A0A5K4F6Q6_SCHMA Loading...

FHA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6Q6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 804 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
1M32.6Very low46Very low162 Ų162130.2 Ų130.280%0.79872%0.717SS**  061.10-62.3-71.4179.900111.3R694 E698M1-R694 VanDerWaalsContact CE-CD 3.4Å; M1-R694 HydrophobicContact CE-CG 4.01Å; M1-E698 VanDerWaalsContact CE-CD 3.4Å; M1-E698 WeakPolarHBondContact CE-OE1 3.42Å; M1-E698 WeakPolarHBondContact CE-OE2 3.49Å
2S42.7Very low49.4Very low132 Ų132126.1 Ų126.192%0.92369%0.689SS**  trans-130.62.4172.5-590000112.9
3G33.9Very low52.6Low70 Ų70117 Ų11772%0.72264%0.64SS**SBendtrans-121.8106.9172.900000109.2
4S40Very low55.4Low98 Ų98110 Ų11069%0.68560%0.602SS**SBendtrans178.2-18.6160.3175.20000111.8I6S4-I6 PolarHBondContact O-N 3.25Å
5L41.9Very low58Low149 Ų149102.7 Ų102.778%0.7856%0.562SS**THydrogen-bonded Turntrans-72.61.1178.4-83.7165.1000115.4
6I45.2Very low60.3Low130 Ų13098 Ų9867%0.66754%0.538SS*.THydrogen-bonded Turntrans-93.5-30.6-176.6-60.2171.1000111.8S4 Q8 R9S4-I6 PolarHBondContact O-N 3.25Å; I6-Q8 PolarHBondContact O-N 3.44Å; I6-R9 PolarHBondContact O-N 3.43Å
7S46.9Very low62.4Low79 Ų7992.2 Ų92.255%0.55251%0.506SS*.THydrogen-bonded Turntrans-69-9.4-171.3-40.40000115.3
8Q45.4Very low64.1Low196 Ų19689.7 Ų89.792%0.91649%0.494SS*.THydrogen-bonded Turntrans-104.10.6172.7-71.1-171.7-11.400113.7I6I6-Q8 PolarHBondContact O-N 3.44Å
9R48.1Very low65.7Low109 Ų10986.9 Ų86.941%0.41148%0.481SS..  trans-108.916.9-177-71-176.6177.8177.81.1113.4I6 E11 Q12I6-R9 PolarHBondContact O-N 3.43Å; R9-E11 PolarHBondContact O-N 2.8Å; R9-Q12 PolarHBondContact O-N 3.05Å
10E56.2Low67Low138 Ų13883.3 Ų83.365%0.64546%0.46SS*.THydrogen-bonded Turntrans-63.312-162.8-67.3-173.3160.600117.3P136E10-P136 CarbonylContact C-O 3.59Å
11E73.4Confident67.8Low169 Ų16985.1 Ų85.179%0.7946%0.46SS*.THydrogen-bonded Turntrans-137.818.7180-63.3-172.4167.100114.3R9 P136R9-E11 PolarHBondContact O-N 2.8Å; E11-P136 WeakPolarHBondContact CA-O 3.46Å
12Q86.6Confident70.4Confident81 Ų8181.9 Ų81.938%0.37945%0.446SS..SBendtrans-128.9141.8-178.7-61.8-178.925.800112.6R9 V14 I32 N34R9-Q12 PolarHBondContact O-N 3.05Å; Q12-V14 PolarHBondContact O-N 3.42Å; Q12-I32 HydrophobicContact CB-CG2 3.94Å; Q12-N34 PolarHBondContact OE1-ND2 2.9Å
13P90.6Very high72.7Confident8 Ų876.1 Ų76.15%0.05241%0.406CS..  trans-71130.1178.230.4-32.1000109.9L33 H69 F74 Y134 P136P13-L33 HydrophobicContact CB-CB 4.27Å; P13-L33 HydrophobicContact CG-CB 4.01Å; P13-L33 WeakPolarHBondContact CG-O 3.48Å; P13-L33 PolarHBondContact O-N 3.49Å; P13-H69 HydrophobicContact CB-CB 4.08Å; P13-H69 HydrophobicContact CG-CB 4.08Å; P13-F74 HydrophobicContact CB-CE1 4.14Å; P13-F74 HydrophobicContact CB-CZ 4.22Å; P13-Y134 CarbonylContact C-O 3.58Å; P13-Y134 VanDerWaalsContact CA-O 3.25Å; P13-Y134 WeakPolarHBondContact CA-O 3.27Å; P13-P136 HydrophobicContact CB-CG 4.26Å; P13-P136 HydrophobicContact CG-CG 4.47Å
14V92.5Very high75.5Confident19 Ų1975.8 Ų75.812%0.11539%0.385CS..EExtended strand (participates in β ladder)trans-118.3132-175.7-177.10000110.6Q12 V16 I30 Y134Q12-V14 PolarHBondContact O-N 3.42Å; V14-V16 HydrophobicContact CG1-CG2 4.11Å; V14-I30 HydrophobicContact CG1-CG2 3.68Å; V14-Y134 HydrophobicContact CB-CD2 4.39Å; V14-Y134 PolarHBondContact N-O 3.48Å; V14-Y134 PolarHBondContact O-N 3.46Å
15L94.2Very high78Confident0 Ų076.2 Ų76.20%039%0.386CS..EExtended strand (participates in β ladder)trans-107.2123.1170.1165.366.9000109.2L17 I31 L33 I67 V131 L133L15-L17 HydrophobicContact CD1-CD2 3.82Å; L15-L17 HydrophobicContact CD1-CG 4.19Å; L15-L17 HydrophobicContact CD2-CD1 4.45Å; L15-L17 HydrophobicContact CD2-CD2 4.48Å; L15-L17 HydrophobicContact CD2-CG 4.34Å; L15-L17 HydrophobicContact CG-CD2 4.3Å; L15-L17 HydrophobicContact CG-CG 4.15Å; L15-I31 HydrophobicContact CB-CB 4.36Å; L15-I31 HydrophobicContact CD2-CB 4.49Å; L15-I31 HydrophobicContact CD2-CD1 4.23Å; L15-I31 PolarHBondContact N-O 3.4Å; L15-I31 PolarHBondContact O-N 3.35Å; L15-L33 HydrophobicContact CB-CD1 3.62Å; L15-L33 HydrophobicContact CB-CD2 4.34Å; L15-L33 HydrophobicContact CB-CG 3.86Å; L15-L33 HydrophobicContact CD2-CD1 4.46Å; L15-L33 HydrophobicContact CD2-CD2 4.23Å; L15-I67 HydrophobicContact CD2-CD1 3.9Å; L15-I67 HydrophobicContact CD2-CG2 4.05Å; L15-V131 HydrophobicContact CD1-CG1 3.47Å; L15-V131 VanDerWaalsContact CD1-CG1 3.47Å; L15-L133 HydrophobicContact CB-CD2 4.35Å; L15-L133 HydrophobicContact CD1-CD2 3.47Å; L15-L133 VanDerWaalsContact CD1-CD2 3.47Å
16V94.8Very high80.5Confident28 Ų2870.5 Ų70.517%0.1736%0.355CS..EExtended strand (participates in β ladder)trans-110.1123.6171.1-173.50000109.2V14 R29 I30 V131 A132 Y134V14-V16 HydrophobicContact CG1-CG2 4.11Å; V16-R29 CarbonylContact C-O 3.58Å; V16-R29 VanDerWaalsContact CA-O 3.23Å; V16-R29 WeakPolarHBondContact CA-O 3.29Å; V16-I30 HydrophobicContact CG1-CG1 4.39Å; V16-I30 HydrophobicContact CG2-CG1 4.35Å; V16-I30 HydrophobicContact CG2-CG2 4.45Å; V16-V131 WeakPolarHBondContact O-CA 3.42Å; V16-A132 HydrophobicContact CB-CB 4.2Å; V16-A132 PolarHBondContact N-O 3Å; V16-A132 PolarHBondContact O-N 2.82Å; V16-Y134 HydrophobicContact CG2-CD2 4.4Å; V16-Y134 HydrophobicContact CG2-CE2 3.99Å
17L95.2Very high82.7Confident0 Ų070.6 Ų70.60%035%0.352CS..EExtended strand (participates in β ladder)trans-109114.3174.1-62.7175.6000108.7L15 F26 D28 R29 I31 F55 A129 V131L15-L17 HydrophobicContact CD1-CD2 3.82Å; L15-L17 HydrophobicContact CD1-CG 4.19Å; L15-L17 HydrophobicContact CD2-CD1 4.45Å; L15-L17 HydrophobicContact CD2-CD2 4.48Å; L15-L17 HydrophobicContact CD2-CG 4.34Å; L15-L17 HydrophobicContact CG-CD2 4.3Å; L15-L17 HydrophobicContact CG-CG 4.15Å; L17-F26 HydrophobicContact CB-CE2 4.4Å; L17-D28 VanDerWaalsContact O-CA 3.29Å; L17-D28 WeakPolarHBondContact O-CA 3.45Å; L17-R29 HydrophobicContact CB-CB 4.24Å; L17-R29 PolarHBondContact N-O 3.2Å; L17-R29 PolarHBondContact O-N 3.48Å; L17-I31 HydrophobicContact CD1-CD1 4.17Å; L17-F55 HydrophobicContact CD1-CZ 4.05Å; L17-A129 HydrophobicContact CB-CB 4.19Å; L17-A129 HydrophobicContact CD2-CB 4.12Å; L17-V131 HydrophobicContact CD2-CG2 4.21Å
18T94.6Very high84.9Confident47 Ų4770.9 Ų70.929%0.28835%0.348SS..EExtended strand (participates in β ladder)trans-102.6128.7-180-49.40000109.8Q20 D28 A129 Q130T18-Q20 PolarHBondContact O-N 2.95Å; T18-D28 WeakPolarHBondContact CA-OD1 3.18Å; T18-A129 CarbonylContact O-C 3.59Å; T18-A129 VanDerWaalsContact O-CA 3.23Å; T18-A129 WeakPolarHBondContact O-CA 3.39Å; T18-Q130 PolarHBondContact N-O 3.16Å; T18-Q130 PolarHBondContact O-N 2.89Å
19C93.5Very high87.2Confident37 Ų3762.1 Ų62.125%0.2531%0.306CS..EExtended strand (participates in β ladder)trans-66.3131.1-177.9-172.20000111.8F26 D28C19-F26 HydrophobicContact CB-CD1 3.84Å; C19-F26 HydrophobicContact CB-CD2 4.16Å; C19-F26 HydrophobicContact CB-CE1 3.61Å; C19-F26 HydrophobicContact CB-CE2 3.95Å; C19-F26 HydrophobicContact CB-CG 4.11Å; C19-F26 HydrophobicContact CB-CZ 3.67Å; C19-F26 VanDerWaalsContact CB-O 3.27Å; C19-F26 WeakPolarHBondContact CB-O 3.44Å; C19-F26 WeakPolarHBondContact SG-CD1 3.3Å; C19-F26 VanDerWaalsContact SG-CE1 3.58Å; C19-D28 PolarHBondContact N-OD1 3.45Å
20Q91.1Very high89.4Confident13 Ų1360.9 Ų60.96%0.06131%0.307CS..PPolyproline II helixtrans-91157.9174.2-69.9-65.1-42.100111.7T18 D22 S23 I128 Q130 H170T18-Q20 PolarHBondContact O-N 2.95Å; Q20-D22 PolarHBondContact O-N 3.01Å; Q20-S23 WeakPolarHBondContact O-CB 3.34Å; Q20-S23 PolarHBondContact O-N 3.39Å; Q20-S23 VanDerWaalsContact O-N 3.16Å; Q20-I128 HydrophobicContact CB-CB 4.03Å; Q20-I128 HydrophobicContact CB-CG2 3.86Å; Q20-I128 WeakPolarHBondContact CB-O 3.34Å; Q20-I128 HydrophobicContact CG-CG2 3.99Å; Q20-I128 PolarHBondContact N-O 3.44Å; Q20-I128 VanDerWaalsContact N-O 3.1Å; Q20-Q130 VanDerWaalsContact NE2-CB 3.28Å; Q20-H170 PolarHBondContact OE1-CE1 3.28Å; Q20-H170 VanDerWaalsContact OE1-CE1 3.25Å; Q20-H170 PolarHBondContact OE1-NE2 3.03Å
21R84.6Confident91.2Very high123 Ų12354.4 Ų54.446%0.46428%0.277SS..THydrogen-bonded Turntrans-60.1-39.7-175.765.6175.4-173.5-149.7-12.2114.1S23 S173R21-S23 PolarHBondContact O-N 3.2Å; R21-S173 PolarHBondContact NH1-O 3.36Å; R21-S173 VanDerWaalsContact NH1-O 3.11Å; R21-S173 PolarHBondContact NH1-OG 3.36Å; R21-S173 PolarHBondContact NH2-OG 3.29Å
22D86.1Confident92Very high94 Ų9448.9 Ų48.950%0.50325%0.252SS..THydrogen-bonded Turntrans-87.31.7-175.9-57-46.1000111Q20 I128Q20-D22 PolarHBondContact O-N 3.01Å; D22-I128 HydrophobicContact CB-CD1 4.08Å
23S91.6Very high92.2Very high10 Ų1045.2 Ų45.27%0.0724%0.235CC..SBendtrans-79.9153.3175.7-174.60000110.9Q20 R21 C126 I127 I128Q20-S23 WeakPolarHBondContact O-CB 3.34Å; Q20-S23 PolarHBondContact O-N 3.39Å; Q20-S23 VanDerWaalsContact O-N 3.16Å; R21-S23 PolarHBondContact O-N 3.2Å; S23-C126 PolarHBondContact OG-O 2.93Å; S23-I127 WeakPolarHBondContact OG-CA 3.43Å; S23-I128 WeakPolarHBondContact CB-O 3.41Å; S23-I128 PolarHBondContact OG-N 3.46Å; S23-I128 PolarHBondContact OG-O 2.93Å
24H92.8Very high91.9Very high63 Ų6349.9 Ų49.929%0.29226%0.26SS..PPolyproline II helixtrans-53.4129.3154.2-177.9-71000109.7F26 D56 G125 C126 I127H24-F26 PolarHBondContact O-N 3.27Å; H24-D56 PolarHBondContact CE1-O 3.06Å; H24-G125 WeakPolarHBondContact CB-O 3.48Å; H24-C126 WeakPolarHBondContact CB-O 3.37Å; H24-C126 PolarHBondContact N-O 2.96Å; H24-I127 HydrophobicContact CB-CD1 3.88Å
25P92.3Very high91.7Very high107 Ų10755.9 Ų55.970%0.69529%0.286SS*.PPolyproline II helixtrans-57.5133-173.8-2734.2000112.9
26F93.9Very high91.6Very high30 Ų3061 Ų6113%0.13231%0.312CS..  trans-148.5158168.370.9-90.4000110.6L17 C19 H24 R29 F55 I127 A129L17-F26 HydrophobicContact CB-CE2 4.4Å; C19-F26 HydrophobicContact CB-CD1 3.84Å; C19-F26 HydrophobicContact CB-CD2 4.16Å; C19-F26 HydrophobicContact CB-CE1 3.61Å; C19-F26 HydrophobicContact CB-CE2 3.95Å; C19-F26 HydrophobicContact CB-CG 4.11Å; C19-F26 HydrophobicContact CB-CZ 3.67Å; C19-F26 VanDerWaalsContact CB-O 3.27Å; C19-F26 WeakPolarHBondContact CB-O 3.44Å; C19-F26 WeakPolarHBondContact SG-CD1 3.3Å; C19-F26 VanDerWaalsContact SG-CE1 3.58Å; H24-F26 PolarHBondContact O-N 3.27Å; F26-R29 HydrophobicContact CD2-CG 4.26Å; F26-R29 HydrophobicContact CE2-CG 4.36Å; F26-F55 HydrophobicContact CB-CD1 3.98Å; F26-F55 HydrophobicContact CB-CE1 4.2Å; F26-F55 HydrophobicContact CD1-CD1 4.26Å; F26-F55 HydrophobicContact CD1-CE1 4.03Å; F26-F55 HydrophobicContact CD2-CD1 4.22Å; F26-F55 AromaticContact CD2-CE1 3.56Å; F26-F55 HydrophobicContact CD2-CE1 3.56Å; F26-F55 HydrophobicContact CE1-CE1 4.28Å; F26-F55 AromaticContact CE2-CE1 3.87Å; F26-F55 HydrophobicContact CE2-CE1 3.87Å; F26-F55 AromaticContact CG-CD1 3.91Å; F26-F55 HydrophobicContact CG-CD1 3.91Å; F26-F55 AromaticContact CG-CE1 3.67Å; F26-F55 HydrophobicContact CG-CE1 3.67Å; F26-F55 HydrophobicContact CZ-CE1 4.21Å; F26-I127 HydrophobicContact CD1-CD1 3.92Å; F26-I127 HydrophobicContact CD1-CG2 4.11Å; F26-I127 HydrophobicContact CE1-CG2 3.77Å; F26-I127 HydrophobicContact CZ-CG2 4.47Å; F26-A129 HydrophobicContact CE1-CB 4.38Å; F26-A129 HydrophobicContact CZ-CB 3.76Å
27Q92.2Very high91.5Very high131 Ų13160.7 Ų60.761%0.61231%0.31SS*.  trans-81.4139.7173.8-68.2179.41.100110.5R29Q27-R29 WeakPolarHBondContact O-CG 3.48Å; Q27-R29 PolarHBondContact O-N 3.18Å
28D93.7Very high91.5Very high86 Ų8665 Ų6546%0.4633%0.329SS..  trans-49.8138.2177.4-60.7-17.1000112.1L17 T18 C19L17-D28 VanDerWaalsContact O-CA 3.29Å; L17-D28 WeakPolarHBondContact O-CA 3.45Å; T18-D28 WeakPolarHBondContact CA-OD1 3.18Å; C19-D28 PolarHBondContact N-OD1 3.45Å
29R92.9Very high91.5Very high12 Ų1262.8 Ų62.85%0.04532%0.315CS..EExtended strand (participates in β ladder)trans-116.6131.3-171.9-48.7-155-179-145.71.7110.3V16 L17 F26 Q27 I31 T49 K50 N52 I54V16-R29 CarbonylContact C-O 3.58Å; V16-R29 VanDerWaalsContact CA-O 3.23Å; V16-R29 WeakPolarHBondContact CA-O 3.29Å; L17-R29 HydrophobicContact CB-CB 4.24Å; L17-R29 PolarHBondContact N-O 3.2Å; L17-R29 PolarHBondContact O-N 3.48Å; F26-R29 HydrophobicContact CD2-CG 4.26Å; F26-R29 HydrophobicContact CE2-CG 4.36Å; Q27-R29 WeakPolarHBondContact O-CG 3.48Å; Q27-R29 PolarHBondContact O-N 3.18Å; R29-I31 HydrophobicContact CB-CD1 4.18Å; R29-I31 HydrophobicContact CB-CG1 4.13Å; R29-T49 PolarHBondContact NH1-O 3.27Å; R29-K50 CarbonylContact C-O 3.28Å; R29-K50 VanDerWaalsContact CA-O 3.28Å; R29-K50 WeakPolarHBondContact CA-O 3.22Å; R29-N52 WeakPolarHBondContact CD-O 3.35Å; R29-N52 PolarHBondContact NH1-O 3.02Å; R29-N52 PolarHBondContact NH1-OD1 3.48Å; R29-I54 PolarHBondContact NH1-O 3.35Å; R29-I54 PolarHBondContact NH2-O 3.04Å
30I94Very high91.6Very high83 Ų8361 Ų6143%0.42630%0.303SS..EExtended strand (participates in β ladder)trans-117107175.9-55.7173.9000106.7V14 V16 K50 N51V14-I30 HydrophobicContact CG1-CG2 3.68Å; V16-I30 HydrophobicContact CG1-CG1 4.39Å; V16-I30 HydrophobicContact CG2-CG1 4.35Å; V16-I30 HydrophobicContact CG2-CG2 4.45Å; I30-K50 PolarHBondContact N-O 2.93Å; I30-N51 WeakPolarHBondContact O-CA 3.4Å
31I93.5Very high91.8Very high1 Ų164.1 Ų64.11%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-118.7131.6-169.5-52.2174.2000108.3L15 L17 R29 I37 N52 A53L15-I31 HydrophobicContact CB-CB 4.36Å; L15-I31 HydrophobicContact CD2-CB 4.49Å; L15-I31 HydrophobicContact CD2-CD1 4.23Å; L15-I31 PolarHBondContact N-O 3.4Å; L15-I31 PolarHBondContact O-N 3.35Å; L17-I31 HydrophobicContact CD1-CD1 4.17Å; R29-I31 HydrophobicContact CB-CD1 4.18Å; R29-I31 HydrophobicContact CB-CG1 4.13Å; I31-I37 HydrophobicContact CG2-CD1 3.95Å; I31-I37 HydrophobicContact CG2-CG1 3.77Å; I31-I37 HydrophobicContact CG2-CG2 4.14Å; I31-N52 VanDerWaalsContact CD1-C 3.42Å; I31-A53 HydrophobicContact CD1-CB 3.75Å
32I91.6Very high92.2Very high53 Ų5359.8 Ų59.827%0.27230%0.302SS..EExtended strand (participates in β ladder)trans-90.4125.7175.7-63.1175000108.2Q12 N34Q12-I32 HydrophobicContact CB-CG2 3.94Å; I32-N34 WeakPolarHBondContact CG2-ND2 3.5Å; I32-N34 WeakPolarHBondContact CG2-OD1 3.33Å; I32-N34 PolarHBondContact O-N 2.93Å
33L89.8Confident92.5Very high4 Ų457.8 Ų57.82%0.02129%0.294CS..  trans-96.150.3-173.7-69.3175.7000113P13 L15 E35 I37 I67 H69 F74P13-L33 HydrophobicContact CB-CB 4.27Å; P13-L33 HydrophobicContact CG-CB 4.01Å; P13-L33 WeakPolarHBondContact CG-O 3.48Å; P13-L33 PolarHBondContact O-N 3.49Å; L15-L33 HydrophobicContact CB-CD1 3.62Å; L15-L33 HydrophobicContact CB-CD2 4.34Å; L15-L33 HydrophobicContact CB-CG 3.86Å; L15-L33 HydrophobicContact CD2-CD1 4.46Å; L15-L33 HydrophobicContact CD2-CD2 4.23Å; L33-E35 VanDerWaalsContact C-N 3.34Å; L33-I37 HydrophobicContact CD2-CB 4.01Å; L33-I37 HydrophobicContact CD2-CG1 3.56Å; L33-I67 HydrophobicContact CD1-CG2 4.26Å; L33-I67 HydrophobicContact CD2-CG2 4.09Å; L33-H69 HydrophobicContact CB-CB 4.03Å; L33-H69 HydrophobicContact CD1-CB 4.48Å; L33-F74 HydrophobicContact CD1-CD1 3.52Å; L33-F74 HydrophobicContact CD1-CE1 3.5Å; L33-F74 VanDerWaalsContact CD1-CE1 3.5Å
34N85.4Confident92.2Very high107 Ų10762.4 Ų62.457%0.57233%0.333SS*.SBendtrans-75.5-28.1174.9-65.3-16.4000112.4Q12 I32Q12-N34 PolarHBondContact OE1-ND2 2.9Å; I32-N34 WeakPolarHBondContact CG2-ND2 3.5Å; I32-N34 WeakPolarHBondContact CG2-OD1 3.33Å; I32-N34 PolarHBondContact O-N 2.93Å
35E88.3Confident92Very high145 Ų14571 Ų7168%0.67836%0.362SS*.SBendtrans-128.9174.3178.462.4-179.1-177.800110.3L33 I37L33-E35 VanDerWaalsContact C-N 3.34Å; E35-I37 HydrophobicContact CG-CD1 4.34Å; E35-I37 PolarHBondContact O-N 3.47Å; E35-I37 VanDerWaalsContact O-N 3.15Å
36I91.2Very high91.8Very high106 Ų10667.3 Ų67.354%0.54434%0.341SS..  trans-69.3113.6176.5-57.8172.3000108.6L66 W68I36-L66 HydrophobicContact CG2-CB 3.96Å; I36-L66 HydrophobicContact CG2-CD1 4.22Å; I36-L66 HydrophobicContact CG2-CD2 4.07Å; I36-L66 HydrophobicContact CG2-CG 4.29Å; I36-W68 HydrophobicContact CB-CB 4.32Å; I36-W68 HydrophobicContact CG1-CB 3.92Å; I36-W68 HydrophobicContact CG1-CG 4.33Å; I36-W68 HydrophobicContact CG2-CB 4.38Å; I36-W68 HydrophobicContact CG2-CE3 4.47Å
37I93.6Very high91.7Very high22 Ų2273 Ų7311%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-86.3129.2178.7-64.6-60.4000110.1I31 L33 E35 A53 L66 I67I31-I37 HydrophobicContact CG2-CD1 3.95Å; I31-I37 HydrophobicContact CG2-CG1 3.77Å; I31-I37 HydrophobicContact CG2-CG2 4.14Å; L33-I37 HydrophobicContact CD2-CB 4.01Å; L33-I37 HydrophobicContact CD2-CG1 3.56Å; E35-I37 HydrophobicContact CG-CD1 4.34Å; E35-I37 PolarHBondContact O-N 3.47Å; E35-I37 VanDerWaalsContact O-N 3.15Å; I37-A53 HydrophobicContact CG2-CB 3.78Å; I37-L66 WeakPolarHBondContact O-CA 3.4Å; I37-I67 PolarHBondContact N-O 3.47Å; I37-I67 PolarHBondContact O-N 2.91Å
38K94.2Very high91.7Very high92 Ų9269.5 Ų69.540%0.436%0.355SS..EExtended strand (participates in β ladder)trans-89.2124175.9-177.7-179.8172.4-177.50111.4R62 S63 L66K38-R62 WeakPolarHBondContact CE-O 3.32Å; K38-R62 PolarHBondContact NZ-O 2.94Å; K38-S63 VanDerWaalsContact CE-CA 3.48Å; K38-S63 WeakPolarHBondContact CE-OG 3.44Å; K38-L66 HydrophobicContact CB-CD2 4.09Å; K38-L66 HydrophobicContact CG-CD2 4.22Å
39V95.5Very high91.6Very high0 Ų068.3 Ų68.30%035%0.351CS..EExtended strand (participates in β ladder)trans-92.4131.6168.2-172.40000109.4A53 F55 H64 A65 I67 F113V39-A53 WeakPolarHBondContact CA-O 3.38Å; V39-A53 HydrophobicContact CB-CB 4.26Å; V39-A53 HydrophobicContact CG1-CB 4.44Å; V39-A53 HydrophobicContact CG2-CB 3.78Å; V39-F55 HydrophobicContact CG1-CD2 4.42Å; V39-F55 HydrophobicContact CG1-CE2 4.08Å; V39-H64 PolarHBondContact O-N 2.72Å; V39-A65 WeakPolarHBondContact CA-O 3.41Å; V39-A65 HydrophobicContact CB-CB 4.04Å; V39-A65 WeakPolarHBondContact CB-O 3.19Å; V39-A65 HydrophobicContact CG2-CB 4.28Å; V39-A65 PolarHBondContact N-O 3.46Å; V39-A65 PolarHBondContact O-N 3.02Å; V39-I67 HydrophobicContact CG2-CD1 3.69Å; V39-I67 HydrophobicContact CG2-CG1 3.92Å; V39-F113 HydrophobicContact CB-CE1 4.49Å; V39-F113 HydrophobicContact CG1-CD1 4.19Å; V39-F113 HydrophobicContact CG1-CD2 4.16Å; V39-F113 HydrophobicContact CG1-CE1 3.99Å; V39-F113 HydrophobicContact CG1-CE2 3.97Å; V39-F113 HydrophobicContact CG1-CG 4.26Å; V39-F113 HydrophobicContact CG1-CZ 3.87Å; V39-F113 HydrophobicContact CG2-CE1 4.39Å; V39-F113 HydrophobicContact CG2-CZ 4.12Å
40G94.9Very high91.6Very high0 Ų074.4 Ų74.40%038%0.378CS..EExtended strand (participates in β ladder)trans177.1-177.917500000114.8A53 I54 F55 S61G40-A53 PolarHBondContact N-O 3.04Å; G40-I54 CarbonylContact O-C 3.43Å; G40-I54 WeakPolarHBondContact O-CA 3.36Å; G40-F55 PolarHBondContact O-N 3.49Å; G40-S61 CarbonylContact C-O 3.56Å; G40-S61 VanDerWaalsContact CA-O 3.3Å; G40-S61 WeakPolarHBondContact CA-O 3.4Å
41R94.6Very high91.4Very high77 Ų7775.8 Ų75.829%0.29139%0.386SS..EExtended strand (participates in β ladder)trans-75.2145.8178.3-169.6171.375.8-158.810.2112.2F55 C57 K58 L60 S61R41-F55 CarbonylContact C-O 3.46Å; R41-F55 VanDerWaalsContact CA-O 3.27Å; R41-F55 WeakPolarHBondContact CA-O 3.44Å; R41-C57 WeakPolarHBondContact CD-O 3.49Å; R41-C57 VanDerWaalsContact CG-O 3.23Å; R41-C57 WeakPolarHBondContact CG-O 3.43Å; R41-K58 PolarHBondContact NH1-O 3.38Å; R41-L60 HydrophobicContact CB-CB 3.94Å; R41-L60 WeakPolarHBondContact CB-O 3.42Å; R41-L60 WeakPolarHBondContact CD-O 3.46Å; R41-L60 PolarHBondContact NH1-O 2.98Å; R41-S61 PolarHBondContact N-O 3.5Å
42S94.6Very high91.4Very high32 Ų3277.4 Ų77.422%0.22439%0.394CS..  trans-55.9139.2173.1-169.60000112.3A46 P48 F55S42-A46 WeakPolarHBondContact CA-O 3.28Å; S42-A46 PolarHBondContact OG-O 3.19Å; S42-A46 VanDerWaalsContact OG-O 3.07Å; S42-P48 WeakPolarHBondContact OG-CD 3.21Å; S42-F55 PolarHBondContact N-O 3.17Å
43V92Very high91.6Very high52 Ų5275 Ų7532%0.31538%0.382SS..BIsolated β-bridgetrans-140.5165.5175.3-670000108.5R45 A46 R62V43-R45 PolarHBondContact O-N 2.84Å; V43-A46 HydrophobicContact CG2-CB 3.93Å; V43-A46 PolarHBondContact N-O 2.79Å; V43-A46 CarbonylContact O-C 3.52Å; V43-A46 VanDerWaalsContact O-C 3.28Å; V43-A46 PolarHBondContact O-N 3.24Å; V43-R62 HydrophobicContact CG1-CB 4.28Å; V43-R62 HydrophobicContact CG1-CG 3.82Å
44A85.7Confident91.8Very high108 Ų10875.3 Ų75.389%0.89338%0.384SS*.THydrogen-bonded Turntrans-50.8-34-178.300000114.1
45R88.1Confident92.3Very high242 Ų24270.3 Ų70.391%0.91336%0.357SS*.THydrogen-bonded Turntrans-83.1-21.7179.1-167.7174.7179.3177.2-0.4114.3V43V43-R45 PolarHBondContact O-N 2.84Å
46A88.2Confident92.6Very high31 Ų3169 Ų6926%0.25635%0.354SS..BIsolated β-bridgetrans-136.5105.4-174.100000110.2S42 V43 I54S42-A46 WeakPolarHBondContact CA-O 3.28Å; S42-A46 PolarHBondContact OG-O 3.19Å; S42-A46 VanDerWaalsContact OG-O 3.07Å; V43-A46 HydrophobicContact CG2-CB 3.93Å; V43-A46 PolarHBondContact N-O 2.79Å; V43-A46 CarbonylContact O-C 3.52Å; V43-A46 VanDerWaalsContact O-C 3.28Å; V43-A46 PolarHBondContact O-N 3.24Å; A46-I54 HydrophobicContact CB-CD1 4.43Å; A46-I54 HydrophobicContact CB-CG1 4.24Å; A46-I54 HydrophobicContact CB-CG2 4.39Å; A46-I54 WeakPolarHBondContact O-CG2 3.45Å
47K91.9Very high92.7Very high149 Ų14964 Ų6465%0.64833%0.329SS*.  trans-95.3149.7179.5-70-174.3178.9-177.50111T49 N52K47-T49 PolarHBondContact O-N 2.89Å; K47-N52 PolarHBondContact O-ND2 3.48Å
48P92.1Very high92.6Very high58 Ų5868.2 Ų68.238%0.37735%0.346SS..  trans-64127.8175.428.1-35.6000110.5S42 I54 D56S42-P48 WeakPolarHBondContact OG-CD 3.21Å; P48-I54 WeakPolarHBondContact CA-O 3.49Å; P48-I54 WeakPolarHBondContact CB-O 3.5Å; P48-D56 HydrophobicContact CG-CB 4.46Å
49T92.3Very high92.5Very high61 Ų6164.1 Ų64.137%0.37433%0.329SS..  trans-138.2161.4173.958.80000110.1R29 K47 N51 N52R29-T49 PolarHBondContact NH1-O 3.27Å; K47-T49 PolarHBondContact O-N 2.89Å; T49-N51 VanDerWaalsContact CB-OD1 3.28Å; T49-N51 WeakPolarHBondContact CB-OD1 3.26Å; T49-N51 PolarHBondContact O-N 2.9Å; T49-N51 VanDerWaalsContact O-N 3.08Å; T49-N51 PolarHBondContact OG1-OD1 3.37Å; T49-N52 PolarHBondContact N-OD1 2.93Å; T49-N52 PolarHBondContact O-N 3.14Å; T49-N52 PolarHBondContact O-OD1 3.26Å; T49-N52 PolarHBondContact OG1-ND2 3.42Å; T49-N52 PolarHBondContact OG1-OD1 3.26Å
50K91.4Very high92.4Very high140 Ų14064.2 Ų64.261%0.60933%0.33SS*.THydrogen-bonded Turntrans-62.3-15.7179.7-64.5-177.5175.7-176.60114.1R29 I30R29-K50 CarbonylContact C-O 3.28Å; R29-K50 VanDerWaalsContact CA-O 3.28Å; R29-K50 WeakPolarHBondContact CA-O 3.22Å; I30-K50 PolarHBondContact N-O 2.93Å
51N91.8Very high92.4Very high112 Ų11265.2 Ų65.260%0.59934%0.337SS*.THydrogen-bonded Turntrans-113.610.2-174.767.1-20.3000114.3I30 T49I30-N51 WeakPolarHBondContact O-CA 3.4Å; T49-N51 VanDerWaalsContact CB-OD1 3.28Å; T49-N51 WeakPolarHBondContact CB-OD1 3.26Å; T49-N51 PolarHBondContact O-N 2.9Å; T49-N51 VanDerWaalsContact O-N 3.08Å; T49-N51 PolarHBondContact OG1-OD1 3.37Å
52N93.2Very high92.3Very high35 Ų3569.6 Ų69.619%0.18735%0.353CS..SBendtrans-132.1165.9175.973.216.5000111.5R29 I31 K47 T49 I54R29-N52 WeakPolarHBondContact CD-O 3.35Å; R29-N52 PolarHBondContact NH1-O 3.02Å; R29-N52 PolarHBondContact NH1-OD1 3.48Å; I31-N52 VanDerWaalsContact CD1-C 3.42Å; K47-N52 PolarHBondContact O-ND2 3.48Å; T49-N52 PolarHBondContact N-OD1 2.93Å; T49-N52 PolarHBondContact O-N 3.14Å; T49-N52 PolarHBondContact O-OD1 3.26Å; T49-N52 PolarHBondContact OG1-ND2 3.42Å; T49-N52 PolarHBondContact OG1-OD1 3.26Å; N52-I54 VanDerWaalsContact C-N 3.33Å; N52-I54 HydrophobicContact CB-CG1 4.46Å; N52-I54 PolarHBondContact O-N 3.18Å; N52-I54 PolarHBondContact OD1-N 3.31Å
53A94.1Very high92.2Very high1 Ų170.4 Ų70.41%0.00836%0.359CS..  trans-96.834.8177.600000113I31 I37 V39 G40 F55I31-A53 HydrophobicContact CD1-CB 3.75Å; I37-A53 HydrophobicContact CG2-CB 3.78Å; V39-A53 WeakPolarHBondContact CA-O 3.38Å; V39-A53 HydrophobicContact CB-CB 4.26Å; V39-A53 HydrophobicContact CG1-CB 4.44Å; V39-A53 HydrophobicContact CG2-CB 3.78Å; G40-A53 PolarHBondContact N-O 3.04Å; A53-F55 HydrophobicContact CB-CE2 4.32Å; A53-F55 VanDerWaalsContact O-CD2 3.29Å; A53-F55 WeakPolarHBondContact O-CD2 3.47Å; A53-F55 VanDerWaalsContact O-CE2 3.25Å; A53-F55 WeakPolarHBondContact O-CE2 3.48Å
54I95.7Very high92.3Very high12 Ų1268 Ų686%0.06234%0.344CS..EExtended strand (participates in β ladder)trans-100.9118-178.8-57.2-61000110.3R29 G40 A46 P48 N52R29-I54 PolarHBondContact NH1-O 3.35Å; R29-I54 PolarHBondContact NH2-O 3.04Å; G40-I54 CarbonylContact O-C 3.43Å; G40-I54 WeakPolarHBondContact O-CA 3.36Å; A46-I54 HydrophobicContact CB-CD1 4.43Å; A46-I54 HydrophobicContact CB-CG1 4.24Å; A46-I54 HydrophobicContact CB-CG2 4.39Å; A46-I54 WeakPolarHBondContact O-CG2 3.45Å; P48-I54 WeakPolarHBondContact CA-O 3.49Å; P48-I54 WeakPolarHBondContact CB-O 3.5Å; N52-I54 VanDerWaalsContact C-N 3.33Å; N52-I54 HydrophobicContact CB-CG1 4.46Å; N52-I54 PolarHBondContact O-N 3.18Å; N52-I54 PolarHBondContact OD1-N 3.31Å
55F95.6Very high92.8Very high1 Ų162.8 Ų62.80%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-110.4145.5-174.9-56.8-95.1000111.7L17 F26 V39 G40 R41 S42 A53 C57 L60 I127L17-F55 HydrophobicContact CD1-CZ 4.05Å; F26-F55 HydrophobicContact CB-CD1 3.98Å; F26-F55 HydrophobicContact CB-CE1 4.2Å; F26-F55 HydrophobicContact CD1-CD1 4.26Å; F26-F55 HydrophobicContact CD1-CE1 4.03Å; F26-F55 HydrophobicContact CD2-CD1 4.22Å; F26-F55 AromaticContact CD2-CE1 3.56Å; F26-F55 HydrophobicContact CD2-CE1 3.56Å; F26-F55 HydrophobicContact CE1-CE1 4.28Å; F26-F55 AromaticContact CE2-CE1 3.87Å; F26-F55 HydrophobicContact CE2-CE1 3.87Å; F26-F55 AromaticContact CG-CD1 3.91Å; F26-F55 HydrophobicContact CG-CD1 3.91Å; F26-F55 AromaticContact CG-CE1 3.67Å; F26-F55 HydrophobicContact CG-CE1 3.67Å; F26-F55 HydrophobicContact CZ-CE1 4.21Å; V39-F55 HydrophobicContact CG1-CD2 4.42Å; V39-F55 HydrophobicContact CG1-CE2 4.08Å; G40-F55 PolarHBondContact O-N 3.49Å; R41-F55 CarbonylContact C-O 3.46Å; R41-F55 VanDerWaalsContact CA-O 3.27Å; R41-F55 WeakPolarHBondContact CA-O 3.44Å; S42-F55 PolarHBondContact N-O 3.17Å; A53-F55 HydrophobicContact CB-CE2 4.32Å; A53-F55 VanDerWaalsContact O-CD2 3.29Å; A53-F55 WeakPolarHBondContact O-CD2 3.47Å; A53-F55 VanDerWaalsContact O-CE2 3.25Å; A53-F55 WeakPolarHBondContact O-CE2 3.48Å; F55-C57 VanDerWaalsContact C-N 3.3Å; F55-C57 HydrophobicContact CB-CB 4.47Å; F55-C57 PolarHBondContact O-N 3.33Å; F55-L60 HydrophobicContact CB-CD1 3.58Å; F55-L60 HydrophobicContact CD2-CD1 3.95Å; F55-L60 HydrophobicContact CG-CD1 4.05Å; F55-I127 HydrophobicContact CB-CD1 4.2Å; F55-I127 HydrophobicContact CB-CG1 4.18Å; F55-I127 HydrophobicContact CD1-CD1 3.87Å; F55-I127 HydrophobicContact CD1-CG1 4.18Å; F55-I127 HydrophobicContact CD1-CG2 4.18Å; F55-I127 HydrophobicContact CE1-CG2 3.99Å; F55-I127 HydrophobicContact CE2-CG2 4.5Å; F55-I127 HydrophobicContact CG-CD1 4.18Å; F55-I127 HydrophobicContact CG-CG1 4.09Å; F55-I127 HydrophobicContact CZ-CG2 4.18Å
56D93.6Very high93.1Very high117 Ų11753.2 Ų53.263%0.62627%0.268SS*.  trans-87.774.7168-167.919.9000109.3H24 P48H24-D56 PolarHBondContact CE1-O 3.06Å; P48-D56 HydrophobicContact CG-CB 4.46Å
57C93.1Very high93.5Very high1 Ų151.7 Ų51.71%0.00726%0.256CS..  trans-137.7127.6179.4155.10000109.6R41 F55 V59 L60 G125 I127R41-C57 WeakPolarHBondContact CD-O 3.49Å; R41-C57 VanDerWaalsContact CG-O 3.23Å; R41-C57 WeakPolarHBondContact CG-O 3.43Å; F55-C57 VanDerWaalsContact C-N 3.3Å; F55-C57 HydrophobicContact CB-CB 4.47Å; F55-C57 PolarHBondContact O-N 3.33Å; C57-V59 VanDerWaalsContact C-N 3.34Å; C57-V59 PolarHBondContact O-N 3.42Å; C57-L60 HydrophobicContact CB-CD1 4.02Å; C57-L60 PolarHBondContact O-N 3.13Å; C57-G125 PolarHBondContact SG-O 2.92Å; C57-I127 HydrophobicContact CB-CD1 3.96Å; C57-I127 HydrophobicContact CB-CG1 3.97Å
58K91.5Very high93.6Very high111 Ų11146.3 Ų46.348%0.48323%0.231SC..THydrogen-bonded Turntrans-67.4-32.6-171.9-177.4164.4160.1-164.90113.3R41 L60 E119 H124R41-K58 PolarHBondContact NH1-O 3.38Å; K58-L60 PolarHBondContact O-N 3.39Å; K58-E119 VanDerWaalsContact CE-OE2 3.27Å; K58-E119 WeakPolarHBondContact CE-OE2 3.4Å; K58-E119 IonicContact NZ-OE1 3.98Å; K58-E119 IonicContact NZ-OE2 3.8Å; K58-E119 PolarHBondContact NZ-OE2 2.97Å; K58-H124 VanDerWaalsContact CD-CD2 3.45Å; K58-H124 WeakPolarHBondContact CD-CD2 3.48Å; K58-H124 WeakPolarHBondContact CD-NE2 3.39Å; K58-H124 PolarHBondContact NZ-NE2 2.89Å
59V91.9Very high93.6Very high7 Ų745.4 Ų45.44%0.04222%0.222CC..THydrogen-bonded Turntrans-65-26.7178.6178.60000112.1C57 N83 V115 V117 H124 C126C57-V59 VanDerWaalsContact C-N 3.34Å; C57-V59 PolarHBondContact O-N 3.42Å; V59-N83 HydrophobicContact CG1-CB 4.23Å; V59-N83 VanDerWaalsContact CG1-ND2 3.32Å; V59-N83 WeakPolarHBondContact CG1-ND2 3.48Å; V59-N83 PolarHBondContact O-ND2 3.41Å; V59-V115 WeakPolarHBondContact CG1-O 3.36Å; V59-V117 HydrophobicContact CG1-CG2 4.43Å; V59-V117 HydrophobicContact CG2-CB 4.44Å; V59-V117 HydrophobicContact CG2-CG2 4.23Å; V59-H124 HydrophobicContact CG2-CB 3.81Å; V59-H124 WeakPolarHBondContact CG2-O 3.26Å; V59-C126 HydrophobicContact CG1-CB 4.21Å
60L94.6Very high93.4Very high2 Ų249.6 Ų49.61%0.0124%0.235CC..SBendtrans-74.3144.9179.1-83.6162.7000112.4R41 F55 C57 K58 H64 F113 I127R41-L60 HydrophobicContact CB-CB 3.94Å; R41-L60 WeakPolarHBondContact CB-O 3.42Å; R41-L60 WeakPolarHBondContact CD-O 3.46Å; R41-L60 PolarHBondContact NH1-O 2.98Å; F55-L60 HydrophobicContact CB-CD1 3.58Å; F55-L60 HydrophobicContact CD2-CD1 3.95Å; F55-L60 HydrophobicContact CG-CD1 4.05Å; C57-L60 HydrophobicContact CB-CD1 4.02Å; C57-L60 PolarHBondContact O-N 3.13Å; K58-L60 PolarHBondContact O-N 3.39Å; L60-H64 HydrophobicContact CD2-CB 3.75Å; L60-H64 VanDerWaalsContact CD2-CG 3.41Å; L60-F113 HydrophobicContact CD2-CB 3.56Å; L60-F113 HydrophobicContact CD2-CG 4.32Å; L60-F113 HydrophobicContact CG-CB 4.5Å; L60-I127 HydrophobicContact CD1-CB 4.38Å; L60-I127 HydrophobicContact CD1-CG1 3.57Å; L60-I127 HydrophobicContact CG-CG1 4.39Å
61S94.8Very high93.2Very high21 Ų2146.1 Ų46.115%0.14724%0.239CC..  trans-78.1154169.1-53.30000109.9G40 R41 S63 H64 S82G40-S61 CarbonylContact C-O 3.56Å; G40-S61 VanDerWaalsContact CA-O 3.3Å; G40-S61 WeakPolarHBondContact CA-O 3.4Å; R41-S61 PolarHBondContact N-O 3.5Å; S61-S63 PolarHBondContact O-N 2.98Å; S61-H64 PolarHBondContact N-ND1 3.11Å; S61-S82 PolarHBondContact OG-N 2.99Å
62R92.2Very high92.8Very high168 Ų16846 Ų4663%0.63424%0.239SC*.SBendtrans-61.4-28176.7-62.8178.8-172.4153.91.9112.8K38 V43K38-R62 WeakPolarHBondContact CE-O 3.32Å; K38-R62 PolarHBondContact NZ-O 2.94Å; V43-R62 HydrophobicContact CG1-CB 4.28Å; V43-R62 HydrophobicContact CG1-CG 3.82Å
63S92.6Very high92.7Very high50 Ų5050.7 Ų50.735%0.3525%0.254SS..SBendtrans-131.4101.9166.2-164.30000105.5K38 S61 T79K38-S63 VanDerWaalsContact CE-CA 3.48Å; K38-S63 WeakPolarHBondContact CE-OG 3.44Å; S61-S63 PolarHBondContact O-N 2.98Å; S63-T79 PolarHBondContact O-OG1 2.98Å
64H94.7Very high92.6Very high0 Ų050.7 Ų50.70%025%0.254CS..  trans-104.5-50.6-171.1-169.896.7000111V39 L60 S61 T79 S81 G84 T85 F113V39-H64 PolarHBondContact O-N 2.72Å; L60-H64 HydrophobicContact CD2-CB 3.75Å; L60-H64 VanDerWaalsContact CD2-CG 3.41Å; S61-H64 PolarHBondContact N-ND1 3.11Å; H64-T79 PolarHBondContact N-OG1 2.74Å; H64-T79 PolarHBondContact O-N 3.39Å; H64-T79 PolarHBondContact O-OG1 3.16Å; H64-S81 WeakPolarHBondContact CE1-CB 3.42Å; H64-S81 PolarHBondContact CE1-OG 3.03Å; H64-S81 VanDerWaalsContact CE1-OG 3.29Å; H64-S81 WeakPolarHBondContact ND1-CB 3.32Å; H64-S81 PolarHBondContact NE2-OG 3.46Å; H64-G84 PolarHBondContact NE2-O 2.85Å; H64-T85 PolarHBondContact CD2-OG1 3.43Å; H64-T85 PolarHBondContact NE2-OG1 2.97Å; H64-F113 AromaticContact CD2-CD1 3.65Å; H64-F113 AromaticContact NE2-CD1 3.95Å
65A95.6Very high92.5Very high0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans-146.7166.717800000111.3V39 L76 R77 F113V39-A65 WeakPolarHBondContact CA-O 3.41Å; V39-A65 HydrophobicContact CB-CB 4.04Å; V39-A65 WeakPolarHBondContact CB-O 3.19Å; V39-A65 HydrophobicContact CG2-CB 4.28Å; V39-A65 PolarHBondContact N-O 3.46Å; V39-A65 PolarHBondContact O-N 3.02Å; A65-L76 HydrophobicContact CB-CD1 3.99Å; A65-R77 CarbonylContact C-O 3.59Å; A65-R77 WeakPolarHBondContact CA-O 3.48Å; A65-R77 VanDerWaalsContact CB-O 3.23Å; A65-R77 WeakPolarHBondContact CB-O 3.39Å; A65-F113 HydrophobicContact CB-CD1 4.27Å; A65-F113 HydrophobicContact CB-CE1 3.86Å
66L95Very high92.5Very high40 Ų4053 Ų5321%0.20926%0.262CS..EExtended strand (participates in β ladder)trans-123.6139172-60.8174.2000109.1I36 I37 K38 W68 L76 R77 T79I36-L66 HydrophobicContact CG2-CB 3.96Å; I36-L66 HydrophobicContact CG2-CD1 4.22Å; I36-L66 HydrophobicContact CG2-CD2 4.07Å; I36-L66 HydrophobicContact CG2-CG 4.29Å; I37-L66 WeakPolarHBondContact O-CA 3.4Å; K38-L66 HydrophobicContact CB-CD2 4.09Å; K38-L66 HydrophobicContact CG-CD2 4.22Å; L66-W68 HydrophobicContact CB-CE3 4.2Å; L66-W68 HydrophobicContact CB-CZ3 4.15Å; L66-L76 WeakPolarHBondContact O-CA 3.33Å; L66-R77 HydrophobicContact CB-CB 4.47Å; L66-R77 PolarHBondContact N-O 2.75Å; L66-R77 PolarHBondContact O-N 2.67Å; L66-T79 HydrophobicContact CD1-CG2 3.93Å; L66-T79 HydrophobicContact CD2-CG2 4.48Å; L66-T79 HydrophobicContact CG-CG2 3.66Å
67I95.8Very high92.4Very high0 Ų049.9 Ų49.90%024%0.241CC..EExtended strand (participates in β ladder)trans-125.5131.9174.2-56.9172.4000108.2L15 L33 I37 V39 W75 L76 I105 F113L15-I67 HydrophobicContact CD2-CD1 3.9Å; L15-I67 HydrophobicContact CD2-CG2 4.05Å; L33-I67 HydrophobicContact CD1-CG2 4.26Å; L33-I67 HydrophobicContact CD2-CG2 4.09Å; I37-I67 PolarHBondContact N-O 3.47Å; I37-I67 PolarHBondContact O-N 2.91Å; V39-I67 HydrophobicContact CG2-CD1 3.69Å; V39-I67 HydrophobicContact CG2-CG1 3.92Å; I67-W75 WeakPolarHBondContact CA-O 3.46Å; I67-L76 HydrophobicContact CD1-CD1 4.13Å; I67-L76 HydrophobicContact CG1-CD1 3.56Å; I67-I105 HydrophobicContact CG2-CD1 4.34Å; I67-F113 HydrophobicContact CD1-CZ 4.38Å
68W94.4Very high92.5Very high35 Ų3550.4 Ų50.413%0.13324%0.244CC..EExtended strand (participates in β ladder)trans-148.4159.2175.869.394.9000111.3I36 L66 W75 R77I36-W68 HydrophobicContact CB-CB 4.32Å; I36-W68 HydrophobicContact CG1-CB 3.92Å; I36-W68 HydrophobicContact CG1-CG 4.33Å; I36-W68 HydrophobicContact CG2-CB 4.38Å; I36-W68 HydrophobicContact CG2-CE3 4.47Å; L66-W68 HydrophobicContact CB-CE3 4.2Å; L66-W68 HydrophobicContact CB-CZ3 4.15Å; W68-W75 HydrophobicContact CD2-CB 3.82Å; W68-W75 AromaticContact CE2-CG 3.91Å; W68-W75 HydrophobicContact CE3-CB 4.19Å; W68-W75 HydrophobicContact CG-CB 4.45Å; W68-W75 HydrophobicContact CH2-CB 3.75Å; W68-W75 HydrophobicContact CZ2-CB 3.35Å; W68-W75 AromaticContact CZ2-CG 3.89Å; W68-W75 HydrophobicContact CZ2-CG 3.89Å; W68-W75 HydrophobicContact CZ3-CB 4.15Å; W68-W75 PolarHBondContact N-O 3.28Å; W68-W75 VanDerWaalsContact N-O 3.11Å; W68-W75 AromaticContact NE1-CD1 3.68Å; W68-W75 AromaticContact NE1-CG 3.85Å; W68-W75 PolarHBondContact O-N 3.33Å; W68-R77 HydrophobicContact CH2-CB 3.79Å; W68-R77 HydrophobicContact CZ3-CB 3.56Å
69H92Very high92.5Very high39 Ų3947.1 Ų47.118%0.18123%0.233CC..EExtended strand (participates in β ladder)trans-103.4131172.2179.8-111.4000109.1P13 L33 G71 R73 F74 H135P13-H69 HydrophobicContact CB-CB 4.08Å; P13-H69 HydrophobicContact CG-CB 4.08Å; L33-H69 HydrophobicContact CB-CB 4.03Å; L33-H69 HydrophobicContact CD1-CB 4.48Å; H69-G71 PolarHBondContact CE1-O 2.99Å; H69-G71 PolarHBondContact NE2-O 3.47Å; H69-R73 PolarHBondContact CD2-O 3.15Å; H69-F74 HydrophobicContact CB-CD1 4Å; H69-F74 HydrophobicContact CB-CE1 3.85Å; H69-F74 AromaticContact CD2-CD1 3.74Å; H69-F74 AromaticContact CD2-CE1 3.4Å; H69-F74 WeakPolarHBondContact CD2-CE1 3.42Å; H69-F74 AromaticContact CD2-CE2 3.72Å; H69-F74 AromaticContact CD2-CZ 3.39Å; H69-F74 WeakPolarHBondContact CD2-CZ 3.48Å; H69-F74 AromaticContact CG-CE1 3.85Å; H69-F74 AromaticContact NE2-CZ 3.96Å; H69-H135 AromaticContact NE2-ND1 3.46Å; H69-H135 PolarHBondContact NE2-ND1 3.27Å
70K88.9Confident92.3Very high149 Ų14953 Ų5365%0.64826%0.264SS*.EExtended strand (participates in β ladder)trans-141.1118.7176.2-176.3-177.3178.6-175.40110.2D72 R73K70-D72 PolarHBondContact O-N 2.64Å; K70-R73 PolarHBondContact N-O 3.09Å; K70-R73 PolarHBondContact O-N 2.98Å
71G85.4Confident92.2Very high67 Ų6753.1 Ų53.169%0.69127%0.265SS*.THydrogen-bonded Turntrans69.1-121.4-174.500000109.6H69H69-G71 PolarHBondContact CE1-O 2.99Å; H69-G71 PolarHBondContact NE2-O 3.47Å
72D84.5Confident92Very high111 Ų11157.1 Ų57.159%0.59429%0.293SS*.THydrogen-bonded Turntrans-112.431.9177.7-161.540.2000111.3K70 H135K70-D72 PolarHBondContact O-N 2.64Å; D72-H135 PolarHBondContact O-CE1 3.01Å; D72-H135 VanDerWaalsContact O-CE1 3.25Å; D72-H135 IonicContact OD1-CD2 2.68Å; D72-H135 IonicContact OD1-CE1 2.67Å; D72-H135 PolarHBondContact OD1-CE1 3.41Å; D72-H135 VanDerWaalsContact OD1-CE1 3.23Å; D72-H135 IonicContact OD1-CG 2.82Å; D72-H135 IonicContact OD1-ND1 3.57Å; D72-H135 PolarHBondContact OD1-ND1 3.44Å; D72-H135 VanDerWaalsContact OD1-ND1 3.14Å; D72-H135 IonicContact OD1-NE2 3.5Å
73R90.3Very high92Very high132 Ų13251.3 Ų51.350%0.49828%0.275SS..EExtended strand (participates in β ladder)trans-141.6146-172.5-58.2-175.6-171-159.56.7112H69 K70 E104H69-R73 PolarHBondContact CD2-O 3.15Å; K70-R73 PolarHBondContact N-O 3.09Å; K70-R73 PolarHBondContact O-N 2.98Å; R73-E104 WeakPolarHBondContact CB-OE1 3.39Å; R73-E104 WeakPolarHBondContact CD-OE1 3.47Å; R73-E104 WeakPolarHBondContact CG-OE1 3.43Å; R73-E104 IonicContact NE-OE1 3.67Å; R73-E104 IonicContact NH1-OE2 3.26Å; R73-E104 PolarHBondContact NH1-OE2 3.32Å
74F93.1Very high92Very high2 Ų249 Ų491%0.00926%0.258CS..EExtended strand (participates in β ladder)trans-107.6130.6177.1-66.7-87.1000110.3P13 L33 H69 E104 I105 L133 H135 A141P13-F74 HydrophobicContact CB-CE1 4.14Å; P13-F74 HydrophobicContact CB-CZ 4.22Å; L33-F74 HydrophobicContact CD1-CD1 3.52Å; L33-F74 HydrophobicContact CD1-CE1 3.5Å; L33-F74 VanDerWaalsContact CD1-CE1 3.5Å; H69-F74 HydrophobicContact CB-CD1 4Å; H69-F74 HydrophobicContact CB-CE1 3.85Å; H69-F74 AromaticContact CD2-CD1 3.74Å; H69-F74 AromaticContact CD2-CE1 3.4Å; H69-F74 WeakPolarHBondContact CD2-CE1 3.42Å; H69-F74 AromaticContact CD2-CE2 3.72Å; H69-F74 AromaticContact CD2-CZ 3.39Å; H69-F74 WeakPolarHBondContact CD2-CZ 3.48Å; H69-F74 AromaticContact CG-CE1 3.85Å; H69-F74 AromaticContact NE2-CZ 3.96Å; F74-E104 WeakPolarHBondContact O-CA 3.45Å; F74-I105 HydrophobicContact CB-CD1 4.42Å; F74-I105 HydrophobicContact CB-CG1 3.83Å; F74-I105 PolarHBondContact O-N 3.33Å; F74-L133 HydrophobicContact CB-CD1 3.77Å; F74-L133 HydrophobicContact CB-CD2 4.39Å; F74-L133 HydrophobicContact CD1-CD2 3.87Å; F74-L133 HydrophobicContact CD2-CB 3.91Å; F74-L133 HydrophobicContact CD2-CD1 3.87Å; F74-L133 HydrophobicContact CD2-CD2 4.5Å; F74-L133 HydrophobicContact CD2-CG 4.31Å; F74-L133 HydrophobicContact CE1-CB 4.46Å; F74-L133 HydrophobicContact CE1-CD2 4.26Å; F74-L133 HydrophobicContact CE2-CB 3.84Å; F74-L133 HydrophobicContact CG-CB 4.27Å; F74-L133 HydrophobicContact CG-CD1 3.8Å; F74-L133 HydrophobicContact CG-CD2 4Å; F74-L133 HydrophobicContact CG-CG 4.24Å; F74-L133 HydrophobicContact CZ-CB 4.13Å; F74-H135 AromaticContact CE2-CE1 3.44Å; F74-H135 VanDerWaalsContact CE2-CE1 3.44Å; F74-H135 WeakPolarHBondContact CE2-CE1 3.47Å; F74-H135 AromaticContact CE2-ND1 3.53Å; F74-H135 AromaticContact CE2-NE2 3.95Å; F74-A141 HydrophobicContact CD2-CB 3.76Å; F74-A141 HydrophobicContact CE2-CB 3.62Å
75W93.5Very high91.9Very high62 Ų6249 Ų4924%0.23526%0.258CS..EExtended strand (participates in β ladder)trans-119.3140.4-174.5-64.692.3000110.8I67 W68 D102 E104I67-W75 WeakPolarHBondContact CA-O 3.46Å; W68-W75 HydrophobicContact CD2-CB 3.82Å; W68-W75 AromaticContact CE2-CG 3.91Å; W68-W75 HydrophobicContact CE3-CB 4.19Å; W68-W75 HydrophobicContact CG-CB 4.45Å; W68-W75 HydrophobicContact CH2-CB 3.75Å; W68-W75 HydrophobicContact CZ2-CB 3.35Å; W68-W75 AromaticContact CZ2-CG 3.89Å; W68-W75 HydrophobicContact CZ2-CG 3.89Å; W68-W75 HydrophobicContact CZ3-CB 4.15Å; W68-W75 PolarHBondContact N-O 3.28Å; W68-W75 VanDerWaalsContact N-O 3.11Å; W68-W75 AromaticContact NE1-CD1 3.68Å; W68-W75 AromaticContact NE1-CG 3.85Å; W68-W75 PolarHBondContact O-N 3.33Å; W75-D102 HydrophobicContact CE3-CB 4.11Å; W75-D102 HydrophobicContact CZ3-CB 4.43Å; W75-E104 HydrophobicContact CE3-CB 4.32Å; W75-E104 HydrophobicContact CH2-CB 4.39Å; W75-E104 HydrophobicContact CZ3-CB 4.11Å
76L94.5Very high91.9Very high0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-123.8128.7174.1173.565.9000109.1A65 L66 I67 T85 V87 I92 R103 I105 I111 F113A65-L76 HydrophobicContact CB-CD1 3.99Å; L66-L76 WeakPolarHBondContact O-CA 3.33Å; I67-L76 HydrophobicContact CD1-CD1 4.13Å; I67-L76 HydrophobicContact CG1-CD1 3.56Å; L76-T85 HydrophobicContact CD1-CG2 4.41Å; L76-T85 HydrophobicContact CD2-CG2 3.93Å; L76-T85 HydrophobicContact CG-CG2 4.39Å; L76-V87 HydrophobicContact CD2-CG2 3.51Å; L76-I92 HydrophobicContact CD2-CD1 3.58Å; L76-I92 HydrophobicContact CG-CD1 3.75Å; L76-R103 PolarHBondContact N-O 2.98Å; L76-R103 PolarHBondContact O-N 3.29Å; L76-I105 HydrophobicContact CB-CD1 4.28Å; L76-I105 HydrophobicContact CB-CG1 4.45Å; L76-I105 HydrophobicContact CB-CG2 3.74Å; L76-I105 HydrophobicContact CD2-CG2 3.9Å; L76-I111 HydrophobicContact CD2-CD1 3.81Å; L76-I111 HydrophobicContact CD2-CG1 4.28Å; L76-I111 HydrophobicContact CD2-CG2 4.14Å; L76-F113 HydrophobicContact CD1-CE1 4.15Å
77R93.1Very high91.7Very high50 Ų5048.2 Ų48.219%0.18925%0.253CS..EExtended strand (participates in β ladder)trans-123129.7176.7178.8-176.1-68.6-163.2-11.8110.4A65 L66 W68 F100 D102A65-R77 CarbonylContact C-O 3.59Å; A65-R77 WeakPolarHBondContact CA-O 3.48Å; A65-R77 VanDerWaalsContact CB-O 3.23Å; A65-R77 WeakPolarHBondContact CB-O 3.39Å; L66-R77 HydrophobicContact CB-CB 4.47Å; L66-R77 PolarHBondContact N-O 2.75Å; L66-R77 PolarHBondContact O-N 2.67Å; W68-R77 HydrophobicContact CH2-CB 3.79Å; W68-R77 HydrophobicContact CZ3-CB 3.56Å; R77-F100 VanDerWaalsContact CZ-CB 3.46Å; R77-F100 VanDerWaalsContact NH1-CG 3.31Å; R77-D102 WeakPolarHBondContact CB-OD1 3.41Å; R77-D102 WeakPolarHBondContact CG-OD1 3.39Å; R77-D102 IonicContact CZ-OD1 3.77Å; R77-D102 VanDerWaalsContact CZ-OD1 3.26Å; R77-D102 IonicContact CZ-OD2 3.51Å; R77-D102 IonicContact NE-OD1 3Å; R77-D102 PolarHBondContact NE-OD1 3.46Å; R77-D102 IonicContact NE-OD2 3.65Å; R77-D102 VanDerWaalsContact NH2-CG 3.29Å; R77-D102 IonicContact NH2-OD1 2.62Å; R77-D102 PolarHBondContact NH2-OD1 3.04Å; R77-D102 VanDerWaalsContact NH2-OD1 3.1Å; R77-D102 IonicContact NH2-OD2 2.7Å; R77-D102 PolarHBondContact NH2-OD2 3.38Å
78D93.4Very high91.3Very high13 Ų1348.4 Ų48.47%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-77.6127165.6-174.377.1000110.3N80 S81 T85D78-N80 PolarHBondContact O-N 3.44Å; D78-N80 VanDerWaalsContact OD2-CA 3.31Å; D78-N80 WeakPolarHBondContact OD2-CA 3.49Å; D78-N80 PolarHBondContact OD2-N 3.42Å; D78-N80 VanDerWaalsContact OD2-N 3.08Å; D78-S81 WeakPolarHBondContact OD1-CB 3.47Å; D78-S81 PolarHBondContact OD1-OG 3.46Å; D78-S81 PolarHBondContact OD2-N 3.25Å; D78-T85 WeakPolarHBondContact OD1-CB 3.45Å; D78-T85 PolarHBondContact OD1-N 3.32Å; D78-T85 PolarHBondContact OD1-OG1 3.36Å
79T91.7Very high91Very high42 Ų4250.7 Ų50.726%0.25827%0.269SS..  trans-91.244.3-179.661.90000112.4S63 H64 L66S63-T79 PolarHBondContact O-OG1 2.98Å; H64-T79 PolarHBondContact N-OG1 2.74Å; H64-T79 PolarHBondContact O-N 3.39Å; H64-T79 PolarHBondContact O-OG1 3.16Å; L66-T79 HydrophobicContact CD1-CG2 3.93Å; L66-T79 HydrophobicContact CD2-CG2 4.48Å; L66-T79 HydrophobicContact CG-CG2 3.66Å
80N88.5Confident90.8Very high131 Ų13151.1 Ų51.170%0.70127%0.274SS*.SBendtrans55.650.4-172.8-165.842.3000111.6D78D78-N80 PolarHBondContact O-N 3.44Å; D78-N80 VanDerWaalsContact OD2-CA 3.31Å; D78-N80 WeakPolarHBondContact OD2-CA 3.49Å; D78-N80 PolarHBondContact OD2-N 3.42Å; D78-N80 VanDerWaalsContact OD2-N 3.08Å
81S91.8Very high90.8Very high3 Ų348.8 Ų48.82%0.02126%0.262CS..  trans-68.6144.3-179.469.30000111.1H64 D78 N83 G84H64-S81 WeakPolarHBondContact CE1-CB 3.42Å; H64-S81 PolarHBondContact CE1-OG 3.03Å; H64-S81 VanDerWaalsContact CE1-OG 3.29Å; H64-S81 WeakPolarHBondContact ND1-CB 3.32Å; H64-S81 PolarHBondContact NE2-OG 3.46Å; D78-S81 WeakPolarHBondContact OD1-CB 3.47Å; D78-S81 PolarHBondContact OD1-OG 3.46Å; D78-S81 PolarHBondContact OD2-N 3.25Å; S81-N83 PolarHBondContact O-N 3.29Å; S81-G84 PolarHBondContact O-N 3.1Å; S81-G84 VanDerWaalsContact OG-C 3.27Å; S81-G84 WeakPolarHBondContact OG-CA 3.39Å; S81-G84 PolarHBondContact OG-N 2.98Å
82S91Very high91Very high106 Ų10646 Ų4674%0.74123%0.231SC*.THydrogen-bonded Turntrans-60.1-34.7-176.4-51.80000112.7S61S61-S82 PolarHBondContact OG-N 2.99Å
83N92.1Very high90.9Very high46 Ų4645.4 Ų45.425%0.24623%0.231CC..THydrogen-bonded Turntrans-105.5-1.8-176-65.4-32.8000113.4V59 S81 G114 V115V59-N83 HydrophobicContact CG1-CB 4.23Å; V59-N83 VanDerWaalsContact CG1-ND2 3.32Å; V59-N83 WeakPolarHBondContact CG1-ND2 3.48Å; V59-N83 PolarHBondContact O-ND2 3.41Å; S81-N83 PolarHBondContact O-N 3.29Å; N83-G114 VanDerWaalsContact CB-CA 3.49Å; N83-V115 HydrophobicContact CB-CG2 4.25Å
84G91.9Very high90.3Very high0 Ų044.4 Ų44.40%023%0.23CC..  trans76.1161.2179.900000115.3H64 S81 R91 G114H64-G84 PolarHBondContact NE2-O 2.85Å; S81-G84 PolarHBondContact O-N 3.1Å; S81-G84 VanDerWaalsContact OG-C 3.27Å; S81-G84 WeakPolarHBondContact OG-CA 3.39Å; S81-G84 PolarHBondContact OG-N 2.98Å; G84-R91 VanDerWaalsContact CA-NH2 3.28Å; G84-G114 WeakPolarHBondContact O-CA 3.32Å; G84-G114 PolarHBondContact O-N 2.92Å
85T94.3Very high89.2Confident0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-112.5139.7169.7-57.20000109.3H64 L76 D78 I92 I111 F113H64-T85 PolarHBondContact CD2-OG1 3.43Å; H64-T85 PolarHBondContact NE2-OG1 2.97Å; L76-T85 HydrophobicContact CD1-CG2 4.41Å; L76-T85 HydrophobicContact CD2-CG2 3.93Å; L76-T85 HydrophobicContact CG-CG2 4.39Å; D78-T85 WeakPolarHBondContact OD1-CB 3.45Å; D78-T85 PolarHBondContact OD1-N 3.32Å; D78-T85 PolarHBondContact OD1-OG1 3.36Å; T85-I92 HydrophobicContact CG2-CD1 3.76Å; T85-I92 HydrophobicContact CG2-CG1 4.47Å; T85-I92 PolarHBondContact O-N 3.03Å; T85-I111 HydrophobicContact CG2-CG2 4.2Å; T85-F113 HydrophobicContact CG2-CD1 3.68Å; T85-F113 HydrophobicContact CG2-CE1 3.72Å
86F94.1Very high87.9Confident24 Ų2456.3 Ų56.311%0.10529%0.291CS..EExtended strand (participates in β ladder)trans-128.2142.6-177.9-52.8-105.9000109.9T90 R91 I111 R112 V115F86-T90 CarbonylContact C-O 3.53Å; F86-T90 VanDerWaalsContact CA-O 3.28Å; F86-T90 WeakPolarHBondContact CA-O 3.47Å; F86-R91 HydrophobicContact CD1-CB 3.62Å; F86-R91 HydrophobicContact CD1-CG 4.04Å; F86-R91 HydrophobicContact CE1-CB 3.58Å; F86-R91 HydrophobicContact CE1-CG 3.77Å; F86-R91 HydrophobicContact CG-CB 4.46Å; F86-R91 HydrophobicContact CZ-CB 4.39Å; F86-R91 HydrophobicContact CZ-CG 4.08Å; F86-I111 CarbonylContact O-C 3.45Å; F86-I111 WeakPolarHBondContact O-CA 3.47Å; F86-R112 HydrophobicContact CB-CB 4.21Å; F86-R112 HydrophobicContact CD2-CG 4.37Å; F86-R112 PolarHBondContact N-O 3.48Å; F86-R112 PolarHBondContact O-N 3.4Å; F86-V115 HydrophobicContact CE2-CG1 3.78Å; F86-V115 HydrophobicContact CZ-CG1 3.77Å
87V91.8Very high86.5Confident0 Ų064 Ų640%033%0.332CS..EExtended strand (participates in β ladder)trans-126.2126.1173.1-178.80000106.9L76 N89 T90 I92 R103 I105 D109 I111L76-V87 HydrophobicContact CD2-CG2 3.51Å; V87-N89 PolarHBondContact O-N 3.39Å; V87-T90 PolarHBondContact N-O 2.98Å; V87-T90 PolarHBondContact O-N 3.46Å; V87-I92 HydrophobicContact CG2-CD1 3.95Å; V87-I92 HydrophobicContact CG2-CG1 4.13Å; V87-R103 PolarHBondContact O-NH1 3.26Å; V87-I105 HydrophobicContact CG1-CG2 4.33Å; V87-I105 HydrophobicContact CG2-CG2 4.17Å; V87-D109 HydrophobicContact CG1-CB 4.21Å; V87-I111 HydrophobicContact CG2-CG1 4.28Å
88N88Confident85.2Confident5 Ų566.6 Ų66.63%0.02735%0.347CS..THydrogen-bonded Turntrans50.341.8-175.8-58-31.9000112.5T90 D109 I110 E163 R167N88-T90 PolarHBondContact O-N 3.16Å; N88-D109 PolarHBondContact ND2-OD1 3.09Å; N88-I110 PolarHBondContact N-O 3.36Å; N88-I110 PolarHBondContact OD1-N 3.42Å; N88-E163 HydrophobicContact CB-CB 3.8Å; N88-E163 HydrophobicContact CB-CG 3.81Å; N88-R167 HydrophobicContact CB-CG 4.46Å
89N86.5Confident84.1Confident83 Ų8372.1 Ų72.144%0.44438%0.377SS..THydrogen-bonded Turntrans67.3-0.5-175.4-160.245.9000116.5V87 R112 F166V87-N89 PolarHBondContact O-N 3.39Å; N89-R112 PolarHBondContact OD1-NH1 3.32Å; N89-R112 PolarHBondContact OD1-NH2 2.78Å; N89-F166 HydrophobicContact CB-CD1 4.11Å; N89-F166 HydrophobicContact CB-CD2 3.86Å; N89-F166 HydrophobicContact CB-CE1 4.11Å; N89-F166 HydrophobicContact CB-CE2 3.85Å; N89-F166 HydrophobicContact CB-CG 3.99Å; N89-F166 HydrophobicContact CB-CZ 3.99Å
90T89Confident83.1Confident47 Ų4775 Ų7529%0.28839%0.386SS..EExtended strand (participates in β ladder)trans-91.6125.1173-54.70000110.7F86 V87 N88 E163F86-T90 CarbonylContact C-O 3.53Å; F86-T90 VanDerWaalsContact CA-O 3.28Å; F86-T90 WeakPolarHBondContact CA-O 3.47Å; V87-T90 PolarHBondContact N-O 2.98Å; V87-T90 PolarHBondContact O-N 3.46Å; N88-T90 PolarHBondContact O-N 3.16Å; T90-E163 WeakPolarHBondContact CB-OE1 3.48Å; T90-E163 WeakPolarHBondContact OG1-CG 3.41Å; T90-E163 PolarHBondContact OG1-OE1 3.22Å
91R89.4Confident82.6Confident101 Ų10169 Ų6938%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-68.2134.6177.5-164.4-179.7-170.5-81.44.4110.3G84 F86 V93G84-R91 VanDerWaalsContact CA-NH2 3.28Å; F86-R91 HydrophobicContact CD1-CB 3.62Å; F86-R91 HydrophobicContact CD1-CG 4.04Å; F86-R91 HydrophobicContact CE1-CB 3.58Å; F86-R91 HydrophobicContact CE1-CG 3.77Å; F86-R91 HydrophobicContact CG-CB 4.46Å; F86-R91 HydrophobicContact CZ-CB 4.39Å; F86-R91 HydrophobicContact CZ-CG 4.08Å; R91-V93 PolarHBondContact O-N 3.1Å
92I89.5Confident82.4Confident8 Ų871.4 Ų71.44%0.04137%0.367CS..PPolyproline II helixtrans-70.9121.9171.5-47.8179.2000108.1L76 T85 V87 A101 R103L76-I92 HydrophobicContact CD2-CD1 3.58Å; L76-I92 HydrophobicContact CG-CD1 3.75Å; T85-I92 HydrophobicContact CG2-CD1 3.76Å; T85-I92 HydrophobicContact CG2-CG1 4.47Å; T85-I92 PolarHBondContact O-N 3.03Å; V87-I92 HydrophobicContact CG2-CD1 3.95Å; V87-I92 HydrophobicContact CG2-CG1 4.13Å; I92-A101 HydrophobicContact CG2-CB 3.79Å; I92-A101 WeakPolarHBondContact CG2-O 3.07Å; I92-R103 HydrophobicContact CD1-CB 4.22Å; I92-R103 HydrophobicContact CG1-CB 4.44Å; I92-R103 HydrophobicContact CG2-CB 4.07Å
93V82Confident82.2Confident98 Ų9868.8 Ų68.859%0.59434%0.341SS*.  trans-117.9147-179.8-67.70000110.3R91R91-V93 PolarHBondContact O-N 3.1Å
94K76.6Confident82.2Confident111 Ų11169 Ų6948%0.48334%0.34SS..  trans-73.4129.4169.8-66.5-175.7177.7-152.30108.4D99 A101K94-D99 PolarHBondContact NZ-O 2.77Å; K94-A101 HydrophobicContact CB-CB 4.42Å; K94-A101 HydrophobicContact CG-CB 3.67Å
95K71Confident82.2Confident147 Ų14769 Ų6964%0.63934%0.34SS*.  trans-72.1145.7167-69.4179.3177.5178.80108.3D97 E98K95-D97 PolarHBondContact O-N 3.14Å; K95-E98 PolarHBondContact O-N 3.08Å
96N65Low82.1Confident167 Ų16771.2 Ų71.289%0.89335%0.35SS*.THydrogen-bonded Turntrans-55.4-22.4-170.9-69.8-21.4000114.6
97D66.3Low82Confident161 Ų16170.3 Ų70.386%0.86135%0.347SS*.THydrogen-bonded Turntrans-105.2-5.5-176.7-56-46.5000114K95K95-D97 PolarHBondContact O-N 3.14Å
98E66.1Low81.7Confident106 Ų10670.8 Ų70.850%0.49535%0.351SS..  trans-108.6131.8-178.6-68.4-173.3179.200112K95 F100K95-E98 PolarHBondContact O-N 3.08Å; E98-F100 PolarHBondContact O-N 2.87Å
99D69Low81.9Confident129 Ų12970.6 Ų70.669%0.6935%0.35SS*.SBendtrans-61.9-27.2177.9-70-38.1000112.9K94K94-D99 PolarHBondContact NZ-O 2.77Å
100F72.4Confident82.2Confident102 Ų10267 Ų6745%0.44733%0.331SS..SBendtrans-128.5145.6-170.1-54.9-71.5000112.3R77 E98 D102R77-F100 VanDerWaalsContact CZ-CB 3.46Å; R77-F100 VanDerWaalsContact NH1-CG 3.31Å; E98-F100 PolarHBondContact O-N 2.87Å; F100-D102 PolarHBondContact O-N 3.06Å
101A77.8Confident82.4Confident5 Ų564.7 Ų64.74%0.04132%0.317CS..  trans-95.474.8177.300000109.7I92 K94I92-A101 HydrophobicContact CG2-CB 3.79Å; I92-A101 WeakPolarHBondContact CG2-O 3.07Å; K94-A101 HydrophobicContact CB-CB 4.42Å; K94-A101 HydrophobicContact CG-CB 3.67Å
102D86.2Confident82.7Confident54 Ų5462.8 Ų62.829%0.28931%0.31SS..EExtended strand (participates in β ladder)trans-89.9127-179.2-70.31.3000110.2W75 R77 F100W75-D102 HydrophobicContact CE3-CB 4.11Å; W75-D102 HydrophobicContact CZ3-CB 4.43Å; R77-D102 WeakPolarHBondContact CB-OD1 3.41Å; R77-D102 WeakPolarHBondContact CG-OD1 3.39Å; R77-D102 IonicContact CZ-OD1 3.77Å; R77-D102 VanDerWaalsContact CZ-OD1 3.26Å; R77-D102 IonicContact CZ-OD2 3.51Å; R77-D102 IonicContact NE-OD1 3Å; R77-D102 PolarHBondContact NE-OD1 3.46Å; R77-D102 IonicContact NE-OD2 3.65Å; R77-D102 VanDerWaalsContact NH2-CG 3.29Å; R77-D102 IonicContact NH2-OD1 2.62Å; R77-D102 PolarHBondContact NH2-OD1 3.04Å; R77-D102 VanDerWaalsContact NH2-OD1 3.1Å; R77-D102 IonicContact NH2-OD2 2.7Å; R77-D102 PolarHBondContact NH2-OD2 3.38Å; F100-D102 PolarHBondContact O-N 3.06Å
103R88.3Confident83Confident51 Ų5162.4 Ų62.419%0.19231%0.308CS..EExtended strand (participates in β ladder)trans-125.8131.5176.4-179.9172.11751635.8109.9L76 V87 I92 E163L76-R103 PolarHBondContact N-O 2.98Å; L76-R103 PolarHBondContact O-N 3.29Å; V87-R103 PolarHBondContact O-NH1 3.26Å; I92-R103 HydrophobicContact CD1-CB 4.22Å; I92-R103 HydrophobicContact CG1-CB 4.44Å; I92-R103 HydrophobicContact CG2-CB 4.07Å; R103-E163 IonicContact CZ-OE1 3.63Å; R103-E163 VanDerWaalsContact CZ-OE1 3.27Å; R103-E163 IonicContact CZ-OE2 3.14Å; R103-E163 IonicContact NH1-OE1 3.6Å; R103-E163 PolarHBondContact NH1-OE1 3.25Å; R103-E163 IonicContact NH2-OE1 3.1Å; R103-E163 PolarHBondContact NH2-OE1 3.27Å; R103-E163 IonicContact NH2-OE2 3.99Å; R103-E163 PolarHBondContact NH2-OE2 3.32Å
104E91.1Very high83.5Confident50 Ų5057.7 Ų57.723%0.23428%0.279CS..EExtended strand (participates in β ladder)trans-72136.2170.3-171.2167.6-171.800109.6R73 F74 W75 F106R73-E104 WeakPolarHBondContact CB-OE1 3.39Å; R73-E104 WeakPolarHBondContact CD-OE1 3.47Å; R73-E104 WeakPolarHBondContact CG-OE1 3.43Å; R73-E104 IonicContact NE-OE1 3.67Å; R73-E104 IonicContact NH1-OE2 3.26Å; R73-E104 PolarHBondContact NH1-OE2 3.32Å; F74-E104 WeakPolarHBondContact O-CA 3.45Å; W75-E104 HydrophobicContact CE3-CB 4.32Å; W75-E104 HydrophobicContact CH2-CB 4.39Å; W75-E104 HydrophobicContact CZ3-CB 4.11Å; E104-F106 HydrophobicContact CG-CE1 4.27Å; E104-F106 HydrophobicContact CG-CE2 4.18Å; E104-F106 HydrophobicContact CG-CZ 3.78Å
105I92.7Very high84.2Confident1 Ų155.1 Ų55.11%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-121.5148.7-179.355.3165.8000110.6I67 F74 L76 V87 I111 L133I67-I105 HydrophobicContact CG2-CD1 4.34Å; F74-I105 HydrophobicContact CB-CD1 4.42Å; F74-I105 HydrophobicContact CB-CG1 3.83Å; F74-I105 PolarHBondContact O-N 3.33Å; L76-I105 HydrophobicContact CB-CD1 4.28Å; L76-I105 HydrophobicContact CB-CG1 4.45Å; L76-I105 HydrophobicContact CB-CG2 3.74Å; L76-I105 HydrophobicContact CD2-CG2 3.9Å; V87-I105 HydrophobicContact CG1-CG2 4.33Å; V87-I105 HydrophobicContact CG2-CG2 4.17Å; I105-I111 HydrophobicContact CD1-CD1 4.08Å; I105-I111 HydrophobicContact CG2-CD1 4.37Å; I105-L133 HydrophobicContact CB-CD1 4.47Å; I105-L133 HydrophobicContact CD1-CD1 4.13Å; I105-L133 HydrophobicContact CD1-CD2 4.34Å; I105-L133 HydrophobicContact CG1-CD1 3.93Å; I105-L133 VanDerWaalsContact O-CD1 3.3Å; I105-L133 WeakPolarHBondContact O-CD1 3.33Å
106F92.3Very high85.3Confident46 Ų4652.2 Ų52.220%0.20226%0.264CS..  trans-124.9162-177.7-59.5-79.8000111.8E104 D109 A141 Q143E104-F106 HydrophobicContact CG-CE1 4.27Å; E104-F106 HydrophobicContact CG-CE2 4.18Å; E104-F106 HydrophobicContact CG-CZ 3.78Å; F106-D109 PolarHBondContact N-OD2 3.17Å; F106-D109 VanDerWaalsContact O-CB 3.3Å; F106-D109 WeakPolarHBondContact O-CB 3.44Å; F106-D109 PolarHBondContact O-N 3.36Å; F106-A141 WeakPolarHBondContact CA-O 3.21Å; F106-Q143 HydrophobicContact CB-CB 3.96Å; F106-Q143 HydrophobicContact CD1-CB 4.04Å; F106-Q143 HydrophobicContact CD1-CG 4.47Å; F106-Q143 HydrophobicContact CD2-CB 3.96Å; F106-Q143 HydrophobicContact CD2-CG 3.93Å; F106-Q143 HydrophobicContact CE2-CB 4.5Å; F106-Q143 HydrophobicContact CE2-CG 4.05Å; F106-Q143 HydrophobicContact CG-CB 3.7Å; F106-Q143 HydrophobicContact CG-CG 4.15Å; F106-Q143 HydrophobicContact CZ-CG 4.37Å
107S90.6Very high86.4Confident5 Ų546.8 Ų46.84%0.03524%0.237CC..THydrogen-bonded Turntrans-62.2136.8173-64.60000111.5D109 L133 E140 A141S107-D109 VanDerWaalsContact C-N 3.34Å; S107-L133 WeakPolarHBondContact OG-CA 3.5Å; S107-L133 WeakPolarHBondContact OG-CB 3.47Å; S107-L133 PolarHBondContact OG-N 2.92Å; S107-L133 PolarHBondContact OG-O 3.13Å; S107-E140 VanDerWaalsContact CB-OE1 3.25Å; S107-E140 WeakPolarHBondContact CB-OE1 3.21Å; S107-E140 VanDerWaalsContact OG-CG 3.31Å; S107-E140 WeakPolarHBondContact OG-CG 3.29Å; S107-A141 PolarHBondContact N-O 2.97Å; S107-A141 PolarHBondContact OG-N 2.92Å
108G87.1Confident87.5Confident9 Ų944 Ų449%0.09323%0.225CC..THydrogen-bonded Turntrans87.9-6.4-175.100000114.5V131 R167 Y171G108-V131 PolarHBondContact N-O 2.93Å; G108-R167 PolarHBondContact O-NE 2.78Å; G108-R167 PolarHBondContact O-NH2 2.99Å; G108-Y171 PolarHBondContact O-OH 3.36Å
109D91.5Very high88.5Confident2 Ų242.5 Ų42.51%0.01122%0.218CC..  trans-65.9150.3174-75.3-19.7000111.8V87 N88 F106 S107 V131 R167V87-D109 HydrophobicContact CG1-CB 4.21Å; N88-D109 PolarHBondContact ND2-OD1 3.09Å; F106-D109 PolarHBondContact N-OD2 3.17Å; F106-D109 VanDerWaalsContact O-CB 3.3Å; F106-D109 WeakPolarHBondContact O-CB 3.44Å; F106-D109 PolarHBondContact O-N 3.36Å; S107-D109 VanDerWaalsContact C-N 3.34Å; D109-V131 WeakPolarHBondContact O-CG2 3.27Å; D109-V131 PolarHBondContact O-N 3.43Å; D109-R167 IonicContact OD1-CZ 3.68Å; D109-R167 IonicContact OD1-NH1 3.62Å; D109-R167 PolarHBondContact OD1-NH1 3.2Å
110I91.8Very high89Confident6 Ų644.1 Ų44.13%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-107.2110.9176.8-58.5169.6000107.9N88 I128 F166 H170N88-I110 PolarHBondContact N-O 3.36Å; N88-I110 PolarHBondContact OD1-N 3.42Å; I110-I128 HydrophobicContact CG2-CG2 3.71Å; I110-F166 HydrophobicContact CB-CE1 4.4Å; I110-F166 HydrophobicContact CD1-CE1 3.99Å; I110-H170 HydrophobicContact CD1-CB 3.77Å; I110-H170 WeakPolarHBondContact CD1-CD2 3.45Å
111I94.6Very high89.5Confident0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-98.7131.3177.2-59175.2000109.2L76 T85 F86 V87 I105 F113 I128 A129 V131L76-I111 HydrophobicContact CD2-CD1 3.81Å; L76-I111 HydrophobicContact CD2-CG1 4.28Å; L76-I111 HydrophobicContact CD2-CG2 4.14Å; T85-I111 HydrophobicContact CG2-CG2 4.2Å; F86-I111 CarbonylContact O-C 3.45Å; F86-I111 WeakPolarHBondContact O-CA 3.47Å; V87-I111 HydrophobicContact CG2-CG1 4.28Å; I105-I111 HydrophobicContact CD1-CD1 4.08Å; I105-I111 HydrophobicContact CG2-CD1 4.37Å; I111-F113 HydrophobicContact CB-CZ 4.48Å; I111-F113 HydrophobicContact CG2-CD1 4.13Å; I111-F113 HydrophobicContact CG2-CD2 4.29Å; I111-F113 HydrophobicContact CG2-CE1 3.63Å; I111-F113 HydrophobicContact CG2-CE2 3.81Å; I111-F113 HydrophobicContact CG2-CG 4.44Å; I111-F113 HydrophobicContact CG2-CZ 3.45Å; I111-F113 VanDerWaalsContact CG2-CZ 3.45Å; I111-I128 WeakPolarHBondContact O-CA 3.48Å; I111-A129 PolarHBondContact N-O 3Å; I111-A129 PolarHBondContact O-N 3.46Å; I111-V131 HydrophobicContact CB-CG2 4.3Å; I111-V131 HydrophobicContact CD1-CG2 3.31Å; I111-V131 HydrophobicContact CG1-CG2 3.55Å
112R94.6Very high89.8Confident60 Ų6050.5 Ų50.523%0.22626%0.263CS..EExtended strand (participates in β ladder)trans-115.4126.2169.8174.2176.369.7-151.8-6.9110.2F86 N89 G114 I127 I128F86-R112 HydrophobicContact CB-CB 4.21Å; F86-R112 HydrophobicContact CD2-CG 4.37Å; F86-R112 PolarHBondContact N-O 3.48Å; F86-R112 PolarHBondContact O-N 3.4Å; N89-R112 PolarHBondContact OD1-NH1 3.32Å; N89-R112 PolarHBondContact OD1-NH2 2.78Å; R112-G114 WeakPolarHBondContact CD-O 3.44Å; R112-G114 VanDerWaalsContact CG-O 3.29Å; R112-G114 WeakPolarHBondContact CG-O 3.35Å; R112-I127 CarbonylContact C-O 3.5Å; R112-I127 VanDerWaalsContact CA-O 3.3Å; R112-I127 WeakPolarHBondContact CA-O 3.47Å; R112-I128 HydrophobicContact CB-CG1 4.13Å; R112-I128 HydrophobicContact CG-CG1 3.87Å
113F95.2Very high89.9Confident0 Ų052.2 Ų52.20%028%0.275CS..EExtended strand (participates in β ladder)trans-103.3107.2173.2-57.4-68.6000109.8V39 L60 H64 A65 I67 L76 T85 I111 C126 I127V39-F113 HydrophobicContact CB-CE1 4.49Å; V39-F113 HydrophobicContact CG1-CD1 4.19Å; V39-F113 HydrophobicContact CG1-CD2 4.16Å; V39-F113 HydrophobicContact CG1-CE1 3.99Å; V39-F113 HydrophobicContact CG1-CE2 3.97Å; V39-F113 HydrophobicContact CG1-CG 4.26Å; V39-F113 HydrophobicContact CG1-CZ 3.87Å; V39-F113 HydrophobicContact CG2-CE1 4.39Å; V39-F113 HydrophobicContact CG2-CZ 4.12Å; L60-F113 HydrophobicContact CD2-CB 3.56Å; L60-F113 HydrophobicContact CD2-CG 4.32Å; L60-F113 HydrophobicContact CG-CB 4.5Å; H64-F113 AromaticContact CD2-CD1 3.65Å; H64-F113 AromaticContact NE2-CD1 3.95Å; A65-F113 HydrophobicContact CB-CD1 4.27Å; A65-F113 HydrophobicContact CB-CE1 3.86Å; I67-F113 HydrophobicContact CD1-CZ 4.38Å; L76-F113 HydrophobicContact CD1-CE1 4.15Å; T85-F113 HydrophobicContact CG2-CD1 3.68Å; T85-F113 HydrophobicContact CG2-CE1 3.72Å; I111-F113 HydrophobicContact CB-CZ 4.48Å; I111-F113 HydrophobicContact CG2-CD1 4.13Å; I111-F113 HydrophobicContact CG2-CD2 4.29Å; I111-F113 HydrophobicContact CG2-CE1 3.63Å; I111-F113 HydrophobicContact CG2-CE2 3.81Å; I111-F113 HydrophobicContact CG2-CG 4.44Å; I111-F113 HydrophobicContact CG2-CZ 3.45Å; I111-F113 VanDerWaalsContact CG2-CZ 3.45Å; F113-C126 WeakPolarHBondContact O-CB 3.48Å; F113-I127 HydrophobicContact CB-CB 4.32Å; F113-I127 HydrophobicContact CD2-CB 4.28Å; F113-I127 HydrophobicContact CD2-CG2 3.98Å; F113-I127 PolarHBondContact N-O 3.03Å; F113-I127 PolarHBondContact O-N 3.5Å
114G92.8Very high89.9Confident0 Ų051.7 Ų51.70%028%0.275CS..SBendtrans85.6-167.9-17700000115N83 G84 R112N83-G114 VanDerWaalsContact CB-CA 3.49Å; G84-G114 WeakPolarHBondContact O-CA 3.32Å; G84-G114 PolarHBondContact O-N 2.92Å; R112-G114 WeakPolarHBondContact CD-O 3.44Å; R112-G114 VanDerWaalsContact CG-O 3.29Å; R112-G114 WeakPolarHBondContact CG-O 3.35Å
115V92.6Very high90Very high56 Ų5650 Ų5034%0.33927%0.271SS..  trans-138.5152.4177.8-65.10000108.4V59 N83 F86 V117V59-V115 WeakPolarHBondContact CG1-O 3.36Å; N83-V115 HydrophobicContact CB-CG2 4.25Å; F86-V115 HydrophobicContact CE2-CG1 3.78Å; F86-V115 HydrophobicContact CZ-CG1 3.77Å; V115-V117 PolarHBondContact O-N 3.21Å
116D92.4Very high90Very high87 Ų8750.1 Ų50.147%0.46527%0.272SS..  trans-64.3131.7-178.9-64.4-10.8000110.8T123 H124 G125 C126D116-T123 HydrophobicContact CB-CG2 4.04Å; D116-H124 WeakPolarHBondContact CA-O 3.43Å; D116-G125 WeakPolarHBondContact OD1-CA 3.39Å; D116-C126 PolarHBondContact OD1-N 3.39Å; D116-C126 PolarHBondContact OD1-SG 3.49Å
117V89.3Confident90.1Very high52 Ų5248 Ų4832%0.31526%0.262SS..EExtended strand (participates in β ladder)trans-115.5124.5-178-179.90000109.1V59 V115 H124V59-V117 HydrophobicContact CG1-CG2 4.43Å; V59-V117 HydrophobicContact CG2-CB 4.44Å; V59-V117 HydrophobicContact CG2-CG2 4.23Å; V115-V117 PolarHBondContact O-N 3.21Å; V117-H124 PolarHBondContact N-O 3.01Å; V117-H124 WeakPolarHBondContact O-CB 3.19Å; V117-H124 PolarHBondContact O-N 3.13Å
118V88.4Confident90.3Very high103 Ų10348.8 Ų48.862%0.62427%0.266SS*.EExtended strand (participates in β ladder)trans-92.7123.2175.6-173.10000109.2T123V118-T123 HydrophobicContact CG2-CG2 4.22Å
119E86.8Confident90.7Very high74 Ų7448.4 Ų48.435%0.34626%0.262SS..EExtended strand (participates in β ladder)trans-133.4122.1177.5179.1174.8177.600109.5K58 D121 T122 H124K58-E119 VanDerWaalsContact CE-OE2 3.27Å; K58-E119 WeakPolarHBondContact CE-OE2 3.4Å; K58-E119 IonicContact NZ-OE1 3.98Å; K58-E119 IonicContact NZ-OE2 3.8Å; K58-E119 PolarHBondContact NZ-OE2 2.97Å; E119-D121 PolarHBondContact O-N 3.47Å; E119-T122 PolarHBondContact N-O 2.97Å; E119-T122 WeakPolarHBondContact O-CA 3.13Å; E119-T122 PolarHBondContact O-N 3.33Å; E119-T122 PolarHBondContact O-OG1 3.5Å; E119-H124 IonicContact OE2-NE2 3.93Å
120H80.8Confident90.8Very high164 Ų16450.4 Ų50.476%0.75927%0.271SS*.THydrogen-bonded Turntrans43.655.7177.1-54.899.6000113.2T122H120-T122 PolarHBondContact O-N 3.34Å; H120-T122 VanDerWaalsContact O-N 3.09Å
121D81.5Confident90.9Very high165 Ų16550.2 Ų50.288%0.88227%0.27SS*.THydrogen-bonded Turntrans65.51.6-176.9-53.3-34.5000116.4E119E119-D121 PolarHBondContact O-N 3.47Å
122T85.7Confident90.9Very high76 Ų7651.1 Ų51.147%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-104.3119.8174.564.40000111E119 H120 H124E119-T122 PolarHBondContact N-O 2.97Å; E119-T122 WeakPolarHBondContact O-CA 3.13Å; E119-T122 PolarHBondContact O-N 3.33Å; E119-T122 PolarHBondContact O-OG1 3.5Å; H120-T122 PolarHBondContact O-N 3.34Å; H120-T122 VanDerWaalsContact O-N 3.09Å; T122-H124 PolarHBondContact OG1-CE1 3.21Å
123T88.2Confident90.8Very high90 Ų9048.2 Ų48.255%0.55227%0.267SS*.EExtended strand (participates in β ladder)trans-84.3124.3172.5-54.30000109.7D116 V118D116-T123 HydrophobicContact CB-CG2 4.04Å; V118-T123 HydrophobicContact CG2-CG2 4.22Å
124H88.8Confident90.7Very high40 Ų4052.1 Ų52.119%0.18528%0.282CS..EExtended strand (participates in β ladder)trans-97.5111.9175-61.2-7000108.7K58 V59 D116 V117 E119 T122K58-H124 VanDerWaalsContact CD-CD2 3.45Å; K58-H124 WeakPolarHBondContact CD-CD2 3.48Å; K58-H124 WeakPolarHBondContact CD-NE2 3.39Å; K58-H124 PolarHBondContact NZ-NE2 2.89Å; V59-H124 HydrophobicContact CG2-CB 3.81Å; V59-H124 WeakPolarHBondContact CG2-O 3.26Å; D116-H124 WeakPolarHBondContact CA-O 3.43Å; V117-H124 PolarHBondContact N-O 3.01Å; V117-H124 WeakPolarHBondContact O-CB 3.19Å; V117-H124 PolarHBondContact O-N 3.13Å; E119-H124 IonicContact OE2-NE2 3.93Å; T122-H124 PolarHBondContact OG1-CE1 3.21Å
125G91.5Very high90.6Very high15 Ų1553 Ų5316%0.15529%0.286CS..PPolyproline II helixtrans-67.8142.6-179.900000113.2H24 C57 D116H24-G125 WeakPolarHBondContact CB-O 3.48Å; C57-G125 PolarHBondContact SG-O 2.92Å; D116-G125 WeakPolarHBondContact OD1-CA 3.39Å
126C93.4Very high90.2Very high3 Ų352.4 Ų52.42%0.0228%0.283CS..PPolyproline II helixtrans-76.6171.1167.965.90000111.8S23 H24 V59 F113 D116S23-C126 PolarHBondContact OG-O 2.93Å; H24-C126 WeakPolarHBondContact CB-O 3.37Å; H24-C126 PolarHBondContact N-O 2.96Å; V59-C126 HydrophobicContact CG1-CB 4.21Å; F113-C126 WeakPolarHBondContact O-CB 3.48Å; D116-C126 PolarHBondContact OD1-N 3.39Å; D116-C126 PolarHBondContact OD1-SG 3.49Å
127I95.3Very high89.8Confident1 Ų154 Ų541%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-95.4123.3175.5-64.3-67.6000109.2S23 H24 F26 F55 C57 L60 R112 F113S23-I127 WeakPolarHBondContact OG-CA 3.43Å; H24-I127 HydrophobicContact CB-CD1 3.88Å; F26-I127 HydrophobicContact CD1-CD1 3.92Å; F26-I127 HydrophobicContact CD1-CG2 4.11Å; F26-I127 HydrophobicContact CE1-CG2 3.77Å; F26-I127 HydrophobicContact CZ-CG2 4.47Å; F55-I127 HydrophobicContact CB-CD1 4.2Å; F55-I127 HydrophobicContact CB-CG1 4.18Å; F55-I127 HydrophobicContact CD1-CD1 3.87Å; F55-I127 HydrophobicContact CD1-CG1 4.18Å; F55-I127 HydrophobicContact CD1-CG2 4.18Å; F55-I127 HydrophobicContact CE1-CG2 3.99Å; F55-I127 HydrophobicContact CE2-CG2 4.5Å; F55-I127 HydrophobicContact CG-CD1 4.18Å; F55-I127 HydrophobicContact CG-CG1 4.09Å; F55-I127 HydrophobicContact CZ-CG2 4.18Å; C57-I127 HydrophobicContact CB-CD1 3.96Å; C57-I127 HydrophobicContact CB-CG1 3.97Å; L60-I127 HydrophobicContact CD1-CB 4.38Å; L60-I127 HydrophobicContact CD1-CG1 3.57Å; L60-I127 HydrophobicContact CG-CG1 4.39Å; R112-I127 CarbonylContact C-O 3.5Å; R112-I127 VanDerWaalsContact CA-O 3.3Å; R112-I127 WeakPolarHBondContact CA-O 3.47Å; F113-I127 HydrophobicContact CB-CB 4.32Å; F113-I127 HydrophobicContact CD2-CB 4.28Å; F113-I127 HydrophobicContact CD2-CG2 3.98Å; F113-I127 PolarHBondContact N-O 3.03Å; F113-I127 PolarHBondContact O-N 3.5Å
128I94.7Very high89.4Confident22 Ų2254.1 Ų54.111%0.11330%0.303CS..EExtended strand (participates in β ladder)trans-121.7123.4175.1-48.9175.1000107.9Q20 D22 S23 I110 I111 R112Q20-I128 HydrophobicContact CB-CB 4.03Å; Q20-I128 HydrophobicContact CB-CG2 3.86Å; Q20-I128 WeakPolarHBondContact CB-O 3.34Å; Q20-I128 HydrophobicContact CG-CG2 3.99Å; Q20-I128 PolarHBondContact N-O 3.44Å; Q20-I128 VanDerWaalsContact N-O 3.1Å; D22-I128 HydrophobicContact CB-CD1 4.08Å; S23-I128 WeakPolarHBondContact CB-O 3.41Å; S23-I128 PolarHBondContact OG-N 3.46Å; S23-I128 PolarHBondContact OG-O 2.93Å; I110-I128 HydrophobicContact CG2-CG2 3.71Å; I111-I128 WeakPolarHBondContact O-CA 3.48Å; R112-I128 HydrophobicContact CB-CG1 4.13Å; R112-I128 HydrophobicContact CG-CG1 3.87Å
129A94.9Very high89.2Confident0 Ų051.3 Ų51.30%029%0.291CS..EExtended strand (participates in β ladder)trans-133.2137.7-176.700000111.1L17 T18 F26 I111L17-A129 HydrophobicContact CB-CB 4.19Å; L17-A129 HydrophobicContact CD2-CB 4.12Å; T18-A129 CarbonylContact O-C 3.59Å; T18-A129 VanDerWaalsContact O-CA 3.23Å; T18-A129 WeakPolarHBondContact O-CA 3.39Å; F26-A129 HydrophobicContact CE1-CB 4.38Å; F26-A129 HydrophobicContact CZ-CB 3.76Å; I111-A129 PolarHBondContact N-O 3Å; I111-A129 PolarHBondContact O-N 3.46Å
130Q93.9Very high89.2Confident45 Ų4551.3 Ų51.321%0.2129%0.291CS..EExtended strand (participates in β ladder)trans-86.3135163.5-179177.41500109T18 Q20T18-Q130 PolarHBondContact N-O 3.16Å; T18-Q130 PolarHBondContact O-N 2.89Å; Q20-Q130 VanDerWaalsContact NE2-CB 3.28Å
131V93.7Very high89.4Confident2 Ų243.9 Ų43.91%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-99.7133.3-174.1-167.30000109.8L15 V16 L17 G108 D109 I111 L133L15-V131 HydrophobicContact CD1-CG1 3.47Å; L15-V131 VanDerWaalsContact CD1-CG1 3.47Å; V16-V131 WeakPolarHBondContact O-CA 3.42Å; L17-V131 HydrophobicContact CD2-CG2 4.21Å; G108-V131 PolarHBondContact N-O 2.93Å; D109-V131 WeakPolarHBondContact O-CG2 3.27Å; D109-V131 PolarHBondContact O-N 3.43Å; I111-V131 HydrophobicContact CB-CG2 4.3Å; I111-V131 HydrophobicContact CD1-CG2 3.31Å; I111-V131 HydrophobicContact CG1-CG2 3.55Å; V131-L133 HydrophobicContact CG1-CD1 4.13Å; V131-L133 HydrophobicContact CG1-CD2 3.51Å; V131-L133 HydrophobicContact CG1-CG 3.56Å
132A94Very high89.5Confident18 Ų1842.6 Ų42.615%0.14924%0.244CC..EExtended strand (participates in β ladder)trans-120.6124.7158.800000108.8V16 Y134V16-A132 HydrophobicContact CB-CB 4.2Å; V16-A132 PolarHBondContact N-O 3Å; V16-A132 PolarHBondContact O-N 2.82Å; A132-Y134 HydrophobicContact CB-CE2 3.84Å
133L93.2Very high89Confident0 Ų042.6 Ų42.60%024%0.239CC..EExtended strand (participates in β ladder)trans-114.6130-175.9-58168.2000108.8L15 F74 I105 S107 V131 E140 A141L15-L133 HydrophobicContact CB-CD2 4.35Å; L15-L133 HydrophobicContact CD1-CD2 3.47Å; L15-L133 VanDerWaalsContact CD1-CD2 3.47Å; F74-L133 HydrophobicContact CB-CD1 3.77Å; F74-L133 HydrophobicContact CB-CD2 4.39Å; F74-L133 HydrophobicContact CD1-CD2 3.87Å; F74-L133 HydrophobicContact CD2-CB 3.91Å; F74-L133 HydrophobicContact CD2-CD1 3.87Å; F74-L133 HydrophobicContact CD2-CD2 4.5Å; F74-L133 HydrophobicContact CD2-CG 4.31Å; F74-L133 HydrophobicContact CE1-CB 4.46Å; F74-L133 HydrophobicContact CE1-CD2 4.26Å; F74-L133 HydrophobicContact CE2-CB 3.84Å; F74-L133 HydrophobicContact CG-CB 4.27Å; F74-L133 HydrophobicContact CG-CD1 3.8Å; F74-L133 HydrophobicContact CG-CD2 4Å; F74-L133 HydrophobicContact CG-CG 4.24Å; F74-L133 HydrophobicContact CZ-CB 4.13Å; I105-L133 HydrophobicContact CB-CD1 4.47Å; I105-L133 HydrophobicContact CD1-CD1 4.13Å; I105-L133 HydrophobicContact CD1-CD2 4.34Å; I105-L133 HydrophobicContact CG1-CD1 3.93Å; I105-L133 VanDerWaalsContact O-CD1 3.3Å; I105-L133 WeakPolarHBondContact O-CD1 3.33Å; S107-L133 WeakPolarHBondContact OG-CA 3.5Å; S107-L133 WeakPolarHBondContact OG-CB 3.47Å; S107-L133 PolarHBondContact OG-N 2.92Å; S107-L133 PolarHBondContact OG-O 3.13Å; V131-L133 HydrophobicContact CG1-CD1 4.13Å; V131-L133 HydrophobicContact CG1-CD2 3.51Å; V131-L133 HydrophobicContact CG1-CG 3.56Å; L133-E140 CarbonylContact O-C 3.53Å; L133-E140 WeakPolarHBondContact O-CA 3.37Å; L133-A141 HydrophobicContact CB-CB 3.82Å; L133-A141 PolarHBondContact O-N 3.27Å
134Y92.7Very high87.7Confident81 Ų8142.6 Ų42.632%0.31824%0.243SC..EExtended strand (participates in β ladder)trans-123.2125.5178-58-86.5000108.9P13 V14 V16 A132 A139 E140P13-Y134 CarbonylContact C-O 3.58Å; P13-Y134 VanDerWaalsContact CA-O 3.25Å; P13-Y134 WeakPolarHBondContact CA-O 3.27Å; V14-Y134 HydrophobicContact CB-CD2 4.39Å; V14-Y134 PolarHBondContact N-O 3.48Å; V14-Y134 PolarHBondContact O-N 3.46Å; V16-Y134 HydrophobicContact CG2-CD2 4.4Å; V16-Y134 HydrophobicContact CG2-CE2 3.99Å; A132-Y134 HydrophobicContact CB-CE2 3.84Å; Y134-A139 WeakPolarHBondContact CA-O 3.37Å; Y134-E140 HydrophobicContact CD1-CB 4.26Å; Y134-E140 HydrophobicContact CE1-CB 4.2Å; Y134-E140 HydrophobicContact CE1-CG 4.25Å
135H89.9Confident86.2Confident18 Ų1846.2 Ų46.28%0.08327%0.267CS..  trans-67.6164.3171.1-68-71.5000110.7H69 D72 F74 N137 G138 A139 A141H69-H135 AromaticContact NE2-ND1 3.46Å; H69-H135 PolarHBondContact NE2-ND1 3.27Å; D72-H135 PolarHBondContact O-CE1 3.01Å; D72-H135 VanDerWaalsContact O-CE1 3.25Å; D72-H135 IonicContact OD1-CD2 2.68Å; D72-H135 IonicContact OD1-CE1 2.67Å; D72-H135 PolarHBondContact OD1-CE1 3.41Å; D72-H135 VanDerWaalsContact OD1-CE1 3.23Å; D72-H135 IonicContact OD1-CG 2.82Å; D72-H135 IonicContact OD1-ND1 3.57Å; D72-H135 PolarHBondContact OD1-ND1 3.44Å; D72-H135 VanDerWaalsContact OD1-ND1 3.14Å; D72-H135 IonicContact OD1-NE2 3.5Å; F74-H135 AromaticContact CE2-CE1 3.44Å; F74-H135 VanDerWaalsContact CE2-CE1 3.44Å; F74-H135 WeakPolarHBondContact CE2-CE1 3.47Å; F74-H135 AromaticContact CE2-ND1 3.53Å; F74-H135 AromaticContact CE2-NE2 3.95Å; H135-N137 WeakPolarHBondContact CB-OD1 3.47Å; H135-N137 PolarHBondContact O-N 3.38Å; H135-N137 VanDerWaalsContact O-N 3.13Å; H135-G138 PolarHBondContact O-N 3.48Å; H135-A139 PolarHBondContact CD2-O 3.42Å; H135-A139 PolarHBondContact N-O 3.01Å; H135-A141 WeakPolarHBondContact NE2-CB 3.38Å
136P84.9Confident84.1Confident45 Ų4552.2 Ų52.229%0.29230%0.296SS..THydrogen-bonded Turntrans-55.6-29.7177.7-25.734.8000113.9E10 E11 P13 G138E10-P136 CarbonylContact C-O 3.59Å; E11-P136 WeakPolarHBondContact CA-O 3.46Å; P13-P136 HydrophobicContact CB-CG 4.26Å; P13-P136 HydrophobicContact CG-CG 4.47Å; P136-G138 PolarHBondContact O-N 2.97Å
137N83.9Confident81.7Confident121 Ų12161.6 Ų61.665%0.64733%0.333SS*.THydrogen-bonded Turntrans-78.45176.365.10.6000113.8H135 A139H135-N137 WeakPolarHBondContact CB-OD1 3.47Å; H135-N137 PolarHBondContact O-N 3.38Å; H135-N137 VanDerWaalsContact O-N 3.13Å; N137-A139 PolarHBondContact O-N 3.34Å; N137-A139 WeakPolarHBondContact OD1-CB 3.1Å; N137-A139 PolarHBondContact OD1-N 3.02Å
138G81.1Confident79.3Confident53 Ų5367 Ų6755%0.54637%0.366SS..SBendtrans79.4-6.2-176.400000115.1H135 P136 E140H135-G138 PolarHBondContact O-N 3.48Å; P136-G138 PolarHBondContact O-N 2.97Å; G138-E140 PolarHBondContact O-N 3.45Å
139A84.9Confident76.9Confident45 Ų4571.2 Ų71.237%0.37240%0.397SS..  trans-67.2133.5177.400000110.6Y134 H135 N137Y134-A139 WeakPolarHBondContact CA-O 3.37Å; H135-A139 PolarHBondContact CD2-O 3.42Å; H135-A139 PolarHBondContact N-O 3.01Å; N137-A139 PolarHBondContact O-N 3.34Å; N137-A139 WeakPolarHBondContact OD1-CB 3.1Å; N137-A139 PolarHBondContact OD1-N 3.02Å
140E86.2Confident74.3Confident73 Ų7377.7 Ų77.734%0.34143%0.431SS..BIsolated β-bridgetrans-74.8127.8175.2-170.8-177167.500109.7S107 L133 Y134 G138 K142S107-E140 VanDerWaalsContact CB-OE1 3.25Å; S107-E140 WeakPolarHBondContact CB-OE1 3.21Å; S107-E140 VanDerWaalsContact OG-CG 3.31Å; S107-E140 WeakPolarHBondContact OG-CG 3.29Å; L133-E140 CarbonylContact O-C 3.53Å; L133-E140 WeakPolarHBondContact O-CA 3.37Å; Y134-E140 HydrophobicContact CD1-CB 4.26Å; Y134-E140 HydrophobicContact CE1-CB 4.2Å; Y134-E140 HydrophobicContact CE1-CG 4.25Å; G138-E140 PolarHBondContact O-N 3.45Å; E140-K142 HydrophobicContact CB-CG 4.37Å; E140-K142 HydrophobicContact CG-CG 4.04Å; E140-K142 PolarHBondContact O-N 3Å; E140-K142 WeakPolarHBondContact OE1-CE 3.31Å; E140-K142 WeakPolarHBondContact OE2-CE 3.48Å; E140-K142 IonicContact OE2-NZ 3.23Å; E140-K142 PolarHBondContact OE2-NZ 3.06Å
141A85.2Confident72.1Confident8 Ų882.9 Ų82.97%0.06646%0.46CS..  trans-74.661.8-177.300000112.2F74 F106 S107 L133 H135F74-A141 HydrophobicContact CD2-CB 3.76Å; F74-A141 HydrophobicContact CE2-CB 3.62Å; F106-A141 WeakPolarHBondContact CA-O 3.21Å; S107-A141 PolarHBondContact N-O 2.97Å; S107-A141 PolarHBondContact OG-N 2.92Å; L133-A141 HydrophobicContact CB-CB 3.82Å; L133-A141 PolarHBondContact O-N 3.27Å; H135-A141 WeakPolarHBondContact NE2-CB 3.38Å
142K83.4Confident69.7Low138 Ų13888.9 Ų88.960%0.649%0.493SS*.  trans-72.4141.6177-64.2-175.2-176177.30109.8E140 S144E140-K142 HydrophobicContact CB-CG 4.37Å; E140-K142 HydrophobicContact CG-CG 4.04Å; E140-K142 PolarHBondContact O-N 3Å; E140-K142 WeakPolarHBondContact OE1-CE 3.31Å; E140-K142 WeakPolarHBondContact OE2-CE 3.48Å; E140-K142 IonicContact OE2-NZ 3.23Å; E140-K142 PolarHBondContact OE2-NZ 3.06Å; K142-S144 PolarHBondContact O-N 3.39Å; K142-S144 VanDerWaalsContact O-N 3.14Å
143Q75.5Confident67.4Low76 Ų7691.8 Ų91.836%0.35551%0.508SS..  trans-62.1115.6172.4-169.1175.818.200109.2F106F106-Q143 HydrophobicContact CB-CB 3.96Å; F106-Q143 HydrophobicContact CD1-CB 4.04Å; F106-Q143 HydrophobicContact CD1-CG 4.47Å; F106-Q143 HydrophobicContact CD2-CB 3.96Å; F106-Q143 HydrophobicContact CD2-CG 3.93Å; F106-Q143 HydrophobicContact CE2-CB 4.5Å; F106-Q143 HydrophobicContact CE2-CG 4.05Å; F106-Q143 HydrophobicContact CG-CB 3.7Å; F106-Q143 HydrophobicContact CG-CG 4.15Å; F106-Q143 HydrophobicContact CZ-CG 4.37Å
144S61.6Low65.3Low90 Ų9098.7 Ų98.763%0.62954%0.544SS*.  trans-79.8131.8171.574.20000109.4K142 D146K142-S144 PolarHBondContact O-N 3.39Å; K142-S144 VanDerWaalsContact O-N 3.14Å; S144-D146 VanDerWaalsContact C-N 3.32Å
145V57Low63.2Low116 Ų11699 Ų9970%0.70356%0.555SS**SBendtrans-85.8-6.2-175.7-173.10000111.8Y147V145-Y147 PolarHBondContact O-N 3.32Å
146D46Very low61.4Low141 Ų14199.7 Ų99.775%0.75457%0.567SS**SBendtrans-86.94.9-163.5-73.5-18.5000116.8S144S144-D146 VanDerWaalsContact C-N 3.32Å
147Y44.8Very low59.9Low201 Ų201102.2 Ų102.279%0.78858%0.577SS**  trans-138.867.6-179.8-65.4-82.7000113.8V145 S149V145-Y147 PolarHBondContact O-N 3.32Å; Y147-S149 PolarHBondContact O-N 2.92Å
148V44Very low58.6Low115 Ų115102.7 Ų102.770%0.69758%0.575SS**  trans-83.489.7160-176.50000108.7N150V148-N150 PolarHBondContact O-N 3.16Å
149S43.7Very low57.5Low110 Ų110103.6 Ų103.677%0.76957%0.57SS**  trans-64.394.3167.1-95.50000111.2Y147 N151Y147-S149 PolarHBondContact O-N 2.92Å; S149-N151 PolarHBondContact O-N 2.93Å
150N41Very low56.5Low135 Ų135104 Ų10472%0.72257%0.566SS**SBendtrans31.1-7.6143.2-926.9000126.5V148V148-N150 PolarHBondContact O-N 3.16Å
151N46.7Very low56.1Low154 Ų154106.5 Ų106.582%0.82458%0.577SS**SBendtrans-123.310.8-164.6-77.3-7.2000119.1S149S149-N151 PolarHBondContact O-N 2.93Å
152D43.7Very low55.9Low129 Ų129110.3 Ų110.369%0.6960%0.6SS**  trans-151.761.7167.4-144.72.3000112.1L154D152-L154 PolarHBondContact O-N 3.38Å
153V46.2Very low55.8Low79 Ų79104.6 Ų104.648%0.47958%0.575SS.*Hα-helixtrans-75.7-22.2-155.3177.30000114.2I157V153-I157 HydrophobicContact CG1-CD1 3.54Å; V153-I157 HydrophobicContact CG1-CG1 4.5Å; V153-I157 WeakPolarHBondContact O-CB 3.48Å; V153-I157 WeakPolarHBondContact O-CD1 3.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å
154L49.4Very low56.2Low144 Ų144105.5 Ų105.575%0.75458%0.579SS**Hα-helixtrans-88.8-47.9-171.3-94.6136.8000114.5D152D152-L154 PolarHBondContact O-N 3.38Å
155T49.4Very low57.2Low89 Ų89106 Ų10655%0.54657%0.573SS.*Hα-helixtrans-84-31.3-178550000112.4T159T155-T159 WeakPolarHBondContact O-CG2 3.31Å; T155-T159 PolarHBondContact O-N 3.26Å; T155-T159 VanDerWaalsContact O-N 3.12Å; T155-T159 PolarHBondContact O-OG1 3.42Å
156G50.5Low58.5Low32 Ų32103.6 Ų103.633%0.3355%0.553SS.*Hα-helixtrans-66-37.8176.300000112.8T159 L160G156-T159 WeakPolarHBondContact CA-OG1 3.48Å; G156-T159 PolarHBondContact O-OG1 3.46Å; G156-T159 VanDerWaalsContact O-OG1 3.13Å; G156-L160 WeakPolarHBondContact O-CB 3.06Å; G156-L160 PolarHBondContact O-N 2.96Å
157I53.8Low60.1Low97 Ų9799 Ų9950%0.49753%0.525SS..Hα-helixtrans-69.1-45.3178.8-70.2-179.9000110.9V153 L160 H161V153-I157 HydrophobicContact CG1-CD1 3.54Å; V153-I157 HydrophobicContact CG1-CG1 4.5Å; V153-I157 WeakPolarHBondContact O-CB 3.48Å; V153-I157 WeakPolarHBondContact O-CD1 3.24Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å; I157-L160 PolarHBondContact O-N 3.4Å; I157-H161 WeakPolarHBondContact O-CB 3.35Å; I157-H161 PolarHBondContact O-N 3.46Å
158E57Low61.9Low132 Ų13295.2 Ų95.262%0.61751%0.513SS*.Hα-helixtrans-63.2-43.6178.4-71-177.4172.500112T162E158-T162 VanDerWaalsContact O-CB 3.31Å; E158-T162 WeakPolarHBondContact O-CB 3.44Å; E158-T162 PolarHBondContact O-N 3.1Å; E158-T162 PolarHBondContact O-OG1 3.24Å
159T58.5Low63.9Low71 Ų7193.2 Ų93.244%0.43650%0.501SS..Hα-helixtrans-67.9-44.3178.5500000111.8T155 G156 T162 E163T155-T159 WeakPolarHBondContact O-CG2 3.31Å; T155-T159 PolarHBondContact O-N 3.26Å; T155-T159 VanDerWaalsContact O-N 3.12Å; T155-T159 PolarHBondContact O-OG1 3.42Å; G156-T159 WeakPolarHBondContact CA-OG1 3.48Å; G156-T159 PolarHBondContact O-OG1 3.46Å; G156-T159 VanDerWaalsContact O-OG1 3.13Å; T159-T162 PolarHBondContact O-N 3.02Å; T159-E163 WeakPolarHBondContact O-CG 3.33Å; T159-E163 PolarHBondContact O-N 3.1Å
160L63.4Low65.9Low54 Ų5488.9 Ų88.928%0.28347%0.469SS..Hα-helixtrans-62.1-45.2176.7-176.368.3000111.7G156 I157 T162 E163 Q164G156-L160 WeakPolarHBondContact O-CB 3.06Å; G156-L160 PolarHBondContact O-N 2.96Å; I157-L160 PolarHBondContact O-N 3.4Å; L160-T162 VanDerWaalsContact C-N 3.32Å; L160-T162 PolarHBondContact O-N 3.02Å; L160-E163 PolarHBondContact O-N 3.05Å; L160-Q164 WeakPolarHBondContact O-CB 3.33Å; L160-Q164 VanDerWaalsContact O-CG 3.3Å; L160-Q164 WeakPolarHBondContact O-CG 3.43Å; L160-Q164 PolarHBondContact O-N 2.99Å
161H77.7Confident68Low125 Ų12585.9 Ų85.958%0.57945%0.448SS*.Hα-helixtrans-62.2-41176.4-178.4-92.8000111.5I157 Q164 M165I157-H161 WeakPolarHBondContact O-CB 3.35Å; I157-H161 PolarHBondContact O-N 3.46Å; H161-Q164 PolarHBondContact O-N 2.94Å; H161-M165 VanDerWaalsContact O-CB 3.29Å; H161-M165 WeakPolarHBondContact O-CB 3.32Å; H161-M165 PolarHBondContact O-N 3.02Å
162T80.5Confident70.1Confident88 Ų8882.1 Ų82.154%0.5443%0.427SS..Hα-helixtrans-64.8-42.3177.5-56.70000111.9E158 T159 L160 M165 F166E158-T162 VanDerWaalsContact O-CB 3.31Å; E158-T162 WeakPolarHBondContact O-CB 3.44Å; E158-T162 PolarHBondContact O-N 3.1Å; E158-T162 PolarHBondContact O-OG1 3.24Å; T159-T162 PolarHBondContact O-N 3.02Å; L160-T162 VanDerWaalsContact C-N 3.32Å; L160-T162 PolarHBondContact O-N 3.02Å; T162-M165 PolarHBondContact O-N 3.37Å; T162-F166 WeakPolarHBondContact O-CB 3.36Å; T162-F166 PolarHBondContact O-N 3.5Å
163E82.3Confident72Confident19 Ų1977.5 Ų77.59%0.08941%0.405CS..Hα-helixtrans-67.5-41.1177.6-72.6-171.7173.200112.7N88 T90 R103 T159 L160 F166 R167N88-E163 HydrophobicContact CB-CB 3.8Å; N88-E163 HydrophobicContact CB-CG 3.81Å; T90-E163 WeakPolarHBondContact CB-OE1 3.48Å; T90-E163 WeakPolarHBondContact OG1-CG 3.41Å; T90-E163 PolarHBondContact OG1-OE1 3.22Å; R103-E163 IonicContact CZ-OE1 3.63Å; R103-E163 VanDerWaalsContact CZ-OE1 3.27Å; R103-E163 IonicContact CZ-OE2 3.14Å; R103-E163 IonicContact NH1-OE1 3.6Å; R103-E163 PolarHBondContact NH1-OE1 3.25Å; R103-E163 IonicContact NH2-OE1 3.1Å; R103-E163 PolarHBondContact NH2-OE1 3.27Å; R103-E163 IonicContact NH2-OE2 3.99Å; R103-E163 PolarHBondContact NH2-OE2 3.32Å; T159-E163 WeakPolarHBondContact O-CG 3.33Å; T159-E163 PolarHBondContact O-N 3.1Å; L160-E163 PolarHBondContact O-N 3.05Å; E163-F166 PolarHBondContact O-N 3.48Å; E163-R167 WeakPolarHBondContact O-CG 3.4Å; E163-R167 PolarHBondContact O-N 3.35Å
164Q82.3Confident74Confident94 Ų9475.6 Ų75.644%0.43939%0.391SS..Hα-helixtrans-64.6-43.9175.2-71.5178.223.300111.4L160 H161 F166 R167 F168L160-Q164 WeakPolarHBondContact O-CB 3.33Å; L160-Q164 VanDerWaalsContact O-CG 3.3Å; L160-Q164 WeakPolarHBondContact O-CG 3.43Å; L160-Q164 PolarHBondContact O-N 2.99Å; H161-Q164 PolarHBondContact O-N 2.94Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; Q164-F166 PolarHBondContact O-N 3.23Å; Q164-R167 PolarHBondContact O-N 3.03Å; Q164-F168 WeakPolarHBondContact O-CB 3.47Å; Q164-F168 PolarHBondContact O-N 3.01Å
165M83.1Confident75.8Confident101 Ų10170.8 Ų70.850%0.49837%0.372SS..Hα-helixtrans-62.9-39176.4-172.561.3-173.900111.8H161 T162 F168 T169H161-M165 VanDerWaalsContact O-CB 3.29Å; H161-M165 WeakPolarHBondContact O-CB 3.32Å; H161-M165 PolarHBondContact O-N 3.02Å; T162-M165 PolarHBondContact O-N 3.37Å; M165-F168 PolarHBondContact O-N 3.39Å; M165-F168 HydrophobicContact SD-CD1 4.48Å; M165-T169 WeakPolarHBondContact O-CB 3.39Å; M165-T169 PolarHBondContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 3.18Å
166F84Confident77.7Confident66 Ų6671.6 Ų71.629%0.28937%0.372SS..Hα-helixtrans-61.5-49.4173.1175.5-96.8000111.5N89 I110 T162 E163 Q164 F168 T169 H170N89-F166 HydrophobicContact CB-CD1 4.11Å; N89-F166 HydrophobicContact CB-CD2 3.86Å; N89-F166 HydrophobicContact CB-CE1 4.11Å; N89-F166 HydrophobicContact CB-CE2 3.85Å; N89-F166 HydrophobicContact CB-CG 3.99Å; N89-F166 HydrophobicContact CB-CZ 3.99Å; I110-F166 HydrophobicContact CB-CE1 4.4Å; I110-F166 HydrophobicContact CD1-CE1 3.99Å; T162-F166 WeakPolarHBondContact O-CB 3.36Å; T162-F166 PolarHBondContact O-N 3.5Å; E163-F166 PolarHBondContact O-N 3.48Å; Q164-F166 VanDerWaalsContact C-N 3.32Å; Q164-F166 PolarHBondContact O-N 3.23Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.91Å; F166-T169 PolarHBondContact O-N 3.26Å; F166-H170 WeakPolarHBondContact O-CB 3.45Å; F166-H170 PolarHBondContact O-N 3.43Å
167R80.8Confident79.3Confident43 Ų4374.9 Ų74.916%0.16238%0.377CS..Hα-helixtrans-58.6-44.9177.3-75.1-178.862.9172-7.6111.7N88 G108 D109 E163 Q164 H170 Y171N88-R167 HydrophobicContact CB-CG 4.46Å; G108-R167 PolarHBondContact O-NE 2.78Å; G108-R167 PolarHBondContact O-NH2 2.99Å; D109-R167 IonicContact OD1-CZ 3.68Å; D109-R167 IonicContact OD1-NH1 3.62Å; D109-R167 PolarHBondContact OD1-NH1 3.2Å; E163-R167 WeakPolarHBondContact O-CG 3.4Å; E163-R167 PolarHBondContact O-N 3.35Å; Q164-R167 PolarHBondContact O-N 3.03Å; R167-H170 WeakPolarHBondContact O-CB 3.36Å; R167-H170 PolarHBondContact O-N 3.2Å; R167-Y171 HydrophobicContact CB-CE2 4.44Å; R167-Y171 PolarHBondContact NE-OH 2.92Å; R167-Y171 PolarHBondContact NH2-OH 3Å; R167-Y171 WeakPolarHBondContact O-CD2 3.35Å; R167-Y171 PolarHBondContact O-N 3.45Å
168F83.2Confident81.1Confident122 Ų12276.4 Ų76.454%0.53538%0.377SS..Hα-helixtrans-62.1-48.2178.4-177.3-113.1000112Q164 M165 F166 H170 Y171 I172Q164-F168 WeakPolarHBondContact O-CB 3.47Å; Q164-F168 PolarHBondContact O-N 3.01Å; M165-F168 PolarHBondContact O-N 3.39Å; M165-F168 HydrophobicContact SD-CD1 4.48Å; F166-F168 VanDerWaalsContact C-N 3.33Å; F166-F168 PolarHBondContact O-N 2.91Å; F168-H170 VanDerWaalsContact C-N 3.28Å; F168-H170 PolarHBondContact O-N 3.49Å; F168-Y171 PolarHBondContact O-N 3.41Å; F168-I172 HydrophobicContact CD1-CD1 3.79Å; F168-I172 HydrophobicContact CD2-CD1 4.46Å; F168-I172 HydrophobicContact CE1-CD1 3.33Å; F168-I172 HydrophobicContact CE1-CG1 4.49Å; F168-I172 HydrophobicContact CE2-CD1 4.07Å; F168-I172 HydrophobicContact CE2-CG1 4.48Å; F168-I172 HydrophobicContact CG-CD1 4.34Å; F168-I172 HydrophobicContact CZ-CD1 3.5Å; F168-I172 HydrophobicContact CZ-CG1 4.34Å; F168-I172 WeakPolarHBondContact O-CG1 3.45Å; F168-I172 PolarHBondContact O-N 3.29Å
169T85.9Confident82.7Confident73 Ų7375.5 Ų75.545%0.44837%0.373SS..Hα-helixtrans-59.5-40.9176.1-56.10000111.3M165 F166 I172 S173M165-T169 WeakPolarHBondContact O-CB 3.39Å; M165-T169 PolarHBondContact O-N 3.17Å; M165-T169 PolarHBondContact O-OG1 3.18Å; F166-T169 PolarHBondContact O-N 3.26Å; T169-I172 PolarHBondContact O-N 3.29Å; T169-S173 WeakPolarHBondContact O-CB 3.44Å; T169-S173 PolarHBondContact O-N 2.73Å
170H84.5Confident84.2Confident19 Ų1978 Ų789%0.08838%0.379CS..Hα-helixtrans-61.5-50.3176.4-172.784.1000111.7Q20 I110 F166 R167 F168 I172 S173 E174Q20-H170 PolarHBondContact OE1-CE1 3.28Å; Q20-H170 VanDerWaalsContact OE1-CE1 3.25Å; Q20-H170 PolarHBondContact OE1-NE2 3.03Å; I110-H170 HydrophobicContact CD1-CB 3.77Å; I110-H170 WeakPolarHBondContact CD1-CD2 3.45Å; F166-H170 WeakPolarHBondContact O-CB 3.45Å; F166-H170 PolarHBondContact O-N 3.43Å; R167-H170 WeakPolarHBondContact O-CB 3.36Å; R167-H170 PolarHBondContact O-N 3.2Å; F168-H170 VanDerWaalsContact C-N 3.28Å; F168-H170 PolarHBondContact O-N 3.49Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.24Å; H170-S173 PolarHBondContact O-N 2.75Å; H170-S173 VanDerWaalsContact O-N 3.11Å; H170-S173 PolarHBondContact O-OG 3.08Å; H170-E174 PolarHBondContact O-N 2.93Å
171Y85.9Confident85.5Confident73 Ų7377.4 Ų77.429%0.28638%0.378SS..Hα-helixtrans-61.4-39.1179.3-65.8-32.2000113.2G108 R167 F168 E174 A175G108-Y171 PolarHBondContact O-OH 3.36Å; R167-Y171 HydrophobicContact CB-CE2 4.44Å; R167-Y171 PolarHBondContact NE-OH 2.92Å; R167-Y171 PolarHBondContact NH2-OH 3Å; R167-Y171 WeakPolarHBondContact O-CD2 3.35Å; R167-Y171 PolarHBondContact O-N 3.45Å; F168-Y171 PolarHBondContact O-N 3.41Å; Y171-E174 PolarHBondContact O-N 3.41Å; Y171-A175 VanDerWaalsContact O-CB 3.31Å; Y171-A175 WeakPolarHBondContact O-CB 3.46Å; Y171-A175 PolarHBondContact O-N 3.45Å
172I89.3Confident86.2Confident74 Ų7476.6 Ų76.638%0.37938%0.377SS..Hα-helixtrans-61.6-48.2173.5-69.5168000110F168 T169 H170 E174 A175 L176F168-I172 HydrophobicContact CD1-CD1 3.79Å; F168-I172 HydrophobicContact CD2-CD1 4.46Å; F168-I172 HydrophobicContact CE1-CD1 3.33Å; F168-I172 HydrophobicContact CE1-CG1 4.49Å; F168-I172 HydrophobicContact CE2-CD1 4.07Å; F168-I172 HydrophobicContact CE2-CG1 4.48Å; F168-I172 HydrophobicContact CG-CD1 4.34Å; F168-I172 HydrophobicContact CZ-CD1 3.5Å; F168-I172 HydrophobicContact CZ-CG1 4.34Å; F168-I172 WeakPolarHBondContact O-CG1 3.45Å; F168-I172 PolarHBondContact O-N 3.29Å; T169-I172 PolarHBondContact O-N 3.29Å; H170-I172 VanDerWaalsContact C-N 3.34Å; H170-I172 PolarHBondContact O-N 3.24Å; I172-E174 PolarHBondContact O-N 3.04Å; I172-A175 PolarHBondContact O-N 3.29Å; I172-A175 VanDerWaalsContact O-N 3.15Å; I172-L176 HydrophobicContact CG2-CD1 3.83Å; I172-L176 HydrophobicContact CG2-CG 4.23Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 2.89Å
173S85.4Confident86.8Confident32 Ų3276.8 Ų76.822%0.22438%0.375CS..Hα-helixtrans-63.8-30.5-17980.20000112.9R21 T169 H170 F177R21-S173 PolarHBondContact NH1-O 3.36Å; R21-S173 VanDerWaalsContact NH1-O 3.11Å; R21-S173 PolarHBondContact NH1-OG 3.36Å; R21-S173 PolarHBondContact NH2-OG 3.29Å; T169-S173 WeakPolarHBondContact O-CB 3.44Å; T169-S173 PolarHBondContact O-N 2.73Å; H170-S173 PolarHBondContact O-N 2.75Å; H170-S173 VanDerWaalsContact O-N 3.11Å; H170-S173 PolarHBondContact O-OG 3.08Å; S173-F177 WeakPolarHBondContact O-CB 3.06Å; S173-F177 PolarHBondContact O-N 2.9Å
174E86.5Confident87.3Confident39 Ų3979.9 Ų79.918%0.18240%0.396CS..Hα-helixtrans-75.6-40.3173.7-166-167.4146.400111.4H170 Y171 I172 F177 R178H170-E174 PolarHBondContact O-N 2.93Å; Y171-E174 PolarHBondContact O-N 3.41Å; I172-E174 PolarHBondContact O-N 3.04Å; E174-F177 PolarHBondContact O-N 3.31Å; E174-R178 WeakPolarHBondContact O-CB 3.35Å; E174-R178 VanDerWaalsContact O-CG 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 2.88Å; E174-R178 PolarHBondContact O-NE 2.66Å; E174-R178 IonicContact OE1-CZ 2.82Å; E174-R178 IonicContact OE1-NE 3.45Å; E174-R178 IonicContact OE1-NH1 2.85Å; E174-R178 PolarHBondContact OE1-NH1 3.05Å
175A88.5Confident87.9Confident43 Ų4381.1 Ų81.136%0.35540%0.399SS..Hα-helixtrans-61.7-49.4176.100000111.9Y171 I172 F177 R178 E179Y171-A175 VanDerWaalsContact O-CB 3.31Å; Y171-A175 WeakPolarHBondContact O-CB 3.46Å; Y171-A175 PolarHBondContact O-N 3.45Å; I172-A175 PolarHBondContact O-N 3.29Å; I172-A175 VanDerWaalsContact O-N 3.15Å; A175-F177 VanDerWaalsContact C-N 3.28Å; A175-F177 PolarHBondContact O-N 2.83Å; A175-R178 PolarHBondContact O-N 3.4Å; A175-E179 PolarHBondContact O-N 2.94Å
176L88.6Confident88.4Confident106 Ų10680.3 Ų80.356%0.55540%0.397SS*.Hα-helixtrans-58.9-39.6176.9-70.7172.9000112.1I172 E179 Q180I172-L176 HydrophobicContact CG2-CD1 3.83Å; I172-L176 HydrophobicContact CG2-CG 4.23Å; I172-L176 WeakPolarHBondContact O-CG 3.47Å; I172-L176 PolarHBondContact O-N 2.89Å; L176-E179 WeakPolarHBondContact O-CB 3.49Å; L176-E179 PolarHBondContact O-N 3.42Å; L176-Q180 PolarHBondContact O-N 3.17Å
177F85.1Confident88.7Confident101 Ų10182.5 Ų82.544%0.44341%0.408SS..Hα-helixtrans-69.5-43.7176.6176.7-101.3000112.4S173 E174 A175 E179 Q180 V181S173-F177 WeakPolarHBondContact O-CB 3.06Å; S173-F177 PolarHBondContact O-N 2.9Å; E174-F177 PolarHBondContact O-N 3.31Å; A175-F177 VanDerWaalsContact C-N 3.28Å; A175-F177 PolarHBondContact O-N 2.83Å; F177-E179 PolarHBondContact O-N 2.91Å; F177-Q180 PolarHBondContact O-N 3.31Å; F177-V181 HydrophobicContact CD1-CG2 4.16Å; F177-V181 HydrophobicContact CD2-CG2 4.49Å; F177-V181 HydrophobicContact CE1-CG2 3.61Å; F177-V181 HydrophobicContact CE2-CG2 3.98Å; F177-V181 HydrophobicContact CZ-CG2 3.51Å; F177-V181 WeakPolarHBondContact O-CG2 3.42Å; F177-V181 PolarHBondContact O-N 3.38Å
178R89.9Confident89.4Confident129 Ų12982.5 Ų82.549%0.48741%0.414SS..Hα-helixtrans-58-40.1175.4-75.8-178.6-61.5-157.110110.7E174 A175 V181 L182E174-R178 WeakPolarHBondContact O-CB 3.35Å; E174-R178 VanDerWaalsContact O-CG 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.49Å; E174-R178 PolarHBondContact O-N 2.88Å; E174-R178 PolarHBondContact O-NE 2.66Å; E174-R178 IonicContact OE1-CZ 2.82Å; E174-R178 IonicContact OE1-NE 3.45Å; E174-R178 IonicContact OE1-NH1 2.85Å; E174-R178 PolarHBondContact OE1-NH1 3.05Å; A175-R178 PolarHBondContact O-N 3.4Å; R178-V181 PolarHBondContact O-N 3.44Å; R178-L182 WeakPolarHBondContact O-CB 3.4Å; R178-L182 VanDerWaalsContact O-CG 3.24Å; R178-L182 WeakPolarHBondContact O-CG 3.4Å; R178-L182 PolarHBondContact O-N 2.88Å
179E91.8Very high89.9Confident113 Ų11381.6 Ų81.653%0.52841%0.414SS..Hα-helixtrans-60.1-50.2173.7-172.1174.4-168.100111.7A175 L176 F177 V181 L182 D183A175-E179 PolarHBondContact O-N 2.94Å; L176-E179 WeakPolarHBondContact O-CB 3.49Å; L176-E179 PolarHBondContact O-N 3.42Å; F177-E179 PolarHBondContact O-N 2.91Å; E179-V181 VanDerWaalsContact C-N 3.31Å; E179-V181 PolarHBondContact O-N 2.76Å; E179-L182 CarbonylContact O-C 3.59Å; E179-L182 WeakPolarHBondContact O-CA 3.48Å; E179-L182 WeakPolarHBondContact O-CB 3.48Å; E179-L182 PolarHBondContact O-N 2.97Å; E179-D183 PolarHBondContact O-N 3.43Å
180Q90.5Very high90.1Very high124 Ų12483.4 Ų83.458%0.57942%0.416SS*.Hα-helixtrans-58.1-40.9176.3-172.1-178.80.900113L176 F177 D183 T184L176-Q180 PolarHBondContact O-N 3.17Å; F177-Q180 PolarHBondContact O-N 3.31Å; Q180-D183 PolarHBondContact O-N 3.47Å; Q180-T184 WeakPolarHBondContact O-CG2 3.26Å; Q180-T184 PolarHBondContact O-N 2.98Å; Q180-T184 PolarHBondContact O-OG1 2.76Å
181V90.5Very high90.5Very high41 Ų4189.7 Ų89.725%0.24844%0.439CS..Hα-helixtrans-66.6-38.5175.4172.40000111.3F177 R178 E179 T184 K185F177-V181 HydrophobicContact CD1-CG2 4.16Å; F177-V181 HydrophobicContact CD2-CG2 4.49Å; F177-V181 HydrophobicContact CE1-CG2 3.61Å; F177-V181 HydrophobicContact CE2-CG2 3.98Å; F177-V181 HydrophobicContact CZ-CG2 3.51Å; F177-V181 WeakPolarHBondContact O-CG2 3.42Å; F177-V181 PolarHBondContact O-N 3.38Å; R178-V181 PolarHBondContact O-N 3.44Å; E179-V181 VanDerWaalsContact C-N 3.31Å; E179-V181 PolarHBondContact O-N 2.76Å; V181-T184 WeakPolarHBondContact CA-OG1 3.47Å; V181-T184 PolarHBondContact O-OG1 3.34Å; V181-K185 HydrophobicContact CG1-CD 4.15Å; V181-K185 WeakPolarHBondContact O-CB 3.35Å; V181-K185 VanDerWaalsContact O-CG 3.27Å; V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 3.23Å; V181-K185 VanDerWaalsContact O-N 3.07Å
182L91.5Very high90.9Very high108 Ų10890.7 Ų90.757%0.56545%0.448SS*.Hα-helixtrans-65.9-39.7175.4-72.2170.6000111.5R178 E179 K185 L186R178-L182 WeakPolarHBondContact O-CB 3.4Å; R178-L182 VanDerWaalsContact O-CG 3.24Å; R178-L182 WeakPolarHBondContact O-CG 3.4Å; R178-L182 PolarHBondContact O-N 2.88Å; E179-L182 CarbonylContact O-C 3.59Å; E179-L182 WeakPolarHBondContact O-CA 3.48Å; E179-L182 WeakPolarHBondContact O-CB 3.48Å; E179-L182 PolarHBondContact O-N 2.97Å; L182-K185 PolarHBondContact O-N 3.29Å; L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 PolarHBondContact O-N 3.09Å
183D92.8Very high90.9Very high92 Ų9292.5 Ų92.549%0.49246%0.458SS..Hα-helixtrans-62.1-47.9176.2-77.2-22.6000111.9E179 Q180 K185 L186 E187E179-D183 PolarHBondContact O-N 3.43Å; Q180-D183 PolarHBondContact O-N 3.47Å; D183-K185 VanDerWaalsContact C-N 3.3Å; D183-K185 PolarHBondContact O-N 2.72Å; D183-L186 PolarHBondContact O-N 2.87Å; D183-E187 WeakPolarHBondContact O-CB 3.44Å; D183-E187 PolarHBondContact O-N 2.68Å
184T92.8Very high91.1Very high85 Ų8595.4 Ų95.452%0.52147%0.468SS..Hα-helixtrans-60.9-38.5176.155.50000112.7Q180 V181 S188Q180-T184 WeakPolarHBondContact O-CG2 3.26Å; Q180-T184 PolarHBondContact O-N 2.98Å; Q180-T184 PolarHBondContact O-OG1 2.76Å; V181-T184 WeakPolarHBondContact CA-OG1 3.47Å; V181-T184 PolarHBondContact O-OG1 3.34Å; T184-S188 PolarHBondContact O-N 2.86Å
185K95.5Very high91.4Very high119 Ų11998.3 Ų98.352%0.51748%0.482SS..Hα-helixtrans-66.1-43.8174.2-74.7173.7-180178.10111.6V181 L182 D183 E187 S188 I189V181-K185 HydrophobicContact CG1-CD 4.15Å; V181-K185 WeakPolarHBondContact O-CB 3.35Å; V181-K185 VanDerWaalsContact O-CG 3.27Å; V181-K185 WeakPolarHBondContact O-CG 3.39Å; V181-K185 PolarHBondContact O-N 3.23Å; V181-K185 VanDerWaalsContact O-N 3.07Å; L182-K185 PolarHBondContact O-N 3.29Å; D183-K185 VanDerWaalsContact C-N 3.3Å; D183-K185 PolarHBondContact O-N 2.72Å; K185-E187 VanDerWaalsContact C-N 3.3Å; K185-E187 PolarHBondContact O-N 3.41Å; K185-S188 PolarHBondContact O-N 2.98Å; K185-I189 WeakPolarHBondContact O-CG1 3.35Å; K185-I189 PolarHBondContact O-N 2.77Å
186L92.5Very high91.6Very high84 Ų8499 Ų9944%0.4449%0.488SS..Hα-helixtrans-61.3-42.5178.1-177.665.2000110.7L182 D183 I189 K190L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.33Å; L182-L186 PolarHBondContact O-N 3.09Å; D183-L186 PolarHBondContact O-N 2.87Å; L186-I189 PolarHBondContact O-N 3.21Å; L186-K190 WeakPolarHBondContact O-CG 3.47Å; L186-K190 PolarHBondContact O-N 2.99Å
187E92.4Very high91.6Very high113 Ų11398.1 Ų98.153%0.52848%0.481SS..Hα-helixtrans-65.2-41.6176.6-165.356.7-148.800112D183 K185 I189 K190 R191D183-E187 WeakPolarHBondContact O-CB 3.44Å; D183-E187 PolarHBondContact O-N 2.68Å; K185-E187 VanDerWaalsContact C-N 3.3Å; K185-E187 PolarHBondContact O-N 3.41Å; E187-I189 VanDerWaalsContact C-N 3.33Å; E187-I189 PolarHBondContact O-N 2.9Å; E187-K190 PolarHBondContact O-N 3.31Å; E187-K190 IonicContact OE2-NZ 2.75Å; E187-R191 PolarHBondContact O-N 3.19Å
188S93.5Very high91.8Very high42 Ų4298.5 Ų98.529%0.29448%0.484SS..Hα-helixtrans-61.6-40.7173.4-170.90000112.4T184 K185 R191 L192T184-S188 PolarHBondContact O-N 2.86Å; K185-S188 PolarHBondContact O-N 2.98Å; S188-R191 PolarHBondContact OG-NH2 3.43Å; S188-L192 VanDerWaalsContact O-CG 3.31Å; S188-L192 WeakPolarHBondContact O-CG 3.37Å; S188-L192 PolarHBondContact O-N 3.34Å
189I94.1Very high91.9Very high104 Ų10496.4 Ų96.453%0.53348%0.481SS..Hα-helixtrans-66.5-43.7177.3-70.4166.6000110.6K185 L186 E187 R191 L192 L193K185-I189 WeakPolarHBondContact O-CG1 3.35Å; K185-I189 PolarHBondContact O-N 2.77Å; L186-I189 PolarHBondContact O-N 3.21Å; E187-I189 VanDerWaalsContact C-N 3.33Å; E187-I189 PolarHBondContact O-N 2.9Å; I189-R191 VanDerWaalsContact C-N 3.34Å; I189-R191 PolarHBondContact O-N 2.97Å; I189-L192 PolarHBondContact O-N 2.91Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 3.22Å
190K90.4Very high91.7Very high111 Ų11193.8 Ų93.848%0.48348%0.475SS..Hα-helixtrans-57.9-46.3175.7-75.3173.6-178.5171.70111.8L186 E187 L193 Q194L186-K190 WeakPolarHBondContact O-CG 3.47Å; L186-K190 PolarHBondContact O-N 2.99Å; E187-K190 PolarHBondContact O-N 3.31Å; E187-K190 IonicContact OE2-NZ 2.75Å; K190-L193 PolarHBondContact O-N 3Å; K190-Q194 PolarHBondContact O-N 3.48Å
191R93Very high91.4Very high151 Ų15193 Ų9357%0.5747%0.472SS*.Hα-helixtrans-59.4-47.6176.5-175.4-176.765.3-134.4-6.7111.7E187 S188 I189 L193 Q194 E195E187-R191 PolarHBondContact O-N 3.19Å; S188-R191 PolarHBondContact OG-NH2 3.43Å; I189-R191 VanDerWaalsContact C-N 3.34Å; I189-R191 PolarHBondContact O-N 2.97Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.45Å; R191-Q194 PolarHBondContact O-N 3.44Å; R191-E195 WeakPolarHBondContact O-CB 3.26Å; R191-E195 PolarHBondContact O-N 3.44Å
192L93.7Very high91.4Very high94 Ų9494 Ų9449%0.49249%0.485SS..Hα-helixtrans-62.4-36.5177.9-74168000112.3S188 I189 A196S188-L192 VanDerWaalsContact O-CG 3.31Å; S188-L192 WeakPolarHBondContact O-CG 3.37Å; S188-L192 PolarHBondContact O-N 3.34Å; I189-L192 PolarHBondContact O-N 2.91Å; L192-A196 VanDerWaalsContact O-CB 3.27Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.03Å
193L89.1Confident91.2Very high112 Ų11290.9 Ų90.959%0.58648%0.478SS*.Hα-helixtrans-69.1-40.6177.9-172.8135000111.9I189 K190 R191 A196 Q197I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 3.22Å; K190-L193 PolarHBondContact O-N 3Å; R191-L193 VanDerWaalsContact C-N 3.29Å; R191-L193 PolarHBondContact O-N 3.45Å; L193-A196 PolarHBondContact O-N 3.38Å; L193-Q197 WeakPolarHBondContact O-CB 3.44Å; L193-Q197 PolarHBondContact O-N 3.39Å
194Q90.4Very high90.7Very high92 Ų9294.3 Ų94.343%0.4348%0.484SS..Hα-helixtrans-62.6-47.2174.5-177.761.434.100111.3K190 R191 A196 Q197 E198K190-Q194 PolarHBondContact O-N 3.48Å; R191-Q194 PolarHBondContact O-N 3.44Å; Q194-A196 PolarHBondContact O-N 2.9Å; Q194-Q197 WeakPolarHBondContact O-CB 3.49Å; Q194-Q197 PolarHBondContact O-N 3.16Å; Q194-E198 PolarHBondContact NE2-OE1 2.96Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.01Å
195E93.4Very high90.3Very high101 Ų10195.3 Ų95.347%0.47248%0.483SS..Hα-helixtrans-61-44.9177-177.8175.3-172.200111.7R191 Q197 E198 I199R191-E195 WeakPolarHBondContact O-CB 3.26Å; R191-E195 PolarHBondContact O-N 3.44Å; E195-Q197 VanDerWaalsContact C-N 3.31Å; E195-Q197 PolarHBondContact O-N 2.97Å; E195-E198 PolarHBondContact O-N 3.23Å; E195-I199 HydrophobicContact CG-CD1 3.95Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.5Å; E195-I199 PolarHBondContact O-N 2.87Å
196A92.2Very high90.1Very high58 Ų5892.4 Ų92.448%0.47948%0.481SS..Hα-helixtrans-63.7-35.3176.200000112.7L192 L193 Q194 S200L192-A196 VanDerWaalsContact O-CB 3.27Å; L192-A196 WeakPolarHBondContact O-CB 3.41Å; L192-A196 PolarHBondContact O-N 3.03Å; L193-A196 PolarHBondContact O-N 3.38Å; Q194-A196 PolarHBondContact O-N 2.9Å; A196-S200 WeakPolarHBondContact O-CB 3.49Å; A196-S200 PolarHBondContact O-N 2.98Å
197Q88.2Confident89.8Confident86 Ų8692.3 Ų92.340%0.40248%0.479SS..Hα-helixtrans-65-48.6174.9179.8179.4-19.900111.1L193 Q194 E195 I199 S200 E201L193-Q197 WeakPolarHBondContact O-CB 3.44Å; L193-Q197 PolarHBondContact O-N 3.39Å; Q194-Q197 WeakPolarHBondContact O-CB 3.49Å; Q194-Q197 PolarHBondContact O-N 3.16Å; E195-Q197 VanDerWaalsContact C-N 3.31Å; E195-Q197 PolarHBondContact O-N 2.97Å; Q197-I199 PolarHBondContact O-N 3.48Å; Q197-S200 WeakPolarHBondContact O-CB 3.34Å; Q197-S200 PolarHBondContact O-N 3.16Å; Q197-E201 HydrophobicContact CG-CG 4.47Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.43Å; Q197-E201 PolarHBondContact NE2-OE1 3.39Å; Q197-E201 WeakPolarHBondContact O-CG 3.43Å; Q197-E201 PolarHBondContact O-N 2.88Å
198E90.4Very high89.5Confident110 Ų11090.8 Ų90.851%0.51448%0.477SS..Hα-helixtrans-61-43.2178.8-71.5171.4-165.100111.9Q194 E195 E201 A202Q194-E198 PolarHBondContact NE2-OE1 2.96Å; Q194-E198 WeakPolarHBondContact O-CG 3.49Å; Q194-E198 PolarHBondContact O-N 3.01Å; E195-E198 PolarHBondContact O-N 3.23Å; E198-E201 PolarHBondContact O-N 3.46Å; E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 2.91Å
199I90.3Very high89.1Confident84 Ų8492 Ų9243%0.43148%0.481SS..Hα-helixtrans-64.1-41.7175.7-67.3167.4000110.9E195 Q197 A202 G203E195-I199 HydrophobicContact CG-CD1 3.95Å; E195-I199 VanDerWaalsContact O-CG1 3.29Å; E195-I199 WeakPolarHBondContact O-CG1 3.5Å; E195-I199 PolarHBondContact O-N 2.87Å; Q197-I199 PolarHBondContact O-N 3.48Å; I199-A202 PolarHBondContact O-N 2.94Å; I199-G203 PolarHBondContact O-N 2.9Å
200S87.6Confident88.9Confident58 Ų5892.7 Ų92.741%0.40648%0.482SS..Hα-helixtrans-60.8-52.6176.2179.40000111A196 Q197 A202 G203 W204A196-S200 WeakPolarHBondContact O-CB 3.49Å; A196-S200 PolarHBondContact O-N 2.98Å; Q197-S200 WeakPolarHBondContact O-CB 3.34Å; Q197-S200 PolarHBondContact O-N 3.16Å; S200-A202 VanDerWaalsContact C-N 3.33Å; S200-A202 PolarHBondContact O-N 3.39Å; S200-G203 CarbonylContact O-C 3.59Å; S200-G203 WeakPolarHBondContact O-CA 3.45Å; S200-G203 PolarHBondContact O-N 3.36Å; S200-W204 PolarHBondContact O-N 3.39Å; S200-W204 PolarHBondContact OG-NE1 3.37Å
201E85.7Confident88.5Confident109 Ų10991.4 Ų91.451%0.50948%0.48SS..Hα-helixtrans-57.8-43.7178.3-72.3176-166.600112Q197 E198 G203 W204 Q205Q197-E201 HydrophobicContact CG-CG 4.47Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.43Å; Q197-E201 PolarHBondContact NE2-OE1 3.39Å; Q197-E201 WeakPolarHBondContact O-CG 3.43Å; Q197-E201 PolarHBondContact O-N 2.88Å; E198-E201 PolarHBondContact O-N 3.46Å; E201-G203 VanDerWaalsContact C-N 3.32Å; E201-G203 PolarHBondContact O-N 2.85Å; E201-W204 PolarHBondContact O-N 2.92Å; E201-Q205 PolarHBondContact O-N 3.01Å
202A89.4Confident88.2Confident62 Ų6292.9 Ų92.951%0.51249%0.486SS..Hα-helixtrans-63.1-37.5173.800000112.4E198 I199 S200 Q205 A206E198-A202 WeakPolarHBondContact O-CB 3.46Å; E198-A202 PolarHBondContact O-N 2.91Å; I199-A202 PolarHBondContact O-N 2.94Å; S200-A202 VanDerWaalsContact C-N 3.33Å; S200-A202 PolarHBondContact O-N 3.39Å; A202-Q205 PolarHBondContact O-N 3.35Å; A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 3.17Å
203G88Confident88Confident41 Ų4193.6 Ų93.642%0.42349%0.489SS..Hα-helixtrans-63.6-43.9174.700000112.8I199 S200 E201 A206 M207I199-G203 PolarHBondContact O-N 2.9Å; S200-G203 CarbonylContact O-C 3.59Å; S200-G203 WeakPolarHBondContact O-CA 3.45Å; S200-G203 PolarHBondContact O-N 3.36Å; E201-G203 VanDerWaalsContact C-N 3.32Å; E201-G203 PolarHBondContact O-N 2.85Å; G203-A206 PolarHBondContact O-N 2.95Å; G203-M207 WeakPolarHBondContact O-CB 3.46Å; G203-M207 PolarHBondContact O-N 2.78Å
204W82.2Confident87.9Confident164 Ų16492.7 Ų92.762%0.62149%0.485SS*.Hα-helixtrans-62.2-44.1174-68.5106.1000111.6S200 E201 M207 V208S200-W204 PolarHBondContact O-N 3.39Å; S200-W204 PolarHBondContact OG-NE1 3.37Å; E201-W204 PolarHBondContact O-N 2.92Å; W204-M207 HydrophobicContact CD2-CE 4.44Å; W204-M207 HydrophobicContact CE3-CE 3.34Å; W204-M207 HydrophobicContact CZ3-CE 3.46Å; W204-M207 VanDerWaalsContact CZ3-CE 3.46Å; W204-M207 PolarHBondContact O-N 2.97Å; W204-V208 WeakPolarHBondContact O-CG2 3.48Å; W204-V208 PolarHBondContact O-N 3.35Å
205Q84.1Confident87.4Confident107 Ų10795.1 Ų95.150%0.550%0.496SS..Hα-helixtrans-63.2-44.3178.7-174.356.654.300111.8E201 A202 M207 V208 D209E201-Q205 PolarHBondContact O-N 3.01Å; A202-Q205 PolarHBondContact O-N 3.35Å; Q205-M207 VanDerWaalsContact C-N 3.32Å; Q205-M207 PolarHBondContact O-N 3.35Å; Q205-V208 PolarHBondContact O-N 3.09Å; Q205-D209 PolarHBondContact NE2-OD1 2.9Å; Q205-D209 PolarHBondContact NE2-OD2 3.04Å; Q205-D209 PolarHBondContact O-N 3.4Å
206A90.6Very high87Confident57 Ų5795.4 Ų95.447%0.47150%0.496SS..Hα-helixtrans-62.1-39.6176.900000112.4A202 G203 D209 E210A202-A206 WeakPolarHBondContact O-CB 3.48Å; A202-A206 PolarHBondContact O-N 3.17Å; G203-A206 PolarHBondContact O-N 2.95Å; A206-D209 PolarHBondContact O-N 2.8Å; A206-E210 PolarHBondContact O-N 3Å
207M88Confident86.3Confident82 Ų8297.9 Ų97.940%0.40450%0.5SS..Hα-helixtrans-64.5-41.7176.2-173.3175.965.900111.9G203 W204 Q205 D209 E210 D211G203-M207 WeakPolarHBondContact O-CB 3.46Å; G203-M207 PolarHBondContact O-N 2.78Å; W204-M207 HydrophobicContact CD2-CE 4.44Å; W204-M207 HydrophobicContact CE3-CE 3.34Å; W204-M207 HydrophobicContact CZ3-CE 3.46Å; W204-M207 VanDerWaalsContact CZ3-CE 3.46Å; W204-M207 PolarHBondContact O-N 2.97Å; Q205-M207 VanDerWaalsContact C-N 3.32Å; Q205-M207 PolarHBondContact O-N 3.35Å; M207-D209 VanDerWaalsContact C-N 3.31Å; M207-D209 PolarHBondContact O-N 3.49Å; M207-E210 PolarHBondContact O-N 3.05Å; M207-D211 PolarHBondContact O-N 3.21Å
208V85.1Confident86.1Confident81 Ų8197 Ų9749%0.49150%0.503SS..Hα-helixtrans-62.5-40.2174.6171.20000111.4W204 Q205 R212W204-V208 WeakPolarHBondContact O-CG2 3.48Å; W204-V208 PolarHBondContact O-N 3.35Å; Q205-V208 PolarHBondContact O-N 3.09Å; V208-R212 WeakPolarHBondContact O-CB 3.37Å; V208-R212 PolarHBondContact O-N 2.96Å; V208-R212 VanDerWaalsContact O-N 3.1Å
209D86.1Confident85.3Confident69 Ų6996 Ų9637%0.36950%0.501SS..Hα-helixtrans-68.8-36.1177.9-68.9-33.6000112.1Q205 A206 M207 L213Q205-D209 PolarHBondContact NE2-OD1 2.9Å; Q205-D209 PolarHBondContact NE2-OD2 3.04Å; Q205-D209 PolarHBondContact O-N 3.4Å; A206-D209 PolarHBondContact O-N 2.8Å; M207-D209 VanDerWaalsContact C-N 3.31Å; M207-D209 PolarHBondContact O-N 3.49Å; D209-L213 WeakPolarHBondContact O-CD1 3.33Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.38Å; D209-L213 PolarHBondContact O-N 3.08Å
210E88.3Confident84.6Confident117 Ų11797.2 Ų97.255%0.54750%0.501SS..Hα-helixtrans-61.8-50.7172.5-176.7-179.4176.200111.4A206 M207 R212 L213 L214A206-E210 PolarHBondContact O-N 3Å; M207-E210 PolarHBondContact O-N 3.05Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 PolarHBondContact O-N 3.37Å; E210-L213 WeakPolarHBondContact O-CA 3.26Å; E210-L213 WeakPolarHBondContact O-CB 3.45Å; E210-L213 PolarHBondContact O-N 3.48Å; E210-L214 HydrophobicContact CG-CD1 4.18Å; E210-L214 HydrophobicContact CG-CG 4.46Å; E210-L214 WeakPolarHBondContact O-CG 3.36Å; E210-L214 PolarHBondContact O-N 3.36Å
211D83.6Confident84.2Confident85 Ų85101.3 Ų101.346%0.45551%0.514SS..Hα-helixtrans-56.9-44.2178.2-77.2-17.2000111.2M207 L213 L214 E215M207-D211 PolarHBondContact O-N 3.21Å; D211-L213 VanDerWaalsContact C-N 3.31Å; D211-L213 PolarHBondContact O-N 2.99Å; D211-L214 WeakPolarHBondContact O-CB 3.38Å; D211-L214 PolarHBondContact O-N 3.38Å; D211-E215 WeakPolarHBondContact O-CG 3.26Å; D211-E215 PolarHBondContact O-N 2.92Å
212R85.8Confident83.7Confident182 Ų18299.8 Ų99.869%0.68751%0.512SS*.Hα-helixtrans-62-37.3176.5-175.4-179177.9-169.80.5112.7V208 E210 K216V208-R212 WeakPolarHBondContact O-CB 3.37Å; V208-R212 PolarHBondContact O-N 2.96Å; V208-R212 VanDerWaalsContact O-N 3.1Å; E210-R212 VanDerWaalsContact C-N 3.29Å; E210-R212 PolarHBondContact O-N 3.37Å; R212-K216 WeakPolarHBondContact O-CB 3.32Å; R212-K216 PolarHBondContact O-N 2.96Å
213L88.7Confident83Confident108 Ų108101.5 Ų101.557%0.56551%0.51SS*.Hα-helixtrans-69.1-40.3175.9-74.5164000111.1D209 E210 D211 K216 L217D209-L213 WeakPolarHBondContact O-CD1 3.33Å; D209-L213 VanDerWaalsContact O-CG 3.26Å; D209-L213 WeakPolarHBondContact O-CG 3.38Å; D209-L213 PolarHBondContact O-N 3.08Å; E210-L213 WeakPolarHBondContact O-CA 3.26Å; E210-L213 WeakPolarHBondContact O-CB 3.45Å; E210-L213 PolarHBondContact O-N 3.48Å; D211-L213 VanDerWaalsContact C-N 3.31Å; D211-L213 PolarHBondContact O-N 2.99Å; L213-K216 PolarHBondContact O-N 3.22Å; L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.9Å
214L86.8Confident82Confident94 Ų94104.4 Ų104.449%0.49252%0.515SS..Hα-helixtrans-62.2-45176.2-69.9172.3000111.5E210 D211 K216 L217 S218E210-L214 HydrophobicContact CG-CD1 4.18Å; E210-L214 HydrophobicContact CG-CG 4.46Å; E210-L214 WeakPolarHBondContact O-CG 3.36Å; E210-L214 PolarHBondContact O-N 3.36Å; D211-L214 WeakPolarHBondContact O-CB 3.38Å; D211-L214 PolarHBondContact O-N 3.38Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.92Å; L214-L217 PolarHBondContact O-N 3.37Å; L214-S218 WeakPolarHBondContact O-CB 3.45Å; L214-S218 PolarHBondContact O-N 3.39Å
215E80.4Confident81.6Confident142 Ų142100.1 Ų100.166%0.66451%0.51SS*.Hα-helixtrans-59.2-43.1174.7-72.5178.8178.500111.8D211 S218 L219D211-E215 WeakPolarHBondContact O-CG 3.26Å; D211-E215 PolarHBondContact O-N 2.92Å; E215-S218 PolarHBondContact O-N 3.43Å; E215-L219 PolarHBondContact O-N 3.35Å
216K85.1Confident80.6Confident108 Ų10898.5 Ų98.547%0.4750%0.504SS..Hα-helixtrans-67.6-37.4177.9-170.4177.3-179.7-173.90112.5R212 L213 L214 L219 Y220R212-K216 WeakPolarHBondContact O-CB 3.32Å; R212-K216 PolarHBondContact O-N 2.96Å; L213-K216 PolarHBondContact O-N 3.22Å; L214-K216 VanDerWaalsContact C-N 3.31Å; L214-K216 PolarHBondContact O-N 2.92Å; K216-L219 WeakPolarHBondContact O-CB 3.42Å; K216-L219 PolarHBondContact O-N 3.47Å; K216-Y220 HydrophobicContact CD-CE2 4.17Å; K216-Y220 WeakPolarHBondContact CE-OH 3.46Å; K216-Y220 HydrophobicContact CG-CD2 4.25Å; K216-Y220 HydrophobicContact CG-CE2 3.79Å; K216-Y220 WeakPolarHBondContact O-CD2 3.4Å; K216-Y220 PolarHBondContact O-N 3.41Å; K216-Y220 VanDerWaalsContact O-N 3.07Å
217L77.9Confident79.2Confident109 Ų109102.7 Ų102.757%0.57152%0.518SS*.Hα-helixtrans-65.4-43.8174.5-77.7171.7000111.2L213 L214 L219 Y220 E221L213-L217 WeakPolarHBondContact O-CB 3.49Å; L213-L217 WeakPolarHBondContact O-CG 3.38Å; L213-L217 PolarHBondContact O-N 2.9Å; L214-L217 PolarHBondContact O-N 3.37Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 3.23Å; L217-Y220 PolarHBondContact O-N 3.1Å; L217-E221 WeakPolarHBondContact O-CB 3.38Å; L217-E221 PolarHBondContact O-N 3.05Å
218S84Confident78.1Confident67 Ų67107.2 Ų107.247%0.46954%0.535SS..Hα-helixtrans-57.2-44.7174.4179.50000111.1L214 E215 Y220 E221 T222L214-S218 WeakPolarHBondContact O-CB 3.45Å; L214-S218 PolarHBondContact O-N 3.39Å; E215-S218 PolarHBondContact O-N 3.43Å; S218-Y220 PolarHBondContact O-N 3.32Å; S218-E221 PolarHBondContact O-N 3.12Å; S218-T222 PolarHBondContact O-N 2.97Å; S218-T222 PolarHBondContact O-OG1 3.36Å; S218-T222 VanDerWaalsContact O-OG1 3.08Å
219L74.2Confident77.1Confident90 Ų90108 Ų10847%0.47153%0.534SS..Hα-helixtrans-58.2-47.9174.8175.765.7000112.5E215 K216 L217 E221 T222 Q223E215-L219 PolarHBondContact O-N 3.35Å; K216-L219 WeakPolarHBondContact O-CB 3.42Å; K216-L219 PolarHBondContact O-N 3.47Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 3.23Å; L219-E221 VanDerWaalsContact C-N 3.34Å; L219-T222 PolarHBondContact O-N 3.19Å; L219-Q223 HydrophobicContact CD1-CG 4.4Å; L219-Q223 WeakPolarHBondContact O-CG 3.35Å; L219-Q223 PolarHBondContact O-N 3.31Å
220Y75.7Confident75.8Confident109 Ų109112.5 Ų112.543%0.42756%0.558SS.*Hα-helixtrans-65.9-36.9178.9-71-38.2000112.5K216 L217 S218 Q223 L224K216-Y220 HydrophobicContact CD-CE2 4.17Å; K216-Y220 WeakPolarHBondContact CE-OH 3.46Å; K216-Y220 HydrophobicContact CG-CD2 4.25Å; K216-Y220 HydrophobicContact CG-CE2 3.79Å; K216-Y220 WeakPolarHBondContact O-CD2 3.4Å; K216-Y220 PolarHBondContact O-N 3.41Å; K216-Y220 VanDerWaalsContact O-N 3.07Å; L217-Y220 PolarHBondContact O-N 3.1Å; S218-Y220 PolarHBondContact O-N 3.32Å; Y220-Q223 PolarHBondContact O-N 3.2Å; Y220-L224 WeakPolarHBondContact O-CB 3.46Å; Y220-L224 WeakPolarHBondContact O-CD1 3.43Å; Y220-L224 VanDerWaalsContact O-CG 3.24Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 2.94Å
221E79.5Confident74.5Confident145 Ų145109.1 Ų109.168%0.67854%0.543SS*.Hα-helixtrans-61.9-44.5174.5-173172.8-168.500111.3L217 S218 L219 L224 S225L217-E221 WeakPolarHBondContact O-CB 3.38Å; L217-E221 PolarHBondContact O-N 3.05Å; S218-E221 PolarHBondContact O-N 3.12Å; L219-E221 VanDerWaalsContact C-N 3.34Å; E221-L224 PolarHBondContact O-N 3.33Å; E221-S225 WeakPolarHBondContact O-CB 3.4Å; E221-S225 PolarHBondContact O-N 2.94Å
222T73.5Confident73.5Confident76 Ų76109.2 Ų109.247%0.46655%0.549SS..Hα-helixtrans-62.6-45.3174.9-54.50000112S218 L219 L224 S225 L226S218-T222 PolarHBondContact O-N 2.97Å; S218-T222 PolarHBondContact O-OG1 3.36Å; S218-T222 VanDerWaalsContact O-OG1 3.08Å; L219-T222 PolarHBondContact O-N 3.19Å; T222-L224 PolarHBondContact O-N 2.9Å; T222-S225 WeakPolarHBondContact O-CB 3.44Å; T222-S225 PolarHBondContact O-N 3.5Å; T222-L226 HydrophobicContact CG2-CD1 4.28Å; T222-L226 WeakPolarHBondContact O-CG 3.45Å; T222-L226 PolarHBondContact O-N 3.44Å
223Q74.7Confident72.3Confident99 Ų99108.6 Ų108.646%0.46355%0.554SS.*Hα-helixtrans-62.1-42.5177.8-73.6178.3-8.900112.2L219 Y220 S225 L226 L227L219-Q223 HydrophobicContact CD1-CG 4.4Å; L219-Q223 WeakPolarHBondContact O-CG 3.35Å; L219-Q223 PolarHBondContact O-N 3.31Å; Y220-Q223 PolarHBondContact O-N 3.2Å; Q223-S225 VanDerWaalsContact C-N 3.32Å; Q223-L226 PolarHBondContact O-N 3.44Å; Q223-L227 PolarHBondContact O-N 2.9Å
224L67.5Low70.7Confident102 Ų102109.7 Ų109.753%0.53456%0.56SS.*Hα-helixtrans-64.8-37.3175.8-75.8166.9000111.8Y220 E221 T222 K228Y220-L224 WeakPolarHBondContact O-CB 3.46Å; Y220-L224 WeakPolarHBondContact O-CD1 3.43Å; Y220-L224 VanDerWaalsContact O-CG 3.24Å; Y220-L224 WeakPolarHBondContact O-CG 3.49Å; Y220-L224 PolarHBondContact O-N 2.94Å; E221-L224 PolarHBondContact O-N 3.33Å; T222-L224 PolarHBondContact O-N 2.9Å; L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.48Å; L224-K228 PolarHBondContact O-N 2.87Å
225S73.9Confident69.7Low74 Ų74106.4 Ų106.452%0.51755%0.545SS..Hα-helixtrans-62.9-46.3174.7-172.40000111.5E221 T222 Q223 L227 K228 Q229E221-S225 WeakPolarHBondContact O-CB 3.4Å; E221-S225 PolarHBondContact O-N 2.94Å; T222-S225 WeakPolarHBondContact O-CB 3.44Å; T222-S225 PolarHBondContact O-N 3.5Å; Q223-S225 VanDerWaalsContact C-N 3.32Å; S225-L227 PolarHBondContact O-N 3.41Å; S225-K228 PolarHBondContact O-N 3.37Å; S225-Q229 PolarHBondContact O-N 2.83Å
226L63Low69Low72 Ų72104.7 Ų104.738%0.37754%0.54SS..Hα-helixtrans-63.2-40.9177.5-72168.4000112.3T222 Q223 K228 Q229 L231T222-L226 HydrophobicContact CG2-CD1 4.28Å; T222-L226 WeakPolarHBondContact O-CG 3.45Å; T222-L226 PolarHBondContact O-N 3.44Å; Q223-L226 PolarHBondContact O-N 3.44Å; L226-K228 VanDerWaalsContact C-N 3.26Å; L226-K228 PolarHBondContact O-N 3.4Å; L226-Q229 PolarHBondContact O-N 3.4Å; L226-Q229 VanDerWaalsContact O-N 3.16Å; L226-L231 HydrophobicContact CD2-CD1 4.44Å
227L61Low67.8Low146 Ų146105.9 Ų105.976%0.76455%0.547SS*.Hα-helixtrans-66.5-28178.1-175.462.2000112.8Q223 S225 Q229Q223-L227 PolarHBondContact O-N 2.9Å; S225-L227 PolarHBondContact O-N 3.41Å; L227-Q229 VanDerWaalsContact C-N 3.3Å
228K65.9Low67.5Low177 Ų177104.3 Ų104.377%0.7755%0.545SS*.Hα-helixtrans-76.4-18.2175.5-74.9175.1-178.4179.20113.2L224 S225 L226L224-K228 VanDerWaalsContact O-CG 3.31Å; L224-K228 WeakPolarHBondContact O-CG 3.48Å; L224-K228 PolarHBondContact O-N 2.87Å; S225-K228 PolarHBondContact O-N 3.37Å; L226-K228 VanDerWaalsContact C-N 3.26Å; L226-K228 PolarHBondContact O-N 3.4Å
229Q64.4Low66.9Low97 Ų97103.9 Ų103.945%0.45354%0.535SS..SBendtrans-92.4107.9-179.5-162.1179.16.300108.7S225 L226 L227 L231S225-Q229 PolarHBondContact O-N 2.83Å; L226-Q229 PolarHBondContact O-N 3.4Å; L226-Q229 VanDerWaalsContact O-N 3.16Å; L227-Q229 VanDerWaalsContact C-N 3.3Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; Q229-L231 HydrophobicContact CB-CD1 4.26Å; Q229-L231 HydrophobicContact CB-CG 4.11Å; Q229-L231 HydrophobicContact CG-CD1 4.4Å; Q229-L231 HydrophobicContact CG-CD2 3.99Å; Q229-L231 HydrophobicContact CG-CG 3.88Å; Q229-L231 WeakPolarHBondContact O-CG 3.39Å; Q229-L231 PolarHBondContact O-N 3.48Å
230D57.8Low66.6Low163 Ų163104.7 Ų104.787%0.87254%0.54SS*.  trans-65.493.3172.3-73.4-43.6000109.4
231L61.1Low66.3Low46 Ų46105.3 Ų105.324%0.24155%0.548CS..  trans-97.7128.2-173.1-77.5164.1000110.6L226 Q229 S235 H239L226-L231 HydrophobicContact CD2-CD1 4.44Å; Q229-L231 VanDerWaalsContact C-N 3.34Å; Q229-L231 HydrophobicContact CB-CD1 4.26Å; Q229-L231 HydrophobicContact CB-CG 4.11Å; Q229-L231 HydrophobicContact CG-CD1 4.4Å; Q229-L231 HydrophobicContact CG-CD2 3.99Å; Q229-L231 HydrophobicContact CG-CG 3.88Å; Q229-L231 WeakPolarHBondContact O-CG 3.39Å; Q229-L231 PolarHBondContact O-N 3.48Å; L231-S235 VanDerWaalsContact CB-OG 3.29Å; L231-S235 WeakPolarHBondContact CB-OG 3.41Å; L231-S235 WeakPolarHBondContact CD2-OG 3.47Å; L231-H239 VanDerWaalsContact CD2-CE1 3.47Å; L231-H239 WeakPolarHBondContact CD2-CE1 3.29Å
232P63.7Low66.4Low88 Ų88103.3 Ų103.357%0.57154%0.538SS*.  trans-60.1151.1165.923-32000111.4N234 S235 L236P232-N234 PolarHBondContact O-N 3.28Å; P232-S235 WeakPolarHBondContact CD-OG 3.4Å; P232-S235 WeakPolarHBondContact CG-OG 3.22Å; P232-S235 PolarHBondContact O-N 2.92Å; P232-S235 PolarHBondContact O-OG 3.23Å; P232-L236 PolarHBondContact O-N 2.85Å; P232-L236 VanDerWaalsContact O-N 3.09Å
233E59.5Low66.6Low169 Ų169102 Ų10279%0.7954%0.536SS*.Hα-helixtrans-52.3-33.9-178.5-78.7-179150.100113.6L236 Q237E233-L236 WeakPolarHBondContact O-CB 3.35Å; E233-L236 PolarHBondContact O-N 2.89Å; E233-Q237 PolarHBondContact O-N 3.44Å; E233-Q237 VanDerWaalsContact O-N 3.1Å
234N56.1Low66.4Low131 Ų131101.8 Ų101.870%0.70154%0.537SS*.Hα-helixtrans-67.9-34.5176.9-67.9-23.3000112.9P232 S238P232-N234 PolarHBondContact O-N 3.28Å; N234-S238 PolarHBondContact O-N 3.03Å
235S65.6Low66.8Low24 Ų24101.9 Ų101.917%0.16854%0.535CS..Hα-helixtrans-74.2-33.1173.362.30000110.6L231 P232 Q237 S238 H239L231-S235 VanDerWaalsContact CB-OG 3.29Å; L231-S235 WeakPolarHBondContact CB-OG 3.41Å; L231-S235 WeakPolarHBondContact CD2-OG 3.47Å; P232-S235 WeakPolarHBondContact CD-OG 3.4Å; P232-S235 WeakPolarHBondContact CG-OG 3.22Å; P232-S235 PolarHBondContact O-N 2.92Å; P232-S235 PolarHBondContact O-OG 3.23Å; S235-Q237 VanDerWaalsContact C-N 3.34Å; S235-Q237 PolarHBondContact O-N 3.04Å; S235-S238 WeakPolarHBondContact O-CB 3.42Å; S235-S238 PolarHBondContact O-N 3.43Å; S235-S238 VanDerWaalsContact O-N 3.17Å; S235-H239 PolarHBondContact O-N 2.83Å; S235-H239 PolarHBondContact O-ND1 2.85Å
236L64.4Low67.2Low107 Ų107103.3 Ų103.356%0.5653%0.533SS*.Hα-helixtrans-58.7-44.3173.4-175.266.3000111.8P232 E233 S238 H239 L240P232-L236 PolarHBondContact O-N 2.85Å; P232-L236 VanDerWaalsContact O-N 3.09Å; E233-L236 WeakPolarHBondContact O-CB 3.35Å; E233-L236 PolarHBondContact O-N 2.89Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 3.4Å; L236-H239 PolarHBondContact O-N 3.41Å; L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 3.01Å
237Q61.4Low68Low133 Ų133106.2 Ų106.262%0.62154%0.543SS*.Hα-helixtrans-61.1-40.7175.4-173.3179.5100112.1E233 S235 L240 M241E233-Q237 PolarHBondContact O-N 3.44Å; E233-Q237 VanDerWaalsContact O-N 3.1Å; S235-Q237 VanDerWaalsContact C-N 3.34Å; S235-Q237 PolarHBondContact O-N 3.04Å; Q237-L240 PolarHBondContact O-N 3.18Å; Q237-M241 PolarHBondContact O-N 3.41Å
238S70.1Confident68.6Low76 Ų76104.8 Ų104.853%0.53153%0.531SS..Hα-helixtrans-65.5-42.6175.9-1700000112.4N234 S235 L236 M241 Q242N234-S238 PolarHBondContact O-N 3.03Å; S235-S238 WeakPolarHBondContact O-CB 3.42Å; S235-S238 PolarHBondContact O-N 3.43Å; S235-S238 VanDerWaalsContact O-N 3.17Å; L236-S238 VanDerWaalsContact C-N 3.32Å; L236-S238 PolarHBondContact O-N 3.4Å; S238-M241 PolarHBondContact O-N 3.35Å; S238-Q242 PolarHBondContact O-N 3.43Å
239H71.1Confident69.5Low57 Ų5799.9 Ų99.926%0.26451%0.513SS..Hα-helixtrans-66.8-38.3177.3-73.383.3000111.4L231 S235 L236 Q242 A243L231-H239 VanDerWaalsContact CD2-CE1 3.47Å; L231-H239 WeakPolarHBondContact CD2-CE1 3.29Å; S235-H239 PolarHBondContact O-N 2.83Å; S235-H239 PolarHBondContact O-ND1 2.85Å; L236-H239 PolarHBondContact O-N 3.41Å; H239-Q242 PolarHBondContact O-N 3Å; H239-A243 VanDerWaalsContact O-CB 3.31Å; H239-A243 WeakPolarHBondContact O-CB 3.37Å; H239-A243 PolarHBondContact O-N 3.4Å
240L69.1Low70.2Confident108 Ų108100.8 Ų100.857%0.56552%0.52SS*.Hα-helixtrans-62.6-44.2173.5-179.263000111.3L236 Q237 A243 L244L236-L240 WeakPolarHBondContact O-CB 3.42Å; L236-L240 PolarHBondContact O-N 3.01Å; Q237-L240 PolarHBondContact O-N 3.18Å; L240-A243 PolarHBondContact O-N 3.13Å; L240-L244 HydrophobicContact CD1-CG 4.47Å; L240-L244 HydrophobicContact CG-CD1 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.34Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3Å
241M69.8Low71.2Confident121 Ų12199 Ų9960%0.59651%0.507SS*.Hα-helixtrans-61.3-44.6176.2-171.468.873.400111.6Q237 S238 L244 E245Q237-M241 PolarHBondContact O-N 3.41Å; S238-M241 PolarHBondContact O-N 3.35Å; M241-L244 PolarHBondContact O-N 3.31Å; M241-E245 PolarHBondContact O-N 3.07Å
242Q80.5Confident72.2Confident103 Ų103102.5 Ų102.548%0.48152%0.52SS..Hα-helixtrans-63-44.8176.2-177.5-179.4-9.300111.8S238 H239 L244 E245 E246S238-Q242 PolarHBondContact O-N 3.43Å; H239-Q242 PolarHBondContact O-N 3Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; Q242-E245 PolarHBondContact O-N 3.43Å; Q242-E246 HydrophobicContact CG-CG 4.45Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.49Å; Q242-E246 PolarHBondContact NE2-OE1 3.17Å; Q242-E246 WeakPolarHBondContact O-CG 3.27Å; Q242-E246 PolarHBondContact O-N 3.28Å
243A77.3Confident73.4Confident50 Ų50100.9 Ų100.941%0.41351%0.514SS..Hα-helixtrans-63.5-35.3177.900000112.2H239 L240 K247H239-A243 VanDerWaalsContact O-CB 3.31Å; H239-A243 WeakPolarHBondContact O-CB 3.37Å; H239-A243 PolarHBondContact O-N 3.4Å; L240-A243 PolarHBondContact O-N 3.13Å; A243-K247 WeakPolarHBondContact O-CB 3.38Å; A243-K247 PolarHBondContact O-N 3.06Å
244L70.9Confident74.4Confident94 Ų9496.4 Ų96.449%0.49250%0.502SS..Hα-helixtrans-67.1-40.4173.3-72.3172.9000112L240 M241 Q242 F248L240-L244 HydrophobicContact CD1-CG 4.47Å; L240-L244 HydrophobicContact CG-CD1 4.29Å; L240-L244 WeakPolarHBondContact O-CB 3.34Å; L240-L244 VanDerWaalsContact O-CG 3.26Å; L240-L244 WeakPolarHBondContact O-CG 3.42Å; L240-L244 PolarHBondContact O-N 3Å; M241-L244 PolarHBondContact O-N 3.31Å; Q242-L244 VanDerWaalsContact C-N 3.29Å; Q242-L244 PolarHBondContact O-N 3.25Å; L244-F248 WeakPolarHBondContact O-CB 3.31Å; L244-F248 PolarHBondContact O-N 2.87Å
245E76.2Confident75.7Confident104 Ų10496.6 Ų96.649%0.48650%0.496SS..Hα-helixtrans-66.7-44.3175.4-178.959.2-148.300111.7M241 Q242 F248 N249M241-E245 PolarHBondContact O-N 3.07Å; Q242-E245 PolarHBondContact O-N 3.43Å; E245-F248 PolarHBondContact O-N 3.01Å; E245-N249 WeakPolarHBondContact O-CB 3.29Å; E245-N249 PolarHBondContact O-N 3.28Å; E245-N249 PolarHBondContact O-ND2 3.41Å; E245-N249 PolarHBondContact OE1-ND2 3.4Å
246E82.8Confident76.8Confident103 Ų103100.2 Ų100.248%0.48151%0.512SS..Hα-helixtrans-62.5-44.3174.7-74.2174.2-168.600111.3Q242 F248 N249 L250Q242-E246 HydrophobicContact CG-CG 4.45Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.49Å; Q242-E246 PolarHBondContact NE2-OE1 3.17Å; Q242-E246 WeakPolarHBondContact O-CG 3.27Å; Q242-E246 PolarHBondContact O-N 3.28Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 3.39Å; E246-N249 PolarHBondContact O-N 2.87Å; E246-L250 WeakPolarHBondContact O-CB 3.38Å; E246-L250 WeakPolarHBondContact O-CG 3.34Å; E246-L250 PolarHBondContact O-N 3.08Å
247K79.3Confident77.9Confident133 Ų133101 Ų10158%0.57852%0.515SS*.Hα-helixtrans-57.3-46.9173.3179.2-172.3171.9-171.60111.3A243 N249 L250 E251A243-K247 WeakPolarHBondContact O-CB 3.38Å; A243-K247 PolarHBondContact O-N 3.06Å; K247-N249 VanDerWaalsContact C-N 3.34Å; K247-N249 PolarHBondContact O-N 3.46Å; K247-L250 PolarHBondContact O-N 2.98Å; K247-E251 WeakPolarHBondContact O-CB 3.42Å; K247-E251 PolarHBondContact O-N 3.19Å
248F72.9Confident79.1Confident117 Ų11799.9 Ų99.951%0.51351%0.513SS..Hα-helixtrans-61.2-42.7177.8175-101.2000111.8L244 E245 E246 E251 K252L244-F248 WeakPolarHBondContact O-CB 3.31Å; L244-F248 PolarHBondContact O-N 2.87Å; E245-F248 PolarHBondContact O-N 3.01Å; E246-F248 VanDerWaalsContact C-N 3.34Å; E246-F248 PolarHBondContact O-N 3.39Å; F248-E251 PolarHBondContact O-N 2.93Å; F248-K252 WeakPolarHBondContact O-CB 3.49Å; F248-K252 PolarHBondContact O-N 3.39Å
249N84.4Confident79.9Confident73 Ų73100.8 Ų100.839%0.3951%0.509SS..Hα-helixtrans-66.7-40.7177.3-74.5-48.8000112.5E245 E246 K247 K252 A253E245-N249 WeakPolarHBondContact O-CB 3.29Å; E245-N249 PolarHBondContact O-N 3.28Å; E245-N249 PolarHBondContact O-ND2 3.41Å; E245-N249 PolarHBondContact OE1-ND2 3.4Å; E246-N249 PolarHBondContact O-N 2.87Å; K247-N249 VanDerWaalsContact C-N 3.34Å; K247-N249 PolarHBondContact O-N 3.46Å; N249-K252 PolarHBondContact O-N 3.09Å; N249-A253 WeakPolarHBondContact O-CB 3.49Å; N249-A253 PolarHBondContact O-N 3.18Å
250L80.4Confident80.8Confident117 Ų117106 Ų10661%0.61353%0.526SS*.Hα-helixtrans-65.1-41.4174-73.5175.8000111.8E246 K247 K252 A253 S254E246-L250 WeakPolarHBondContact O-CB 3.38Å; E246-L250 WeakPolarHBondContact O-CG 3.34Å; E246-L250 PolarHBondContact O-N 3.08Å; K247-L250 PolarHBondContact O-N 2.98Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 2.78Å; L250-A253 PolarHBondContact O-N 2.89Å; L250-S254 VanDerWaalsContact O-CB 3.26Å; L250-S254 WeakPolarHBondContact O-CB 3.49Å; L250-S254 PolarHBondContact O-N 3.28Å; L250-S254 PolarHBondContact O-OG 3.5Å
251E78.2Confident81.8Confident126 Ų126105.2 Ų105.259%0.58952%0.522SS*.Hα-helixtrans-61.7-43.9175.2-175.8176.9173.800111K247 F248 S254 K255K247-E251 WeakPolarHBondContact O-CB 3.42Å; K247-E251 PolarHBondContact O-N 3.19Å; F248-E251 PolarHBondContact O-N 2.93Å; E251-S254 PolarHBondContact O-N 3.47Å; E251-K255 WeakPolarHBondContact O-CB 3.46Å; E251-K255 PolarHBondContact O-N 3.48Å
252K83.2Confident82.7Confident118 Ų118104 Ų10451%0.51352%0.517SS..Hα-helixtrans-63.6-45.2175.5-173.6179.9179.1-1770112.2F248 N249 L250 S254 K255 I256F248-K252 WeakPolarHBondContact O-CB 3.49Å; F248-K252 PolarHBondContact O-N 3.39Å; N249-K252 PolarHBondContact O-N 3.09Å; L250-K252 VanDerWaalsContact C-N 3.34Å; L250-K252 PolarHBondContact O-N 2.78Å; K252-S254 VanDerWaalsContact C-N 3.35Å; K252-K255 PolarHBondContact O-N 2.85Å; K252-I256 HydrophobicContact CG-CD1 4.25Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 2.81Å
253A87.5Confident83.2Confident55 Ų55104.8 Ų104.846%0.45553%0.525SS..Hα-helixtrans-62.7-42.5176.700000111.5N249 L250 K255 I256 M257N249-A253 WeakPolarHBondContact O-CB 3.49Å; N249-A253 PolarHBondContact O-N 3.18Å; L250-A253 PolarHBondContact O-N 2.89Å; A253-K255 PolarHBondContact O-N 3.3Å; A253-I256 PolarHBondContact O-N 3.49Å; A253-M257 WeakPolarHBondContact O-CB 3.37Å; A253-M257 PolarHBondContact O-N 3.43Å
254S81.8Confident83.8Confident75 Ų75106 Ų10652%0.52452%0.522SS..Hα-helixtrans-61.8-43.6176.2-590000111.3L250 E251 K252 M257 L258L250-S254 VanDerWaalsContact O-CB 3.26Å; L250-S254 WeakPolarHBondContact O-CB 3.49Å; L250-S254 PolarHBondContact O-N 3.28Å; L250-S254 PolarHBondContact O-OG 3.5Å; E251-S254 PolarHBondContact O-N 3.47Å; K252-S254 VanDerWaalsContact C-N 3.35Å; S254-M257 PolarHBondContact O-N 2.85Å; S254-L258 WeakPolarHBondContact O-CB 3.44Å; S254-L258 PolarHBondContact O-N 3.37Å
255K83.1Confident84.8Confident135 Ų135108.6 Ų108.659%0.58753%0.529SS*.Hα-helixtrans-59.5-47.4175.1-178.5-179.8173.1-178.30111.8E251 K252 A253 M257 L258 E259E251-K255 WeakPolarHBondContact O-CB 3.46Å; E251-K255 PolarHBondContact O-N 3.48Å; K252-K255 PolarHBondContact O-N 2.85Å; A253-K255 PolarHBondContact O-N 3.3Å; K255-M257 VanDerWaalsContact C-N 3.32Å; K255-M257 PolarHBondContact O-N 2.71Å; K255-L258 PolarHBondContact O-N 3.3Å; K255-E259 WeakPolarHBondContact CE-OE1 3.34Å; K255-E259 WeakPolarHBondContact O-CG 3.32Å; K255-E259 PolarHBondContact O-N 3.36Å
256I88.5Confident85.4Confident99 Ų99106.5 Ų106.551%0.50853%0.53SS..Hα-helixtrans-61.4-42.2177.9-67.7165.3000110.8K252 A253 E259 R260K252-I256 HydrophobicContact CG-CD1 4.25Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 2.81Å; A253-I256 PolarHBondContact O-N 3.49Å; I256-E259 PolarHBondContact O-N 2.86Å; I256-R260 PolarHBondContact O-N 2.95Å
257M87.7Confident85.8Confident124 Ų124106.6 Ų106.661%0.61153%0.53SS*.Hα-helixtrans-65.5-40.9177.3-173168.9-177.100111.9A253 S254 K255 R260 L261A253-M257 WeakPolarHBondContact O-CB 3.37Å; A253-M257 PolarHBondContact O-N 3.43Å; S254-M257 PolarHBondContact O-N 2.85Å; K255-M257 VanDerWaalsContact C-N 3.32Å; K255-M257 PolarHBondContact O-N 2.71Å; M257-R260 WeakPolarHBondContact O-CB 3.49Å; M257-R260 PolarHBondContact O-N 2.92Å; M257-L261 HydrophobicContact CG-CD1 4.42Å; M257-L261 WeakPolarHBondContact O-CG 3.31Å; M257-L261 PolarHBondContact O-N 3.06Å
258L85.5Confident86.4Confident110 Ų110104.8 Ų104.858%0.57653%0.53SS*.Hα-helixtrans-63.8-42.4177-148.690.7000111.5S254 K255 R260 L261 L262S254-L258 WeakPolarHBondContact O-CB 3.44Å; S254-L258 PolarHBondContact O-N 3.37Å; K255-L258 PolarHBondContact O-N 3.3Å; L258-R260 VanDerWaalsContact C-N 3.34Å; L258-L261 PolarHBondContact O-N 3.44Å; L258-L262 WeakPolarHBondContact O-CB 3.33Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.18Å
259E88.6Confident87.3Confident95 Ų95105.6 Ų105.644%0.44453%0.534SS..Hα-helixtrans-61.4-42.1174.5-74.8173.3-175.700111.4K255 I256 L262 N263K255-E259 WeakPolarHBondContact CE-OE1 3.34Å; K255-E259 WeakPolarHBondContact O-CG 3.32Å; K255-E259 PolarHBondContact O-N 3.36Å; I256-E259 PolarHBondContact O-N 2.86Å; E259-L262 PolarHBondContact O-N 2.99Å; E259-N263 PolarHBondContact O-N 3.06Å; E259-N263 PolarHBondContact O-ND2 3.45Å
260R89.9Confident87.6Confident166 Ų166105 Ų10563%0.62654%0.535SS*.Hα-helixtrans-61.2-48.5174.1-179.9-179.8173.1156.11.9112I256 M257 L258 L262 N263 E264I256-R260 PolarHBondContact O-N 2.95Å; M257-R260 WeakPolarHBondContact O-CB 3.49Å; M257-R260 PolarHBondContact O-N 2.92Å; L258-R260 VanDerWaalsContact C-N 3.34Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.3Å; R260-N263 PolarHBondContact O-N 3.42Å; R260-E264 IonicContact CZ-OE1 2.82Å; R260-E264 IonicContact NE-OE1 3.22Å; R260-E264 PolarHBondContact NE-OE1 2.93Å; R260-E264 IonicContact NH2-OE1 3.74Å; R260-E264 PolarHBondContact NH2-OE1 3.27Å; R260-E264 WeakPolarHBondContact O-CG 3.3Å; R260-E264 PolarHBondContact O-N 2.96Å
261L89.6Confident88.3Confident91 Ų91104.7 Ų104.748%0.47653%0.529SS..Hα-helixtrans-63.1-36.1178.6-72.9173.6000112.2M257 L258 K265M257-L261 HydrophobicContact CG-CD1 4.42Å; M257-L261 WeakPolarHBondContact O-CG 3.31Å; M257-L261 PolarHBondContact O-N 3.06Å; L258-L261 PolarHBondContact O-N 3.44Å; L261-K265 VanDerWaalsContact O-CB 3.26Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.36Å
262L88.6Confident88.9Confident97 Ų97100.6 Ų100.651%0.50852%0.516SS..Hα-helixtrans-65.2-41.4173.9-78.3167.2000111.9L258 E259 R260 K265 A266L258-L262 WeakPolarHBondContact O-CB 3.33Å; L258-L262 WeakPolarHBondContact O-CG 3.46Å; L258-L262 PolarHBondContact O-N 3.18Å; E259-L262 PolarHBondContact O-N 2.99Å; R260-L262 VanDerWaalsContact C-N 3.3Å; R260-L262 PolarHBondContact O-N 3.3Å; L262-K265 PolarHBondContact O-N 3.32Å; L262-A266 WeakPolarHBondContact O-CB 3.38Å; L262-A266 PolarHBondContact O-N 3.16Å
263N90.4Very high89.3Confident118 Ų11897.5 Ų97.563%0.63151%0.507SS*.Hα-helixtrans-65.3-45.5175.3-74-21.1000111.8E259 R260 K265 A266 E267E259-N263 PolarHBondContact O-N 3.06Å; E259-N263 PolarHBondContact O-ND2 3.45Å; R260-N263 PolarHBondContact O-N 3.42Å; N263-K265 VanDerWaalsContact C-N 3.33Å; N263-K265 PolarHBondContact O-N 3.33Å; N263-A266 PolarHBondContact O-N 3.36Å; N263-E267 PolarHBondContact O-N 3.03Å
264E91Very high89.6Confident77 Ų7799.7 Ų99.736%0.3651%0.511SS..Hα-helixtrans-60.9-42.4175.5-72.1176.2-172.200111R260 A266 E267 V268R260-E264 IonicContact CZ-OE1 2.82Å; R260-E264 IonicContact NE-OE1 3.22Å; R260-E264 PolarHBondContact NE-OE1 2.93Å; R260-E264 IonicContact NH2-OE1 3.74Å; R260-E264 PolarHBondContact NH2-OE1 3.27Å; R260-E264 WeakPolarHBondContact O-CG 3.3Å; R260-E264 PolarHBondContact O-N 2.96Å; E264-A266 PolarHBondContact O-N 3.05Å; E264-E267 PolarHBondContact O-N 3.32Å; E264-V268 WeakPolarHBondContact O-CG2 3.3Å; E264-V268 PolarHBondContact O-N 3.02Å
265K91Very high90Very high148 Ų148102 Ų10264%0.64352%0.517SS*.Hα-helixtrans-59.8-43.9173.5180-176.2177.4-178.30111.9L261 L262 N263 E267 V268 F269L261-K265 VanDerWaalsContact O-CB 3.26Å; L261-K265 WeakPolarHBondContact O-CB 3.48Å; L261-K265 PolarHBondContact O-N 3.36Å; L262-K265 PolarHBondContact O-N 3.32Å; N263-K265 VanDerWaalsContact C-N 3.33Å; N263-K265 PolarHBondContact O-N 3.33Å; K265-E267 VanDerWaalsContact C-N 3.34Å; K265-V268 PolarHBondContact O-N 3.1Å; K265-F269 VanDerWaalsContact O-CB 3.26Å; K265-F269 WeakPolarHBondContact O-CB 3.46Å; K265-F269 PolarHBondContact O-N 3.18Å
266A88.3Confident90.5Very high60 Ų60101.9 Ų101.950%0.49652%0.519SS..Hα-helixtrans-63.9-40178.300000111.8L262 N263 E264 F269 S270L262-A266 WeakPolarHBondContact O-CB 3.38Å; L262-A266 PolarHBondContact O-N 3.16Å; N263-A266 PolarHBondContact O-N 3.36Å; E264-A266 PolarHBondContact O-N 3.05Å; A266-F269 PolarHBondContact O-N 2.88Å; A266-S270 PolarHBondContact O-N 3.39Å
267E92.7Very high90.8Very high104 Ų104103.5 Ų103.549%0.48652%0.524SS..Hα-helixtrans-64.7-47175.8-169.1-169.3154.800111.8N263 E264 K265 F269 S270 K271N263-E267 PolarHBondContact O-N 3.03Å; E264-E267 PolarHBondContact O-N 3.32Å; K265-E267 VanDerWaalsContact C-N 3.34Å; E267-F269 VanDerWaalsContact C-N 3.29Å; E267-F269 PolarHBondContact O-N 2.9Å; E267-S270 PolarHBondContact O-N 3.34Å; E267-K271 WeakPolarHBondContact O-CG 3.46Å; E267-K271 PolarHBondContact O-N 2.92Å; E267-K271 VanDerWaalsContact OE1-CE 3.29Å; E267-K271 WeakPolarHBondContact OE1-CE 3.45Å; E267-K271 IonicContact OE1-NZ 3.68Å; E267-K271 PolarHBondContact OE1-NZ 3.26Å
268V90.1Very high91.2Very high95 Ų95101.1 Ų101.158%0.57652%0.519SS*.Hα-helixtrans-62-39.7176.2171.90000110.8E264 K265 K271 A272E264-V268 WeakPolarHBondContact O-CG2 3.3Å; E264-V268 PolarHBondContact O-N 3.02Å; K265-V268 PolarHBondContact O-N 3.1Å; V268-K271 PolarHBondContact O-N 2.93Å; V268-A272 WeakPolarHBondContact O-CB 3.43Å; V268-A272 PolarHBondContact O-N 3.27Å
269F92.2Very high91.4Very high135 Ų135101.4 Ų101.459%0.59252%0.521SS*.Hα-helixtrans-64.3-43.7176.5-170.8-94000112K265 A266 E267 K271 A272 T273K265-F269 VanDerWaalsContact O-CB 3.26Å; K265-F269 WeakPolarHBondContact O-CB 3.46Å; K265-F269 PolarHBondContact O-N 3.18Å; A266-F269 PolarHBondContact O-N 2.88Å; E267-F269 VanDerWaalsContact C-N 3.29Å; E267-F269 PolarHBondContact O-N 2.9Å; F269-K271 VanDerWaalsContact C-N 3.34Å; F269-K271 PolarHBondContact O-N 3.42Å; F269-A272 WeakPolarHBondContact O-CB 3.34Å; F269-A272 PolarHBondContact O-N 3.19Å; F269-T273 HydrophobicContact CD1-CG2 4.21Å; F269-T273 HydrophobicContact CE1-CG2 3.84Å; F269-T273 HydrophobicContact CZ-CG2 4.26Å; F269-T273 PolarHBondContact O-N 3.09Å; F269-T273 PolarHBondContact O-OG1 2.86Å
270S91.6Very high91.7Very high60 Ų6098.8 Ų98.842%0.4252%0.515SS..Hα-helixtrans-57.8-47.6173.7-170.80000111.3A266 E267 A272 T273 D274A266-S270 PolarHBondContact O-N 3.39Å; E267-S270 PolarHBondContact O-N 3.34Å; S270-A272 VanDerWaalsContact C-N 3.3Å; S270-A272 PolarHBondContact O-N 2.99Å; S270-T273 WeakPolarHBondContact CA-OG1 3.49Å; S270-T273 PolarHBondContact O-N 3.47Å; S270-T273 PolarHBondContact O-OG1 3.17Å; S270-D274 VanDerWaalsContact O-CG 3.29Å; S270-D274 PolarHBondContact O-N 2.81Å
271K94.9Very high92Very high111 Ų11194.6 Ų94.648%0.48351%0.508SS..Hα-helixtrans-59.9-39.4176.2-72.2170.8176.5170.60112.1E267 V268 F269 D274 L275E267-K271 WeakPolarHBondContact O-CG 3.46Å; E267-K271 PolarHBondContact O-N 2.92Å; E267-K271 VanDerWaalsContact OE1-CE 3.29Å; E267-K271 WeakPolarHBondContact OE1-CE 3.45Å; E267-K271 IonicContact OE1-NZ 3.68Å; E267-K271 PolarHBondContact OE1-NZ 3.26Å; V268-K271 PolarHBondContact O-N 2.93Å; F269-K271 VanDerWaalsContact C-N 3.34Å; F269-K271 PolarHBondContact O-N 3.42Å; K271-D274 PolarHBondContact O-N 3.02Å; K271-L275 WeakPolarHBondContact O-CG 3.38Å; K271-L275 PolarHBondContact O-N 3.4Å
272A91.1Very high92Very high39 Ų3993.3 Ų93.332%0.32251%0.507SS..Hα-helixtrans-63.1-44.9175.700000111.3V268 F269 S270 D274 L275 E276V268-A272 WeakPolarHBondContact O-CB 3.43Å; V268-A272 PolarHBondContact O-N 3.27Å; F269-A272 WeakPolarHBondContact O-CB 3.34Å; F269-A272 PolarHBondContact O-N 3.19Å; S270-A272 VanDerWaalsContact C-N 3.3Å; S270-A272 PolarHBondContact O-N 2.99Å; A272-D274 VanDerWaalsContact C-N 3.32Å; A272-D274 PolarHBondContact O-N 2.92Å; A272-L275 PolarHBondContact O-N 3.01Å; A272-E276 WeakPolarHBondContact O-CG 3.49Å; A272-E276 PolarHBondContact O-N 3.47Å
273T91.1Very high92.4Very high53 Ų5394.3 Ų94.333%0.32551%0.509SS..Hα-helixtrans-64.7-35.1176.756.20000112.9F269 S270 E276 H277F269-T273 HydrophobicContact CD1-CG2 4.21Å; F269-T273 HydrophobicContact CE1-CG2 3.84Å; F269-T273 HydrophobicContact CZ-CG2 4.26Å; F269-T273 PolarHBondContact O-N 3.09Å; F269-T273 PolarHBondContact O-OG1 2.86Å; S270-T273 WeakPolarHBondContact CA-OG1 3.49Å; S270-T273 PolarHBondContact O-N 3.47Å; S270-T273 PolarHBondContact O-OG1 3.17Å; T273-E276 PolarHBondContact O-N 2.98Å; T273-H277 WeakPolarHBondContact O-CB 3.31Å; T273-H277 PolarHBondContact O-N 2.91Å
274D93.7Very high92.6Very high101 Ų10195.9 Ų95.954%0.5451%0.51SS..Hα-helixtrans-66.4-40.7174.8-66.9-29.3000111.6S270 K271 A272 H277 S278S270-D274 VanDerWaalsContact O-CG 3.29Å; S270-D274 PolarHBondContact O-N 2.81Å; K271-D274 PolarHBondContact O-N 3.02Å; A272-D274 VanDerWaalsContact C-N 3.32Å; A272-D274 PolarHBondContact O-N 2.92Å; D274-H277 PolarHBondContact O-N 2.99Å; D274-S278 WeakPolarHBondContact O-CB 3.46Å; D274-S278 PolarHBondContact O-N 3.37Å
275L91.5Very high92.7Very high125 Ų12596 Ų9665%0.65451%0.51SS*.Hα-helixtrans-67.5-40.9175.4-73.3174.6000112.2K271 A272 H277 S278 L279K271-L275 WeakPolarHBondContact O-CG 3.38Å; K271-L275 PolarHBondContact O-N 3.4Å; A272-L275 PolarHBondContact O-N 3.01Å; L275-H277 VanDerWaalsContact C-N 3.31Å; L275-H277 PolarHBondContact O-N 2.84Å; L275-S278 PolarHBondContact O-N 3.28Å; L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.48Å
276E93.4Very high92.8Very high132 Ų13291.3 Ų91.362%0.61750%0.496SS*.Hα-helixtrans-60.3-41.8172.8-74.7179.4169.200111.4A272 T273 L279 A280A272-E276 WeakPolarHBondContact O-CG 3.49Å; A272-E276 PolarHBondContact O-N 3.47Å; T273-E276 PolarHBondContact O-N 2.98Å; E276-L279 PolarHBondContact O-N 3.05Å; E276-A280 WeakPolarHBondContact O-CB 3.49Å; E276-A280 PolarHBondContact O-N 3.29Å
277H94.6Very high93.1Very high133 Ų13393 Ų9362%0.61650%0.495SS*.Hα-helixtrans-64.5-45.9175.8-167.269.6000111.9T273 D274 L275 L279 A280 V281T273-H277 WeakPolarHBondContact O-CB 3.31Å; T273-H277 PolarHBondContact O-N 2.91Å; D274-H277 PolarHBondContact O-N 2.99Å; L275-H277 VanDerWaalsContact C-N 3.31Å; L275-H277 PolarHBondContact O-N 2.84Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 2.97Å; H277-A280 PolarHBondContact O-N 2.89Å; H277-V281 WeakPolarHBondContact O-CG2 3.44Å; H277-V281 PolarHBondContact O-N 2.97Å
278S94.6Very high93.2Very high73 Ų7393.5 Ų93.551%0.5149%0.493SS..Hα-helixtrans-60-43176.2-173.70000112.1D274 L275 V281 S282D274-S278 WeakPolarHBondContact O-CB 3.46Å; D274-S278 PolarHBondContact O-N 3.37Å; L275-S278 PolarHBondContact O-N 3.28Å; S278-V281 PolarHBondContact O-N 2.87Å; S278-S282 WeakPolarHBondContact O-CB 3.45Å; S278-S282 PolarHBondContact O-N 2.99Å
279L91.3Very high93.4Very high117 Ų11793.3 Ų93.361%0.61349%0.488SS*.Hα-helixtrans-61.1-45.4174.6179.464.8000111.4L275 E276 H277 V281 S282 Q283L275-L279 WeakPolarHBondContact O-CB 3.39Å; L275-L279 PolarHBondContact O-N 3.48Å; E276-L279 PolarHBondContact O-N 3.05Å; H277-L279 VanDerWaalsContact C-N 3.34Å; H277-L279 PolarHBondContact O-N 2.97Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.31Å; L279-S282 PolarHBondContact O-N 3.32Å; L279-Q283 WeakPolarHBondContact O-CB 3.27Å; L279-Q283 PolarHBondContact O-N 3.44Å
280A95.1Very high93.6Very high39 Ų3994.9 Ų94.932%0.32249%0.49SS..Hα-helixtrans-63.2-38.4178.200000112.4E276 H277 K284E276-A280 WeakPolarHBondContact O-CB 3.49Å; E276-A280 PolarHBondContact O-N 3.29Å; H277-A280 PolarHBondContact O-N 2.89Å; A280-K284 WeakPolarHBondContact O-CG 3.49Å; A280-K284 PolarHBondContact O-N 2.97Å
281V95.6Very high93.8Very high78 Ų7896.5 Ų96.547%0.47349%0.491SS..Hα-helixtrans-64.3-48.7173.9171.70000110.6H277 S278 L279 Q283 K284 E285H277-V281 WeakPolarHBondContact O-CG2 3.44Å; H277-V281 PolarHBondContact O-N 2.97Å; S278-V281 PolarHBondContact O-N 2.87Å; L279-V281 VanDerWaalsContact C-N 3.33Å; L279-V281 PolarHBondContact O-N 3.31Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 2.93Å; V281-K284 PolarHBondContact O-N 3.45Å; V281-E285 PolarHBondContact O-N 3.44Å
282S89.4Confident93.8Very high65 Ų6594 Ų9446%0.45548%0.483SS..Hα-helixtrans-61.6-38.9177.5-178.20000112.1S278 L279 E285 C286S278-S282 WeakPolarHBondContact O-CB 3.45Å; S278-S282 PolarHBondContact O-N 2.99Å; L279-S282 PolarHBondContact O-N 3.32Å; S282-E285 WeakPolarHBondContact O-CB 3.48Å; S282-E285 PolarHBondContact O-N 3.49Å; S282-C286 PolarHBondContact O-N 3.3Å; S282-C286 PolarHBondContact O-SG 2.91Å; S282-C286 VanDerWaalsContact O-SG 3.37Å
283Q96.1Very high93.9Very high117 Ų11799.8 Ų99.855%0.54750%0.497SS..Hα-helixtrans-64.5-42176.3-174.2175.6-1.800112.1L279 V281 E285 C286 I287L279-Q283 WeakPolarHBondContact O-CB 3.27Å; L279-Q283 PolarHBondContact O-N 3.44Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 2.93Å; Q283-E285 VanDerWaalsContact C-N 3.32Å; Q283-C286 WeakPolarHBondContact O-CB 3.48Å; Q283-C286 PolarHBondContact O-N 3Å; Q283-I287 HydrophobicContact CG-CD1 4.46Å; Q283-I287 WeakPolarHBondContact O-CG1 3.42Å; Q283-I287 PolarHBondContact O-N 2.99Å
284K95.1Very high94.1Very high151 Ų151101.8 Ų101.866%0.65750%0.503SS*.Hα-helixtrans-61.5-41.6173.5-74.4174.2-177.5177.90111.6A280 V281 I287 R288A280-K284 WeakPolarHBondContact O-CG 3.49Å; A280-K284 PolarHBondContact O-N 2.97Å; V281-K284 PolarHBondContact O-N 3.45Å; K284-I287 WeakPolarHBondContact O-CB 3.49Å; K284-I287 PolarHBondContact O-N 3.27Å; K284-R288 PolarHBondContact O-N 3.02Å
285E94.5Very high94.2Very high80 Ų80100.5 Ų100.537%0.37450%0.496SS..Hα-helixtrans-63-42.3175.6-178.561.4-173.200111.7V281 S282 Q283 I287 R288 L289V281-E285 PolarHBondContact O-N 3.44Å; S282-E285 WeakPolarHBondContact O-CB 3.48Å; S282-E285 PolarHBondContact O-N 3.49Å; Q283-E285 VanDerWaalsContact C-N 3.32Å; E285-I287 VanDerWaalsContact C-N 3.27Å; E285-I287 PolarHBondContact O-N 3.33Å; E285-R288 WeakPolarHBondContact O-CB 3.43Å; E285-R288 PolarHBondContact O-N 3.02Å; E285-R288 IonicContact OE1-CZ 3.21Å; E285-R288 IonicContact OE1-NE 3.53Å; E285-R288 IonicContact OE1-NH2 3.61Å; E285-R288 PolarHBondContact OE1-NH2 2.87Å; E285-R288 IonicContact OE2-CZ 3.42Å; E285-R288 IonicContact OE2-NE 3.33Å; E285-R288 PolarHBondContact OE2-NE 2.99Å; E285-R288 IonicContact OE2-NH2 3.5Å; E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.37Å; E285-L289 PolarHBondContact O-N 3.43Å
286C92.1Very high94.3Very high49 Ų4999 Ų9933%0.33149%0.488SS..Hα-helixtrans-62.8-31.3173.6-73.50000113.2S282 Q283 R290S282-C286 PolarHBondContact O-N 3.3Å; S282-C286 PolarHBondContact O-SG 2.91Å; S282-C286 VanDerWaalsContact O-SG 3.37Å; Q283-C286 WeakPolarHBondContact O-CB 3.48Å; Q283-C286 PolarHBondContact O-N 3Å; C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 WeakPolarHBondContact O-CG 3.38Å; C286-R290 PolarHBondContact O-N 3.46Å; C286-R290 PolarHBondContact O-NE 2.88Å; C286-R290 VanDerWaalsContact O-NE 3.09Å
287I94.6Very high94.4Very high96 Ų9698 Ų9849%0.49248%0.484SS..Hα-helixtrans-71-45.6173.2-68.2164.2000109.7Q283 K284 E285 L289 R290 Q291Q283-I287 HydrophobicContact CG-CD1 4.46Å; Q283-I287 WeakPolarHBondContact O-CG1 3.42Å; Q283-I287 PolarHBondContact O-N 2.99Å; K284-I287 WeakPolarHBondContact O-CB 3.49Å; K284-I287 PolarHBondContact O-N 3.27Å; E285-I287 VanDerWaalsContact C-N 3.27Å; E285-I287 PolarHBondContact O-N 3.33Å; I287-L289 PolarHBondContact O-N 3.39Å; I287-R290 PolarHBondContact O-N 3.45Å; I287-Q291 PolarHBondContact O-N 2.94Å
288R95.4Very high94.4Very high114 Ų11496.9 Ų96.943%0.4348%0.478SS..Hα-helixtrans-58.4-48.1177.8-167.6-169.869.568.94.8111.8K284 E285 R290 Q291 D292K284-R288 PolarHBondContact O-N 3.02Å; E285-R288 WeakPolarHBondContact O-CB 3.43Å; E285-R288 PolarHBondContact O-N 3.02Å; E285-R288 IonicContact OE1-CZ 3.21Å; E285-R288 IonicContact OE1-NE 3.53Å; E285-R288 IonicContact OE1-NH2 3.61Å; E285-R288 PolarHBondContact OE1-NH2 2.87Å; E285-R288 IonicContact OE2-CZ 3.42Å; E285-R288 IonicContact OE2-NE 3.33Å; E285-R288 PolarHBondContact OE2-NE 2.99Å; E285-R288 IonicContact OE2-NH2 3.5Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 3.44Å; R288-Q291 WeakPolarHBondContact O-CB 3.2Å; R288-Q291 PolarHBondContact O-N 3.29Å; R288-D292 IonicContact CZ-OD2 2.77Å; R288-D292 IonicContact NH1-OD2 2.9Å; R288-D292 PolarHBondContact NH1-OD2 3.31Å; R288-D292 PolarHBondContact O-N 3.18Å
289L94.7Very high94.3Very high91 Ų9195.7 Ų95.748%0.47647%0.473SS..Hα-helixtrans-63.9-35.5178.1-70.6172.8000112.7E285 I287 D292 Y293E285-L289 HydrophobicContact CG-CD1 4.18Å; E285-L289 WeakPolarHBondContact O-CG 3.37Å; E285-L289 PolarHBondContact O-N 3.43Å; I287-L289 PolarHBondContact O-N 3.39Å; L289-D292 PolarHBondContact O-N 2.93Å; L289-Y293 WeakPolarHBondContact O-CB 3.3Å; L289-Y293 PolarHBondContact O-N 3.33Å
290R95.6Very high94.2Very high169 Ų16997.9 Ų97.964%0.63847%0.474SS*.Hα-helixtrans-65.8-43.3173.3-84.2-178.7-101.9-123.84.8111.9C286 I287 R288 Y293 E294C286-R290 WeakPolarHBondContact O-CB 3.42Å; C286-R290 WeakPolarHBondContact O-CG 3.38Å; C286-R290 PolarHBondContact O-N 3.46Å; C286-R290 PolarHBondContact O-NE 2.88Å; C286-R290 VanDerWaalsContact O-NE 3.09Å; I287-R290 PolarHBondContact O-N 3.45Å; R288-R290 VanDerWaalsContact C-N 3.32Å; R288-R290 PolarHBondContact O-N 3.44Å; R290-Y293 WeakPolarHBondContact O-CB 3.42Å; R290-Y293 PolarHBondContact O-N 2.81Å; R290-E294 PolarHBondContact O-N 3.38Å
291Q95.4Very high94.1Very high93 Ų93101.1 Ų101.144%0.43548%0.483SS..Hα-helixtrans-62.9-43175.4-169.765.853.800111.4I287 R288 Y293 E294 N295I287-Q291 PolarHBondContact O-N 2.94Å; R288-Q291 WeakPolarHBondContact O-CB 3.2Å; R288-Q291 PolarHBondContact O-N 3.29Å; Q291-Y293 VanDerWaalsContact C-N 3.31Å; Q291-Y293 PolarHBondContact O-N 3.29Å; Q291-E294 PolarHBondContact O-N 2.97Å; Q291-N295 PolarHBondContact NE2-OD1 3.46Å; Q291-N295 VanDerWaalsContact NE2-OD1 3.13Å; Q291-N295 WeakPolarHBondContact O-CB 3.35Å; Q291-N295 PolarHBondContact O-N 3.48Å; Q291-N295 PolarHBondContact O-ND2 2.96Å; Q291-N295 PolarHBondContact O-OD1 3.27Å
292D95.4Very high94Very high58 Ų58102.1 Ų102.131%0.3149%0.485SS..Hα-helixtrans-60.7-42.5176.2-70.6-14.9000111.2R288 L289 N295 I296R288-D292 IonicContact CZ-OD2 2.77Å; R288-D292 IonicContact NH1-OD2 2.9Å; R288-D292 PolarHBondContact NH1-OD2 3.31Å; R288-D292 PolarHBondContact O-N 3.18Å; L289-D292 PolarHBondContact O-N 2.93Å; D292-N295 PolarHBondContact O-N 3.06Å; D292-I296 WeakPolarHBondContact O-CB 3.49Å; D292-I296 WeakPolarHBondContact O-CD1 3.43Å; D292-I296 WeakPolarHBondContact O-CG1 3.43Å; D292-I296 PolarHBondContact O-N 2.9Å
293Y92.5Very high94.1Very high161 Ų161103.6 Ų103.663%0.63149%0.488SS*.Hα-helixtrans-61.4-45.5175.7-178.6-93.6000112.1L289 R290 Q291 I296 Q297L289-Y293 WeakPolarHBondContact O-CB 3.3Å; L289-Y293 PolarHBondContact O-N 3.33Å; R290-Y293 WeakPolarHBondContact O-CB 3.42Å; R290-Y293 PolarHBondContact O-N 2.81Å; Q291-Y293 VanDerWaalsContact C-N 3.31Å; Q291-Y293 PolarHBondContact O-N 3.29Å; Y293-I296 PolarHBondContact O-N 2.93Å; Y293-Q297 WeakPolarHBondContact O-CB 3.49Å; Y293-Q297 PolarHBondContact O-N 3.39Å
294E95.3Very high93.8Very high95 Ų9599.9 Ų99.944%0.44448%0.477SS..Hα-helixtrans-62.3-45.6176.9-172.9171.5-151.800111.5R290 Q291 I296 Q297 E298R290-E294 PolarHBondContact O-N 3.38Å; Q291-E294 PolarHBondContact O-N 2.97Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.38Å; E294-Q297 WeakPolarHBondContact O-CB 3.49Å; E294-Q297 PolarHBondContact O-N 2.92Å; E294-Q297 VanDerWaalsContact O-N 3.15Å; E294-E298 WeakPolarHBondContact O-CG 3.24Å; E294-E298 PolarHBondContact O-N 3.08Å
295N96.1Very high93.5Very high74 Ų7495.5 Ų95.540%0.39646%0.461SS..Hα-helixtrans-60.3-41.7176.7-64.9-17.2000112Q291 D292 A299Q291-N295 PolarHBondContact NE2-OD1 3.46Å; Q291-N295 VanDerWaalsContact NE2-OD1 3.13Å; Q291-N295 WeakPolarHBondContact O-CB 3.35Å; Q291-N295 PolarHBondContact O-N 3.48Å; Q291-N295 PolarHBondContact O-ND2 2.96Å; Q291-N295 PolarHBondContact O-OD1 3.27Å; D292-N295 PolarHBondContact O-N 3.06Å; N295-A299 WeakPolarHBondContact O-CB 3.45Å; N295-A299 PolarHBondContact O-N 3.01Å
296I93.6Very high93.4Very high94 Ų9495 Ų9548%0.48246%0.461SS..Hα-helixtrans-66.3-42.4176.3-71.1163.8000110.2D292 Y293 E294 A299 Y300D292-I296 WeakPolarHBondContact O-CB 3.49Å; D292-I296 WeakPolarHBondContact O-CD1 3.43Å; D292-I296 WeakPolarHBondContact O-CG1 3.43Å; D292-I296 PolarHBondContact O-N 2.9Å; Y293-I296 PolarHBondContact O-N 2.93Å; E294-I296 VanDerWaalsContact C-N 3.32Å; E294-I296 PolarHBondContact O-N 3.38Å; I296-A299 WeakPolarHBondContact O-CB 3.42Å; I296-A299 PolarHBondContact O-N 3.38Å; I296-Y300 HydrophobicContact CG2-CD2 3.63Å; I296-Y300 HydrophobicContact CG2-CE2 3.4Å; I296-Y300 VanDerWaalsContact CG2-CE2 3.4Å; I296-Y300 WeakPolarHBondContact O-CD2 3.38Å; I296-Y300 PolarHBondContact O-N 2.95Å
297Q94.8Very high93Very high112 Ų112101.6 Ų101.652%0.52348%0.479SS..Hα-helixtrans-61.7-44.4176.9-175.9176.3-7.400111.5Y293 E294 Y300 Q301Y293-Q297 WeakPolarHBondContact O-CB 3.49Å; Y293-Q297 PolarHBondContact O-N 3.39Å; E294-Q297 WeakPolarHBondContact O-CB 3.49Å; E294-Q297 PolarHBondContact O-N 2.92Å; E294-Q297 VanDerWaalsContact O-N 3.15Å; Q297-Y300 PolarHBondContact O-N 3.15Å; Q297-Q301 PolarHBondContact O-N 2.91Å
298E94.6Very high92.4Very high109 Ų109102.9 Ų102.951%0.50948%0.483SS..Hα-helixtrans-61.9-41.7173.2-73.8-172.117100111.9E294 Y300 Q301 N302E294-E298 WeakPolarHBondContact O-CG 3.24Å; E294-E298 PolarHBondContact O-N 3.08Å; E298-Y300 VanDerWaalsContact C-N 3.34Å; E298-Y300 PolarHBondContact O-N 2.87Å; E298-Q301 PolarHBondContact O-N 3.46Å; E298-N302 WeakPolarHBondContact O-CB 3.35Å; E298-N302 PolarHBondContact O-N 3.42Å; E298-N302 PolarHBondContact O-ND2 2.83Å; E298-N302 VanDerWaalsContact O-ND2 3.12Å
299A94.1Very high91.9Very high48 Ų48101.1 Ų101.140%0.39749%0.488SS..Hα-helixtrans-60.8-42.4176.100000112N295 I296 N302 L303N295-A299 WeakPolarHBondContact O-CB 3.45Å; N295-A299 PolarHBondContact O-N 3.01Å; I296-A299 WeakPolarHBondContact O-CB 3.42Å; I296-A299 PolarHBondContact O-N 3.38Å; A299-N302 PolarHBondContact O-N 3.49Å; A299-L303 WeakPolarHBondContact O-CB 3.47Å; A299-L303 WeakPolarHBondContact O-CG 3.49Å; A299-L303 PolarHBondContact O-N 3.48Å
300Y89Confident91.4Very high163 Ų163102.8 Ų102.864%0.63949%0.491SS*.Hα-helixtrans-65-41.9173.9-80.6-64.9000112.3I296 Q297 E298 N302 L303 A304I296-Y300 HydrophobicContact CG2-CD2 3.63Å; I296-Y300 HydrophobicContact CG2-CE2 3.4Å; I296-Y300 VanDerWaalsContact CG2-CE2 3.4Å; I296-Y300 WeakPolarHBondContact O-CD2 3.38Å; I296-Y300 PolarHBondContact O-N 2.95Å; Q297-Y300 PolarHBondContact O-N 3.15Å; E298-Y300 VanDerWaalsContact C-N 3.34Å; E298-Y300 PolarHBondContact O-N 2.87Å; Y300-N302 VanDerWaalsContact C-N 3.35Å; Y300-N302 PolarHBondContact O-N 3.39Å; Y300-L303 PolarHBondContact O-N 2.88Å; Y300-A304 WeakPolarHBondContact O-CB 3.44Å; Y300-A304 PolarHBondContact O-N 2.91Å
301Q92.9Very high90.5Very high106 Ų106100.4 Ų100.450%0.49549%0.487SS..Hα-helixtrans-63-42.4177-170.762.442.200111.4Q297 E298 A304 N305Q297-Q301 PolarHBondContact O-N 2.91Å; E298-Q301 PolarHBondContact O-N 3.46Å; Q301-A304 WeakPolarHBondContact O-CB 3.46Å; Q301-A304 PolarHBondContact O-N 3.01Å; Q301-N305 PolarHBondContact NE2-OD1 3.35Å; Q301-N305 WeakPolarHBondContact O-CB 3.38Å; Q301-N305 PolarHBondContact O-N 3.24Å; Q301-N305 PolarHBondContact O-ND2 3.37Å; Q301-N305 PolarHBondContact O-OD1 3.17Å
302N93.4Very high89.6Confident99 Ų99100.6 Ų100.653%0.52950%0.495SS..Hα-helixtrans-65.1-40.8177-70.6-30.9000112E298 A299 Y300 A304 N305 D306E298-N302 WeakPolarHBondContact O-CB 3.35Å; E298-N302 PolarHBondContact O-N 3.42Å; E298-N302 PolarHBondContact O-ND2 2.83Å; E298-N302 VanDerWaalsContact O-ND2 3.12Å; A299-N302 PolarHBondContact O-N 3.49Å; Y300-N302 VanDerWaalsContact C-N 3.35Å; Y300-N302 PolarHBondContact O-N 3.39Å; N302-A304 VanDerWaalsContact C-N 3.34Å; N302-N305 PolarHBondContact O-N 3.42Å; N302-D306 WeakPolarHBondContact O-CB 3.45Å; N302-D306 PolarHBondContact O-N 2.96Å
303L90Very high88.6Confident96 Ų96100.5 Ų100.550%0.50350%0.502SS..Hα-helixtrans-62.7-39.3173-84.6159000112.3A299 Y300 R307A299-L303 WeakPolarHBondContact O-CB 3.47Å; A299-L303 WeakPolarHBondContact O-CG 3.49Å; A299-L303 PolarHBondContact O-N 3.48Å; Y300-L303 PolarHBondContact O-N 2.88Å; L303-R307 WeakPolarHBondContact O-CG 3.44Å; L303-R307 PolarHBondContact O-N 3.35Å; L303-R307 VanDerWaalsContact O-N 3.11Å
304A89.8Confident87.2Confident39 Ų3995.8 Ų95.832%0.32249%0.492SS..Hα-helixtrans-64.1-49.5174.900000111Y300 Q301 N302 D306 R307 E308Y300-A304 WeakPolarHBondContact O-CB 3.44Å; Y300-A304 PolarHBondContact O-N 2.91Å; Q301-A304 WeakPolarHBondContact O-CB 3.46Å; Q301-A304 PolarHBondContact O-N 3.01Å; N302-A304 VanDerWaalsContact C-N 3.34Å; A304-D306 VanDerWaalsContact C-N 3.35Å; A304-D306 PolarHBondContact O-N 3.17Å; A304-R307 WeakPolarHBondContact O-CB 3.4Å; A304-R307 PolarHBondContact O-N 2.95Å; A304-R307 VanDerWaalsContact O-N 3.17Å; A304-E308 PolarHBondContact O-N 2.72Å
305N90.3Very high85.5Confident60 Ų6096.2 Ų96.232%0.32149%0.494SS..Hα-helixtrans-62.3-38178.7-63.7-11.6000112.6Q301 N302 E308 S309Q301-N305 PolarHBondContact NE2-OD1 3.35Å; Q301-N305 WeakPolarHBondContact O-CB 3.38Å; Q301-N305 PolarHBondContact O-N 3.24Å; Q301-N305 PolarHBondContact O-ND2 3.37Å; Q301-N305 PolarHBondContact O-OD1 3.17Å; N302-N305 PolarHBondContact O-N 3.42Å; N305-E308 PolarHBondContact O-N 2.89Å; N305-S309 WeakPolarHBondContact O-CB 3.15Å; N305-S309 PolarHBondContact O-N 2.87Å; N305-S309 PolarHBondContact O-OG 2.99Å
306D91Very high83.6Confident70 Ų7094.6 Ų94.637%0.37450%0.496SS..Hα-helixtrans-65.6-39.9175.4176.363.7000111.6N302 A304 S309 K310N302-D306 WeakPolarHBondContact O-CB 3.45Å; N302-D306 PolarHBondContact O-N 2.96Å; A304-D306 VanDerWaalsContact C-N 3.35Å; A304-D306 PolarHBondContact O-N 3.17Å; D306-S309 PolarHBondContact O-N 3.45Å; D306-K310 WeakPolarHBondContact O-CB 3.32Å; D306-K310 VanDerWaalsContact O-CG 3.3Å; D306-K310 WeakPolarHBondContact O-CG 3.43Å; D306-K310 PolarHBondContact O-N 3.48Å; D306-K310 WeakPolarHBondContact OD1-CE 3.48Å; D306-K310 IonicContact OD1-NZ 3.27Å; D306-K310 PolarHBondContact OD1-NZ 2.95Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.69Å; D306-K310 PolarHBondContact OD2-NZ 3.39Å
307R83.7Confident81.8Confident187 Ų18793.2 Ų93.271%0.70649%0.494SS*.Hα-helixtrans-64.7-44.5174.1-76-178.1176.4-173.10.4112L303 A304 K310 Q311L303-R307 WeakPolarHBondContact O-CG 3.44Å; L303-R307 PolarHBondContact O-N 3.35Å; L303-R307 VanDerWaalsContact O-N 3.11Å; A304-R307 WeakPolarHBondContact O-CB 3.4Å; A304-R307 PolarHBondContact O-N 2.95Å; A304-R307 VanDerWaalsContact O-N 3.17Å; R307-K310 PolarHBondContact O-N 3.27Å; R307-Q311 WeakPolarHBondContact O-CB 3.48Å; R307-Q311 PolarHBondContact O-N 3.45Å
308E83.6Confident79.7Confident123 Ų12394.9 Ų94.958%0.57550%0.5SS*.Hα-helixtrans-61.4-45.6175.6-73.4-179.218000111.6A304 N305 K310 Q311 V312A304-E308 PolarHBondContact O-N 2.72Å; N305-E308 PolarHBondContact O-N 2.89Å; E308-K310 PolarHBondContact O-N 3.42Å; E308-Q311 PolarHBondContact O-N 3.02Å; E308-V312 VanDerWaalsContact O-CG2 3.25Å; E308-V312 WeakPolarHBondContact O-CG2 3.46Å; E308-V312 PolarHBondContact O-N 3.07Å
309S83.6Confident77.6Confident77 Ų7796.2 Ų96.254%0.53851%0.506SS..Hα-helixtrans-62.2-41.8178.3-59.80000112.2N305 D306 A313N305-S309 WeakPolarHBondContact O-CB 3.15Å; N305-S309 PolarHBondContact O-N 2.87Å; N305-S309 PolarHBondContact O-OG 2.99Å; D306-S309 PolarHBondContact O-N 3.45Å; S309-A313 WeakPolarHBondContact O-CB 3.43Å; S309-A313 PolarHBondContact O-N 3.12Å
310K84.3Confident75.6Confident126 Ų12697.6 Ų97.655%0.54851%0.513SS..Hα-helixtrans-67.3-36.1175.8-76.6171.3179.4163.60112.4D306 R307 E308 A313 S314D306-K310 WeakPolarHBondContact O-CB 3.32Å; D306-K310 VanDerWaalsContact O-CG 3.3Å; D306-K310 WeakPolarHBondContact O-CG 3.43Å; D306-K310 PolarHBondContact O-N 3.48Å; D306-K310 WeakPolarHBondContact OD1-CE 3.48Å; D306-K310 IonicContact OD1-NZ 3.27Å; D306-K310 PolarHBondContact OD1-NZ 2.95Å; D306-K310 WeakPolarHBondContact OD2-CE 3.48Å; D306-K310 IonicContact OD2-NZ 2.69Å; D306-K310 PolarHBondContact OD2-NZ 3.39Å; R307-K310 PolarHBondContact O-N 3.27Å; E308-K310 PolarHBondContact O-N 3.42Å; K310-A313 PolarHBondContact O-N 3.27Å; K310-S314 WeakPolarHBondContact O-CB 3.3Å; K310-S314 PolarHBondContact O-N 2.87Å
311Q77.3Confident73.6Confident118 Ų11896 Ų9655%0.55152%0.515SS*.Hα-helixtrans-64.5-47.4176.1-174169.8-9.500111R307 E308 A313 S314 E315R307-Q311 WeakPolarHBondContact O-CB 3.48Å; R307-Q311 PolarHBondContact O-N 3.45Å; E308-Q311 PolarHBondContact O-N 3.02Å; Q311-A313 PolarHBondContact O-N 3.5Å; Q311-S314 WeakPolarHBondContact O-CB 3.46Å; Q311-S314 PolarHBondContact O-N 3.36Å; Q311-E315 WeakPolarHBondContact O-CG 3.34Å; Q311-E315 PolarHBondContact O-N 3.01Å
312V75.8Confident71.5Confident98 Ų9897.3 Ų97.359%0.59452%0.524SS*.Hα-helixtrans-62.9-40.3176.7177.90000111.5E308 E315 G316E308-V312 VanDerWaalsContact O-CG2 3.25Å; E308-V312 WeakPolarHBondContact O-CG2 3.46Å; E308-V312 PolarHBondContact O-N 3.07Å; V312-E315 PolarHBondContact O-N 3.49Å; V312-G316 PolarHBondContact O-N 2.98Å
313A75.1Confident69.2Low56 Ų56100.8 Ų100.846%0.46354%0.537SS..Hα-helixtrans-67.5-36.3176.800000113.1S309 K310 Q311 E315 S317S309-A313 WeakPolarHBondContact O-CB 3.43Å; S309-A313 PolarHBondContact O-N 3.12Å; K310-A313 PolarHBondContact O-N 3.27Å; Q311-A313 PolarHBondContact O-N 3.5Å; A313-E315 VanDerWaalsContact C-N 3.34Å; A313-S317 WeakPolarHBondContact O-CB 3.48Å; A313-S317 PolarHBondContact O-N 3.33Å; A313-S317 PolarHBondContact O-OG 3.3Å
314S63.7Low66.8Low61 Ų61105.2 Ų105.243%0.42755%0.552SS.*Hα-helixtrans-64.2-39.7174.6131.20000111.6K310 Q311 K318K310-S314 WeakPolarHBondContact O-CB 3.3Å; K310-S314 PolarHBondContact O-N 2.87Å; Q311-S314 WeakPolarHBondContact O-CB 3.46Å; Q311-S314 PolarHBondContact O-N 3.36Å; S314-K318 PolarHBondContact O-N 2.86Å
315E59Low64.2Low104 Ų104108.7 Ų108.749%0.48657%0.574SS.*Hα-helixtrans-70.9-46.7176.7-71.3172.5-17500110.8Q311 V312 A313 S317 K318 E319Q311-E315 WeakPolarHBondContact O-CG 3.34Å; Q311-E315 PolarHBondContact O-N 3.01Å; V312-E315 PolarHBondContact O-N 3.49Å; A313-E315 VanDerWaalsContact C-N 3.34Å; E315-S317 VanDerWaalsContact C-N 3.31Å; E315-S317 PolarHBondContact O-N 3.41Å; E315-K318 WeakPolarHBondContact O-CB 3.45Å; E315-K318 PolarHBondContact O-N 3.21Å; E315-E319 PolarHBondContact O-N 2.99Å
316G56.1Low61.4Low41 Ų41113.4 Ų113.442%0.42360%0.6SS.*Hα-helixtrans-62.4-32177.900000114.7V312 K318 E319 S320V312-G316 PolarHBondContact O-N 2.98Å; G316-K318 VanDerWaalsContact C-N 3.32Å; G316-E319 PolarHBondContact O-N 3.45Å; G316-S320 PolarHBondContact O-N 2.94Å; G316-S320 VanDerWaalsContact O-N 3.08Å
317S55.7Low58.9Low65 Ų65116.1 Ų116.146%0.45562%0.619SS.*Hα-helixtrans-74.2-22.2176.3-55.10000113A313 E315 N321A313-S317 WeakPolarHBondContact O-CB 3.48Å; A313-S317 PolarHBondContact O-N 3.33Å; A313-S317 PolarHBondContact O-OG 3.3Å; E315-S317 VanDerWaalsContact C-N 3.31Å; E315-S317 PolarHBondContact O-N 3.41Å; S317-N321 PolarHBondContact O-ND2 3.2Å
318K51.1Low56.6Low147 Ų147116.8 Ų116.864%0.63963%0.626SS**Hα-helixtrans-76.7-36.6170.1-71.1179.6-177.31760110.6S314 E315 G316 I322S314-K318 PolarHBondContact O-N 2.86Å; E315-K318 WeakPolarHBondContact O-CB 3.45Å; E315-K318 PolarHBondContact O-N 3.21Å; G316-K318 VanDerWaalsContact C-N 3.32Å; K318-I322 WeakPolarHBondContact O-CG1 3.47Å
319E50.5Low54.2Low136 Ų136117.2 Ų117.264%0.63664%0.637SS**Hα-helixtrans-64.7-44.9175.2-122.676.3-146.600112.2E315 G316 N321 I322E315-E319 PolarHBondContact O-N 2.99Å; G316-E319 PolarHBondContact O-N 3.45Å; E319-N321 VanDerWaalsContact C-N 3.32Å; E319-N321 PolarHBondContact O-N 2.93Å; E319-I322 PolarHBondContact O-N 3.24Å
320S52.1Low51.7Low78 Ų78122.3 Ų122.355%0.54565%0.652SS.*Hα-helixtrans-73.5-19.8-176.968.60000114.7G316 I322G316-S320 PolarHBondContact O-N 2.94Å; G316-S320 VanDerWaalsContact O-N 3.08Å; S320-I322 VanDerWaalsContact C-N 3.33Å
321N46.6Very low49.2Very low128 Ų128121.9 Ų121.968%0.68466%0.661SS**Hα-helixtrans-83.2-9.7176.4-79.7-37.5000113.3S317 E319S317-N321 PolarHBondContact O-ND2 3.2Å; E319-N321 VanDerWaalsContact C-N 3.32Å; E319-N321 PolarHBondContact O-N 2.93Å
322I48.6Very low47Very low134 Ų134122.6 Ų122.669%0.68767%0.668SS**Hα-helixtrans-79.5-24.2174.8-66.2169.2000111.2K318 E319 S320K318-I322 WeakPolarHBondContact O-CG1 3.47Å; E319-I322 PolarHBondContact O-N 3.24Å; S320-I322 VanDerWaalsContact C-N 3.33Å
323E45Very low44.9Very low173 Ų173125.3 Ų125.381%0.80868%0.675SS**SBendtrans-96-5.5-173.1-82.8-167.4158.800116.7
324K39.4Very low42.6Very low188 Ų188130.3 Ų130.382%0.81769%0.693SS**SBendtrans-14570.4-179.9-67.5-174.5-177170.80115
325S36.3Very low41.1Very low112 Ų112137 Ų13778%0.78371%0.714SS**  trans179.591.6131.254.30000110.4
326D32.2Very low39.6Very low159 Ų159139.8 Ų139.885%0.8573%0.732SS**  trans-58.8129.4152.3-92.2-41.7000110
327V38.2Very low38.4Very low128 Ų128146.1 Ų146.178%0.77675%0.751SS**  trans63.897.9155-168.50000117.3
328K33.6Very low37.3Very low200 Ų200152.9 Ų152.987%0.8777%0.772SS**  -161111.2120-120.5175.4179.5-175.50111.9
329V33.5Very low36.3Very low132 Ų132152.6 Ų152.680%0.878%0.782SS**  trans-65120.9163.2173.20000108
330E32.6Very low35.5Very low184 Ų184151 Ų15186%0.8678%0.784SS**  trans-152.8110.3147.8-121.4168.3-165.500109.6
331T30Very low34.4Very low117 Ų117151.3 Ų151.372%0.71880%0.799SS**  trans-54.2127.1160.638.50000110.6
332D31.5Very low34Very low133 Ų133154.1 Ų154.171%0.71181%0.805SS**  trans-175.4125.5135.7-98-28.2000114.2
333Q31.8Very low33.4Very low156 Ų156154.3 Ų154.373%0.72981%0.813SS**  trans6795.8135.4-60.9171.447.700120.1
334L28.1Very low32.7Very low161 Ų161155.7 Ų155.784%0.84382%0.816SS**  11.3106.9128.6-67.8162.6000116.6
335K32Very low32.2Very low200 Ų200154.8 Ų154.887%0.8782%0.82SS**  trans-14091.7148.6-72.7-168.8178.5177.60109.5E337K335-E337 PolarHBondContact O-N 3.06Å; K335-E337 VanDerWaalsContact O-N 3.13Å
336D27.3Very low32.1Very low164 Ų164157.7 Ų157.788%0.87782%0.822SS**  trans-62.999160.8-78.1-44000108.9
337E29.6Very low31.9Very low174 Ų174159.8 Ų159.881%0.81382%0.823SS**  trans-150.597166.1-157.2175.8-161.900109.4K335K335-E337 PolarHBondContact O-N 3.06Å; K335-E337 VanDerWaalsContact O-N 3.13Å
338K32.8Very low31.6Very low207 Ų207161.2 Ų161.290%0.983%0.826SS**  trans-17985148.4-98.3160.4-169.7-1740111.5
339V30.7Very low31.8Very low140 Ų140162.1 Ų162.185%0.84883%0.825SS**  trans-82132.5136.2175.90000104.2
340P33.3Very low31.7Very low103 Ų103161.6 Ų161.667%0.66983%0.827SS**  cis-140.9125.949.731.2-8.7000115.7K342P340-K342 PolarHBondContact O-N 3.22Å; P340-K342 VanDerWaalsContact O-N 3.13Å
341G29.6Very low31.6Very low84 Ų84159.3 Ų159.387%0.86682%0.821SS**  trans-7195153.100000109.8
342K37.7Very low31.7Very low187 Ų187162.6 Ų162.681%0.81383%0.828SS**  trans-152.676.6165.9-78.3-164.9177.9-177.90110.1P340P340-K342 PolarHBondContact O-N 3.22Å; P340-K342 VanDerWaalsContact O-N 3.13Å
343V35.8Very low31.5Very low139 Ų139167.3 Ų167.384%0.84284%0.836SS**SBendtrans-138.7-10.1163.8-174.40000113.7
344F30Very low31.5Very low202 Ų202166 Ų16689%0.88684%0.839SS**SBendtrans-101.67.4-167.5-131.8-95.2000118.2
345D30.1Very low31.6Very low169 Ų169165.4 Ų165.490%0.90484%0.836SS**SBendtrans-115.974.4172.4-81.2-22.1000110.7
346Q33.1Very low31.4Very low173 Ų173163.2 Ų163.281%0.80883%0.834SS**SBendtrans-145.18.7164.9-162.71509.200115.5
347F28.6Very low31.6Very low203 Ų203166.3 Ų166.389%0.8983%0.833SS**SBendtrans-123.341.5-179.9-85.9-73.5000114.4
348L31.2Very low31.5Very low157 Ų157167 Ų16782%0.82284%0.837SS**SBendtrans-146.4109.4157-71.9177.7000107.5
349Y37.4Very low31.5Very low220 Ų220161.6 Ų161.686%0.86383%0.831SS**  trans152.271.7159.3-80.7-62.8000107.6D351Y349-D351 PolarHBondContact O-N 3.45Å
350S32.6Very low31.5Very low120 Ų120163.3 Ų163.384%0.83983%0.829SS**  trans-88.394.8156.3-73.70000107.1H352S350-H352 PolarHBondContact O-N 2.94Å; S350-H352 VanDerWaalsContact O-N 3.14Å
351D29.5Very low31.3Very low136 Ų136165.4 Ų165.473%0.72783%0.834SS**  trans-56.5109.5169.9-79.2-40000109.8Y349 R353Y349-D351 PolarHBondContact O-N 3.45Å; D351-R353 PolarHBondContact O-N 2.85Å
352H33.1Very low31.5Very low186 Ų186168.5 Ų168.586%0.86183%0.831SS**  trans-70.987.8154.8-84.6-66.7000108S350 T354S350-H352 PolarHBondContact O-N 2.94Å; S350-H352 VanDerWaalsContact O-N 3.14Å; H352-T354 PolarHBondContact O-N 3.47Å
353R26.9Very low31Very low232 Ų232168.1 Ų168.188%0.87583%0.832SS**  trans-55.396.7167.8-147.3177.2-168.6-175.23.2108.3D351 N355D351-R353 PolarHBondContact O-N 2.85Å; R353-N355 PolarHBondContact O-N 3.46Å; R353-N355 VanDerWaalsContact O-N 3.16Å
354T32.8Very low30.9Very low129 Ų129169.4 Ų169.479%0.79183%0.834SS**  trans-62.5115.9168.249.90000108H352 N356H352-T354 PolarHBondContact O-N 3.47Å; T354-N356 PolarHBondContact O-N 3.47Å
355N30.5Very low30.7Very low148 Ų148162.8 Ų162.879%0.79182%0.823SS**  trans-57.6111.6178-112-18.7000109.7R353 R357R353-N355 PolarHBondContact O-N 3.46Å; R353-N355 VanDerWaalsContact O-N 3.16Å; N355-R357 PolarHBondContact O-N 3.33Å
356N27.4Very low30.9Very low154 Ų154162.2 Ų162.282%0.82482%0.82SS**  trans-5697.4161.3-105.2-15.3000108.7T354T354-N356 PolarHBondContact O-N 3.47Å
357R30.7Very low30.9Very low229 Ų229161.4 Ų161.486%0.86482%0.821SS**  trans-96.998.7154-80.2-173.6176.8166.5-0107N355 A359N355-R357 PolarHBondContact O-N 3.33Å; R357-A359 PolarHBondContact O-N 3.32Å; R357-A359 VanDerWaalsContact O-N 3.09Å
358Q28.5Very low31.1Very low190 Ų190155.8 Ų155.889%0.88881%0.812SS**  trans-51.3107.3159.8-74.5161.5-33.200108.4
359A31.7Very low31Very low93 Ų93155.6 Ų155.677%0.76981%0.812SS**  trans-115.2106.6158.900000106.2R357 D361R357-A359 PolarHBondContact O-N 3.32Å; R357-A359 VanDerWaalsContact O-N 3.09Å; A359-D361 PolarHBondContact O-N 2.96Å
360H31.9Very low30.7Very low176 Ų176152.5 Ų152.582%0.81581%0.809SS**  trans-28.1121.8175.5-135.1-44.5000114.5N362H360-N362 PolarHBondContact O-N 2.91Å
361D28.1Very low30.5Very low146 Ų146154.6 Ų154.678%0.78181%0.81SS**  trans-53117.8157-76-44.3000109A359A359-D361 PolarHBondContact O-N 2.96Å
362N33.2Very low30.6Very low150 Ų150155.8 Ų155.880%0.80281%0.813SS**  trans-127.7108.3152.2-97.2-16.8000106.9H360 N364H360-N362 PolarHBondContact O-N 2.91Å; N362-N364 PolarHBondContact O-N 3.37Å
363H28.1Very low30.6Very low178 Ų178154.7 Ų154.782%0.82481%0.813SS**  trans-47.7129.9163.2-74.1-64.6000110.9
364N33.2Very low30.5Very low166 Ų166147.2 Ų147.289%0.88881%0.808SS**  -156.4114128.9-93.2-17.3000107N362N362-N364 PolarHBondContact O-N 3.37Å
365G26.8Very low30.4Very low63 Ų63150 Ų15065%0.64982%0.818SS**  trans-73.8171.7166.800000111.1
366D34.2Very low30.5Very low158 Ų158149.9 Ų149.985%0.84582%0.817SS**  trans98.6131.6158.1-53.7-20.2000117.8
367D33.2Very low30.5Very low155 Ų155150 Ų15083%0.82982%0.818SS**  trans94.780.3160.9-56.4-18.3000119.8
368A32.7Very low30.4Very low86 Ų86142.4 Ų142.471%0.71181%0.81SS**  19.8131.512000000120
369N28.3Very low30.2Very low153 Ų153140.8 Ų140.882%0.81881%0.806SS**  trans51.884.6146-79.4-5.5000118.2
370I30.4Very low30.2Very low154 Ų154141.3 Ų141.379%0.7980%0.804SS**  trans-120.275.2149.4-53.5-177.9000108.5M372I370-M372 HydrophobicContact CG2-CB 4.04Å; I370-M372 HydrophobicContact CG2-CG 4.16Å
371L29.1Very low30Very low165 Ų165142.7 Ų142.786%0.86481%0.807SS**  trans-8589.4149.6-87.1165000106
372M31.8Very low30Very low160 Ų160143.3 Ų143.379%0.78881%0.809SS**  trans-121.3115.9168.6-80.1-66.1-73.600109.1I370I370-M372 HydrophobicContact CG2-CB 4.04Å; I370-M372 HydrophobicContact CG2-CG 4.16Å
373N33.6Very low29.9Very low164 Ų164140.2 Ų140.288%0.87780%0.804SS**  trans-54.7143166.1-69.7-34000110.7
374G23.9Very low29.7Very low74 Ų74140.8 Ų140.876%0.76381%0.808SS**  trans114.388.7162.500000113.4
375L32Very low29.7Very low189 Ų189139.9 Ų139.999%0.9980%0.803SS**  trans-102.9108.3153.2-101.7156.2000107.8
376D30.9Very low29.9Very low145 Ų145144.6 Ų144.678%0.77581%0.807SS**  trans-69.5158.1-176.2-150.1-10.1000111.8G378D376-G378 PolarHBondContact O-N 3.01Å
377N28.5Very low29.6Very low157 Ų157143.2 Ų143.284%0.8480%0.8SS**  trans-65.595177.8-79.3-48.2000111.2I379N377-I379 PolarHBondContact O-N 2.67Å
378G29Very low29.5Very low69 Ų69142.9 Ų142.971%0.71180%0.798SS**  trans-87.491.8171.100000112.3D376 S380D376-G378 PolarHBondContact O-N 3.01Å; G378-S380 PolarHBondContact O-N 2.66Å; G378-S380 VanDerWaalsContact O-N 3.09Å
379I24.2Very low29.6Very low156 Ų156148.7 Ų148.780%0.881%0.808SS**  trans-58.9107.7166.5-63.6166.9000108.6N377N377-I379 PolarHBondContact O-N 2.67Å
380S31.3Very low29.6Very low103 Ų103149.7 Ų149.772%0.7281%0.812SS**  trans-118.3100.6163.3-70.90000108.9G378 I382G378-S380 PolarHBondContact O-N 2.66Å; G378-S380 VanDerWaalsContact O-N 3.09Å; S380-I382 PolarHBondContact O-N 3.19Å
381K26.7Very low29.5Very low205 Ų205150.1 Ų150.189%0.89182%0.816SS**  trans-57.2111.6164.3-75.4175.3173.2178.90108.3
382I29.8Very low29.6Very low159 Ų159149.7 Ų149.782%0.81581%0.814SS**  trans-119.1133163.7-61.9177.7000107.6S380S380-I382 PolarHBondContact O-N 3.19Å
383A30.4Very low29.8Very low85 Ų85148.2 Ų148.270%0.70281%0.808SS**  trans-65150.6-163.100000114.6N385A383-N385 PolarHBondContact O-N 2.97Å
384E24.7Very low29.6Very low191 Ų191149.2 Ų149.289%0.89381%0.814SS**  trans-42122.1161-64.6165.8165.100111.5
385N32.1Very low29.8Very low147 Ų147148.3 Ų148.379%0.78680%0.804SS**  trans-144.5106.3158-92-38.1000108.5A383A383-N385 PolarHBondContact O-N 2.97Å
386H31.2Very low29.6Very low161 Ų161150.4 Ų150.475%0.74580%0.799SS**  trans22.2119.7144-72.7-72.3000120.1
387D27.5Very low29.5Very low130 Ų130152.9 Ų152.970%0.69580%0.803SS**  59.8145123.4-61.8-42.9000121
388D31.3Very low29.4Very low147 Ų147149.2 Ų149.279%0.78680%0.802SS**  trans83.786163.4-55.7-25.9000118.2
389K36Very low29.5Very low209 Ų209153.2 Ų153.291%0.90980%0.804SS**  trans-179.866.7132.8-95.1157.5-170.1179.60111.7
390L28.2Very low29.7Very low174 Ų174153.4 Ų153.491%0.91180%0.802SS**  trans-108.886.5162.2-94162000108.2
391N27.6Very low29.7Very low163 Ų163155.2 Ų155.287%0.87280%0.804SS**  trans-153.7139.9161.3-98.1-27.1000108.2
392N31.7Very low29.6Very low155 Ų155151.5 Ų151.583%0.82979%0.793SS**  trans80.9113.6-176.9-124.58.6000111.7
393I34.9Very low29.6Very low129 Ų129153.5 Ų153.566%0.66280%0.796SS**  -163.410550.5-72.3143.6000106.8
394N30.6Very low29.4Very low185 Ų185156.3 Ų156.399%0.98980%0.8SS**  trans-100.878.4159.2-92.30.6000107.1
395G27.8Very low29.4Very low55 Ų55154.9 Ų154.957%0.56780%0.797SS**  trans-118.3121.8174.400000109.8
396R27.8Very low29.1Very low234 Ų234156 Ų15688%0.88380%0.802SS**  trans83.885.3143.2-152.4-177.2-156.2-167.53.5116.7
397F29.4Very low28.8Very low197 Ų197158.4 Ų158.486%0.86481%0.811SS**  -155.8101.7128.5-98.2-75.7000108.1M399F397-M399 PolarHBondContact O-N 3.4Å
398G25.8Very low28.6Very low79 Ų79156.7 Ų156.781%0.81481%0.809SS**  trans-789916900000108.2
399M31.3Very low28.4Very low154 Ų154155.1 Ų155.176%0.75981%0.809SS**  trans-92.2108.7167-77.4-61.6-144.100108.7F397 N401F397-M399 PolarHBondContact O-N 3.4Å; M399-N401 VanDerWaalsContact C-N 3.33Å; M399-N401 PolarHBondContact O-N 3.16Å
400Q26.8Very low28Very low159 Ų159154 Ų15474%0.74381%0.807SS**  trans-73.778.7176-169.179.827.500109.2N402Q400-N402 PolarHBondContact O-N 3.41Å
401N31.2Very low28.5Very low142 Ų142150.7 Ų150.776%0.75980%0.797SS**  trans-93.693.5172.4-75.6-6.3000110M399 F403M399-N401 VanDerWaalsContact C-N 3.33Å; M399-N401 PolarHBondContact O-N 3.16Å; N401-F403 PolarHBondContact O-N 3.16Å; N401-F403 VanDerWaalsContact O-N 3.13Å
402N26.4Very low28.5Very low126 Ų126150.5 Ų150.567%0.67480%0.795SS**  trans-61.4101.8162.9-71.2-23.6000108.8Q400Q400-N402 PolarHBondContact O-N 3.41Å
403F28.3Very low28.2Very low201 Ų201150.4 Ų150.488%0.88280%0.795SS**  trans-119.969.1162.1-119.3-85000108.1N401N401-F403 PolarHBondContact O-N 3.16Å; N401-F403 VanDerWaalsContact O-N 3.13Å
404D25.9Very low27.8Very low145 Ų145154.3 Ų154.378%0.77581%0.807SS**  trans-98.986.9167.8-81.9-36.3000108.3
405L24.8Very low27.6Very low160 Ų160150.6 Ų150.684%0.83880%0.795SS**  trans-167.488.7154.5-139.277.2000110
406L26Very low27.3Very low170 Ų170151.3 Ų151.389%0.8980%0.803SS**  trans179.570.2150.5-95.5154.9000107.5
407K24.9Very low27.3Very low212 Ų212147.4 Ų147.492%0.92280%0.798SS**  trans-107.4101.6159.3-83.8-176.4177.3177.40106.8
408S24.7Very low27Very low95 Ų95147 Ų14766%0.66480%0.798SS**  trans-153.1121.4157.552.30000110
409S27Very low27Very low113 Ų113146.3 Ų146.379%0.7979%0.791SS**  trans67.597.3149.448.80000120
410E27.3Very low26.6Very low185 Ų185147.4 Ų147.486%0.86479%0.794SS**  trans-62-179134.9-64.9-179.9142.100110.9
411P37.6Very low26.5Very low106 Ų106149 Ų14969%0.68880%0.802SS**  -130.5158.5-56.836-21.2000110.8
412D28.3Very low26.1Very low158 Ų158146.2 Ų146.285%0.84580%0.798SS**  trans-146118.8162.6-97.2-38.1000113.8
413N25.9Very low26.1Very low153 Ų153146.3 Ų146.382%0.81880%0.803SS**  trans-0.4117148.3-83.1-32.4000116.8
414F25.2Very low26.2Very low211 Ų211143 Ų14393%0.92580%0.8SS**  trans-122.1119.4144.6-115.6-91.6000111.3
415C26.2Very low26.5Very low107 Ų107144 Ų14472%0.72381%0.805SS**  trans-60.4143.2-175.5-176.30000112.9I417C415-I417 PolarHBondContact O-N 2.99Å
416G22.4Very low26.9Very low71 Ų71143.9 Ų143.973%0.73281%0.805SS**  trans-64127.2167.200000111.2
417I27.7Very low27.4Very low152 Ų152144.8 Ų144.878%0.77980%0.802SS**  trans-106.3108.9169.5-65.3176.9000107.7C415 G419C415-I417 PolarHBondContact O-N 2.99Å; I417-G419 PolarHBondContact O-N 3.45Å
418Q22.7Very low28.4Very low188 Ų188138.3 Ų138.388%0.87978%0.784SS**  trans-70.595.4166.9-158.893.6-7.400108
419G26.3Very low29.1Very low64 Ų64141 Ų14166%0.6679%0.785SS**  trans-114.997.3177.900000111.5I417 H421I417-G419 PolarHBondContact O-N 3.45Å; G419-H421 PolarHBondContact O-N 2.97Å
420Q22.5Very low30.2Very low178 Ų178142.1 Ų142.183%0.83278%0.782SS**  trans-69.8106.4167.1-67.7175.3-600109
421H25.9Very low31.4Very low193 Ų193135 Ų13589%0.89476%0.759SS**  trans-142.5122.9157.5-91.3-72.4000111G419G419-H421 PolarHBondContact O-N 2.97Å
422A21.6Very low32.5Very low83 Ų83135.6 Ų135.669%0.68675%0.752SS**  trans-71.4162.4175.500000111.9
423T26Very low34.3Very low128 Ų128130.8 Ų130.879%0.78573%0.728SS**  trans67.295.516164.40000117.5
424T30.2Very low36.4Very low132 Ų132126.2 Ų126.281%0.8171%0.708SS**  167.395.3127.3370000108.2N426T424-N426 PolarHBondContact O-N 3.26Å
425N32.3Very low38.9Very low166 Ų166120.6 Ų120.689%0.88869%0.691SS**THydrogen-bonded Turntrans-60.2104.1174-83.5-14.2000109.2
426N34.6Very low41.3Very low156 Ų156120.2 Ų120.283%0.83468%0.675SS**THydrogen-bonded Turntrans179.8-4.4152.8-93.8-10.3000113.3T424T424-N426 PolarHBondContact O-N 3.26Å
427K35Very low43.8Very low190 Ų190121.3 Ų121.383%0.82666%0.663SS**SBendtrans-91.5-1.4-180-75.5-177.2176.91780116
428S46.2Very low46.3Very low76 Ų76119.4 Ų119.453%0.53165%0.653SS.*Hα-helixtrans-72.9-35-174.5-1700000113.7N430 G431 H432S428-N430 PolarHBondContact O-N 3.32Å; S428-G431 PolarHBondContact O-N 3.28Å; S428-H432 PolarHBondContact O-CD2 3.41Å; S428-H432 PolarHBondContact O-N 3.03Å
429H40.8Very low49.2Very low150 Ų150113 Ų11369%0.69462%0.623SS**Hα-helixtrans-67.9-36.5-173.6-71-45.8000114.2G431 H432 T433H429-G431 VanDerWaalsContact C-N 3.3Å; H429-G431 PolarHBondContact O-N 3.05Å; H429-H432 PolarHBondContact O-N 3.18Å; H429-T433 PolarHBondContact O-N 2.88Å; H429-T433 VanDerWaalsContact O-N 3.11Å; H429-T433 PolarHBondContact O-OG1 2.93Å; H429-T433 VanDerWaalsContact O-OG1 3.13Å
430N50Low51.8Low138 Ų138110.9 Ų110.974%0.73860%0.601SS**Hα-helixtrans-66.1-33.9179-112.912.4000112.5S428 S434S428-N430 PolarHBondContact O-N 3.32Å; N430-S434 PolarHBondContact O-N 2.92Å; N430-S434 VanDerWaalsContact O-N 3.1Å; N430-S434 PolarHBondContact O-OG 3.29Å
431G52.4Low54.4Low36 Ų36107 Ų10737%0.37159%0.585SS.*Hα-helixtrans-68.4-42.9176.300000112.5S428 H429 S434 V435S428-G431 PolarHBondContact O-N 3.28Å; H429-G431 VanDerWaalsContact C-N 3.3Å; H429-G431 PolarHBondContact O-N 3.05Å; G431-S434 PolarHBondContact O-N 3.46Å; G431-S434 PolarHBondContact O-OG 2.86Å; G431-S434 VanDerWaalsContact O-OG 3.04Å; G431-V435 WeakPolarHBondContact O-CB 3.48Å; G431-V435 WeakPolarHBondContact O-CG2 3.34Å; G431-V435 PolarHBondContact O-N 3.19Å
432H61.1Low57.3Low118 Ų118103.2 Ų103.255%0.54656%0.563SS.*Hα-helixtrans-65.7-40.2177.6-80.4-74.5000112.4S428 H429 R436S428-H432 PolarHBondContact O-CD2 3.41Å; S428-H432 PolarHBondContact O-N 3.03Å; H429-H432 PolarHBondContact O-N 3.18Å; H432-R436 WeakPolarHBondContact O-CG 3.2Å; H432-R436 PolarHBondContact O-N 3.37Å
433T65.4Low60.4Low56 Ų5699.4 Ų99.434%0.34453%0.531SS..Hα-helixtrans-65.4-45.2177.4-56.30000111.7H429 V435 R436 I437 L542H429-T433 PolarHBondContact O-N 2.88Å; H429-T433 VanDerWaalsContact O-N 3.11Å; H429-T433 PolarHBondContact O-OG1 2.93Å; H429-T433 VanDerWaalsContact O-OG1 3.13Å; T433-V435 PolarHBondContact O-N 2.81Å; T433-R436 PolarHBondContact O-N 2.89Å; T433-I437 HydrophobicContact CG2-CD1 3.99Å; T433-I437 WeakPolarHBondContact O-CG1 3.49Å; T433-I437 PolarHBondContact O-N 2.92Å; T433-L542 HydrophobicContact CG2-CD2 4.04Å
434S70.5Confident63.1Low57 Ų5798.9 Ų98.940%0.39952%0.518SS..Hα-helixtrans-63.1-42178.570.70000111.9N430 G431 R436 I437 I438N430-S434 PolarHBondContact O-N 2.92Å; N430-S434 VanDerWaalsContact O-N 3.1Å; N430-S434 PolarHBondContact O-OG 3.29Å; G431-S434 PolarHBondContact O-N 3.46Å; G431-S434 PolarHBondContact O-OG 2.86Å; G431-S434 VanDerWaalsContact O-OG 3.04Å; S434-R436 VanDerWaalsContact C-N 3.34Å; S434-R436 PolarHBondContact O-N 3.26Å; S434-I437 PolarHBondContact O-N 3.24Å; S434-I438 VanDerWaalsContact O-CG1 3.26Å; S434-I438 WeakPolarHBondContact O-CG1 3.35Å; S434-I438 PolarHBondContact O-N 3Å
435V76.5Confident65.7Low94 Ų9496.6 Ų96.657%0.5750%0.501SS*.Hα-helixtrans-61.4-41.2175.9171.60000111.4G431 T433 I438 E439G431-V435 WeakPolarHBondContact O-CB 3.48Å; G431-V435 WeakPolarHBondContact O-CG2 3.34Å; G431-V435 PolarHBondContact O-N 3.19Å; T433-V435 PolarHBondContact O-N 2.81Å; V435-I438 PolarHBondContact O-N 3.4Å; V435-E439 WeakPolarHBondContact O-CB 3.36Å; V435-E439 PolarHBondContact O-N 2.89Å
436R78.2Confident68.4Low99 Ų9992.4 Ų92.437%0.37448%0.476SS..Hα-helixtrans-67.8-38.1176.5-71.1-149-162.6-155.816113.3H432 T433 S434 E439 G440 D538 S541 L542H432-R436 WeakPolarHBondContact O-CG 3.2Å; H432-R436 PolarHBondContact O-N 3.37Å; T433-R436 PolarHBondContact O-N 2.89Å; S434-R436 VanDerWaalsContact C-N 3.34Å; S434-R436 PolarHBondContact O-N 3.26Å; R436-E439 PolarHBondContact O-N 3.44Å; R436-G440 PolarHBondContact O-N 3.29Å; R436-D538 IonicContact NH1-OD1 3.71Å; R436-D538 PolarHBondContact NH1-OD1 3.44Å; R436-S541 PolarHBondContact NH1-OG 3Å; R436-L542 HydrophobicContact CB-CD1 4.39Å
437I74.7Confident70.9Confident93 Ų9385.4 Ų85.448%0.47744%0.439SS..Hα-helixtrans-63.9-45.3175.9-68.2168.3000110.2T433 S434 E439 G440 I441T433-I437 HydrophobicContact CG2-CD1 3.99Å; T433-I437 WeakPolarHBondContact O-CG1 3.49Å; T433-I437 PolarHBondContact O-N 2.92Å; S434-I437 PolarHBondContact O-N 3.24Å; I437-E439 VanDerWaalsContact C-N 3.34Å; I437-E439 PolarHBondContact O-N 3.28Å; I437-G440 PolarHBondContact O-N 3.34Å; I437-I441 HydrophobicContact CG2-CD1 4.09Å; I437-I441 WeakPolarHBondContact O-CG1 3.5Å; I437-I441 PolarHBondContact O-N 2.91Å
438I80.5Confident73.2Confident113 Ų11379.5 Ų79.558%0.57942%0.417SS*.Hα-helixtrans-60.3-45.2177.4-67.9165.1000110.5S434 V435 G440 I441 R442S434-I438 VanDerWaalsContact O-CG1 3.26Å; S434-I438 WeakPolarHBondContact O-CG1 3.35Å; S434-I438 PolarHBondContact O-N 3Å; V435-I438 PolarHBondContact O-N 3.4Å; I438-G440 PolarHBondContact O-N 3.35Å; I438-I441 PolarHBondContact O-N 3.27Å; I438-R442 PolarHBondContact O-N 2.86Å
439E82.2Confident75.4Confident53 Ų5382.4 Ų82.425%0.24842%0.422CS..Hα-helixtrans-62.9-40.7176179.464.3178.600111.9V435 R436 I437 I441 R442 L443 R534V435-E439 WeakPolarHBondContact O-CB 3.36Å; V435-E439 PolarHBondContact O-N 2.89Å; R436-E439 PolarHBondContact O-N 3.44Å; I437-E439 VanDerWaalsContact C-N 3.34Å; I437-E439 PolarHBondContact O-N 3.28Å; E439-I441 PolarHBondContact O-N 3.47Å; E439-R442 VanDerWaalsContact CD-NH2 3.31Å; E439-R442 WeakPolarHBondContact O-CB 3.32Å; E439-R442 PolarHBondContact O-N 3.42Å; E439-R442 IonicContact OE1-CZ 3.43Å; E439-R442 IonicContact OE1-NE 2.75Å; E439-R442 IonicContact OE1-NH2 3.28Å; E439-R442 PolarHBondContact OE1-NH2 3.46Å; E439-R442 IonicContact OE2-CZ 2.98Å; E439-R442 IonicContact OE2-NE 2.67Å; E439-R442 PolarHBondContact OE2-NE 3.24Å; E439-R442 IonicContact OE2-NH2 3.6Å; E439-R442 PolarHBondContact OE2-NH2 3.14Å; E439-L443 HydrophobicContact CG-CD1 4.22Å; E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 3.14Å; E439-R534 IonicContact OE1-NH2 3.87Å
440G80.4Confident77.8Confident19 Ų1976.3 Ų76.320%0.19639%0.394CS..Hα-helixtrans-59.7-44.2174.700000112.9R436 I437 I438 R442 L443 F444R436-G440 PolarHBondContact O-N 3.29Å; I437-G440 PolarHBondContact O-N 3.34Å; I438-G440 PolarHBondContact O-N 3.35Å; G440-R442 VanDerWaalsContact C-N 3.34Å; G440-R442 PolarHBondContact O-N 3.46Å; G440-L443 PolarHBondContact O-N 3.02Å; G440-F444 WeakPolarHBondContact O-CB 3.46Å; G440-F444 PolarHBondContact O-N 3.46Å
441I78.9Confident79.7Confident97 Ų9772.2 Ų72.250%0.49737%0.372SS..Hα-helixtrans-62.8-41.8175.3-66.6167000110.7I437 I438 E439 F444 N445I437-I441 HydrophobicContact CG2-CD1 4.09Å; I437-I441 WeakPolarHBondContact O-CG1 3.5Å; I437-I441 PolarHBondContact O-N 2.91Å; I438-I441 PolarHBondContact O-N 3.27Å; E439-I441 PolarHBondContact O-N 3.47Å; I441-F444 PolarHBondContact O-N 2.86Å; I441-N445 PolarHBondContact O-N 2.92Å; I441-N445 PolarHBondContact O-ND2 3.49Å
442R85.6Confident81.6Confident114 Ų11477.1 Ų77.143%0.4338%0.383SS..Hα-helixtrans-61-47.3177.1-168.9-169.467.372.4-1.6111.6I438 E439 G440 F444 N445 Q446I438-R442 PolarHBondContact O-N 2.86Å; E439-R442 VanDerWaalsContact CD-NH2 3.31Å; E439-R442 WeakPolarHBondContact O-CB 3.32Å; E439-R442 PolarHBondContact O-N 3.42Å; E439-R442 IonicContact OE1-CZ 3.43Å; E439-R442 IonicContact OE1-NE 2.75Å; E439-R442 IonicContact OE1-NH2 3.28Å; E439-R442 PolarHBondContact OE1-NH2 3.46Å; E439-R442 IonicContact OE2-CZ 2.98Å; E439-R442 IonicContact OE2-NE 2.67Å; E439-R442 PolarHBondContact OE2-NE 3.24Å; E439-R442 IonicContact OE2-NH2 3.6Å; E439-R442 PolarHBondContact OE2-NH2 3.14Å; G440-R442 VanDerWaalsContact C-N 3.34Å; G440-R442 PolarHBondContact O-N 3.46Å; R442-F444 VanDerWaalsContact C-N 3.35Å; R442-N445 PolarHBondContact O-N 3.01Å; R442-Q446 WeakPolarHBondContact O-CB 3.35Å; R442-Q446 PolarHBondContact O-N 2.98Å
443L86Confident83.1Confident3 Ų375.1 Ų75.12%0.01638%0.376CS..Hα-helixtrans-64.2-38.9177.2-67.5171.5000111.9E439 G440 Q446 S447 L531 R534 V535E439-L443 HydrophobicContact CG-CD1 4.22Å; E439-L443 WeakPolarHBondContact O-CG 3.36Å; E439-L443 PolarHBondContact O-N 3.14Å; G440-L443 PolarHBondContact O-N 3.02Å; L443-Q446 PolarHBondContact O-N 3.31Å; L443-S447 PolarHBondContact O-N 3.13Å; L443-L531 HydrophobicContact CD2-CD2 3.66Å; L443-R534 HydrophobicContact CD1-CG 4.25Å; L443-V535 HydrophobicContact CB-CG2 3.65Å; L443-V535 HydrophobicContact CD1-CG2 4.07Å
444F83.4Confident84.4Confident116 Ų11674 Ų7451%0.50937%0.368SS..Hα-helixtrans-61.4-48.1175.3178.8-102.4000111.6G440 I441 R442 Q446 S447 N448G440-F444 WeakPolarHBondContact O-CB 3.46Å; G440-F444 PolarHBondContact O-N 3.46Å; I441-F444 PolarHBondContact O-N 2.86Å; R442-F444 VanDerWaalsContact C-N 3.35Å; F444-Q446 VanDerWaalsContact C-N 3.33Å; F444-Q446 PolarHBondContact O-N 2.89Å; F444-S447 WeakPolarHBondContact O-CB 3.34Å; F444-S447 PolarHBondContact O-N 2.95Å; F444-S447 VanDerWaalsContact O-N 3.13Å; F444-S447 PolarHBondContact O-OG 3.21Å; F444-N448 WeakPolarHBondContact CD1-ND2 3.4Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.37Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.31Å; F444-N448 PolarHBondContact O-N 3.23Å; F444-N448 PolarHBondContact O-ND2 3.47Å
445N85Confident85.4Confident85 Ų8577 Ų7746%0.45538%0.375SS..Hα-helixtrans-61.7-40.9176.5-73.9-27.2000112.3I441 R442 S447 N448 Q449I441-N445 PolarHBondContact O-N 2.92Å; I441-N445 PolarHBondContact O-ND2 3.49Å; R442-N445 PolarHBondContact O-N 3.01Å; N445-S447 VanDerWaalsContact C-N 3.31Å; N445-S447 PolarHBondContact O-N 3.32Å; N445-N448 PolarHBondContact O-N 3.39Å; N445-Q449 PolarHBondContact O-N 2.87Å
446Q88.5Confident86Confident77 Ų7776.8 Ų76.836%0.3637%0.371SS..Hα-helixtrans-61.8-39.3174.1-171.2176.4-0.900111.9R442 L443 F444 Q449 L450 L531R442-Q446 WeakPolarHBondContact O-CB 3.35Å; R442-Q446 PolarHBondContact O-N 2.98Å; L443-Q446 PolarHBondContact O-N 3.31Å; F444-Q446 VanDerWaalsContact C-N 3.33Å; F444-Q446 PolarHBondContact O-N 2.89Å; Q446-Q449 PolarHBondContact O-N 2.95Å; Q446-L450 HydrophobicContact CG-CD1 4.5Å; Q446-L450 PolarHBondContact O-N 3.09Å; Q446-L450 VanDerWaalsContact O-N 3.17Å; Q446-L531 HydrophobicContact CB-CD1 4.41Å; Q446-L531 HydrophobicContact CG-CD1 4.06Å
447S87.5Confident86.5Confident9 Ų973 Ų736%0.06336%0.358CS..Hα-helixtrans-64.1-39.9176.480.10000112.3L443 F444 N445 Q449 L450 I451L443-S447 PolarHBondContact O-N 3.13Å; F444-S447 WeakPolarHBondContact O-CB 3.34Å; F444-S447 PolarHBondContact O-N 2.95Å; F444-S447 VanDerWaalsContact O-N 3.13Å; F444-S447 PolarHBondContact O-OG 3.21Å; N445-S447 VanDerWaalsContact C-N 3.31Å; N445-S447 PolarHBondContact O-N 3.32Å; S447-Q449 VanDerWaalsContact C-N 3.34Å; S447-Q449 PolarHBondContact O-N 3.18Å; S447-L450 PolarHBondContact O-N 2.67Å; S447-I451 VanDerWaalsContact O-CG1 3.27Å; S447-I451 WeakPolarHBondContact O-CG1 3.25Å; S447-I451 PolarHBondContact O-N 2.82Å
448N84.5Confident87.2Confident67 Ų6773 Ų7336%0.35836%0.358SS..Hα-helixtrans-65.1-36.3177.5-72.2-36.1000112.4F444 N445 I451 K452F444-N448 WeakPolarHBondContact CD1-ND2 3.4Å; F444-N448 WeakPolarHBondContact CE1-ND2 3.37Å; F444-N448 WeakPolarHBondContact CZ-ND2 3.31Å; F444-N448 PolarHBondContact O-N 3.23Å; F444-N448 PolarHBondContact O-ND2 3.47Å; N445-N448 PolarHBondContact O-N 3.39Å; N448-I451 PolarHBondContact O-N 3.42Å; N448-K452 PolarHBondContact O-N 3.23Å
449Q90.5Very high87.6Confident137 Ų13770.1 Ų70.164%0.6435%0.348SS*.Hα-helixtrans-65.3-43174.4-69.8178.9-9.800111.9N445 Q446 S447 K452 L453N445-Q449 PolarHBondContact O-N 2.87Å; Q446-Q449 PolarHBondContact O-N 2.95Å; S447-Q449 VanDerWaalsContact C-N 3.34Å; S447-Q449 PolarHBondContact O-N 3.18Å; Q449-K452 PolarHBondContact O-N 3.34Å; Q449-L453 PolarHBondContact O-N 3.22Å; Q449-L453 VanDerWaalsContact O-N 3.17Å
450L91.4Very high87.8Confident21 Ų2170.8 Ų70.811%0.1135%0.353CS..Hα-helixtrans-66.5-37.3176.7-77160.4000112.7Q446 S447 K452 L453 L454 Y524 L527 V528 L531Q446-L450 HydrophobicContact CG-CD1 4.5Å; Q446-L450 PolarHBondContact O-N 3.09Å; Q446-L450 VanDerWaalsContact O-N 3.17Å; S447-L450 PolarHBondContact O-N 2.67Å; L450-K452 VanDerWaalsContact C-N 3.27Å; L450-K452 PolarHBondContact O-N 2.68Å; L450-L453 PolarHBondContact O-N 3.49Å; L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 PolarHBondContact O-N 3.16Å; L450-Y524 HydrophobicContact CD2-CD1 3.83Å; L450-Y524 HydrophobicContact CD2-CE1 4.44Å; L450-L527 HydrophobicContact CD1-CB 4.07Å; L450-L527 HydrophobicContact CD2-CB 4.33Å; L450-L527 HydrophobicContact CD2-CD1 4.09Å; L450-V528 HydrophobicContact CB-CG2 3.53Å; L450-L531 HydrophobicContact CD1-CD1 3.42Å; L450-L531 VanDerWaalsContact CD1-CD1 3.42Å
451I91Very high88.1Confident53 Ų5370.6 Ų70.627%0.27235%0.347SS..Hα-helixtrans-60.7-39.5174.7-71164.9000110.7S447 N448 L454 Q455 V528S447-I451 VanDerWaalsContact O-CG1 3.27Å; S447-I451 WeakPolarHBondContact O-CG1 3.25Å; S447-I451 PolarHBondContact O-N 2.82Å; N448-I451 PolarHBondContact O-N 3.42Å; I451-L454 WeakPolarHBondContact O-CB 3.33Å; I451-L454 PolarHBondContact O-N 3.38Å; I451-Q455 PolarHBondContact O-N 3.22Å; I451-V528 HydrophobicContact CD1-CG1 4.3Å; I451-V528 HydrophobicContact CG1-CG1 3.97Å; I451-V528 HydrophobicContact CG1-CG2 3.98Å
452K91.4Very high88.4Confident139 Ų13968.2 Ų68.260%0.60434%0.342SS*.Hα-helixtrans-65-44.4176.8-163.9172.1-176.4175.30111.9N448 Q449 L450 L454 Q455 D456N448-K452 PolarHBondContact O-N 3.23Å; Q449-K452 PolarHBondContact O-N 3.34Å; L450-K452 VanDerWaalsContact C-N 3.27Å; L450-K452 PolarHBondContact O-N 2.68Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 2.95Å; K452-Q455 WeakPolarHBondContact O-CB 3.39Å; K452-Q455 PolarHBondContact O-N 3.09Å; K452-D456 PolarHBondContact O-N 3.48Å
453L92.4Very high88.4Confident76 Ų7668.4 Ų68.440%0.39835%0.346SS..Hα-helixtrans-62-39.7174.5-68.7172.4000112.5Q449 L450 D456 E457 Y524Q449-L453 PolarHBondContact O-N 3.22Å; Q449-L453 VanDerWaalsContact O-N 3.17Å; L450-L453 PolarHBondContact O-N 3.49Å; L453-D456 PolarHBondContact O-N 3.15Å; L453-E457 PolarHBondContact O-N 3.18Å; L453-E457 VanDerWaalsContact O-N 3.08Å; L453-Y524 HydrophobicContact CB-CD2 4.05Å; L453-Y524 HydrophobicContact CB-CE1 4.47Å; L453-Y524 HydrophobicContact CB-CE2 3.91Å; L453-Y524 HydrophobicContact CB-CG 4.4Å; L453-Y524 HydrophobicContact CD1-CE1 4.18Å
454L92.5Very high88.2Confident33 Ų3369.3 Ų69.317%0.17335%0.35CS..Hα-helixtrans-62-43.4174.6177.762.4000111.4L450 I451 K452 D456 E457 L458 A521 A525L450-L454 WeakPolarHBondContact O-CB 3.48Å; L450-L454 PolarHBondContact O-N 3.16Å; I451-L454 WeakPolarHBondContact O-CB 3.33Å; I451-L454 PolarHBondContact O-N 3.38Å; K452-L454 VanDerWaalsContact C-N 3.33Å; K452-L454 PolarHBondContact O-N 2.95Å; L454-D456 VanDerWaalsContact C-N 3.31Å; L454-D456 PolarHBondContact O-N 3.31Å; L454-E457 PolarHBondContact O-N 3.32Å; L454-L458 HydrophobicContact CD1-CD1 4.34Å; L454-L458 HydrophobicContact CD1-CG 4.35Å; L454-L458 HydrophobicContact CG-CD1 4.1Å; L454-L458 WeakPolarHBondContact O-CB 2.76Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.3Å; L454-L458 PolarHBondContact O-N 3.06Å; L454-A521 HydrophobicContact CD1-CB 4.02Å; L454-A521 WeakPolarHBondContact CD1-O 3.36Å; L454-A525 HydrophobicContact CD1-CB 4.3Å; L454-A525 HydrophobicContact CD2-CB 4.24Å
455Q91.8Very high88Confident118 Ų11870 Ų7055%0.55135%0.353SS*.Hα-helixtrans-62-38.6175.7-80.1172.9-34.400112.3I451 K452 L458 S459I451-Q455 PolarHBondContact O-N 3.22Å; K452-Q455 WeakPolarHBondContact O-CB 3.39Å; K452-Q455 PolarHBondContact O-N 3.09Å; Q455-L458 PolarHBondContact O-N 3.4Å; Q455-S459 WeakPolarHBondContact O-CB 3.37Å; Q455-S459 PolarHBondContact O-N 3.08Å
456D89.8Confident87.5Confident90 Ų9073.5 Ų73.548%0.48136%0.36SS..Hα-helixtrans-64.6-44.4176.9-70.9-24.5000111.8K452 L453 L454 S459 I460K452-D456 PolarHBondContact O-N 3.48Å; L453-D456 PolarHBondContact O-N 3.15Å; L454-D456 VanDerWaalsContact C-N 3.31Å; L454-D456 PolarHBondContact O-N 3.31Å; D456-S459 WeakPolarHBondContact O-CB 3.37Å; D456-S459 PolarHBondContact O-N 3.01Å; D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.02Å
457E88.2Confident86.7Confident20 Ų2073 Ų739%0.09337%0.365CS..Hα-helixtrans-66.1-39.9175.6-70.1-64.7167.500112.4L453 L454 S459 I460 L461 A517 R520 A521 Y524L453-E457 PolarHBondContact O-N 3.18Å; L453-E457 VanDerWaalsContact O-N 3.08Å; L454-E457 PolarHBondContact O-N 3.32Å; E457-S459 VanDerWaalsContact C-N 3.26Å; E457-S459 PolarHBondContact O-N 2.84Å; E457-I460 WeakPolarHBondContact O-CB 3.45Å; E457-I460 PolarHBondContact O-N 3.29Å; E457-I460 VanDerWaalsContact O-N 3.16Å; E457-L461 WeakPolarHBondContact O-CG 3.3Å; E457-L461 PolarHBondContact O-N 3.18Å; E457-A517 WeakPolarHBondContact OE2-CA 3.38Å; E457-A517 WeakPolarHBondContact OE2-CB 3.41Å; E457-R520 HydrophobicContact CG-CB 4.19Å; E457-R520 IonicContact OE1-CZ 3.32Å; E457-R520 IonicContact OE1-NE 3.29Å; E457-R520 PolarHBondContact OE1-NE 3.05Å; E457-R520 IonicContact OE1-NH2 3.45Å; E457-R520 PolarHBondContact OE1-NH2 3.35Å; E457-R520 IonicContact OE2-CZ 3.06Å; E457-R520 IonicContact OE2-NE 3.24Å; E457-R520 IonicContact OE2-NH2 3.92Å; E457-R520 PolarHBondContact OE2-NH2 3.48Å; E457-A521 HydrophobicContact CB-CB 3.99Å; E457-Y524 HydrophobicContact CG-CD2 4.09Å; E457-Y524 HydrophobicContact CG-CE2 3.79Å
458L90.9Very high85.6Confident93 Ų9377.5 Ų77.549%0.48739%0.388SS..Hα-helixtrans-62.5-35.5173.8-71.3173000111.8L454 Q455 L461 A462L454-L458 HydrophobicContact CD1-CD1 4.34Å; L454-L458 HydrophobicContact CD1-CG 4.35Å; L454-L458 HydrophobicContact CG-CD1 4.1Å; L454-L458 WeakPolarHBondContact O-CB 2.76Å; L454-L458 VanDerWaalsContact O-CG 3.27Å; L454-L458 WeakPolarHBondContact O-CG 3.3Å; L454-L458 PolarHBondContact O-N 3.06Å; Q455-L458 PolarHBondContact O-N 3.4Å; L458-L461 HydrophobicContact CD2-CD1 4.33Å; L458-L461 PolarHBondContact O-N 3.36Å; L458-A462 WeakPolarHBondContact O-CB 3.44Å; L458-A462 PolarHBondContact O-N 2.8Å
459S87.2Confident84Confident52 Ų5280.4 Ų80.436%0.36440%0.4SS..Hα-helixtrans-64.9-40.7173.5-175.90000111.8Q455 D456 E457 A462 K463Q455-S459 WeakPolarHBondContact O-CB 3.37Å; Q455-S459 PolarHBondContact O-N 3.08Å; D456-S459 WeakPolarHBondContact O-CB 3.37Å; D456-S459 PolarHBondContact O-N 3.01Å; E457-S459 VanDerWaalsContact C-N 3.26Å; E457-S459 PolarHBondContact O-N 2.84Å; S459-A462 PolarHBondContact O-N 3Å; S459-K463 WeakPolarHBondContact O-CG 3.13Å; S459-K463 PolarHBondContact O-N 3.07Å
460I87.9Confident81.9Confident68 Ų6878.4 Ų78.435%0.34940%0.401SS..Hα-helixtrans-63-48.5173.7-66.6166.6000110.5D456 E457 A462 K463 I464 A517D456-I460 WeakPolarHBondContact O-CG1 3.36Å; D456-I460 PolarHBondContact O-N 3.02Å; E457-I460 WeakPolarHBondContact O-CB 3.45Å; E457-I460 PolarHBondContact O-N 3.29Å; E457-I460 VanDerWaalsContact O-N 3.16Å; I460-A462 VanDerWaalsContact C-N 3.3Å; I460-A462 PolarHBondContact O-N 2.86Å; I460-K463 WeakPolarHBondContact O-CB 3.32Å; I460-K463 PolarHBondContact O-N 2.95Å; I460-K463 VanDerWaalsContact O-N 3.08Å; I460-I464 HydrophobicContact CG2-CD1 3.85Å; I460-I464 HydrophobicContact CG2-CG1 4.43Å; I460-I464 WeakPolarHBondContact O-CG1 3.45Å; I460-I464 PolarHBondContact O-N 3.29Å; I460-A517 HydrophobicContact CG2-CB 4.27Å
461L86.4Confident79.5Confident15 Ų1582.4 Ų82.48%0.07943%0.426CS..Hα-helixtrans-59-41.1177.4-70.1167.1000111.9E457 L458 K463 I464 K465 F514 A517 L518 A521E457-L461 WeakPolarHBondContact O-CG 3.3Å; E457-L461 PolarHBondContact O-N 3.18Å; L458-L461 HydrophobicContact CD2-CD1 4.33Å; L458-L461 PolarHBondContact O-N 3.36Å; L461-K463 VanDerWaalsContact C-N 3.34Å; L461-K463 PolarHBondContact O-N 3.35Å; L461-I464 PolarHBondContact O-N 2.86Å; L461-K465 WeakPolarHBondContact O-CB 3.46Å; L461-K465 PolarHBondContact O-N 3.47Å; L461-F514 HydrophobicContact CD2-CD2 3.47Å; L461-F514 VanDerWaalsContact CD2-CD2 3.47Å; L461-F514 HydrophobicContact CD2-CE2 3.48Å; L461-F514 VanDerWaalsContact CD2-CE2 3.48Å; L461-F514 HydrophobicContact CD2-CG 4.16Å; L461-F514 HydrophobicContact CD2-CZ 4.17Å; L461-A517 HydrophobicContact CD2-CB 3.82Å; L461-A517 HydrophobicContact CG-CB 4.12Å; L461-L518 HydrophobicContact CD1-CD1 4.25Å; L461-L518 HydrophobicContact CD2-CB 4.18Å; L461-A521 HydrophobicContact CD1-CB 4.12Å
462A84.8Confident76.7Confident47 Ų4787.4 Ų87.439%0.38845%0.453SS..Hα-helixtrans-67.7-31.317600000113.2L458 S459 I460 R466L458-A462 WeakPolarHBondContact O-CB 3.44Å; L458-A462 PolarHBondContact O-N 2.8Å; S459-A462 PolarHBondContact O-N 3Å; I460-A462 VanDerWaalsContact C-N 3.3Å; I460-A462 PolarHBondContact O-N 2.86Å; A462-R466 PolarHBondContact O-N 3.28Å; A462-R466 PolarHBondContact O-NE 2.96Å
463K85.1Confident73.7Confident117 Ų11785.3 Ų85.351%0.50946%0.456SS..Hα-helixtrans-68.9-48.1171.7-73.8171.7-174.8176.10110.7S459 I460 L461 K465 R466 S467S459-K463 WeakPolarHBondContact O-CG 3.13Å; S459-K463 PolarHBondContact O-N 3.07Å; I460-K463 WeakPolarHBondContact O-CB 3.32Å; I460-K463 PolarHBondContact O-N 2.95Å; I460-K463 VanDerWaalsContact O-N 3.08Å; L461-K463 VanDerWaalsContact C-N 3.34Å; L461-K463 PolarHBondContact O-N 3.35Å; K463-K465 VanDerWaalsContact C-N 3.31Å; K463-K465 PolarHBondContact O-N 2.96Å; K463-R466 PolarHBondContact O-N 3.41Å; K463-S467 PolarHBondContact O-N 3.45Å; K463-S467 PolarHBondContact O-OG 3.31Å; K463-S467 VanDerWaalsContact O-OG 3.04Å
464I81.9Confident70.8Confident23 Ų2390 Ų9012%0.11848%0.48CS..Hα-helixtrans-58.9-43.3178.5-65.1167.8000110.9I460 L461 R466 S467 N468 F514I460-I464 HydrophobicContact CG2-CD1 3.85Å; I460-I464 HydrophobicContact CG2-CG1 4.43Å; I460-I464 WeakPolarHBondContact O-CG1 3.45Å; I460-I464 PolarHBondContact O-N 3.29Å; L461-I464 PolarHBondContact O-N 2.86Å; I464-R466 PolarHBondContact O-N 3.43Å; I464-S467 WeakPolarHBondContact O-CB 3.27Å; I464-S467 PolarHBondContact O-N 3.18Å; I464-N468 PolarHBondContact O-N 3.43Å; I464-F514 HydrophobicContact CG2-CB 4.28Å; I464-F514 HydrophobicContact CG2-CD2 4.07Å
465K80.2Confident67.7Low131 Ų13193.5 Ų93.557%0.5751%0.505SS*.Hα-helixtrans-59.2-45.6177.5-172.4178.4177.8-177.20112.3L461 K463 S467 N468 E469L461-K465 WeakPolarHBondContact O-CB 3.46Å; L461-K465 PolarHBondContact O-N 3.47Å; K463-K465 VanDerWaalsContact C-N 3.31Å; K463-K465 PolarHBondContact O-N 2.96Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 2.99Å; K465-N468 PolarHBondContact O-N 2.88Å; K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 PolarHBondContact O-N 2.77Å; K465-E469 VanDerWaalsContact O-N 3.12Å
466R73.6Confident64.4Low158 Ų15894.1 Ų94.160%0.59652%0.517SS*.Hα-helixtrans-64.5-34.7176.9-78.5-176.3-73.7161.7-7.5112.8A462 K463 I464 S470A462-R466 PolarHBondContact O-N 3.28Å; A462-R466 PolarHBondContact O-NE 2.96Å; K463-R466 PolarHBondContact O-N 3.41Å; I464-R466 PolarHBondContact O-N 3.43Å; R466-S470 PolarHBondContact O-N 3.15Å; R466-S470 PolarHBondContact O-OG 3.29Å
467S72.1Confident61.6Low67 Ų6797.8 Ų97.847%0.46954%0.536SS..Hα-helixtrans-67.3-38.8176.2-54.90000112.6K463 I464 K465 S470 T471K463-S467 PolarHBondContact O-N 3.45Å; K463-S467 PolarHBondContact O-OG 3.31Å; K463-S467 VanDerWaalsContact O-OG 3.04Å; I464-S467 WeakPolarHBondContact O-CB 3.27Å; I464-S467 PolarHBondContact O-N 3.18Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 2.99Å; S467-S470 PolarHBondContact O-N 3.37Å; S467-S470 PolarHBondContact O-OG 2.96Å; S467-S470 VanDerWaalsContact O-OG 3.09Å; S467-T471 PolarHBondContact O-OG1 3.44Å
468N63.2Low58.7Low102 Ų102101.6 Ų101.655%0.54557%0.565SS.*Hα-helixtrans-71.5-35.5176.8-78.1-3.6000112.6I464 K465 S470 T471I464-N468 PolarHBondContact O-N 3.43Å; K465-N468 PolarHBondContact O-N 2.88Å; N468-S470 VanDerWaalsContact C-N 3.29Å; N468-S470 PolarHBondContact O-N 2.84Å; N468-T471 PolarHBondContact O-N 2.96Å; N468-T471 PolarHBondContact O-OG1 3.29Å
469E52.6Low55.7Low128 Ų128105.3 Ų105.360%0.59859%0.586SS**Hα-helixtrans-66.9-30.6176.3-76.3173.7-173.700112.4K465 T471K465-E469 WeakPolarHBondContact CE-OE1 3.47Å; K465-E469 PolarHBondContact O-N 2.77Å; K465-E469 VanDerWaalsContact O-N 3.12Å; E469-T471 VanDerWaalsContact C-N 3.34Å; E469-T471 PolarHBondContact O-N 3.28Å
470S45.4Very low52.7Low95 Ų95108.5 Ų108.566%0.66461%0.608SS**THydrogen-bonded Turntrans-80.9-7.5179.837.10000114.6R466 S467 N468R466-S470 PolarHBondContact O-N 3.15Å; R466-S470 PolarHBondContact O-OG 3.29Å; S467-S470 PolarHBondContact O-N 3.37Å; S467-S470 PolarHBondContact O-OG 2.96Å; S467-S470 VanDerWaalsContact O-OG 3.09Å; N468-S470 VanDerWaalsContact C-N 3.29Å; N468-S470 PolarHBondContact O-N 2.84Å
471T41.3Very low50Low105 Ų105109.9 Ų109.964%0.64463%0.629SS**THydrogen-bonded Turntrans-109.23.8178.727.30000114.6S467 N468 E469 S473S467-T471 PolarHBondContact O-OG1 3.44Å; N468-T471 PolarHBondContact O-N 2.96Å; N468-T471 PolarHBondContact O-OG1 3.29Å; E469-T471 VanDerWaalsContact C-N 3.34Å; E469-T471 PolarHBondContact O-N 3.28Å; T471-S473 PolarHBondContact O-N 2.97Å
472L32.5Very low47.1Very low159 Ų159115.3 Ų115.383%0.83266%0.663SS**  trans-78.964.9178.8-124.7107.7000112.5
473S27.7Very low44.4Very low94 Ų94121 Ų12166%0.65769%0.687SS**  trans-152.392.9158.154.60000109.2T471T471-S473 PolarHBondContact O-N 2.97Å
474L31.8Very low41.6Very low174 Ų174124.7 Ų124.791%0.91170%0.703SS**SBendtrans167150.3148-87.4148.1000110.5
475P27.1Very low39Very low107 Ų107130.8 Ų130.870%0.69573%0.734SS**  trans-91.9149.7-15335.5-35.5000115.2
476V23.4Very low36.4Very low132 Ų132130.8 Ų130.880%0.874%0.741SS**  trans20.7101.9143.8-170.30000116
477N30.8Very low34.1Very low166 Ų166128.8 Ų128.889%0.88875%0.751SS**  trans-129.4127.8140.6-101.4-7.4000108.5
478S26.5Very low31.9Very low101 Ų101135.5 Ų135.571%0.70677%0.772SS**  trans-77.7133.1176.140.10000108.6
479D28.3Very low30.2Very low171 Ų171138.9 Ų138.991%0.91479%0.785SS**  trans-147.4114.5150.5-93.7-33.9000109
480S24.6Very low28.8Very low118 Ų118138.2 Ų138.283%0.82579%0.794SS**  trans-75.1125.6174.351.30000110.4
481A31Very low27.9Very low98 Ų98140.9 Ų140.981%0.8180%0.799SS**  trans-142.4101.4159.600000110
482T25Very low27.1Very low129 Ų129142.5 Ų142.579%0.79180%0.804SS**  trans-55.6133.6166.645.90000111.9
483N29Very low26.8Very low166 Ų166141.2 Ų141.289%0.88880%0.803SS**  trans-147.4104.6149.6-88.7-29.4000109.5
484K24.9Very low26.9Very low195 Ų195143.4 Ų143.485%0.84881%0.812SS**  trans-69.4146.8155.3-71.8173.3171.2179.30107.6
485I27.5Very low26.7Very low150 Ų150141.4 Ų141.477%0.76980%0.802SS**  trans-177111.8137.6-88.2145.9000108
486D26.9Very low26.8Very low132 Ų132141.6 Ų141.671%0.70680%0.804SS**  trans54.9113.5136.8-50.5-25.1000122.3
487S24.1Very low27Very low116 Ų116141.7 Ų141.781%0.81180%0.8SS**  trans-32.7123.6148.747.10000114.2
488F26.3Very low26.9Very low207 Ų207142.8 Ų142.891%0.90880%0.797SS**  trans-111.9133.1165.9-124.3-93000111.1
489E26.7Very low27Very low174 Ų174145 Ų14581%0.81380%0.8SS**  trans-85.4154.5-164.3-153.8168.7-168.100111.7
490S24.5Very low27.2Very low114 Ų114142.4 Ų142.480%0.79780%0.796SS**  trans-50.8131-178-50.60000114.7
491I26.5Very low27.3Very low151 Ų151145.3 Ų145.377%0.77480%0.801SS**  trans-128.999.8163.1-64.8177000108.2
492D24.1Very low27.3Very low138 Ų138149.8 Ų149.874%0.73880%0.802SS**  trans-67.7159.9160.2-79.6-46.8000110.3
493T26.6Very low27.4Very low132 Ų132154.2 Ų154.281%0.8181%0.805SS**  trans82.782.4170.767.30000117.5
494V28.9Very low27.6Very low141 Ų141152.8 Ų152.886%0.85580%0.796SS**  trans-133.3118.3152.3-1760000110.1
495D27.9Very low27.7Very low132 Ų132151.6 Ų151.671%0.70680%0.799SS**  trans-60.2128.8178.8-160.80.3000112D497D495-D497 VanDerWaalsContact C-N 3.29Å; D495-D497 PolarHBondContact O-N 3.49Å
496P28.8Very low27.8Very low111 Ų111148.2 Ų148.272%0.72179%0.793SS**SBendtrans-92.847.3-17239.1-35000111.9
497D28Very low28Very low134 Ų134148.3 Ų148.372%0.71780%0.799SS**  trans-140.575.7177.2-99.3-19.2000110.4D495D495-D497 VanDerWaalsContact C-N 3.29Å; D495-D497 PolarHBondContact O-N 3.49Å
498K28.8Very low28.3Very low189 Ų189149.1 Ų149.182%0.82279%0.794SS**SBendtrans171.5116.3149.2-95.2153.2-170.61750112.2S500K498-S500 PolarHBondContact O-N 3.16Å
499N28.7Very low28.7Very low147 Ų147144.8 Ų144.879%0.78679%0.788SS**  trans63.829.7139.2-79.7-15000121.1L501N499-L501 PolarHBondContact O-N 2.89Å
500S32.2Very low29.4Very low117 Ų117144.9 Ų144.982%0.81879%0.786SS**THydrogen-bonded Turntrans-74.7-0.3168.9-600000115.1K498 K502K498-S500 PolarHBondContact O-N 3.16Å; S500-K502 VanDerWaalsContact C-N 3.27Å; S500-K502 PolarHBondContact O-N 2.91Å
501L27.3Very low30.3Very low178 Ų178147.4 Ų147.493%0.93279%0.785SS**THydrogen-bonded Turntrans-80.54178-109.4113.1000115.2N499N499-L501 PolarHBondContact O-N 2.89Å
502K30.3Very low31.8Very low193 Ų193146.7 Ų146.784%0.83978%0.783SS**  trans-114.963.6172.4-69.7-171.4-179.9-178.90111.4S500S500-K502 VanDerWaalsContact C-N 3.27Å; S500-K502 PolarHBondContact O-N 2.91Å
503R28.1Very low34Very low222 Ų222144.6 Ų144.684%0.83877%0.771SS**  trans-12997.6156.3-93.8-170.6170.7169-2112
504L31.7Very low36.7Very low135 Ų135143 Ų14371%0.70775%0.753SS**  trans57.798138.7-75.7101.7000118.6A506L504-A506 PolarHBondContact O-N 2.93Å; L504-A506 VanDerWaalsContact O-N 3.13Å
505D28.4Very low39.4Very low170 Ų170143 Ų14391%0.90974%0.744SS**SBend-40.9104.4122.6-67.9-44.3000110.3
506A29.3Very low42.1Very low79 Ų79139.5 Ų139.565%0.65373%0.727SS**  trans154.170.4152.200000110.2L504L504-A506 PolarHBondContact O-N 2.93Å; L504-A506 VanDerWaalsContact O-N 3.13Å
507V29.8Very low44.8Very low135 Ų135134.3 Ų134.382%0.81869%0.694SS**  trans-111.484.9156-174.70000107.8C509V507-C509 PolarHBondContact O-N 3.44Å
508N31.6Very low47.7Very low133 Ų133131.6 Ų131.671%0.71168%0.679SS**  trans-44.6122.9163.9-176.816.4000110.2K510N508-K510 PolarHBondContact O-N 3.06Å
509C34Very low50.7Low115 Ų115128.1 Ų128.178%0.77767%0.666SS**SBendtrans-68.483.5-178.5-49.80000111.1V507V507-C509 PolarHBondContact O-N 3.44Å
510K42.9Very low53.5Low177 Ų177125.4 Ų125.477%0.7764%0.644SS**  trans-140.5-2.1169.3-78.2-158.3175.1-177.70118.5N508N508-K510 PolarHBondContact O-N 3.06Å
511E42.9Very low56.4Low166 Ų166120.1 Ų120.178%0.77661%0.608SS**  trans-132.194.7174.5-73179.9171.300110.7N513E511-N513 PolarHBondContact O-N 3.48Å
512N57.7Low59.4Low137 Ų137115.4 Ų115.473%0.73359%0.586SS**  trans-76.457.7179.2-69.9-22.9000111.6F514N512-F514 PolarHBondContact O-N 2.94Å
513N70.3Confident62.4Low94 Ų94110.9 Ų110.950%0.50357%0.568SS.*  trans-76.596.1173.4-73.7-6.8000108.5E511 E515 T516 A517E511-N513 PolarHBondContact O-N 3.48Å; N513-E515 PolarHBondContact O-N 3.01Å; N513-T516 HydrophobicContact CB-CG2 3.92Å; N513-T516 PolarHBondContact O-N 3.39Å; N513-T516 PolarHBondContact O-OG1 2.93Å; N513-A517 PolarHBondContact O-N 3.32Å
514F84Confident65.6Low98 Ų98102.7 Ų102.743%0.4354%0.538SS..Hα-helixtrans-39.6-40.1168.1174-92.8000112.1L461 I464 N512 T516 A517 L518L461-F514 HydrophobicContact CD2-CD2 3.47Å; L461-F514 VanDerWaalsContact CD2-CD2 3.47Å; L461-F514 HydrophobicContact CD2-CE2 3.48Å; L461-F514 VanDerWaalsContact CD2-CE2 3.48Å; L461-F514 HydrophobicContact CD2-CG 4.16Å; L461-F514 HydrophobicContact CD2-CZ 4.17Å; I464-F514 HydrophobicContact CG2-CB 4.28Å; I464-F514 HydrophobicContact CG2-CD2 4.07Å; N512-F514 PolarHBondContact O-N 2.94Å; F514-T516 PolarHBondContact O-N 3.49Å; F514-A517 PolarHBondContact O-N 3.28Å; F514-L518 HydrophobicContact CE1-CD2 3.95Å; F514-L518 HydrophobicContact CZ-CD2 4.5Å; F514-L518 WeakPolarHBondContact O-CB 3.29Å; F514-L518 PolarHBondContact O-N 3.38Å
515E85Confident68.5Low142 Ų14298.4 Ų98.466%0.66452%0.522SS*.Hα-helixtrans-49.1-49.6172.9-161.395.2-156.500112.8N513 L518 Q519N513-E515 PolarHBondContact O-N 3.01Å; E515-L518 PolarHBondContact O-N 2.99Å; E515-Q519 WeakPolarHBondContact O-CB 3.42Å; E515-Q519 PolarHBondContact O-N 3.01Å
516T84.6Confident71.5Confident57 Ų5793.9 Ų93.935%0.3550%0.5SS..Hα-helixtrans-70.7-37.7-176.562.80000112.7N513 F514 Q519 R520N513-T516 HydrophobicContact CB-CG2 3.92Å; N513-T516 PolarHBondContact O-N 3.39Å; N513-T516 PolarHBondContact O-OG1 2.93Å; F514-T516 PolarHBondContact O-N 3.49Å; T516-Q519 PolarHBondContact O-N 3.42Å; T516-R520 WeakPolarHBondContact O-CG 3.46Å; T516-R520 PolarHBondContact O-N 3.46Å
517A85.2Confident74.5Confident3 Ų394.1 Ų94.13%0.02549%0.49CS..Hα-helixtrans-69.2-39.8175.600000111E457 I460 L461 N513 F514 R520 A521E457-A517 WeakPolarHBondContact OE2-CA 3.38Å; E457-A517 WeakPolarHBondContact OE2-CB 3.41Å; I460-A517 HydrophobicContact CG2-CB 4.27Å; L461-A517 HydrophobicContact CD2-CB 3.82Å; L461-A517 HydrophobicContact CG-CB 4.12Å; N513-A517 PolarHBondContact O-N 3.32Å; F514-A517 PolarHBondContact O-N 3.28Å; A517-R520 PolarHBondContact O-N 3.32Å; A517-A521 WeakPolarHBondContact O-CB 3.37Å; A517-A521 PolarHBondContact O-N 2.93Å
518L88.9Confident77.4Confident77 Ų7788.2 Ų88.240%0.40345%0.454SS..Hα-helixtrans-64.4-41175.2-176.364.1000111.6L461 F514 E515 A521 T522L461-L518 HydrophobicContact CD1-CD1 4.25Å; L461-L518 HydrophobicContact CD2-CB 4.18Å; F514-L518 HydrophobicContact CE1-CD2 3.95Å; F514-L518 HydrophobicContact CZ-CD2 4.5Å; F514-L518 WeakPolarHBondContact O-CB 3.29Å; F514-L518 PolarHBondContact O-N 3.38Å; E515-L518 PolarHBondContact O-N 2.99Å; L518-A521 PolarHBondContact O-N 2.93Å; L518-T522 WeakPolarHBondContact O-CB 3.37Å; L518-T522 PolarHBondContact O-N 3.2Å; L518-T522 PolarHBondContact O-OG1 3.28Å
519Q91.2Very high80Confident115 Ų11583.8 Ų83.854%0.53744%0.436SS..Hα-helixtrans-63.9-47.6176.6-170.1156.1-1.300111.6E515 T516 A521 T522 E523E515-Q519 WeakPolarHBondContact O-CB 3.42Å; E515-Q519 PolarHBondContact O-N 3.01Å; T516-Q519 PolarHBondContact O-N 3.42Å; Q519-A521 PolarHBondContact O-N 2.94Å; Q519-T522 WeakPolarHBondContact O-CB 3.3Å; Q519-T522 PolarHBondContact O-N 3.46Å; Q519-T522 VanDerWaalsContact O-N 3.16Å; Q519-E523 WeakPolarHBondContact O-CG 3.42Å; Q519-E523 PolarHBondContact O-N 3.47Å
520R88.3Confident82.6Confident90 Ų9082.3 Ų82.334%0.3442%0.421SS..Hα-helixtrans-60.9-42174.4-72-167.6-58.9-96.3-6.6112.6E457 T516 A517 T522 E523 Y524E457-R520 HydrophobicContact CG-CB 4.19Å; E457-R520 IonicContact OE1-CZ 3.32Å; E457-R520 IonicContact OE1-NE 3.29Å; E457-R520 PolarHBondContact OE1-NE 3.05Å; E457-R520 IonicContact OE1-NH2 3.45Å; E457-R520 PolarHBondContact OE1-NH2 3.35Å; E457-R520 IonicContact OE2-CZ 3.06Å; E457-R520 IonicContact OE2-NE 3.24Å; E457-R520 IonicContact OE2-NH2 3.92Å; E457-R520 PolarHBondContact OE2-NH2 3.48Å; T516-R520 WeakPolarHBondContact O-CG 3.46Å; T516-R520 PolarHBondContact O-N 3.46Å; A517-R520 PolarHBondContact O-N 3.32Å; R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 PolarHBondContact O-N 3.18Å; R520-E523 PolarHBondContact O-N 3.39Å; R520-Y524 HydrophobicContact CB-CE2 4.22Å; R520-Y524 WeakPolarHBondContact O-CD2 3.5Å; R520-Y524 PolarHBondContact O-N 2.66Å
521A92.2Very high84.7Confident6 Ų674.9 Ų74.95%0.0539%0.389CS..Hα-helixtrans-60.8-40175.500000111.9L454 E457 L461 A517 L518 Q519 Y524 A525L454-A521 HydrophobicContact CD1-CB 4.02Å; L454-A521 WeakPolarHBondContact CD1-O 3.36Å; E457-A521 HydrophobicContact CB-CB 3.99Å; L461-A521 HydrophobicContact CD1-CB 4.12Å; A517-A521 WeakPolarHBondContact O-CB 3.37Å; A517-A521 PolarHBondContact O-N 2.93Å; L518-A521 PolarHBondContact O-N 2.93Å; Q519-A521 PolarHBondContact O-N 2.94Å; A521-Y524 PolarHBondContact O-N 3.42Å; A521-A525 WeakPolarHBondContact O-CB 3.41Å; A521-A525 PolarHBondContact O-N 2.91Å
522T91.1Very high86.6Confident79 Ų7972.3 Ų72.349%0.48538%0.377SS..Hα-helixtrans-66.5-41.1176.9-54.40000111.5L518 Q519 R520 A525 T526L518-T522 WeakPolarHBondContact O-CB 3.37Å; L518-T522 PolarHBondContact O-N 3.2Å; L518-T522 PolarHBondContact O-OG1 3.28Å; Q519-T522 WeakPolarHBondContact O-CB 3.3Å; Q519-T522 PolarHBondContact O-N 3.46Å; Q519-T522 VanDerWaalsContact O-N 3.16Å; R520-T522 VanDerWaalsContact C-N 3.3Å; R520-T522 PolarHBondContact O-N 3.18Å; T522-A525 PolarHBondContact O-N 3.35Å; T522-T526 WeakPolarHBondContact O-CG2 3.46Å; T522-T526 PolarHBondContact O-N 2.92Å; T522-T526 PolarHBondContact O-OG1 2.87Å
523E93Very high87.7Confident98 Ų9873.5 Ų73.546%0.45837%0.372SS..Hα-helixtrans-62.4-46.1174.6-72.5171.6-167.400111.8Q519 R520 A525 T526 L527Q519-E523 WeakPolarHBondContact O-CG 3.42Å; Q519-E523 PolarHBondContact O-N 3.47Å; R520-E523 PolarHBondContact O-N 3.39Å; E523-A525 PolarHBondContact O-N 3Å; E523-T526 WeakPolarHBondContact CA-OG1 3.3Å; E523-T526 PolarHBondContact O-N 2.91Å; E523-T526 PolarHBondContact O-OG1 3.23Å; E523-L527 WeakPolarHBondContact O-CG 3.49Å; E523-L527 PolarHBondContact O-N 3.09Å
524Y95.3Very high88.3Confident51 Ų5175.2 Ų75.220%0.237%0.371CS..Hα-helixtrans-64.7-41.3177-62.8-39.3000112.5L450 L453 E457 R520 A521 T526 L527 V528L450-Y524 HydrophobicContact CD2-CD1 3.83Å; L450-Y524 HydrophobicContact CD2-CE1 4.44Å; L453-Y524 HydrophobicContact CB-CD2 4.05Å; L453-Y524 HydrophobicContact CB-CE1 4.47Å; L453-Y524 HydrophobicContact CB-CE2 3.91Å; L453-Y524 HydrophobicContact CB-CG 4.4Å; L453-Y524 HydrophobicContact CD1-CE1 4.18Å; E457-Y524 HydrophobicContact CG-CD2 4.09Å; E457-Y524 HydrophobicContact CG-CE2 3.79Å; R520-Y524 HydrophobicContact CB-CE2 4.22Å; R520-Y524 WeakPolarHBondContact O-CD2 3.5Å; R520-Y524 PolarHBondContact O-N 2.66Å; A521-Y524 PolarHBondContact O-N 3.42Å; Y524-T526 VanDerWaalsContact C-N 3.34Å; Y524-T526 PolarHBondContact O-N 2.95Å; Y524-L527 PolarHBondContact O-N 3.47Å; Y524-V528 VanDerWaalsContact O-CG2 3.32Å; Y524-V528 WeakPolarHBondContact O-CG2 3.5Å; Y524-V528 PolarHBondContact O-N 3.33Å
525A92.5Very high88Confident44 Ų4472.4 Ų72.436%0.36436%0.362SS..Hα-helixtrans-61.9-41.6177.200000112.3L454 A521 T522 E523 V528 A529L454-A525 HydrophobicContact CD1-CB 4.3Å; L454-A525 HydrophobicContact CD2-CB 4.24Å; A521-A525 WeakPolarHBondContact O-CB 3.41Å; A521-A525 PolarHBondContact O-N 2.91Å; T522-A525 PolarHBondContact O-N 3.35Å; E523-A525 PolarHBondContact O-N 3Å; A525-V528 PolarHBondContact O-N 3.05Å; A525-A529 WeakPolarHBondContact O-CB 3.36Å; A525-A529 PolarHBondContact O-N 3.31Å
526T91.7Very high87.5Confident75 Ų7567.2 Ų67.246%0.4635%0.346SS..Hα-helixtrans-67.8-39.717750.50000112.2T522 E523 Y524 A529 N530T522-T526 WeakPolarHBondContact O-CG2 3.46Å; T522-T526 PolarHBondContact O-N 2.92Å; T522-T526 PolarHBondContact O-OG1 2.87Å; E523-T526 WeakPolarHBondContact CA-OG1 3.3Å; E523-T526 PolarHBondContact O-N 2.91Å; E523-T526 PolarHBondContact O-OG1 3.23Å; Y524-T526 VanDerWaalsContact C-N 3.34Å; Y524-T526 PolarHBondContact O-N 2.95Å; T526-A529 PolarHBondContact O-N 3.33Å; T526-N530 WeakPolarHBondContact O-CB 3.38Å; T526-N530 VanDerWaalsContact O-CG 3.29Å; T526-N530 PolarHBondContact O-N 2.87Å; T526-N530 PolarHBondContact O-ND2 3.44Å
527L92.1Very high86.9Confident84 Ų8467.4 Ų67.444%0.4435%0.354SS..Hα-helixtrans-62-44.4173.8-76.3168.3000112.5L450 E523 Y524 N530 L531L450-L527 HydrophobicContact CD1-CB 4.07Å; L450-L527 HydrophobicContact CD2-CB 4.33Å; L450-L527 HydrophobicContact CD2-CD1 4.09Å; E523-L527 WeakPolarHBondContact O-CG 3.49Å; E523-L527 PolarHBondContact O-N 3.09Å; Y524-L527 PolarHBondContact O-N 3.47Å; L527-N530 PolarHBondContact O-N 3.12Å; L527-L531 WeakPolarHBondContact O-CG 3.49Å; L527-L531 PolarHBondContact O-N 2.95Å
528V90.1Very high86.2Confident11 Ų1169.2 Ų69.27%0.06736%0.363CS..Hα-helixtrans-61.2-46.5176.7171.90000110.9L450 I451 Y524 A525 N530 L531 Q532L450-V528 HydrophobicContact CB-CG2 3.53Å; I451-V528 HydrophobicContact CD1-CG1 4.3Å; I451-V528 HydrophobicContact CG1-CG1 3.97Å; I451-V528 HydrophobicContact CG1-CG2 3.98Å; Y524-V528 VanDerWaalsContact O-CG2 3.32Å; Y524-V528 WeakPolarHBondContact O-CG2 3.5Å; Y524-V528 PolarHBondContact O-N 3.33Å; A525-V528 PolarHBondContact O-N 3.05Å; V528-N530 VanDerWaalsContact C-N 3.31Å; V528-N530 PolarHBondContact O-N 3.5Å; V528-L531 PolarHBondContact O-N 2.99Å; V528-Q532 HydrophobicContact CG1-CG 4.4Å; V528-Q532 WeakPolarHBondContact O-CG 3.49Å; V528-Q532 PolarHBondContact O-N 2.87Å
529A87.5Confident85Confident40 Ų4070.7 Ų70.733%0.33137%0.371SS..Hα-helixtrans-61.5-39.4178.500000112.3A525 T526 R533A525-A529 WeakPolarHBondContact O-CB 3.36Å; A525-A529 PolarHBondContact O-N 3.31Å; T526-A529 PolarHBondContact O-N 3.33Å; A529-R533 WeakPolarHBondContact O-CB 3.47Å; A529-R533 PolarHBondContact O-N 3.47Å
530N88.2Confident83.7Confident84 Ų8470.3 Ų70.345%0.44937%0.372SS..Hα-helixtrans-66.9-41.4176.8-73.6-23.6000112.4T526 L527 V528 R533 R534T526-N530 WeakPolarHBondContact O-CB 3.38Å; T526-N530 VanDerWaalsContact O-CG 3.29Å; T526-N530 PolarHBondContact O-N 2.87Å; T526-N530 PolarHBondContact O-ND2 3.44Å; L527-N530 PolarHBondContact O-N 3.12Å; V528-N530 VanDerWaalsContact C-N 3.31Å; V528-N530 PolarHBondContact O-N 3.5Å; N530-R533 PolarHBondContact O-N 3.47Å; N530-R533 PolarHBondContact OD1-NH1 3.14Å; N530-R534 PolarHBondContact O-N 2.84Å
531L87Confident82.6Confident22 Ų2268.6 Ų68.612%0.11537%0.374CS..Hα-helixtrans-64.3-46.7175.3-74.8174000111.7L443 Q446 L450 L527 V528 R533 R534 V535L443-L531 HydrophobicContact CD2-CD2 3.66Å; Q446-L531 HydrophobicContact CB-CD1 4.41Å; Q446-L531 HydrophobicContact CG-CD1 4.06Å; L450-L531 HydrophobicContact CD1-CD1 3.42Å; L450-L531 VanDerWaalsContact CD1-CD1 3.42Å; L527-L531 WeakPolarHBondContact O-CG 3.49Å; L527-L531 PolarHBondContact O-N 2.95Å; V528-L531 PolarHBondContact O-N 2.99Å; L531-R533 VanDerWaalsContact C-N 3.29Å; L531-R533 PolarHBondContact O-N 3.23Å; L531-R534 PolarHBondContact O-N 3.48Å; L531-R534 VanDerWaalsContact O-N 3.16Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 3.4Å
532Q83.2Confident81Confident112 Ų11271.4 Ų71.452%0.52339%0.388SS..Hα-helixtrans-60.4-39.8177.2-74.9175.7-22.400111.8V528 G536V528-Q532 HydrophobicContact CG1-CG 4.4Å; V528-Q532 WeakPolarHBondContact O-CG 3.49Å; V528-Q532 PolarHBondContact O-N 2.87Å; Q532-G536 PolarHBondContact O-N 3.35Å
533R81.2Confident79.3Confident162 Ų16272.3 Ų72.361%0.61140%0.396SS*.Hα-helixtrans-63.8-41.2175.1-164.4-175.3-58.5111.12.4112.2A529 N530 L531 G536 A537A529-R533 WeakPolarHBondContact O-CB 3.47Å; A529-R533 PolarHBondContact O-N 3.47Å; N530-R533 PolarHBondContact O-N 3.47Å; N530-R533 PolarHBondContact OD1-NH1 3.14Å; L531-R533 VanDerWaalsContact C-N 3.29Å; L531-R533 PolarHBondContact O-N 3.23Å; R533-G536 PolarHBondContact O-N 3Å; R533-A537 WeakPolarHBondContact O-CB 3.21Å; R533-A537 PolarHBondContact O-N 2.92Å
534R82.8Confident76.8Confident129 Ų12974 Ų7449%0.48741%0.408SS..Hα-helixtrans-67.2-43.6178.2-178.8157.6154170.4-11.2112E439 L443 N530 L531 G536 A537 D538E439-R534 IonicContact OE1-NH2 3.87Å; L443-R534 HydrophobicContact CD1-CG 4.25Å; N530-R534 PolarHBondContact O-N 2.84Å; L531-R534 PolarHBondContact O-N 3.48Å; L531-R534 VanDerWaalsContact O-N 3.16Å; R534-G536 VanDerWaalsContact C-N 3.34Å; R534-G536 PolarHBondContact O-N 3.43Å; R534-A537 PolarHBondContact O-N 2.92Å; R534-D538 PolarHBondContact O-N 3.08Å
535V76.5Confident74.1Confident40 Ų4078.7 Ų78.724%0.24244%0.436CS..Hα-helixtrans-60.8-44.2173.6174.10000110.8L443 L531 A537 D538 L539L443-V535 HydrophobicContact CB-CG2 3.65Å; L443-V535 HydrophobicContact CD1-CG2 4.07Å; L531-V535 WeakPolarHBondContact O-CG2 3.49Å; L531-V535 PolarHBondContact O-N 3.4Å; V535-A537 PolarHBondContact O-N 2.99Å; V535-D538 PolarHBondContact O-N 3.39Å; V535-L539 WeakPolarHBondContact O-CB 3.27Å; V535-L539 PolarHBondContact O-N 3.44Å
536G74.4Confident71.5Confident33 Ų3382.2 Ų82.234%0.3446%0.455SS..Hα-helixtrans-62.2-39.4176.300000113.3Q532 R533 R534 N540Q532-G536 PolarHBondContact O-N 3.35Å; R533-G536 PolarHBondContact O-N 3Å; R534-G536 VanDerWaalsContact C-N 3.34Å; R534-G536 PolarHBondContact O-N 3.43Å; G536-N540 WeakPolarHBondContact O-CB 3.45Å; G536-N540 PolarHBondContact O-N 3.45Å
537A73.4Confident68.7Low61 Ų6186.8 Ų86.850%0.50448%0.477SS..Hα-helixtrans-66.9-42176.200000112.4R533 R534 V535 N540 S541R533-A537 WeakPolarHBondContact O-CB 3.21Å; R533-A537 PolarHBondContact O-N 2.92Å; R534-A537 PolarHBondContact O-N 2.92Å; V535-A537 PolarHBondContact O-N 2.99Å; A537-N540 PolarHBondContact O-N 3.11Å; A537-S541 PolarHBondContact O-N 3.32Å
538D70.4Confident65.6Low40 Ų4086.1 Ų86.121%0.21448%0.483CS..Hα-helixtrans-65.6-39.6176.1-88.1-36.8000112.2R436 R534 V535 S541 L542R436-D538 IonicContact NH1-OD1 3.71Å; R436-D538 PolarHBondContact NH1-OD1 3.44Å; R534-D538 PolarHBondContact O-N 3.08Å; V535-D538 PolarHBondContact O-N 3.39Å; D538-S541 WeakPolarHBondContact O-CB 3.02Å; D538-S541 PolarHBondContact O-N 3.26Å; D538-L542 PolarHBondContact O-N 3.48Å; D538-L542 VanDerWaalsContact O-N 3.16Å
539L63.6Low62.8Low109 Ų10993.7 Ų93.757%0.57152%0.517SS*.Hα-helixtrans-64.8-44.9176.3-141.983.6000111.4V535 S541 L542 C543V535-L539 WeakPolarHBondContact O-CB 3.27Å; V535-L539 PolarHBondContact O-N 3.44Å; L539-S541 VanDerWaalsContact C-N 3.29Å; L539-S541 PolarHBondContact O-N 3.05Å; L539-L542 WeakPolarHBondContact O-CB 3.37Å; L539-L542 PolarHBondContact O-N 2.9Å; L539-L542 VanDerWaalsContact O-N 3.09Å; L539-C543 PolarHBondContact O-N 3.44Å; L539-C543 VanDerWaalsContact O-N 3.1Å; L539-C543 PolarHBondContact O-SG 3.31Å
540N64Low60Low107 Ų10799.3 Ų99.357%0.57254%0.542SS*.Hα-helixtrans-62.7-36.4175.8-82.2-15.8000112.2G536 A537 L542 C543 L544G536-N540 WeakPolarHBondContact O-CB 3.45Å; G536-N540 PolarHBondContact O-N 3.45Å; A537-N540 PolarHBondContact O-N 3.11Å; N540-L542 VanDerWaalsContact C-N 3.26Å; N540-L542 PolarHBondContact O-N 3.28Å; N540-C543 PolarHBondContact O-N 3.34Å; N540-L544 WeakPolarHBondContact O-CG 3.46Å; N540-L544 PolarHBondContact O-N 3.11Å; N540-L544 VanDerWaalsContact O-N 3.1Å
541S64.6Low57Low54 Ų54102.5 Ų102.538%0.37856%0.559SS.*Hα-helixtrans-64.5-28.9174.3-179.30000112.9R436 A537 D538 L539R436-S541 PolarHBondContact NH1-OG 3Å; A537-S541 PolarHBondContact O-N 3.32Å; D538-S541 WeakPolarHBondContact O-CB 3.02Å; D538-S541 PolarHBondContact O-N 3.26Å; L539-S541 VanDerWaalsContact C-N 3.29Å; L539-S541 PolarHBondContact O-N 3.05Å
542L59Low54.2Low65 Ų65105.4 Ų105.434%0.3459%0.586SS.*Hα-helixtrans-79.2-28.2175.1-73.7164.7000112.1T433 R436 D538 L539 N540T433-L542 HydrophobicContact CG2-CD2 4.04Å; R436-L542 HydrophobicContact CB-CD1 4.39Å; D538-L542 PolarHBondContact O-N 3.48Å; D538-L542 VanDerWaalsContact O-N 3.16Å; L539-L542 WeakPolarHBondContact O-CB 3.37Å; L539-L542 PolarHBondContact O-N 2.9Å; L539-L542 VanDerWaalsContact O-N 3.09Å; N540-L542 VanDerWaalsContact C-N 3.26Å; N540-L542 PolarHBondContact O-N 3.28Å
543C54.1Low51.5Low97 Ų97107.5 Ų107.566%0.65560%0.601SS**Hα-helixtrans-79.5-23.6177.1-67.70000113.7L539 N540 L545L539-C543 PolarHBondContact O-N 3.44Å; L539-C543 VanDerWaalsContact O-N 3.1Å; L539-C543 PolarHBondContact O-SG 3.31Å; N540-C543 PolarHBondContact O-N 3.34Å; C543-L545 PolarHBondContact O-N 3.37Å; C543-L545 VanDerWaalsContact O-N 3.14Å
544L42.2Very low48.8Very low135 Ų135107.9 Ų107.971%0.70761%0.613SS**  trans-82.487.7175.6-70169.1000110.2N540N540-L544 WeakPolarHBondContact O-CG 3.46Å; N540-L544 PolarHBondContact O-N 3.11Å; N540-L544 VanDerWaalsContact O-N 3.1Å
545L37.8Very low46.1Very low149 Ų149111.1 Ų111.178%0.7863%0.631SS**  trans-61.1125.2170.3-137.375.9000109.3C543 N547C543-L545 PolarHBondContact O-N 3.37Å; C543-L545 VanDerWaalsContact O-N 3.14Å; L545-N547 PolarHBondContact O-N 2.91Å; L545-N547 VanDerWaalsContact O-N 3.08Å
546P37.7Very low43.6Very low118 Ų118116.4 Ų116.477%0.76666%0.658SS**  trans-69.9109.8-179.6-15.529.2000110.6A548P546-A548 VanDerWaalsContact C-N 3.27Å; P546-A548 PolarHBondContact O-N 3.11Å
547N33.2Very low41.4Very low171 Ų171122.4 Ų122.491%0.91468%0.681SS**  trans-67.184.6162.8-78.7-24.2000109.2L545L545-N547 PolarHBondContact O-N 2.91Å; L545-N547 VanDerWaalsContact O-N 3.08Å
548A27.7Very low39.3Very low69 Ų69127.7 Ų127.757%0.5770%0.695SS**  trans-164.8104.1163.900000110P546P546-A548 VanDerWaalsContact C-N 3.27Å; P546-A548 PolarHBondContact O-N 3.11Å
549H31Very low37.1Very low170 Ų170133.5 Ų133.579%0.78772%0.72SS**  -174.7113.6108.4-95-63.4000109.6N551H549-N551 PolarHBondContact O-N 3.02Å
550D27.7Very low35.4Very low158 Ų158134.3 Ų134.385%0.84573%0.725SS**  trans-48.899.4159.3-64.5-55.3000109.8
551N26.7Very low33.7Very low151 Ų151136.8 Ų136.881%0.80774%0.737SS**  trans-114.962.7156.7-78-22.9000107.4H549 D553H549-N551 PolarHBondContact O-N 3.02Å; N551-D553 VanDerWaalsContact C-N 3.32Å; N551-D553 PolarHBondContact O-N 3.15Å; N551-D553 VanDerWaalsContact O-N 3.17Å
552A26.2Very low31.7Very low84 Ų84140.3 Ų140.369%0.69476%0.761SS**  trans-65.1101.9149.100000105.8
553D26.9Very low30.3Very low155 Ų155144 Ų14483%0.82978%0.779SS**  trans16351.5151.7-80.9-15.6000112.3N551N551-D553 VanDerWaalsContact C-N 3.32Å; N551-D553 PolarHBondContact O-N 3.15Å; N551-D553 VanDerWaalsContact O-N 3.17Å
554I26.1Very low29.2Very low170 Ų170144 Ų14487%0.87278%0.778SS**  trans-140.253.9148.5-46.8178.5000108.2
555F24.4Very low28.7Very low198 Ų198143.5 Ų143.587%0.86878%0.783SS**  trans-109.4102.3161.6-98.8-87.1000106.8
556N25.7Very low28.4Very low150 Ų150140.4 Ų140.480%0.80278%0.779SS**  trans152.6106152.2-81.9-36000107.3
557I27.9Very low28Very low160 Ų160143.7 Ų143.782%0.82178%0.784SS**SBendtrans176.8133.4131.8-84.5149.2000107.3
558H29.1Very low27.8Very low171 Ų171145.1 Ų145.179%0.79278%0.782SS**  trans77.172.3171-84.3-66.2000118.6
559H24.1Very low27.8Very low162 Ų162152.6 Ų152.675%0.7580%0.796SS**  trans-47.9149131-145.3-68.2000110.7
560D27.4Very low27.6Very low127 Ų127150.8 Ų150.868%0.67980%0.797SS**  trans101.395.1169.4-54-18.8000116.2
561L28.4Very low27.7Very low158 Ų158149 Ų14983%0.82779%0.792SS**  -174.180.7119.2-92.5157.2000108.5I563L561-I563 HydrophobicContact CD2-CD1 4.25Å; L561-I563 HydrophobicContact CD2-CG1 4.36Å; L561-I563 PolarHBondContact O-N 2.9Å
562C22.9Very low27.8Very low129 Ų129150.8 Ų150.887%0.87280%0.795SS**  trans-75.498.9164.6-164.50000107.3
563I28.7Very low27.9Very low141 Ų141152.8 Ų152.872%0.72380%0.799SS**  trans-111.4113.9164.4-59.9179.3000106.6L561L561-I563 HydrophobicContact CD2-CD1 4.25Å; L561-I563 HydrophobicContact CD2-CG1 4.36Å; L561-I563 PolarHBondContact O-N 2.9Å
564P31.3Very low28.1Very low97 Ų97151.1 Ų151.163%0.6379%0.794SS**PPolyproline II helixtrans-67152.2-177.6-14.728000112A566P564-A566 PolarHBondContact O-N 3.4Å
565P32.2Very low28.1Very low126 Ų126152.1 Ų152.182%0.81879%0.792SS**PPolyproline II helixtrans-72.2124.8-176.2-319.6000110.3E567P565-E567 PolarHBondContact O-N 3.49Å
566A31.5Very low28.2Very low84 Ų84151 Ų15169%0.69479%0.791SS**PPolyproline II helixtrans-66.8120.9171.400000109.8P564 F568P564-A566 PolarHBondContact O-N 3.4Å; A566-F568 PolarHBondContact O-N 2.85Å
567E28.3Very low28.3Very low187 Ų187150.4 Ų150.487%0.87479%0.788SS**  trans-55.590.2172.7-62.8174.6165.200111.1P565 R569P565-E567 PolarHBondContact O-N 3.49Å; E567-R569 PolarHBondContact O-N 2.8Å; E567-R569 VanDerWaalsContact O-N 3.1Å
568F28.9Very low28.2Very low200 Ų200148.3 Ų148.388%0.87778%0.783SS**  trans-76.998.8166.8-106.8-88.1000108.9A566 T570A566-F568 PolarHBondContact O-N 2.85Å; F568-T570 PolarHBondContact O-N 3.45Å
569R27.9Very low28.3Very low226 Ų226145.5 Ų145.585%0.85378%0.783SS**  trans-48.7118.3169.7-78.7176.5170.7171.2-2.8110.5E567 T571E567-R569 PolarHBondContact O-N 2.8Å; E567-R569 VanDerWaalsContact O-N 3.1Å; R569-T571 PolarHBondContact O-N 2.89Å
570T26.4Very low28.6Very low133 Ų133145.4 Ų145.482%0.81679%0.787SS**  trans-5698.4165.134.70000110.3F568 H572F568-T570 PolarHBondContact O-N 3.45Å; T570-H572 PolarHBondContact O-N 3.05Å
571T30.9Very low28.6Very low120 Ų120142.2 Ų142.274%0.73678%0.784SS**  trans-72.9113.4163.546.10000108.4R569 V573R569-T571 PolarHBondContact O-N 2.89Å; T571-V573 PolarHBondContact O-N 3.3Å
572H27.8Very low28.6Very low188 Ų188141.2 Ų141.287%0.8778%0.784SS**  trans-49.999.3163.2-83.3-90.3000110T570T570-H572 PolarHBondContact O-N 3.05Å
573V29.3Very low28.9Very low127 Ų127143.1 Ų143.177%0.7778%0.78SS**  trans-95.6110.1163.1-178.20000106.8T571 K575T571-V573 PolarHBondContact O-N 3.3Å; V573-K575 PolarHBondContact O-N 2.9Å
574T30.5Very low28.9Very low119 Ų119141.9 Ų141.973%0.7378%0.78SS**  trans-52.7129.4175.541.40000111.6M576T574-M576 PolarHBondContact O-N 3.42Å
575K26.5Very low28.7Very low192 Ų192144.6 Ų144.684%0.83579%0.788SS**  trans-29.397.7162.5-153.5176.6-173.2-176.50111.7V573V573-K575 PolarHBondContact O-N 2.9Å
576M27.6Very low28.6Very low173 Ų173143.6 Ų143.685%0.85278%0.78SS**  trans-91108.2165.2-106.1176.8161.300106.6T574 V578T574-M576 PolarHBondContact O-N 3.42Å; M576-V578 VanDerWaalsContact C-N 3.34Å; M576-V578 PolarHBondContact O-N 3.26Å
577D26.4Very low28.5Very low138 Ų138146.5 Ų146.574%0.73878%0.784SS**  trans-63.595.6168.6-71.6-37.4000108.1S579D577-S579 VanDerWaalsContact C-N 3.25Å; D577-S579 PolarHBondContact O-N 3.23Å
578V27.2Very low28.5Very low117 Ų117146.3 Ų146.371%0.70978%0.782SS**  trans-80.885169.4-175.70000106.8M576 L580M576-V578 VanDerWaalsContact C-N 3.34Å; M576-V578 PolarHBondContact O-N 3.26Å; V578-L580 VanDerWaalsContact C-N 3.3Å; V578-L580 HydrophobicContact CG1-CG 4.24Å; V578-L580 PolarHBondContact O-N 3.36Å
579S30.5Very low28.5Very low112 Ų112144.3 Ų144.378%0.78378%0.779SS**  trans-61.296.6159.2-69.40000107.5D577 G581D577-S579 VanDerWaalsContact C-N 3.25Å; D577-S579 PolarHBondContact O-N 3.23Å; S579-G581 PolarHBondContact O-N 3.45Å
580L29.3Very low28.5Very low160 Ų160141.9 Ų141.984%0.83878%0.778SS**  trans-65.491167.5-79160.2000107.3V578V578-L580 VanDerWaalsContact C-N 3.3Å; V578-L580 HydrophobicContact CG1-CG 4.24Å; V578-L580 PolarHBondContact O-N 3.36Å
581G28.7Very low28.5Very low60 Ų60140.3 Ų140.362%0.61977%0.772SS**  trans-55.813516700000109S579 E583S579-G581 PolarHBondContact O-N 3.45Å; G581-E583 PolarHBondContact O-N 2.67Å
582T27.1Very low28.4Very low136 Ų136140.3 Ų140.383%0.83477%0.772SS**  trans-62.477.4170.850.10000109.6T584T582-T584 VanDerWaalsContact C-N 3.34Å; T582-T584 PolarHBondContact O-N 3.3Å; T582-T584 VanDerWaalsContact O-N 3.17Å
583E29.2Very low28.3Very low169 Ų169139.3 Ų139.379%0.7977%0.768SS**  trans-81.491.9165.6-76.3-172.6174.200107.7G581 L585G581-E583 PolarHBondContact O-N 2.67Å; E583-L585 PolarHBondContact O-N 2.89Å
584T29.3Very low28.5Very low115 Ų115139.4 Ų139.471%0.70677%0.768SS**  trans-56.287.2157.941.90000108.3T582 T586T582-T584 VanDerWaalsContact C-N 3.34Å; T582-T584 PolarHBondContact O-N 3.3Å; T582-T584 VanDerWaalsContact O-N 3.17Å; T584-T586 PolarHBondContact O-N 2.92Å; T584-T586 PolarHBondContact O-OG1 3.11Å
585L27.8Very low28.4Very low154 Ų154139.4 Ų139.481%0.80676%0.764SS**  trans-76.858.9168.8-142.392000109.1E583E583-L585 PolarHBondContact O-N 2.89Å
586T28.8Very low28.6Very low106 Ų106139.8 Ų139.865%0.6577%0.769SS**  trans-82.1138.1157.221.60000106.6T584T584-T586 PolarHBondContact O-N 2.92Å; T584-T586 PolarHBondContact O-OG1 3.11Å
587D29.4Very low28.8Very low145 Ų145136.9 Ų136.978%0.77576%0.761SS**SBendtrans91.253.7174.9-51.6-17.4000116.9
588H28.4Very low29.3Very low182 Ų182133.5 Ų133.584%0.84375%0.752SS**  trans-153.747.5152-107.723.3000113.5
589I29.2Very low29.5Very low158 Ų158136.1 Ų136.181%0.8176%0.762SS**  trans-128.690151.7-58179.4000105.4S591I589-S591 PolarHBondContact O-N 3.34Å
590Q28.2Very low29.7Very low175 Ų175138.2 Ų138.282%0.81876%0.76SS**  trans-52.5111.3158.2-91.7172.7-3200106.6T592Q590-T592 PolarHBondContact O-N 3.47Å
591S27.3Very low30.1Very low101 Ų101139.3 Ų139.371%0.70676%0.758SS**  trans-47.891.4155.5-39.80000107.2I589 E593I589-S591 PolarHBondContact O-N 3.34Å; S591-E593 PolarHBondContact O-N 2.9Å
592T28.6Very low30.5Very low120 Ų120142 Ų14274%0.73676%0.762SS**  trans-76.781.115536.20000104.1Q590 V594Q590-T592 PolarHBondContact O-N 3.47Å; T592-V594 PolarHBondContact O-N 3.05Å
593E25.9Very low31Very low166 Ų166142.2 Ų142.278%0.77675%0.753SS**  trans-5287150-77174.4152.600105.5S591 D595S591-E593 PolarHBondContact O-N 2.9Å; E593-D595 PolarHBondContact O-N 3.34Å
594V31.5Very low31.5Very low129 Ų129141.2 Ų141.278%0.78275%0.752SS**  trans-74.589.7158.3179.90000103.3T592 E596T592-V594 PolarHBondContact O-N 3.05Å; V594-E596 PolarHBondContact O-N 3.38Å
595D28.8Very low31.8Very low119 Ų119141.6 Ų141.664%0.63675%0.75SS**  trans-33.2133.5165.3-90.2-40.4000109.5E593 T597E593-D595 PolarHBondContact O-N 3.34Å; D595-T597 HydrophobicContact CB-CG2 4.02Å; D595-T597 PolarHBondContact O-N 3.43Å; D595-T597 PolarHBondContact O-OG1 3.44Å
596E31.4Very low32.3Very low201 Ų201142 Ų14294%0.93975%0.747SS**  trans-59.629.1174-62179.6140.600113.6V594 A598V594-E596 PolarHBondContact O-N 3.38Å; E596-A598 PolarHBondContact O-N 2.97Å
597T32.2Very low32.8Very low112 Ų112145.5 Ų145.569%0.68776%0.761SS**  trans-66.4107.7176.150.40000109.9D595D595-T597 HydrophobicContact CB-CG2 4.02Å; D595-T597 PolarHBondContact O-N 3.43Å; D595-T597 PolarHBondContact O-OG1 3.44Å
598A35.7Very low33Very low67 Ų67147.7 Ų147.755%0.55477%0.766SS**  trans64.774.6160.400000114.5E596 Q600E596-A598 PolarHBondContact O-N 2.97Å; A598-Q600 HydrophobicContact CB-CB 4.28Å; A598-Q600 HydrophobicContact CB-CG 4Å; A598-Q600 PolarHBondContact O-N 3.01Å
599N33.1Very low33.4Very low172 Ų172143.2 Ų143.292%0.9276%0.761SS**  -61.360.6129.9-113.7-13.2000108.7K601N599-K601 PolarHBondContact O-N 3.14Å
600Q34.5Very low33.8Very low156 Ų156141.5 Ų141.573%0.72976%0.763SS**  trans-65.791.6154.1-88.3176.90.800103.4A598 V602A598-Q600 HydrophobicContact CB-CB 4.28Å; A598-Q600 HydrophobicContact CB-CG 4Å; A598-Q600 PolarHBondContact O-N 3.01Å; Q600-V602 PolarHBondContact O-N 2.99Å
601K36Very low34.5Very low183 Ų183136.2 Ų136.280%0.79676%0.755SS**  trans-44.396.8154-162.8178.8-170.6-176.20104.5N599 E603N599-K601 PolarHBondContact O-N 3.14Å; K601-E603 PolarHBondContact O-N 3.5Å
602V39.1Very low35.1Very low116 Ų116139.6 Ų139.670%0.70376%0.762SS**  trans-66.289.9172.8176.90000102.8Q600 I604Q600-V602 PolarHBondContact O-N 2.99Å; V602-I604 HydrophobicContact CG1-CG1 3.81Å; V602-I604 PolarHBondContact O-N 3.38Å
603E36.2Very low35.7Very low141 Ų141140.8 Ų140.866%0.65976%0.764SS**  trans-55.295.2158.4-82.5-175168.600105K601 N605K601-E603 PolarHBondContact O-N 3.5Å; E603-N605 HydrophobicContact CB-CB 4.32Å; E603-N605 PolarHBondContact O-N 3.44Å; E603-N605 PolarHBondContact OE2-ND2 2.85Å
604I39.5Very low36.7Very low148 Ų148141.9 Ų141.976%0.75977%0.766SS**  trans-71.966.2161.9-55.8178.2000105.7V602 H606V602-I604 HydrophobicContact CG1-CG1 3.81Å; V602-I604 PolarHBondContact O-N 3.38Å; I604-H606 VanDerWaalsContact C-N 3.27Å; I604-H606 PolarHBondContact O-N 2.74Å
605N37.2Very low37.5Very low123 Ų123141.1 Ų141.166%0.65876%0.758SS**  trans-95.955169.5-80.3-25.7000107.3E603E603-N605 HydrophobicContact CB-CB 4.32Å; E603-N605 PolarHBondContact O-N 3.44Å; E603-N605 PolarHBondContact OE2-ND2 2.85Å
606H37.8Very low38.8Very low162 Ų162140 Ų14075%0.7576%0.759SS**  trans-154.862.1176.5-134.3-3.3000114.8I604I604-H606 VanDerWaalsContact C-N 3.27Å; I604-H606 PolarHBondContact O-N 2.74Å
607L39.2Very low39.9Very low180 Ų180136.9 Ų136.994%0.94274%0.744SS**  trans-144.363.2148.1-76.1-177000110.1
608Q33.6Very low41.4Very low191 Ų191134.5 Ų134.589%0.89373%0.73SS**  trans-83.9107.5148-87.5179.3-36.400106.6
609A36.6Very low43.1Very low88 Ų88136.9 Ų136.973%0.72773%0.733SS**  trans163.2132.2138.400000112.6
610S38.6Very low45.2Very low121 Ų121135.1 Ų135.185%0.84672%0.719SS**  trans87.1132.2143.284.40000119.2
611G42.2Very low47.4Very low64 Ų64134.2 Ų134.266%0.6672%0.715SS**  trans84.890.3152.900000113.5
612M39.1Very low49.5Very low172 Ų172130.7 Ų130.785%0.84770%0.704SS**  56109.787.9-63.1176.164.200112.3
613D42.2Very low51.6Low145 Ų145128.3 Ų128.378%0.77569%0.693SS**SBendtrans58.695.6144.7-76.7-27.3000117.1
614K46.8Very low54.1Low190 Ų190128 Ų12883%0.82669%0.689SS**  155.12.5114.9-85.6-169.7178.4-172.30118.5
615D48.6Very low56.4Low113 Ų113126.2 Ų126.260%0.60468%0.681SS**  trans-111.658.9-173.7-66-29.9000114.5H617 T618 D619D615-H617 PolarHBondContact O-N 3.36Å; D615-T618 HydrophobicContact CB-CG2 3.65Å; D615-T618 WeakPolarHBondContact CB-OG1 3.45Å; D615-T618 PolarHBondContact O-N 3.41Å; D615-T618 PolarHBondContact O-OG1 3.38Å; D615-D619 PolarHBondContact O-N 3.41Å
616S55.4Low58.8Low95 Ų95125.5 Ų125.566%0.66467%0.673SS**Hα-helixtrans-61.1-25.9172.463.60000113.1E620S616-E620 PolarHBondContact O-N 3Å
617H55.4Low61.2Low135 Ų135122.4 Ų122.463%0.62566%0.662SS**Hα-helixtrans-70-34.5172.5-92.612.6000112.7D615 E620 E621D615-H617 PolarHBondContact O-N 3.36Å; H617-E620 PolarHBondContact O-N 3.49Å; H617-E621 WeakPolarHBondContact O-CG 3.23Å; H617-E621 PolarHBondContact O-N 3.05Å
618T63.3Low63.7Low63 Ų63118.4 Ų118.439%0.38764%0.639SS.*Hα-helixtrans-70.5-34.5-179.464.80000112.2D615 E620 E621 L622D615-T618 HydrophobicContact CB-CG2 3.65Å; D615-T618 WeakPolarHBondContact CB-OG1 3.45Å; D615-T618 PolarHBondContact O-N 3.41Å; D615-T618 PolarHBondContact O-OG1 3.38Å; T618-E620 VanDerWaalsContact C-N 3.35Å; T618-E621 PolarHBondContact O-N 2.87Å; T618-L622 WeakPolarHBondContact O-CB 3.39Å; T618-L622 WeakPolarHBondContact O-CG 3.3Å; T618-L622 PolarHBondContact O-N 3.3Å
619D70.1Confident66.5Low116 Ų116114.9 Ų114.962%0.6263%0.625SS**Hα-helixtrans-70.2-35.6178.4-154.333000111.1D615 S623D615-D619 PolarHBondContact O-N 3.41Å; D619-S623 VanDerWaalsContact O-CB 3.3Å; D619-S623 WeakPolarHBondContact O-CB 3.31Å; D619-S623 PolarHBondContact O-N 2.76Å
620E78.8Confident69.2Low135 Ų135115 Ų11563%0.63161%0.612SS**Hα-helixtrans-68.7-41.5174.9-156168.5-154.300111.8S616 H617 T618 S623 K624S616-E620 PolarHBondContact O-N 3Å; H617-E620 PolarHBondContact O-N 3.49Å; T618-E620 VanDerWaalsContact C-N 3.35Å; E620-S623 PolarHBondContact O-N 3.34Å; E620-K624 WeakPolarHBondContact O-CB 3.41Å; E620-K624 PolarHBondContact O-N 2.92Å
621E80.6Confident71.7Confident138 Ų138115 Ų11565%0.64560%0.598SS**Hα-helixtrans-64.7-42.8172.9-73.9-178.1168.800112.5H617 T618 K624 L625H617-E621 WeakPolarHBondContact O-CG 3.23Å; H617-E621 PolarHBondContact O-N 3.05Å; T618-E621 PolarHBondContact O-N 2.87Å; E621-K624 PolarHBondContact O-N 3.32Å; E621-L625 WeakPolarHBondContact O-CB 3.35Å; E621-L625 PolarHBondContact O-N 3.45Å
622L79.4Confident74Confident109 Ų109114.5 Ų114.557%0.57159%0.585SS**Hα-helixtrans-62.8-41.9175.2-82.1164.5000111.7T618 L625 H626T618-L622 WeakPolarHBondContact O-CB 3.39Å; T618-L622 WeakPolarHBondContact O-CG 3.3Å; T618-L622 PolarHBondContact O-N 3.3Å; L622-L625 PolarHBondContact O-N 3.27Å; L622-H626 WeakPolarHBondContact O-CB 3.2Å; L622-H626 PolarHBondContact O-N 3.39Å
623S83.5Confident76.5Confident65 Ų65108.5 Ų108.546%0.45556%0.563SS.*Hα-helixtrans-65.9-40.4177.3-151.80000111.5D619 E620 H626 N627D619-S623 VanDerWaalsContact O-CB 3.3Å; D619-S623 WeakPolarHBondContact O-CB 3.31Å; D619-S623 PolarHBondContact O-N 2.76Å; E620-S623 PolarHBondContact O-N 3.34Å; S623-H626 PolarHBondContact O-N 2.95Å; S623-N627 VanDerWaalsContact O-CG 3.26Å; S623-N627 PolarHBondContact O-N 2.75Å; S623-N627 PolarHBondContact O-ND2 3.17Å
624K87.7Confident78.9Confident135 Ų135106.5 Ų106.559%0.58755%0.552SS**Hα-helixtrans-63-48.2174.8-168.9-177.1178.9-161.70111.8E620 E621 H626 N627 E628E620-K624 WeakPolarHBondContact O-CB 3.41Å; E620-K624 PolarHBondContact O-N 2.92Å; E621-K624 PolarHBondContact O-N 3.32Å; K624-H626 VanDerWaalsContact C-N 3.3Å; K624-H626 PolarHBondContact O-N 3.21Å; K624-N627 PolarHBondContact O-N 3.43Å; K624-E628 VanDerWaalsContact CE-OE1 3.22Å; K624-E628 WeakPolarHBondContact CE-OE1 3.3Å; K624-E628 IonicContact NZ-OE1 2.67Å; K624-E628 WeakPolarHBondContact O-CG 3.21Å; K624-E628 PolarHBondContact O-N 2.99Å
625L87.9Confident81Confident111 Ų111102.1 Ų102.158%0.58154%0.535SS*.Hα-helixtrans-61.5-38.3177.3-167.679.6000111.9E621 L622 E628 L629E621-L625 WeakPolarHBondContact O-CB 3.35Å; E621-L625 PolarHBondContact O-N 3.45Å; L622-L625 PolarHBondContact O-N 3.27Å; L625-E628 PolarHBondContact O-N 3.49Å; L625-L629 WeakPolarHBondContact O-CB 3.3Å; L625-L629 PolarHBondContact O-N 2.99Å
626H87.7Confident83Confident108 Ų108101 Ų10150%0.553%0.527SS..Hα-helixtrans-63.8-43.6175.4-17676000111.9L622 S623 K624 L629 M630L622-H626 WeakPolarHBondContact O-CB 3.2Å; L622-H626 PolarHBondContact O-N 3.39Å; S623-H626 PolarHBondContact O-N 2.95Å; K624-H626 VanDerWaalsContact C-N 3.3Å; K624-H626 PolarHBondContact O-N 3.21Å; H626-L629 PolarHBondContact O-N 2.94Å; H626-M630 WeakPolarHBondContact O-CB 3.48Å; H626-M630 VanDerWaalsContact O-CG 3.29Å; H626-M630 WeakPolarHBondContact O-CG 3.35Å; H626-M630 PolarHBondContact O-N 3.48Å
627N88.4Confident84.8Confident97 Ų97101.6 Ų101.652%0.51952%0.52SS..Hα-helixtrans-64.4-43.8177-69-28.2000111.7S623 K624 L629 M630 E631S623-N627 VanDerWaalsContact O-CG 3.26Å; S623-N627 PolarHBondContact O-N 2.75Å; S623-N627 PolarHBondContact O-ND2 3.17Å; K624-N627 PolarHBondContact O-N 3.43Å; N627-L629 VanDerWaalsContact C-N 3.34Å; N627-L629 PolarHBondContact O-N 3.39Å; N627-M630 PolarHBondContact O-N 2.97Å; N627-E631 WeakPolarHBondContact O-CB 3.47Å; N627-E631 PolarHBondContact O-N 2.96Å
628E91.8Very high86.6Confident96 Ų9699.3 Ų99.345%0.44952%0.516SS..Hα-helixtrans-61.5-40.3175.2-71.8174.8-171.200111.7K624 L625 E631 S632K624-E628 VanDerWaalsContact CE-OE1 3.22Å; K624-E628 WeakPolarHBondContact CE-OE1 3.3Å; K624-E628 IonicContact NZ-OE1 2.67Å; K624-E628 WeakPolarHBondContact O-CG 3.21Å; K624-E628 PolarHBondContact O-N 2.99Å; L625-E628 PolarHBondContact O-N 3.49Å; E628-E631 PolarHBondContact O-N 3.03Å; E628-S632 WeakPolarHBondContact O-CB 3.5Å; E628-S632 PolarHBondContact O-N 3.5Å
629L93.1Very high88Confident117 Ų117103.6 Ų103.661%0.61353%0.526SS*.Hα-helixtrans-65.2-40.8175.2-17965000112L625 H626 N627 S632 A633L625-L629 WeakPolarHBondContact O-CB 3.3Å; L625-L629 PolarHBondContact O-N 2.99Å; H626-L629 PolarHBondContact O-N 2.94Å; N627-L629 VanDerWaalsContact C-N 3.34Å; N627-L629 PolarHBondContact O-N 3.39Å; L629-S632 PolarHBondContact O-N 3.4Å; L629-A633 WeakPolarHBondContact O-CB 3.45Å; L629-A633 PolarHBondContact O-N 2.94Å
630M92Very high89.2Confident89 Ų89103.5 Ų103.544%0.43852%0.52SS..Hα-helixtrans-66.4-39176.7-74.4-60.8-59.700111.9H626 N627 A633 N634H626-M630 WeakPolarHBondContact O-CB 3.48Å; H626-M630 VanDerWaalsContact O-CG 3.29Å; H626-M630 WeakPolarHBondContact O-CG 3.35Å; H626-M630 PolarHBondContact O-N 3.48Å; N627-M630 PolarHBondContact O-N 2.97Å; M630-A633 PolarHBondContact O-N 3.25Å; M630-N634 VanDerWaalsContact O-CG 3.26Å; M630-N634 PolarHBondContact O-N 3.42Å; M630-N634 PolarHBondContact O-ND2 2.94Å
631E91.1Very high89.9Confident121 Ų121102 Ų10257%0.56551%0.513SS*.Hα-helixtrans-64.3-48.1174.3-170.4168.9-159.400111N627 E628 A633 N634 E635N627-E631 WeakPolarHBondContact O-CB 3.47Å; N627-E631 PolarHBondContact O-N 2.96Å; E628-E631 PolarHBondContact O-N 3.03Å; E631-A633 VanDerWaalsContact C-N 3.32Å; E631-A633 PolarHBondContact O-N 3.25Å; E631-N634 WeakPolarHBondContact O-CB 3.23Å; E631-N634 PolarHBondContact O-N 2.92Å; E631-N634 VanDerWaalsContact O-N 3.14Å; E631-E635 PolarHBondContact O-N 3.49Å
632S90.3Very high90.6Very high54 Ų5499.9 Ų99.938%0.37851%0.506SS..Hα-helixtrans-61-38.9176.1-172.60000112.7E628 L629 E635 I636E628-S632 WeakPolarHBondContact O-CB 3.5Å; E628-S632 PolarHBondContact O-N 3.5Å; L629-S632 PolarHBondContact O-N 3.4Å; S632-E635 PolarHBondContact O-N 3.37Å; S632-I636 VanDerWaalsContact O-CG1 3.28Å; S632-I636 WeakPolarHBondContact O-CG1 3.25Å; S632-I636 PolarHBondContact O-N 2.69Å
633A92.2Very high91.2Very high47 Ų4799 Ų9939%0.38851%0.505SS..Hα-helixtrans-64.7-40.417500000112.2L629 M630 E631 I636 E637L629-A633 WeakPolarHBondContact O-CB 3.45Å; L629-A633 PolarHBondContact O-N 2.94Å; M630-A633 PolarHBondContact O-N 3.25Å; E631-A633 VanDerWaalsContact C-N 3.32Å; E631-A633 PolarHBondContact O-N 3.25Å; A633-I636 PolarHBondContact O-N 3.35Å; A633-E637 PolarHBondContact O-N 3.43Å; A633-E637 VanDerWaalsContact O-N 3.15Å
634N91.7Very high91.7Very high102 Ų10299.6 Ų99.655%0.54550%0.5SS..Hα-helixtrans-65.5-43174.9-72.8-25.8000111.5M630 E631 I636 E637 T638M630-N634 VanDerWaalsContact O-CG 3.26Å; M630-N634 PolarHBondContact O-N 3.42Å; M630-N634 PolarHBondContact O-ND2 2.94Å; E631-N634 WeakPolarHBondContact O-CB 3.23Å; E631-N634 PolarHBondContact O-N 2.92Å; E631-N634 VanDerWaalsContact O-N 3.14Å; N634-I636 PolarHBondContact O-N 2.96Å; N634-E637 PolarHBondContact O-N 3.06Å; N634-E637 VanDerWaalsContact O-N 3.16Å; N634-T638 WeakPolarHBondContact O-CG2 3.28Å; N634-T638 PolarHBondContact O-N 3.16Å
635E92.5Very high92Very high99 Ų9996.6 Ų96.646%0.46349%0.491SS..Hα-helixtrans-58.7-46.2175-74.3-176.3169.900111.7E631 S632 E637 T638 Y639E631-E635 PolarHBondContact O-N 3.49Å; S632-E635 PolarHBondContact O-N 3.37Å; E635-E637 PolarHBondContact O-N 2.84Å; E635-T638 PolarHBondContact O-N 3.26Å; E635-T638 VanDerWaalsContact O-N 3.09Å; E635-T638 PolarHBondContact O-OG1 3.5Å; E635-Y639 WeakPolarHBondContact O-CD2 3.29Å; E635-Y639 PolarHBondContact O-N 3.09Å
636I90.8Very high92.3Very high88 Ų8895.6 Ų95.645%0.45149%0.486SS..Hα-helixtrans-56.9-40.9176.1-71165.4000111.1S632 A633 N634 Y639 K640S632-I636 VanDerWaalsContact O-CG1 3.28Å; S632-I636 WeakPolarHBondContact O-CG1 3.25Å; S632-I636 PolarHBondContact O-N 2.69Å; A633-I636 PolarHBondContact O-N 3.35Å; N634-I636 PolarHBondContact O-N 2.96Å; I636-Y639 PolarHBondContact O-N 3.17Å; I636-K640 WeakPolarHBondContact O-CG 2.79Å; I636-K640 PolarHBondContact O-N 2.86Å
637E92.4Very high92.6Very high109 Ų10997.3 Ų97.351%0.50949%0.488SS..Hα-helixtrans-67.4-37.3178.5-158.660.8-160.500112A633 N634 E635 K640 Q641A633-E637 PolarHBondContact O-N 3.43Å; A633-E637 VanDerWaalsContact O-N 3.15Å; N634-E637 PolarHBondContact O-N 3.06Å; N634-E637 VanDerWaalsContact O-N 3.16Å; E635-E637 PolarHBondContact O-N 2.84Å; E637-K640 PolarHBondContact O-N 2.77Å; E637-K640 WeakPolarHBondContact OE2-CD 3.47Å; E637-K640 IonicContact OE2-NZ 3.72Å; E637-K640 PolarHBondContact OE2-NZ 3.37Å; E637-Q641 PolarHBondContact O-N 3.39Å
638T93.5Very high92.9Very high87 Ų8798 Ų9853%0.53449%0.486SS..Hα-helixtrans-63.9-39.9172.566.40000112.7N634 E635 Q641 L642N634-T638 WeakPolarHBondContact O-CG2 3.28Å; N634-T638 PolarHBondContact O-N 3.16Å; E635-T638 PolarHBondContact O-N 3.26Å; E635-T638 VanDerWaalsContact O-N 3.09Å; E635-T638 PolarHBondContact O-OG1 3.5Å; T638-Q641 PolarHBondContact O-N 2.79Å; T638-L642 PolarHBondContact O-N 2.88Å
639Y93.2Very high93Very high152 Ų15299.5 Ų99.560%0.59649%0.493SS*.Hα-helixtrans-68.1-36.2176.7-76.7-60.7000112.9E635 I636 L642 T643E635-Y639 WeakPolarHBondContact O-CD2 3.29Å; E635-Y639 PolarHBondContact O-N 3.09Å; I636-Y639 PolarHBondContact O-N 3.17Å; Y639-L642 PolarHBondContact O-N 2.79Å; Y639-T643 WeakPolarHBondContact O-CB 3.31Å; Y639-T643 PolarHBondContact O-N 3.02Å; Y639-T643 PolarHBondContact O-OG1 3.42Å
640K94.8Very high92.9Very high115 Ų11598.8 Ų98.850%0.549%0.49SS..Hα-helixtrans-62.2-45.4171.9-75.2177.1-170163.90111.3I636 E637 L642 T643 E644I636-K640 WeakPolarHBondContact O-CG 2.79Å; I636-K640 PolarHBondContact O-N 2.86Å; E637-K640 PolarHBondContact O-N 2.77Å; E637-K640 WeakPolarHBondContact OE2-CD 3.47Å; E637-K640 IonicContact OE2-NZ 3.72Å; E637-K640 PolarHBondContact OE2-NZ 3.37Å; K640-L642 PolarHBondContact O-N 3.1Å; K640-T643 WeakPolarHBondContact O-CB 3.46Å; K640-T643 PolarHBondContact O-N 2.85Å; K640-E644 PolarHBondContact O-N 3.48Å
641Q94Very high93Very high102 Ų10297 Ų9748%0.47749%0.489SS..Hα-helixtrans-61.2-45.7177.8-174.95844.300111.6E637 T638 T643 E644 D645E637-Q641 PolarHBondContact O-N 3.39Å; T638-Q641 PolarHBondContact O-N 2.79Å; Q641-T643 VanDerWaalsContact C-N 3.28Å; Q641-T643 PolarHBondContact O-N 3.16Å; Q641-E644 PolarHBondContact O-N 3.25Å; Q641-D645 PolarHBondContact NE2-OD1 3.2Å; Q641-D645 PolarHBondContact NE2-OD2 3.46Å; Q641-D645 PolarHBondContact O-N 2.95Å
642L94.8Very high93.1Very high95 Ų9593.6 Ų93.650%0.49748%0.481SS..Hα-helixtrans-58.7-39.4175.4-179.865.5000112.2T638 Y639 K640 D645 L646T638-L642 PolarHBondContact O-N 2.88Å; Y639-L642 PolarHBondContact O-N 2.79Å; K640-L642 PolarHBondContact O-N 3.1Å; L642-D645 PolarHBondContact O-N 2.97Å; L642-L646 HydrophobicContact CG-CD1 4.44Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 3.48Å
643T92.3Very high93.3Very high91 Ų9197.1 Ų97.156%0.55849%0.49SS*.Hα-helixtrans-66.3-41.5178.5-570000111.6Y639 K640 Q641 L646 R647Y639-T643 WeakPolarHBondContact O-CB 3.31Å; Y639-T643 PolarHBondContact O-N 3.02Å; Y639-T643 PolarHBondContact O-OG1 3.42Å; K640-T643 WeakPolarHBondContact O-CB 3.46Å; K640-T643 PolarHBondContact O-N 2.85Å; Q641-T643 VanDerWaalsContact C-N 3.28Å; Q641-T643 PolarHBondContact O-N 3.16Å; T643-L646 PolarHBondContact O-N 3.49Å; T643-R647 WeakPolarHBondContact O-CB 3.39Å; T643-R647 PolarHBondContact O-N 2.93Å
644E93.9Very high93.3Very high77 Ų7797.5 Ų97.536%0.3649%0.493SS..Hα-helixtrans-64.6-38.3174.5-92.6-61.8134.400112.5K640 Q641 R647 K648K640-E644 PolarHBondContact O-N 3.48Å; Q641-E644 PolarHBondContact O-N 3.25Å; E644-R647 WeakPolarHBondContact O-CB 3.43Å; E644-R647 PolarHBondContact O-N 2.89Å; E644-R647 IonicContact OE1-CZ 2.61Å; E644-R647 IonicContact OE1-NE 3.73Å; E644-R647 PolarHBondContact OE1-NE 2.99Å; E644-R647 IonicContact OE1-NH2 3.66Å; E644-R647 IonicContact OE2-CZ 3.41Å; E644-R647 IonicContact OE2-NE 3.86Å; E644-R647 PolarHBondContact OE2-NE 3.45Å; E644-R647 IonicContact OE2-NH2 2.75Å; E644-R647 PolarHBondContact OE2-NH2 3.39Å; E644-K648 WeakPolarHBondContact O-CG 3.49Å; E644-K648 PolarHBondContact O-N 3.27Å
645D94.1Very high93.5Very high71 Ų7199.6 Ų99.638%0.3850%0.5SS..Hα-helixtrans-69.7-38.6178.7-67.4-25.8000112Q641 L642 K648 Q649Q641-D645 PolarHBondContact NE2-OD1 3.2Å; Q641-D645 PolarHBondContact NE2-OD2 3.46Å; Q641-D645 PolarHBondContact O-N 2.95Å; L642-D645 PolarHBondContact O-N 2.97Å; D645-K648 PolarHBondContact O-N 2.87Å; D645-K648 IonicContact OD1-NZ 3.3Å; D645-K648 PolarHBondContact OD1-NZ 3.02Å; D645-Q649 PolarHBondContact O-N 2.97Å
646L93.9Very high93.5Very high91 Ų91100 Ų10048%0.47650%0.504SS..Hα-helixtrans-62.1-41.3170.2-72.7172.4000112L642 T643 K648 Q649 D650L642-L646 HydrophobicContact CG-CD1 4.44Å; L642-L646 WeakPolarHBondContact O-CG 3.45Å; L642-L646 PolarHBondContact O-N 3.48Å; T643-L646 PolarHBondContact O-N 3.49Å; L646-K648 VanDerWaalsContact C-N 3.34Å; L646-K648 PolarHBondContact O-N 2.99Å; L646-Q649 WeakPolarHBondContact O-CB 3.44Å; L646-Q649 PolarHBondContact O-N 3.17Å; L646-D650 PolarHBondContact O-N 2.9Å
647R93.9Very high93.6Very high144 Ų144101 Ų10154%0.54351%0.51SS..Hα-helixtrans-61.2-41.1176.3-169.5-176.671.179.74.4112.1T643 E644 D650 A651T643-R647 WeakPolarHBondContact O-CB 3.39Å; T643-R647 PolarHBondContact O-N 2.93Å; E644-R647 WeakPolarHBondContact O-CB 3.43Å; E644-R647 PolarHBondContact O-N 2.89Å; E644-R647 IonicContact OE1-CZ 2.61Å; E644-R647 IonicContact OE1-NE 3.73Å; E644-R647 PolarHBondContact OE1-NE 2.99Å; E644-R647 IonicContact OE1-NH2 3.66Å; E644-R647 IonicContact OE2-CZ 3.41Å; E644-R647 IonicContact OE2-NE 3.86Å; E644-R647 PolarHBondContact OE2-NE 3.45Å; E644-R647 IonicContact OE2-NH2 2.75Å; E644-R647 PolarHBondContact OE2-NH2 3.39Å; R647-D650 PolarHBondContact O-N 3.08Å; R647-A651 PolarHBondContact O-N 3.03Å; R647-A651 VanDerWaalsContact O-N 3.09Å
648K94.3Very high93.6Very high110 Ų110102.3 Ų102.348%0.47852%0.52SS..Hα-helixtrans-65.5-40.8174.5-70.3170.5-167.4159.30111.8E644 D645 L646 A651 A652E644-K648 WeakPolarHBondContact O-CG 3.49Å; E644-K648 PolarHBondContact O-N 3.27Å; D645-K648 PolarHBondContact O-N 2.87Å; D645-K648 IonicContact OD1-NZ 3.3Å; D645-K648 PolarHBondContact OD1-NZ 3.02Å; L646-K648 VanDerWaalsContact C-N 3.34Å; L646-K648 PolarHBondContact O-N 2.99Å; K648-A651 PolarHBondContact O-N 2.9Å; K648-A652 PolarHBondContact O-N 2.77Å
649Q94Very high93.6Very high128 Ų128103.2 Ų103.260%0.59852%0.521SS*.Hα-helixtrans-62.8-42.7176.7-176.3180-15.900111.7D645 L646 A652 K653D645-Q649 PolarHBondContact O-N 2.97Å; L646-Q649 WeakPolarHBondContact O-CB 3.44Å; L646-Q649 PolarHBondContact O-N 3.17Å; Q649-A652 PolarHBondContact O-N 3.37Å; Q649-K653 WeakPolarHBondContact O-CB 3.32Å; Q649-K653 PolarHBondContact O-N 3.25Å
650D92.3Very high93.6Very high103 Ų10399.4 Ų99.455%0.55151%0.514SS*.Hα-helixtrans-64.8-38.8176.5-80.5-24.2000112.1L646 R647 K653 A654L646-D650 PolarHBondContact O-N 2.9Å; R647-D650 PolarHBondContact O-N 3.08Å; D650-K653 PolarHBondContact O-N 3.33Å; D650-A654 WeakPolarHBondContact O-CB 3.42Å; D650-A654 PolarHBondContact O-N 3.27Å
651A93.3Very high93.5Very high51 Ų51102.4 Ų102.442%0.42152%0.522SS..Hα-helixtrans-62.2-47.4173.300000112R647 K648 K653 A654 E655R647-A651 PolarHBondContact O-N 3.03Å; R647-A651 VanDerWaalsContact O-N 3.09Å; K648-A651 PolarHBondContact O-N 2.9Å; A651-K653 VanDerWaalsContact C-N 3.32Å; A651-K653 PolarHBondContact O-N 3.05Å; A651-A654 WeakPolarHBondContact O-CB 3.48Å; A651-A654 PolarHBondContact O-N 3.18Å; A651-E655 PolarHBondContact O-N 3.48Å
652A94Very high93.5Very high49 Ų4999.5 Ų99.541%0.40552%0.519SS..Hα-helixtrans-62.9-38.1177.200000112.4K648 Q649 E655 L656K648-A652 PolarHBondContact O-N 2.77Å; Q649-A652 PolarHBondContact O-N 3.37Å; A652-E655 PolarHBondContact O-N 3.06Å; A652-L656 PolarHBondContact O-N 3.26Å
653K92.9Very high93.4Very high128 Ų128101 Ų10156%0.55752%0.524SS*.Hα-helixtrans-64.2-40.5174.6-175.7-178.4177-1750111.6Q649 D650 A651 L656 L657Q649-K653 WeakPolarHBondContact O-CB 3.32Å; Q649-K653 PolarHBondContact O-N 3.25Å; D650-K653 PolarHBondContact O-N 3.33Å; A651-K653 VanDerWaalsContact C-N 3.32Å; A651-K653 PolarHBondContact O-N 3.05Å; K653-L656 PolarHBondContact O-N 2.98Å; K653-L657 HydrophobicContact CG-CD1 4.48Å; K653-L657 WeakPolarHBondContact O-CG 3.29Å; K653-L657 PolarHBondContact O-N 2.97Å
654A93.4Very high93.2Very high55 Ų5599.6 Ų99.646%0.45552%0.516SS..Hα-helixtrans-64.2-41.3176.300000112D650 A651 L657 L658D650-A654 WeakPolarHBondContact O-CB 3.42Å; D650-A654 PolarHBondContact O-N 3.27Å; A651-A654 WeakPolarHBondContact O-CB 3.48Å; A651-A654 PolarHBondContact O-N 3.18Å; A654-L657 PolarHBondContact O-N 2.94Å; A654-L658 PolarHBondContact O-N 3.13Å
655E94.6Very high93.2Very high146 Ų14699.4 Ų99.468%0.68252%0.518SS*.Hα-helixtrans-62.3-45174.5-72.1-175.1170.300112.2A651 A652 L657 L658 L659A651-E655 PolarHBondContact O-N 3.48Å; A652-E655 PolarHBondContact O-N 3.06Å; E655-L657 VanDerWaalsContact C-N 3.34Å; E655-L657 PolarHBondContact O-N 3.4Å; E655-L658 WeakPolarHBondContact O-CB 3.33Å; E655-L658 PolarHBondContact O-N 3.34Å; E655-L658 VanDerWaalsContact O-N 3.16Å; E655-L659 PolarHBondContact O-N 3.02Å
656L93.7Very high93.1Very high108 Ų10898.9 Ų98.957%0.56552%0.523SS*.Hα-helixtrans-59.5-42.6175-93165.9000112.4A652 K653 L658 L659 V660A652-L656 PolarHBondContact O-N 3.26Å; K653-L656 PolarHBondContact O-N 2.98Å; L656-L658 VanDerWaalsContact C-N 3.29Å; L656-L658 PolarHBondContact O-N 3.05Å; L656-L659 PolarHBondContact O-N 3.43Å; L656-V660 WeakPolarHBondContact O-CG2 3.23Å; L656-V660 PolarHBondContact O-N 3.39Å
657L92.9Very high92.9Very high110 Ų11098.7 Ų98.758%0.57652%0.522SS*.Hα-helixtrans-62.9-36.8176.4-75.3171.3000112.1K653 A654 E655 R661K653-L657 HydrophobicContact CG-CD1 4.48Å; K653-L657 WeakPolarHBondContact O-CG 3.29Å; K653-L657 PolarHBondContact O-N 2.97Å; A654-L657 PolarHBondContact O-N 2.94Å; E655-L657 VanDerWaalsContact C-N 3.34Å; E655-L657 PolarHBondContact O-N 3.4Å; L657-R661 WeakPolarHBondContact O-CB 3.05Å; L657-R661 PolarHBondContact O-N 2.89Å
658L92.7Very high92.9Very high136 Ų13698 Ų9871%0.71252%0.524SS*.Hα-helixtrans-67.1-41.7176.9-148105.8000111.3A654 E655 L656 R661 G662A654-L658 PolarHBondContact O-N 3.13Å; E655-L658 WeakPolarHBondContact O-CB 3.33Å; E655-L658 PolarHBondContact O-N 3.34Å; E655-L658 VanDerWaalsContact O-N 3.16Å; L656-L658 VanDerWaalsContact C-N 3.29Å; L656-L658 PolarHBondContact O-N 3.05Å; L658-R661 PolarHBondContact O-N 3.42Å; L658-G662 PolarHBondContact O-N 3.45Å
659L93.5Very high92.9Very high105 Ų10596.6 Ų96.655%0.5553%0.528SS..Hα-helixtrans-62.1-50.9176.3-176.467.9000111.4E655 L656 R661 G662 E663E655-L659 PolarHBondContact O-N 3.02Å; L656-L659 PolarHBondContact O-N 3.43Å; L659-R661 VanDerWaalsContact C-N 3.27Å; L659-R661 PolarHBondContact O-N 3.13Å; L659-G662 WeakPolarHBondContact O-CA 3.5Å; L659-G662 PolarHBondContact O-N 3.39Å; L659-E663 PolarHBondContact O-N 3.23Å
660V93.1Very high92.8Very high73 Ų7398.5 Ų98.544%0.44253%0.529SS..Hα-helixtrans-58.9-40.1177.8171.20000111L656 G662 E663 C664L656-V660 WeakPolarHBondContact O-CG2 3.23Å; L656-V660 PolarHBondContact O-N 3.39Å; V660-G662 VanDerWaalsContact C-N 3.34Å; V660-G662 PolarHBondContact O-N 3.06Å; V660-E663 PolarHBondContact O-N 3.22Å; V660-C664 PolarHBondContact O-N 3.11Å; V660-C664 PolarHBondContact O-SG 3.16Å
661R93.3Very high92.7Very high177 Ų17797.3 Ų97.367%0.66852%0.522SS*.Hα-helixtrans-62.4-41.9175.5-173.6173.1-178.6166.51.2111.9L657 L658 L659 C664 D665L657-R661 WeakPolarHBondContact O-CB 3.05Å; L657-R661 PolarHBondContact O-N 2.89Å; L658-R661 PolarHBondContact O-N 3.42Å; L659-R661 VanDerWaalsContact C-N 3.27Å; L659-R661 PolarHBondContact O-N 3.13Å; R661-C664 PolarHBondContact O-N 2.97Å; R661-D665 PolarHBondContact O-N 2.61Å
662G92.5Very high92.7Very high41 Ų4197.2 Ų97.242%0.42352%0.521SS..Hα-helixtrans-59.7-43.617400000112.7L658 L659 V660 D665 A666L658-G662 PolarHBondContact O-N 3.45Å; L659-G662 WeakPolarHBondContact O-CA 3.5Å; L659-G662 PolarHBondContact O-N 3.39Å; V660-G662 VanDerWaalsContact C-N 3.34Å; V660-G662 PolarHBondContact O-N 3.06Å; G662-D665 PolarHBondContact O-N 3.12Å; G662-A666 WeakPolarHBondContact O-CB 3.38Å; G662-A666 PolarHBondContact O-N 2.78Å
663E92.2Very high92.6Very high128 Ų12898.7 Ų98.760%0.59853%0.525SS*.Hα-helixtrans-65.2-40.7175.4-68.2-176.3168.500112.3L659 V660 D665 A666 L667L659-E663 PolarHBondContact O-N 3.23Å; V660-E663 PolarHBondContact O-N 3.22Å; E663-D665 PolarHBondContact O-N 3.45Å; E663-A666 PolarHBondContact O-N 2.67Å; E663-L667 WeakPolarHBondContact O-CB 3.29Å; E663-L667 PolarHBondContact O-N 2.88Å
664C89.6Confident92.4Very high60 Ų6096.2 Ų96.241%0.40552%0.517SS..Hα-helixtrans-62.2-40.8174.7-71.10000112.3V660 R661 L667 K668V660-C664 PolarHBondContact O-N 3.11Å; V660-C664 PolarHBondContact O-SG 3.16Å; R661-C664 PolarHBondContact O-N 2.97Å; C664-L667 PolarHBondContact O-N 3.19Å; C664-K668 WeakPolarHBondContact O-CG 3.33Å; C664-K668 PolarHBondContact O-N 3.44Å
665D93Very high92.3Very high73 Ų7399.7 Ų99.739%0.3952%0.524SS..Hα-helixtrans-71.2-35.5178.9-70.6-22.7000111.8R661 G662 E663 K668 S669R661-D665 PolarHBondContact O-N 2.61Å; G662-D665 PolarHBondContact O-N 3.12Å; E663-D665 PolarHBondContact O-N 3.45Å; D665-K668 IonicContact OD1-NZ 3.8Å; D665-S669 PolarHBondContact O-N 2.76Å; D665-S669 VanDerWaalsContact O-N 3.08Å; D665-S669 PolarHBondContact O-OG 3.21Å
666A92.4Very high92.2Very high60 Ų6096.7 Ų96.750%0.49652%0.515SS..Hα-helixtrans-63.5-43.4170.100000111.7G662 E663 S669 R670G662-A666 WeakPolarHBondContact O-CB 3.38Å; G662-A666 PolarHBondContact O-N 2.78Å; E663-A666 PolarHBondContact O-N 2.67Å; A666-S669 WeakPolarHBondContact O-CB 3.14Å; A666-S669 PolarHBondContact O-N 3.2Å; A666-R670 PolarHBondContact O-N 2.81Å
667L89.4Confident92.1Very high87 Ų8795.5 Ų95.546%0.45551%0.51SS..Hα-helixtrans-63.6-44.5177.5-177.460.7000111.8E663 C664 S669 R670 I671E663-L667 WeakPolarHBondContact O-CB 3.29Å; E663-L667 PolarHBondContact O-N 2.88Å; C664-L667 PolarHBondContact O-N 3.19Å; L667-S669 VanDerWaalsContact C-N 3.29Å; L667-S669 PolarHBondContact O-N 2.84Å; L667-R670 PolarHBondContact O-N 2.85Å; L667-R670 VanDerWaalsContact O-N 3.15Å; L667-I671 HydrophobicContact CD1-CD1 4.43Å; L667-I671 HydrophobicContact CG-CD1 4.08Å; L667-I671 WeakPolarHBondContact O-CG1 3.17Å; L667-I671 PolarHBondContact O-N 2.85Å
668K93.6Very high92Very high131 Ų13193 Ų9357%0.5750%0.499SS*.Hα-helixtrans-57.9-42.4174.2-76.2173.1-173.1166.70112.1C664 D665 R670 I671 A672C664-K668 WeakPolarHBondContact O-CG 3.33Å; C664-K668 PolarHBondContact O-N 3.44Å; D665-K668 IonicContact OD1-NZ 3.8Å; K668-R670 VanDerWaalsContact C-N 3.32Å; K668-R670 PolarHBondContact O-N 2.92Å; K668-I671 PolarHBondContact O-N 2.95Å; K668-A672 PolarHBondContact O-N 3.49Å
669S93.9Very high91.9Very high80 Ų8089.3 Ų89.356%0.55949%0.488SS*.Hα-helixtrans-63.2-40177.3-59.10000111.5D665 A666 L667 A672 V673D665-S669 PolarHBondContact O-N 2.76Å; D665-S669 VanDerWaalsContact O-N 3.08Å; D665-S669 PolarHBondContact O-OG 3.21Å; A666-S669 WeakPolarHBondContact O-CB 3.14Å; A666-S669 PolarHBondContact O-N 3.2Å; L667-S669 VanDerWaalsContact C-N 3.29Å; L667-S669 PolarHBondContact O-N 2.84Å; S669-A672 PolarHBondContact O-N 2.89Å; S669-V673 WeakPolarHBondContact O-CG2 3.41Å; S669-V673 PolarHBondContact O-N 3.35Å
670R93.5Very high91.7Very high168 Ų16888.1 Ų88.163%0.63449%0.485SS*.Hα-helixtrans-66.9-41.3176.2-165.217477.2169.74.7112.4A666 L667 K668 A672 V673 I674A666-R670 PolarHBondContact O-N 2.81Å; L667-R670 PolarHBondContact O-N 2.85Å; L667-R670 VanDerWaalsContact O-N 3.15Å; K668-R670 VanDerWaalsContact C-N 3.32Å; K668-R670 PolarHBondContact O-N 2.92Å; R670-A672 VanDerWaalsContact C-N 3.34Å; R670-A672 PolarHBondContact O-N 3.46Å; R670-V673 PolarHBondContact O-N 3.28Å; R670-I674 HydrophobicContact CG-CD1 4.33Å; R670-I674 WeakPolarHBondContact O-CG1 3.28Å; R670-I674 PolarHBondContact O-N 2.93Å
671I89.6Confident91.4Very high78 Ų7888.1 Ų88.140%0.449%0.489SS..Hα-helixtrans-60.6-44.6175.6-69.4167.6000110.5L667 K668 V673 I674 E675L667-I671 HydrophobicContact CD1-CD1 4.43Å; L667-I671 HydrophobicContact CG-CD1 4.08Å; L667-I671 WeakPolarHBondContact O-CG1 3.17Å; L667-I671 PolarHBondContact O-N 2.85Å; K668-I671 PolarHBondContact O-N 2.95Å; I671-V673 VanDerWaalsContact C-N 3.28Å; I671-V673 PolarHBondContact O-N 3.48Å; I671-I674 PolarHBondContact O-N 2.86Å; I671-I674 VanDerWaalsContact O-N 3.12Å; I671-E675 HydrophobicContact CG2-CG 4.29Å; I671-E675 WeakPolarHBondContact O-CG 3.36Å; I671-E675 PolarHBondContact O-N 2.96Å
672A92.5Very high91.3Very high49 Ų4987.6 Ų87.641%0.40549%0.487SS..Hα-helixtrans-59.6-37.417800000112.9K668 S669 R670 T676K668-A672 PolarHBondContact O-N 3.49Å; S669-A672 PolarHBondContact O-N 2.89Å; R670-A672 VanDerWaalsContact C-N 3.34Å; R670-A672 PolarHBondContact O-N 3.46Å; A672-T676 PolarHBondContact O-N 2.94Å; A672-T676 VanDerWaalsContact O-N 3.16Å; A672-T676 PolarHBondContact O-OG1 2.82Å
673V93Very high91.3Very high80 Ų8088.4 Ų88.449%0.48549%0.489SS..Hα-helixtrans-65.8-46.2174.2174.50000111S669 R670 I671 E675 T676 D677S669-V673 WeakPolarHBondContact O-CG2 3.41Å; S669-V673 PolarHBondContact O-N 3.35Å; R670-V673 PolarHBondContact O-N 3.28Å; I671-V673 VanDerWaalsContact C-N 3.28Å; I671-V673 PolarHBondContact O-N 3.48Å; V673-E675 VanDerWaalsContact C-N 3.32Å; V673-E675 PolarHBondContact O-N 2.98Å; V673-T676 WeakPolarHBondContact CA-OG1 3.33Å; V673-T676 PolarHBondContact O-N 2.85Å; V673-T676 VanDerWaalsContact O-N 3.16Å; V673-T676 PolarHBondContact O-OG1 3.39Å; V673-D677 PolarHBondContact O-N 2.93Å
674I88.9Confident91.2Very high75 Ų7587.1 Ų87.139%0.38549%0.486SS..Hα-helixtrans-60.2-42.9177.5-66.8166.3000110.9R670 I671 T676 D677 V678R670-I674 HydrophobicContact CG-CD1 4.33Å; R670-I674 WeakPolarHBondContact O-CG1 3.28Å; R670-I674 PolarHBondContact O-N 2.93Å; I671-I674 PolarHBondContact O-N 2.86Å; I671-I674 VanDerWaalsContact O-N 3.12Å; I674-T676 VanDerWaalsContact C-N 3.32Å; I674-T676 PolarHBondContact O-N 3.33Å; I674-D677 PolarHBondContact O-N 3.23Å; I674-V678 HydrophobicContact CG2-CG2 4.25Å; I674-V678 WeakPolarHBondContact O-CB 3.09Å; I674-V678 VanDerWaalsContact O-CG2 3.31Å; I674-V678 WeakPolarHBondContact O-CG2 3.47Å; I674-V678 PolarHBondContact O-N 2.78Å
675E91.3Very high91.2Very high129 Ų12989.5 Ų89.560%0.60349%0.491SS*.Hα-helixtrans-60.3-41.2176.8-73.1178162.200112I671 V673 A679I671-E675 HydrophobicContact CG2-CG 4.29Å; I671-E675 WeakPolarHBondContact O-CG 3.36Å; I671-E675 PolarHBondContact O-N 2.96Å; V673-E675 VanDerWaalsContact C-N 3.32Å; V673-E675 PolarHBondContact O-N 2.98Å; E675-A679 WeakPolarHBondContact O-CB 3.09Å; E675-A679 PolarHBondContact O-N 2.92Å
676T92.5Very high91.1Very high82 Ų8292.3 Ų92.350%0.50350%0.502SS..Hα-helixtrans-64.7-40.7174.1430000112.6A672 V673 I674 A679 T680A672-T676 PolarHBondContact O-N 2.94Å; A672-T676 VanDerWaalsContact O-N 3.16Å; A672-T676 PolarHBondContact O-OG1 2.82Å; V673-T676 WeakPolarHBondContact CA-OG1 3.33Å; V673-T676 PolarHBondContact O-N 2.85Å; V673-T676 VanDerWaalsContact O-N 3.16Å; V673-T676 PolarHBondContact O-OG1 3.39Å; I674-T676 VanDerWaalsContact C-N 3.32Å; I674-T676 PolarHBondContact O-N 3.33Å; T676-A679 WeakPolarHBondContact O-CB 3.25Å; T676-A679 PolarHBondContact O-N 2.94Å; T676-T680 WeakPolarHBondContact O-CG2 3.12Å; T676-T680 PolarHBondContact O-N 3.22Å; T676-T680 PolarHBondContact O-OG1 3.06Å
677D90.9Very high91.1Very high84 Ų8496.9 Ų96.945%0.44951%0.506SS..Hα-helixtrans-69.6-35.6179.1-68.2-20000112.3V673 I674 A679 T680 S681V673-D677 PolarHBondContact O-N 2.93Å; I674-D677 PolarHBondContact O-N 3.23Å; D677-A679 VanDerWaalsContact C-N 3.32Å; D677-T680 WeakPolarHBondContact CA-OG1 2.91Å; D677-T680 PolarHBondContact O-N 3.29Å; D677-T680 PolarHBondContact O-OG1 3.48Å; D677-S681 VanDerWaalsContact O-CB 3.3Å; D677-S681 WeakPolarHBondContact O-CB 3.28Å; D677-S681 PolarHBondContact O-N 3.29Å
678V90.5Very high91.2Very high57 Ų5797.5 Ų97.535%0.34551%0.51SS..Hα-helixtrans-65.9-38.3172.6170.30000110.7I674 R682I674-V678 HydrophobicContact CG2-CG2 4.25Å; I674-V678 WeakPolarHBondContact O-CB 3.09Å; I674-V678 VanDerWaalsContact O-CG2 3.31Å; I674-V678 WeakPolarHBondContact O-CG2 3.47Å; I674-V678 PolarHBondContact O-N 2.78Å; V678-R682 WeakPolarHBondContact O-CB 3.37Å; V678-R682 VanDerWaalsContact O-CG 3.3Å; V678-R682 WeakPolarHBondContact O-CG 3.47Å; V678-R682 PolarHBondContact O-N 3.45Å
679A90Very high91Very high58 Ų5893.7 Ų93.748%0.47950%0.495SS..Hα-helixtrans-65.9-43.1176.900000112.2E675 T676 D677 R682 A683E675-A679 WeakPolarHBondContact O-CB 3.09Å; E675-A679 PolarHBondContact O-N 2.92Å; T676-A679 WeakPolarHBondContact O-CB 3.25Å; T676-A679 PolarHBondContact O-N 2.94Å; D677-A679 VanDerWaalsContact C-N 3.32Å; A679-R682 PolarHBondContact O-N 3.49Å; A679-A683 PolarHBondContact O-N 2.94Å; A679-A683 VanDerWaalsContact O-N 3.14Å
680T90.7Very high90.9Very high80 Ų8092.2 Ų92.249%0.49149%0.485SS..Hα-helixtrans-65.9-43.9175.856.40000111.3T676 D677 R682 A683 D684T676-T680 WeakPolarHBondContact O-CG2 3.12Å; T676-T680 PolarHBondContact O-N 3.22Å; T676-T680 PolarHBondContact O-OG1 3.06Å; D677-T680 WeakPolarHBondContact CA-OG1 2.91Å; D677-T680 PolarHBondContact O-N 3.29Å; D677-T680 PolarHBondContact O-OG1 3.48Å; T680-R682 PolarHBondContact O-N 3.43Å; T680-A683 WeakPolarHBondContact O-CB 3.41Å; T680-A683 PolarHBondContact O-N 3.18Å; T680-A683 VanDerWaalsContact O-N 3.14Å; T680-D684 PolarHBondContact O-N 3.35Å
681S87.3Confident90.7Very high74 Ų7487.9 Ų87.952%0.51747%0.472SS..Hα-helixtrans-59.1-43.1176.1174.50000112.6D677 A683 D684 H685D677-S681 VanDerWaalsContact O-CB 3.3Å; D677-S681 WeakPolarHBondContact O-CB 3.28Å; D677-S681 PolarHBondContact O-N 3.29Å; S681-A683 VanDerWaalsContact C-N 3.34Å; S681-A683 PolarHBondContact O-N 3.03Å; S681-D684 PolarHBondContact O-N 2.88Å; S681-H685 WeakPolarHBondContact O-CB 3.06Å; S681-H685 PolarHBondContact O-N 3.23Å
682R90.6Very high90.8Very high166 Ų16688 Ų8863%0.62648%0.476SS*.Hα-helixtrans-62.1-40.9175.4-75.9174.4179.5158.11.9112.2V678 A679 T680 H685 H686V678-R682 WeakPolarHBondContact O-CB 3.37Å; V678-R682 VanDerWaalsContact O-CG 3.3Å; V678-R682 WeakPolarHBondContact O-CG 3.47Å; V678-R682 PolarHBondContact O-N 3.45Å; A679-R682 PolarHBondContact O-N 3.49Å; T680-R682 PolarHBondContact O-N 3.43Å; R682-H685 PolarHBondContact O-N 3.23Å; R682-H686 PolarHBondContact O-CD2 2.86Å; R682-H686 PolarHBondContact O-N 3.35Å
683A91.4Very high90.8Very high57 Ų5793.8 Ų93.847%0.47149%0.487SS..Hα-helixtrans-63.5-43.3176.400000111.8A679 T680 S681 H686 R687A679-A683 PolarHBondContact O-N 2.94Å; A679-A683 VanDerWaalsContact O-N 3.14Å; T680-A683 WeakPolarHBondContact O-CB 3.41Å; T680-A683 PolarHBondContact O-N 3.18Å; T680-A683 VanDerWaalsContact O-N 3.14Å; S681-A683 VanDerWaalsContact C-N 3.34Å; S681-A683 PolarHBondContact O-N 3.03Å; A683-H686 PolarHBondContact O-N 2.83Å; A683-R687 PolarHBondContact O-N 3.07Å
684D90.4Very high90.8Very high101 Ų10196 Ų9654%0.5449%0.487SS..Hα-helixtrans-65.7-40.7177.2-75.7-19.1000112.2T680 S681 H686 R687 L688T680-D684 PolarHBondContact O-N 3.35Å; S681-D684 PolarHBondContact O-N 2.88Å; D684-H686 PolarHBondContact O-N 3Å; D684-R687 WeakPolarHBondContact O-CB 3.14Å; D684-R687 PolarHBondContact O-N 2.77Å; D684-L688 PolarHBondContact O-N 3.07Å
685H89Confident90.9Very high111 Ų11195 Ų9551%0.51449%0.49SS..Hα-helixtrans-61.2-44.4174.4-174.270.3000111.7S681 R682 R687 L688 I689S681-H685 WeakPolarHBondContact O-CB 3.06Å; S681-H685 PolarHBondContact O-N 3.23Å; R682-H685 PolarHBondContact O-N 3.23Å; H685-R687 VanDerWaalsContact C-N 3.31Å; H685-R687 PolarHBondContact O-N 2.79Å; H685-L688 PolarHBondContact O-N 2.81Å; H685-I689 VanDerWaalsContact NE2-CD1 3.31Å; H685-I689 WeakPolarHBondContact NE2-CD1 3.37Å; H685-I689 WeakPolarHBondContact O-CG1 3.3Å; H685-I689 PolarHBondContact O-N 2.82Å
686H92Very high91Very high132 Ų13294.6 Ų94.661%0.61149%0.488SS*.Hα-helixtrans-61.4-39.6174-77.4-38.8000112.6R682 A683 D684 I689 S690R682-H686 PolarHBondContact O-CD2 2.86Å; R682-H686 PolarHBondContact O-N 3.35Å; A683-H686 PolarHBondContact O-N 2.83Å; D684-H686 PolarHBondContact O-N 3Å; H686-I689 PolarHBondContact O-N 3.23Å; H686-S690 PolarHBondContact O-N 3.36Å
687R91.8Very high91.1Very high155 Ų15593.4 Ų93.459%0.58549%0.486SS*.Hα-helixtrans-62.3-47.5174.8-176.2-179.5172.7174.80.6111.3A683 D684 H685 I689 S690 E691A683-R687 PolarHBondContact O-N 3.07Å; D684-R687 WeakPolarHBondContact O-CB 3.14Å; D684-R687 PolarHBondContact O-N 2.77Å; H685-R687 VanDerWaalsContact C-N 3.31Å; H685-R687 PolarHBondContact O-N 2.79Å; R687-I689 VanDerWaalsContact C-N 3.34Å; R687-I689 PolarHBondContact O-N 2.85Å; R687-S690 WeakPolarHBondContact O-CB 3.41Å; R687-S690 PolarHBondContact O-N 3.03Å; R687-S690 VanDerWaalsContact O-N 3.09Å; R687-S690 PolarHBondContact O-OG 3.3Å; R687-E691 IonicContact CZ-OE1 2.81Å; R687-E691 IonicContact NE-OE1 2.67Å; R687-E691 PolarHBondContact NE-OE1 3.2Å; R687-E691 IonicContact NH2-OE1 3.63Å; R687-E691 WeakPolarHBondContact O-CG 3.35Å; R687-E691 PolarHBondContact O-N 3.43Å
688L91.1Very high91.2Very high101 Ų10192.9 Ų92.953%0.52948%0.481SS..Hα-helixtrans-60-42.4178-17763.9000112D684 H685 S690 E691 T692D684-L688 PolarHBondContact O-N 3.07Å; H685-L688 PolarHBondContact O-N 2.81Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 2.81Å; L688-E691 PolarHBondContact O-N 2.71Å; L688-T692 WeakPolarHBondContact O-CB 3.18Å; L688-T692 PolarHBondContact O-N 2.9Å; L688-T692 PolarHBondContact O-OG1 3.19Å
689I91Very high91.4Very high50 Ų5092.4 Ų92.426%0.25648%0.483SS..Hα-helixtrans-60.9-44.2174.1-70167.7000110.7H685 H686 R687 E691 T692 R693H685-I689 VanDerWaalsContact NE2-CD1 3.31Å; H685-I689 WeakPolarHBondContact NE2-CD1 3.37Å; H685-I689 WeakPolarHBondContact O-CG1 3.3Å; H685-I689 PolarHBondContact O-N 2.82Å; H686-I689 PolarHBondContact O-N 3.23Å; R687-I689 VanDerWaalsContact C-N 3.34Å; R687-I689 PolarHBondContact O-N 2.85Å; I689-E691 VanDerWaalsContact C-N 3.33Å; I689-E691 PolarHBondContact O-N 2.85Å; I689-T692 PolarHBondContact O-N 2.92Å; I689-R693 VanDerWaalsContact CG2-CZ 3.49Å; I689-R693 WeakPolarHBondContact O-CG 3.25Å; I689-R693 PolarHBondContact O-N 3.45Å
690S91Very high91.6Very high50 Ų5094 Ų9435%0.3548%0.483SS..Hα-helixtrans-64.2-38.1179.378.50000112.4H686 R687 L688 R694H686-S690 PolarHBondContact O-N 3.36Å; R687-S690 WeakPolarHBondContact O-CB 3.41Å; R687-S690 PolarHBondContact O-N 3.03Å; R687-S690 VanDerWaalsContact O-N 3.09Å; R687-S690 PolarHBondContact O-OG 3.3Å; L688-S690 VanDerWaalsContact C-N 3.33Å; L688-S690 PolarHBondContact O-N 2.81Å; S690-R694 PolarHBondContact O-N 2.74Å
691E90.2Very high91.8Very high77 Ų7796.1 Ų96.136%0.3649%0.488SS..Hα-helixtrans-69.4-40175.9-72178.3-175.500111.2R687 L688 I689 R694 A695R687-E691 IonicContact CZ-OE1 2.81Å; R687-E691 IonicContact NE-OE1 2.67Å; R687-E691 PolarHBondContact NE-OE1 3.2Å; R687-E691 IonicContact NH2-OE1 3.63Å; R687-E691 WeakPolarHBondContact O-CG 3.35Å; R687-E691 PolarHBondContact O-N 3.43Å; L688-E691 PolarHBondContact O-N 2.71Å; I689-E691 VanDerWaalsContact C-N 3.33Å; I689-E691 PolarHBondContact O-N 2.85Å; E691-R694 PolarHBondContact O-N 3.39Å; E691-A695 WeakPolarHBondContact O-CB 3.47Å; E691-A695 PolarHBondContact O-N 2.77Å
692T91.6Very high92.1Very high80 Ų8097.9 Ų97.949%0.49149%0.491SS..Hα-helixtrans-61.9-45175.2-54.30000111.2L688 I689 R694 A695 Q696L688-T692 WeakPolarHBondContact O-CB 3.18Å; L688-T692 PolarHBondContact O-N 2.9Å; L688-T692 PolarHBondContact O-OG1 3.19Å; I689-T692 PolarHBondContact O-N 2.92Å; T692-R694 VanDerWaalsContact C-N 3.33Å; T692-R694 PolarHBondContact O-N 3.18Å; T692-A695 PolarHBondContact O-N 3.05Å; T692-Q696 WeakPolarHBondContact O-CB 3.36Å; T692-Q696 PolarHBondContact O-N 3.28Å
693R92.6Very high92.3Very high171 Ų17194.1 Ų94.165%0.64548%0.483SS*.Hα-helixtrans-62.4-39.5175.4-73.4179-176.8147.51.8112.2I689 Q696 A697I689-R693 VanDerWaalsContact CG2-CZ 3.49Å; I689-R693 WeakPolarHBondContact O-CG 3.25Å; I689-R693 PolarHBondContact O-N 3.45Å; R693-Q696 PolarHBondContact O-N 3.35Å; R693-A697 PolarHBondContact O-N 3.08Å
694R92.2Very high92.5Very high127 Ų12797.7 Ų97.748%0.47949%0.493SS..Hα-helixtrans-65.2-46.6176.4-168-175.4-61.3129.31111.3M1 S690 E691 T692 Q696 A697 E698M1-R694 VanDerWaalsContact CE-CD 3.4Å; M1-R694 HydrophobicContact CE-CG 4.01Å; S690-R694 PolarHBondContact O-N 2.74Å; E691-R694 PolarHBondContact O-N 3.39Å; T692-R694 VanDerWaalsContact C-N 3.33Å; T692-R694 PolarHBondContact O-N 3.18Å; R694-Q696 VanDerWaalsContact C-N 3.28Å; R694-Q696 PolarHBondContact O-N 2.79Å; R694-A697 WeakPolarHBondContact O-CB 3.46Å; R694-A697 PolarHBondContact O-N 2.61Å; R694-A697 VanDerWaalsContact O-N 3.14Å; R694-E698 WeakPolarHBondContact O-CG 3.38Å; R694-E698 PolarHBondContact O-N 2.92Å
695A91.2Very high92.8Very high53 Ų5397.8 Ų97.844%0.43849%0.49SS..Hα-helixtrans-61.2-38176.400000112E691 T692 E698 A699E691-A695 WeakPolarHBondContact O-CB 3.47Å; E691-A695 PolarHBondContact O-N 2.77Å; T692-A695 PolarHBondContact O-N 3.05Å; A695-E698 PolarHBondContact O-N 2.92Å; A695-A699 WeakPolarHBondContact O-CB 3.45Å; A695-A699 PolarHBondContact O-N 2.85Å
696Q93Very high93.1Very high120 Ų12098.7 Ų98.756%0.56149%0.489SS*.Hα-helixtrans-66-39.1174.7-169.4177.32.700112.1T692 R693 R694 A699 N700T692-Q696 WeakPolarHBondContact O-CB 3.36Å; T692-Q696 PolarHBondContact O-N 3.28Å; R693-Q696 PolarHBondContact O-N 3.35Å; R694-Q696 VanDerWaalsContact C-N 3.28Å; R694-Q696 PolarHBondContact O-N 2.79Å; Q696-A699 PolarHBondContact O-N 2.82Å; Q696-N700 PolarHBondContact O-N 2.96Å; Q696-N700 PolarHBondContact O-ND2 3.35Å
697A94.1Very high93.2Very high57 Ų5795.8 Ų95.847%0.47148%0.478SS..Hα-helixtrans-63.6-44.9174.600000111.8R693 R694 N700 E701R693-A697 PolarHBondContact O-N 3.08Å; R694-A697 WeakPolarHBondContact O-CB 3.46Å; R694-A697 PolarHBondContact O-N 2.61Å; R694-A697 VanDerWaalsContact O-N 3.14Å; A697-N700 PolarHBondContact O-N 2.99Å; A697-E701 PolarHBondContact O-N 3.12Å
698E93.9Very high93.4Very high73 Ų7392.5 Ų92.534%0.34147%0.473SS..Hα-helixtrans-63.1-41.6176.1-72.3173-17500112.2M1 R694 A695 N700 E701 L702M1-E698 VanDerWaalsContact CE-CD 3.4Å; M1-E698 WeakPolarHBondContact CE-OE1 3.42Å; M1-E698 WeakPolarHBondContact CE-OE2 3.49Å; R694-E698 WeakPolarHBondContact O-CG 3.38Å; R694-E698 PolarHBondContact O-N 2.92Å; A695-E698 PolarHBondContact O-N 2.92Å; E698-N700 VanDerWaalsContact C-N 3.31Å; E698-N700 PolarHBondContact O-N 3.13Å; E698-E701 PolarHBondContact O-N 2.83Å; E698-L702 WeakPolarHBondContact O-CG 3.36Å; E698-L702 PolarHBondContact O-N 2.69Å
699A93.8Very high93.6Very high47 Ų4792.8 Ų92.839%0.38847%0.474SS..Hα-helixtrans-61.5-39.9175.400000112A695 Q696 L702 L703A695-A699 WeakPolarHBondContact O-CB 3.45Å; A695-A699 PolarHBondContact O-N 2.85Å; Q696-A699 PolarHBondContact O-N 2.82Å; A699-L702 PolarHBondContact O-N 2.89Å; A699-L703 VanDerWaalsContact O-CG 3.32Å; A699-L703 WeakPolarHBondContact O-CG 3.35Å; A699-L703 PolarHBondContact O-N 2.83Å
700N94.1Very high93.9Very high91 Ų9192.6 Ų92.649%0.48748%0.477SS..Hα-helixtrans-66.6-38.1176.4-70.2-19.7000112.2Q696 A697 E698 L703 L704Q696-N700 PolarHBondContact O-N 2.96Å; Q696-N700 PolarHBondContact O-ND2 3.35Å; A697-N700 PolarHBondContact O-N 2.99Å; E698-N700 VanDerWaalsContact C-N 3.31Å; E698-N700 PolarHBondContact O-N 3.13Å; N700-L703 PolarHBondContact O-N 3.46Å; N700-L704 PolarHBondContact O-N 2.84Å; N700-L704 VanDerWaalsContact O-N 3.16Å
701E95.4Very high94.1Very high126 Ų12697 Ų9759%0.58949%0.49SS*.Hα-helixtrans-64.4-47.2175.6-171.3173.7-169.200111.3A697 E698 L703 L704 E705A697-E701 PolarHBondContact O-N 3.12Å; E698-E701 PolarHBondContact O-N 2.83Å; E701-L703 VanDerWaalsContact C-N 3.3Å; E701-L703 PolarHBondContact O-N 2.9Å; E701-L704 WeakPolarHBondContact O-CB 3.48Å; E701-L704 PolarHBondContact O-N 2.8Å; E701-E705 PolarHBondContact O-N 2.78Å
702L94.4Very high94.3Very high110 Ų11098.4 Ų98.458%0.57650%0.497SS*.Hα-helixtrans-61.4-36.4175.9-69.9174.9000112.7E698 A699 L704 E705 R706E698-L702 WeakPolarHBondContact O-CG 3.36Å; E698-L702 PolarHBondContact O-N 2.69Å; A699-L702 PolarHBondContact O-N 2.89Å; L702-L704 VanDerWaalsContact C-N 3.31Å; L702-L704 PolarHBondContact O-N 2.79Å; L702-E705 PolarHBondContact O-N 3.14Å; L702-R706 VanDerWaalsContact O-CB 3.3Å; L702-R706 WeakPolarHBondContact O-CB 3.07Å; L702-R706 PolarHBondContact O-N 2.77Å
703L94.1Very high94.5Very high88 Ų8899.5 Ų99.546%0.46150%0.499SS..Hα-helixtrans-62.9-39.8173.9-78.3172000111.8A699 N700 E701 R706 D707A699-L703 VanDerWaalsContact O-CG 3.32Å; A699-L703 WeakPolarHBondContact O-CG 3.35Å; A699-L703 PolarHBondContact O-N 2.83Å; N700-L703 PolarHBondContact O-N 3.46Å; E701-L703 VanDerWaalsContact C-N 3.3Å; E701-L703 PolarHBondContact O-N 2.9Å; L703-R706 PolarHBondContact O-N 2.86Å; L703-D707 PolarHBondContact O-N 2.87Å
704L95.4Very high94.6Very high131 Ų13195.7 Ų95.769%0.68649%0.491SS*.Hα-helixtrans-69.7-39.9180-145.1145.9000111.4N700 E701 L702 D707 N708N700-L704 PolarHBondContact O-N 2.84Å; N700-L704 VanDerWaalsContact O-N 3.16Å; E701-L704 WeakPolarHBondContact O-CB 3.48Å; E701-L704 PolarHBondContact O-N 2.8Å; L702-L704 VanDerWaalsContact C-N 3.31Å; L702-L704 PolarHBondContact O-N 2.79Å; L704-D707 PolarHBondContact O-N 2.89Å; L704-N708 PolarHBondContact O-N 3.33Å
705E96.1Very high94.7Very high103 Ų10393.4 Ų93.448%0.48149%0.492SS..Hα-helixtrans-62.4-45.1170.8-71.9-172.5163.200111.9E701 L702 D707 N708 L709E701-E705 PolarHBondContact O-N 2.78Å; L702-E705 PolarHBondContact O-N 3.14Å; E705-D707 VanDerWaalsContact C-N 3.33Å; E705-D707 PolarHBondContact O-N 2.87Å; E705-N708 WeakPolarHBondContact O-CB 3.21Å; E705-N708 PolarHBondContact O-N 3.47Å; E705-N708 VanDerWaalsContact O-N 3.13Å; E705-L709 WeakPolarHBondContact O-CG 3.3Å; E705-L709 PolarHBondContact O-N 3.38Å
706R95.4Very high94.8Very high130 Ų13092.8 Ų92.849%0.49149%0.487SS..Hα-helixtrans-60.8-41.5177.4-169.8-84-59.6149.716.1111.6L702 L703 N708 S710L702-R706 VanDerWaalsContact O-CB 3.3Å; L702-R706 WeakPolarHBondContact O-CB 3.07Å; L702-R706 PolarHBondContact O-N 2.77Å; L703-R706 PolarHBondContact O-N 2.86Å; R706-N708 VanDerWaalsContact C-N 3.35Å; R706-S710 VanDerWaalsContact O-CB 3.3Å; R706-S710 WeakPolarHBondContact O-CB 3.48Å; R706-S710 PolarHBondContact O-N 3.31Å
707D95.4Very high94.9Very high71 Ų7190.7 Ų90.738%0.3848%0.479SS..Hα-helixtrans-64.3-38.4174.7-77.4-26.3000112.2L703 L704 E705 K711L703-D707 PolarHBondContact O-N 2.87Å; L704-D707 PolarHBondContact O-N 2.89Å; E705-D707 VanDerWaalsContact C-N 3.33Å; E705-D707 PolarHBondContact O-N 2.87Å; D707-K711 WeakPolarHBondContact O-CG 3.4Å; D707-K711 PolarHBondContact O-N 3.04Å; D707-K711 VanDerWaalsContact O-N 3.11Å
708N95.8Very high94.9Very high87 Ų8791.6 Ų91.647%0.46548%0.482SS..Hα-helixtrans-66.8-47.4176.4-172.233.8000112.1L704 E705 R706 S710 K711 Q712L704-N708 PolarHBondContact O-N 3.33Å; E705-N708 WeakPolarHBondContact O-CB 3.21Å; E705-N708 PolarHBondContact O-N 3.47Å; E705-N708 VanDerWaalsContact O-N 3.13Å; R706-N708 VanDerWaalsContact C-N 3.35Å; N708-S710 VanDerWaalsContact C-N 3.29Å; N708-S710 PolarHBondContact O-N 3.13Å; N708-K711 WeakPolarHBondContact O-CB 3.46Å; N708-K711 PolarHBondContact O-N 3.47Å; N708-K711 VanDerWaalsContact O-N 3.16Å; N708-Q712 WeakPolarHBondContact O-CG 3.36Å; N708-Q712 PolarHBondContact O-N 3.24Å
709L95.7Very high94.9Very high107 Ų10794 Ų9456%0.5649%0.493SS*.Hα-helixtrans-61.5-38.6175.9-71.8173.8000111.7E705 K711 Q712 L713E705-L709 WeakPolarHBondContact O-CG 3.3Å; E705-L709 PolarHBondContact O-N 3.38Å; L709-K711 VanDerWaalsContact C-N 3.34Å; L709-K711 PolarHBondContact O-N 2.93Å; L709-Q712 PolarHBondContact O-N 3.33Å; L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 PolarHBondContact O-N 2.89Å
710S95.8Very high94.8Very high46 Ų4695.9 Ų95.932%0.32250%0.496SS..Hα-helixtrans-61.7-40.2174.6-178.70000112.4R706 N708 L713 N714R706-S710 VanDerWaalsContact O-CB 3.3Å; R706-S710 WeakPolarHBondContact O-CB 3.48Å; R706-S710 PolarHBondContact O-N 3.31Å; N708-S710 VanDerWaalsContact C-N 3.29Å; N708-S710 PolarHBondContact O-N 3.13Å; S710-L713 PolarHBondContact O-N 2.78Å; S710-N714 VanDerWaalsContact O-CG 3.27Å; S710-N714 PolarHBondContact O-N 3.37Å; S710-N714 PolarHBondContact O-ND2 2.97Å
711K95.4Very high94.8Very high141 Ų14196.9 Ų96.961%0.61350%0.498SS*.Hα-helixtrans-63.8-42.3173.5-71.7169.3-177.9173.60112.1D707 N708 L709 N714 T715D707-K711 WeakPolarHBondContact O-CG 3.4Å; D707-K711 PolarHBondContact O-N 3.04Å; D707-K711 VanDerWaalsContact O-N 3.11Å; N708-K711 WeakPolarHBondContact O-CB 3.46Å; N708-K711 PolarHBondContact O-N 3.47Å; N708-K711 VanDerWaalsContact O-N 3.16Å; L709-K711 VanDerWaalsContact C-N 3.34Å; L709-K711 PolarHBondContact O-N 2.93Å; K711-N714 PolarHBondContact O-N 3.42Å; K711-T715 PolarHBondContact O-N 3.22Å; K711-T715 PolarHBondContact O-OG1 3.13Å
712Q95.4Very high94.6Very high108 Ų10896.5 Ų96.551%0.50550%0.496SS..Hα-helixtrans-64-43.1177.3-68.7179.86.100111.5N708 L709 N714 T715 A716N708-Q712 WeakPolarHBondContact O-CG 3.36Å; N708-Q712 PolarHBondContact O-N 3.24Å; L709-Q712 PolarHBondContact O-N 3.33Å; Q712-N714 PolarHBondContact O-N 3.15Å; Q712-T715 WeakPolarHBondContact O-CB 3.47Å; Q712-T715 PolarHBondContact O-N 3.38Å; Q712-A716 PolarHBondContact O-N 2.92Å
713L95.2Very high94.4Very high103 Ų10396.6 Ų96.654%0.53950%0.496SS..Hα-helixtrans-60.4-45.8176.2-17375.3000111.8L709 S710 T715 A716 N717L709-L713 WeakPolarHBondContact O-CB 3.27Å; L709-L713 PolarHBondContact O-N 2.89Å; S710-L713 PolarHBondContact O-N 2.78Å; L713-T715 VanDerWaalsContact C-N 3.26Å; L713-T715 PolarHBondContact O-N 3.24Å; L713-A716 PolarHBondContact O-N 2.95Å; L713-N717 WeakPolarHBondContact O-CB 3.23Å; L713-N717 PolarHBondContact O-N 2.96Å
714N94.3Very high94.2Very high90 Ų9098.4 Ų98.448%0.48150%0.502SS..Hα-helixtrans-61.6-36.4176.7-71-18.5000112.1S710 K711 Q712 S718S710-N714 VanDerWaalsContact O-CG 3.27Å; S710-N714 PolarHBondContact O-N 3.37Å; S710-N714 PolarHBondContact O-ND2 2.97Å; K711-N714 PolarHBondContact O-N 3.42Å; Q712-N714 PolarHBondContact O-N 3.15Å; N714-S718 WeakPolarHBondContact O-CB 3.12Å; N714-S718 PolarHBondContact O-N 3.41Å; N714-S718 PolarHBondContact O-OG 3.04Å
715T95Very high93.8Very high80 Ų8099 Ų9949%0.49150%0.499SS..Hα-helixtrans-65.8-46.5175.4-52.20000111.1K711 Q712 L713 S718 Q719K711-T715 PolarHBondContact O-N 3.22Å; K711-T715 PolarHBondContact O-OG1 3.13Å; Q712-T715 WeakPolarHBondContact O-CB 3.47Å; Q712-T715 PolarHBondContact O-N 3.38Å; L713-T715 VanDerWaalsContact C-N 3.26Å; L713-T715 PolarHBondContact O-N 3.24Å; T715-S718 WeakPolarHBondContact O-CB 3.47Å; T715-S718 PolarHBondContact O-N 3.34Å; T715-Q719 WeakPolarHBondContact O-CG 3.5Å; T715-Q719 PolarHBondContact O-N 2.99Å
716A93.2Very high93.3Very high40 Ų4098 Ų9833%0.33150%0.496SS..Hα-helixtrans-62.5-44.1177.100000111.9Q712 L713 S718 Q719 I720Q712-A716 PolarHBondContact O-N 2.92Å; L713-A716 PolarHBondContact O-N 2.95Å; A716-S718 VanDerWaalsContact C-N 3.32Å; A716-S718 PolarHBondContact O-N 3.3Å; A716-Q719 WeakPolarHBondContact O-CB 3.33Å; A716-Q719 PolarHBondContact O-N 3.08Å; A716-Q719 VanDerWaalsContact O-N 3.15Å; A716-I720 WeakPolarHBondContact O-CG1 3.44Å; A716-I720 PolarHBondContact O-N 3.36Å
717N94.2Very high92.6Very high76 Ų7697.3 Ų97.341%0.40650%0.502SS..Hα-helixtrans-60.3-41.9175.6-74.7-17.7000111.8L713 Q719 I720 E721L713-N717 WeakPolarHBondContact O-CB 3.23Å; L713-N717 PolarHBondContact O-N 2.96Å; N717-Q719 VanDerWaalsContact C-N 3.32Å; N717-Q719 PolarHBondContact O-N 2.98Å; N717-I720 PolarHBondContact O-N 3.23Å; N717-E721 PolarHBondContact O-N 3.4Å
718S94.7Very high91.9Very high75 Ų7596.1 Ų96.152%0.52450%0.502SS..Hα-helixtrans-62.6-38175.9-58.10000112.3N714 T715 A716 H722N714-S718 WeakPolarHBondContact O-CB 3.12Å; N714-S718 PolarHBondContact O-N 3.41Å; N714-S718 PolarHBondContact O-OG 3.04Å; T715-S718 WeakPolarHBondContact O-CB 3.47Å; T715-S718 PolarHBondContact O-N 3.34Å; A716-S718 VanDerWaalsContact C-N 3.32Å; A716-S718 PolarHBondContact O-N 3.3Å; S718-H722 WeakPolarHBondContact O-CB 3.36Å; S718-H722 PolarHBondContact O-N 2.91Å; S718-H722 VanDerWaalsContact O-N 3.08Å
719Q94.3Very high91Very high124 Ų12495.1 Ų95.158%0.57950%0.502SS*.Hα-helixtrans-67.1-41.1175.1-71.2176.2-4.200112T715 A716 N717 H722 L723T715-Q719 WeakPolarHBondContact O-CG 3.5Å; T715-Q719 PolarHBondContact O-N 2.99Å; A716-Q719 WeakPolarHBondContact O-CB 3.33Å; A716-Q719 PolarHBondContact O-N 3.08Å; A716-Q719 VanDerWaalsContact O-N 3.15Å; N717-Q719 VanDerWaalsContact C-N 3.32Å; N717-Q719 PolarHBondContact O-N 2.98Å; Q719-H722 PolarHBondContact O-N 3.3Å; Q719-L723 WeakPolarHBondContact O-CG 3.44Å; Q719-L723 PolarHBondContact O-N 3.22Å
720I92.2Very high89.9Confident86 Ų8694.1 Ų94.144%0.44150%0.5SS..Hα-helixtrans-62.1-47176.4-68.4166.7000110.5A716 N717 H722 L723 Q724A716-I720 WeakPolarHBondContact O-CG1 3.44Å; A716-I720 PolarHBondContact O-N 3.36Å; N717-I720 PolarHBondContact O-N 3.23Å; I720-H722 VanDerWaalsContact C-N 3.3Å; I720-H722 PolarHBondContact O-N 2.89Å; I720-L723 PolarHBondContact O-N 3.38Å; I720-Q724 HydrophobicContact CG2-CG 4.45Å; I720-Q724 WeakPolarHBondContact O-CG 3.44Å; I720-Q724 PolarHBondContact O-N 3.06Å
721E92.6Very high88.3Confident113 Ų11397.5 Ų97.553%0.52851%0.514SS..Hα-helixtrans-59.9-40.1176.2-77.4-169.7179.300112.4N717 Q724 K725N717-E721 PolarHBondContact O-N 3.4Å; E721-Q724 PolarHBondContact O-N 2.97Å; E721-K725 WeakPolarHBondContact O-CG 3.22Å; E721-K725 PolarHBondContact O-N 2.89Å
722H92.3Very high86.5Confident118 Ų11897.5 Ų97.555%0.54652%0.52SS..Hα-helixtrans-63.5-44.1176.6179.7-96.5000111.9S718 Q719 I720 K725 L726S718-H722 WeakPolarHBondContact O-CB 3.36Å; S718-H722 PolarHBondContact O-N 2.91Å; S718-H722 VanDerWaalsContact O-N 3.08Å; Q719-H722 PolarHBondContact O-N 3.3Å; I720-H722 VanDerWaalsContact C-N 3.3Å; I720-H722 PolarHBondContact O-N 2.89Å; H722-K725 PolarHBondContact O-N 3.47Å; H722-L726 WeakPolarHBondContact CE1-CD1 3.17Å; H722-L726 PolarHBondContact O-N 3.23Å
723L90.4Very high84.4Confident112 Ų11296.6 Ų96.659%0.58653%0.525SS*.Hα-helixtrans-63.9-40.7176-71173.3000111.9Q719 I720 K725 L726 L727Q719-L723 WeakPolarHBondContact O-CG 3.44Å; Q719-L723 PolarHBondContact O-N 3.22Å; I720-L723 PolarHBondContact O-N 3.38Å; L723-K725 PolarHBondContact O-N 3.29Å; L723-L726 PolarHBondContact O-N 2.69Å; L723-L727 WeakPolarHBondContact O-CB 3.45Å; L723-L727 PolarHBondContact O-N 3.43Å
724Q89.1Confident82Confident125 Ų12597.5 Ų97.558%0.58453%0.53SS*.Hα-helixtrans-62.2-42.2175.3-73.4175.8-9.500111.9I720 E721 L727 A728I720-Q724 HydrophobicContact CG2-CG 4.45Å; I720-Q724 WeakPolarHBondContact O-CG 3.44Å; I720-Q724 PolarHBondContact O-N 3.06Å; E721-Q724 PolarHBondContact O-N 2.97Å; Q724-L727 PolarHBondContact O-N 3.46Å; Q724-A728 WeakPolarHBondContact O-CB 3.39Å; Q724-A728 PolarHBondContact O-N 2.59Å
725K87Confident79.6Confident144 Ų14499 Ų9963%0.62654%0.543SS*.Hα-helixtrans-63.2-42.8175.2-77.8174.7-178.61660112.4E721 H722 L723 A728 S729E721-K725 WeakPolarHBondContact O-CG 3.22Å; E721-K725 PolarHBondContact O-N 2.89Å; H722-K725 PolarHBondContact O-N 3.47Å; L723-K725 PolarHBondContact O-N 3.29Å; K725-A728 PolarHBondContact O-N 3.03Å; K725-S729 PolarHBondContact O-N 3.48Å
726L86.6Confident77.1Confident81 Ų81104.4 Ų104.442%0.42456%0.56SS.*Hα-helixtrans-58.8-50.1174.3-89.6162.9000111H722 L723 A728 S729 T730H722-L726 WeakPolarHBondContact CE1-CD1 3.17Å; H722-L726 PolarHBondContact O-N 3.23Å; L723-L726 PolarHBondContact O-N 2.69Å; L726-A728 VanDerWaalsContact C-N 3.33Å; L726-A728 PolarHBondContact O-N 3.23Å; L726-S729 PolarHBondContact O-N 3.22Å; L726-S729 VanDerWaalsContact O-N 3.1Å; L726-S729 PolarHBondContact O-OG 3.32Å; L726-T730 PolarHBondContact O-N 2.82Å; L726-T730 PolarHBondContact O-OG1 2.84Å; L726-T730 VanDerWaalsContact O-OG1 3.1Å
727L79.9Confident74.6Confident116 Ų116108.2 Ų108.261%0.60758%0.579SS**Hα-helixtrans-62.2-40.9-178.9-150117.5000111.9L723 Q724 T730 L731L723-L727 WeakPolarHBondContact O-CB 3.45Å; L723-L727 PolarHBondContact O-N 3.43Å; Q724-L727 PolarHBondContact O-N 3.46Å; L727-T730 PolarHBondContact O-N 2.94Å; L727-L731 HydrophobicContact CD2-CD1 3.76Å; L727-L731 HydrophobicContact CG-CD1 4.48Å; L727-L731 WeakPolarHBondContact O-CB 3.19Å; L727-L731 WeakPolarHBondContact O-CG 3.48Å; L727-L731 PolarHBondContact O-N 3.11Å
728A80Confident71.7Confident46 Ų46113 Ų11338%0.3860%0.599SS.*Hα-helixtrans-61.6-42.1173.800000111.8Q724 K725 L726 L732Q724-A728 WeakPolarHBondContact O-CB 3.39Å; Q724-A728 PolarHBondContact O-N 2.59Å; K725-A728 PolarHBondContact O-N 3.03Å; L726-A728 VanDerWaalsContact C-N 3.33Å; L726-A728 PolarHBondContact O-N 3.23Å; A728-L732 WeakPolarHBondContact O-CB 3.4Å; A728-L732 VanDerWaalsContact O-CD1 3.24Å; A728-L732 WeakPolarHBondContact O-CD1 3.39Å; A728-L732 PolarHBondContact O-N 2.94Å
729S77.6Confident68.9Low67 Ų67117.5 Ų117.547%0.46962%0.615SS.*Hα-helixtrans-66.9-37.5178.273.30000113K725 L726 C733K725-S729 PolarHBondContact O-N 3.48Å; L726-S729 PolarHBondContact O-N 3.22Å; L726-S729 VanDerWaalsContact O-N 3.1Å; L726-S729 PolarHBondContact O-OG 3.32Å; S729-C733 PolarHBondContact O-N 2.93Å
730T73.4Confident65.9Low85 Ų85117.3 Ų117.352%0.52163%0.627SS.*Hα-helixtrans-68.7-46.3176.5-51.40000111L726 L727 L732 C733L726-T730 PolarHBondContact O-N 2.82Å; L726-T730 PolarHBondContact O-OG1 2.84Å; L726-T730 VanDerWaalsContact O-OG1 3.1Å; L727-T730 PolarHBondContact O-N 2.94Å; T730-L732 PolarHBondContact O-N 3.45Å; T730-C733 PolarHBondContact O-N 3.42Å
731L61.6Low62.9Low118 Ų118120.9 Ų120.962%0.61865%0.648SS**Hα-helixtrans-68.4-33.3-179.5-71.6173.2000113.1L727 C733L727-L731 HydrophobicContact CD2-CD1 3.76Å; L727-L731 HydrophobicContact CG-CD1 4.48Å; L727-L731 WeakPolarHBondContact O-CB 3.19Å; L727-L731 WeakPolarHBondContact O-CG 3.48Å; L727-L731 PolarHBondContact O-N 3.11Å; L731-C733 VanDerWaalsContact C-N 3.3Å; L731-C733 PolarHBondContact O-N 3.01Å
732L56.8Low60Low140 Ų140124.8 Ų124.873%0.73366%0.663SS**Hα-helixtrans-74.5-16.8175.3-94.5112.1000113.8A728 T730A728-L732 WeakPolarHBondContact O-CB 3.4Å; A728-L732 VanDerWaalsContact O-CD1 3.24Å; A728-L732 WeakPolarHBondContact O-CD1 3.39Å; A728-L732 PolarHBondContact O-N 2.94Å; T730-L732 PolarHBondContact O-N 3.45Å
733C51.4Low57.1Low90 Ų90127.1 Ų127.161%0.60868%0.679SS**Hα-helixtrans-85.3-15.2-178-116.70000114.4S729 T730 L731S729-C733 PolarHBondContact O-N 2.93Å; T730-C733 PolarHBondContact O-N 3.42Å; L731-C733 VanDerWaalsContact C-N 3.3Å; L731-C733 PolarHBondContact O-N 3.01Å
734D45.9Very low54.3Low121 Ų121125.9 Ų125.965%0.64769%0.685SS**THydrogen-bonded Turntrans-90.2-4.2-172.2-82.9-15.3000115.5
735T44.1Very low51.4Low121 Ų121127 Ų12774%0.74269%0.693SS**THydrogen-bonded Turntrans-100.51.4-175.460.80000115.7
736K42.4Very low48.8Very low195 Ų195126 Ų12685%0.84871%0.705SS**SBendtrans-116.71.4-177-90.7-177.3177.2177.40117.3
737T40.4Very low46.1Very low120 Ų120128.9 Ų128.974%0.73672%0.721SS**  trans-128.823.1-173.61.10000115.3I739T737-I739 VanDerWaalsContact C-N 3.31Å; T737-I739 PolarHBondContact O-N 2.84Å
738Q33.2Very low43.7Very low176 Ų176132.8 Ų132.882%0.82274%0.736SS**SBendtrans-84.610.8170.2-77.3-151.523.200115.2
739I35.5Very low41.1Very low169 Ų169138.3 Ų138.387%0.86776%0.757SS**SBendtrans-123.362.9174.4-47.1175.9000110.4T737T737-I739 VanDerWaalsContact C-N 3.31Å; T737-I739 PolarHBondContact O-N 2.84Å
740S31.9Very low38.8Very low120 Ų120140.1 Ų140.184%0.83977%0.77SS**  trans-176.767.9145.6-132.30000109.7
741N28.9Very low36.7Very low162 Ų162142.9 Ų142.987%0.86679%0.786SS**  trans-113.579.3179.2-140.45.4000109.1
742K31.5Very low35.2Very low195 Ų195142.3 Ų142.385%0.84880%0.799SS**  trans-161.885164.3-106.1-178.8-174.4178.10107.7
743N32.4Very low33.9Very low167 Ų167143 Ų14389%0.89380%0.803SS**  trans-167.3113.7134.6-88.3-18.5000108.4
744A31Very low32.9Very low85 Ų85144.1 Ų144.170%0.70281%0.812SS**  trans-77.9139.4-173.400000111.1
745I27.4Very low32.1Very low149 Ų149146 Ų14676%0.76482%0.822SS**  trans57.599.6134.4-51.7165.1000115.3
746S33.8Very low31.6Very low123 Ų123146.5 Ų146.586%0.8682%0.82SS**  trans-139.1125.2147.4-74.30000109.3
747N28.1Very low31.1Very low142 Ų142144.6 Ų144.676%0.75982%0.819SS**  trans-58.3125.2-175.2-62.2-39.8000113.4
748E30Very low30.7Very low198 Ų198145.5 Ų145.593%0.92582%0.819SS**  trans-139.890.6149.9-77.1-168.4164.500109.4
749I25.5Very low30.5Very low161 Ų161145.3 Ų145.383%0.82682%0.823SS**  trans-93.9105.5162.1-63.7167.6000104.9
750S29Very low30Very low105 Ų105142.7 Ų142.773%0.73482%0.818SS**  trans171.196.9154.2-79.40000110.5
751T29.5Very low30Very low143 Ų143142.2 Ų142.288%0.87781%0.812SS**  trans-173.688.9142.314.50000107.5
752A30.3Very low30Very low106 Ų106140.4 Ų140.488%0.87681%0.807SS**  trans-67.6134.2170.200000109.1S754A752-S754 PolarHBondContact O-N 3.35Å
753N30.6Very low29.9Very low154 Ų154137.6 Ų137.682%0.82480%0.802SS**  trans-58.5131-175.5-72.1-38.4000112.7L755N753-L755 PolarHBondContact O-N 3.05Å
754S29.8Very low29.7Very low115 Ų115138.2 Ų138.280%0.80480%0.799SS**  trans-49.4114.9163.5167.50000111A752A752-S754 PolarHBondContact O-N 3.35Å
755L29.6Very low29.3Very low160 Ų160143.9 Ų143.984%0.83880%0.804SS**  trans-73.6120.6166.6-94.8137.2000108.4N753 D757N753-L755 PolarHBondContact O-N 3.05Å; L755-D757 PolarHBondContact O-N 3.18Å
756N31.9Very low29.5Very low131 Ų131142.5 Ų142.570%0.70181%0.805SS**  trans-8099.6178.8-154.117.1000108.7N758N756-N758 PolarHBondContact ND2-ND2 3.23Å; N756-N758 PolarHBondContact O-N 3.25Å; N756-N758 VanDerWaalsContact O-N 3.13Å
757D31.8Very low29.2Very low156 Ų156143.2 Ų143.283%0.83480%0.804SS**  trans-69.994.8168.9-79.4-33000109.4L755L755-D757 PolarHBondContact O-N 3.18Å
758N32.1Very low29.2Very low138 Ų138147.6 Ų147.674%0.73881%0.81SS**  trans-104.9115.1167.4-86.3-41.6000110.9N756N756-N758 PolarHBondContact ND2-ND2 3.23Å; N756-N758 PolarHBondContact O-N 3.25Å; N756-N758 VanDerWaalsContact O-N 3.13Å
759L30.1Very low29.1Very low172 Ų172144.2 Ų144.290%0.90180%0.803SS**PPolyproline II helixtrans-53.6129.9-178.4-141.671.2000112.5
760C24.8Very low29.3Very low114 Ų114141.1 Ų141.177%0.7780%0.795SS**PPolyproline II helixtrans-72.3125.5177-170.10000111.3
761P31.7Very low29.4Very low111 Ų111143.8 Ų143.872%0.72180%0.801SS**PPolyproline II helixtrans-87.9117.5169.830.5-24.2000110.3N763P761-N763 PolarHBondContact O-N 3.14Å; P761-N763 VanDerWaalsContact O-N 3.13Å
762T29.2Very low29.6Very low123 Ų123142.9 Ų142.976%0.75580%0.795SS**  trans-57.4105.2175-52.20000111.6Q764T762-Q764 HydrophobicContact CG2-CG 4.44Å; T762-Q764 PolarHBondContact O-N 3.46Å
763N29Very low29.8Very low137 Ų137143.5 Ų143.573%0.73379%0.79SS**  trans-78.7102.2167.8-91-30.3000110P761 Y765P761-N763 PolarHBondContact O-N 3.14Å; P761-N763 VanDerWaalsContact O-N 3.13Å; N763-Y765 HydrophobicContact CB-CE2 4.36Å; N763-Y765 PolarHBondContact O-N 3.17Å
764Q28.8Very low29.8Very low180 Ų180144 Ų14484%0.84179%0.792SS**  trans-79.3107166.8-78.1177.9-12.900109.4T762T762-Q764 HydrophobicContact CG2-CG 4.44Å; T762-Q764 PolarHBondContact O-N 3.46Å
765Y23.4Very low30Very low204 Ų204145.9 Ų145.980%0.879%0.788SS**  trans-79.9125167.6-79.6-90.2000110.1N763N763-Y765 HydrophobicContact CB-CE2 4.36Å; N763-Y765 PolarHBondContact O-N 3.17Å
766P30.4Very low30.2Very low120 Ų120144.5 Ų144.578%0.77978%0.777SS**  trans-83.8114.7165.321.4-10000109.7R768P766-R768 PolarHBondContact O-N 3.39Å
767T28.2Very low30.5Very low137 Ų137145.2 Ų145.284%0.8478%0.776SS**  trans-59.8107.2165.823.60000110.3
768R27.5Very low30.9Very low235 Ų235147.2 Ų147.289%0.88777%0.773SS**  trans-112.797.2165.3-155.9175.7-172176.81.6109.1P766 S770P766-R768 PolarHBondContact O-N 3.39Å; R768-S770 PolarHBondContact O-N 3.46Å
769T27.8Very low31.5Very low127 Ų127150 Ų15078%0.77978%0.779SS**  trans-77.3108.6170.343.40000108.9
770S30.4Very low32.2Very low96 Ų96145.1 Ų145.167%0.67176%0.759SS**  trans-127.199.6163.459.90000108.7R768 V772R768-S770 PolarHBondContact O-N 3.46Å; S770-V772 PolarHBondContact O-N 2.91Å
771N31.2Very low33.4Very low160 Ų160146.5 Ų146.586%0.85676%0.758SS**  trans-67.5108.7171.1-65.6-31.7000108.8
772V33.1Very low34.5Very low124 Ų124148.8 Ų148.875%0.75276%0.757SS**  trans-116.2115.5163.2-178.10000106.9S770 L774S770-V772 PolarHBondContact O-N 2.91Å; V772-L774 PolarHBondContact O-N 2.98Å
773P34.2Very low36.1Very low119 Ų119146.1 Ų146.177%0.77375%0.748SS**  trans-75.3124-176.70.413.5000111H775P773-H775 PolarHBondContact O-N 3.3Å
774L31.9Very low38Very low164 Ų164143.6 Ų143.686%0.85974%0.737SS**  trans-71.9105.1168.1-77.7162000109.2V772 E776V772-L774 PolarHBondContact O-N 2.98Å; L774-E776 PolarHBondContact O-N 3.44Å
775H33.7Very low40.4Very low155 Ų155139.3 Ų139.372%0.71872%0.719SS**  trans-89.479.8169.3-150.2-86000108.2P773 H777P773-H775 PolarHBondContact O-N 3.3Å; H775-H777 AromaticContact CE1-NE2 3.97Å; H775-H777 AromaticContact ND1-CD2 3.66Å; H775-H777 AromaticContact ND1-CE1 3.85Å; H775-H777 AromaticContact ND1-NE2 3.32Å; H775-H777 PolarHBondContact ND1-NE2 3.33Å; H775-H777 PolarHBondContact O-N 3.5Å
776E33.8Very low43.4Very low131 Ų131133.3 Ų133.361%0.61271%0.705SS**  trans-69.5106.8169.6-81.4-173.6162.400109.1L774 Y778L774-E776 PolarHBondContact O-N 3.44Å; E776-Y778 HydrophobicContact CB-CD2 4.43Å; E776-Y778 HydrophobicContact CB-CE2 4.09Å; E776-Y778 WeakPolarHBondContact O-CD2 3.39Å; E776-Y778 PolarHBondContact O-N 3.38Å
777H38.3Very low46.1Very low146 Ų146131.5 Ų131.568%0.67669%0.691SS**  trans-70.389.4172.5-82.5-92.5000110.1H775 F779H775-H777 AromaticContact CE1-NE2 3.97Å; H775-H777 AromaticContact ND1-CD2 3.66Å; H775-H777 AromaticContact ND1-CE1 3.85Å; H775-H777 AromaticContact ND1-NE2 3.32Å; H775-H777 PolarHBondContact ND1-NE2 3.33Å; H775-H777 PolarHBondContact O-N 3.5Å; H777-F779 PolarHBondContact O-N 2.94Å
778Y40.2Very low48.9Very low199 Ų199130 Ų13078%0.7868%0.676SS**  trans-62.9100.3160.1-73.6-92.7000108.1E776 S780E776-Y778 HydrophobicContact CB-CD2 4.43Å; E776-Y778 HydrophobicContact CB-CE2 4.09Å; E776-Y778 WeakPolarHBondContact O-CD2 3.39Å; E776-Y778 PolarHBondContact O-N 3.38Å; Y778-S780 VanDerWaalsContact C-N 3.32Å; Y778-S780 PolarHBondContact O-N 2.95Å
779F42.9Very low52.1Low196 Ų196124 Ų12486%0.8666%0.661SS**  trans-61.399.4166.2-95.7-90.4000107.8H777 L781H777-F779 PolarHBondContact O-N 2.94Å; F779-L781 PolarHBondContact O-N 3.34Å
780S46.4Very low55.2Low69 Ų69124 Ų12448%0.48366%0.655SS.*  trans-56.4119.7-177.41780000110.2Y778 F782 A783Y778-S780 VanDerWaalsContact C-N 3.32Å; Y778-S780 PolarHBondContact O-N 2.95Å; S780-F782 PolarHBondContact O-N 2.99Å; S780-F782 WeakPolarHBondContact OG-CD2 3.46Å; S780-A783 PolarHBondContact O-N 3.31Å
781L48.5Very low58.2Low144 Ų144123.5 Ų123.575%0.75464%0.644SS**G310 helixtrans-49.3-18175.2-149.879.4000113F779 A783 V784F779-L781 PolarHBondContact O-N 3.34Å; L781-A783 VanDerWaalsContact C-N 3.31Å; L781-A783 PolarHBondContact O-N 2.99Å; L781-V784 PolarHBondContact O-N 3.4Å
782F56.3Low61.2Low158 Ų158119.4 Ų119.469%0.69363%0.627SS**G310 helixtrans-65.2-25.1175.4-76.8-83.9000114.7S780 V784 I785 P786S780-F782 PolarHBondContact O-N 2.99Å; S780-F782 WeakPolarHBondContact OG-CD2 3.46Å; F782-V784 VanDerWaalsContact C-N 3.27Å; F782-V784 PolarHBondContact O-N 3.44Å; F782-I785 HydrophobicContact CD1-CD1 4.27Å; F782-P786 WeakPolarHBondContact O-CD 3.32Å
783A62.4Low64.1Low68 Ų68116.2 Ų116.256%0.56261%0.614SS**G310 helixtrans-72.9-20.2178.500000113.2S780 L781S780-A783 PolarHBondContact O-N 3.31Å; L781-A783 VanDerWaalsContact C-N 3.31Å; L781-A783 PolarHBondContact O-N 2.99Å
784V68.2Low67Low83 Ų83116.9 Ų116.950%0.50361%0.605SS.*Hα-helixtrans-85.1-27.2-176.4-176.80000112L781 F782 V787 M788L781-V784 PolarHBondContact O-N 3.4Å; F782-V784 VanDerWaalsContact C-N 3.27Å; F782-V784 PolarHBondContact O-N 3.44Å; V784-V787 PolarHBondContact O-N 2.97Å; V784-M788 HydrophobicContact CG1-CG 3.93Å; V784-M788 WeakPolarHBondContact O-CG 3.24Å; V784-M788 PolarHBondContact O-N 3.08Å; V784-M788 VanDerWaalsContact O-N 3.08Å
785I80.3Confident70Confident91 Ų91113.2 Ų113.247%0.46759%0.585SS.*Hα-helixtrans-60-46.1-175.5-61.3172.3000112.8F782 V787 M788 I789F782-I785 HydrophobicContact CD1-CD1 4.27Å; I785-V787 VanDerWaalsContact C-N 3.34Å; I785-V787 PolarHBondContact O-N 3.1Å; I785-M788 PolarHBondContact O-N 3.19Å; I785-I789 HydrophobicContact CG2-CD1 3.94Å; I785-I789 WeakPolarHBondContact O-CG1 3.39Å; I785-I789 PolarHBondContact O-N 2.91Å; I785-I789 VanDerWaalsContact O-N 3.11Å
786P85.6Confident72.9Confident77 Ų77109.8 Ų109.850%0.558%0.575SS.*Hα-helixtrans-65.2-37.4179.6-18.530.8000112.9F782 I789 L790F782-P786 WeakPolarHBondContact O-CD 3.32Å; P786-I789 PolarHBondContact O-N 3.01Å; P786-L790 PolarHBondContact O-N 2.86Å
787V86.3Confident75.8Confident82 Ų82110.6 Ų110.650%0.49757%0.574SS.*Hα-helixtrans-65.8-43179.7-179.10000110.2V784 I785 I789 L790 I791V784-V787 PolarHBondContact O-N 2.97Å; I785-V787 VanDerWaalsContact C-N 3.34Å; I785-V787 PolarHBondContact O-N 3.1Å; V787-I789 VanDerWaalsContact C-N 3.34Å; V787-I789 PolarHBondContact O-N 3.37Å; V787-L790 PolarHBondContact O-N 2.98Å; V787-I791 HydrophobicContact CG1-CD1 4.01Å; V787-I791 WeakPolarHBondContact O-CG1 3.31Å; V787-I791 PolarHBondContact O-N 2.88Å
788M88.9Confident78.3Confident105 Ų105107.4 Ų107.452%0.51756%0.561SS.*Hα-helixtrans-65-36.4176.6-68.7-64-69.300112.5V784 I785 I791 C792V784-M788 HydrophobicContact CG1-CG 3.93Å; V784-M788 WeakPolarHBondContact O-CG 3.24Å; V784-M788 PolarHBondContact O-N 3.08Å; V784-M788 VanDerWaalsContact O-N 3.08Å; I785-M788 PolarHBondContact O-N 3.19Å; M788-I791 PolarHBondContact O-N 2.88Å; M788-I791 HydrophobicContact SD-CD1 4.49Å; M788-C792 WeakPolarHBondContact O-CB 3.35Å; M788-C792 PolarHBondContact O-N 2.82Å; M788-C792 PolarHBondContact O-SG 2.8Å
789I93.4Very high80.7Confident110 Ų110104.7 Ų104.756%0.56455%0.553SS**Hα-helixtrans-64.9-41.6175-68.5167000110.9I785 P786 V787 C792 A793I785-I789 HydrophobicContact CG2-CD1 3.94Å; I785-I789 WeakPolarHBondContact O-CG1 3.39Å; I785-I789 PolarHBondContact O-N 2.91Å; I785-I789 VanDerWaalsContact O-N 3.11Å; P786-I789 PolarHBondContact O-N 3.01Å; V787-I789 VanDerWaalsContact C-N 3.34Å; V787-I789 PolarHBondContact O-N 3.37Å; I789-C792 PolarHBondContact O-N 3.15Å; I789-A793 WeakPolarHBondContact O-CB 3Å; I789-A793 PolarHBondContact O-N 2.94Å
790L92.3Very high82.8Confident127 Ų127101 Ų10167%0.66554%0.542SS*.Hα-helixtrans-63.2-43.5176-92.7164.6000112.3P786 V787 A793 F794P786-L790 PolarHBondContact O-N 2.86Å; V787-L790 PolarHBondContact O-N 2.98Å; L790-A793 PolarHBondContact O-N 2.9Å; L790-F794 WeakPolarHBondContact O-CB 3.36Å; L790-F794 PolarHBondContact O-N 3.36Å
791I93.3Very high84.5Confident85 Ų85104.8 Ų104.844%0.43655%0.55SS..Hα-helixtrans-62.8-45.1177.1-67166.4000110.3V787 M788 A793 F794 I795V787-I791 HydrophobicContact CG1-CD1 4.01Å; V787-I791 WeakPolarHBondContact O-CG1 3.31Å; V787-I791 PolarHBondContact O-N 2.88Å; M788-I791 PolarHBondContact O-N 2.88Å; M788-I791 HydrophobicContact SD-CD1 4.49Å; I791-A793 PolarHBondContact O-N 3.1Å; I791-F794 PolarHBondContact O-N 3.39Å; I791-I795 HydrophobicContact CG2-CD1 3.87Å; I791-I795 VanDerWaalsContact O-CG1 3.3Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.13Å
792C94.8Very high85.8Confident74 Ų74106.5 Ų106.550%0.555%0.551SS.*Hα-helixtrans-61.6-42.8175.8-76.50000112.5M788 I789 F794 I795 V796M788-C792 WeakPolarHBondContact O-CB 3.35Å; M788-C792 PolarHBondContact O-N 2.82Å; M788-C792 PolarHBondContact O-SG 2.8Å; I789-C792 PolarHBondContact O-N 3.15Å; C792-F794 VanDerWaalsContact C-N 3.31Å; C792-F794 PolarHBondContact O-N 2.94Å; C792-I795 PolarHBondContact O-N 3.49Å; C792-V796 VanDerWaalsContact O-CG2 3.32Å; C792-V796 WeakPolarHBondContact O-CG2 3.45Å; C792-V796 PolarHBondContact O-N 2.98Å
793A94.7Very high86.7Confident58 Ų58105 Ų10548%0.47956%0.555SS.*Hα-helixtrans-63.2-38.9177.100000111.9I789 L790 I791 V796 Y797I789-A793 WeakPolarHBondContact O-CB 3Å; I789-A793 PolarHBondContact O-N 2.94Å; L790-A793 PolarHBondContact O-N 2.9Å; I791-A793 PolarHBondContact O-N 3.1Å; A793-V796 PolarHBondContact O-N 3.23Å; A793-Y797 WeakPolarHBondContact O-CB 3.39Å; A793-Y797 PolarHBondContact O-N 3.1Å
794F94.4Very high86.3Confident133 Ų133115.2 Ų115.258%0.58358%0.579SS**Hα-helixtrans-66.1-42.7177.3-168-102.7000112.1L790 I791 C792 V796 Y797 I798L790-F794 WeakPolarHBondContact O-CB 3.36Å; L790-F794 PolarHBondContact O-N 3.36Å; I791-F794 PolarHBondContact O-N 3.39Å; C792-F794 VanDerWaalsContact C-N 3.31Å; C792-F794 PolarHBondContact O-N 2.94Å; F794-V796 PolarHBondContact O-N 3.4Å; F794-Y797 PolarHBondContact O-N 2.96Å; F794-I798 HydrophobicContact CD1-CD1 3.88Å; F794-I798 HydrophobicContact CE1-CD1 3.45Å; F794-I798 VanDerWaalsContact CE1-CD1 3.45Å; F794-I798 HydrophobicContact CE1-CG1 4.29Å; F794-I798 HydrophobicContact CZ-CD1 4.08Å; F794-I798 WeakPolarHBondContact O-CG1 3.33Å; F794-I798 PolarHBondContact O-N 2.68Å
795I95.2Very high87.2Confident87 Ų87116.9 Ų116.945%0.44658%0.583SS.*Hα-helixtrans-62.1-44.4175.4-66.9165.8000110.7I791 C792 Y797 I798 F799I791-I795 HydrophobicContact CG2-CD1 3.87Å; I791-I795 VanDerWaalsContact O-CG1 3.3Å; I791-I795 WeakPolarHBondContact O-CG1 3.42Å; I791-I795 PolarHBondContact O-N 3.13Å; C792-I795 PolarHBondContact O-N 3.49Å; I795-Y797 VanDerWaalsContact C-N 3.33Å; I795-Y797 PolarHBondContact O-N 3.47Å; I795-I798 PolarHBondContact O-N 3.34Å; I795-F799 HydrophobicContact CG2-CD2 4.06Å; I795-F799 HydrophobicContact CG2-CE2 4.32Å; I795-F799 PolarHBondContact O-N 2.87Å
796V95.2Very high87.6Confident83 Ų83118.2 Ų118.250%0.50359%0.589SS.*Hα-helixtrans-62.4-40.9177.1169.30000111.3C792 A793 F794 F799 L800C792-V796 VanDerWaalsContact O-CG2 3.32Å; C792-V796 WeakPolarHBondContact O-CG2 3.45Å; C792-V796 PolarHBondContact O-N 2.98Å; A793-V796 PolarHBondContact O-N 3.23Å; F794-V796 PolarHBondContact O-N 3.4Å; V796-F799 PolarHBondContact O-N 2.94Å; V796-L800 HydrophobicContact CG1-CD1 3.7Å; V796-L800 PolarHBondContact O-N 3.2Å
797Y93.8Very high87.7Confident148 Ų148120.5 Ų120.558%0.5859%0.594SS**Hα-helixtrans-62.5-43176.4178.9-102000112.6A793 F794 I795 L800 K801A793-Y797 WeakPolarHBondContact O-CB 3.39Å; A793-Y797 PolarHBondContact O-N 3.1Å; F794-Y797 PolarHBondContact O-N 2.96Å; I795-Y797 VanDerWaalsContact C-N 3.33Å; I795-Y797 PolarHBondContact O-N 3.47Å; Y797-L800 PolarHBondContact O-N 3.03Å; Y797-K801 PolarHBondContact O-N 2.7Å; Y797-K801 VanDerWaalsContact O-N 3.08Å
798I90.5Very high87.8Confident79 Ų79122.8 Ų122.841%0.40560%0.599SS.*Hα-helixtrans-62-44.5175.2-70.5-179.2000110.9F794 I795 L800 K801 F802F794-I798 HydrophobicContact CD1-CD1 3.88Å; F794-I798 HydrophobicContact CE1-CD1 3.45Å; F794-I798 VanDerWaalsContact CE1-CD1 3.45Å; F794-I798 HydrophobicContact CE1-CG1 4.29Å; F794-I798 HydrophobicContact CZ-CD1 4.08Å; F794-I798 WeakPolarHBondContact O-CG1 3.33Å; F794-I798 PolarHBondContact O-N 2.68Å; I795-I798 PolarHBondContact O-N 3.34Å; I798-L800 PolarHBondContact O-N 2.62Å; I798-K801 PolarHBondContact O-N 3.5Å; I798-F802 PolarHBondContact O-N 3.27Å; I798-F802 VanDerWaalsContact O-N 3.16Å
799F90.6Very high87.7Confident142 Ų142123.9 Ų123.962%0.62361%0.605SS**Hα-helixtrans-62.2-42.5177.7-99.7-84000112.6I795 V796 K801 F802 V803I795-F799 HydrophobicContact CG2-CD2 4.06Å; I795-F799 HydrophobicContact CG2-CE2 4.32Å; I795-F799 PolarHBondContact O-N 2.87Å; V796-F799 PolarHBondContact O-N 2.94Å; F799-K801 VanDerWaalsContact C-N 3.27Å; F799-K801 PolarHBondContact O-N 3.13Å; F799-F802 PolarHBondContact O-N 3.29Å; F799-V803 WeakPolarHBondContact O-CG2 3.4Å; F799-V803 PolarHBondContact O-N 3.47Å; F799-V803 VanDerWaalsContact O-N 3.15Å
800L87.3Confident87.4Confident117 Ų117124.8 Ų124.861%0.61361%0.607SS**Hα-helixtrans-63.8-32.1176.2-91.6144.6000112.9V796 Y797 I798 F802 R804V796-L800 HydrophobicContact CG1-CD1 3.7Å; V796-L800 PolarHBondContact O-N 3.2Å; Y797-L800 PolarHBondContact O-N 3.03Å; I798-L800 PolarHBondContact O-N 2.62Å; L800-F802 VanDerWaalsContact C-N 3.34Å; L800-R804 WeakPolarHBondContact O-CB 3.46Å; L800-R804 PolarHBondContact O-N 3.49Å
801K83Confident87Confident150 Ų150124.6 Ų124.665%0.65260%0.603SS**Hα-helixtrans-74.7-24176.3-157.7-176.3179.7-172.50112.9Y797 I798 F799Y797-K801 PolarHBondContact O-N 2.7Å; Y797-K801 VanDerWaalsContact O-N 3.08Å; I798-K801 PolarHBondContact O-N 3.5Å; F799-K801 VanDerWaalsContact C-N 3.27Å; F799-K801 PolarHBondContact O-N 3.13Å
802F76.4Confident86.5Confident180 Ų180127.7 Ų127.779%0.78962%0.616SS**Hα-helixtrans-85.1-24.8176.2-111.2-83.5000113.5I798 F799 L800I798-F802 PolarHBondContact O-N 3.27Å; I798-F802 VanDerWaalsContact O-N 3.16Å; F799-F802 PolarHBondContact O-N 3.29Å; L800-F802 VanDerWaalsContact C-N 3.34Å
803V74.2Confident85.8Confident127 Ų127132.2 Ų132.277%0.7763%0.626SS**Hα-helixtrans-84.8-13178.6173.50000112.3F799F799-V803 WeakPolarHBondContact O-CG2 3.4Å; F799-V803 PolarHBondContact O-N 3.47Å; F799-V803 VanDerWaalsContact O-N 3.15Å
804R55Low85Confident282 Ų282138.9 Ų138.9100%1.06464%0.639SS**  trans-110.90-177.4-161.5-178.5-176.6131.90.6110.4L800L800-R804 WeakPolarHBondContact O-CB 3.46Å; L800-R804 PolarHBondContact O-N 3.49Å

Retrieved 804 of 804 residues in 224.5 ms (Link to these results)

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