000109.4P349P349-H351 PolarHBondContact O-N 3.27Å
352T28.7Very low48.7Very low84 Ų8499.4 Ų99.452%0.51553%0.534SS..  trans-67.3139.4155.246.40000108.4Y350 T354Y350-T352 VanDerWaalsContact C-N 3.25Å; Y350-T352 PolarHBondContact O-N 3.32Å; T352-T354 PolarHBondContact O-N 3.42Å
353T33.2Very low48.5Very low151 Ų15199.4 Ų99.493%0.92653%0.533SS*.SBendtrans-73.127.7-177.742.20000114.2
354T35.6Very low48.5Very low88 Ų8898.4 Ų98.454%0.5453%0.53SS..SBendtrans-135133.9173.652.40000107.9T352 T356T352-T354 PolarHBondContact O-N 3.42Å; T354-T356 PolarHBondContact O-N 3.13Å
355N33.5Very low48.7Very low176 Ų17698.2 Ų98.294%0.94153%0.53SS*.SBendtrans-7350.5-172.3-72.5-13.6000114
356T31.2Very low49.3Very low88 Ų8896 Ų9654%0.5452%0.515SS..  trans-135.189.1178.751.60000109.1T354 T358T354-T356 PolarHBondContact O-N 3.13Å; T356-T358 VanDerWaalsContact C-N 3.34Å; T356-T358 PolarHBondContact O-N 3.11Å
357T32.5Very low50.4Low99 Ų9993.1 Ų93.161%0.60751%0.506SS*.  trans-68.292.8165.846.70000108.8Y359T357-Y359 HydrophobicContact CG2-CE2 4.4Å; T357-Y359 PolarHBondContact O-N 3.29Å; T357-Y359 WeakPolarHBondContact OG1-CE2 3.33Å
358T34.1Very low52.2Low128 Ų12891.5 Ų91.579%0.78549%0.494SS*.  trans-7680.3168.449.80000109.1T356T356-T358 VanDerWaalsContact C-N 3.34Å; T356-T358 PolarHBondContact O-N 3.11Å
359Y45.9Very low54.8Low91 Ų9187.3 Ų87.336%0.35747%0.468SS..  trans-57144.5158.8-66.7-81.2000108.3T357 D361 Y696T357-Y359 HydrophobicContact CG2-CE2 4.4Å; T357-Y359 PolarHBondContact O-N 3.29Å; T357-Y359 WeakPolarHBondContact OG1-CE2 3.33Å; Y359-D361 VanDerWaalsContact C-N 3.29Å; Y359-D361 WeakPolarHBondContact CB-OD1 3.12Å; Y359-D361 PolarHBondContact O-N 2.81Å; Y359-Y696 WeakPolarHBondContact CE1-OH 3.45Å
360M50.9Low57.8Low135 Ų13582.4 Ų82.467%0.66544%0.436SS*.  trans-78.495.4154.5-77-77.9136.500104.5Y343 D362Y343-M360 VanDerWaalsContact OH-CB 3.26Å; Y343-M360 WeakPolarHBondContact OH-CB 3.38Å; Y343-M360 PolarHBondContact OH-O 3.41Å; M360-D362 PolarHBondContact O-N 3.31Å; M360-D362 VanDerWaalsContact O-N 3.13Å
361D55.1Low60.9Low139 Ų13972.4 Ų72.474%0.74340%0.397SS*.  trans-73.5-0.2-161.9-79.9-60.1000115.7Y359Y359-D361 VanDerWaalsContact C-N 3.29Å; Y359-D361 WeakPolarHBondContact CB-OD1 3.12Å; Y359-D361 PolarHBondContact O-N 2.81Å
362D74Confident64.1Low60 Ų6063.6 Ų63.632%0.32136%0.356SS..  trans-144.1120.2-175.4-167.3-6.5000114.5M360 T364 Q365M360-D362 PolarHBondContact O-N 3.31Å; M360-D362 VanDerWaalsContact O-N 3.13Å; D362-T364 VanDerWaalsContact C-N 3.3Å; D362-T364 PolarHBondContact O-N 3.06Å; D362-T364 WeakPolarHBondContact OD1-CB 3.34Å; D362-T364 VanDerWaalsContact OD1-CG2 3.31Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.27Å; D362-T364 PolarHBondContact OD1-N 3.15Å; D362-T364 PolarHBondContact OD1-OG1 3.19Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; D362-Q365 HydrophobicContact CB-CB 4.34Å; D362-Q365 HydrophobicContact CB-CG 3.85Å; D362-Q365 PolarHBondContact O-N 3.04Å
363I81.5Confident67.2Low2 Ų259.6 Ų59.61%0.0133%0.332CS..THydrogen-bonded Turntrans-71.9-20.6175.6-167150.9000113.1N339 V340 Y343 Q365 C366 S369 S688 L691N339-I363 WeakPolarHBondContact ND2-CD1 3.24Å; V340-I363 HydrophobicContact CG2-CD1 4.29Å; Y343-I363 HydrophobicContact CD2-CD1 4.21Å; Y343-I363 HydrophobicContact CD2-CG1 4.47Å; Y343-I363 HydrophobicContact CG-CD1 4.11Å; I363-Q365 VanDerWaalsContact C-N 3.28Å; I363-C366 WeakPolarHBondContact O-CB 3.29Å; I363-C366 PolarHBondContact O-N 3.4Å; I363-S369 WeakPolarHBondContact CG1-OG 3.42Å; I363-S369 VanDerWaalsContact O-CB 3.23Å; I363-S369 WeakPolarHBondContact O-CB 3.35Å; I363-S369 PolarHBondContact O-OG 3.03Å; I363-S369 VanDerWaalsContact O-OG 3.05Å; I363-S688 VanDerWaalsContact CG2-OG 3.3Å; I363-S688 WeakPolarHBondContact CG2-OG 3.34Å; I363-L691 HydrophobicContact CB-CD1 3.74Å; I363-L691 HydrophobicContact CD1-CD1 3.57Å; I363-L691 HydrophobicContact CG1-CD1 4.27Å; I363-L691 HydrophobicContact CG2-CD1 3.89Å
364T82.4Confident70.2Confident9 Ų952.4 Ų52.46%0.05529%0.287CS..THydrogen-bonded Turntrans-73.9-19.3173.981.30000112.7D362 L370 N648 L684D362-T364 VanDerWaalsContact C-N 3.3Å; D362-T364 PolarHBondContact O-N 3.06Å; D362-T364 WeakPolarHBondContact OD1-CB 3.34Å; D362-T364 VanDerWaalsContact OD1-CG2 3.31Å; D362-T364 WeakPolarHBondContact OD1-CG2 3.27Å; D362-T364 PolarHBondContact OD1-N 3.15Å; D362-T364 PolarHBondContact OD1-OG1 3.19Å; D362-T364 PolarHBondContact OD2-OG1 3.49Å; T364-L370 WeakPolarHBondContact O-CD1 3.39Å; T364-L370 WeakPolarHBondContact O-CD2 3.45Å; T364-N648 PolarHBondContact O-ND2 3.31Å; T364-L684 HydrophobicContact CG2-CB 4.33Å; T364-L684 HydrophobicContact CG2-CD2 4.43Å
365Q82.3Confident73.1Confident42 Ų4248.4 Ų48.420%0.19626%0.263CS..SBendtrans-92-10.7176.8-60.8-71.4-18.400112.5D362 I363 P367 N648 R650D362-Q365 HydrophobicContact CB-CB 4.34Å; D362-Q365 HydrophobicContact CB-CG 3.85Å; D362-Q365 PolarHBondContact O-N 3.04Å; I363-Q365 VanDerWaalsContact C-N 3.28Å; Q365-P367 WeakPolarHBondContact O-CD 3.41Å; Q365-N648 VanDerWaalsContact CD-CG 3.47Å; Q365-N648 VanDerWaalsContact NE2-CG 3.26Å; Q365-N648 PolarHBondContact NE2-ND2 3.2Å; Q365-N648 VanDerWaalsContact OE1-CG 3.32Å; Q365-N648 PolarHBondContact OE1-OD1 3.25Å; Q365-R650 PolarHBondContact O-NH1 3.26Å
366C87.7Confident76Confident22 Ų2240 Ų4015%0.14922%0.218CC..  trans-77.3117.7-173.5-176.90000111.5Y343 I363 I368 S369 L370Y343-C366 HydrophobicContact CE2-CB 4.27Å; I363-C366 WeakPolarHBondContact O-CB 3.29Å; I363-C366 PolarHBondContact O-N 3.4Å; C366-I368 PolarHBondContact O-N 3.29Å; C366-I368 VanDerWaalsContact O-N 3.17Å; C366-S369 WeakPolarHBondContact O-CB 3.36Å; C366-S369 PolarHBondContact O-N 3.21Å; C366-S369 VanDerWaalsContact O-N 3.16Å; C366-L370 WeakPolarHBondContact O-CG 3.37Å; C366-L370 PolarHBondContact O-N 3.4Å
367P89.8Confident79.1Confident11 Ų1135.9 Ų35.97%0.07119%0.192CC..Hα-helixtrans-61.5-29-177.2-25.135.9000114Q365 T371 Y492 I495 N496Q365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-T371 VanDerWaalsContact O-CB 3.26Å; P367-T371 WeakPolarHBondContact O-CB 3.42Å; P367-T371 PolarHBondContact O-N 3.49Å; P367-T371 PolarHBondContact O-OG1 2.96Å; P367-Y492 HydrophobicContact CB-CD2 3.88Å; P367-Y492 HydrophobicContact CB-CE2 3.73Å; P367-I495 HydrophobicContact CB-CB 4.19Å; P367-I495 HydrophobicContact CB-CG2 3.8Å; P367-I495 HydrophobicContact CG-CG2 4.28Å; P367-N496 HydrophobicContact CB-CB 4.12Å; P367-N496 HydrophobicContact CG-CB 4.22Å
368I91.3Very high82Confident10 Ų1031.2 Ų31.25%0.05116%0.164CC..Hα-helixtrans-68.4-49175.4-70109.5000111.2C366 T371 F372 Y438 L442 F488 Y492C366-I368 PolarHBondContact O-N 3.29Å; C366-I368 VanDerWaalsContact O-N 3.17Å; I368-T371 PolarHBondContact O-N 3.47Å; I368-F372 VanDerWaalsContact O-CB 3.25Å; I368-F372 WeakPolarHBondContact O-CB 3.2Å; I368-F372 PolarHBondContact O-N 3.48Å; I368-Y438 HydrophobicContact CB-CD1 4.49Å; I368-Y438 HydrophobicContact CD1-CD1 3.32Å; I368-Y438 HydrophobicContact CD1-CE1 3.54Å; I368-Y438 HydrophobicContact CD1-CG 4.37Å; I368-Y438 HydrophobicContact CG1-CD1 3.61Å; I368-Y438 HydrophobicContact CG1-CE1 4.31Å; I368-Y438 HydrophobicContact CG1-CG 4.44Å; I368-Y438 HydrophobicContact CG2-CD1 4.45Å; I368-L442 HydrophobicContact CG2-CD1 4.04Å; I368-F488 HydrophobicContact CG2-CZ 4.28Å; I368-Y492 HydrophobicContact CD1-CD2 4.37Å; I368-Y492 HydrophobicContact CD1-CE2 3.55Å; I368-Y492 HydrophobicContact CG1-CD2 3.9Å; I368-Y492 HydrophobicContact CG1-CE2 3.57Å
369S91.7Very high84.8Confident0 Ų025.1 Ų25.10%013%0.126CC..Hα-helixtrans-55.4-54.6176.2177.80000110.2N339 I363 C366 T371 F372 G373 Y683N339-S369 PolarHBondContact ND2-OG 2.74Å; I363-S369 WeakPolarHBondContact CG1-OG 3.42Å; I363-S369 VanDerWaalsContact O-CB 3.23Å; I363-S369 WeakPolarHBondContact O-CB 3.35Å; I363-S369 PolarHBondContact O-OG 3.03Å; I363-S369 VanDerWaalsContact O-OG 3.05Å; C366-S369 WeakPolarHBondContact O-CB 3.36Å; C366-S369 PolarHBondContact O-N 3.21Å; C366-S369 VanDerWaalsContact O-N 3.16Å; S369-T371 PolarHBondContact O-N 3.41Å; S369-F372 PolarHBondContact O-N 2.95Å; S369-G373 PolarHBondContact O-N 3.17Å; S369-Y683 PolarHBondContact O-OH 3.31Å; S369-Y683 PolarHBondContact OG-OH 3.14Å
370L94Very high87Confident0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-57.6-44.3177.7-67.7174.7000113.2T364 C366 A374 I495 R650 V654 F680 L684T364-L370 WeakPolarHBondContact O-CD1 3.39Å; T364-L370 WeakPolarHBondContact O-CD2 3.45Å; C366-L370 WeakPolarHBondContact O-CG 3.37Å; C366-L370 PolarHBondContact O-N 3.4Å; L370-A374 WeakPolarHBondContact O-CB 3.31Å; L370-A374 PolarHBondContact O-N 2.97Å; L370-I495 HydrophobicContact CB-CD1 4.1Å; L370-I495 HydrophobicContact CD1-CG2 4.09Å; L370-R650 HydrophobicContact CD1-CB 3.64Å; L370-V654 HydrophobicContact CB-CG2 3.97Å; L370-V654 HydrophobicContact CD1-CG2 4.36Å; L370-F680 HydrophobicContact CD2-CE1 4.09Å; L370-F680 HydrophobicContact CD2-CZ 3.57Å; L370-L684 HydrophobicContact CD2-CD1 4.27Å; L370-L684 HydrophobicContact CD2-CD2 4.41Å
371T95Very high88.8Confident0 Ų015.9 Ų15.90%08%0.084CC..Hα-helixtrans-63.4-47.8176.9-58.40000111.4P367 I368 S369 I375 F488 I491 Y492 I495P367-T371 VanDerWaalsContact O-CB 3.26Å; P367-T371 WeakPolarHBondContact O-CB 3.42Å; P367-T371 PolarHBondContact O-N 3.49Å; P367-T371 PolarHBondContact O-OG1 2.96Å; I368-T371 PolarHBondContact O-N 3.47Å; S369-T371 PolarHBondContact O-N 3.41Å; T371-I375 HydrophobicContact CG2-CD1 3.72Å; T371-I375 WeakPolarHBondContact O-CB 3.3Å; T371-I375 VanDerWaalsContact O-CG1 3.31Å; T371-I375 WeakPolarHBondContact O-CG1 3.46Å; T371-I375 PolarHBondContact O-N 2.82Å; T371-I375 VanDerWaalsContact O-N 3.09Å; T371-F488 HydrophobicContact CG2-CD1 4.41Å; T371-F488 HydrophobicContact CG2-CD2 3.49Å; T371-F488 VanDerWaalsContact CG2-CD2 3.49Å; T371-F488 HydrophobicContact CG2-CE2 3.61Å; T371-F488 HydrophobicContact CG2-CG 3.91Å; T371-F488 HydrophobicContact CG2-CZ 4.13Å; T371-I491 HydrophobicContact CG2-CB 3.99Å; T371-I491 HydrophobicContact CG2-CG2 3.78Å; T371-Y492 WeakPolarHBondContact OG1-CA 3.22Å; T371-I495 WeakPolarHBondContact OG1-CD1 3.38Å
372F95.2Very high90.4Very high1 Ų19.9 Ų9.90%0.0045%0.052CC..Hα-helixtrans-64.4-53.3-175.1-178.3-127.3000111.1I335 I338 N339 I368 S369 A374 I375 C376 L442 M481 F482 F488I335-F372 HydrophobicContact CB-CE1 4.49Å; I335-F372 HydrophobicContact CG2-CD1 4.01Å; I335-F372 HydrophobicContact CG2-CE1 3.59Å; I335-F372 HydrophobicContact CG2-CZ 4.17Å; I338-F372 HydrophobicContact CB-CE1 4.28Å; I338-F372 HydrophobicContact CB-CZ 4.5Å; I338-F372 HydrophobicContact CD1-CZ 4.49Å; I338-F372 HydrophobicContact CG2-CE1 4.07Å; I338-F372 HydrophobicContact CG2-CZ 4.08Å; N339-F372 HydrophobicContact CB-CD1 4.27Å; N339-F372 HydrophobicContact CB-CE1 4.49Å; I368-F372 VanDerWaalsContact O-CB 3.25Å; I368-F372 WeakPolarHBondContact O-CB 3.2Å; I368-F372 PolarHBondContact O-N 3.48Å; S369-F372 PolarHBondContact O-N 2.95Å; F372-A374 PolarHBondContact O-N 3.18Å; F372-I375 PolarHBondContact O-N 3.26Å; F372-C376 WeakPolarHBondContact CE2-SG 3.4Å; F372-C376 PolarHBondContact O-N 3.45Å; F372-C376 PolarHBondContact O-SG 3.47Å; F372-L442 HydrophobicContact CB-CD1 4.24Å; F372-L442 HydrophobicContact CD1-CD2 4.14Å; F372-L442 HydrophobicContact CD2-CD1 4.01Å; F372-L442 HydrophobicContact CE1-CD2 4.22Å; F372-L442 HydrophobicContact CG-CD1 4.01Å; F372-L442 HydrophobicContact CG-CD2 4.44Å; F372-M481 HydrophobicContact CE2-CG 3.81Å; F372-M481 HydrophobicContact CZ-CG 3.79Å; F372-M481 HydrophobicContact CZ-SD 3.95Å; F372-F482 HydrophobicContact CD2-CE1 4.36Å; F372-F482 HydrophobicContact CE2-CD1 4.14Å; F372-F482 AromaticContact CE2-CE1 3.53Å; F372-F482 HydrophobicContact CE2-CE1 3.53Å; F372-F482 AromaticContact CE2-CZ 3.96Å; F372-F482 HydrophobicContact CE2-CZ 3.96Å; F372-F482 HydrophobicContact CZ-CE1 4.18Å; F372-F482 HydrophobicContact CZ-CZ 4.18Å; F372-F488 HydrophobicContact CB-CE2 4.06Å
373G95.2Very high91Very high0 Ų07.9 Ų7.90%04%0.041CC..Hα-helixtrans-58.1-47.3178.200000113S369 I375 C376 I377 Y683S369-G373 PolarHBondContact O-N 3.17Å; G373-I375 PolarHBondContact O-N 3.42Å; G373-C376 PolarHBondContact O-N 2.9Å; G373-I377 WeakPolarHBondContact O-CB 3.45Å; G373-I377 VanDerWaalsContact O-CG1 3.3Å; G373-I377 WeakPolarHBondContact O-CG1 3.26Å; G373-I377 PolarHBondContact O-N 3.23Å; G373-Y683 VanDerWaalsContact CA-CE1 3.48Å
374A96.1Very high91.2Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-62-42.8-179.100000112.3L370 F372 C378 V654 I659 F680L370-A374 WeakPolarHBondContact O-CB 3.31Å; L370-A374 PolarHBondContact O-N 2.97Å; F372-A374 PolarHBondContact O-N 3.18Å; A374-C378 VanDerWaalsContact O-CB 3.27Å; A374-C378 WeakPolarHBondContact O-CB 3.36Å; A374-C378 PolarHBondContact O-N 3.21Å; A374-C378 PolarHBondContact O-SG 3.02Å; A374-V654 HydrophobicContact CB-CG1 3.78Å; A374-I659 HydrophobicContact CB-CG1 4.13Å; A374-F680 HydrophobicContact CB-CE2 4.13Å
375I96.2Very high91Very high4 Ų415.9 Ų15.92%0.0218%0.076CC..Hα-helixtrans-65.4-48177.3-71.2173.5000111T371 F372 G373 I377 T379 P483 L487 F488 I491T371-I375 HydrophobicContact CG2-CD1 3.72Å; T371-I375 WeakPolarHBondContact O-CB 3.3Å; T371-I375 VanDerWaalsContact O-CG1 3.31Å; T371-I375 WeakPolarHBondContact O-CG1 3.46Å; T371-I375 PolarHBondContact O-N 2.82Å; T371-I375 VanDerWaalsContact O-N 3.09Å; F372-I375 PolarHBondContact O-N 3.26Å; G373-I375 PolarHBondContact O-N 3.42Å; I375-I377 PolarHBondContact O-N 2.85Å; I375-T379 VanDerWaalsContact O-CB 3.22Å; I375-T379 WeakPolarHBondContact O-CB 3.47Å; I375-T379 PolarHBondContact O-N 3.28Å; I375-T379 PolarHBondContact O-OG1 3.47Å; I375-P483 HydrophobicContact CG2-CG 3.42Å; I375-P483 VanDerWaalsContact CG2-CG 3.42Å; I375-L487 HydrophobicContact CD1-CD2 4.22Å; I375-L487 HydrophobicContact CD1-CG 4.09Å; I375-L487 HydrophobicContact CG1-CD2 4.14Å; I375-L487 HydrophobicContact CG1-CG 4.43Å; I375-L487 HydrophobicContact CG2-CD2 4.29Å; I375-F488 HydrophobicContact CD1-CB 4Å; I375-F488 HydrophobicContact CD1-CD2 4Å; I375-F488 HydrophobicContact CD1-CG 4.42Å; I375-I491 HydrophobicContact CD1-CD1 4.03Å; I375-I491 HydrophobicContact CG1-CD1 3.9Å
376C95.1Very high90.6Very high0 Ų015.5 Ų15.50%07%0.073CC..Hα-helixtrans-60.4-48.1-178.3-63.10000111.6I335 F372 G373 T379 Y380 M481I335-C376 HydrophobicContact CD1-CB 3.68Å; I335-C376 HydrophobicContact CG1-CB 4.47Å; I335-C376 HydrophobicContact CG2-CB 4.45Å; F372-C376 WeakPolarHBondContact CE2-SG 3.4Å; F372-C376 PolarHBondContact O-N 3.45Å; F372-C376 PolarHBondContact O-SG 3.47Å; G373-C376 PolarHBondContact O-N 2.9Å; C376-T379 PolarHBondContact O-N 2.96Å; C376-Y380 WeakPolarHBondContact O-CB 3.32Å; C376-Y380 PolarHBondContact O-N 3.18Å; C376-M481 PolarHBondContact SG-O 2.8Å
377I94.6Very high89Confident1 Ų123.4 Ų23.41%0.00511%0.107CC..Hα-helixtrans-70.9-44.2-174.4-66.6169000111.1W331 L332 G373 I375 T379 Y380 I381 A676 L679 F680 Y683W331-I377 HydrophobicContact CH2-CG1 4.21Å; W331-I377 HydrophobicContact CZ3-CG1 4.37Å; L332-I377 HydrophobicContact CD1-CD1 3.94Å; L332-I377 HydrophobicContact CD1-CG1 4.09Å; G373-I377 WeakPolarHBondContact O-CB 3.45Å; G373-I377 VanDerWaalsContact O-CG1 3.3Å; G373-I377 WeakPolarHBondContact O-CG1 3.26Å; G373-I377 PolarHBondContact O-N 3.23Å; I375-I377 PolarHBondContact O-N 2.85Å; I377-T379 VanDerWaalsContact C-N 3.29Å; I377-T379 PolarHBondContact O-N 2.85Å; I377-Y380 PolarHBondContact O-N 3.42Å; I377-I381 HydrophobicContact CG2-CD1 4.01Å; I377-I381 WeakPolarHBondContact O-CG1 3.49Å; I377-I381 PolarHBondContact O-N 3.39Å; I377-A676 HydrophobicContact CG2-CB 4.38Å; I377-L679 HydrophobicContact CD1-CB 4.18Å; I377-L679 HydrophobicContact CG1-CB 4.48Å; I377-L679 HydrophobicContact CG2-CB 3.71Å; I377-L679 HydrophobicContact CG2-CD1 4.11Å; I377-F680 VanDerWaalsContact CD1-CA 3.5Å; I377-F680 HydrophobicContact CD1-CB 4.06Å; I377-F680 HydrophobicContact CD1-CD2 4.15Å; I377-Y683 HydrophobicContact CD1-CG 4.49Å
378C94.1Very high87.6Confident0 Ų028.3 Ų28.30%013%0.125CC..Hα-helixtrans-62.3-39.7174.9-65.60000111.3A374 L382 L662 L663A374-C378 VanDerWaalsContact O-CB 3.27Å; A374-C378 WeakPolarHBondContact O-CB 3.36Å; A374-C378 PolarHBondContact O-N 3.21Å; A374-C378 PolarHBondContact O-SG 3.02Å; C378-L382 VanDerWaalsContact O-CB 3.29Å; C378-L382 WeakPolarHBondContact O-CB 3.39Å; C378-L382 WeakPolarHBondContact O-CD1 3.24Å; C378-L382 WeakPolarHBondContact O-CG 3.25Å; C378-L382 PolarHBondContact O-N 3.4Å; C378-L662 HydrophobicContact CB-CB 3.81Å; C378-L662 HydrophobicContact CB-CD1 3.94Å; C378-L663 HydrophobicContact CB-CD2 4.21Å
379T92.7Very high85.9Confident0 Ų033.6 Ų33.60%016%0.163CC..Hα-helixtrans-68.5-41.4179-54.30000112I375 C376 I377 L382 I383 F402 M480 P483I375-T379 VanDerWaalsContact O-CB 3.22Å; I375-T379 WeakPolarHBondContact O-CB 3.47Å; I375-T379 PolarHBondContact O-N 3.28Å; I375-T379 PolarHBondContact O-OG1 3.47Å; C376-T379 PolarHBondContact O-N 2.96Å; I377-T379 VanDerWaalsContact C-N 3.29Å; I377-T379 PolarHBondContact O-N 2.85Å; T379-L382 PolarHBondContact O-N 2.97Å; T379-I383 HydrophobicContact CG2-CD1 3.72Å; T379-I383 HydrophobicContact CG2-CG1 4.48Å; T379-I383 WeakPolarHBondContact O-CG1 3.47Å; T379-I383 PolarHBondContact O-N 2.83Å; T379-F402 HydrophobicContact CG2-CE2 4.03Å; T379-F402 HydrophobicContact CG2-CZ 4.09Å; T379-F402 VanDerWaalsContact OG1-CZ 3.29Å; T379-F402 WeakPolarHBondContact OG1-CZ 3.4Å; T379-M480 WeakPolarHBondContact CB-O 3.4Å; T379-M480 HydrophobicContact CG2-CB 4.48Å; T379-M480 WeakPolarHBondContact CG2-O 3.48Å; T379-P483 HydrophobicContact CG2-CB 4.13Å; T379-P483 HydrophobicContact CG2-CG 4.21Å
380Y91.3Very high84.3Confident28 Ų2838.8 Ų38.811%0.1119%0.191CC..Hα-helixtrans-56.9-52.4172.8170.3-97.2000111.6W331 C376 I377 L382 I383 K384 L476W331-Y380 HydrophobicContact CD2-CD2 4.38Å; W331-Y380 HydrophobicContact CD2-CE2 4.3Å; W331-Y380 AromaticContact CE2-CD2 3.96Å; W331-Y380 AromaticContact CE2-CE1 3.88Å; W331-Y380 AromaticContact CE2-CE2 3.64Å; W331-Y380 AromaticContact CE2-CZ 3.59Å; W331-Y380 AromaticContact CH2-CD1 3.63Å; W331-Y380 HydrophobicContact CH2-CD1 3.63Å; W331-Y380 HydrophobicContact CH2-CD2 4.24Å; W331-Y380 HydrophobicContact CH2-CE1 4.09Å; W331-Y380 AromaticContact CH2-CG 3.71Å; W331-Y380 HydrophobicContact CH2-CG 3.71Å; W331-Y380 AromaticContact CZ2-CD1 3.36Å; W331-Y380 HydrophobicContact CZ2-CD1 3.36Å; W331-Y380 AromaticContact CZ2-CD2 3.93Å; W331-Y380 HydrophobicContact CZ2-CD2 3.93Å; W331-Y380 AromaticContact CZ2-CE1 3.31Å; W331-Y380 HydrophobicContact CZ2-CE1 3.31Å; W331-Y380 AromaticContact CZ2-CE2 3.87Å; W331-Y380 HydrophobicContact CZ2-CE2 3.87Å; W331-Y380 AromaticContact CZ2-CG 3.67Å; W331-Y380 HydrophobicContact CZ2-CG 3.67Å; W331-Y380 AromaticContact CZ2-CZ 3.56Å; W331-Y380 HydrophobicContact CZ3-CG 4.3Å; W331-Y380 AromaticContact NE1-CE2 3.58Å; W331-Y380 AromaticContact NE1-CZ 3.42Å; W331-Y380 PolarHBondContact NE1-OH 3.07Å; C376-Y380 WeakPolarHBondContact O-CB 3.32Å; C376-Y380 PolarHBondContact O-N 3.18Å; I377-Y380 PolarHBondContact O-N 3.42Å; Y380-L382 PolarHBondContact O-N 2.96Å; Y380-I383 PolarHBondContact O-N 2.83Å; Y380-K384 HydrophobicContact CE1-CD 3.7Å; Y380-K384 HydrophobicContact CE2-CD 4.4Å; Y380-K384 WeakPolarHBondContact O-CB 3.48Å; Y380-K384 PolarHBondContact O-N 3.47Å; Y380-K384 WeakPolarHBondContact OH-CD 3.37Å; Y380-K384 PolarHBondContact OH-NZ 2.68Å; Y380-L476 HydrophobicContact CD2-CD1 4.05Å; Y380-L476 HydrophobicContact CD2-CD2 3.72Å; Y380-L476 HydrophobicContact CE2-CD2 4.07Å; Y380-L476 HydrophobicContact CG-CD1 4.45Å
381I90.3Very high82.6Confident5 Ų539.7 Ų39.73%0.02620%0.195CC..Hα-helixtrans-59.6-48.5179.5-71171.1000110.8I377 I383 K384 H385 L663 Y672 A676 L679I377-I381 HydrophobicContact CG2-CD1 4.01Å; I377-I381 WeakPolarHBondContact O-CG1 3.49Å; I377-I381 PolarHBondContact O-N 3.39Å; I381-I383 VanDerWaalsContact C-N 3.29Å; I381-I383 PolarHBondContact O-N 2.96Å; I381-K384 PolarHBondContact O-N 2.82Å; I381-H385 PolarHBondContact O-CD2 2.88Å; I381-H385 PolarHBondContact O-N 3.36Å; I381-L663 HydrophobicContact CB-CD2 4.31Å; I381-L663 HydrophobicContact CG2-CD2 3.92Å; I381-Y672 HydrophobicContact CG2-CD2 4.31Å; I381-Y672 HydrophobicContact CG2-CG 3.9Å; I381-A676 VanDerWaalsContact CD1-CA 3.48Å; I381-A676 HydrophobicContact CD1-CB 3.43Å; I381-A676 VanDerWaalsContact CD1-CB 3.43Å; I381-L679 HydrophobicContact CD1-CD1 4.22Å; I381-L679 HydrophobicContact CG1-CD1 4.39Å
382L89Confident81Confident12 Ų1242.7 Ų42.76%0.06321%0.21CC..Hα-helixtrans-63.7-31.4-178.1-71.9166.9000113C378 T379 Y380 Y386 L398 F402 L662 L663 Y665C378-L382 VanDerWaalsContact O-CB 3.29Å; C378-L382 WeakPolarHBondContact O-CB 3.39Å; C378-L382 WeakPolarHBondContact O-CD1 3.24Å; C378-L382 WeakPolarHBondContact O-CG 3.25Å; C378-L382 PolarHBondContact O-N 3.4Å; T379-L382 PolarHBondContact O-N 2.97Å; Y380-L382 PolarHBondContact O-N 2.96Å; L382-Y386 WeakPolarHBondContact O-CB 3.47Å; L382-Y386 WeakPolarHBondContact O-CD2 3.45Å; L382-L398 HydrophobicContact CB-CD1 4.14Å; L382-L398 HydrophobicContact CD1-CD1 3.94Å; L382-F402 HydrophobicContact CD1-CE1 3.67Å; L382-F402 HydrophobicContact CD1-CZ 4Å; L382-L662 WeakPolarHBondContact CD1-O 3.44Å; L382-L663 HydrophobicContact CD2-CD2 4.3Å; L382-L663 HydrophobicContact CG-CD2 4.09Å; L382-Y665 HydrophobicContact CD2-CD1 3.94Å; L382-Y665 HydrophobicContact CD2-CG 4.29Å
383I86.6Confident79.6Confident19 Ų1944.6 Ų44.610%0.09722%0.224CC..Hα-helixtrans-85.7-41.9177.1-60.4167.6000111.1L53 T379 Y380 I381 H385 Y386 Y394 L398 Y479 M480L53-I383 HydrophobicContact CD1-CD1 4.46Å; T379-I383 HydrophobicContact CG2-CD1 3.72Å; T379-I383 HydrophobicContact CG2-CG1 4.48Å; T379-I383 WeakPolarHBondContact O-CG1 3.47Å; T379-I383 PolarHBondContact O-N 2.83Å; Y380-I383 PolarHBondContact O-N 2.83Å; I381-I383 VanDerWaalsContact C-N 3.29Å; I381-I383 PolarHBondContact O-N 2.96Å; I383-H385 VanDerWaalsContact C-N 3.32Å; I383-H385 PolarHBondContact O-N 3.46Å; I383-Y386 PolarHBondContact O-N 2.88Å; I383-Y394 HydrophobicContact CB-CE2 4.47Å; I383-Y394 HydrophobicContact CD1-CD2 4.49Å; I383-Y394 HydrophobicContact CD1-CE2 3.75Å; I383-Y394 HydrophobicContact CG1-CD2 4.03Å; I383-Y394 HydrophobicContact CG1-CE2 3.71Å; I383-Y394 HydrophobicContact CG2-CD2 4.41Å; I383-Y394 HydrophobicContact CG2-CE1 4.33Å; I383-Y394 HydrophobicContact CG2-CE2 3.91Å; I383-L398 HydrophobicContact CD1-CD2 4.14Å; I383-L398 HydrophobicContact CG1-CD2 3.67Å; I383-Y479 HydrophobicContact CD1-CD2 4.41Å; I383-M480 HydrophobicContact CB-CE 4.19Å; I383-M480 HydrophobicContact CD1-CE 4.33Å; I383-M480 HydrophobicContact CD1-CG 3.91Å; I383-M480 HydrophobicContact CG2-CE 3.72Å
384K83.8Confident78.6Confident113 Ų11345.4 Ų45.449%0.49123%0.227SC..Hα-helixtrans-57.9-42.2179.2179.8-179.7-174.7176.50112.7Y380 I381Y380-K384 HydrophobicContact CE1-CD 3.7Å; Y380-K384 HydrophobicContact CE2-CD 4.4Å; Y380-K384 WeakPolarHBondContact O-CB 3.48Å; Y380-K384 PolarHBondContact O-N 3.47Å; Y380-K384 WeakPolarHBondContact OH-CD 3.37Å; Y380-K384 PolarHBondContact OH-NZ 2.68Å; I381-K384 PolarHBondContact O-N 2.82Å
385H78.9Confident77.7Confident65 Ų6545.6 Ų45.630%0.30123%0.228SC..THydrogen-bonded Turntrans-94.73.8-175.9-66.7-85000113.8I381 I383 H387 Y672I381-H385 PolarHBondContact O-CD2 2.88Å; I381-H385 PolarHBondContact O-N 3.36Å; I383-H385 VanDerWaalsContact C-N 3.32Å; I383-H385 PolarHBondContact O-N 3.46Å; H385-H387 PolarHBondContact O-N 3.17Å; H385-Y672 HydrophobicContact CB-CE1 4.23Å; H385-Y672 HydrophobicContact CB-CE2 3.85Å; H385-Y672 AromaticContact CD2-CE1 3.98Å; H385-Y672 AromaticContact CE1-CE1 3.58Å; H385-Y672 AromaticContact CG-CE1 3.57Å; H385-Y672 AromaticContact CG-CZ 3.52Å; H385-Y672 AromaticContact ND1-CE1 3.31Å; H385-Y672 VanDerWaalsContact ND1-CE1 3.31Å; H385-Y672 WeakPolarHBondContact ND1-CE1 3.33Å; H385-Y672 AromaticContact ND1-CZ 3.45Å; H385-Y672 PolarHBondContact ND1-OH 3.17Å
386Y73.6Confident77Confident35 Ų3553.7 Ų53.714%0.13726%0.263CS..  trans-89.9101.6172.5-105.4-100.7000112L382 I383 Y388 Y665 Q666 Y668L382-Y386 WeakPolarHBondContact O-CB 3.47Å; L382-Y386 WeakPolarHBondContact O-CD2 3.45Å; I383-Y386 PolarHBondContact O-N 2.88Å; Y386-Y388 HydrophobicContact CD1-CD2 4.02Å; Y386-Y388 AromaticContact CD1-CE2 3.99Å; Y386-Y388 HydrophobicContact CD1-CE2 3.99Å; Y386-Y388 HydrophobicContact CE1-CE2 4.29Å; Y386-Y388 PolarHBondContact O-N 2.94Å; Y386-Y665 HydrophobicContact CD1-CE1 4.17Å; Y386-Y665 HydrophobicContact CD2-CD1 4.15Å; Y386-Y665 HydrophobicContact CD2-CE1 4.02Å; Y386-Y665 HydrophobicContact CE1-CD1 4.31Å; Y386-Y665 AromaticContact CE1-CE1 3.6Å; Y386-Y665 HydrophobicContact CE1-CE1 3.6Å; Y386-Y665 AromaticContact CE2-CD1 3.34Å; Y386-Y665 HydrophobicContact CE2-CD1 3.34Å; Y386-Y665 AromaticContact CE2-CE1 3.41Å; Y386-Y665 HydrophobicContact CE2-CE1 3.41Å; Y386-Y665 VanDerWaalsContact CE2-CE1 3.41Å; Y386-Y665 HydrophobicContact CG-CE1 4.36Å; Y386-Y665 AromaticContact CZ-CD1 3.45Å; Y386-Y665 VanDerWaalsContact CZ-CD1 3.45Å; Y386-Y665 AromaticContact CZ-CE1 3.18Å; Y386-Y665 WeakPolarHBondContact OH-CD1 3.47Å; Y386-Y665 WeakPolarHBondContact OH-CE1 3.17Å; Y386-Q666 WeakPolarHBondContact OH-CB 3.23Å; Y386-Q666 WeakPolarHBondContact OH-CG 3.42Å; Y386-Q666 PolarHBondContact OH-OE1 3.12Å; Y386-Y668 HydrophobicContact CE2-CD2 4.42Å
387H55Low76.5Confident187 Ų18755.6 Ų55.687%0.86628%0.276SS*.  trans-68.689.8170.6-71.2-79.3000111.5H385H385-H387 PolarHBondContact O-N 3.17Å
388Y60.5Low76.1Confident114 Ų11455.7 Ų55.745%0.44728%0.276SS..  trans-130.3127.2158-82.9-63.8000110.5Y386 N390 S393Y386-Y388 HydrophobicContact CD1-CD2 4.02Å; Y386-Y388 AromaticContact CD1-CE2 3.99Å; Y386-Y388 HydrophobicContact CD1-CE2 3.99Å; Y386-Y388 HydrophobicContact CE1-CE2 4.29Å; Y386-Y388 PolarHBondContact O-N 2.94Å; Y388-N390 PolarHBondContact O-N 3.48Å; Y388-N390 VanDerWaalsContact O-N 3.11Å; Y388-S393 WeakPolarHBondContact CD1-OG 3.36Å; Y388-S393 WeakPolarHBondContact CD2-OG 3.42Å; Y388-S393 WeakPolarHBondContact CE1-OG 3.31Å; Y388-S393 VanDerWaalsContact CG-OG 3.25Å
389S54.2Low75.8Confident122 Ų12260 Ų6085%0.85330%0.295SS*.SBendtrans-67.2-4.8176.739.40000114.6
390N59.7Low75.7Confident109 Ų10966.6 Ų66.658%0.58332%0.324SS*.SBendtrans-135.6127.7-179.7-83.2-47.1000111.8Y388 L392 S393Y388-N390 PolarHBondContact O-N 3.48Å; Y388-N390 VanDerWaalsContact O-N 3.11Å; N390-L392 PolarHBondContact O-N 3.38Å; N390-L392 VanDerWaalsContact O-N 3.11Å; N390-S393 WeakPolarHBondContact O-CB 3.25Å; N390-S393 PolarHBondContact O-N 3.33Å
391H57.7Low75.6Confident18 Ų1866.2 Ų66.28%0.08332%0.323CS..Hα-helixtrans-51.7-35.9-179.6-176.5-107.3000113.9S60 Q138 L139 S393 Y394 C395S60-H391 PolarHBondContact OG-CE1 3.03Å; S60-H391 PolarHBondContact OG-ND1 3.02Å; Q138-H391 PolarHBondContact NE2-CD2 2.87Å; Q138-H391 VanDerWaalsContact NE2-CD2 3.26Å; Q138-H391 PolarHBondContact OE1-CD2 3.37Å; Q138-H391 VanDerWaalsContact OE1-CD2 3.23Å; Q138-H391 PolarHBondContact OE1-NE2 2.99Å; L139-H391 HydrophobicContact CD2-CB 4.44Å; H391-S393 PolarHBondContact O-N 3.11Å; H391-Y394 AromaticContact CD2-CE1 3.4Å; H391-Y394 VanDerWaalsContact CD2-CE1 3.4Å; H391-Y394 WeakPolarHBondContact CD2-CE1 3.47Å; H391-Y394 AromaticContact CD2-CZ 3.59Å; H391-Y394 PolarHBondContact CD2-OH 2.66Å; H391-Y394 AromaticContact NE2-CE1 3.95Å; H391-Y394 AromaticContact NE2-CZ 3.64Å; H391-Y394 PolarHBondContact NE2-OH 3.17Å; H391-Y394 VanDerWaalsContact O-CD1 3.3Å; H391-Y394 WeakPolarHBondContact O-CD1 3.43Å; H391-Y394 WeakPolarHBondContact O-CE1 3.31Å; H391-C395 PolarHBondContact O-SG 2.86Å
392L61.1Low75.6Confident63 Ų6366.1 Ų66.133%0.3332%0.322SS..Hα-helixtrans-62.8-27.4179.9-169.367.3000113.5G57 R61 N390G57-L392 WeakPolarHBondContact O-CD1 3.45Å; R61-L392 HydrophobicContact CB-CD1 3.98Å; N390-L392 PolarHBondContact O-N 3.38Å; N390-L392 VanDerWaalsContact O-N 3.11Å
393S66.2Low75.7Confident41 Ų4169.1 Ų69.129%0.28733%0.333SS..Hα-helixtrans-71.4-37.8-168.7-161.90000113.1Y388 N390 H391 P397Y388-S393 WeakPolarHBondContact CD1-OG 3.36Å; Y388-S393 WeakPolarHBondContact CD2-OG 3.42Å; Y388-S393 WeakPolarHBondContact CE1-OG 3.31Å; Y388-S393 VanDerWaalsContact CG-OG 3.25Å; N390-S393 WeakPolarHBondContact O-CB 3.25Å; N390-S393 PolarHBondContact O-N 3.33Å; H391-S393 PolarHBondContact O-N 3.11Å; S393-P397 WeakPolarHBondContact O-CD 3.38Å; S393-P397 VanDerWaalsContact O-CG 3.24Å; S393-P397 WeakPolarHBondContact O-CG 3.41Å
394Y73.1Confident76Confident18 Ų1873.9 Ų73.97%0.07135%0.353CS..Hα-helixtrans-85-34.8-177.677-96.3000112.9L53 I383 H391 K396 P397 L398 Y479L53-Y394 HydrophobicContact CD1-CE2 3.91Å; I383-Y394 HydrophobicContact CB-CE2 4.47Å; I383-Y394 HydrophobicContact CD1-CD2 4.49Å; I383-Y394 HydrophobicContact CD1-CE2 3.75Å; I383-Y394 HydrophobicContact CG1-CD2 4.03Å; I383-Y394 HydrophobicContact CG1-CE2 3.71Å; I383-Y394 HydrophobicContact CG2-CD2 4.41Å; I383-Y394 HydrophobicContact CG2-CE1 4.33Å; I383-Y394 HydrophobicContact CG2-CE2 3.91Å; H391-Y394 AromaticContact CD2-CE1 3.4Å; H391-Y394 VanDerWaalsContact CD2-CE1 3.4Å; H391-Y394 WeakPolarHBondContact CD2-CE1 3.47Å; H391-Y394 AromaticContact CD2-CZ 3.59Å; H391-Y394 PolarHBondContact CD2-OH 2.66Å; H391-Y394 AromaticContact NE2-CE1 3.95Å; H391-Y394 AromaticContact NE2-CZ 3.64Å; H391-Y394 PolarHBondContact NE2-OH 3.17Å; H391-Y394 VanDerWaalsContact O-CD1 3.3Å; H391-Y394 WeakPolarHBondContact O-CD1 3.43Å; H391-Y394 WeakPolarHBondContact O-CE1 3.31Å; Y394-K396 PolarHBondContact O-N 2.82Å; Y394-P397 VanDerWaalsContact O-CD 3.27Å; Y394-P397 WeakPolarHBondContact O-CD 3.46Å; Y394-P397 WeakPolarHBondContact O-CG 3.41Å; Y394-L398 HydrophobicContact CD2-CD2 4.12Å; Y394-L398 WeakPolarHBondContact O-CB 3.24Å; Y394-L398 PolarHBondContact O-N 3.15Å; Y394-Y479 VanDerWaalsContact OH-CE2 3.23Å; Y394-Y479 WeakPolarHBondContact OH-CE2 3.41Å
395C77.3Confident76.3Confident3 Ų368.8 Ų68.82%0.0233%0.332CS..Hα-helixtrans-59.7-42.7-172.5-64.70000113.5H391 K399H391-C395 PolarHBondContact O-SG 2.86Å; C395-K399 WeakPolarHBondContact O-CB 3.46Å; C395-K399 PolarHBondContact O-N 3.4Å
396K83.1Confident76.9Confident174 Ų17465.7 Ų65.776%0.75732%0.317SS*.Hα-helixtrans-64.7-55-179.4179.5-179.7179.7-176.30112.6Y394 K400Y394-K396 PolarHBondContact O-N 2.82Å; K396-K400 PolarHBondContact O-N 3.18Å; K396-K400 VanDerWaalsContact O-N 3.14Å
397P84.2Confident77.7Confident41 Ų4168 Ų6827%0.26633%0.329SS..Hα-helixtrans-72-31.2179.430.4-37.1000113S393 Y394 K400 H401 Y665S393-P397 WeakPolarHBondContact O-CD 3.38Å; S393-P397 VanDerWaalsContact O-CG 3.24Å; S393-P397 WeakPolarHBondContact O-CG 3.41Å; Y394-P397 VanDerWaalsContact O-CD 3.27Å; Y394-P397 WeakPolarHBondContact O-CD 3.46Å; Y394-P397 WeakPolarHBondContact O-CG 3.41Å; P397-K400 PolarHBondContact O-N 3.2Å; P397-H401 WeakPolarHBondContact O-CB 3.36Å; P397-H401 PolarHBondContact O-N 3.34Å; P397-Y665 WeakPolarHBondContact CB-OH 3.41Å; P397-Y665 VanDerWaalsContact CG-OH 3.27Å; P397-Y665 WeakPolarHBondContact CG-OH 3.05Å
398L86.2Confident79.3Confident2 Ų263.9 Ų63.91%0.0131%0.31CS..Hα-helixtrans-69.5-40.6174.5-172.961.7000112.4L53 L382 I383 Y394 K400 H401 F402 Y665L53-L398 HydrophobicContact CD1-CD2 4.5Å; L53-L398 HydrophobicContact CD2-CB 4.3Å; L53-L398 HydrophobicContact CD2-CD2 3.81Å; L53-L398 HydrophobicContact CD2-CG 3.83Å; L382-L398 HydrophobicContact CB-CD1 4.14Å; L382-L398 HydrophobicContact CD1-CD1 3.94Å; I383-L398 HydrophobicContact CD1-CD2 4.14Å; I383-L398 HydrophobicContact CG1-CD2 3.67Å; Y394-L398 HydrophobicContact CD2-CD2 4.12Å; Y394-L398 WeakPolarHBondContact O-CB 3.24Å; Y394-L398 PolarHBondContact O-N 3.15Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 2.91Å; L398-H401 WeakPolarHBondContact O-CB 3.42Å; L398-H401 PolarHBondContact O-N 2.86Å; L398-F402 HydrophobicContact CD1-CD1 4.4Å; L398-F402 HydrophobicContact CD1-CE1 3.93Å; L398-F402 HydrophobicContact CD1-CE2 4.22Å; L398-F402 HydrophobicContact CD1-CZ 3.82Å; L398-F402 HydrophobicContact CD2-CE2 4.26Å; L398-F402 HydrophobicContact CD2-CZ 4.33Å; L398-F402 HydrophobicContact CG-CD2 4.36Å; L398-F402 HydrophobicContact CG-CE2 3.97Å; L398-F402 HydrophobicContact CG-CZ 4.07Å; L398-F402 PolarHBondContact O-N 3.27Å; L398-Y665 HydrophobicContact CD1-CD1 4.33Å; L398-Y665 HydrophobicContact CD1-CE1 4.23Å; L398-Y665 PolarHBondContact N-OH 3.28Å
399K87.3Confident80.7Confident90 Ų9058.5 Ų58.539%0.39129%0.289SS..Hα-helixtrans-56-48168.9178.8-166.8-178.8176.90111A54 C395 H401 F402 Y403A54-K399 HydrophobicContact CB-CD 3.5Å; A54-K399 VanDerWaalsContact CB-CD 3.5Å; A54-K399 VanDerWaalsContact CB-CE 3.48Å; A54-K399 HydrophobicContact CB-CG 4.06Å; C395-K399 WeakPolarHBondContact O-CB 3.46Å; C395-K399 PolarHBondContact O-N 3.4Å; K399-H401 VanDerWaalsContact C-N 3.26Å; K399-H401 PolarHBondContact O-N 3.21Å; K399-F402 PolarHBondContact O-N 2.81Å; K399-Y403 WeakPolarHBondContact O-CB 3.23Å; K399-Y403 PolarHBondContact O-N 3.46Å
400K89.7Confident82.2Confident140 Ų14053.2 Ų53.261%0.60925%0.251SS*.Hα-helixtrans-62.1-36.3178.9-170.9175.1-176.3176.80111.3K396 P397 L398 K404K396-K400 PolarHBondContact O-N 3.18Å; K396-K400 VanDerWaalsContact O-N 3.14Å; P397-K400 PolarHBondContact O-N 3.2Å; L398-K400 VanDerWaalsContact C-N 3.33Å; L398-K400 PolarHBondContact O-N 2.91Å; K400-K404 WeakPolarHBondContact O-CB 3.47Å; K400-K404 VanDerWaalsContact O-CG 3.29Å; K400-K404 WeakPolarHBondContact O-CG 3.49Å; K400-K404 PolarHBondContact O-N 2.85Å; K400-K404 VanDerWaalsContact O-N 3.08Å
401H89.5Confident83.4Confident19 Ų1951.4 Ų51.49%0.08824%0.244CC..Hα-helixtrans-65.7-53.3174.5178.162.3000112.6P397 L398 K399 Y403 K404 C405 L662 N664 Y665P397-H401 WeakPolarHBondContact O-CB 3.36Å; P397-H401 PolarHBondContact O-N 3.34Å; L398-H401 WeakPolarHBondContact O-CB 3.42Å; L398-H401 PolarHBondContact O-N 2.86Å; K399-H401 VanDerWaalsContact C-N 3.26Å; K399-H401 PolarHBondContact O-N 3.21Å; H401-Y403 VanDerWaalsContact C-N 3.31Å; H401-Y403 PolarHBondContact O-N 3.09Å; H401-K404 CarbonylContact O-C 3.59Å; H401-K404 WeakPolarHBondContact O-CA 3.15Å; H401-K404 WeakPolarHBondContact O-CB 3.46Å; H401-K404 PolarHBondContact O-N 2.91Å; H401-K404 VanDerWaalsContact O-N 3.1Å; H401-C405 PolarHBondContact CE1-SG 3.43Å; H401-C405 PolarHBondContact NE2-SG 3.25Å; H401-C405 VanDerWaalsContact NE2-SG 3.39Å; H401-C405 PolarHBondContact O-N 3.01Å; H401-C405 PolarHBondContact O-SG 3.02Å; H401-L662 PolarHBondContact NE2-O 2.99Å; H401-N664 PolarHBondContact CE1-O 3.01Å; H401-N664 VanDerWaalsContact CE1-O 3.3Å; H401-Y665 HydrophobicContact CB-CD2 3.49Å; H401-Y665 VanDerWaalsContact CB-CD2 3.49Å; H401-Y665 HydrophobicContact CB-CE2 3.65Å; H401-Y665 HydrophobicContact CB-CG 4.43Å; H401-Y665 AromaticContact CD2-CD2 3.8Å; H401-Y665 AromaticContact CD2-CG 3.96Å; H401-Y665 AromaticContact CG-CD2 3.34Å; H401-Y665 AromaticContact CG-CG 3.97Å; H401-Y665 AromaticContact ND1-CD2 3.65Å
402F91.6Very high84.7Confident4 Ų453.5 Ų53.52%0.01825%0.254CS..Hα-helixtrans-60.3-39.4177.9-71.8-20.1000112.9L53 T379 L382 L398 K399 C405 A406 P483 L487 L662L53-F402 HydrophobicContact CD2-CD2 3.78Å; L53-F402 HydrophobicContact CD2-CE2 3.7Å; T379-F402 HydrophobicContact CG2-CE2 4.03Å; T379-F402 HydrophobicContact CG2-CZ 4.09Å; T379-F402 VanDerWaalsContact OG1-CZ 3.29Å; T379-F402 WeakPolarHBondContact OG1-CZ 3.4Å; L382-F402 HydrophobicContact CD1-CE1 3.67Å; L382-F402 HydrophobicContact CD1-CZ 4Å; L398-F402 HydrophobicContact CD1-CD1 4.4Å; L398-F402 HydrophobicContact CD1-CE1 3.93Å; L398-F402 HydrophobicContact CD1-CE2 4.22Å; L398-F402 HydrophobicContact CD1-CZ 3.82Å; L398-F402 HydrophobicContact CD2-CE2 4.26Å; L398-F402 HydrophobicContact CD2-CZ 4.33Å; L398-F402 HydrophobicContact CG-CD2 4.36Å; L398-F402 HydrophobicContact CG-CE2 3.97Å; L398-F402 HydrophobicContact CG-CZ 4.07Å; L398-F402 PolarHBondContact O-N 3.27Å; K399-F402 PolarHBondContact O-N 2.81Å; F402-C405 PolarHBondContact O-N 2.99Å; F402-A406 WeakPolarHBondContact O-CB 3.47Å; F402-A406 PolarHBondContact O-N 3.1Å; F402-P483 HydrophobicContact CD2-CB 4.28Å; F402-P483 HydrophobicContact CE2-CB 3.94Å; F402-P483 HydrophobicContact CE2-CG 4.25Å; F402-L487 HydrophobicContact CB-CD1 4.49Å; F402-L487 HydrophobicContact CB-CD2 4.07Å; F402-L487 HydrophobicContact CD1-CD2 4.15Å; F402-L487 HydrophobicContact CD2-CD2 4.18Å; F402-L487 HydrophobicContact CG-CD2 3.89Å; F402-L662 HydrophobicContact CD1-CD2 4.1Å; F402-L662 HydrophobicContact CE1-CD2 4.25Å
403Y91.1Very high85.6Confident74 Ų7450.7 Ų50.729%0.2924%0.239SC..Hα-helixtrans-62.2-43.5173.8-171.4-98.9000112.1Y45 K399 H401 A406 Q407 Y486Y45-Y403 HydrophobicContact CE2-CE2 4.19Å; K399-Y403 WeakPolarHBondContact O-CB 3.23Å; K399-Y403 PolarHBondContact O-N 3.46Å; H401-Y403 VanDerWaalsContact C-N 3.31Å; H401-Y403 PolarHBondContact O-N 3.09Å; Y403-A406 PolarHBondContact O-N 3.44Å; Y403-Q407 VanDerWaalsContact CE1-CD 3.46Å; Y403-Q407 HydrophobicContact CE1-CG 4.24Å; Y403-Q407 WeakPolarHBondContact O-CG 3.41Å; Y403-Q407 PolarHBondContact O-N 3.35Å; Y403-Q407 VanDerWaalsContact O-N 3.09Å; Y403-Q407 PolarHBondContact OH-NE2 3.25Å; Y403-Y486 AromaticContact CD2-CD1 3.82Å; Y403-Y486 HydrophobicContact CD2-CD1 3.82Å; Y403-Y486 AromaticContact CD2-CE1 3.49Å; Y403-Y486 HydrophobicContact CD2-CE1 3.49Å; Y403-Y486 VanDerWaalsContact CD2-CE1 3.49Å; Y403-Y486 HydrophobicContact CE2-CD1 4.1Å; Y403-Y486 AromaticContact CE2-CE1 3.56Å; Y403-Y486 HydrophobicContact CE2-CE1 3.56Å; Y403-Y486 HydrophobicContact CG-CE1 4.44Å
404K91.8Very high86.3Confident120 Ų12054.4 Ų54.452%0.52225%0.25SS..Hα-helixtrans-61.9-42.3172.4-78.4177.3170.2-164.70112.4K400 H401 Q407 H408K400-K404 WeakPolarHBondContact O-CB 3.47Å; K400-K404 VanDerWaalsContact O-CG 3.29Å; K400-K404 WeakPolarHBondContact O-CG 3.49Å; K400-K404 PolarHBondContact O-N 2.85Å; K400-K404 VanDerWaalsContact O-N 3.08Å; H401-K404 CarbonylContact O-C 3.59Å; H401-K404 WeakPolarHBondContact O-CA 3.15Å; H401-K404 WeakPolarHBondContact O-CB 3.46Å; H401-K404 PolarHBondContact O-N 2.91Å; H401-K404 VanDerWaalsContact O-N 3.1Å; K404-Q407 PolarHBondContact O-N 3.39Å; K404-H408 VanDerWaalsContact O-CB 3.24Å; K404-H408 WeakPolarHBondContact O-CB 3.32Å; K404-H408 PolarHBondContact O-N 3.41Å
405C90.7Very high86.4Confident5 Ų560.4 Ų60.43%0.03428%0.279CS..Hα-helixtrans-61.2-46.5177.5-68.40000111.2H401 F402 Q407 H408 L409 T661 L662H401-C405 PolarHBondContact CE1-SG 3.43Å; H401-C405 PolarHBondContact NE2-SG 3.25Å; H401-C405 VanDerWaalsContact NE2-SG 3.39Å; H401-C405 PolarHBondContact O-N 3.01Å; H401-C405 PolarHBondContact O-SG 3.02Å; F402-C405 PolarHBondContact O-N 2.99Å; C405-Q407 VanDerWaalsContact C-N 3.35Å; C405-Q407 PolarHBondContact O-N 3.02Å; C405-H408 PolarHBondContact O-N 3.12Å; C405-L409 WeakPolarHBondContact O-CB 3.46Å; C405-L409 VanDerWaalsContact O-CG 3.28Å; C405-L409 WeakPolarHBondContact O-CG 3.4Å; C405-L409 PolarHBondContact O-N 2.63Å; C405-T661 HydrophobicContact CB-CG2 4.15Å; C405-L662 HydrophobicContact CB-CD2 4.14Å
406A90.4Very high86.1Confident0 Ų063.2 Ų63.20%030%0.299CS..Hα-helixtrans-58.1-45176.200000112F402 Y403 I410 Y486 L487 Q490F402-A406 WeakPolarHBondContact O-CB 3.47Å; F402-A406 PolarHBondContact O-N 3.1Å; Y403-A406 PolarHBondContact O-N 3.44Å; A406-I410 WeakPolarHBondContact O-CB 3.49Å; A406-I410 VanDerWaalsContact O-CG1 3.24Å; A406-I410 WeakPolarHBondContact O-CG1 3.31Å; A406-I410 PolarHBondContact O-N 3.06Å; A406-Y486 HydrophobicContact CB-CD1 4.09Å; A406-Y486 HydrophobicContact CB-CE1 3.53Å; A406-L487 HydrophobicContact CB-CD1 3.92Å; A406-Q490 HydrophobicContact CB-CB 4.03Å; A406-Q490 HydrophobicContact CB-CG 3.85Å
407Q90.5Very high84.9Confident83 Ų8358.5 Ų58.539%0.38829%0.287SS..Hα-helixtrans-66.9-41.2175.4-70.6-175.1-34.100113Y403 K404 C405 T411Y403-Q407 VanDerWaalsContact CE1-CD 3.46Å; Y403-Q407 HydrophobicContact CE1-CG 4.24Å; Y403-Q407 WeakPolarHBondContact O-CG 3.41Å; Y403-Q407 PolarHBondContact O-N 3.35Å; Y403-Q407 VanDerWaalsContact O-N 3.09Å; Y403-Q407 PolarHBondContact OH-NE2 3.25Å; K404-Q407 PolarHBondContact O-N 3.39Å; C405-Q407 VanDerWaalsContact C-N 3.35Å; C405-Q407 PolarHBondContact O-N 3.02Å; Q407-T411 WeakPolarHBondContact O-CB 3.45Å; Q407-T411 PolarHBondContact O-N 3.48Å; Q407-T411 PolarHBondContact O-OG1 2.88Å
408H89.6Confident83.4Confident101 Ų10159.7 Ų59.747%0.46831%0.307SS..Hα-helixtrans-65.9-50.4-179.8178.971.2000111.3K404 C405 I410 T411 Q412K404-H408 VanDerWaalsContact O-CB 3.24Å; K404-H408 WeakPolarHBondContact O-CB 3.32Å; K404-H408 PolarHBondContact O-N 3.41Å; C405-H408 PolarHBondContact O-N 3.12Å; H408-I410 VanDerWaalsContact C-N 3.31Å; H408-I410 PolarHBondContact O-N 3.05Å; H408-T411 PolarHBondContact O-N 3.37Å; H408-Q412 WeakPolarHBondContact O-CB 3.5Å; H408-Q412 PolarHBondContact O-N 3Å
409L88.8Confident81.7Confident1 Ų170.6 Ų70.61%0.00535%0.35CS..Hα-helixtrans-57.5-43.4177.8-71.2169.9000111.3C405 T411 F413 I491 V657 I658 T661C405-L409 WeakPolarHBondContact O-CB 3.46Å; C405-L409 VanDerWaalsContact O-CG 3.28Å; C405-L409 WeakPolarHBondContact O-CG 3.4Å; C405-L409 PolarHBondContact O-N 2.63Å; L409-T411 PolarHBondContact O-N 3.44Å; L409-F413 WeakPolarHBondContact O-CB 3.29Å; L409-F413 PolarHBondContact O-N 3.06Å; L409-I491 HydrophobicContact CD1-CD1 4.26Å; L409-I491 HydrophobicContact CD1-CG1 3.88Å; L409-V657 HydrophobicContact CD2-CG1 3.91Å; L409-I658 HydrophobicContact CD1-CG1 4.47Å; L409-I658 HydrophobicContact CD2-CG1 4.41Å; L409-T661 HydrophobicContact CD1-CG2 4.44Å; L409-T661 HydrophobicContact CD2-CG2 4.03Å; L409-T661 HydrophobicContact CG-CG2 4.02Å
410I85.9Confident80.2Confident11 Ų1169.8 Ų69.86%0.05635%0.349CS..Hα-helixtrans-66.5-36.1176.2-68.7-68.9000112.4A406 H408 K414 Q490 F493A406-I410 WeakPolarHBondContact O-CB 3.49Å; A406-I410 VanDerWaalsContact O-CG1 3.24Å; A406-I410 WeakPolarHBondContact O-CG1 3.31Å; A406-I410 PolarHBondContact O-N 3.06Å; H408-I410 VanDerWaalsContact C-N 3.31Å; H408-I410 PolarHBondContact O-N 3.05Å; I410-K414 HydrophobicContact CG2-CD 4.14Å; I410-K414 WeakPolarHBondContact O-CB 3.43Å; I410-K414 WeakPolarHBondContact O-CD 3.48Å; I410-K414 VanDerWaalsContact O-CG 3.25Å; I410-K414 WeakPolarHBondContact O-CG 3.39Å; I410-K414 PolarHBondContact O-N 3.36Å; I410-Q490 HydrophobicContact CD1-CB 4.12Å; I410-Q490 HydrophobicContact CG1-CB 3.86Å; I410-Q490 HydrophobicContact CG1-CG 4.11Å; I410-F493 HydrophobicContact CD1-CD1 3.54Å; I410-F493 HydrophobicContact CD1-CE1 4.12Å; I410-F493 HydrophobicContact CD1-CG 4.38Å
411T86.2Confident78.6Confident71 Ų7165.5 Ų65.544%0.43633%0.33SS..Hα-helixtrans-69.6-50.5177.7-59.10000111Q407 H408 L409 F413 K414 Q415Q407-T411 WeakPolarHBondContact O-CB 3.45Å; Q407-T411 PolarHBondContact O-N 3.48Å; Q407-T411 PolarHBondContact O-OG1 2.88Å; H408-T411 PolarHBondContact O-N 3.37Å; L409-T411 PolarHBondContact O-N 3.44Å; T411-F413 VanDerWaalsContact C-N 3.34Å; T411-F413 PolarHBondContact O-N 2.9Å; T411-K414 PolarHBondContact O-N 3.29Å; T411-Q415 WeakPolarHBondContact O-CG 3.33Å; T411-Q415 PolarHBondContact O-N 3.43Å
412Q84.4Confident76.7Confident62 Ų6272.1 Ų72.129%0.2936%0.358SS..Hα-helixtrans-57.9-47.1175.4-175.2-1757.200110.7H408 K414 Q415 S416H408-Q412 WeakPolarHBondContact O-CB 3.5Å; H408-Q412 PolarHBondContact O-N 3Å; Q412-K414 PolarHBondContact O-N 3.36Å; Q412-Q415 WeakPolarHBondContact O-CB 3.35Å; Q412-Q415 PolarHBondContact O-N 2.87Å; Q412-Q415 VanDerWaalsContact O-N 3.07Å; Q412-S416 PolarHBondContact O-N 3.1Å; Q412-S416 PolarHBondContact O-OG 3.15Å; Q412-S416 VanDerWaalsContact O-OG 3.09Å
413F81Confident74.3Confident5 Ų575.4 Ų75.42%0.02238%0.379CS..Hα-helixtrans-59.4-43.7177.6-173.6-100.7000112.1L409 T411 Q415 S416 Y421 F493 C494 I498L409-F413 WeakPolarHBondContact O-CB 3.29Å; L409-F413 PolarHBondContact O-N 3.06Å; T411-F413 VanDerWaalsContact C-N 3.34Å; T411-F413 PolarHBondContact O-N 2.9Å; F413-Q415 VanDerWaalsContact C-N 3.31Å; F413-Q415 PolarHBondContact O-N 3.26Å; F413-S416 PolarHBondContact O-N 2.95Å; F413-Y421 AromaticContact CE1-CE1 3.59Å; F413-Y421 HydrophobicContact CE1-CE1 3.59Å; F413-Y421 AromaticContact CE1-CZ 3.85Å; F413-Y421 VanDerWaalsContact CE1-OH 3.28Å; F413-Y421 WeakPolarHBondContact CE1-OH 3.26Å; F413-Y421 HydrophobicContact CE2-CE1 4.36Å; F413-Y421 WeakPolarHBondContact CE2-OH 3.2Å; F413-Y421 HydrophobicContact CZ-CD1 4.49Å; F413-Y421 AromaticContact CZ-CE1 3.4Å; F413-Y421 HydrophobicContact CZ-CE1 3.4Å; F413-Y421 VanDerWaalsContact CZ-CE1 3.4Å; F413-Y421 AromaticContact CZ-CZ 3.54Å; F413-Y421 WeakPolarHBondContact CZ-OH 3.39Å; F413-Y421 PolarHBondContact O-OH 3.09Å; F413-F493 HydrophobicContact CD1-CE1 4.14Å; F413-F493 HydrophobicContact CE1-CE1 4.14Å; F413-C494 HydrophobicContact CD2-CB 4.18Å; F413-C494 HydrophobicContact CG-CB 4.37Å; F413-I498 HydrophobicContact CE2-CG1 4.46Å
414K79.4Confident72.1Confident118 Ų11882.6 Ų82.651%0.51341%0.412SS..Hα-helixtrans-65.1-31.5174.7-76.4170.1176.3177.90113.3I410 T411 Q412 S417I410-K414 HydrophobicContact CG2-CD 4.14Å; I410-K414 WeakPolarHBondContact O-CB 3.43Å; I410-K414 WeakPolarHBondContact O-CD 3.48Å; I410-K414 VanDerWaalsContact O-CG 3.25Å; I410-K414 WeakPolarHBondContact O-CG 3.39Å; I410-K414 PolarHBondContact O-N 3.36Å; T411-K414 PolarHBondContact O-N 3.29Å; Q412-K414 PolarHBondContact O-N 3.36Å; K414-S417 VanDerWaalsContact O-CB 3.24Å; K414-S417 WeakPolarHBondContact O-CB 3.43Å; K414-S417 PolarHBondContact O-OG 2.93Å
415Q76.1Confident70Confident145 Ų14584.8 Ų84.868%0.67842%0.421SS*.Hα-helixtrans-75.6-36.7177-72.6169.6-18.700112.2T411 Q412 F413 S417T411-Q415 WeakPolarHBondContact O-CG 3.33Å; T411-Q415 PolarHBondContact O-N 3.43Å; Q412-Q415 WeakPolarHBondContact O-CB 3.35Å; Q412-Q415 PolarHBondContact O-N 2.87Å; Q412-Q415 VanDerWaalsContact O-N 3.07Å; F413-Q415 VanDerWaalsContact C-N 3.31Å; F413-Q415 PolarHBondContact O-N 3.26Å; Q415-S417 PolarHBondContact O-N 2.87Å
416S69.9Low68.3Low62 Ų6289.9 Ų89.943%0.43445%0.452SS..THydrogen-bonded Turntrans-74.622.7177.5-56.50000114.1Q412 F413 G418Q412-S416 PolarHBondContact O-N 3.1Å; Q412-S416 PolarHBondContact O-OG 3.15Å; Q412-S416 VanDerWaalsContact O-OG 3.09Å; F413-S416 PolarHBondContact O-N 2.95Å; S416-G418 PolarHBondContact O-N 2.94Å
417S58.1Low66.9Low74 Ų7493 Ų9352%0.51747%0.471SS..THydrogen-bonded Turntrans-70.63.2-161.6380000116.6K414 Q415 Y421K414-S417 VanDerWaalsContact O-CB 3.24Å; K414-S417 WeakPolarHBondContact O-CB 3.43Å; K414-S417 PolarHBondContact O-OG 2.93Å; Q415-S417 PolarHBondContact O-N 2.87Å; S417-Y421 WeakPolarHBondContact O-CD2 3.44Å
418G54.1Low65.7Low66 Ų6694.6 Ų94.668%0.6848%0.478SS*.THydrogen-bonded Turntrans-82.6-42-171.100000116.8S416S416-G418 PolarHBondContact O-N 2.94Å
419Y50.3Low65.3Low232 Ų23290.8 Ų90.891%0.9146%0.461SS*.SBendtrans-122.1-10.7-160-82.3-84.5000117
420L55.3Low65.1Low73 Ų7392.9 Ų92.938%0.38247%0.474SS..SBendtrans-106.49.2-168.7-72.9164.9000115.6
421Y56.7Low65.3Low49 Ų4992.5 Ų92.519%0.19247%0.472CS..BIsolated β-bridgetrans-111.5136-160.7-64-93.2000115.3F413 S417 T423 V427F413-Y421 AromaticContact CE1-CE1 3.59Å; F413-Y421 HydrophobicContact CE1-CE1 3.59Å; F413-Y421 AromaticContact CE1-CZ 3.85Å; F413-Y421 VanDerWaalsContact CE1-OH 3.28Å; F413-Y421 WeakPolarHBondContact CE1-OH 3.26Å; F413-Y421 HydrophobicContact CE2-CE1 4.36Å; F413-Y421 WeakPolarHBondContact CE2-OH 3.2Å; F413-Y421 HydrophobicContact CZ-CD1 4.49Å; F413-Y421 AromaticContact CZ-CE1 3.4Å; F413-Y421 HydrophobicContact CZ-CE1 3.4Å; F413-Y421 VanDerWaalsContact CZ-CE1 3.4Å; F413-Y421 AromaticContact CZ-CZ 3.54Å; F413-Y421 WeakPolarHBondContact CZ-OH 3.39Å; F413-Y421 PolarHBondContact O-OH 3.09Å; S417-Y421 WeakPolarHBondContact O-CD2 3.44Å; Y421-T423 PolarHBondContact O-N 3.39Å; Y421-V427 HydrophobicContact CD1-CG2 4.3Å
422K48.8Very low65.4Low158 Ų15891.7 Ų91.769%0.68747%0.465SS*.SBendtrans-61.3-17.5170.1-106.3179.4177.4175.50115.2
423T41.6Very low65.7Low73 Ų7391.4 Ų91.445%0.44847%0.465SS..  trans-153.2141.4-174.255.70000113.2Y421 K425Y421-T423 PolarHBondContact O-N 3.39Å; T423-K425 PolarHBondContact O-N 3.36Å
424K45.3Very low66Low226 Ų22697.4 Ų97.498%0.98349%0.488SS*.SBendtrans-67.423.8163.9-64.4-174.2175.8-178.40114.1
425K48.2Very low66.4Low166 Ų16691.9 Ų91.972%0.72246%0.464SS*.SBendtrans-102.9140.3-178.4-72.7-176.6175.9177.30109.8T423 V427T423-K425 PolarHBondContact O-N 3.36Å; K425-V427 PolarHBondContact O-N 3.33Å
426T54.7Low67.1Low112 Ų11285.4 Ų85.469%0.68744%0.435SS*.  trans-59.3105.1175.546.40000110.4H428T426-H428 PolarHBondContact O-CD2 3.45Å; T426-H428 PolarHBondContact O-N 2.9Å; T426-H428 PolarHBondContact OG1-NE2 2.97Å; T426-H428 VanDerWaalsContact OG1-NE2 3.17Å
427V60.2Low68.1Low64 Ų6487.5 Ų87.539%0.38844%0.437SS..  trans-7597.7177.3-167.10000108.5Y421 K425 N429 F493Y421-V427 HydrophobicContact CD1-CG2 4.3Å; K425-V427 PolarHBondContact O-N 3.33Å; V427-N429 PolarHBondContact O-N 3.19Å; V427-F493 HydrophobicContact CB-CZ 4.33Å; V427-F493 HydrophobicContact CG1-CE2 3.71Å; V427-F493 HydrophobicContact CG1-CZ 3.55Å
428H66Low69.6Low117 Ų11785.3 Ų85.354%0.54242%0.418SS..  trans-72118.3175-61.7-85.1000109.2T426 T430T426-H428 PolarHBondContact O-CD2 3.45Å; T426-H428 PolarHBondContact O-N 2.9Å; T426-H428 PolarHBondContact OG1-NE2 2.97Å; T426-H428 VanDerWaalsContact OG1-NE2 3.17Å; H428-T430 HydrophobicContact CB-CG2 4.02Å; H428-T430 PolarHBondContact O-N 2.95Å
429N79.8Confident71.5Confident22 Ų2282.3 Ų82.312%0.11839%0.386CS..  trans-71.196.1166.7-179.42000108.2P114 V427 H489 Q490 F493P114-N429 WeakPolarHBondContact CD-O 3.41Å; P114-N429 VanDerWaalsContact CG-OD1 3.23Å; P114-N429 WeakPolarHBondContact CG-OD1 3.18Å; V427-N429 PolarHBondContact O-N 3.19Å; N429-H489 PolarHBondContact OD1-NE2 3.44Å; N429-Q490 PolarHBondContact ND2-OE1 2.89Å; N429-F493 HydrophobicContact CB-CE1 4.11Å; N429-F493 HydrophobicContact CB-CE2 4.09Å; N429-F493 HydrophobicContact CB-CZ 3.81Å
430T85.8Confident73.5Confident45 Ų4571.6 Ų71.628%0.27635%0.346SS..  trans-114.8164.7175.354.60000109.9K111 H428 D432 H489K111-T430 HydrophobicContact CB-CG2 4.22Å; H428-T430 HydrophobicContact CB-CG2 4.02Å; H428-T430 PolarHBondContact O-N 2.95Å; T430-D432 PolarHBondContact O-N 2.83Å; T430-D432 VanDerWaalsContact O-N 3.13Å; T430-H489 PolarHBondContact O-NE2 3.14Å
431L89.7Confident75.3Confident3 Ų370.5 Ų70.52%0.01634%0.339CS..  trans-63.9111.6177.4-165.561.1000110.9Q47 F48 L103 I107 P114 Y119 I436Q47-L431 HydrophobicContact CB-CD2 4.26Å; Q47-L431 HydrophobicContact CG-CD1 4.34Å; Q47-L431 HydrophobicContact CG-CD2 4.09Å; F48-L431 HydrophobicContact CD1-CD1 3.8Å; F48-L431 HydrophobicContact CE1-CD1 3.22Å; F48-L431 HydrophobicContact CZ-CD1 3.69Å; L103-L431 HydrophobicContact CD1-CD2 4.23Å; I107-L431 HydrophobicContact CD1-CB 4.22Å; I107-L431 HydrophobicContact CD1-CD2 3.64Å; I107-L431 HydrophobicContact CD1-CG 4.03Å; I107-L431 HydrophobicContact CG1-CB 4.32Å; I107-L431 HydrophobicContact CG1-CD2 4.09Å; P114-L431 HydrophobicContact CB-CB 4.38Å; P114-L431 HydrophobicContact CB-CD1 4Å; Y119-L431 HydrophobicContact CD1-CD2 4.45Å; Y119-L431 HydrophobicContact CD2-CB 4.08Å; Y119-L431 HydrophobicContact CD2-CD2 3.63Å; Y119-L431 HydrophobicContact CD2-CG 4.46Å; Y119-L431 HydrophobicContact CE2-CB 3.93Å; Y119-L431 HydrophobicContact CE2-CD2 4.26Å; Y119-L431 HydrophobicContact CG-CD2 3.73Å; L431-I436 HydrophobicContact CD1-CD1 3.43Å; L431-I436 VanDerWaalsContact CD1-CD1 3.43Å; L431-I436 HydrophobicContact CG-CD1 3.8Å
432D88.7Confident77.1Confident54 Ų5468.2 Ų68.229%0.28933%0.33SS..  trans-96104.7179.3-179.311.6000111.5T430 Y434 N435 I436T430-D432 PolarHBondContact O-N 2.83Å; T430-D432 VanDerWaalsContact O-N 3.13Å; D432-Y434 VanDerWaalsContact C-N 3.28Å; D432-Y434 PolarHBondContact O-N 3.3Å; D432-Y434 VanDerWaalsContact OD1-CB 3.31Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.46Å; D432-Y434 PolarHBondContact OD1-N 3.05Å; D432-N435 HydrophobicContact CB-CB 4Å; D432-N435 PolarHBondContact O-N 3.43Å; D432-N435 WeakPolarHBondContact OD2-CB 3.43Å; D432-I436 WeakPolarHBondContact O-CD1 3.31Å; D432-I436 WeakPolarHBondContact O-CG1 3.48Å; D432-I436 PolarHBondContact O-N 2.77Å
433I89.4Confident79.3Confident55 Ų5560.7 Ų60.728%0.28230%0.297SS..Hα-helixtrans-65.6-28.8177.7-67.2-59.7000112.8L103 L104 I107 I436 H437L103-I433 HydrophobicContact CD2-CD1 4.42Å; L104-I433 HydrophobicContact CD2-CB 4.44Å; L104-I433 HydrophobicContact CD2-CG1 4Å; L104-I433 HydrophobicContact CD2-CG2 3.99Å; I107-I433 HydrophobicContact CD1-CD1 3.46Å; I107-I433 VanDerWaalsContact CD1-CD1 3.46Å; I107-I433 HydrophobicContact CD1-CG1 3.47Å; I107-I433 VanDerWaalsContact CD1-CG1 3.47Å; I433-I436 HydrophobicContact CD1-CD1 4.28Å; I433-I436 PolarHBondContact O-N 2.88Å; I433-H437 WeakPolarHBondContact O-CB 3.45Å; I433-H437 PolarHBondContact O-N 3.45Å
434Y87.4Confident81.7Confident131 Ų13161.8 Ų61.851%0.51430%0.299SS..Hα-helixtrans-65.5-50.5177.8-176.7-98.8000110D432 I436 H437 Y438D432-Y434 VanDerWaalsContact C-N 3.28Å; D432-Y434 PolarHBondContact O-N 3.3Å; D432-Y434 VanDerWaalsContact OD1-CB 3.31Å; D432-Y434 WeakPolarHBondContact OD1-CB 3.46Å; D432-Y434 PolarHBondContact OD1-N 3.05Å; Y434-I436 PolarHBondContact O-N 2.99Å; Y434-H437 PolarHBondContact O-N 2.96Å; Y434-Y438 HydrophobicContact CD1-CD2 4.09Å; Y434-Y438 AromaticContact CD1-CE2 3.98Å; Y434-Y438 HydrophobicContact CD1-CE2 3.98Å; Y434-Y438 HydrophobicContact CD2-CD2 4.45Å; Y434-Y438 HydrophobicContact CD2-CE2 4.04Å; Y434-Y438 HydrophobicContact CE1-CD2 4.02Å; Y434-Y438 HydrophobicContact CE1-CE1 4.26Å; Y434-Y438 AromaticContact CE1-CE2 3.49Å; Y434-Y438 HydrophobicContact CE1-CE2 3.49Å; Y434-Y438 VanDerWaalsContact CE1-CE2 3.49Å; Y434-Y438 AromaticContact CE1-CZ 3.62Å; Y434-Y438 HydrophobicContact CE2-CD2 4.39Å; Y434-Y438 AromaticContact CE2-CE2 3.55Å; Y434-Y438 HydrophobicContact CE2-CE2 3.55Å; Y434-Y438 HydrophobicContact CG-CD2 4.34Å; Y434-Y438 HydrophobicContact CG-CE2 4.26Å; Y434-Y438 AromaticContact CZ-CE2 3.29Å; Y434-Y438 AromaticContact CZ-CZ 3.45Å; Y434-Y438 VanDerWaalsContact CZ-CZ 3.45Å; Y434-Y438 VanDerWaalsContact O-CD2 3.24Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.41Å; Y434-Y438 PolarHBondContact O-N 3.49Å; Y434-Y438 PolarHBondContact OH-OH 2.88Å
435N89.4Confident84Confident2 Ų252.5 Ų52.51%0.01126%0.26CS..Hα-helixtrans-56.7-47.1173-177.416.5000112.8D432 H437 Y438 Y439 F488 H489 Y492D432-N435 HydrophobicContact CB-CB 4Å; D432-N435 PolarHBondContact O-N 3.43Å; D432-N435 WeakPolarHBondContact OD2-CB 3.43Å; N435-H437 VanDerWaalsContact C-N 3.35Å; N435-H437 PolarHBondContact O-N 3.26Å; N435-Y438 WeakPolarHBondContact O-CB 3.22Å; N435-Y438 PolarHBondContact O-N 3.43Å; N435-Y439 PolarHBondContact O-N 2.93Å; N435-F488 VanDerWaalsContact OD1-CE1 3.24Å; N435-F488 WeakPolarHBondContact OD1-CE1 3.35Å; N435-H489 WeakPolarHBondContact ND2-CA 3.34Å; N435-H489 PolarHBondContact ND2-CD2 3.05Å; N435-Y492 HydrophobicContact CB-CD1 3.85Å; N435-Y492 HydrophobicContact CB-CE1 3.84Å; N435-Y492 WeakPolarHBondContact ND2-CD1 3.43Å
436I91Very high86.1Confident10 Ų1044.6 Ų44.65%0.05123%0.226CC..Hα-helixtrans-63-41177.4-69159.6000111.6Q47 F48 N49 L431 D432 I433 Y434 Y438 Y439 G440Q47-I436 VanDerWaalsContact O-CD1 3.32Å; Q47-I436 WeakPolarHBondContact O-CD1 3.29Å; F48-I436 HydrophobicContact CD1-CD1 4.08Å; F48-I436 HydrophobicContact CD1-CG1 4.32Å; N49-I436 HydrophobicContact CB-CG2 4.33Å; N49-I436 WeakPolarHBondContact ND2-CG2 3.43Å; N49-I436 PolarHBondContact ND2-O 3.08Å; L431-I436 HydrophobicContact CD1-CD1 3.43Å; L431-I436 VanDerWaalsContact CD1-CD1 3.43Å; L431-I436 HydrophobicContact CG-CD1 3.8Å; D432-I436 WeakPolarHBondContact O-CD1 3.31Å; D432-I436 WeakPolarHBondContact O-CG1 3.48Å; D432-I436 PolarHBondContact O-N 2.77Å; I433-I436 HydrophobicContact CD1-CD1 4.28Å; I433-I436 PolarHBondContact O-N 2.88Å; Y434-I436 PolarHBondContact O-N 2.99Å; I436-Y438 VanDerWaalsContact C-N 3.34Å; I436-Y439 PolarHBondContact O-N 3.49Å; I436-G440 PolarHBondContact O-N 3.5Å
437H89.5Confident87.9Confident105 Ų10541.5 Ų41.549%0.48620%0.204SC..Hα-helixtrans-65-39.1175.9-173.364.1000111.6I433 Y434 N435 G440 Q441I433-H437 WeakPolarHBondContact O-CB 3.45Å; I433-H437 PolarHBondContact O-N 3.45Å; Y434-H437 PolarHBondContact O-N 2.96Å; N435-H437 VanDerWaalsContact C-N 3.35Å; N435-H437 PolarHBondContact O-N 3.26Å; H437-G440 CarbonylContact O-C 3.57Å; H437-G440 WeakPolarHBondContact O-CA 3.22Å; H437-G440 PolarHBondContact O-N 3.4Å; H437-Q441 PolarHBondContact CD2-NE2 2.96Å; H437-Q441 PolarHBondContact NE2-NE2 3.29Å; H437-Q441 WeakPolarHBondContact O-CG 3.25Å; H437-Q441 PolarHBondContact O-N 2.94Å
438Y90Very high89.4Confident28 Ų2842.5 Ų42.511%0.1121%0.21CC..Hα-helixtrans-60.8-45.3172.9-92.4-124.3000112.1R346 I368 Y434 N435 I436 G440 Q441 L442R346-Y438 WeakPolarHBondContact CD-OH 3.31Å; R346-Y438 VanDerWaalsContact CZ-CD1 3.42Å; R346-Y438 VanDerWaalsContact NE-CZ 3.26Å; R346-Y438 PolarHBondContact NE-OH 3.1Å; I368-Y438 HydrophobicContact CB-CD1 4.49Å; I368-Y438 HydrophobicContact CD1-CD1 3.32Å; I368-Y438 HydrophobicContact CD1-CE1 3.54Å; I368-Y438 HydrophobicContact CD1-CG 4.37Å; I368-Y438 HydrophobicContact CG1-CD1 3.61Å; I368-Y438 HydrophobicContact CG1-CE1 4.31Å; I368-Y438 HydrophobicContact CG1-CG 4.44Å; I368-Y438 HydrophobicContact CG2-CD1 4.45Å; Y434-Y438 HydrophobicContact CD1-CD2 4.09Å; Y434-Y438 AromaticContact CD1-CE2 3.98Å; Y434-Y438 HydrophobicContact CD1-CE2 3.98Å; Y434-Y438 HydrophobicContact CD2-CD2 4.45Å; Y434-Y438 HydrophobicContact CD2-CE2 4.04Å; Y434-Y438 HydrophobicContact CE1-CD2 4.02Å; Y434-Y438 HydrophobicContact CE1-CE1 4.26Å; Y434-Y438 AromaticContact CE1-CE2 3.49Å; Y434-Y438 HydrophobicContact CE1-CE2 3.49Å; Y434-Y438 VanDerWaalsContact CE1-CE2 3.49Å; Y434-Y438 AromaticContact CE1-CZ 3.62Å; Y434-Y438 HydrophobicContact CE2-CD2 4.39Å; Y434-Y438 AromaticContact CE2-CE2 3.55Å; Y434-Y438 HydrophobicContact CE2-CE2 3.55Å; Y434-Y438 HydrophobicContact CG-CD2 4.34Å; Y434-Y438 HydrophobicContact CG-CE2 4.26Å; Y434-Y438 AromaticContact CZ-CE2 3.29Å; Y434-Y438 AromaticContact CZ-CZ 3.45Å; Y434-Y438 VanDerWaalsContact CZ-CZ 3.45Å; Y434-Y438 VanDerWaalsContact O-CD2 3.24Å; Y434-Y438 WeakPolarHBondContact O-CD2 3.41Å; Y434-Y438 PolarHBondContact O-N 3.49Å; Y434-Y438 PolarHBondContact OH-OH 2.88Å; N435-Y438 WeakPolarHBondContact O-CB 3.22Å; N435-Y438 PolarHBondContact O-N 3.43Å; I436-Y438 VanDerWaalsContact C-N 3.34Å; Y438-G440 VanDerWaalsContact C-N 3.3Å; Y438-G440 PolarHBondContact O-N 3.1Å; Y438-Q441 PolarHBondContact O-N 3.42Å; Y438-Q441 VanDerWaalsContact O-N 3.14Å; Y438-L442 PolarHBondContact O-N 3.25Å; Y438-L442 VanDerWaalsContact O-N 3.1Å
439Y93.8Very high90.6Very high4 Ų437.3 Ų37.32%0.01619%0.187CC..Hα-helixtrans-60.4-41.6173.2-171.3-122000111.2F48 N49 N435 I436 Q441 L442 Q443 F482 F488F48-Y439 WeakPolarHBondContact O-CD1 3.3Å; N49-Y439 HydrophobicContact CB-CD1 4.18Å; N435-Y439 PolarHBondContact O-N 2.93Å; I436-Y439 PolarHBondContact O-N 3.49Å; Y439-Q441 VanDerWaalsContact C-N 3.33Å; Y439-Q441 PolarHBondContact O-N 3.33Å; Y439-L442 PolarHBondContact O-N 3.34Å; Y439-Q443 VanDerWaalsContact CD1-NE2 3.27Å; Y439-Q443 VanDerWaalsContact O-CG 3.3Å; Y439-Q443 WeakPolarHBondContact O-CG 3.3Å; Y439-Q443 PolarHBondContact O-N 3.4Å; Y439-Q443 VanDerWaalsContact O-N 3.1Å; Y439-F482 HydrophobicContact CD2-CD1 4.4Å; Y439-F482 AromaticContact CE2-CD1 3.65Å; Y439-F482 HydrophobicContact CE2-CD1 3.65Å; Y439-F482 HydrophobicContact CE2-CE1 4.35Å; Y439-F482 AromaticContact CZ-CD1 3.9Å; Y439-F482 VanDerWaalsContact OH-C 3.28Å; Y439-F482 VanDerWaalsContact OH-CA 3.26Å; Y439-F482 WeakPolarHBondContact OH-CA 3.45Å; Y439-F482 WeakPolarHBondContact OH-CB 3.22Å; Y439-F482 PolarHBondContact OH-O 2.95Å; Y439-F488 HydrophobicContact CD2-CB 3.96Å; Y439-F488 AromaticContact CD2-CD1 3.61Å; Y439-F488 HydrophobicContact CD2-CD1 3.61Å; Y439-F488 AromaticContact CD2-CD2 3.42Å; Y439-F488 HydrophobicContact CD2-CD2 3.42Å; Y439-F488 VanDerWaalsContact CD2-CD2 3.42Å; Y439-F488 AromaticContact CD2-CE1 3.9Å; Y439-F488 HydrophobicContact CD2-CE1 3.9Å; Y439-F488 AromaticContact CD2-CE2 3.75Å; Y439-F488 HydrophobicContact CD2-CE2 3.75Å; Y439-F488 AromaticContact CD2-CG 3.37Å; Y439-F488 HydrophobicContact CD2-CG 3.37Å; Y439-F488 AromaticContact CD2-CZ 3.98Å; Y439-F488 HydrophobicContact CD2-CZ 3.98Å; Y439-F488 HydrophobicContact CE2-CB 3.83Å; Y439-F488 HydrophobicContact CE2-CD1 4.34Å; Y439-F488 AromaticContact CE2-CD2 3.56Å; Y439-F488 HydrophobicContact CE2-CD2 3.56Å; Y439-F488 HydrophobicContact CE2-CE2 4.21Å; Y439-F488 AromaticContact CE2-CG 3.65Å; Y439-F488 HydrophobicContact CE2-CG 3.65Å; Y439-F488 HydrophobicContact CG-CB 4.44Å; Y439-F488 AromaticContact CG-CD1 3.85Å; Y439-F488 HydrophobicContact CG-CD1 3.85Å; Y439-F488 HydrophobicContact CG-CD2 4.44Å; Y439-F488 HydrophobicContact CG-CE1 4.21Å; Y439-F488 AromaticContact CG-CG 4Å; Y439-F488 HydrophobicContact CG-CG 4Å
440G93.1Very high91.1Very high6 Ų637 Ų376%0.06219%0.185CC..Hα-helixtrans-62.7-33.3172.800000114.1I436 H437 Y438 Q443 I444I436-G440 PolarHBondContact O-N 3.5Å; H437-G440 CarbonylContact O-C 3.57Å; H437-G440 WeakPolarHBondContact O-CA 3.22Å; H437-G440 PolarHBondContact O-N 3.4Å; Y438-G440 VanDerWaalsContact C-N 3.3Å; Y438-G440 PolarHBondContact O-N 3.1Å; G440-Q443 WeakPolarHBondContact O-CB 3.43Å; G440-Q443 PolarHBondContact O-N 3.38Å; G440-I444 WeakPolarHBondContact O-CD1 3.36Å; G440-I444 VanDerWaalsContact O-CG1 3.3Å; G440-I444 WeakPolarHBondContact O-CG1 3.46Å; G440-I444 PolarHBondContact O-N 3.41Å
441Q92.1Very high91.3Very high51 Ų5138.2 Ų38.224%0.23819%0.192CC..Hα-helixtrans-69.7-41.2175.1-73.8179.8-7.500112R346 H437 Y438 Y439 Q443 I444 I445R346-Q441 VanDerWaalsContact CZ-OE1 3.29Å; R346-Q441 VanDerWaalsContact NE-OE1 3.11Å; H437-Q441 PolarHBondContact CD2-NE2 2.96Å; H437-Q441 PolarHBondContact NE2-NE2 3.29Å; H437-Q441 WeakPolarHBondContact O-CG 3.25Å; H437-Q441 PolarHBondContact O-N 2.94Å; Y438-Q441 PolarHBondContact O-N 3.42Å; Y438-Q441 VanDerWaalsContact O-N 3.14Å; Y439-Q441 VanDerWaalsContact C-N 3.33Å; Y439-Q441 PolarHBondContact O-N 3.33Å; Q441-Q443 VanDerWaalsContact C-N 3.28Å; Q441-Q443 PolarHBondContact O-N 2.81Å; Q441-I444 PolarHBondContact O-N 3.32Å; Q441-I445 WeakPolarHBondContact O-CG1 3.46Å; Q441-I445 PolarHBondContact O-N 3.01Å
442L93.9Very high91.3Very high0 Ų040.1 Ų40.10%020%0.202CC..Hα-helixtrans-57.3-43.5171.1-69.2164.8000111I338 T342 I368 F372 Y438 Y439 I445 Y446 F482 F488I338-L442 HydrophobicContact CG2-CB 4.26Å; I338-L442 HydrophobicContact CG2-CD2 3.83Å; T342-L442 HydrophobicContact CG2-CD2 3.9Å; T342-L442 HydrophobicContact CG2-CG 4.19Å; T342-L442 WeakPolarHBondContact OG1-CD2 3.44Å; I368-L442 HydrophobicContact CG2-CD1 4.04Å; F372-L442 HydrophobicContact CB-CD1 4.24Å; F372-L442 HydrophobicContact CD1-CD2 4.14Å; F372-L442 HydrophobicContact CD2-CD1 4.01Å; F372-L442 HydrophobicContact CE1-CD2 4.22Å; F372-L442 HydrophobicContact CG-CD1 4.01Å; F372-L442 HydrophobicContact CG-CD2 4.44Å; Y438-L442 PolarHBondContact O-N 3.25Å; Y438-L442 VanDerWaalsContact O-N 3.1Å; Y439-L442 PolarHBondContact O-N 3.34Å; L442-I445 PolarHBondContact O-N 2.98Å; L442-Y446 WeakPolarHBondContact O-CB 3.35Å; L442-Y446 PolarHBondContact O-N 2.95Å; L442-F482 HydrophobicContact CB-CE1 3.88Å; L442-F482 HydrophobicContact CB-CZ 4.26Å; L442-F488 HydrophobicContact CD1-CE2 4.15Å; L442-F488 HydrophobicContact CD1-CZ 4.05Å
443Q95.3Very high91.3Very high0 Ų037.8 Ų37.80%019%0.19CC..Hα-helixtrans-63.7-43.7177-68177.16.200112.7N49 Y52 P126 L127 Y439 G440 Q441 Y446 M447 F482N49-Q443 PolarHBondContact O-NE2 3.3Å; N49-Q443 PolarHBondContact O-OE1 2.87Å; Y52-Q443 PolarHBondContact OH-OE1 2.82Å; P126-Q443 HydrophobicContact CG-CB 4.35Å; L127-Q443 HydrophobicContact CD1-CB 3.97Å; L127-Q443 HydrophobicContact CD1-CG 3.72Å; L127-Q443 HydrophobicContact CD2-CB 3.91Å; L127-Q443 HydrophobicContact CG-CB 3.95Å; L127-Q443 HydrophobicContact CG-CG 4.04Å; Y439-Q443 VanDerWaalsContact CD1-NE2 3.27Å; Y439-Q443 VanDerWaalsContact O-CG 3.3Å; Y439-Q443 WeakPolarHBondContact O-CG 3.3Å; Y439-Q443 PolarHBondContact O-N 3.4Å; Y439-Q443 VanDerWaalsContact O-N 3.1Å; G440-Q443 WeakPolarHBondContact O-CB 3.43Å; G440-Q443 PolarHBondContact O-N 3.38Å; Q441-Q443 VanDerWaalsContact C-N 3.28Å; Q441-Q443 PolarHBondContact O-N 2.81Å; Q443-Y446 WeakPolarHBondContact O-CB 3.46Å; Q443-Y446 PolarHBondContact O-N 2.97Å; Q443-M447 VanDerWaalsContact O-CG 3.31Å; Q443-M447 WeakPolarHBondContact O-CG 3.32Å; Q443-M447 PolarHBondContact O-N 2.98Å; Q443-F482 HydrophobicContact CG-CD1 3.78Å; Q443-F482 HydrophobicContact CG-CD2 4.45Å; Q443-F482 HydrophobicContact CG-CE1 3.8Å; Q443-F482 HydrophobicContact CG-CE2 4.46Å; Q443-F482 HydrophobicContact CG-CG 4.12Å; Q443-F482 HydrophobicContact CG-CZ 4.15Å
444I92.5Very high91.2Very high96 Ų9640 Ų4049%0.49220%0.199SC..Hα-helixtrans-64.5-44.2177.8-71.2159.7000110.8G440 Q441 Y446 M447 T448G440-I444 WeakPolarHBondContact O-CD1 3.36Å; G440-I444 VanDerWaalsContact O-CG1 3.3Å; G440-I444 WeakPolarHBondContact O-CG1 3.46Å; G440-I444 PolarHBondContact O-N 3.41Å; Q441-I444 PolarHBondContact O-N 3.32Å; I444-Y446 VanDerWaalsContact C-N 3.34Å; I444-Y446 PolarHBondContact O-N 3.28Å; I444-M447 WeakPolarHBondContact O-CB 3.43Å; I444-M447 PolarHBondContact O-N 3.36Å; I444-M447 VanDerWaalsContact O-N 3.17Å; I444-T448 PolarHBondContact O-N 2.74Å; I444-T448 PolarHBondContact O-OG1 3.37Å
445I92.5Very high91.2Very high32 Ų3238.4 Ų38.416%0.16420%0.199CC..Hα-helixtrans-64-40.5178.1-74165.3000110.9I338 L341 T342 Q441 L442 T448 L449I338-I445 HydrophobicContact CB-CG2 4.47Å; I338-I445 HydrophobicContact CG2-CG2 4.24Å; L341-I445 HydrophobicContact CB-CG2 4.01Å; L341-I445 HydrophobicContact CD1-CG2 4.26Å; T342-I445 HydrophobicContact CG2-CD1 4.46Å; T342-I445 WeakPolarHBondContact OG1-CD1 3.5Å; Q441-I445 WeakPolarHBondContact O-CG1 3.46Å; Q441-I445 PolarHBondContact O-N 3.01Å; L442-I445 PolarHBondContact O-N 2.98Å; I445-T448 PolarHBondContact O-N 2.65Å; I445-L449 HydrophobicContact CG2-CD1 4.24Å; I445-L449 HydrophobicContact CG2-CG 4.5Å; I445-L449 WeakPolarHBondContact O-CB 3.48Å; I445-L449 WeakPolarHBondContact O-CG 3.3Å; I445-L449 PolarHBondContact O-N 2.87Å
446Y94Very high90.9Very high0 Ų038.4 Ų38.40%020%0.199CC..Hα-helixtrans-57-48.9170.2167.7-106.1000112.5L127 Q134 I338 L442 Q443 I444 T448 L449 L450 F475 L476 I478 M481 F482L127-Y446 HydrophobicContact CD1-CD1 4.18Å; L127-Y446 HydrophobicContact CD2-CD1 4.15Å; Q134-Y446 PolarHBondContact NE2-OH 3.11Å; I338-Y446 HydrophobicContact CD1-CD2 3.86Å; I338-Y446 HydrophobicContact CD1-CG 4.38Å; L442-Y446 WeakPolarHBondContact O-CB 3.35Å; L442-Y446 PolarHBondContact O-N 2.95Å; Q443-Y446 WeakPolarHBondContact O-CB 3.46Å; Q443-Y446 PolarHBondContact O-N 2.97Å; I444-Y446 VanDerWaalsContact C-N 3.34Å; I444-Y446 PolarHBondContact O-N 3.28Å; Y446-T448 PolarHBondContact O-N 3.5Å; Y446-L449 PolarHBondContact O-N 3.29Å; Y446-L450 HydrophobicContact CE1-CD2 4.05Å; Y446-L450 HydrophobicContact CE2-CB 4.43Å; Y446-L450 VanDerWaalsContact O-CB 3.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.15Å; Y446-L450 PolarHBondContact O-N 3.46Å; Y446-F475 AromaticContact CD2-CD1 3.65Å; Y446-F475 HydrophobicContact CD2-CD1 3.65Å; Y446-F475 AromaticContact CD2-CE1 3.91Å; Y446-F475 HydrophobicContact CD2-CE1 3.91Å; Y446-F475 HydrophobicContact CD2-CG 4.45Å; Y446-F475 HydrophobicContact CE2-CB 3.99Å; Y446-F475 AromaticContact CE2-CD1 3.44Å; Y446-F475 HydrophobicContact CE2-CD1 3.44Å; Y446-F475 VanDerWaalsContact CE2-CD1 3.44Å; Y446-F475 HydrophobicContact CE2-CE1 4.14Å; Y446-F475 AromaticContact CE2-CG 3.85Å; Y446-F475 HydrophobicContact CE2-CG 3.85Å; Y446-L476 PolarHBondContact OH-O 3.11Å; Y446-I478 HydrophobicContact CD1-CG1 4.45Å; Y446-I478 HydrophobicContact CE1-CD1 3.99Å; Y446-I478 HydrophobicContact CE1-CG1 3.42Å; Y446-I478 VanDerWaalsContact CE1-CG1 3.42Å; Y446-I478 WeakPolarHBondContact OH-CG1 3.35Å; Y446-M481 HydrophobicContact CD2-CE 3.13Å; Y446-M481 HydrophobicContact CE2-CE 3.13Å; Y446-M481 HydrophobicContact CG-CE 3.89Å; Y446-F482 AromaticContact CD1-CE2 3.87Å; Y446-F482 HydrophobicContact CD1-CE2 3.87Å; Y446-F482 HydrophobicContact CD2-CE2 4.44Å; Y446-F482 AromaticContact CG-CE2 3.73Å; Y446-F482 HydrophobicContact CG-CE2 3.73Å; Y446-F482 HydrophobicContact CG-CZ 4.45Å
447M92.2Very high90.6Very high47 Ų4739.1 Ų39.123%0.23220%0.203CC..Hα-helixtrans-57.6-51.2179.1-72.2-74.3-6500111.4L127 I130 Q443 I444 L449 L450 T451L127-M447 HydrophobicContact CD2-CG 3.18Å; L127-M447 HydrophobicContact CD2-SD 3.37Å; L127-M447 WeakPolarHBondContact CD2-SD 3.31Å; I130-M447 HydrophobicContact CD1-CE 3.46Å; I130-M447 VanDerWaalsContact CD1-CE 3.46Å; I130-M447 HydrophobicContact CD1-SD 3.52Å; I130-M447 VanDerWaalsContact CD1-SD 3.52Å; I130-M447 HydrophobicContact CG1-CE 3.9Å; I130-M447 HydrophobicContact CG1-SD 4.02Å; Q443-M447 VanDerWaalsContact O-CG 3.31Å; Q443-M447 WeakPolarHBondContact O-CG 3.32Å; Q443-M447 PolarHBondContact O-N 2.98Å; I444-M447 WeakPolarHBondContact O-CB 3.43Å; I444-M447 PolarHBondContact O-N 3.36Å; I444-M447 VanDerWaalsContact O-N 3.17Å; M447-L449 PolarHBondContact O-N 2.84Å; M447-L450 PolarHBondContact O-N 2.85Å; M447-T451 WeakPolarHBondContact O-CG2 3.35Å; M447-T451 PolarHBondContact O-N 3.35Å; M447-T451 PolarHBondContact O-OG1 2.71Å
448T91.7Very high90.3Very high85 Ų8537.8 Ų37.852%0.52121%0.205SC..Hα-helixtrans-60.6-45.2-179-58.90000111.5I444 I445 Y446 T451 L452I444-T448 PolarHBondContact O-N 2.74Å; I444-T448 PolarHBondContact O-OG1 3.37Å; I445-T448 PolarHBondContact O-N 2.65Å; Y446-T448 PolarHBondContact O-N 3.5Å; T448-T451 PolarHBondContact O-OG1 3.39Å; T448-L452 VanDerWaalsContact O-CB 3.31Å; T448-L452 WeakPolarHBondContact O-CB 3.29Å; T448-L452 PolarHBondContact O-N 3.22Å
449L90.8Very high89.8Confident8 Ų841 Ų414%0.04222%0.224CC..Hα-helixtrans-62-50175-74.2178.7000111.6L315 I338 L341 I445 Y446 M447 T451 L452 I453 F475L315-L449 HydrophobicContact CD1-CD2 3.96Å; I338-L449 HydrophobicContact CG1-CD1 3.92Å; L341-L449 HydrophobicContact CD1-CD1 3.95Å; L341-L449 HydrophobicContact CD1-CD2 3.9Å; L341-L449 HydrophobicContact CD1-CG 4.21Å; I445-L449 HydrophobicContact CG2-CD1 4.24Å; I445-L449 HydrophobicContact CG2-CG 4.5Å; I445-L449 WeakPolarHBondContact O-CB 3.48Å; I445-L449 WeakPolarHBondContact O-CG 3.3Å; I445-L449 PolarHBondContact O-N 2.87Å; Y446-L449 PolarHBondContact O-N 3.29Å; M447-L449 PolarHBondContact O-N 2.84Å; L449-T451 VanDerWaalsContact C-N 3.32Å; L449-T451 PolarHBondContact O-N 2.73Å; L449-L452 WeakPolarHBondContact O-CB 3.37Å; L449-L452 PolarHBondContact O-N 3.5Å; L449-I453 WeakPolarHBondContact O-CG1 3.15Å; L449-I453 PolarHBondContact O-N 3.39Å; L449-F475 HydrophobicContact CB-CE1 4.41Å; L449-F475 HydrophobicContact CB-CZ 3.79Å; L449-F475 HydrophobicContact CD1-CZ 4.32Å
450L91.2Very high88.8Confident14 Ų1442.8 Ų42.87%0.07324%0.235CC..Hα-helixtrans-56.6-46.2-179.3-179.268.1000111.4I130 Y446 M447 L452 I453 Q454 F475I130-L450 HydrophobicContact CD1-CD2 4.03Å; I130-L450 HydrophobicContact CG2-CD2 4.03Å; Y446-L450 HydrophobicContact CE1-CD2 4.05Å; Y446-L450 HydrophobicContact CE2-CB 4.43Å; Y446-L450 VanDerWaalsContact O-CB 3.28Å; Y446-L450 WeakPolarHBondContact O-CB 3.15Å; Y446-L450 PolarHBondContact O-N 3.46Å; M447-L450 PolarHBondContact O-N 2.85Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 2.89Å; L450-I453 PolarHBondContact O-N 3.03Å; L450-Q454 WeakPolarHBondContact O-CB 3.49Å; L450-Q454 VanDerWaalsContact O-CG 3.29Å; L450-Q454 WeakPolarHBondContact O-CG 3.39Å; L450-Q454 PolarHBondContact O-N 2.84Å; L450-F475 HydrophobicContact CD1-CB 4.36Å; L450-F475 HydrophobicContact CD1-CD2 3.86Å; L450-F475 HydrophobicContact CD1-CE2 4.5Å; L450-F475 HydrophobicContact CD1-CG 4.25Å
451T89.2Confident87.2Confident71 Ų7146.6 Ų46.644%0.43626%0.257SS..Hα-helixtrans-66.4-33.5176.952.40000112.9M447 T448 L449 L455M447-T451 WeakPolarHBondContact O-CG2 3.35Å; M447-T451 PolarHBondContact O-N 3.35Å; M447-T451 PolarHBondContact O-OG1 2.71Å; T448-T451 PolarHBondContact O-OG1 3.39Å; L449-T451 VanDerWaalsContact C-N 3.32Å; L449-T451 PolarHBondContact O-N 2.73Å; T451-L455 WeakPolarHBondContact O-CB 3.25Å; T451-L455 PolarHBondContact O-N 2.81Å; T451-L455 VanDerWaalsContact O-N 3.07Å
452L89.7Confident85.4Confident44 Ų4451.4 Ų51.423%0.2328%0.277CS..Hα-helixtrans-68.7-44.6175.817762.1000111.1F310 L311 T448 L449 L450 L455 L456F310-L452 HydrophobicContact CE1-CD1 4.24Å; L311-L452 HydrophobicContact CD2-CD2 3.87Å; L311-L452 HydrophobicContact CD2-CG 4.45Å; T448-L452 VanDerWaalsContact O-CB 3.31Å; T448-L452 WeakPolarHBondContact O-CB 3.29Å; T448-L452 PolarHBondContact O-N 3.22Å; L449-L452 WeakPolarHBondContact O-CB 3.37Å; L449-L452 PolarHBondContact O-N 3.5Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-L452 PolarHBondContact O-N 2.89Å; L452-L455 PolarHBondContact O-N 3.43Å; L452-L456 HydrophobicContact CD1-CD1 4.25Å; L452-L456 HydrophobicContact CD1-CG 4.23Å; L452-L456 HydrophobicContact CG-CD1 4.05Å; L452-L456 HydrophobicContact CG-CG 4.46Å; L452-L456 VanDerWaalsContact O-CG 3.29Å; L452-L456 WeakPolarHBondContact O-CG 3.34Å; L452-L456 PolarHBondContact O-N 3.26Å
453I88.6Confident83.5Confident4 Ų458.9 Ų58.92%0.02132%0.317CS..Hα-helixtrans-62.5-46.3176.9-63.5-41.6000110.7L311 L449 L450 L455 L456 D457 L473 F475L311-I453 HydrophobicContact CD1-CD1 3.46Å; L311-I453 VanDerWaalsContact CD1-CD1 3.46Å; L311-I453 HydrophobicContact CD2-CD1 3.94Å; L311-I453 HydrophobicContact CG-CD1 4.29Å; L449-I453 WeakPolarHBondContact O-CG1 3.15Å; L449-I453 PolarHBondContact O-N 3.39Å; L450-I453 PolarHBondContact O-N 3.03Å; I453-L455 VanDerWaalsContact C-N 3.28Å; I453-L455 PolarHBondContact O-N 3.34Å; I453-L456 HydrophobicContact CD1-CD1 4.26Å; I453-L456 PolarHBondContact O-N 3.39Å; I453-D457 WeakPolarHBondContact CG2-OD2 3.5Å; I453-D457 WeakPolarHBondContact O-CB 3.11Å; I453-D457 PolarHBondContact O-N 2.95Å; I453-L473 HydrophobicContact CD1-CB 4.17Å; I453-L473 HydrophobicContact CD1-CD2 4.41Å; I453-L473 HydrophobicContact CG1-CB 4.11Å; I453-L473 HydrophobicContact CG1-CD2 4.33Å; I453-L473 HydrophobicContact CG2-CB 4.47Å; I453-F475 HydrophobicContact CB-CE2 4.34Å; I453-F475 HydrophobicContact CG1-CE2 3.79Å; I453-F475 HydrophobicContact CG1-CZ 4.47Å
454Q87.5Confident81.4Confident101 Ų10163.4 Ų63.447%0.47234%0.341SS..Hα-helixtrans-58.5-38.6175.6-73.4173.4-27.800112.7L450 S458L450-Q454 WeakPolarHBondContact O-CB 3.49Å; L450-Q454 VanDerWaalsContact O-CG 3.29Å; L450-Q454 WeakPolarHBondContact O-CG 3.39Å; L450-Q454 PolarHBondContact O-N 2.84Å; Q454-S458 WeakPolarHBondContact O-CB 3.4Å; Q454-S458 PolarHBondContact O-N 3.25Å; Q454-S458 PolarHBondContact O-OG 2.82Å
455L86.4Confident79.5Confident98 Ų9865.9 Ų65.951%0.51335%0.351SS..Hα-helixtrans-67.6-46.6174.6178.562.8000112T451 L452 I453 S458 L459T451-L455 WeakPolarHBondContact O-CB 3.25Å; T451-L455 PolarHBondContact O-N 2.81Å; T451-L455 VanDerWaalsContact O-N 3.07Å; L452-L455 PolarHBondContact O-N 3.43Å; I453-L455 VanDerWaalsContact C-N 3.28Å; I453-L455 PolarHBondContact O-N 3.34Å; L455-S458 PolarHBondContact O-N 3.04Å; L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD1-CG 4.22Å; L455-L459 HydrophobicContact CG-CD1 4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.25Å; L455-L459 PolarHBondContact O-N 3.19Å
456L84.7Confident77.5Confident3 Ų371.5 Ų71.52%0.01638%0.381CS..Hα-helixtrans-62.6-45.9178.7-71172000111.8L292 R307 F310 L311 L452 I453 S458 L459 V460L292-L456 HydrophobicContact CD1-CD2 3.81Å; L292-L456 HydrophobicContact CD2-CD2 3.98Å; L292-L456 HydrophobicContact CG-CD2 4.36Å; R307-L456 HydrophobicContact CB-CB 4.38Å; R307-L456 HydrophobicContact CG-CB 4.18Å; F310-L456 HydrophobicContact CD1-CD1 3.67Å; F310-L456 HydrophobicContact CD1-CD2 3.65Å; F310-L456 HydrophobicContact CD1-CG 4.31Å; F310-L456 HydrophobicContact CE1-CD1 3.93Å; F310-L456 HydrophobicContact CE1-CD2 3.82Å; F310-L456 HydrophobicContact CE1-CG 4.39Å; F310-L456 HydrophobicContact CG-CD2 4.19Å; F310-L456 HydrophobicContact CZ-CD2 4.46Å; L311-L456 HydrophobicContact CD1-CD1 4.4Å; L311-L456 HydrophobicContact CD2-CD1 3.86Å; L311-L456 HydrophobicContact CG-CD1 4.01Å; L452-L456 HydrophobicContact CD1-CD1 4.25Å; L452-L456 HydrophobicContact CD1-CG 4.23Å; L452-L456 HydrophobicContact CG-CD1 4.05Å; L452-L456 HydrophobicContact CG-CG 4.46Å; L452-L456 VanDerWaalsContact O-CG 3.29Å; L452-L456 WeakPolarHBondContact O-CG 3.34Å; L452-L456 PolarHBondContact O-N 3.26Å; I453-L456 HydrophobicContact CD1-CD1 4.26Å; I453-L456 PolarHBondContact O-N 3.39Å; L456-S458 VanDerWaalsContact C-N 3.31Å; L456-S458 PolarHBondContact O-N 2.87Å; L456-L459 PolarHBondContact O-N 3.05Å; L456-V460 WeakPolarHBondContact O-CG2 3.22Å; L456-V460 PolarHBondContact O-N 3.47Å
457D83.4Confident75.4Confident25 Ų2577.3 Ų77.313%0.13441%0.408CS..Hα-helixtrans-58.4-45175.4-68-17.1000110.4R307 I453 L459 V460 T461 T471 C472R307-D457 WeakPolarHBondContact CD-OD1 3.45Å; R307-D457 IonicContact CZ-OD1 3.87Å; R307-D457 IonicContact NE-OD1 3.01Å; R307-D457 IonicContact NH1-OD1 3.89Å; R307-D457 PolarHBondContact NH1-OD1 3.14Å; I453-D457 WeakPolarHBondContact CG2-OD2 3.5Å; I453-D457 WeakPolarHBondContact O-CB 3.11Å; I453-D457 PolarHBondContact O-N 2.95Å; D457-L459 PolarHBondContact O-N 2.98Å; D457-V460 PolarHBondContact O-N 2.97Å; D457-T461 VanDerWaalsContact O-CG2 3.27Å; D457-T461 WeakPolarHBondContact O-CG2 3.43Å; D457-T471 VanDerWaalsContact OD2-CA 3.3Å; D457-T471 WeakPolarHBondContact OD2-CA 3.46Å; D457-T471 WeakPolarHBondContact OD2-CB 3.24Å; D457-T471 WeakPolarHBondContact OD2-CG2 3.39Å; D457-C472 PolarHBondContact OD1-N 3.38Å; D457-C472 VanDerWaalsContact OD1-N 3.08Å; D457-C472 PolarHBondContact OD1-SG 2.88Å
458S82.8Confident73.4Confident77 Ų7781.5 Ų81.554%0.53843%0.425SS..Hα-helixtrans-62.9-41.1177.3-58.70000113.1Q454 L455 L456 V460 T461Q454-S458 WeakPolarHBondContact O-CB 3.4Å; Q454-S458 PolarHBondContact O-N 3.25Å; Q454-S458 PolarHBondContact O-OG 2.82Å; L455-S458 PolarHBondContact O-N 3.04Å; L456-S458 VanDerWaalsContact C-N 3.31Å; L456-S458 PolarHBondContact O-N 2.87Å; S458-V460 VanDerWaalsContact C-N 3.33Å; S458-V460 PolarHBondContact O-N 3.02Å; S458-T461 PolarHBondContact O-OG1 3.46Å
459L79.6Confident71.5Confident96 Ų9682.6 Ų82.650%0.50344%0.436SS..Hα-helixtrans-69.6-26.5-177.3-74.1170.6000113.8L292 L455 L456 D457L292-L459 HydrophobicContact CD2-CB 4.35Å; L455-L459 HydrophobicContact CD1-CD1 4.12Å; L455-L459 HydrophobicContact CD1-CG 4.22Å; L455-L459 HydrophobicContact CG-CD1 4Å; L455-L459 VanDerWaalsContact O-CG 3.27Å; L455-L459 WeakPolarHBondContact O-CG 3.25Å; L455-L459 PolarHBondContact O-N 3.19Å; L456-L459 PolarHBondContact O-N 3.05Å; D457-L459 PolarHBondContact O-N 2.98Å
460V73.1Confident70.2Confident40 Ų4087.4 Ų87.424%0.24246%0.46CS..Hα-helixtrans-94.6-0.9-174.2176.10000113L292 R307 L456 D457 S458 K462L292-V460 HydrophobicContact CD2-CG2 3.73Å; R307-V460 HydrophobicContact CG-CB 4.2Å; R307-V460 HydrophobicContact CG-CG1 4.44Å; R307-V460 HydrophobicContact CG-CG2 3.67Å; L456-V460 WeakPolarHBondContact O-CG2 3.22Å; L456-V460 PolarHBondContact O-N 3.47Å; D457-V460 PolarHBondContact O-N 2.97Å; S458-V460 VanDerWaalsContact C-N 3.33Å; S458-V460 PolarHBondContact O-N 3.02Å; V460-K462 PolarHBondContact O-N 3.25Å
461T59.8Low69.4Low87 Ų8789.3 Ų89.353%0.53447%0.472SS..  trans-63.222.3-177.856.10000117.6D457 S458 N463D457-T461 VanDerWaalsContact O-CG2 3.27Å; D457-T461 WeakPolarHBondContact O-CG2 3.43Å; S458-T461 PolarHBondContact O-OG1 3.46Å; T461-N463 PolarHBondContact O-N 2.9Å
462K55.1Low68.8Low152 Ų15286.7 Ų86.766%0.66146%0.457SS*.  trans-77.8114.6178.9-69.8-175.2177.6-1790112.3V460 D464V460-K462 PolarHBondContact O-N 3.25Å; K462-D464 PolarHBondContact O-N 2.89Å
463N52.9Low68.4Low157 Ų15785.2 Ų85.284%0.8445%0.449SS*.SBendtrans85.3-18.3150.6-58.3-2.9000120.8T461T461-N463 PolarHBondContact O-N 2.9Å
464D52.2Low68.2Low95 Ų9588.2 Ų88.251%0.50847%0.465SS..  trans-109.8114.4173.5-84.4-39.1000113K462 N466 Q467K462-D464 PolarHBondContact O-N 2.89Å; D464-N466 PolarHBondContact O-N 2.97Å; D464-Q467 HydrophobicContact CB-CB 4.14Å; D464-Q467 HydrophobicContact CB-CG 3.89Å; D464-Q467 PolarHBondContact O-N 3.1Å; D464-Q467 VanDerWaalsContact O-N 3.07Å
465E52.8Low68.3Low148 Ų14885.1 Ų85.169%0.69245%0.45SS*.G310 helixtrans-56.7-33.8174-68.2-109.8102.200111.9Q467 K468E465-Q467 VanDerWaalsContact C-N 3.32Å; E465-Q467 PolarHBondContact O-N 3.14Å; E465-K468 PolarHBondContact O-N 3.05Å; E465-K468 IonicContact OE1-NZ 2.65Å; E465-K468 PolarHBondContact OE1-NZ 3.43Å
466N50.5Low68.4Low149 Ų14981.2 Ų81.280%0.79743%0.43SS*.G310 helixtrans-71.4-20.6179.4-68.8-25000113.9D464D464-N466 PolarHBondContact O-N 2.97Å
467Q49.3Very low68.7Low122 Ų12282.8 Ų82.857%0.5744%0.44SS*.G310 helixtrans-89.9-14.3179-68.7-169.47.300113.6D464 E465 S469 M470D464-Q467 HydrophobicContact CB-CB 4.14Å; D464-Q467 HydrophobicContact CB-CG 3.89Å; D464-Q467 PolarHBondContact O-N 3.1Å; D464-Q467 VanDerWaalsContact O-N 3.07Å; E465-Q467 VanDerWaalsContact C-N 3.32Å; E465-Q467 PolarHBondContact O-N 3.14Å; Q467-S469 PolarHBondContact O-N 3.37Å; Q467-M470 PolarHBondContact O-N 2.87Å
468K49.9Very low69.2Low135 Ų13581.6 Ų81.659%0.58743%0.434SS*.THydrogen-bonded Turntrans-57.4-17.6-178.6-75.6177.8177.3170.70114.9E465E465-K468 PolarHBondContact O-N 3.05Å; E465-K468 IonicContact OE1-NZ 2.65Å; E465-K468 PolarHBondContact OE1-NZ 3.43Å
469S52.9Low69.6Low108 Ų10878.4 Ų78.476%0.75541%0.41SS*.THydrogen-bonded Turntrans-93.2-14.3-174.759.90000115.2Q467Q467-S469 PolarHBondContact O-N 3.37Å
470M63.3Low70.2Confident110 Ų11075.1 Ų75.154%0.54239%0.392SS..  trans-103.8101.9-170.4-160.9166.183.200112.8R307 Q467R307-M470 PolarHBondContact NH1-O 2.64Å; R307-M470 PolarHBondContact NH2-O 3.46Å; Q467-M470 PolarHBondContact O-N 2.87Å
471T73.8Confident71.2Confident53 Ų5373.3 Ų73.333%0.32538%0.381SS..  trans-65.4140.2168.467.80000109.9D457 L473 N474D457-T471 VanDerWaalsContact OD2-CA 3.3Å; D457-T471 WeakPolarHBondContact OD2-CA 3.46Å; D457-T471 WeakPolarHBondContact OD2-CB 3.24Å; D457-T471 WeakPolarHBondContact OD2-CG2 3.39Å; T471-L473 VanDerWaalsContact C-N 3.26Å; T471-L473 PolarHBondContact O-N 3.26Å; T471-N474 PolarHBondContact OG1-OD1 3.44Å
472C75.6Confident72.9Confident17 Ų1769.1 Ų69.112%0.11536%0.356CS..SBendtrans-65.6-28.2177.154.70000113.3D305 R307 L308 D457D305-C472 WeakPolarHBondContact OD2-CB 3.32Å; R307-C472 HydrophobicContact CB-CB 3.72Å; R307-C472 HydrophobicContact CG-CB 4.46Å; L308-C472 HydrophobicContact CD2-CB 3.9Å; L308-C472 WeakPolarHBondContact CD2-O 3.41Å; L308-C472 HydrophobicContact CG-CB 4.23Å; D457-C472 PolarHBondContact OD1-N 3.38Å; D457-C472 VanDerWaalsContact OD1-N 3.08Å; D457-C472 PolarHBondContact OD1-SG 2.88Å
473L82.3Confident74.8Confident13 Ų1362 Ų627%0.06832%0.324CS..SBendtrans-141.5113.5178.9-178.867.4000112.1I333 S334 L337 I453 T471 F475I333-L473 HydrophobicContact CB-CD1 4.46Å; I333-L473 HydrophobicContact CG2-CD1 3.82Å; S334-L473 VanDerWaalsContact OG-CD1 3.26Å; S334-L473 WeakPolarHBondContact OG-CD1 3.37Å; S334-L473 VanDerWaalsContact OG-CG 3.3Å; S334-L473 WeakPolarHBondContact OG-CG 3.28Å; L337-L473 HydrophobicContact CD1-CD1 4.41Å; L337-L473 HydrophobicContact CD1-CD2 3.88Å; I453-L473 HydrophobicContact CD1-CB 4.17Å; I453-L473 HydrophobicContact CD1-CD2 4.41Å; I453-L473 HydrophobicContact CG1-CB 4.11Å; I453-L473 HydrophobicContact CG1-CD2 4.33Å; I453-L473 HydrophobicContact CG2-CB 4.47Å; T471-L473 VanDerWaalsContact C-N 3.26Å; T471-L473 PolarHBondContact O-N 3.26Å; L473-F475 HydrophobicContact CD2-CE2 3.9Å; L473-F475 HydrophobicContact CD2-CZ 3.67Å; L473-F475 HydrophobicContact CG-CE2 4.08Å; L473-F475 HydrophobicContact CG-CZ 4.24Å; L473-F475 WeakPolarHBondContact O-CD2 3.5Å
474N85Confident76.9Confident67 Ų6754.9 Ų54.936%0.35829%0.288SS..  trans-77.2123.9-176.8-80-65.8000112.3N330 W331 S334 T471N330-N474 PolarHBondContact ND2-ND2 3.42Å; W331-N474 WeakPolarHBondContact CA-O 3.5Å; S334-N474 WeakPolarHBondContact CB-O 3.24Å; S334-N474 PolarHBondContact OG-O 2.97Å; T471-N474 PolarHBondContact OG1-OD1 3.44Å
475F87.9Confident78.9Confident36 Ų3650.5 Ų50.516%0.15826%0.264CS..  trans-106.2141174.2-74.1-84000112.2I338 Y446 L449 L450 I453 L473 M481I338-F475 HydrophobicContact CD1-CD1 4.46Å; I338-F475 HydrophobicContact CD1-CE1 4.09Å; I338-F475 HydrophobicContact CG1-CE1 4.49Å; Y446-F475 AromaticContact CD2-CD1 3.65Å; Y446-F475 HydrophobicContact CD2-CD1 3.65Å; Y446-F475 AromaticContact CD2-CE1 3.91Å; Y446-F475 HydrophobicContact CD2-CE1 3.91Å; Y446-F475 HydrophobicContact CD2-CG 4.45Å; Y446-F475 HydrophobicContact CE2-CB 3.99Å; Y446-F475 AromaticContact CE2-CD1 3.44Å; Y446-F475 HydrophobicContact CE2-CD1 3.44Å; Y446-F475 VanDerWaalsContact CE2-CD1 3.44Å; Y446-F475 HydrophobicContact CE2-CE1 4.14Å; Y446-F475 AromaticContact CE2-CG 3.85Å; Y446-F475 HydrophobicContact CE2-CG 3.85Å; L449-F475 HydrophobicContact CB-CE1 4.41Å; L449-F475 HydrophobicContact CB-CZ 3.79Å; L449-F475 HydrophobicContact CD1-CZ 4.32Å; L450-F475 HydrophobicContact CD1-CB 4.36Å; L450-F475 HydrophobicContact CD1-CD2 3.86Å; L450-F475 HydrophobicContact CD1-CE2 4.5Å; L450-F475 HydrophobicContact CD1-CG 4.25Å; I453-F475 HydrophobicContact CB-CE2 4.34Å; I453-F475 HydrophobicContact CG1-CE2 3.79Å; I453-F475 HydrophobicContact CG1-CZ 4.47Å; L473-F475 HydrophobicContact CD2-CE2 3.9Å; L473-F475 HydrophobicContact CD2-CZ 3.67Å; L473-F475 HydrophobicContact CG-CE2 4.08Å; L473-F475 HydrophobicContact CG-CZ 4.24Å; L473-F475 WeakPolarHBondContact O-CD2 3.5Å; F475-M481 HydrophobicContact CD1-CE 4.19Å
476L89.6Confident80.9Confident15 Ų1544.1 Ų44.18%0.07923%0.234CC..  trans-66148.9163.9-65.5-173.5000110.8W331 I335 Y380 Y446 M480W331-L476 HydrophobicContact CB-CD2 3.96Å; W331-L476 HydrophobicContact CB-CG 4.14Å; W331-L476 HydrophobicContact CD2-CD1 4.17Å; W331-L476 HydrophobicContact CD2-CD2 3.93Å; W331-L476 HydrophobicContact CD2-CG 4.09Å; W331-L476 HydrophobicContact CE3-CD1 3.52Å; W331-L476 HydrophobicContact CE3-CD2 4.12Å; W331-L476 HydrophobicContact CE3-CG 3.78Å; W331-L476 HydrophobicContact CG-CD2 3.84Å; W331-L476 HydrophobicContact CG-CG 4.25Å; W331-L476 HydrophobicContact CZ3-CD1 3.82Å; I335-L476 HydrophobicContact CD1-CD1 4.3Å; Y380-L476 HydrophobicContact CD2-CD1 4.05Å; Y380-L476 HydrophobicContact CD2-CD2 3.72Å; Y380-L476 HydrophobicContact CE2-CD2 4.07Å; Y380-L476 HydrophobicContact CG-CD1 4.45Å; Y446-L476 PolarHBondContact OH-O 3.11Å; L476-M480 HydrophobicContact CB-CB 4.16Å; L476-M480 HydrophobicContact CD1-CB 4.22Å; L476-M480 HydrophobicContact CD2-SD 4.27Å
477P91Very high83.1Confident36 Ų3637 Ų3723%0.23420%0.196CC..  trans-54.9150.7168.8-25.233.9000112.6Y479 M480 M481P477-Y479 VanDerWaalsContact C-N 3.28Å; P477-Y479 HydrophobicContact CB-CD1 3.96Å; P477-Y479 HydrophobicContact CB-CE1 3.43Å; P477-Y479 VanDerWaalsContact CB-CE1 3.43Å; P477-Y479 HydrophobicContact CB-CE2 4.04Å; P477-Y479 HydrophobicContact CB-CG 4.46Å; P477-Y479 VanDerWaalsContact CB-CZ 3.46Å; P477-Y479 HydrophobicContact CG-CE1 4.32Å; P477-Y479 PolarHBondContact O-N 2.83Å; P477-M480 HydrophobicContact CB-CG 4.35Å; P477-M480 HydrophobicContact CG-CE 4.45Å; P477-M480 HydrophobicContact CG-CG 4.49Å; P477-M480 HydrophobicContact CG-SD 4.43Å; P477-M480 WeakPolarHBondContact O-CB 3.45Å; P477-M480 PolarHBondContact O-N 3.22Å; P477-M481 PolarHBondContact O-N 3.37Å
478I94.3Very high85.3Confident0 Ų031.4 Ų31.40%017%0.17CC..Hα-helixtrans-58.1-40.7-173.1-71.4157.8000112.2Y52 L127 I130 T131 Y446 M480 M481 F482Y52-I478 HydrophobicContact CD1-CG2 4.31Å; Y52-I478 HydrophobicContact CD2-CG2 3.59Å; Y52-I478 HydrophobicContact CE2-CG2 4.27Å; Y52-I478 HydrophobicContact CG-CG2 3.64Å; L127-I478 HydrophobicContact CB-CD1 4.07Å; L127-I478 HydrophobicContact CB-CG1 4.43Å; L127-I478 HydrophobicContact CB-CG2 3.72Å; L127-I478 HydrophobicContact CD1-CG1 4.29Å; L127-I478 HydrophobicContact CD1-CG2 3.59Å; L127-I478 HydrophobicContact CG-CG2 4.32Å; I130-I478 HydrophobicContact CB-CD1 3.49Å; I130-I478 VanDerWaalsContact CB-CD1 3.49Å; I130-I478 HydrophobicContact CG2-CD1 3.43Å; I130-I478 VanDerWaalsContact CG2-CD1 3.43Å; T131-I478 VanDerWaalsContact OG1-CG2 3.23Å; T131-I478 WeakPolarHBondContact OG1-CG2 3.47Å; Y446-I478 HydrophobicContact CD1-CG1 4.45Å; Y446-I478 HydrophobicContact CE1-CD1 3.99Å; Y446-I478 HydrophobicContact CE1-CG1 3.42Å; Y446-I478 VanDerWaalsContact CE1-CG1 3.42Å; Y446-I478 WeakPolarHBondContact OH-CG1 3.35Å; I478-M480 PolarHBondContact O-N 2.85Å; I478-M481 PolarHBondContact O-N 3.35Å; I478-F482 HydrophobicContact CG2-CB 4.45Å; I478-F482 WeakPolarHBondContact O-CA 3.49Å; I478-F482 PolarHBondContact O-N 3.32Å
479Y91.8Very high87.5Confident11 Ų1125 Ų254%0.04314%0.142CC..Hα-helixtrans-68.2-12.6179.357.9-100000113.7L53 V135 Q138 I383 Y394 P477 P483L53-Y479 HydrophobicContact CD1-CD2 4.43Å; V135-Y479 HydrophobicContact CG2-CD1 4.43Å; V135-Y479 HydrophobicContact CG2-CE1 4.44Å; Q138-Y479 PolarHBondContact OE1-OH 3.02Å; I383-Y479 HydrophobicContact CD1-CD2 4.41Å; Y394-Y479 VanDerWaalsContact OH-CE2 3.23Å; Y394-Y479 WeakPolarHBondContact OH-CE2 3.41Å; P477-Y479 VanDerWaalsContact C-N 3.28Å; P477-Y479 HydrophobicContact CB-CD1 3.96Å; P477-Y479 HydrophobicContact CB-CE1 3.43Å; P477-Y479 VanDerWaalsContact CB-CE1 3.43Å; P477-Y479 HydrophobicContact CB-CE2 4.04Å; P477-Y479 HydrophobicContact CB-CG 4.46Å; P477-Y479 VanDerWaalsContact CB-CZ 3.46Å; P477-Y479 HydrophobicContact CG-CE1 4.32Å; P477-Y479 PolarHBondContact O-N 2.83Å; Y479-P483 WeakPolarHBondContact O-CA 3.46Å; Y479-P483 WeakPolarHBondContact O-CB 3.38Å
480M92.1Very high89.4Confident27 Ų2720 Ų2013%0.13311%0.107CC..Hα-helixtrans-90.9-41.8171.2-56.8-163.9174.200112.5T379 I383 L476 P477 I478T379-M480 WeakPolarHBondContact CB-O 3.4Å; T379-M480 HydrophobicContact CG2-CB 4.48Å; T379-M480 WeakPolarHBondContact CG2-O 3.48Å; I383-M480 HydrophobicContact CB-CE 4.19Å; I383-M480 HydrophobicContact CD1-CE 4.33Å; I383-M480 HydrophobicContact CD1-CG 3.91Å; I383-M480 HydrophobicContact CG2-CE 3.72Å; L476-M480 HydrophobicContact CB-CB 4.16Å; L476-M480 HydrophobicContact CD1-CB 4.22Å; L476-M480 HydrophobicContact CD2-SD 4.27Å; P477-M480 HydrophobicContact CB-CG 4.35Å; P477-M480 HydrophobicContact CG-CE 4.45Å; P477-M480 HydrophobicContact CG-CG 4.49Å; P477-M480 HydrophobicContact CG-SD 4.43Å; P477-M480 WeakPolarHBondContact O-CB 3.45Å; P477-M480 PolarHBondContact O-N 3.22Å; I478-M480 PolarHBondContact O-N 2.85Å
481M93.4Very high90.9Very high1 Ų114.8 Ų14.81%0.0058%0.081CC..Hα-helixtrans-84.1-29-176.1-175.1149.155.400113.3I335 I338 F372 C376 Y446 F475 P477 I478 P483I335-M481 HydrophobicContact CG1-SD 3.72Å; I338-M481 HydrophobicContact CD1-CE 3.64Å; I338-M481 HydrophobicContact CD1-SD 3.54Å; I338-M481 VanDerWaalsContact CD1-SD 3.54Å; F372-M481 HydrophobicContact CE2-CG 3.81Å; F372-M481 HydrophobicContact CZ-CG 3.79Å; F372-M481 HydrophobicContact CZ-SD 3.95Å; C376-M481 PolarHBondContact SG-O 2.8Å; Y446-M481 HydrophobicContact CD2-CE 3.13Å; Y446-M481 HydrophobicContact CE2-CE 3.13Å; Y446-M481 HydrophobicContact CG-CE 3.89Å; F475-M481 HydrophobicContact CD1-CE 4.19Å; P477-M481 PolarHBondContact O-N 3.37Å; I478-M481 PolarHBondContact O-N 3.35Å; M481-P483 VanDerWaalsContact C-CD 3.43Å
482F95.8Very high91.8Very high0 Ų012.9 Ų12.90%07%0.068CC..SBendtrans-12948.7-178.6-61.2-71.1000111.6Y52 L127 F372 Y439 L442 Q443 Y446 I478 S484Y52-F482 HydrophobicContact CD2-CB 3.68Å; Y52-F482 WeakPolarHBondContact CD2-O 3.43Å; Y52-F482 HydrophobicContact CE2-CB 4.03Å; L127-F482 HydrophobicContact CD1-CB 4.16Å; L127-F482 HydrophobicContact CD1-CD2 3.28Å; L127-F482 HydrophobicContact CD1-CE2 3.76Å; L127-F482 HydrophobicContact CD1-CG 3.82Å; F372-F482 HydrophobicContact CD2-CE1 4.36Å; F372-F482 HydrophobicContact CE2-CD1 4.14Å; F372-F482 AromaticContact CE2-CE1 3.53Å; F372-F482 HydrophobicContact CE2-CE1 3.53Å; F372-F482 AromaticContact CE2-CZ 3.96Å; F372-F482 HydrophobicContact CE2-CZ 3.96Å; F372-F482 HydrophobicContact CZ-CE1 4.18Å; F372-F482 HydrophobicContact CZ-CZ 4.18Å; Y439-F482 HydrophobicContact CD2-CD1 4.4Å; Y439-F482 AromaticContact CE2-CD1 3.65Å; Y439-F482 HydrophobicContact CE2-CD1 3.65Å; Y439-F482 HydrophobicContact CE2-CE1 4.35Å; Y439-F482 AromaticContact CZ-CD1 3.9Å; Y439-F482 VanDerWaalsContact OH-C 3.28Å; Y439-F482 VanDerWaalsContact OH-CA 3.26Å; Y439-F482 WeakPolarHBondContact OH-CA 3.45Å; Y439-F482 WeakPolarHBondContact OH-CB 3.22Å; Y439-F482 PolarHBondContact OH-O 2.95Å; L442-F482 HydrophobicContact CB-CE1 3.88Å; L442-F482 HydrophobicContact CB-CZ 4.26Å; Q443-F482 HydrophobicContact CG-CD1 3.78Å; Q443-F482 HydrophobicContact CG-CD2 4.45Å; Q443-F482 HydrophobicContact CG-CE1 3.8Å; Q443-F482 HydrophobicContact CG-CE2 4.46Å; Q443-F482 HydrophobicContact CG-CG 4.12Å; Q443-F482 HydrophobicContact CG-CZ 4.15Å; Y446-F482 AromaticContact CD1-CE2 3.87Å; Y446-F482 HydrophobicContact CD1-CE2 3.87Å; Y446-F482 HydrophobicContact CD2-CE2 4.44Å; Y446-F482 AromaticContact CG-CE2 3.73Å; Y446-F482 HydrophobicContact CG-CE2 3.73Å; Y446-F482 HydrophobicContact CG-CZ 4.45Å; I478-F482 HydrophobicContact CG2-CB 4.45Å; I478-F482 WeakPolarHBondContact O-CA 3.49Å; I478-F482 PolarHBondContact O-N 3.32Å; F482-S484 VanDerWaalsContact C-N 3.31Å; F482-S484 PolarHBondContact O-N 3.33Å; F482-S484 VanDerWaalsContact O-N 3.16Å
483P94.9Very high92.5Very high1 Ų113.4 Ų13.41%0.0067%0.068CC..SBendtrans-58.1-38.7-166.424.2-35.7000114.1E51 Y52 L53 I375 T379 F402 Y479 M481E51-P483 CarbonylContact C-O 3.58Å; Y52-P483 PolarHBondContact N-O 2.88Å; L53-P483 HydrophobicContact CB-CB 3.93Å; L53-P483 WeakPolarHBondContact CB-O 3.42Å; L53-P483 HydrophobicContact CD2-CB 4.29Å; L53-P483 PolarHBondContact N-O 2.89Å; I375-P483 HydrophobicContact CG2-CG 3.42Å; I375-P483 VanDerWaalsContact CG2-CG 3.42Å; T379-P483 HydrophobicContact CG2-CB 4.13Å; T379-P483 HydrophobicContact CG2-CG 4.21Å; F402-P483 HydrophobicContact CD2-CB 4.28Å; F402-P483 HydrophobicContact CE2-CB 3.94Å; F402-P483 HydrophobicContact CE2-CG 4.25Å; Y479-P483 WeakPolarHBondContact O-CA 3.46Å; Y479-P483 WeakPolarHBondContact O-CB 3.38Å; M481-P483 VanDerWaalsContact C-CD 3.43Å
484S95.7Very high92.9Very high9 Ų912.8 Ų12.86%0.0637%0.065CC..  trans-157.6118.1-176173.10000110.8E51 F482 Y486 L487 F488E51-S484 VanDerWaalsContact CD-OG 3.22Å; E51-S484 PolarHBondContact OE1-OG 2.93Å; E51-S484 VanDerWaalsContact OE1-OG 3.06Å; E51-S484 WeakPolarHBondContact OE2-CB 3.24Å; E51-S484 PolarHBondContact OE2-OG 3.21Å; F482-S484 VanDerWaalsContact C-N 3.31Å; F482-S484 PolarHBondContact O-N 3.33Å; F482-S484 VanDerWaalsContact O-N 3.16Å; S484-Y486 VanDerWaalsContact C-N 3.29Å; S484-Y486 PolarHBondContact OG-N 3.43Å; S484-L487 PolarHBondContact O-N 3.15Å; S484-L487 PolarHBondContact OG-N 2.88Å; S484-F488 PolarHBondContact O-N 2.87Å; S484-F488 VanDerWaalsContact O-N 3.1Å
485G95.7Very high93.1Very high2 Ų29.6 Ų9.62%0.0215%0.048CC..Hα-helixtrans-67.2-30.817100000112.6F48 G50 E51 F488 H489F48-G485 WeakPolarHBondContact O-CA 3.28Å; G50-G485 PolarHBondContact O-N 3.03Å; E51-G485 PolarHBondContact OE1-N 3.22Å; G485-F488 PolarHBondContact O-N 3.3Å; G485-H489 WeakPolarHBondContact O-CB 3.26Å; G485-H489 PolarHBondContact O-N 2.85Å
486Y95.1Very high93Very high15 Ų1511.3 Ų11.36%0.0596%0.059CC..Hα-helixtrans-61.2-46.5171.4172.5-109.6000111.5F48 E51 I115 Y403 A406 S484 H489 Q490F48-Y486 HydrophobicContact CD2-CD2 4.35Å; F48-Y486 HydrophobicContact CE1-CD2 4.19Å; F48-Y486 AromaticContact CE2-CD2 3.77Å; F48-Y486 HydrophobicContact CE2-CD2 3.77Å; F48-Y486 HydrophobicContact CE2-CG 4.41Å; F48-Y486 AromaticContact CZ-CD2 3.69Å; F48-Y486 HydrophobicContact CZ-CD2 3.69Å; F48-Y486 HydrophobicContact CZ-CE2 4.44Å; E51-Y486 VanDerWaalsContact OE1-CB 3.26Å; E51-Y486 WeakPolarHBondContact OE1-CB 3.37Å; E51-Y486 PolarHBondContact OE1-N 3.41Å; I115-Y486 HydrophobicContact CG2-CD2 3.91Å; I115-Y486 HydrophobicContact CG2-CE2 3.56Å; Y403-Y486 AromaticContact CD2-CD1 3.82Å; Y403-Y486 HydrophobicContact CD2-CD1 3.82Å; Y403-Y486 AromaticContact CD2-CE1 3.49Å; Y403-Y486 HydrophobicContact CD2-CE1 3.49Å; Y403-Y486 VanDerWaalsContact CD2-CE1 3.49Å; Y403-Y486 HydrophobicContact CE2-CD1 4.1Å; Y403-Y486 AromaticContact CE2-CE1 3.56Å; Y403-Y486 HydrophobicContact CE2-CE1 3.56Å; Y403-Y486 HydrophobicContact CG-CE1 4.44Å; A406-Y486 HydrophobicContact CB-CD1 4.09Å; A406-Y486 HydrophobicContact CB-CE1 3.53Å; S484-Y486 VanDerWaalsContact C-N 3.29Å; S484-Y486 PolarHBondContact OG-N 3.43Å; Y486-H489 PolarHBondContact O-N 3.24Å; Y486-Q490 HydrophobicContact CD2-CG 4.2Å; Y486-Q490 HydrophobicContact CE1-CG 4.22Å; Y486-Q490 HydrophobicContact CE2-CG 3.73Å; Y486-Q490 WeakPolarHBondContact O-CG 3.24Å; Y486-Q490 PolarHBondContact O-N 3.1Å
487L95.5Very high92.8Very high0 Ų011.8 Ų11.80%06%0.064CC..Hα-helixtrans-59.5-48.4176-178.467.5000111.3I375 F402 A406 S484 H489 Q490 I491 L662I375-L487 HydrophobicContact CD1-CD2 4.22Å; I375-L487 HydrophobicContact CD1-CG 4.09Å; I375-L487 HydrophobicContact CG1-CD2 4.14Å; I375-L487 HydrophobicContact CG1-CG 4.43Å; I375-L487 HydrophobicContact CG2-CD2 4.29Å; F402-L487 HydrophobicContact CB-CD1 4.49Å; F402-L487 HydrophobicContact CB-CD2 4.07Å; F402-L487 HydrophobicContact CD1-CD2 4.15Å; F402-L487 HydrophobicContact CD2-CD2 4.18Å; F402-L487 HydrophobicContact CG-CD2 3.89Å; A406-L487 HydrophobicContact CB-CD1 3.92Å; S484-L487 PolarHBondContact O-N 3.15Å; S484-L487 PolarHBondContact OG-N 2.88Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 2.94Å; L487-Q490 PolarHBondContact O-N 2.86Å; L487-I491 HydrophobicContact CD1-CD1 3.72Å; L487-I491 HydrophobicContact CD1-CG1 4.2Å; L487-I491 HydrophobicContact CD2-CD1 4.46Å; L487-I491 HydrophobicContact CG-CD1 3.83Å; L487-I491 HydrophobicContact CG-CG1 4.49Å; L487-I491 WeakPolarHBondContact O-CG1 3.38Å; L487-I491 PolarHBondContact O-N 3.25Å; L487-L662 HydrophobicContact CD1-CD2 4.17Å; L487-L662 HydrophobicContact CD2-CD2 4.16Å
488F96.2Very high92.4Very high3 Ų310.3 Ų10.31%0.0135%0.054CC..Hα-helixtrans-55.1-46.3175.5-171.4-85.3000111.3I368 T371 F372 I375 N435 Y439 L442 S484 G485 Q490 I491 Y492I368-F488 HydrophobicContact CG2-CZ 4.28Å; T371-F488 HydrophobicContact CG2-CD1 4.41Å; T371-F488 HydrophobicContact CG2-CD2 3.49Å; T371-F488 VanDerWaalsContact CG2-CD2 3.49Å; T371-F488 HydrophobicContact CG2-CE2 3.61Å; T371-F488 HydrophobicContact CG2-CG 3.91Å; T371-F488 HydrophobicContact CG2-CZ 4.13Å; F372-F488 HydrophobicContact CB-CE2 4.06Å; I375-F488 HydrophobicContact CD1-CB 4Å; I375-F488 HydrophobicContact CD1-CD2 4Å; I375-F488 HydrophobicContact CD1-CG 4.42Å; N435-F488 VanDerWaalsContact OD1-CE1 3.24Å; N435-F488 WeakPolarHBondContact OD1-CE1 3.35Å; Y439-F488 HydrophobicContact CD2-CB 3.96Å; Y439-F488 AromaticContact CD2-CD1 3.61Å; Y439-F488 HydrophobicContact CD2-CD1 3.61Å; Y439-F488 AromaticContact CD2-CD2 3.42Å; Y439-F488 HydrophobicContact CD2-CD2 3.42Å; Y439-F488 VanDerWaalsContact CD2-CD2 3.42Å; Y439-F488 AromaticContact CD2-CE1 3.9Å; Y439-F488 HydrophobicContact CD2-CE1 3.9Å; Y439-F488 AromaticContact CD2-CE2 3.75Å; Y439-F488 HydrophobicContact CD2-CE2 3.75Å; Y439-F488 AromaticContact CD2-CG 3.37Å; Y439-F488 HydrophobicContact CD2-CG 3.37Å; Y439-F488 AromaticContact CD2-CZ 3.98Å; Y439-F488 HydrophobicContact CD2-CZ 3.98Å; Y439-F488 HydrophobicContact CE2-CB 3.83Å; Y439-F488 HydrophobicContact CE2-CD1 4.34Å; Y439-F488 AromaticContact CE2-CD2 3.56Å; Y439-F488 HydrophobicContact CE2-CD2 3.56Å; Y439-F488 HydrophobicContact CE2-CE2 4.21Å; Y439-F488 AromaticContact CE2-CG 3.65Å; Y439-F488 HydrophobicContact CE2-CG 3.65Å; Y439-F488 HydrophobicContact CG-CB 4.44Å; Y439-F488 AromaticContact CG-CD1 3.85Å; Y439-F488 HydrophobicContact CG-CD1 3.85Å; Y439-F488 HydrophobicContact CG-CD2 4.44Å; Y439-F488 HydrophobicContact CG-CE1 4.21Å; Y439-F488 AromaticContact CG-CG 4Å; Y439-F488 HydrophobicContact CG-CG 4Å; L442-F488 HydrophobicContact CD1-CE2 4.15Å; L442-F488 HydrophobicContact CD1-CZ 4.05Å; S484-F488 PolarHBondContact O-N 2.87Å; S484-F488 VanDerWaalsContact O-N 3.1Å; G485-F488 PolarHBondContact O-N 3.3Å; F488-Q490 PolarHBondContact O-N 3.46Å; F488-I491 PolarHBondContact O-N 3.35Å; F488-Y492 VanDerWaalsContact O-CB 3.28Å; F488-Y492 WeakPolarHBondContact O-CB 3.41Å; F488-Y492 PolarHBondContact O-N 3.31Å
489H94.9Very high91.2Very high2 Ų215.1 Ų15.11%0.0098%0.076CC..Hα-helixtrans-60.3-46.4178.9-179.3-80.2000112.8F48 N429 T430 N435 G485 Y486 L487 F493F48-H489 HydrophobicContact CD1-CB 3.69Å; F48-H489 AromaticContact CD1-CG 3.91Å; F48-H489 HydrophobicContact CE1-CB 3.94Å; F48-H489 AromaticContact CE1-CG 3.76Å; N429-H489 PolarHBondContact OD1-NE2 3.44Å; T430-H489 PolarHBondContact O-NE2 3.14Å; N435-H489 WeakPolarHBondContact ND2-CA 3.34Å; N435-H489 PolarHBondContact ND2-CD2 3.05Å; G485-H489 WeakPolarHBondContact O-CB 3.26Å; G485-H489 PolarHBondContact O-N 2.85Å; Y486-H489 PolarHBondContact O-N 3.24Å; L487-H489 VanDerWaalsContact C-N 3.3Å; L487-H489 PolarHBondContact O-N 2.94Å; H489-F493 WeakPolarHBondContact O-CB 3.34Å; H489-F493 PolarHBondContact O-N 3.45Å; H489-F493 VanDerWaalsContact O-N 3.12Å
490Q93.6Very high89.8Confident3 Ų316.2 Ų16.21%0.0149%0.085CC..Hα-helixtrans-69.1-40.8-179.1-60-37-5900112.9A406 I410 N429 Y486 L487 F488 F493 C494A406-Q490 HydrophobicContact CB-CB 4.03Å; A406-Q490 HydrophobicContact CB-CG 3.85Å; I410-Q490 HydrophobicContact CD1-CB 4.12Å; I410-Q490 HydrophobicContact CG1-CB 3.86Å; I410-Q490 HydrophobicContact CG1-CG 4.11Å; N429-Q490 PolarHBondContact ND2-OE1 2.89Å; Y486-Q490 HydrophobicContact CD2-CG 4.2Å; Y486-Q490 HydrophobicContact CE1-CG 4.22Å; Y486-Q490 HydrophobicContact CE2-CG 3.73Å; Y486-Q490 WeakPolarHBondContact O-CG 3.24Å; Y486-Q490 PolarHBondContact O-N 3.1Å; L487-Q490 PolarHBondContact O-N 2.86Å; F488-Q490 PolarHBondContact O-N 3.46Å; Q490-F493 PolarHBondContact O-N 3.21Å; Q490-C494 PolarHBondContact O-N 2.93Å; Q490-C494 PolarHBondContact O-SG 3.31Å
491I93.9Very high87.8Confident0 Ų019.1 Ų19.10%010%0.101CC..Hα-helixtrans-67.8-46.9179.6-69.3178.8000110.5T371 I375 L409 L487 F488 F493 C494 I495 I658 L662T371-I491 HydrophobicContact CG2-CB 3.99Å; T371-I491 HydrophobicContact CG2-CG2 3.78Å; I375-I491 HydrophobicContact CD1-CD1 4.03Å; I375-I491 HydrophobicContact CG1-CD1 3.9Å; L409-I491 HydrophobicContact CD1-CD1 4.26Å; L409-I491 HydrophobicContact CD1-CG1 3.88Å; L487-I491 HydrophobicContact CD1-CD1 3.72Å; L487-I491 HydrophobicContact CD1-CG1 4.2Å; L487-I491 HydrophobicContact CD2-CD1 4.46Å; L487-I491 HydrophobicContact CG-CD1 3.83Å; L487-I491 HydrophobicContact CG-CG1 4.49Å; L487-I491 WeakPolarHBondContact O-CG1 3.38Å; L487-I491 PolarHBondContact O-N 3.25Å; F488-I491 PolarHBondContact O-N 3.35Å; I491-F493 VanDerWaalsContact C-N 3.29Å; I491-F493 PolarHBondContact O-N 3.03Å; I491-C494 WeakPolarHBondContact O-CB 3.32Å; I491-C494 PolarHBondContact O-N 3.27Å; I491-C494 VanDerWaalsContact O-N 3.08Å; I491-I495 HydrophobicContact CG2-CD1 3.87Å; I491-I495 HydrophobicContact CG2-CG1 4.38Å; I491-I495 PolarHBondContact O-N 3.48Å; I491-I658 HydrophobicContact CD1-CG2 3.89Å; I491-I658 HydrophobicContact CG1-CG2 4.42Å; I491-I658 HydrophobicContact CG2-CD1 3.77Å; I491-I658 HydrophobicContact CG2-CG1 4.39Å; I491-I658 HydrophobicContact CG2-CG2 4Å; I491-L662 HydrophobicContact CD1-CD1 4.03Å; I491-L662 HydrophobicContact CD1-CD2 4.2Å; I491-L662 HydrophobicContact CD1-CG 4.44Å
492Y93.3Very high85.5Confident13 Ų1324.1 Ų24.15%0.05113%0.128CC..Hα-helixtrans-56.7-43.1175.6173.1-90.6000112P367 I368 T371 N435 F488 C494 I495 N496P367-Y492 HydrophobicContact CB-CD2 3.88Å; P367-Y492 HydrophobicContact CB-CE2 3.73Å; I368-Y492 HydrophobicContact CD1-CD2 4.37Å; I368-Y492 HydrophobicContact CD1-CE2 3.55Å; I368-Y492 HydrophobicContact CG1-CD2 3.9Å; I368-Y492 HydrophobicContact CG1-CE2 3.57Å; T371-Y492 WeakPolarHBondContact OG1-CA 3.22Å; N435-Y492 HydrophobicContact CB-CD1 3.85Å; N435-Y492 HydrophobicContact CB-CE1 3.84Å; N435-Y492 WeakPolarHBondContact ND2-CD1 3.43Å; F488-Y492 VanDerWaalsContact O-CB 3.28Å; F488-Y492 WeakPolarHBondContact O-CB 3.41Å; F488-Y492 PolarHBondContact O-N 3.31Å; Y492-C494 VanDerWaalsContact C-N 3.27Å; Y492-C494 PolarHBondContact O-N 3.37Å; Y492-I495 PolarHBondContact O-N 2.95Å; Y492-N496 HydrophobicContact CD1-CB 4.23Å; Y492-N496 HydrophobicContact CE1-CB 3.89Å; Y492-N496 HydrophobicContact CE2-CB 4.18Å; Y492-N496 WeakPolarHBondContact O-CB 3.42Å; Y492-N496 PolarHBondContact O-N 3.47Å
493F90.6Very high82.5Confident27 Ų2732.8 Ų32.812%0.11817%0.166CC..Hα-helixtrans-57.2-40.7177.2174.2-89.5000112.1I410 F413 V427 N429 H489 Q490 I491 S497I410-F493 HydrophobicContact CD1-CD1 3.54Å; I410-F493 HydrophobicContact CD1-CE1 4.12Å; I410-F493 HydrophobicContact CD1-CG 4.38Å; F413-F493 HydrophobicContact CD1-CE1 4.14Å; F413-F493 HydrophobicContact CE1-CE1 4.14Å; V427-F493 HydrophobicContact CB-CZ 4.33Å; V427-F493 HydrophobicContact CG1-CE2 3.71Å; V427-F493 HydrophobicContact CG1-CZ 3.55Å; N429-F493 HydrophobicContact CB-CE1 4.11Å; N429-F493 HydrophobicContact CB-CE2 4.09Å; N429-F493 HydrophobicContact CB-CZ 3.81Å; H489-F493 WeakPolarHBondContact O-CB 3.34Å; H489-F493 PolarHBondContact O-N 3.45Å; H489-F493 VanDerWaalsContact O-N 3.12Å; Q490-F493 PolarHBondContact O-N 3.21Å; I491-F493 VanDerWaalsContact C-N 3.29Å; I491-F493 PolarHBondContact O-N 3.03Å; F493-S497 WeakPolarHBondContact O-CB 3.41Å; F493-S497 PolarHBondContact O-N 3.06Å; F493-S497 PolarHBondContact O-OG 3.05Å
494C89.9Confident79.4Confident1 Ų140.1 Ų40.11%0.00721%0.205CC..Hα-helixtrans-65.6-52.5175.6-59.90000111.6F413 Q490 I491 Y492 S497 Y653F413-C494 HydrophobicContact CD2-CB 4.18Å; F413-C494 HydrophobicContact CG-CB 4.37Å; Q490-C494 PolarHBondContact O-N 2.93Å; Q490-C494 PolarHBondContact O-SG 3.31Å; I491-C494 WeakPolarHBondContact O-CB 3.32Å; I491-C494 PolarHBondContact O-N 3.27Å; I491-C494 VanDerWaalsContact O-N 3.08Å; Y492-C494 VanDerWaalsContact C-N 3.27Å; Y492-C494 PolarHBondContact O-N 3.37Å; C494-S497 PolarHBondContact O-N 2.91Å; C494-Y653 HydrophobicContact CB-CE1 3.85Å
495I89.4Confident76.1Confident0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-65.6-44.8-176.3-56.8171.4000111.7P367 L370 T371 I491 Y492 S497 I498 R650 Y653 V654 I658P367-I495 HydrophobicContact CB-CB 4.19Å; P367-I495 HydrophobicContact CB-CG2 3.8Å; P367-I495 HydrophobicContact CG-CG2 4.28Å; L370-I495 HydrophobicContact CB-CD1 4.1Å; L370-I495 HydrophobicContact CD1-CG2 4.09Å; T371-I495 WeakPolarHBondContact OG1-CD1 3.38Å; I491-I495 HydrophobicContact CG2-CD1 3.87Å; I491-I495 HydrophobicContact CG2-CG1 4.38Å; I491-I495 PolarHBondContact O-N 3.48Å; Y492-I495 PolarHBondContact O-N 2.95Å; I495-S497 PolarHBondContact O-N 3.32Å; I495-I498 WeakPolarHBondContact O-CB 3.45Å; I495-I498 PolarHBondContact O-N 3.2Å; I495-I498 VanDerWaalsContact O-N 3.08Å; I495-R650 HydrophobicContact CG2-CB 3.89Å; I495-R650 HydrophobicContact CG2-CG 3.95Å; I495-Y653 HydrophobicContact CG1-CD1 4.47Å; I495-V654 HydrophobicContact CD1-CG2 3.47Å; I495-V654 VanDerWaalsContact CD1-CG2 3.47Å; I495-V654 HydrophobicContact CG1-CG2 3.96Å; I495-I658 HydrophobicContact CD1-CD1 3.68Å; I495-I658 HydrophobicContact CG1-CD1 3.47Å; I495-I658 VanDerWaalsContact CG1-CD1 3.47Å
496N87.3Confident73Confident71 Ų7153.5 Ų53.538%0.3828%0.275SS..Hα-helixtrans-65.5-25.4-176.7-172.948.6000112.6P367 Y492 I498P367-N496 HydrophobicContact CB-CB 4.12Å; P367-N496 HydrophobicContact CG-CB 4.22Å; Y492-N496 HydrophobicContact CD1-CB 4.23Å; Y492-N496 HydrophobicContact CE1-CB 3.89Å; Y492-N496 HydrophobicContact CE2-CB 4.18Å; Y492-N496 WeakPolarHBondContact O-CB 3.42Å; Y492-N496 PolarHBondContact O-N 3.47Å; N496-I498 VanDerWaalsContact C-N 3.3Å
497S83.8Confident70Confident26 Ų2662.7 Ų62.718%0.18232%0.316CS..THydrogen-bonded Turntrans-75.7-16.4176.4-62.40000113.7F493 C494 I495F493-S497 WeakPolarHBondContact O-CB 3.41Å; F493-S497 PolarHBondContact O-N 3.06Å; F493-S497 PolarHBondContact O-OG 3.05Å; C494-S497 PolarHBondContact O-N 2.91Å; I495-S497 PolarHBondContact O-N 3.32Å
498I83.3Confident66.8Low4 Ų466.3 Ų66.32%0.02135%0.353CS..BIsolated β-bridgetrans-80135.9176.4-61169000109.9F413 I495 N496 P649 R650 Y653F413-I498 HydrophobicContact CE2-CG1 4.46Å; I495-I498 WeakPolarHBondContact O-CB 3.45Å; I495-I498 PolarHBondContact O-N 3.2Å; I495-I498 VanDerWaalsContact O-N 3.08Å; N496-I498 VanDerWaalsContact C-N 3.3Å; I498-P649 HydrophobicContact CG2-CB 4.06Å; I498-P649 HydrophobicContact CG2-CG 4.25Å; I498-R650 HydrophobicContact CB-CG 4.11Å; I498-R650 HydrophobicContact CG2-CG 4.06Å; I498-R650 PolarHBondContact O-NE 3.45Å; I498-R650 VanDerWaalsContact O-NE 3.08Å; I498-R650 PolarHBondContact O-NH2 2.9Å; I498-R650 VanDerWaalsContact O-NH2 3.1Å; I498-Y653 HydrophobicContact CD1-CD1 3.58Å; I498-Y653 HydrophobicContact CD1-CD2 3.81Å; I498-Y653 HydrophobicContact CD1-CE1 4.24Å; I498-Y653 HydrophobicContact CD1-CE2 4.42Å; I498-Y653 HydrophobicContact CD1-CG 3.34Å
499Q68.8Low63.5Low101 Ų10171.4 Ų71.447%0.47239%0.389SS..PPolyproline II helixtrans-63.3131.7178.8177.9168.7-26.300112P649Q499-P649 WeakPolarHBondContact O-CG 3.23Å
500S61.9Low60.5Low34 Ų3477.8 Ų77.824%0.23842%0.423CS..PPolyproline II helixtrans-87.5135.116854.50000110.4N502S500-N502 PolarHBondContact O-N 3.27Å
501N51.9Low57.6Low88 Ų8884.6 Ų84.647%0.47146%0.459SS..  trans-77.246-177.4-80.8-23.4000114.4K503 D647N501-K503 PolarHBondContact O-N 3.11Å; N501-K503 VanDerWaalsContact O-N 3.14Å; N501-D647 PolarHBondContact ND2-O 3.41Å
502N44Very low54.5Low107 Ų10792 Ų9257%0.57250%0.499SS*.  trans-86.286.8171.8-72.826.8000109.8S500 N504S500-N502 PolarHBondContact O-N 3.27Å; N502-N504 PolarHBondContact O-N 3.03Å; N502-N504 VanDerWaalsContact O-N 3.11Å
503K32.3Very low51.7Low181 Ų18196.1 Ų96.179%0.78753%0.53SS*.  trans-67.8100.3165.5-75.2176.8-179.21660109.2N501 N505N501-K503 PolarHBondContact O-N 3.11Å; N501-K503 VanDerWaalsContact O-N 3.14Å; K503-N505 PolarHBondContact O-N 3.48Å
504N30.4Very low48.9Very low156 Ų156101.3 Ų101.383%0.83456%0.559SS**  trans-68.882160.6-80.7-2000109N502 N506N502-N504 PolarHBondContact O-N 3.03Å; N502-N504 VanDerWaalsContact O-N 3.11Å; N504-N506 PolarHBondContact O-N 3.24Å
505N27.4Very low46.1Very low136 Ų136107.4 Ų107.473%0.72759%0.592SS**  trans-67.978.3166-78-8.4000109K503K503-N505 PolarHBondContact O-N 3.48Å
506N28.5Very low43.3Very low155 Ų155114.2 Ų114.283%0.82963%0.628SS**  trans-163.682.3165.4-101.5-31.4000111.3N504N504-N506 PolarHBondContact O-N 3.24Å
507K32.9Very low40.7Very low209 Ų209115 Ų11591%0.90964%0.639SS**SBendtrans-159.197.5148.6-114174.9-173-176.30110.9
508G29.1Very low38.3Very low75 Ų75120.3 Ų120.377%0.77367%0.665SS**  trans42.2115.5148.600000119.6N510G508-N510 PolarHBondContact O-N 3.25Å
509S27.1Very low35.9Very low111 Ų111126.6 Ų126.678%0.77670%0.699SS**  trans-42.5136.8144.3-51.90000111.1
510N30.7Very low34.3Very low136 Ų136128 Ų12873%0.72771%0.71SS**  -172.1127.7108.7-91.2-12000113.1G508G508-N510 PolarHBondContact O-N 3.25Å
511N32.8Very low33.1Very low145 Ų145132 Ų13278%0.77573%0.729SS**  trans72.2106.2142.5-57-10.6000120.5
512N29.4Very low32.3Very low156 Ų156133.3 Ų133.383%0.83474%0.735SS**  trans-38.1143.3147-59-26.8000112.9
513S33.7Very low31.7Very low100 Ų100134.8 Ų134.870%0.69974%0.743SS**  172.5138.999.3-72.20000114
514N32.4Very low31.8Very low136 Ų136133.6 Ų133.673%0.72775%0.745SS**  trans67.5101.1145.2-62.7-9.4000122
515N31Very low31.8Very low129 Ų129130.7 Ų130.769%0.6974%0.737SS**  68131.3110.1-65.1-4.5000122.9
516N31.1Very low32Very low143 Ų143131.9 Ų131.977%0.76574%0.744SS**  trans66.4132.9140.5-63.51.6000117.3
517S33Very low32.1Very low86 Ų86131.3 Ų131.360%0.60174%0.741SS**  cis-179.8159.621.5-120.40000108.9
518N33.2Very low32.1Very low139 Ų139128.7 Ų128.774%0.74374%0.737SS**  trans66147.7152.1-58.7-3.8000117.3
519N32.2Very low32Very low136 Ų136130.3 Ų130.373%0.72774%0.736SS**  cis168.2164.2-23.3-117.33.3000104.1
520N35Very low32.1Very low130 Ų130129.9 Ų129.970%0.69573%0.733SS**  trans71.6142.9167.8-6122.8000115.9
521D36.9Very low32Very low119 Ų119130.4 Ų130.464%0.63674%0.736SS**  cis-161.2156.5-6.6-111.7-28.5000112.9
522N34.6Very low31.8Very low115 Ų115130.3 Ų130.362%0.61574%0.735SS**  trans58.4115.5148.6-69.1-51.9000123.2
523N32Very low31.8Very low137 Ų137127.9 Ų127.973%0.73373%0.726SS**  36.8130.6114.1-55.1-42.1000118.2
524N33.4Very low31.6Very low156 Ų156129.9 Ų129.983%0.83473%0.729SS**  -168.6168.355.1-148.4-12000113.1
525S30.6Very low31.7Very low95 Ų95128.2 Ų128.266%0.66473%0.728SS**  trans-82.5146.3-173.7-46.10000115
526N33.3Very low31.8Very low162 Ų162128.5 Ų128.587%0.86673%0.729SS**  -174.9155.9119.7-98.6-34.7000115
527N28.7Very low32Very low142 Ų142128 Ų12876%0.75973%0.727SS**  trans-76.5143.9-173-61.9-59.9000113.9
528N33Very low32.1Very low155 Ų155130.9 Ų130.983%0.82974%0.736SS**  -176.7131.7110.4-94.6-29.9000114.6
529S27.9Very low32.2Very low109 Ų109129.2 Ų129.276%0.76274%0.735SS**  trans16111.4144.6169.30000119.5
530S30.2Very low32.3Very low101 Ų101129 Ų12971%0.70673%0.734SS**  172.1137.7108.548.10000115.1
531N26.8Very low32.2Very low147 Ų147128.4 Ų128.479%0.78673%0.73SS**  trans56.8162.8146.5-66-17.5000123.2
532N29.7Very low32.1Very low144 Ų144132 Ų13277%0.7774%0.737SS**  trans73.9144.4165.3-66-5.1000117.3
533T28.6Very low32.1Very low104 Ų104131.7 Ų131.764%0.63874%0.735SS**  cis164.1155.5-29.732.30000105.9
534N30.4Very low32.1Very low143 Ų143134.3 Ų134.377%0.76574%0.74SS**  trans76.8151.8170.4-50.1-22.9000114.6
535S34.7Very low32.1Very low100 Ų100131.8 Ų131.870%0.69973%0.734SS**  cis-143.9144.324.2-53.40000114.5
536N32.9Very low32.2Very low135 Ų135134.2 Ų134.272%0.72274%0.74SS**  49140.3128.4-56.9-3.2000120.7
537D35.3Very low32.2Very low134 Ų134133.9 Ų133.972%0.71774%0.738SS**  -153.814757.4-90.5-46.1000115.9
538N34.6Very low32.3Very low146 Ų146134.7 Ų134.778%0.78174%0.742SS**  trans29.2134141.6-54.4-41.1000120.5
539S35.3Very low32.3Very low103 Ų103139.1 Ų139.172%0.7275%0.747SS**  cis-155.5-171.38.561.30000108.8
540N34.7Very low32.4Very low132 Ų132138.1 Ų138.171%0.70674%0.74SS**  cis-151.9-167.711.7-148.7-46.9000111.1
541N32.4Very low32.4Very low117 Ų117140.1 Ų140.163%0.62674%0.743SS**  trans-86157.1-171.2-69.5-54.9000113.9
542Y34.8Very low32.6Very low196 Ų196137.8 Ų137.877%0.76974%0.738SS**  -160.1127.961.3-103.6-89.2000116.6
543N35.6Very low32.7Very low108 Ų108136.7 Ų136.758%0.57874%0.737SS**  trans49.2118.5143-69.9-12.5000122
544K31.9Very low32.8Very low192 Ų192138.9 Ų138.984%0.83575%0.745SS**  77.6143.974.4-85.1179174.1171.60113.4
545S33.8Very low32.9Very low103 Ų103138 Ų13872%0.7274%0.74SS**  cis-158.4136.65.233.60000109.1
546N31.5Very low32.8Very low146 Ų146140.1 Ų140.178%0.78174%0.743SS**  58.7114.383.2-93.116.5000117.2
547N34.6Very low32.8Very low155 Ų155140.1 Ų140.183%0.82974%0.744SS**  -177.4153.5104.1-91.5-20.9000114.3
548N30.7Very low32.7Very low158 Ų158139.4 Ų139.485%0.84575%0.749SS**  trans-104.1157.8171.8-60.3-46.4000110.3
549R31.5Very low32.6Very low249 Ų249139.1 Ų139.194%0.9475%0.747SS**  trans-171.5178130.1-106.5169-174.9-179.71112.5
550S30.7Very low32.5Very low88 Ų88143.7 Ų143.762%0.61575%0.754SS**  trans-117.7172.5-151.544.70000114.7
551D30.8Very low32.3Very low142 Ų142144.6 Ų144.676%0.75976%0.759SS**  trans115134.8141.4-60.3-49.9000121.8
552S30.7Very low32.4Very low98 Ų98146.6 Ų146.669%0.68577%0.768SS**  trans52.4111.215058.10000122.8
553T31.3Very low32.2Very low121 Ų121141.4 Ų141.474%0.74276%0.76SS**  29.4131.1123.357.70000119.3
554N30.6Very low32Very low151 Ų151142.8 Ų142.881%0.80777%0.768SS**  -169.4168.366.6-119.5-8.8000113.3
555D33.2Very low31.9Very low125 Ų125139.4 Ų139.467%0.66876%0.759SS**  trans-72153.9-176.6-55.6-67.1000115.4
556N32.6Very low31.7Very low143 Ų143141.3 Ų141.377%0.76576%0.761SS**  -174.3136.7105.5-100.5-65.4000116.2
557N33.5Very low31.9Very low136 Ų136139.9 Ų139.973%0.72776%0.762SS**  trans-6141.5153.1-60.3-63.9000118.7
558S32.9Very low31.6Very low118 Ų118140.2 Ų140.283%0.82576%0.764SS**  -171.6146.980.445.10000117.1
559N31.5Very low31.8Very low141 Ų141138.3 Ų138.375%0.75476%0.763SS**  trans-33.4145.7172.1-57.7-34.5000120.7
560K33.6Very low31.7Very low198 Ų198133.4 Ų133.486%0.86176%0.755SS**  177.5122.9110.5-91.2160.2-177.4179.10108.6
561N29.8Very low31.9Very low151 Ų151137.1 Ų137.181%0.80777%0.768SS**  72.5147.366.7-88.23.7000116.1
562I34.9Very low31.8Very low160 Ų160137.6 Ų137.682%0.82177%0.771SS**  trans99.6111.3-175.6-57.6157000111.7
563S31.7Very low32.1Very low86 Ų86140.9 Ų140.960%0.60178%0.781SS**  cis98134.916.685.20000116.8
564N31.2Very low32Very low137 Ų137142.8 Ų142.873%0.73379%0.786SS**  trans77.4153.8162.4-56.6-9.3000117.1
565N29.3Very low32.2Very low121 Ų121141.3 Ų141.365%0.64779%0.788SS**  cis-171159.3-21-103.4-11.6000110.2
566N29.8Very low32Very low144 Ų144143.4 Ų143.477%0.7780%0.799SS**  trans63.8164.8156.8-53.6-12.7000116.6
567S35.4Very low32Very low115 Ų115140.5 Ų140.580%0.80480%0.803SS**  cis-149.2167.518.9-54.10000113.2
568N27.8Very low31.8Very low163 Ų163140.6 Ų140.687%0.87280%0.804SS**  trans-70.7157.5173-54.8-35.9000113.7
569S35.5Very low31.6Very low117 Ų117141.7 Ų141.782%0.81880%0.798SS**  trans-156.8133.5130.653.20000111
570N28.4Very low31.7Very low146 Ų146140.2 Ų140.278%0.78180%0.799SS**  trans-72.6165.2162.5-61.2-40.9000108.8
571D36.6Very low31.5Very low166 Ų166137.3 Ų137.389%0.88879%0.793SS**  -158.9140.8123.9-90.5-33.6000110.1
572N28.8Very low31.8Very low153 Ų153138 Ų13882%0.81880%0.797SS**  trans-88.6153.3167.6-68.1-58.1000108
573D35.9Very low31.6Very low166 Ų166135.1 Ų135.189%0.88879%0.791SS**  trans-153.7133.4138.2-107.6-29.8000112.8
574N28.3Very low31.4Very low161 Ų161138.1 Ų138.186%0.86180%0.8SS**  trans-90.3142.7171.1-84.6-44.1000109.2
575S35.2Very low31.5Very low120 Ų120139.3 Ų139.384%0.83981%0.807SS**  trans-150.6120.2153.835.10000112
576N28.7Very low31.5Very low170 Ų170140.1 Ų140.191%0.90981%0.811SS**  trans-76.5145.3171-77.7-36.9000110.4
577G33.9Very low31.8Very low81 Ų81141 Ų14184%0.83582%0.816SS**  trans-132.6112.2174.300000111.5
578N29.6Very low31.5Very low139 Ų139142.7 Ų142.774%0.74382%0.816SS**  trans-78.8145.9-168.1-83.6-25.9000116.1
579I27.7Very low31.9Very low140 Ų140140.6 Ų140.672%0.71881%0.814SS**  54.3116.6123-52166.3000120.7
580S34.3Very low31.7Very low110 Ų110141.1 Ų141.177%0.76981%0.808SS**  -176.9118.8126.242.50000108.7
581N28.7Very low32Very low138 Ų138140.5 Ų140.574%0.73880%0.804SS**  46.9112.284.4-76.46.5000114.5
582D35.5Very low32Very low165 Ų165138.6 Ų138.688%0.88279%0.794SS**  -163.2168.2105.2-105.1-23.2000114.2
583S30.7Very low32.2Very low100 Ų100137.3 Ų137.370%0.69979%0.787SS**  trans-118.8161-158.2-50.60000113.7
584N28.3Very low32.2Very low148 Ų148137 Ų13779%0.79179%0.785SS**  trans36123.4151-63.4-16.6000119.9
585N33.5Very low32.2Very low162 Ų162134.4 Ų134.487%0.86678%0.78SS**  -162.4148.7112.1-109.3-34.8000115.2
586N29.4Very low32.2Very low139 Ų139136.4 Ų136.474%0.74378%0.779SS**  trans-72.5159.7168.2-63.7-48.1000111
587N34.8Very low32.2Very low162 Ų162133 Ų13387%0.86677%0.769SS**  -172.1151.3115.4-94.8-30.5000114.2
588N29.9Very low32.2Very low151 Ų151135.5 Ų135.581%0.80776%0.764SS**  trans-66.5157.8179.6-62.6-38.9000113.4
589S36Very low32.4Very low119 Ų119135.2 Ų135.283%0.83276%0.762SS**  -158.2142.9114.5-151.70000113.6
590N31.2Very low32.5Very low128 Ų128135.6 Ų135.668%0.68477%0.765SS**  trans-70.1158.9-178.3-53.5-30.5000113.3
591N35.8Very low32.5Very low133 Ų133136 Ų13671%0.71177%0.768SS**  171141.4100.4-97.1-12.5000114.7
592N35.3Very low32.5Very low125 Ų125136.7 Ų136.767%0.66877%0.772SS**  trans63.8155149.2-55.818000119.5
593D32.8Very low32.4Very low127 Ų127136.6 Ų136.668%0.67977%0.771SS**  cis-168149.7-32.7-97.8-36000107.2
594N35.9Very low32.4Very low158 Ų158138.8 Ų138.885%0.84578%0.775SS**  trans139.694.1147.7-74.4-36.3000113.5
595S29.9Very low32.7Very low107 Ų107139.6 Ų139.675%0.74878%0.78SS**  trans-74.6139.3153.445.20000110.9
596I34.4Very low32.6Very low162 Ų162137.5 Ų137.583%0.83178%0.778SS**  trans-137.7113.3138.7-62.5-173.3000108.3
597S28.4Very low32.8Very low100 Ų100134.3 Ų134.370%0.69978%0.778SS**  trans-104.6139158.648.20000108.8
598N33.9Very low32.6Very low133 Ų133133.2 Ų133.271%0.71177%0.772SS**  trans-163.3108.9159.4-95.5-36.4000106.1
599N33.9Very low32.7Very low132 Ų132131.7 Ų131.771%0.70676%0.764SS**  92.6109.371.2-89.4-36.4000112.2
600N30.1Very low32.6Very low148 Ų148132.4 Ų132.479%0.79176%0.758SS**  trans14132.7144.6-60.3-20.5000118.7
601S33.3Very low32.6Very low118 Ų118133.2 Ų133.283%0.82576%0.762SS**  -161.9134.1107-81.20000112.2
602N29.8Very low32.6Very low153 Ų153132.2 Ų132.282%0.81877%0.766SS**  trans-63.7150.6159.1-67.4-38.7000109.2
603N33.6Very low32.4Very low163 Ų163132.9 Ų132.987%0.87277%0.77SS**  -157.9127.2129.5-103.8-20.6000111.5
604N30.4Very low32.6Very low147 Ų147133.8 Ų133.879%0.78677%0.774SS**  trans-67.4151160.3-61-45.7000108.6
605N34.7Very low32.5Very low165 Ų165132 Ų13288%0.88277%0.765SS**  trans-155.4112139.7-104.2-16.4000111.5
606S31.2Very low32.9Very low118 Ų118133.3 Ų133.383%0.82576%0.764SS**  trans-71.9149.9156.547.60000110.8
607G34.4Very low33Very low72 Ų72131.8 Ų131.874%0.74276%0.757SS**  trans153.975.7-177.900000109.6
608N30.3Very low33.4Very low139 Ų139131.4 Ų131.474%0.74375%0.754SS**  77131.363.8-139.453.2000113.1
609D31.4Very low33.4Very low119 Ų119131.2 Ų131.264%0.63675%0.753SS**  trans88.8136.1155.1-53.2-42.5000123.7
610N34.4Very low33.6Very low133 Ų133131.1 Ų131.171%0.71175%0.753SS**  trans86.3110.4156.2-53.6-49.2000118.2
611N29.9Very low33.8Very low145 Ų145130.2 Ų130.278%0.77575%0.748SS**  84.7146.654.7-78.1-34000114.4
612S36.1Very low34Very low113 Ų113131 Ų13179%0.7974%0.743SS**  trans102.395.1179.5-41.70000111.6
613N31Very low34.3Very low139 Ų139127.8 Ų127.874%0.74373%0.732SS**  47.9111.270.6-72-2.2000113.6
614D38.4Very low34.3Very low145 Ų145126.9 Ų126.978%0.77573%0.727SS**  -175.9116.8115.3-84-27.7000106.9
615N33.7Very low34.5Very low121 Ų121126.2 Ų126.265%0.64772%0.724SS**  74.5143.666.6-73.5-35.1000113.9
616N36.9Very low34.6Very low135 Ų135123.8 Ų123.872%0.72271%0.711SS**  trans78.3142167.2-51.2-10.3000116.5
617D37.5Very low34.7Very low130 Ų130125.1 Ų125.170%0.69571%0.709SS**  cis-165.2159.8-13.9-107.9-27.3000109.9
618S36.5Very low34.7Very low92 Ų92127.7 Ų127.764%0.64372%0.715SS**  trans51.6156143.9-70.10000121.9
619D34.7Very low34.7Very low128 Ų128130.7 Ų130.768%0.68472%0.722SS**  cis168.1165.5-20.4-97-49.6000104.1
620N37.5Very low34.9Very low131 Ų131135 Ų13570%0.70174%0.735SS**  trans99.5112.4166.2-54.8-67.2000115.2
621N34.4Very low34.6Very low129 Ų129136.9 Ų136.969%0.6975%0.745SS**  69.2134.665.5-58-34.7000109.9
622D37.4Very low34.8Very low135 Ų135133.5 Ų133.572%0.72274%0.744SS**  cis-163.8166.924.4-140.3-43.7000113
623S36.6Very low34.4Very low84 Ų84135.9 Ų135.959%0.58775%0.748SS**  trans53.8116.3144.5-69.90000121.1
624N32.5Very low34.4Very low144 Ų144137 Ų13777%0.7775%0.754SS**  59.1115.288.8-71.2-23.1000114.8
625D35.8Very low34Very low133 Ų133137.3 Ų137.371%0.71176%0.756SS**  171.5145.885.4-115.6-5.4000116.6
626N35.8Very low33.9Very low114 Ų114139.4 Ų139.461%0.6177%0.767SS**  trans47.9112.3142.2-70.9-51.4000124.4
627N32.9Very low33.5Very low147 Ų147137.9 Ų137.979%0.78677%0.767SS**  41.1116.5121.3-72.8-55.6000120.6
628S34.4Very low33.2Very low125 Ų125136.9 Ų136.987%0.87477%0.77SS**  -172.7145.5112.839.90000114.4
629K31.1Very low32.8Very low203 Ų203139.1 Ų139.188%0.88378%0.775SS**  trans-74.6140.3174-65.3165.4175.51690111
630K34.9Very low32.5Very low209 Ų209139.4 Ų139.491%0.90978%0.776SS**  trans-165.6144.7130.8-110163.8-173177.60112.9
631N29.4Very low32.1Very low173 Ų173140.3 Ų140.393%0.92578%0.781SS**  trans-67.1144.2177.7-64.8-19.6000111.5
632G32.8Very low31.9Very low74 Ų74141.3 Ų141.376%0.76379%0.787SS**  trans-164106.416600000109.8N634G632-N634 PolarHBondContact O-N 3.15Å
633N28Very low31.7Very low163 Ų163139 Ų13987%0.87278%0.781SS**  trans-58.2131169.9-80.5-17.7000109.2
634N32.1Very low31.8Very low162 Ų162142.4 Ų142.487%0.86679%0.792SS**  trans-154.5134.9142.8-100.6-29.7000110.6G632G632-N634 PolarHBondContact O-N 3.15Å
635N28.5Very low32.7Very low152 Ų152138.1 Ų138.181%0.81377%0.769SS**  trans-65.2139.7175.5-57.3-50.2000109.7
636N32Very low33.3Very low164 Ų164139.3 Ų139.388%0.87778%0.776SS**  trans-163.8115.9140.3-100-25.9000112.7
637S28.5Very low34.7Very low103 Ų103140 Ų14072%0.7278%0.78SS**  trans33.5103.3144-151.80000119.5
638S31.7Very low37.1Very low109 Ų109133 Ų13376%0.76274%0.742SS**  trans-124.5119.5146560000108.8N640S638-N640 PolarHBondContact O-N 3.09Å; S638-N640 VanDerWaalsContact O-N 3.15Å
639N27.1Very low39.5Very low140 Ų140128.7 Ų128.775%0.74971%0.711SS**  trans-65.6112.8-173.7-69.2-22.3000111.1
640N29.1Very low42.3Very low133 Ų133120.2 Ų120.271%0.71167%0.674SS**  trans-102.4101.2164.2-95.4-27.1000108.5S638 N642S638-N640 PolarHBondContact O-N 3.09Å; S638-N640 VanDerWaalsContact O-N 3.15Å; N640-N642 PolarHBondContact O-N 3.11Å
641D29.1Very low45Very low150 Ų150111.6 Ų111.680%0.80264%0.636SS**  trans-74.457.6172.7-72.6-33.8000111.9S643D641-S643 PolarHBondContact O-N 2.79Å; D641-S643 VanDerWaalsContact O-N 3.1Å
642N30.5Very low47.8Very low151 Ų151106.2 Ų106.281%0.80761%0.607SS**  trans-77.187.5166.9-81.8-17.4000109N640N640-N642 PolarHBondContact O-N 3.11Å
643S33.5Very low50.6Low85 Ų85103.9 Ų103.959%0.59458%0.575SS**  trans-108.8119.1174.747.50000112.5D641D641-S643 PolarHBondContact O-N 2.79Å; D641-S643 VanDerWaalsContact O-N 3.1Å
644N38.2Very low53.6Low156 Ų15696.1 Ų96.183%0.83453%0.534SS*.SBendtrans75.222.2150.1-55.4-10.5000121.1
645N50.8Low56.5Low54 Ų5488.7 Ų88.729%0.28949%0.494SS..  trans-94.8-11.1174.8-89-11.5000116.4D647 N648 Y651N645-D647 PolarHBondContact O-N 2.98Å; N645-N648 PolarHBondContact O-N 3.22Å; N645-Y651 HydrophobicContact CB-CE1 4.45Å
646D48.7Very low59.4Low158 Ų15885.9 Ų85.985%0.84548%0.479SS*.THydrogen-bonded Turntrans-66.9-9.7-172.1-65.4-23.3000115.3
647D65.8Low62.2Low129 Ų12979.4 Ų79.469%0.6945%0.445SS*.THydrogen-bonded Turntrans-1018.8179.9-90.5-42.1000114N501 N645 P649N501-D647 PolarHBondContact ND2-O 3.41Å; N645-D647 PolarHBondContact O-N 2.98Å; D647-P649 WeakPolarHBondContact O-CD 3.44Å
648N82.6Confident65.3Low1 Ų174.5 Ų74.51%0.00541%0.411CS..  trans-104.587.8-175-173.6-13.8000113.4T364 Q365 N645 R650 Y651 D652T364-N648 PolarHBondContact O-ND2 3.31Å; Q365-N648 VanDerWaalsContact CD-CG 3.47Å; Q365-N648 VanDerWaalsContact NE2-CG 3.26Å; Q365-N648 PolarHBondContact NE2-ND2 3.2Å; Q365-N648 VanDerWaalsContact OE1-CG 3.32Å; Q365-N648 PolarHBondContact OE1-OD1 3.25Å; N645-N648 PolarHBondContact O-N 3.22Å; N648-R650 PolarHBondContact O-N 2.97Å; N648-R650 WeakPolarHBondContact OD1-CB 3.43Å; N648-R650 PolarHBondContact OD1-N 2.85Å; N648-R650 VanDerWaalsContact OD1-N 3.15Å; N648-Y651 WeakPolarHBondContact ND2-CB 3.39Å; N648-Y651 PolarHBondContact O-N 3.26Å; N648-Y651 VanDerWaalsContact O-N 3.12Å; N648-Y651 PolarHBondContact OD1-N 2.92Å; N648-D652 PolarHBondContact O-N 3.07Å
649P85.7Confident68.2Low34 Ų3469.4 Ų69.422%0.22138%0.375CS..Hα-helixtrans-65.7-15.2-178.128.4-38.2000114.1I498 Q499 D647 Y653I498-P649 HydrophobicContact CG2-CB 4.06Å; I498-P649 HydrophobicContact CG2-CG 4.25Å; Q499-P649 WeakPolarHBondContact O-CG 3.23Å; D647-P649 WeakPolarHBondContact O-CD 3.44Å; P649-Y653 WeakPolarHBondContact O-CB 3.4Å; P649-Y653 PolarHBondContact O-N 2.78Å
650R89.6Confident71.3Confident24 Ų2468.5 Ų68.59%0.09137%0.365CS..Hα-helixtrans-79.5-45174.3-70.7175.3171.7175.4-4.1111.2Q365 L370 I495 I498 N648 D652 Y653 V654Q365-R650 PolarHBondContact O-NH1 3.26Å; L370-R650 HydrophobicContact CD1-CB 3.64Å; I495-R650 HydrophobicContact CG2-CB 3.89Å; I495-R650 HydrophobicContact CG2-CG 3.95Å; I498-R650 HydrophobicContact CB-CG 4.11Å; I498-R650 HydrophobicContact CG2-CG 4.06Å; I498-R650 PolarHBondContact O-NE 3.45Å; I498-R650 VanDerWaalsContact O-NE 3.08Å; I498-R650 PolarHBondContact O-NH2 2.9Å; I498-R650 VanDerWaalsContact O-NH2 3.1Å; N648-R650 PolarHBondContact O-N 2.97Å; N648-R650 WeakPolarHBondContact OD1-CB 3.43Å; N648-R650 PolarHBondContact OD1-N 2.85Å; N648-R650 VanDerWaalsContact OD1-N 3.15Å; R650-D652 VanDerWaalsContact C-N 3.34Å; R650-Y653 PolarHBondContact O-N 2.83Å; R650-V654 WeakPolarHBondContact O-CG2 3.38Å; R650-V654 PolarHBondContact O-N 3.05Å
651Y91.2Very high74.2Confident29 Ų2963.3 Ų63.311%0.11434%0.338CS..Hα-helixtrans-59.5-45.7171.9166.7-92.4000110.6N645 N648 Y653 V654 C655 F680 N681 L684N645-Y651 HydrophobicContact CB-CE1 4.45Å; N648-Y651 WeakPolarHBondContact ND2-CB 3.39Å; N648-Y651 PolarHBondContact O-N 3.26Å; N648-Y651 VanDerWaalsContact O-N 3.12Å; N648-Y651 PolarHBondContact OD1-N 2.92Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.49Å; Y651-V654 WeakPolarHBondContact O-CA 3.3Å; Y651-V654 WeakPolarHBondContact O-CB 3.44Å; Y651-V654 PolarHBondContact O-N 2.86Å; Y651-C655 WeakPolarHBondContact CE2-SG 3.45Å; Y651-C655 VanDerWaalsContact CZ-SG 3.55Å; Y651-C655 PolarHBondContact O-N 3.35Å; Y651-C655 PolarHBondContact O-SG 3Å; Y651-F680 AromaticContact CD2-CE1 3.96Å; Y651-F680 HydrophobicContact CD2-CE1 3.96Å; Y651-F680 HydrophobicContact CE2-CD1 4.23Å; Y651-F680 HydrophobicContact CE2-CE1 4.11Å; Y651-N681 WeakPolarHBondContact CE2-OD1 3.37Å; Y651-N681 PolarHBondContact OH-ND2 3.16Å; Y651-N681 PolarHBondContact OH-OD1 2.73Å; Y651-N681 VanDerWaalsContact OH-OD1 3.1Å; Y651-L684 HydrophobicContact CD2-CD1 3.98Å; Y651-L684 HydrophobicContact CE2-CD1 4.16Å
652D89Confident77.3Confident59 Ų5956.2 Ų56.232%0.31630%0.3SS..Hα-helixtrans-59.5-42.8177.9-66.9-33.4000112.6N648 R650 V654 N656N648-D652 PolarHBondContact O-N 3.07Å; R650-D652 VanDerWaalsContact C-N 3.34Å; D652-V654 VanDerWaalsContact C-N 3.31Å; D652-V654 PolarHBondContact O-N 2.81Å; D652-N656 VanDerWaalsContact O-CB 3.23Å; D652-N656 WeakPolarHBondContact O-CB 3.48Å; D652-N656 PolarHBondContact O-N 2.95Å; D652-N656 PolarHBondContact O-ND2 3.26Å
653Y90.7Very high80.2Confident26 Ų2649.2 Ų49.210%0.10226%0.262CS..Hα-helixtrans-65.3-35.9175.6-173.3-99.2000112C494 I495 I498 P649 R650 Y651 V657 I658C494-Y653 HydrophobicContact CB-CE1 3.85Å; I495-Y653 HydrophobicContact CG1-CD1 4.47Å; I498-Y653 HydrophobicContact CD1-CD1 3.58Å; I498-Y653 HydrophobicContact CD1-CD2 3.81Å; I498-Y653 HydrophobicContact CD1-CE1 4.24Å; I498-Y653 HydrophobicContact CD1-CE2 4.42Å; I498-Y653 HydrophobicContact CD1-CG 3.34Å; P649-Y653 WeakPolarHBondContact O-CB 3.4Å; P649-Y653 PolarHBondContact O-N 2.78Å; R650-Y653 PolarHBondContact O-N 2.83Å; Y651-Y653 VanDerWaalsContact C-N 3.33Å; Y651-Y653 PolarHBondContact O-N 3.49Å; Y653-V657 HydrophobicContact CD2-CB 4.07Å; Y653-V657 HydrophobicContact CD2-CG2 3.73Å; Y653-V657 HydrophobicContact CE2-CB 3.98Å; Y653-V657 HydrophobicContact CE2-CG1 4.03Å; Y653-V657 HydrophobicContact CE2-CG2 3.84Å; Y653-V657 HydrophobicContact CG-CB 4.45Å; Y653-V657 HydrophobicContact CG-CG2 4.43Å; Y653-V657 WeakPolarHBondContact O-CA 3.48Å; Y653-V657 VanDerWaalsContact O-CB 3.24Å; Y653-V657 WeakPolarHBondContact O-CB 3.14Å; Y653-V657 PolarHBondContact O-N 3.35Å; Y653-I658 HydrophobicContact CD1-CD1 3.56Å; Y653-I658 HydrophobicContact CD1-CG1 4Å; Y653-I658 HydrophobicContact CE1-CD1 3.65Å; Y653-I658 HydrophobicContact CE1-CG1 3.8Å; Y653-I658 PolarHBondContact O-N 3.41Å
654V92.2Very high82.7Confident0 Ų049.1 Ų49.10%026%0.255CS..Iπ-helixtrans-66.9-50.2176.9173.30000111.2L370 A374 I495 R650 Y651 D652 I658 I659 F680L370-V654 HydrophobicContact CB-CG2 3.97Å; L370-V654 HydrophobicContact CD1-CG2 4.36Å; A374-V654 HydrophobicContact CB-CG1 3.78Å; I495-V654 HydrophobicContact CD1-CG2 3.47Å; I495-V654 VanDerWaalsContact CD1-CG2 3.47Å; I495-V654 HydrophobicContact CG1-CG2 3.96Å; R650-V654 WeakPolarHBondContact O-CG2 3.38Å; R650-V654 PolarHBondContact O-N 3.05Å; Y651-V654 WeakPolarHBondContact O-CA 3.3Å; Y651-V654 WeakPolarHBondContact O-CB 3.44Å; Y651-V654 PolarHBondContact O-N 2.86Å; D652-V654 VanDerWaalsContact C-N 3.31Å; D652-V654 PolarHBondContact O-N 2.81Å; V654-I658 HydrophobicContact CB-CD1 4.4Å; V654-I658 HydrophobicContact CG2-CD1 3.8Å; V654-I658 PolarHBondContact O-N 3.49Å; V654-I659 HydrophobicContact CG1-CD1 4.08Å; V654-I659 HydrophobicContact CG1-CG1 4.21Å; V654-I659 WeakPolarHBondContact O-CG1 3.3Å; V654-I659 PolarHBondContact O-N 3.26Å; V654-F680 HydrophobicContact CB-CE1 4.49Å; V654-F680 HydrophobicContact CB-CZ 4.45Å; V654-F680 HydrophobicContact CG1-CE1 3.75Å; V654-F680 HydrophobicContact CG1-CE2 4.24Å; V654-F680 HydrophobicContact CG1-CZ 3.52Å
655C92.4Very high84.7Confident6 Ų642.2 Ų42.24%0.04122%0.218CC..Iπ-helixtrans-65.2-56.7-179.8-66.90000111.2Y651 Y673 I677Y651-C655 WeakPolarHBondContact CE2-SG 3.45Å; Y651-C655 VanDerWaalsContact CZ-SG 3.55Å; Y651-C655 PolarHBondContact O-N 3.35Å; Y651-C655 PolarHBondContact O-SG 3Å; C655-Y673 WeakPolarHBondContact O-CE2 3.42Å; C655-Y673 PolarHBondContact O-OH 3.49Å; C655-I677 HydrophobicContact CB-CD1 3.59Å
656N89.8Confident85.7Confident92 Ų9244.6 Ų44.649%0.49223%0.227SC..Iπ-helixtrans-80.4-25.4-169.3-62.6-61.9000114.4D652 K660D652-N656 VanDerWaalsContact O-CB 3.23Å; D652-N656 WeakPolarHBondContact O-CB 3.48Å; D652-N656 PolarHBondContact O-N 2.95Å; D652-N656 PolarHBondContact O-ND2 3.26Å; N656-K660 WeakPolarHBondContact O-CD 3.39Å
657V90.7Very high86.6Confident28 Ų2843.7 Ų43.717%0.1722%0.222CC..Iπ-helixtrans-111.7-61.8-179.5-1700000111.2L409 Y653 T661L409-V657 HydrophobicContact CD2-CG1 3.91Å; Y653-V657 HydrophobicContact CD2-CB 4.07Å; Y653-V657 HydrophobicContact CD2-CG2 3.73Å; Y653-V657 HydrophobicContact CE2-CB 3.98Å; Y653-V657 HydrophobicContact CE2-CG1 4.03Å; Y653-V657 HydrophobicContact CE2-CG2 3.84Å; Y653-V657 HydrophobicContact CG-CB 4.45Å; Y653-V657 HydrophobicContact CG-CG2 4.43Å; Y653-V657 WeakPolarHBondContact O-CA 3.48Å; Y653-V657 VanDerWaalsContact O-CB 3.24Å; Y653-V657 WeakPolarHBondContact O-CB 3.14Å; Y653-V657 PolarHBondContact O-N 3.35Å; V657-T661 WeakPolarHBondContact O-CB 3.43Å; V657-T661 PolarHBondContact O-N 3.33Å; V657-T661 PolarHBondContact O-OG1 2.75Å
658I92.8Very high86.6Confident1 Ų143.1 Ų43.11%0.00521%0.211CC..Iπ-helixtrans-67.2-54.3-168.5-64.5160.5000112.4L409 I491 I495 Y653 V654 K660 T661 L662L409-I658 HydrophobicContact CD1-CG1 4.47Å; L409-I658 HydrophobicContact CD2-CG1 4.41Å; I491-I658 HydrophobicContact CD1-CG2 3.89Å; I491-I658 HydrophobicContact CG1-CG2 4.42Å; I491-I658 HydrophobicContact CG2-CD1 3.77Å; I491-I658 HydrophobicContact CG2-CG1 4.39Å; I491-I658 HydrophobicContact CG2-CG2 4Å; I495-I658 HydrophobicContact CD1-CD1 3.68Å; I495-I658 HydrophobicContact CG1-CD1 3.47Å; I495-I658 VanDerWaalsContact CG1-CD1 3.47Å; Y653-I658 HydrophobicContact CD1-CD1 3.56Å; Y653-I658 HydrophobicContact CD1-CG1 4Å; Y653-I658 HydrophobicContact CE1-CD1 3.65Å; Y653-I658 HydrophobicContact CE1-CG1 3.8Å; Y653-I658 PolarHBondContact O-N 3.41Å; V654-I658 HydrophobicContact CB-CD1 4.4Å; V654-I658 HydrophobicContact CG2-CD1 3.8Å; V654-I658 PolarHBondContact O-N 3.49Å; I658-K660 VanDerWaalsContact C-N 3.3Å; I658-K660 PolarHBondContact O-N 3.27Å; I658-T661 PolarHBondContact O-N 3.08Å; I658-L662 HydrophobicContact CG2-CD1 3.8Å; I658-L662 HydrophobicContact CG2-CG 4.24Å; I658-L662 WeakPolarHBondContact O-CB 3.34Å; I658-L662 WeakPolarHBondContact O-CG 3.38Å; I658-L662 PolarHBondContact O-N 2.79Å
659I93.3Very high85.6Confident1 Ų144.2 Ų44.21%0.00522%0.219CC..Iπ-helixtrans-59.6-45180-71.4175.6000109.7A374 V654 T661 L662 L663 Y673 A676 I677 F680A374-I659 HydrophobicContact CB-CG1 4.13Å; V654-I659 HydrophobicContact CG1-CD1 4.08Å; V654-I659 HydrophobicContact CG1-CG1 4.21Å; V654-I659 WeakPolarHBondContact O-CG1 3.3Å; V654-I659 PolarHBondContact O-N 3.26Å; I659-T661 PolarHBondContact O-N 3.46Å; I659-L662 PolarHBondContact O-N 3.06Å; I659-L663 HydrophobicContact CG2-CD1 3.79Å; I659-L663 HydrophobicContact CG2-CG 4.43Å; I659-L663 WeakPolarHBondContact O-CB 3.39Å; I659-L663 WeakPolarHBondContact O-CG 3.4Å; I659-L663 PolarHBondContact O-N 3.01Å; I659-Y673 HydrophobicContact CG2-CD2 4.11Å; I659-Y673 HydrophobicContact CG2-CE2 4.1Å; I659-A676 HydrophobicContact CG2-CB 3.79Å; I659-I677 HydrophobicContact CD1-CD1 3.94Å; I659-I677 HydrophobicContact CG2-CD1 4.3Å; I659-F680 HydrophobicContact CD1-CB 4.17Å; I659-F680 HydrophobicContact CD1-CD1 4.03Å; I659-F680 HydrophobicContact CD1-CD2 4.41Å; I659-F680 HydrophobicContact CD1-CG 3.96Å
660K91.3Very high84.7Confident122 Ų12251.4 Ų51.453%0.5325%0.247SC..Hα-helixtrans-59.2-43.3176.1-169173.4-177.9174.50113.1N656 I658 N664 Y673N656-K660 WeakPolarHBondContact O-CD 3.39Å; I658-K660 VanDerWaalsContact C-N 3.3Å; I658-K660 PolarHBondContact O-N 3.27Å; K660-N664 WeakPolarHBondContact O-CB 3.24Å; K660-N664 PolarHBondContact O-N 3.12Å; K660-Y673 HydrophobicContact CB-CD2 4.34Å; K660-Y673 HydrophobicContact CB-CE2 3.91Å; K660-Y673 HydrophobicContact CG-CE2 4.48Å
661T91.5Very high84.2Confident23 Ų2357 Ų5714%0.14127%0.273CS..Hα-helixtrans-68.9-44.3176.8-63.90000111.8C405 L409 V657 I658 I659 L663 N664C405-T661 HydrophobicContact CB-CG2 4.15Å; L409-T661 HydrophobicContact CD1-CG2 4.44Å; L409-T661 HydrophobicContact CD2-CG2 4.03Å; L409-T661 HydrophobicContact CG-CG2 4.02Å; V657-T661 WeakPolarHBondContact O-CB 3.43Å; V657-T661 PolarHBondContact O-N 3.33Å; V657-T661 PolarHBondContact O-OG1 2.75Å; I658-T661 PolarHBondContact O-N 3.08Å; I659-T661 PolarHBondContact O-N 3.46Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 3.03Å; T661-N664 PolarHBondContact O-N 2.96Å; T661-N664 VanDerWaalsContact O-N 3.15Å
662L92.3Very high84.1Confident1 Ų158.6 Ų58.61%0.00528%0.28CS..Hα-helixtrans-62.3-40.4178.4-72.7176.8000111.7C378 L382 H401 F402 C405 L487 I491 I658 I659 N664C378-L662 HydrophobicContact CB-CB 3.81Å; C378-L662 HydrophobicContact CB-CD1 3.94Å; L382-L662 WeakPolarHBondContact CD1-O 3.44Å; H401-L662 PolarHBondContact NE2-O 2.99Å; F402-L662 HydrophobicContact CD1-CD2 4.1Å; F402-L662 HydrophobicContact CE1-CD2 4.25Å; C405-L662 HydrophobicContact CB-CD2 4.14Å; L487-L662 HydrophobicContact CD1-CD2 4.17Å; L487-L662 HydrophobicContact CD2-CD2 4.16Å; I491-L662 HydrophobicContact CD1-CD1 4.03Å; I491-L662 HydrophobicContact CD1-CD2 4.2Å; I491-L662 HydrophobicContact CD1-CG 4.44Å; I658-L662 HydrophobicContact CG2-CD1 3.8Å; I658-L662 HydrophobicContact CG2-CG 4.24Å; I658-L662 WeakPolarHBondContact O-CB 3.34Å; I658-L662 WeakPolarHBondContact O-CG 3.38Å; I658-L662 PolarHBondContact O-N 2.79Å; I659-L662 PolarHBondContact O-N 3.06Å; L662-N664 VanDerWaalsContact C-N 3.29Å; L662-N664 PolarHBondContact O-N 3.29Å
663L91.5Very high84.1Confident4 Ų458 Ų582%0.02127%0.274CS..THydrogen-bonded Turntrans-78.8-7.1176.8-63.7175.4000114C378 I381 L382 I659 T661 Y665 S669 A676C378-L663 HydrophobicContact CB-CD2 4.21Å; I381-L663 HydrophobicContact CB-CD2 4.31Å; I381-L663 HydrophobicContact CG2-CD2 3.92Å; L382-L663 HydrophobicContact CD2-CD2 4.3Å; L382-L663 HydrophobicContact CG-CD2 4.09Å; I659-L663 HydrophobicContact CG2-CD1 3.79Å; I659-L663 HydrophobicContact CG2-CG 4.43Å; I659-L663 WeakPolarHBondContact O-CB 3.39Å; I659-L663 WeakPolarHBondContact O-CG 3.4Å; I659-L663 PolarHBondContact O-N 3.01Å; T661-L663 VanDerWaalsContact C-N 3.34Å; T661-L663 PolarHBondContact O-N 3.03Å; L663-Y665 PolarHBondContact O-N 3.05Å; L663-S669 VanDerWaalsContact O-CA 3.24Å; L663-S669 WeakPolarHBondContact O-CA 3.23Å; L663-S669 WeakPolarHBondContact O-CB 3.38Å; L663-S669 PolarHBondContact O-N 3.13Å; L663-A676 HydrophobicContact CD1-CB 3.58Å
664N86.8Confident84.2Confident83 Ų8362.3 Ų62.344%0.44430%0.298SS..  trans-78.450.8177.2-160.837.1000113.3H401 K660 T661 L662 S669H401-N664 PolarHBondContact CE1-O 3.01Å; H401-N664 VanDerWaalsContact CE1-O 3.3Å; K660-N664 WeakPolarHBondContact O-CB 3.24Å; K660-N664 PolarHBondContact O-N 3.12Å; T661-N664 PolarHBondContact O-N 2.96Å; T661-N664 VanDerWaalsContact O-N 3.15Å; L662-N664 VanDerWaalsContact C-N 3.29Å; L662-N664 PolarHBondContact O-N 3.29Å; N664-S669 PolarHBondContact OD1-OG 3.25Å
665Y79.1Confident84.1Confident11 Ų1166.2 Ų66.24%0.04332%0.319CS..SBendtrans-96.8123.3175.6-173.1-134.7000109.2L382 Y386 P397 L398 H401 L663 N667 Y668L382-Y665 HydrophobicContact CD2-CD1 3.94Å; L382-Y665 HydrophobicContact CD2-CG 4.29Å; Y386-Y665 HydrophobicContact CD1-CE1 4.17Å; Y386-Y665 HydrophobicContact CD2-CD1 4.15Å; Y386-Y665 HydrophobicContact CD2-CE1 4.02Å; Y386-Y665 HydrophobicContact CE1-CD1 4.31Å; Y386-Y665 AromaticContact CE1-CE1 3.6Å; Y386-Y665 HydrophobicContact CE1-CE1 3.6Å; Y386-Y665 AromaticContact CE2-CD1 3.34Å; Y386-Y665 HydrophobicContact CE2-CD1 3.34Å; Y386-Y665 AromaticContact CE2-CE1 3.41Å; Y386-Y665 HydrophobicContact CE2-CE1 3.41Å; Y386-Y665 VanDerWaalsContact CE2-CE1 3.41Å; Y386-Y665 HydrophobicContact CG-CE1 4.36Å; Y386-Y665 AromaticContact CZ-CD1 3.45Å; Y386-Y665 VanDerWaalsContact CZ-CD1 3.45Å; Y386-Y665 AromaticContact CZ-CE1 3.18Å; Y386-Y665 WeakPolarHBondContact OH-CD1 3.47Å; Y386-Y665 WeakPolarHBondContact OH-CE1 3.17Å; P397-Y665 WeakPolarHBondContact CB-OH 3.41Å; P397-Y665 VanDerWaalsContact CG-OH 3.27Å; P397-Y665 WeakPolarHBondContact CG-OH 3.05Å; L398-Y665 HydrophobicContact CD1-CD1 4.33Å; L398-Y665 HydrophobicContact CD1-CE1 4.23Å; L398-Y665 PolarHBondContact N-OH 3.28Å; H401-Y665 HydrophobicContact CB-CD2 3.49Å; H401-Y665 VanDerWaalsContact CB-CD2 3.49Å; H401-Y665 HydrophobicContact CB-CE2 3.65Å; H401-Y665 HydrophobicContact CB-CG 4.43Å; H401-Y665 AromaticContact CD2-CD2 3.8Å; H401-Y665 AromaticContact CD2-CG 3.96Å; H401-Y665 AromaticContact CG-CD2 3.34Å; H401-Y665 AromaticContact CG-CG 3.97Å; H401-Y665 AromaticContact ND1-CD2 3.65Å; L663-Y665 PolarHBondContact O-N 3.05Å; Y665-N667 PolarHBondContact O-N 2.83Å; Y665-Y668 PolarHBondContact O-N 3.45Å
666Q72.8Confident84.1Confident104 Ų10465.9 Ų65.949%0.48632%0.317SS..THydrogen-bonded Turntrans44.937.5-178.4-56.1-174.2-17.100114.4Y386 Y668Y386-Q666 WeakPolarHBondContact OH-CB 3.23Å; Y386-Q666 WeakPolarHBondContact OH-CG 3.42Å; Y386-Q666 PolarHBondContact OH-OE1 3.12Å; Q666-Y668 VanDerWaalsContact C-N 3.26Å; Q666-Y668 HydrophobicContact CB-CD2 3.98Å; Q666-Y668 HydrophobicContact CB-CE2 4.03Å; Q666-Y668 WeakPolarHBondContact O-CD2 3.43Å; Q666-Y668 PolarHBondContact O-N 3.33Å
667N67.9Low84.3Confident140 Ų14062.9 Ų62.975%0.74930%0.3SS*.THydrogen-bonded Turntrans65.27.8-179.9-55.5-29000117.1Y665 S669Y665-N667 PolarHBondContact O-N 2.83Å; N667-S669 PolarHBondContact O-N 2.71Å
668Y66.3Low84.4Confident117 Ų11764.3 Ų64.346%0.45931%0.312SS..THydrogen-bonded Turntrans-73.1-3.7178.8-72.1-79.7000115.1Y386 Y665 Q666 K670 H671Y386-Y668 HydrophobicContact CE2-CD2 4.42Å; Y665-Y668 PolarHBondContact O-N 3.45Å; Q666-Y668 VanDerWaalsContact C-N 3.26Å; Q666-Y668 HydrophobicContact CB-CD2 3.98Å; Q666-Y668 HydrophobicContact CB-CE2 4.03Å; Q666-Y668 WeakPolarHBondContact O-CD2 3.43Å; Q666-Y668 PolarHBondContact O-N 3.33Å; Y668-K670 VanDerWaalsContact C-N 3.27Å; Y668-K670 PolarHBondContact O-N 3.06Å; Y668-H671 PolarHBondContact O-N 3.22Å; Y668-H671 VanDerWaalsContact O-N 3.15Å
669S61.2Low84.4Confident23 Ų2364.9 Ų64.916%0.16132%0.315CS..Hα-helixtrans-49.1-38.5-168440000115.7L663 N664 N667 H671 Y673L663-S669 VanDerWaalsContact O-CA 3.24Å; L663-S669 WeakPolarHBondContact O-CA 3.23Å; L663-S669 WeakPolarHBondContact O-CB 3.38Å; L663-S669 PolarHBondContact O-N 3.13Å; N664-S669 PolarHBondContact OD1-OG 3.25Å; N667-S669 PolarHBondContact O-N 2.71Å; S669-H671 PolarHBondContact O-N 3.06Å; S669-Y673 WeakPolarHBondContact O-CB 3.23Å; S669-Y673 PolarHBondContact O-N 3.11Å
670K66.9Low84.5Confident185 Ų18564.8 Ų64.880%0.80431%0.314SS*.Hα-helixtrans-69.7-28.4-174.1-71.2-176177.6-179.60114.2Y668Y668-K670 VanDerWaalsContact C-N 3.27Å; Y668-K670 PolarHBondContact O-N 3.06Å
671H79.7Confident84.5Confident141 Ų14161.7 Ų61.765%0.65330%0.303SS*.Hα-helixtrans-74.2-39.2-172.6-68.1-74.5000112.6Y668 S669Y668-H671 PolarHBondContact O-N 3.22Å; Y668-H671 VanDerWaalsContact O-N 3.15Å; S669-H671 PolarHBondContact O-N 3.06Å
672Y87.4Confident84.5Confident63 Ų6363.6 Ų63.625%0.24731%0.311CS..Hα-helixtrans-109.75.3-172.5-51.5-66.4000114.1I381 H385 D675 A676I381-Y672 HydrophobicContact CG2-CD2 4.31Å; I381-Y672 HydrophobicContact CG2-CG 3.9Å; H385-Y672 HydrophobicContact CB-CE1 4.23Å; H385-Y672 HydrophobicContact CB-CE2 3.85Å; H385-Y672 AromaticContact CD2-CE1 3.98Å; H385-Y672 AromaticContact CE1-CE1 3.58Å; H385-Y672 AromaticContact CG-CE1 3.57Å; H385-Y672 AromaticContact CG-CZ 3.52Å; H385-Y672 AromaticContact ND1-CE1 3.31Å; H385-Y672 VanDerWaalsContact ND1-CE1 3.31Å; H385-Y672 WeakPolarHBondContact ND1-CE1 3.33Å; H385-Y672 AromaticContact ND1-CZ 3.45Å; H385-Y672 PolarHBondContact ND1-OH 3.17Å; Y672-D675 PolarHBondContact O-N 2.83Å; Y672-A676 WeakPolarHBondContact O-CB 3.24Å; Y672-A676 PolarHBondContact O-N 3.16Å
673Y90.6Very high84.5Confident48 Ų4863.5 Ų63.519%0.18831%0.31CS..Hα-helixtrans-61.7-47.2-179.9179.4-103.1000111.9C655 I659 K660 S669 D675 A676 I677C655-Y673 WeakPolarHBondContact O-CE2 3.42Å; C655-Y673 PolarHBondContact O-OH 3.49Å; I659-Y673 HydrophobicContact CG2-CD2 4.11Å; I659-Y673 HydrophobicContact CG2-CE2 4.1Å; K660-Y673 HydrophobicContact CB-CD2 4.34Å; K660-Y673 HydrophobicContact CB-CE2 3.91Å; K660-Y673 HydrophobicContact CG-CE2 4.48Å; S669-Y673 WeakPolarHBondContact O-CB 3.23Å; S669-Y673 PolarHBondContact O-N 3.11Å; Y673-D675 VanDerWaalsContact C-N 3.34Å; Y673-D675 PolarHBondContact O-N 3.42Å; Y673-A676 WeakPolarHBondContact O-CB 3.5Å; Y673-A676 PolarHBondContact O-N 3.05Å; Y673-I677 HydrophobicContact CD1-CG1 4.37Å; Y673-I677 HydrophobicContact CE1-CG1 3.99Å; Y673-I677 HydrophobicContact CE2-CD1 4.24Å; Y673-I677 HydrophobicContact CE2-CG1 4.24Å; Y673-I677 WeakPolarHBondContact O-CG1 3.15Å; Y673-I677 PolarHBondContact O-N 3.47Å
674N91.4Very high84.5Confident116 Ų11663.6 Ų63.662%0.6231%0.311SS*.Hα-helixtrans-65-39.1180-65.8-11.6000111.6A676 I677 S678N674-A676 VanDerWaalsContact C-N 3.34Å; N674-A676 PolarHBondContact O-N 3.44Å; N674-I677 PolarHBondContact O-N 3.41Å; N674-S678 WeakPolarHBondContact O-CB 3.38Å; N674-S678 PolarHBondContact O-N 2.89Å
675D90.1Very high84.6Confident81 Ų8166.5 Ų66.543%0.43332%0.32SS..Hα-helixtrans-62.4-42.2175.5-57.7-20.2000111.2Y672 Y673 S678 L679Y672-D675 PolarHBondContact O-N 2.83Å; Y673-D675 VanDerWaalsContact C-N 3.34Å; Y673-D675 PolarHBondContact O-N 3.42Å; D675-S678 PolarHBondContact O-N 2.97Å; D675-L679 WeakPolarHBondContact O-CB 3.17Å; D675-L679 WeakPolarHBondContact O-CG 3.11Å; D675-L679 PolarHBondContact O-N 3.36Å
676A93Very high84.9Confident0 Ų067.7 Ų67.70%033%0.326CS..Hα-helixtrans-63.9-42.1176.500000112.7I377 I381 I659 L663 Y672 Y673 N674 F680I377-A676 HydrophobicContact CG2-CB 4.38Å; I381-A676 VanDerWaalsContact CD1-CA 3.48Å; I381-A676 HydrophobicContact CD1-CB 3.43Å; I381-A676 VanDerWaalsContact CD1-CB 3.43Å; I659-A676 HydrophobicContact CG2-CB 3.79Å; L663-A676 HydrophobicContact CD1-CB 3.58Å; Y672-A676 WeakPolarHBondContact O-CB 3.24Å; Y672-A676 PolarHBondContact O-N 3.16Å; Y673-A676 WeakPolarHBondContact O-CB 3.5Å; Y673-A676 PolarHBondContact O-N 3.05Å; N674-A676 VanDerWaalsContact C-N 3.34Å; N674-A676 PolarHBondContact O-N 3.44Å; A676-F680 WeakPolarHBondContact O-CB 3.34Å; A676-F680 PolarHBondContact O-N 3.36Å
677I93.9Very high85.6Confident28 Ų2862.8 Ų62.814%0.14430%0.303CS..Hα-helixtrans-65.7-42.5175.4-63.1-64.2000110.6C655 I659 Y673 N674 F680 N681C655-I677 HydrophobicContact CB-CD1 3.59Å; I659-I677 HydrophobicContact CD1-CD1 3.94Å; I659-I677 HydrophobicContact CG2-CD1 4.3Å; Y673-I677 HydrophobicContact CD1-CG1 4.37Å; Y673-I677 HydrophobicContact CE1-CG1 3.99Å; Y673-I677 HydrophobicContact CE2-CD1 4.24Å; Y673-I677 HydrophobicContact CE2-CG1 4.24Å; Y673-I677 WeakPolarHBondContact O-CG1 3.15Å; Y673-I677 PolarHBondContact O-N 3.47Å; N674-I677 PolarHBondContact O-N 3.41Å; I677-F680 PolarHBondContact O-N 3.17Å; I677-N681 WeakPolarHBondContact O-CB 3.37Å; I677-N681 VanDerWaalsContact O-CG 3.26Å; I677-N681 PolarHBondContact O-N 3.48Å; I677-N681 PolarHBondContact O-ND2 2.94Å
678S92.4Very high86.5Confident58 Ų5857 Ų5741%0.40627%0.274SS..Hα-helixtrans-59.6-50.1175.7-177.90000111.9N674 D675 F680 N681 Q682N674-S678 WeakPolarHBondContact O-CB 3.38Å; N674-S678 PolarHBondContact O-N 2.89Å; D675-S678 PolarHBondContact O-N 2.97Å; S678-F680 VanDerWaalsContact C-N 3.34Å; S678-F680 PolarHBondContact O-N 3.06Å; S678-N681 PolarHBondContact O-N 3.33Å; S678-Q682 VanDerWaalsContact O-CG 3.31Å; S678-Q682 WeakPolarHBondContact O-CG 3.41Å; S678-Q682 PolarHBondContact O-N 3.33Å; S678-Q682 PolarHBondContact OG-NE2 2.61Å; S678-Q682 VanDerWaalsContact OG-NE2 3.13Å
679L93.2Very high87.2Confident13 Ų1354.6 Ų54.67%0.06827%0.269CS..Hα-helixtrans-62.8-38.5175.9-72.8171.9000112.3N329 W331 L332 I377 I381 D675 Q682 Y683N329-L679 HydrophobicContact CB-CD2 4.16Å; N329-L679 WeakPolarHBondContact ND2-CD2 3.31Å; W331-L679 HydrophobicContact CH2-CD1 4.43Å; W331-L679 HydrophobicContact CZ2-CD1 4.28Å; W331-L679 HydrophobicContact CZ2-CD2 4.35Å; L332-L679 HydrophobicContact CD2-CD2 4.34Å; I377-L679 HydrophobicContact CD1-CB 4.18Å; I377-L679 HydrophobicContact CG1-CB 4.48Å; I377-L679 HydrophobicContact CG2-CB 3.71Å; I377-L679 HydrophobicContact CG2-CD1 4.11Å; I381-L679 HydrophobicContact CD1-CD1 4.22Å; I381-L679 HydrophobicContact CG1-CD1 4.39Å; D675-L679 WeakPolarHBondContact O-CB 3.17Å; D675-L679 WeakPolarHBondContact O-CG 3.11Å; D675-L679 PolarHBondContact O-N 3.36Å; L679-Q682 PolarHBondContact O-N 3Å; L679-Y683 WeakPolarHBondContact O-CB 3.44Å; L679-Y683 PolarHBondContact O-N 2.78Å
680F94.6Very high88Confident0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-67-40.3179-174-114.4000111.7L370 A374 I377 Y651 V654 I659 A676 I677 S678 Y683 L684L370-F680 HydrophobicContact CD2-CE1 4.09Å; L370-F680 HydrophobicContact CD2-CZ 3.57Å; A374-F680 HydrophobicContact CB-CE2 4.13Å; I377-F680 VanDerWaalsContact CD1-CA 3.5Å; I377-F680 HydrophobicContact CD1-CB 4.06Å; I377-F680 HydrophobicContact CD1-CD2 4.15Å; Y651-F680 AromaticContact CD2-CE1 3.96Å; Y651-F680 HydrophobicContact CD2-CE1 3.96Å; Y651-F680 HydrophobicContact CE2-CD1 4.23Å; Y651-F680 HydrophobicContact CE2-CE1 4.11Å; V654-F680 HydrophobicContact CB-CE1 4.49Å; V654-F680 HydrophobicContact CB-CZ 4.45Å; V654-F680 HydrophobicContact CG1-CE1 3.75Å; V654-F680 HydrophobicContact CG1-CE2 4.24Å; V654-F680 HydrophobicContact CG1-CZ 3.52Å; I659-F680 HydrophobicContact CD1-CB 4.17Å; I659-F680 HydrophobicContact CD1-CD1 4.03Å; I659-F680 HydrophobicContact CD1-CD2 4.41Å; I659-F680 HydrophobicContact CD1-CG 3.96Å; A676-F680 WeakPolarHBondContact O-CB 3.34Å; A676-F680 PolarHBondContact O-N 3.36Å; I677-F680 PolarHBondContact O-N 3.17Å; S678-F680 VanDerWaalsContact C-N 3.34Å; S678-F680 PolarHBondContact O-N 3.06Å; F680-Y683 AromaticContact CD2-CD1 3.99Å; F680-Y683 HydrophobicContact CD2-CD1 3.99Å; F680-Y683 HydrophobicContact CD2-CE1 4.45Å; F680-Y683 HydrophobicContact CE2-CD1 4.12Å; F680-Y683 HydrophobicContact CE2-CE1 4.15Å; F680-Y683 WeakPolarHBondContact O-CB 3.45Å; F680-Y683 PolarHBondContact O-N 2.98Å; F680-L684 HydrophobicContact CD1-CD1 4.13Å; F680-L684 HydrophobicContact CE1-CD1 3.75Å; F680-L684 HydrophobicContact CZ-CD1 4.09Å; F680-L684 WeakPolarHBondContact O-CG 3.43Å; F680-L684 PolarHBondContact O-N 2.79Å
681N92.6Very high88.5Confident56 Ų5647.3 Ų47.330%0.29924%0.237SC..Hα-helixtrans-68.1-38.4174.7-70.9-13.8000112.2Y651 I677 S678 L684 K685Y651-N681 WeakPolarHBondContact CE2-OD1 3.37Å; Y651-N681 PolarHBondContact OH-ND2 3.16Å; Y651-N681 PolarHBondContact OH-OD1 2.73Å; Y651-N681 VanDerWaalsContact OH-OD1 3.1Å; I677-N681 WeakPolarHBondContact O-CB 3.37Å; I677-N681 VanDerWaalsContact O-CG 3.26Å; I677-N681 PolarHBondContact O-N 3.48Å; I677-N681 PolarHBondContact O-ND2 2.94Å; S678-N681 PolarHBondContact O-N 3.33Å; N681-L684 PolarHBondContact O-N 3.49Å; N681-K685 VanDerWaalsContact O-CB 3.31Å; N681-K685 WeakPolarHBondContact O-CB 3.27Å; N681-K685 PolarHBondContact O-N 3.43Å
682Q90.5Very high88.2Confident63 Ų6348.2 Ų48.229%0.29424%0.238SC..Hα-helixtrans-60.7-46.4170.8-72.4170.747.700111.3L332 S678 L679 L684 K685 I686L332-Q682 HydrophobicContact CD2-CB 3.55Å; S678-Q682 VanDerWaalsContact O-CG 3.31Å; S678-Q682 WeakPolarHBondContact O-CG 3.41Å; S678-Q682 PolarHBondContact O-N 3.33Å; S678-Q682 PolarHBondContact OG-NE2 2.61Å; S678-Q682 VanDerWaalsContact OG-NE2 3.13Å; L679-Q682 PolarHBondContact O-N 3Å; Q682-L684 PolarHBondContact O-N 3.32Å; Q682-K685 PolarHBondContact O-N 2.86Å; Q682-I686 WeakPolarHBondContact O-CD1 3.31Å; Q682-I686 VanDerWaalsContact O-CG1 3.22Å; Q682-I686 WeakPolarHBondContact O-CG1 3.33Å; Q682-I686 PolarHBondContact O-N 3.12Å
683Y92.5Very high86.8Confident0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-58.5-44.5176.5153.3-105.2000112.7I335 A336 N339 S369 G373 I377 L679 F680 S687I335-Y683 HydrophobicContact CB-CD2 4.5Å; I335-Y683 HydrophobicContact CG2-CD2 3.84Å; I335-Y683 HydrophobicContact CG2-CE2 3.67Å; A336-Y683 HydrophobicContact CB-CD2 4.22Å; N339-Y683 HydrophobicContact CB-CE2 4.25Å; N339-Y683 VanDerWaalsContact CG-OH 3.27Å; N339-Y683 PolarHBondContact ND2-OH 2.94Å; S369-Y683 PolarHBondContact O-OH 3.31Å; S369-Y683 PolarHBondContact OG-OH 3.14Å; G373-Y683 VanDerWaalsContact CA-CE1 3.48Å; I377-Y683 HydrophobicContact CD1-CG 4.49Å; L679-Y683 WeakPolarHBondContact O-CB 3.44Å; L679-Y683 PolarHBondContact O-N 2.78Å; F680-Y683 AromaticContact CD2-CD1 3.99Å; F680-Y683 HydrophobicContact CD2-CD1 3.99Å; F680-Y683 HydrophobicContact CD2-CE1 4.45Å; F680-Y683 HydrophobicContact CE2-CD1 4.12Å; F680-Y683 HydrophobicContact CE2-CE1 4.15Å; F680-Y683 WeakPolarHBondContact O-CB 3.45Å; F680-Y683 PolarHBondContact O-N 2.98Å; Y683-S687 WeakPolarHBondContact CE2-OG 3.48Å; Y683-S687 VanDerWaalsContact O-CB 3.3Å; Y683-S687 WeakPolarHBondContact O-CB 3.19Å; Y683-S687 PolarHBondContact O-N 3.31Å; Y683-S687 PolarHBondContact O-OG 3.38Å
684L91.5Very high85Confident5 Ų548.2 Ų48.23%0.02625%0.247CC..Hα-helixtrans-66.8-43.1176.5-71179.7000111.5T364 L370 Y651 F680 N681 Q682 S687 S688T364-L684 HydrophobicContact CG2-CB 4.33Å; T364-L684 HydrophobicContact CG2-CD2 4.43Å; L370-L684 HydrophobicContact CD2-CD1 4.27Å; L370-L684 HydrophobicContact CD2-CD2 4.41Å; Y651-L684 HydrophobicContact CD2-CD1 3.98Å; Y651-L684 HydrophobicContact CE2-CD1 4.16Å; F680-L684 HydrophobicContact CD1-CD1 4.13Å; F680-L684 HydrophobicContact CE1-CD1 3.75Å; F680-L684 HydrophobicContact CZ-CD1 4.09Å; F680-L684 WeakPolarHBondContact O-CG 3.43Å; F680-L684 PolarHBondContact O-N 2.79Å; N681-L684 PolarHBondContact O-N 3.49Å; Q682-L684 PolarHBondContact O-N 3.32Å; L684-S687 PolarHBondContact O-N 3.07Å; L684-S688 WeakPolarHBondContact O-CB 3.49Å; L684-S688 PolarHBondContact O-N 2.98Å; L684-S688 PolarHBondContact O-OG 3.03Å
685K88.3Confident82.7Confident145 Ų14545.7 Ų45.763%0.6324%0.239SC*.Hα-helixtrans-59.3-48.7176.1-174.6179.4179.8-178.50111.7N681 Q682 S688 N689N681-K685 VanDerWaalsContact O-CB 3.31Å; N681-K685 WeakPolarHBondContact O-CB 3.27Å; N681-K685 PolarHBondContact O-N 3.43Å; Q682-K685 PolarHBondContact O-N 2.86Å; K685-S688 PolarHBondContact O-N 3.2Å; K685-N689 WeakPolarHBondContact O-CB 3.49Å; K685-N689 VanDerWaalsContact O-CG 3.25Å; K685-N689 PolarHBondContact O-N 2.82Å; K685-N689 PolarHBondContact O-OD1 3.07Å
686I86.3Confident80.6Confident36 Ų3649.8 Ų49.819%0.18525%0.249CC..Hα-helixtrans-60-49.8176-64162.4000109.7L332 I333 A336 Q682 S688 N689 Q690L332-I686 HydrophobicContact CD2-CD1 4.13Å; L332-I686 HydrophobicContact CG-CD1 4.4Å; I333-I686 HydrophobicContact CG1-CD1 4.23Å; I333-I686 HydrophobicContact CG1-CG2 4.14Å; A336-I686 HydrophobicContact CB-CB 4.01Å; A336-I686 HydrophobicContact CB-CG2 3.47Å; A336-I686 VanDerWaalsContact CB-CG2 3.47Å; Q682-I686 WeakPolarHBondContact O-CD1 3.31Å; Q682-I686 VanDerWaalsContact O-CG1 3.22Å; Q682-I686 WeakPolarHBondContact O-CG1 3.33Å; Q682-I686 PolarHBondContact O-N 3.12Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 3.08Å; I686-N689 PolarHBondContact O-N 2.64Å; I686-Q690 HydrophobicContact CG2-CG 4.28Å; I686-Q690 WeakPolarHBondContact O-CG 3.45Å; I686-Q690 PolarHBondContact O-N 2.92Å
687S88.1Confident77.9Confident0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-57.8-42.3-179.7-61.50000112.5V340 Y683 L684 L691V340-S687 VanDerWaalsContact CG2-O 3.3Å; V340-S687 WeakPolarHBondContact CG2-O 3.37Å; Y683-S687 WeakPolarHBondContact CE2-OG 3.48Å; Y683-S687 VanDerWaalsContact O-CB 3.3Å; Y683-S687 WeakPolarHBondContact O-CB 3.19Å; Y683-S687 PolarHBondContact O-N 3.31Å; Y683-S687 PolarHBondContact O-OG 3.38Å; L684-S687 PolarHBondContact O-N 3.07Å; S687-L691 PolarHBondContact O-N 3.1Å
688S85.4Confident75Confident20 Ų2065.7 Ų65.714%0.1432%0.315CS..Hα-helixtrans-70.1-40.9178.1-67.20000112.6I363 L684 K685 I686 L691 K692I363-S688 VanDerWaalsContact CG2-OG 3.3Å; I363-S688 WeakPolarHBondContact CG2-OG 3.34Å; L684-S688 WeakPolarHBondContact O-CB 3.49Å; L684-S688 PolarHBondContact O-N 2.98Å; L684-S688 PolarHBondContact O-OG 3.03Å; K685-S688 PolarHBondContact O-N 3.2Å; I686-S688 VanDerWaalsContact C-N 3.32Å; I686-S688 PolarHBondContact O-N 3.08Å; S688-L691 PolarHBondContact O-N 3.42Å; S688-K692 WeakPolarHBondContact O-CG 3.24Å; S688-K692 PolarHBondContact O-N 3.37Å
689N81.7Confident72.1Confident65 Ų6567.1 Ų67.135%0.34832%0.323SS..Hα-helixtrans-64.3-44.1177.6-72.42.3000111.5K685 I686 L691 K692 N693K685-N689 WeakPolarHBondContact O-CB 3.49Å; K685-N689 VanDerWaalsContact O-CG 3.25Å; K685-N689 PolarHBondContact O-N 2.82Å; K685-N689 PolarHBondContact O-OD1 3.07Å; I686-N689 PolarHBondContact O-N 2.64Å; N689-L691 PolarHBondContact O-N 2.9Å; N689-L691 VanDerWaalsContact O-N 3.09Å; N689-K692 PolarHBondContact O-N 3.41Å; N689-K692 VanDerWaalsContact O-N 3.15Å; N689-N693 PolarHBondContact O-N 2.88Å
690Q78.9Confident69.3Low9 Ų974.5 Ų74.54%0.04236%0.361CS..Hα-helixtrans-64.5-10.7175.7-67.3-47.4-60.800114.7D318 L337 V340 I686 V694D318-Q690 VanDerWaalsContact C-NE2 3.35Å; D318-Q690 PolarHBondContact O-NE2 2.74Å; L337-Q690 HydrophobicContact CD2-CG 4.29Å; V340-Q690 HydrophobicContact CB-CB 4.46Å; V340-Q690 HydrophobicContact CG1-CB 4.04Å; V340-Q690 HydrophobicContact CG2-CB 3.95Å; I686-Q690 HydrophobicContact CG2-CG 4.28Å; I686-Q690 WeakPolarHBondContact O-CG 3.45Å; I686-Q690 PolarHBondContact O-N 2.92Å; Q690-V694 WeakPolarHBondContact O-CG2 3.26Å
691L77.5Confident66.1Low47 Ų4781.8 Ų81.825%0.24639%0.393CS..Hα-helixtrans-97.1-37.6171.1-76.6170.2000112.7V340 Y343 K344 I363 S687 S688 N689 V694V340-L691 HydrophobicContact CG1-CD2 4Å; V340-L691 HydrophobicContact CG1-CG 4.14Å; V340-L691 HydrophobicContact CG2-CG 4.31Å; Y343-L691 HydrophobicContact CD1-CD1 3.98Å; Y343-L691 HydrophobicContact CD1-CD2 4.11Å; Y343-L691 HydrophobicContact CE1-CD1 4.45Å; Y343-L691 HydrophobicContact CG-CD1 4.49Å; K344-L691 HydrophobicContact CG-CD2 4.07Å; I363-L691 HydrophobicContact CB-CD1 3.74Å; I363-L691 HydrophobicContact CD1-CD1 3.57Å; I363-L691 HydrophobicContact CG1-CD1 4.27Å; I363-L691 HydrophobicContact CG2-CD1 3.89Å; S687-L691 PolarHBondContact O-N 3.1Å; S688-L691 PolarHBondContact O-N 3.42Å; N689-L691 PolarHBondContact O-N 2.9Å; N689-L691 VanDerWaalsContact O-N 3.09Å; L691-V694 WeakPolarHBondContact O-CG2 3.13Å
692K72.1Confident63Low159 Ų15983.8 Ų83.869%0.69141%0.409SS*.Hα-helixtrans-66.3-39.3-178.5-74.7178.1-179.3-179.60113.2S688 N689 V694S688-K692 WeakPolarHBondContact O-CG 3.24Å; S688-K692 PolarHBondContact O-N 3.37Å; N689-K692 PolarHBondContact O-N 3.41Å; N689-K692 VanDerWaalsContact O-N 3.15Å; K692-V694 PolarHBondContact O-N 3Å
693N58.9Low60.1Low84 Ų8484.8 Ų84.845%0.44942%0.419SS..THydrogen-bonded Turntrans-83.68.3-170.5-62.18.7000113.2D318 N689 S695D318-N693 HydrophobicContact CB-CB 3.84Å; D318-N693 WeakPolarHBondContact OD2-CB 3.44Å; D318-N693 PolarHBondContact OD2-ND2 3.07Å; N689-N693 PolarHBondContact O-N 2.88Å; N693-S695 PolarHBondContact O-N 3.42Å
694V52.7Low57Low28 Ų2889.8 Ų89.817%0.1745%0.454CS..  trans-87.594.7-174.3-174.30000109.7K344 Q690 L691 K692 Y696K344-V694 VanDerWaalsContact CE-CG2 3.47Å; Q690-V694 WeakPolarHBondContact O-CG2 3.26Å; L691-V694 WeakPolarHBondContact O-CG2 3.13Å; K692-V694 PolarHBondContact O-N 3Å; V694-Y696 PolarHBondContact O-N 3.25Å
695S43.7Very low54.1Low63 Ų6396.3 Ų96.344%0.44149%0.486SS..  trans-63.9124.3167.260.40000109.7N316 N693 Q697N316-S695 PolarHBondContact ND2-O 3.46Å; N693-S695 PolarHBondContact O-N 3.42Å; S695-Q697 PolarHBondContact O-N 3.09Å
696Y45Very low51.2Low166 Ų16698.3 Ų98.365%0.65150%0.495SS*.THydrogen-bonded Turntrans-74.952.4176.4-72.7-88.2000111.8Y359 V694Y359-Y696 WeakPolarHBondContact CE1-OH 3.45Å; V694-Y696 PolarHBondContact O-N 3.25Å
697Q36.2Very low48.4Very low152 Ų152102 Ų10271%0.7152%0.521SS*.THydrogen-bonded Turntrans-98-11.4-176.1-80.6-174.2-28.100115.2S695S695-Q697 PolarHBondContact O-N 3.09Å
698Y33.4Very low45.5Very low210 Ų210107.7 Ų107.782%0.82456%0.558SS**  trans-118.196.8166.6-74.1-84.6000110.9I700Y698-I700 PolarHBondContact O-N 2.86Å
699P30.4Very low42.9Very low89 Ų89111.3 Ų111.358%0.57858%0.583SS**  trans-66.4121.5157.929.8-30.9000107K701P699-K701 HydrophobicContact CB-CG 4.06Å; P699-K701 HydrophobicContact CG-CG 4.08Å; P699-K701 PolarHBondContact O-N 3.4Å
700I34.1Very low40.2Very low168 Ų168117 Ų11786%0.86261%0.608SS**  trans-65.477.2150.3-54.7176.3000105.5Y698Y698-I700 PolarHBondContact O-N 2.86Å
701K28.4Very low37.7Very low152 Ų152122.8 Ų122.866%0.66164%0.639SS**  trans-56.2126.4166-79.8179.9178.2172.30104.6P699 V703P699-K701 HydrophobicContact CB-CG 4.06Å; P699-K701 HydrophobicContact CG-CG 4.08Å; P699-K701 PolarHBondContact O-N 3.4Å; K701-V703 PolarHBondContact O-N 3.05Å; K701-V703 VanDerWaalsContact O-N 3.08Å
702P26.6Very low35.2Very low98 Ų98126.2 Ų126.264%0.63666%0.662SS**  trans-52.9126.8158.126.2-32.2000105S704P702-S704 PolarHBondContact O-N 3.32Å
703V31.1Very low33Very low84 Ų84124.9 Ų124.951%0.50966%0.661SS.*  trans-67.186.2-174.2-179.20000107.7K701 M705K701-V703 PolarHBondContact O-N 3.05Å; K701-V703 VanDerWaalsContact O-N 3.08Å; V703-M705 HydrophobicContact CG1-CB 4.02Å; V703-M705 HydrophobicContact CG1-CG 3.56Å; V703-M705 HydrophobicContact CG1-SD 3.72Å; V703-M705 PolarHBondContact O-N 3.02Å
704S26.1Very low31.4Very low106 Ų106129 Ų12974%0.74168%0.677SS**  trans-78.852.8172.2680000108.2P702 K706P702-S704 PolarHBondContact O-N 3.32Å; S704-K706 PolarHBondContact O-N 3.27Å; S704-K706 VanDerWaalsContact O-N 3.1Å
705M30.4Very low30.1Very low141 Ų141134.6 Ų134.670%0.69571%0.705SS**  trans-62.4113.6161-86174.9157.300105.9V703V703-M705 HydrophobicContact CG1-CB 4.02Å; V703-M705 HydrophobicContact CG1-CG 3.56Å; V703-M705 HydrophobicContact CG1-SD 3.72Å; V703-M705 PolarHBondContact O-N 3.02Å
706K27.2Very low29.3Very low188 Ų188138.4 Ų138.482%0.81772%0.72SS**PPolyproline II helixtrans-48.4139.7158.3-71.1176.9175.1178.30106.8S704S704-K706 PolarHBondContact O-N 3.27Å; S704-K706 VanDerWaalsContact O-N 3.1Å
707P27.6Very low28.3Very low113 Ų113138.1 Ų138.173%0.73473%0.73SS**PPolyproline II helixtrans-53.4143.4169.226.4-33.7000108.2S709P707-S709 PolarHBondContact O-N 2.78Å
708P28.9Very low27.8Very low119 Ų119137.7 Ų137.777%0.77373%0.732SS**PPolyproline II helixtrans-51.2141.3165.5-20.432000108.2E710P708-E710 PolarHBondContact O-N 3.01Å
709S30Very low27.6Very low96 Ų96135.2 Ų135.267%0.67173%0.733SS**PPolyproline II helixtrans-50.1136.2175.745.40000110.2P707 N711P707-S709 PolarHBondContact O-N 2.78Å; S709-N711 PolarHBondContact O-N 3.3Å
710E26Very low27.5Very low184 Ų184138.1 Ų138.186%0.8674%0.744SS**  trans-66.178.9177.1-68.4176.4152.700110.2P708 V712P708-E710 PolarHBondContact O-N 3.01Å; E710-V712 VanDerWaalsContact C-N 3.27Å; E710-V712 PolarHBondContact O-N 3.04Å
711N26.2Very low27.4Very low132 Ų132137.8 Ų137.871%0.70674%0.744SS**  trans-70.296.2159.2-78.66.1000106.3S709 I713S709-N711 PolarHBondContact O-N 3.3Å; N711-I713 PolarHBondContact O-N 3.15Å
712V24.9Very low27.4Very low119 Ų119138.6 Ų138.672%0.72176%0.755SS**  trans-57.697.5171.7-179.40000108.6E710E710-V712 VanDerWaalsContact C-N 3.27Å; E710-V712 PolarHBondContact O-N 3.04Å
713I24.5Very low27.5Very low131 Ų131143.2 Ų143.267%0.67277%0.765SS**  trans-100.3102.1165.9-56-178.1000106.4N711 I715N711-I713 PolarHBondContact O-N 3.15Å; I713-I715 HydrophobicContact CG2-CD1 4.31Å; I713-I715 HydrophobicContact CG2-CG1 3.75Å; I713-I715 PolarHBondContact O-N 3.08Å; I713-I715 VanDerWaalsContact O-N 3.07Å
714H25.2Very low27.4Very low169 Ų169145.8 Ų145.878%0.78278%0.777SS**  trans-57.7109.3161.1-83.3-93.2000108.2
715I26.9Very low27.7Very low147 Ų147149 Ų14975%0.75478%0.784SS**  trans-105.2119.5165.3-59.6-174.8000106.5I713I713-I715 HydrophobicContact CG2-CD1 4.31Å; I713-I715 HydrophobicContact CG2-CG1 3.75Å; I713-I715 PolarHBondContact O-N 3.08Å; I713-I715 VanDerWaalsContact O-N 3.07Å
716N25.7Very low27.7Very low143 Ų143151.1 Ų151.177%0.76579%0.789SS**  trans-60136.5-173.4-76-32.8000111.8N718N716-N718 PolarHBondContact O-N 3.24Å
717N24.7Very low27.7Very low159 Ų159151.1 Ų151.185%0.8579%0.792SS**  trans-61.4105.2158.4-71.2-21.9000108.4
718N25.8Very low27.7Very low143 Ų143152.7 Ų152.777%0.76579%0.794SS**  trans-17191.8154.9-93.5-21.9000108.2N716N716-N718 PolarHBondContact O-N 3.24Å
719N29.8Very low27.5Very low158 Ų158152.3 Ų152.385%0.84579%0.794SS**  -173.8138.8119.8-87.3-21.8000109.7
720N27.7Very low27.4Very low151 Ų151155.4 Ų155.481%0.80780%0.802SS**  trans-69.2135.4-176.3-50.1-69.4000110.4
721D30.8Very low27.4Very low160 Ų160151.1 Ų151.186%0.85679%0.793SS**  trans177.964.8138.7-88.3-18.6000109.9
722D29.5Very low27.4Very low169 Ų169152.3 Ų152.390%0.90480%0.798SS**  trans-144.8100.8168.2-104-37.4000109.4
723K28.3Very low27.5Very low195 Ų195152 Ų15285%0.84880%0.796SS**  trans-120.6139.5161.2-80.4-175178.8174.80108.6
724D29.9Very low27.5Very low139 Ų139151.2 Ų151.274%0.74380%0.797SS**  trans69.185170.2-54.4-36.3000117.4
725I30.8Very low27.7Very low174 Ų174150.4 Ų150.489%0.89280%0.799SS**  -145.8116.7115.8-88.3134.9000108.1
726K31.2Very low27.8Very low185 Ų185153 Ų15380%0.80481%0.805SS**  trans-78.3142.2173-76.9177.5177.31720110.6D728K726-D728 PolarHBondContact O-N 3.4Å
727Q26.4Very low27.9Very low188 Ų188155.6 Ų155.688%0.87981%0.809SS**  trans-72.8102.3169.4-70.1172.8-50.600110.6S729Q727-S729 PolarHBondContact O-N 2.72Å; Q727-S729 VanDerWaalsContact O-N 3.16Å
728D28.4Very low28Very low145 Ų145154.9 Ų154.978%0.77581%0.811SS**  trans-83.188.5166-89.1-9.5000110.9K726 L730K726-D728 PolarHBondContact O-N 3.4Å; D728-L730 VanDerWaalsContact C-N 3.3Å; D728-L730 PolarHBondContact O-N 3.41Å
729S25.5Very low28.1Very low112 Ų112155.3 Ų155.378%0.78381%0.813SS**  trans-71.180.3167.855.70000110.8Q727 S731Q727-S729 PolarHBondContact O-N 2.72Å; Q727-S729 VanDerWaalsContact O-N 3.16Å; S729-S731 PolarHBondContact O-N 3.01Å; S729-S731 VanDerWaalsContact O-N 3.07Å
730L27.8Very low28.1Very low160 Ų160152 Ų15284%0.83880%0.803SS**  trans-69.9105.6177.7-95.5160.9000111.4D728D728-L730 VanDerWaalsContact C-N 3.3Å; D728-L730 PolarHBondContact O-N 3.41Å
731S26.2Very low28.1Very low95 Ų95151.9 Ų151.966%0.66480%0.802SS**  trans-69.6140.8-174.750.90000113.1S729 V733S729-S731 PolarHBondContact O-N 3.01Å; S729-S731 VanDerWaalsContact O-N 3.07Å; S731-V733 PolarHBondContact O-N 3.49Å
732I24.9Very low28Very low156 Ų156150.9 Ų150.980%0.879%0.792SS**  trans-77.291.3177.4-58.3172.7000108.7T734I732-T734 HydrophobicContact CG2-CG2 4.08Å; I732-T734 PolarHBondContact O-N 2.94Å
733V26.8Very low27.9Very low113 Ų113150.3 Ų150.369%0.68579%0.788SS**  trans-78.388.6171.2-177.70000109.7S731 N735S731-V733 PolarHBondContact O-N 3.49Å; V733-N735 PolarHBondContact O-N 3.42Å
734T25Very low27.8Very low115 Ų115148.1 Ų148.171%0.70678%0.779SS**  trans-71.5114.7162.552.40000109.8I732I732-T734 HydrophobicContact CG2-CG2 4.08Å; I732-T734 PolarHBondContact O-N 2.94Å
735N30Very low27.7Very low152 Ų152148 Ų14881%0.81378%0.775SS**  trans-114.7123.3164.8-99.2-25.2000111.3V733V733-N735 PolarHBondContact O-N 3.42Å
736K29.1Very low27.5Very low202 Ų202147.4 Ų147.488%0.87877%0.766SS**  trans-84.9153-179.5-75.6173.3177169.40111
737K26.8Very low27.3Very low196 Ų196145.1 Ų145.185%0.85276%0.762SS**  trans-34.3142.2169.5-58.3166.7172.8-179.80115.6
738T28Very low27.4Very low145 Ų145145 Ų14589%0.8976%0.759SS**  -154.5157.7124.213.50000112.9
739N27.6Very low27.4Very low151 Ų151147.7 Ų147.781%0.80776%0.764SS**  trans-75162.1-152.9-65.5-24.8000119.2
740S28.6Very low27.4Very low90 Ų90152.7 Ų152.763%0.62977%0.772SS**  trans-46.8153.9159.552.50000118.5
741N28.3Very low27.4Very low147 Ų147151 Ų15179%0.78677%0.773SS**  -170124.6113.7-82.8-23000108.2
742Q27.9Very low27.4Very low140 Ų140156 Ų15665%0.65478%0.783SS**  65.199.266.5-85.4-151.565.200116.9
743L28.7Very low27.6Very low157 Ų157157.9 Ų157.982%0.82279%0.785SS**  trans-168.5123.8138.7-95.5142.3000106.1
744K26.2Very low27.6Very low149 Ų149162 Ų16265%0.64879%0.794SS**  57.2123.653.8-69.5172.3-179.7158.40110.8
745M27.3Very low27.6Very low136 Ų136164.2 Ų164.267%0.6780%0.801SS**  cis-164160.822.1-120.6-176.8-166.500113.3
746K27Very low27.5Very low161 Ų161165.8 Ų165.870%0.780%0.801SS**  trans56.2114.3149-64162.1177164.90118.1
747N27.7Very low27.3Very low137 Ų137165.8 Ų165.873%0.73380%0.8SS**  -168.213676.1-99-41.4000116.1
748K26.7Very low27.4Very low186 Ų186164 Ų16481%0.80980%0.8SS**  trans13.2115.1146.8-61.7169.9175.1174.10119.9
749K29Very low27.5Very low202 Ų202161.8 Ų161.888%0.87879%0.791SS**  178.2120.3104-95.4169.2-176.41780113.8
750K24.9Very low27.4Very low217 Ų217160.3 Ų160.394%0.94379%0.791SS**  trans12.9107.5156.6-63.6177.2175.4179.70119.1
751S29.2Very low27.5Very low123 Ų123164.6 Ų164.686%0.8680%0.801SS**  trans-149.5155.7147.265.70000111.5
752K25.8Very low27.8Very low201 Ų201166.1 Ų166.187%0.87480%0.803SS**  trans-93.2136.9-170.5-60.3162.7175.6173.60110.9
753K28.8Very low28.5Very low196 Ų196167.4 Ų167.485%0.85281%0.809SS**  trans162.1130.4131-89.7165.9178.2-1780113.3
754F26Very low30Very low199 Ų199163.1 Ų163.187%0.87379%0.787SS**  trans31.3109.3146.3-73.8-99.5000120.6
755L26Very low32.3Very low161 Ų161158.7 Ų158.784%0.84377%0.774SS**  trans-166.2135.9141.4-105.3146.7000112.2
756K26.9Very low33.9Very low186 Ų186161.3 Ų161.381%0.80978%0.778SS**  trans57.591.3163.3-66.8174.9-175.6179.60119.3
757K26.7Very low36Very low201 Ų201159.8 Ų159.887%0.87477%0.773SS**  trans-92.595.6145-85.6-175.5173.2-178.50109.5
758N27.5Very low38.5Very low160 Ų160158 Ų15886%0.85676%0.761SS**  trans-92.788.5151.4-87.612000106.5C760N758-C760 PolarHBondContact O-N 2.87Å
759S29.8Very low40.8Very low98 Ų98153 Ų15369%0.68574%0.742SS**  trans-74.494.6170.548.60000108.7Q761S759-Q761 PolarHBondContact O-N 3.39Å
760C25.8Very low43.1Very low119 Ų119149.6 Ų149.680%0.80473%0.729SS**  trans-60.9104.8161.6-160.20000106.8N758 Q762N758-C760 PolarHBondContact O-N 2.87Å; C760-Q762 PolarHBondContact O-N 3.12Å
761Q31.1Very low45.8Very low181 Ų181143.6 Ų143.685%0.84670%0.704SS**  trans-67102.2168.4-81.5179.1-3100106.6S759 Q763S759-Q761 PolarHBondContact O-N 3.39Å; Q761-Q763 PolarHBondContact O-N 2.92Å
762Q35.9Very low48.2Very low178 Ų178143.7 Ų143.783%0.83269%0.689SS**  trans-57.9111168.6-111.1170.7-39.900107.4C760 L764C760-Q762 PolarHBondContact O-N 3.12Å; Q762-L764 PolarHBondContact O-N 3.3Å
763Q42.4Very low50.6Low168 Ų168137.7 Ų137.779%0.78567%0.669SS**PPolyproline II helixtrans-61.2117.8173.5-164.9171.539.300106.9Q761 S765Q761-Q763 PolarHBondContact O-N 2.92Å; Q763-S765 PolarHBondContact O-N 2.98Å
764L58.9Low53.1Low67 Ų67133.2 Ų133.235%0.35165%0.65SS.*PPolyproline II helixtrans-56.5137.5-179.7-80.382000109.1Q762 E768 I769 K772Q762-L764 PolarHBondContact O-N 3.3Å; L764-E768 HydrophobicContact CB-CB 4.18Å; L764-E768 HydrophobicContact CD2-CB 3.99Å; L764-E768 HydrophobicContact CG-CB 4.34Å; L764-I769 HydrophobicContact CB-CD1 4.33Å; L764-I769 HydrophobicContact CB-CG1 3.8Å; L764-K772 HydrophobicContact CD2-CD 3.8Å
765S74Confident55.7Low55 Ų55129.7 Ų129.739%0.38563%0.634SS.*PPolyproline II helixtrans-62154171.765.50000110.3Q763 H767 E768 I769Q763-S765 PolarHBondContact O-N 2.98Å; S765-H767 PolarHBondContact O-N 3.18Å; S765-H767 VanDerWaalsContact O-N 3.11Å; S765-E768 VanDerWaalsContact CB-OE2 3.31Å; S765-E768 WeakPolarHBondContact CB-OE2 3.35Å; S765-E768 PolarHBondContact N-OE2 3.13Å; S765-E768 PolarHBondContact O-N 2.96Å; S765-E768 WeakPolarHBondContact OG-CG 3.33Å; S765-E768 PolarHBondContact OG-N 2.82Å; S765-E768 PolarHBondContact OG-OE2 3.22Å; S765-I769 WeakPolarHBondContact O-CG1 3.39Å; S765-I769 PolarHBondContact O-N 3.04Å
766Y61.4Low58Low191 Ų191126.4 Ų126.475%0.74962%0.616SS**Hα-helixtrans-53.1-34.8176.4-82-77.3000112.5I769 E770Y766-I769 PolarHBondContact O-N 3.41Å; Y766-E770 PolarHBondContact O-N 3.14Å
767H72.1Confident60.3Low130 Ų130120 Ų12060%0.60259%0.59SS**Hα-helixtrans-66.1-41.8175.9-172.6-44.5000112.7S765 I769 E770 E771S765-H767 PolarHBondContact O-N 3.18Å; S765-H767 VanDerWaalsContact O-N 3.11Å; H767-I769 VanDerWaalsContact C-N 3.3Å; H767-E770 PolarHBondContact O-N 3.4Å; H767-E771 WeakPolarHBondContact O-CB 3.48Å; H767-E771 WeakPolarHBondContact O-CG 3.49Å; H767-E771 PolarHBondContact O-N 3.27Å
768E78.8Confident62.8Low100 Ų100116.4 Ų116.447%0.46758%0.58SS.*Hα-helixtrans-70.8-28.7176.6-66.8162.5111.400112L764 S765 K772L764-E768 HydrophobicContact CB-CB 4.18Å; L764-E768 HydrophobicContact CD2-CB 3.99Å; L764-E768 HydrophobicContact CG-CB 4.34Å; S765-E768 VanDerWaalsContact CB-OE2 3.31Å; S765-E768 WeakPolarHBondContact CB-OE2 3.35Å; S765-E768 PolarHBondContact N-OE2 3.13Å; S765-E768 PolarHBondContact O-N 2.96Å; S765-E768 WeakPolarHBondContact OG-CG 3.33Å; S765-E768 PolarHBondContact OG-N 2.82Å; S765-E768 PolarHBondContact OG-OE2 3.22Å; E768-K772 WeakPolarHBondContact O-CB 3.25Å; E768-K772 WeakPolarHBondContact O-CG 3.09Å; E768-K772 PolarHBondContact O-N 2.75Å; E768-K772 VanDerWaalsContact O-N 3.1Å
769I75.1Confident65.5Low80 Ų80114.7 Ų114.741%0.4157%0.566SS.*Hα-helixtrans-69.5-46.6170.9-62.5171.7000109.9L764 S765 Y766 H767 E771 K772 V773L764-I769 HydrophobicContact CB-CD1 4.33Å; L764-I769 HydrophobicContact CB-CG1 3.8Å; S765-I769 WeakPolarHBondContact O-CG1 3.39Å; S765-I769 PolarHBondContact O-N 3.04Å; Y766-I769 PolarHBondContact O-N 3.41Å; H767-I769 VanDerWaalsContact C-N 3.3Å; I769-E771 PolarHBondContact O-N 2.99Å; I769-K772 PolarHBondContact O-N 2.97Å; I769-V773 HydrophobicContact CG2-CG2 4.32Å; I769-V773 WeakPolarHBondContact O-CB 3.22Å; I769-V773 VanDerWaalsContact O-CG2 3.29Å; I769-V773 WeakPolarHBondContact O-CG2 3.44Å; I769-V773 PolarHBondContact O-N 2.94Å
770E77.7Confident67.6Low131 Ų131114.7 Ų114.761%0.61256%0.559SS**Hα-helixtrans-59.8-44.7176.9-109-177.3159.400112.3Y766 H767 V773 K774Y766-E770 PolarHBondContact O-N 3.14Å; H767-E770 PolarHBondContact O-N 3.4Å; E770-V773 PolarHBondContact O-N 3.02Å; E770-K774 WeakPolarHBondContact O-CB 3.45Å; E770-K774 PolarHBondContact O-N 3.1Å
771E81.8Confident69.4Low91 Ų91116.4 Ų116.443%0.42556%0.56SS.*Hα-helixtrans-66.5-39.2177.4-75.6-64.1117.100112.3H767 I769 K774 K775H767-E771 WeakPolarHBondContact O-CB 3.48Å; H767-E771 WeakPolarHBondContact O-CG 3.49Å; H767-E771 PolarHBondContact O-N 3.27Å; I769-E771 PolarHBondContact O-N 2.99Å; E771-K774 IonicContact OE1-NZ 2.93Å; E771-K774 PolarHBondContact OE1-NZ 3Å; E771-K775 VanDerWaalsContact O-CB 3.3Å; E771-K775 WeakPolarHBondContact O-CB 3.39Å; E771-K775 PolarHBondContact O-N 3.08Å
772K78.9Confident70.7Confident125 Ų125113.1 Ų113.154%0.54355%0.548SS..Hα-helixtrans-64.8-40.9172.1-80.1-174.6176.6-1730112.5L764 E768 I769 K775 I776L764-K772 HydrophobicContact CD2-CD 3.8Å; E768-K772 WeakPolarHBondContact O-CB 3.25Å; E768-K772 WeakPolarHBondContact O-CG 3.09Å; E768-K772 PolarHBondContact O-N 2.75Å; E768-K772 VanDerWaalsContact O-N 3.1Å; I769-K772 PolarHBondContact O-N 2.97Å; K772-K775 PolarHBondContact O-N 3.1Å; K772-I776 WeakPolarHBondContact O-CB 3.28Å; K772-I776 WeakPolarHBondContact O-CD1 3.43Å; K772-I776 VanDerWaalsContact O-CG1 3.25Å; K772-I776 WeakPolarHBondContact O-CG1 3.41Å; K772-I776 PolarHBondContact O-N 2.9Å
773V77.9Confident71.4Confident74 Ų74110.7 Ų110.745%0.44854%0.535SS..Hα-helixtrans-66.7-45.5177.6169.50000110.8I769 E770 K775 I776 M777I769-V773 HydrophobicContact CG2-CG2 4.32Å; I769-V773 WeakPolarHBondContact O-CB 3.22Å; I769-V773 VanDerWaalsContact O-CG2 3.29Å; I769-V773 WeakPolarHBondContact O-CG2 3.44Å; I769-V773 PolarHBondContact O-N 2.94Å; E770-V773 PolarHBondContact O-N 3.02Å; V773-K775 VanDerWaalsContact C-N 3.33Å; V773-K775 PolarHBondContact O-N 3.02Å; V773-I776 PolarHBondContact O-N 3Å; V773-M777 HydrophobicContact CG1-CG 4.35Å; V773-M777 HydrophobicContact CG1-SD 3.88Å; V773-M777 WeakPolarHBondContact O-CB 3.31Å; V773-M777 VanDerWaalsContact O-CG 3.28Å; V773-M777 WeakPolarHBondContact O-CG 3.33Å; V773-M777 PolarHBondContact O-N 2.95Å
774K79.6Confident71.3Confident103 Ų103114.2 Ų114.245%0.44856%0.559SS.*Hα-helixtrans-56-47.3172.4-84.4-179.5-178.2169.40111.8E770 E771 M777 L778E770-K774 WeakPolarHBondContact O-CB 3.45Å; E770-K774 PolarHBondContact O-N 3.1Å; E771-K774 IonicContact OE1-NZ 2.93Å; E771-K774 PolarHBondContact OE1-NZ 3Å; K774-M777 PolarHBondContact O-N 2.99Å; K774-L778 WeakPolarHBondContact O-CB 3.17Å; K774-L778 WeakPolarHBondContact O-CG 3.46Å; K774-L778 PolarHBondContact O-N 3.17Å
775K81.7Confident71.9Confident125 Ų125116.6 Ų116.654%0.54357%0.569SS.*Hα-helixtrans-61.5-45.6179.6-175.7172172174.50111.5E771 K772 V773 M777 L778 E779E771-K775 VanDerWaalsContact O-CB 3.3Å; E771-K775 WeakPolarHBondContact O-CB 3.39Å; E771-K775 PolarHBondContact O-N 3.08Å; K772-K775 PolarHBondContact O-N 3.1Å; V773-K775 VanDerWaalsContact C-N 3.33Å; V773-K775 PolarHBondContact O-N 3.02Å; K775-M777 VanDerWaalsContact C-N 3.33Å; K775-M777 PolarHBondContact O-N 2.84Å; K775-L778 PolarHBondContact O-N 3.18Å; K775-E779 WeakPolarHBondContact CE-OE1 3.45Å; K775-E779 HydrophobicContact CG-CG 4.41Å; K775-E779 IonicContact NZ-OE1 3.17Å; K775-E779 WeakPolarHBondContact O-CB 3.24Å; K775-E779 VanDerWaalsContact O-CG 3.29Å; K775-E779 WeakPolarHBondContact O-CG 3.15Å; K775-E779 PolarHBondContact O-N 3.11Å
776I74.5Confident71.8Confident92 Ų92119.8 Ų119.847%0.47258%0.579SS.*Hα-helixtrans-62.7-39.1175.1-69.6164.9000111.2K772 V773 E779 N780K772-I776 WeakPolarHBondContact O-CB 3.28Å; K772-I776 WeakPolarHBondContact O-CD1 3.43Å; K772-I776 VanDerWaalsContact O-CG1 3.25Å; K772-I776 WeakPolarHBondContact O-CG1 3.41Å; K772-I776 PolarHBondContact O-N 2.9Å; V773-I776 PolarHBondContact O-N 3Å; I776-E779 PolarHBondContact O-N 2.85Å; I776-N780 WeakPolarHBondContact O-CB 3.28Å; I776-N780 PolarHBondContact O-N 2.76Å; I776-N780 PolarHBondContact O-ND2 3.14Å
777M75Confident72.4Confident51 Ų51115.9 Ų115.925%0.25157%0.57SS.*Hα-helixtrans-68.9-35.4177.6-71.1179.871.900112.8V773 K774 K775 D781 L782 F783V773-M777 HydrophobicContact CG1-CG 4.35Å; V773-M777 HydrophobicContact CG1-SD 3.88Å; V773-M777 WeakPolarHBondContact O-CB 3.31Å; V773-M777 VanDerWaalsContact O-CG 3.28Å; V773-M777 WeakPolarHBondContact O-CG 3.33Å; V773-M777 PolarHBondContact O-N 2.95Å; K774-M777 PolarHBondContact O-N 2.99Å; K775-M777 VanDerWaalsContact C-N 3.33Å; K775-M777 PolarHBondContact O-N 2.84Å; M777-D781 PolarHBondContact O-N 2.85Å; M777-L782 HydrophobicContact CB-CB 4.11Å; M777-L782 HydrophobicContact CE-CB 4.24Å; M777-L782 WeakPolarHBondContact CE-O 3.34Å; M777-L782 HydrophobicContact CG-CB 4.24Å; M777-L782 PolarHBondContact O-N 2.86Å; M777-F783 HydrophobicContact CB-CD2 3.66Å; M777-F783 HydrophobicContact CB-CE2 3.63Å; M777-F783 HydrophobicContact CE-CD1 4.41Å; M777-F783 HydrophobicContact CE-CD2 3.76Å; M777-F783 HydrophobicContact CE-CE1 4.07Å; M777-F783 HydrophobicContact CE-CE2 3.36Å; M777-F783 HydrophobicContact CE-CG 4.26Å; M777-F783 HydrophobicContact CE-CZ 3.53Å; M777-F783 HydrophobicContact CG-CE2 4.19Å; M777-F783 HydrophobicContact SD-CD2 4.35Å; M777-F783 HydrophobicContact SD-CE2 3.56Å; M777-F783 VanDerWaalsContact SD-CE2 3.56Å; M777-F783 HydrophobicContact SD-CZ 3.92Å
778L80.1Confident72.4Confident125 Ų125115.1 Ų115.165%0.65457%0.568SS**Hα-helixtrans-69.6-36.6171.6-76.2163.8000112.5K774 K775 N780K774-L778 WeakPolarHBondContact O-CB 3.17Å; K774-L778 WeakPolarHBondContact O-CG 3.46Å; K774-L778 PolarHBondContact O-N 3.17Å; K775-L778 PolarHBondContact O-N 3.18Å; L778-N780 PolarHBondContact O-N 2.9Å
779E83.2Confident72Confident124 Ų124116 Ų11658%0.57957%0.574SS**THydrogen-bonded Turntrans-74-5.8177.7-74.2173.3163.900113.7K775 I776K775-E779 WeakPolarHBondContact CE-OE1 3.45Å; K775-E779 HydrophobicContact CG-CG 4.41Å; K775-E779 IonicContact NZ-OE1 3.17Å; K775-E779 WeakPolarHBondContact O-CB 3.24Å; K775-E779 VanDerWaalsContact O-CG 3.29Å; K775-E779 WeakPolarHBondContact O-CG 3.15Å; K775-E779 PolarHBondContact O-N 3.11Å; I776-E779 PolarHBondContact O-N 2.85Å
780N74.3Confident71.8Confident99 Ų99118.4 Ų118.453%0.52959%0.585SS.*THydrogen-bonded Turntrans-130.215.6-177-70.2-92.1000113.6I776 L778 L782I776-N780 WeakPolarHBondContact O-CB 3.28Å; I776-N780 PolarHBondContact O-N 2.76Å; I776-N780 PolarHBondContact O-ND2 3.14Å; L778-N780 PolarHBondContact O-N 2.9Å; N780-L782 VanDerWaalsContact C-N 3.28Å; N780-L782 HydrophobicContact CB-CD1 3.92Å; N780-L782 HydrophobicContact CB-CG 4.07Å; N780-L782 PolarHBondContact O-N 3.49Å
781D63.7Low71.4Confident155 Ų155117.5 Ų117.583%0.82958%0.583SS**THydrogen-bonded Turntrans51.841.2-179.1-58.9-38.9000113.8M777M777-D781 PolarHBondContact O-N 2.85Å
782L58.9Low70.6Confident112 Ų112119.5 Ų119.559%0.58660%0.595SS**  trans-98.316.9-176.5-70.9171.8000114.3M777 N780M777-L782 HydrophobicContact CB-CB 4.11Å; M777-L782 HydrophobicContact CE-CB 4.24Å; M777-L782 WeakPolarHBondContact CE-O 3.34Å; M777-L782 HydrophobicContact CG-CB 4.24Å; M777-L782 PolarHBondContact O-N 2.86Å; N780-L782 VanDerWaalsContact C-N 3.28Å; N780-L782 HydrophobicContact CB-CD1 3.92Å; N780-L782 HydrophobicContact CB-CG 4.07Å; N780-L782 PolarHBondContact O-N 3.49Å
783F50Low69.9Low127 Ų127119.1 Ų119.156%0.55760%0.599SS**  trans-131.6123.4170.5-87-72.3000110M777M777-F783 HydrophobicContact CB-CD2 3.66Å; M777-F783 HydrophobicContact CB-CE2 3.63Å; M777-F783 HydrophobicContact CE-CD1 4.41Å; M777-F783 HydrophobicContact CE-CD2 3.76Å; M777-F783 HydrophobicContact CE-CE1 4.07Å; M777-F783 HydrophobicContact CE-CE2 3.36Å; M777-F783 HydrophobicContact CE-CG 4.26Å; M777-F783 HydrophobicContact CE-CZ 3.53Å; M777-F783 HydrophobicContact CG-CE2 4.19Å; M777-F783 HydrophobicContact SD-CD2 4.35Å; M777-F783 HydrophobicContact SD-CE2 3.56Å; M777-F783 VanDerWaalsContact SD-CE2 3.56Å; M777-F783 HydrophobicContact SD-CZ 3.92Å
784D40.2Very low69.2Low242 Ų242123.2 Ų123.2100%1.29461%0.613SS**  trans-750150-67.8-44000109.6

Retrieved 784 of 784 residues in 363.8 ms (Link to these results)

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