A0A087WXU0_HUMAN Loading...

Required for meiotic nuclear division 1 homolog

AlphaFold DB , UniProt , Accession A0A087WXU0, Species HUMAN (Homo sapiens, Human), Gene RMND1, Length 279 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
1M93.4Very high95.7Very high32 Ų3220 Ų2016%0.15810%0.098CC..  0169.30-73.2163-74.300108.2K49 D52 N102 Y103 K105M1-K49 HydrophobicContact CG-CB 3.86Å; M1-K49 HydrophobicContact CG-CD 4Å; M1-K49 HydrophobicContact CG-CG 4.38Å; M1-D52 HydrophobicContact CE-CB 4.11Å; M1-D52 HydrophobicContact SD-CB 3.46Å; M1-D52 WeakPolarHBondContact SD-CB 3.49Å; M1-N102 WeakPolarHBondContact O-CA 3.33Å; M1-Y103 HydrophobicContact CB-CD1 3.67Å; M1-Y103 HydrophobicContact CB-CD2 4.33Å; M1-Y103 HydrophobicContact CB-CE1 3.16Å; M1-Y103 HydrophobicContact CB-CE2 3.91Å; M1-Y103 HydrophobicContact CB-CG 4.22Å; M1-Y103 HydrophobicContact CE-CD2 4.13Å; M1-Y103 HydrophobicContact CE-CE2 3.55Å; M1-Y103 HydrophobicContact CG-CE1 4.37Å; M1-Y103 PolarHBondContact N-O 3.1Å; M1-Y103 PolarHBondContact O-N 2.95Å; M1-Y103 HydrophobicContact SD-CE2 3.95Å; M1-K105 HydrophobicContact CE-CG 4.31Å
2H93.3Very high95.7Very high63 Ų6318.7 Ų18.729%0.2929%0.091SC..EExtended strand (participates in β ladder)trans-117.2141-176.4-58.1-87000110.3K49 N68 E100 N102 Y103H2-K49 PolarHBondContact NE2-NZ 2.92Å; H2-K49 VanDerWaalsContact NE2-NZ 3.11Å; H2-N68 PolarHBondContact O-N 3.12Å; H2-E100 IonicContact CE1-OE1 3.06Å; H2-E100 IonicContact CG-OE1 2.69Å; H2-E100 IonicContact ND1-OE1 2.73Å; H2-E100 PolarHBondContact ND1-OE1 3.03Å; H2-N102 PolarHBondContact CE1-OD1 2.88Å; H2-N102 PolarHBondContact ND1-OD1 2.97Å; H2-N102 VanDerWaalsContact ND1-OD1 3.16Å; H2-Y103 WeakPolarHBondContact O-CE1 3.29Å
3C95.9Very high95.7Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-117.9121.4167.7177.20000107.4V65 F66 W67 E100 L101 Y103 L139C3-V65 WeakPolarHBondContact SG-CG1 3.28Å; C3-F66 CarbonylContact C-O 3.59Å; C3-F66 VanDerWaalsContact CA-O 3.3Å; C3-F66 WeakPolarHBondContact CA-O 3.39Å; C3-W67 HydrophobicContact CB-CD2 3.95Å; C3-W67 HydrophobicContact CB-CE3 3.89Å; C3-W67 HydrophobicContact CB-CH2 4.24Å; C3-W67 HydrophobicContact CB-CZ2 4.27Å; C3-W67 HydrophobicContact CB-CZ3 4.04Å; C3-W67 VanDerWaalsContact SG-CZ2 3.52Å; C3-E100 WeakPolarHBondContact O-CA 3.18Å; C3-L101 PolarHBondContact N-O 3.03Å; C3-L101 PolarHBondContact O-N 3.27Å; C3-Y103 HydrophobicContact CB-CD1 4.33Å; C3-L139 WeakPolarHBondContact SG-CD1 3.37Å
4T97.8Very high95.7Very high12 Ų1225.2 Ų25.27%0.07412%0.122CC..EExtended strand (participates in β ladder)trans-125.9129.1-177-45.40000110.1F6 V65 F66 E99 E100T4-F6 HydrophobicContact CG2-CD2 4.32Å; T4-F6 HydrophobicContact CG2-CE1 4.4Å; T4-F6 HydrophobicContact CG2-CE2 3.45Å; T4-F6 VanDerWaalsContact CG2-CE2 3.45Å; T4-F6 HydrophobicContact CG2-CZ 3.5Å; T4-V65 CarbonylContact O-C 3.5Å; T4-V65 WeakPolarHBondContact O-CA 3.37Å; T4-F66 PolarHBondContact N-O 3.34Å; T4-F66 PolarHBondContact O-N 3.45Å; T4-E99 CarbonylContact C-O 3.5Å; T4-E99 VanDerWaalsContact CA-O 3.27Å; T4-E99 WeakPolarHBondContact CA-O 3.34Å; T4-E100 HydrophobicContact CG2-CB 4.44Å
5A98.3Very high95.4Very high0 Ų026.9 Ų26.90%015%0.148CC..EExtended strand (participates in β ladder)trans-112.7144.7178.400000111.4A64 V65 N98 E99 L139 V143A5-A64 CarbonylContact C-O 3.58Å; A5-A64 WeakPolarHBondContact CA-O 3.44Å; A5-V65 HydrophobicContact CB-CB 4.45Å; A5-V65 HydrophobicContact CB-CG1 4.29Å; A5-V65 HydrophobicContact CB-CG2 3.81Å; A5-N98 WeakPolarHBondContact O-CA 3.3Å; A5-N98 WeakPolarHBondContact O-CB 3.48Å; A5-E99 HydrophobicContact CB-CB 4.33Å; A5-E99 PolarHBondContact N-O 3.29Å; A5-E99 PolarHBondContact O-N 3.08Å; A5-E99 VanDerWaalsContact O-N 3.08Å; A5-L139 HydrophobicContact CB-CB 3.9Å; A5-V143 HydrophobicContact CB-CG1 3.81Å; A5-V143 HydrophobicContact CB-CG2 4.4Å
6F98.4Very high95.3Very high9 Ų931 Ų314%0.03917%0.17CC..EExtended strand (participates in β ladder)trans-135.6139.9175.5-59.6-88.3000109.6T4 T8 A63 A64 F66 M74 M78 V94 H95 N98T4-F6 HydrophobicContact CG2-CD2 4.32Å; T4-F6 HydrophobicContact CG2-CE1 4.4Å; T4-F6 HydrophobicContact CG2-CE2 3.45Å; T4-F6 VanDerWaalsContact CG2-CE2 3.45Å; T4-F6 HydrophobicContact CG2-CZ 3.5Å; F6-T8 HydrophobicContact CB-CG2 4.01Å; F6-A63 CarbonylContact O-C 3.58Å; F6-A63 WeakPolarHBondContact O-CA 3.32Å; F6-A63 WeakPolarHBondContact O-CB 3.43Å; F6-A64 PolarHBondContact N-O 3.2Å; F6-A64 PolarHBondContact O-N 3.21Å; F6-F66 AromaticContact CD2-CD2 3.84Å; F6-F66 HydrophobicContact CD2-CD2 3.84Å; F6-F66 AromaticContact CD2-CE2 3.72Å; F6-F66 HydrophobicContact CD2-CE2 3.72Å; F6-F66 HydrophobicContact CE2-CD2 4.01Å; F6-F66 HydrophobicContact CE2-CE2 4.15Å; F6-M74 HydrophobicContact CE2-CE 4.33Å; F6-M74 HydrophobicContact CE2-SD 3.62Å; F6-M74 HydrophobicContact CZ-SD 3.9Å; F6-M78 HydrophobicContact CB-CE 4.39Å; F6-M78 HydrophobicContact CG-CE 4.34Å; F6-V94 HydrophobicContact CB-CG1 4.22Å; F6-V94 HydrophobicContact CD1-CG1 4.19Å; F6-H95 AromaticContact CE1-ND1 3.89Å; F6-N98 HydrophobicContact CD1-CB 3.56Å; F6-N98 HydrophobicContact CE1-CB 3.45Å; F6-N98 VanDerWaalsContact CE1-CB 3.45Å; F6-N98 HydrophobicContact CG-CB 4.46Å; F6-N98 HydrophobicContact CZ-CB 4.28Å
7A97Very high95.4Very high2 Ų229.2 Ų29.22%0.01716%0.16CC..EExtended strand (participates in β ladder)trans-101.5116.1162.600000107.7G62 Y89 V94 V143 K144 I147A7-G62 CarbonylContact C-O 3.27Å; A7-G62 WeakPolarHBondContact CA-O 3.43Å; A7-Y89 HydrophobicContact CB-CE2 4.27Å; A7-V94 WeakPolarHBondContact O-CG2 3.14Å; A7-V143 HydrophobicContact CB-CB 3.93Å; A7-V143 HydrophobicContact CB-CG2 3.82Å; A7-K144 HydrophobicContact CB-CD 3.79Å; A7-K144 HydrophobicContact CB-CG 4.28Å; A7-I147 HydrophobicContact CB-CG1 3.71Å
8T97.6Very high95.4Very high3 Ų328.6 Ų28.62%0.01816%0.158CC..  trans-112.2-18.1-173.178.50000113.4F6 Y12 G62 M78 L81 E85 Y89 V94F6-T8 HydrophobicContact CB-CG2 4.01Å; T8-Y12 WeakPolarHBondContact OG1-CE1 3.47Å; T8-Y12 PolarHBondContact OG1-OH 3.5Å; T8-G62 PolarHBondContact N-O 3.48Å; T8-M78 HydrophobicContact CG2-CE 3.51Å; T8-M78 HydrophobicContact CG2-SD 4.17Å; T8-L81 HydrophobicContact CG2-CD2 4.26Å; T8-E85 WeakPolarHBondContact CB-OE1 3.17Å; T8-E85 PolarHBondContact OG1-OE1 3.37Å; T8-Y89 PolarHBondContact O-N 3.48Å; T8-V94 HydrophobicContact CG2-CG1 3.83Å
9A95.8Very high95.3Very high0 Ų034.5 Ų34.50%019%0.185CC..EExtended strand (participates in β ladder)trans-153.9174.7179.700000112.6Y12 G62 E85 Y89 K144A9-Y12 HydrophobicContact CB-CD1 4.25Å; A9-Y12 HydrophobicContact CB-CE1 3.97Å; A9-G62 PolarHBondContact N-O 3.24Å; A9-G62 WeakPolarHBondContact O-CA 3.48Å; A9-E85 HydrophobicContact CB-CB 3.69Å; A9-E85 HydrophobicContact CB-CG 3.76Å; A9-Y89 VanDerWaalsContact C-CE2 3.41Å; A9-Y89 WeakPolarHBondContact O-CE2 3.42Å; A9-Y89 VanDerWaalsContact O-CZ 3.28Å; A9-Y89 PolarHBondContact O-OH 3.01Å; A9-K144 PolarHBondContact O-NZ 3.36Å
10D91.9Very high95.4Very high21 Ų2134.4 Ų34.411%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-66.3-43.6168.6-76.3-21.4000111.1E61 I86 Q87 Y89 K144 R192D10-E61 CarbonylContact O-C 3.53Å; D10-E61 VanDerWaalsContact O-C 3.27Å; D10-I86 PolarHBondContact N-O 2.93Å; D10-I86 VanDerWaalsContact N-O 3.16Å; D10-Q87 HydrophobicContact CB-CB 4.03Å; D10-Q87 PolarHBondContact N-O 3.11Å; D10-Q87 VanDerWaalsContact N-O 3.16Å; D10-Q87 WeakPolarHBondContact OD2-CB 3.38Å; D10-Q87 VanDerWaalsContact OD2-CD 3.23Å; D10-Q87 PolarHBondContact OD2-NE2 3.11Å; D10-Q87 PolarHBondContact OD2-OE1 3.29Å; D10-Y89 WeakPolarHBondContact CA-OH 3.34Å; D10-Y89 WeakPolarHBondContact OD1-CE1 3.24Å; D10-Y89 VanDerWaalsContact OD1-CZ 3.26Å; D10-Y89 PolarHBondContact OD1-OH 2.94Å; D10-K144 PolarHBondContact O-NZ 3.03Å; D10-R192 IonicContact OD2-CZ 3.38Å; D10-R192 IonicContact OD2-NE 2.88Å
11E93.2Very high95.4Very high78 Ų7832.8 Ų32.836%0.36418%0.175SC..EExtended strand (participates in β ladder)trans-146.8162.4178.5-74.3-177.9-123.200112.5R60 I86E11-R60 CarbonylContact C-O 3.49Å; E11-R60 WeakPolarHBondContact CA-O 3.26Å; E11-R60 WeakPolarHBondContact CB-O 3.34Å; E11-R60 IonicContact OE2-NE 2.76Å; E11-R60 IonicContact OE2-NH2 3.68Å; E11-I86 HydrophobicContact CB-CB 4.08Å; E11-I86 HydrophobicContact CB-CD1 3.94Å; E11-I86 HydrophobicContact CB-CG1 4.38Å; E11-I86 PolarHBondContact N-O 3.48Å; E11-I86 PolarHBondContact O-N 3.32Å
12Y96Very high95.4Very high4 Ų433.8 Ų33.82%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-115.8143.9169.5-60.6-27.1000112.7T8 A9 L14 F58 F59 R60 G62 A63 A64 L81 H84 E85T8-Y12 WeakPolarHBondContact OG1-CE1 3.47Å; T8-Y12 PolarHBondContact OG1-OH 3.5Å; A9-Y12 HydrophobicContact CB-CD1 4.25Å; A9-Y12 HydrophobicContact CB-CE1 3.97Å; Y12-L14 HydrophobicContact CD2-CD2 4.18Å; Y12-L14 PolarHBondContact O-N 3.04Å; Y12-L14 VanDerWaalsContact O-N 3.11Å; Y12-F58 HydrophobicContact CD2-CB 4.3Å; Y12-F58 HydrophobicContact CE2-CB 4.5Å; Y12-F58 HydrophobicContact CE2-CD1 4.35Å; Y12-F59 WeakPolarHBondContact CD2-O 3.29Å; Y12-R60 PolarHBondContact N-O 3.21Å; Y12-G62 VanDerWaalsContact CE1-CA 3.43Å; Y12-G62 VanDerWaalsContact CZ-CA 3.47Å; Y12-G62 PolarHBondContact OH-O 3.04Å; Y12-A63 WeakPolarHBondContact CE2-O 3.4Å; Y12-A63 WeakPolarHBondContact OH-CA 3.5Å; Y12-A63 PolarHBondContact OH-N 2.71Å; Y12-A64 HydrophobicContact CE2-CB 4.49Å; Y12-L81 HydrophobicContact CD1-CD1 3.95Å; Y12-L81 HydrophobicContact CD2-CD1 3.98Å; Y12-L81 HydrophobicContact CE1-CD1 3.91Å; Y12-L81 HydrophobicContact CE1-CD2 4.17Å; Y12-L81 HydrophobicContact CE1-CG 4.14Å; Y12-L81 HydrophobicContact CE2-CD1 3.9Å; Y12-L81 HydrophobicContact CE2-CD2 4.17Å; Y12-L81 HydrophobicContact CG-CD1 4.02Å; Y12-H84 WeakPolarHBondContact CA-O 3.17Å; Y12-E85 HydrophobicContact CD1-CG 4.08Å; Y12-E85 HydrophobicContact CE1-CG 3.9Å
13H96.1Very high95.5Very high103 Ų10335 Ų3548%0.47720%0.204SC..  trans-80.977.8163.8-75.3-62.3000111.6G15 N16 L17 H84 I86H13-G15 VanDerWaalsContact C-N 3.3Å; H13-G15 PolarHBondContact O-N 3.31Å; H13-N16 HydrophobicContact CB-CB 4.46Å; H13-N16 PolarHBondContact O-N 3.1Å; H13-L17 WeakPolarHBondContact O-CB 3.39Å; H13-L17 PolarHBondContact O-N 2.99Å; H13-H84 PolarHBondContact N-O 3.35Å; H13-I86 VanDerWaalsContact CE1-CD1 3.42Å; H13-I86 WeakPolarHBondContact CE1-CD1 3.48Å; H13-I86 VanDerWaalsContact NE2-CD1 3.27Å; H13-I86 WeakPolarHBondContact NE2-CD1 3.39Å; H13-I86 WeakPolarHBondContact NE2-CG1 3.37Å
14L94.6Very high95.3Very high26 Ų2639 Ų3914%0.13622%0.223CC..Hα-helixtrans-55.8-37.5-173.8-63.1-174.1000114.6Y12 L17 S18 N38 L40 F58 R60Y12-L14 HydrophobicContact CD2-CD2 4.18Å; Y12-L14 PolarHBondContact O-N 3.04Å; Y12-L14 VanDerWaalsContact O-N 3.11Å; L14-L17 HydrophobicContact CD2-CD2 4.27Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-S18 PolarHBondContact O-N 3.21Å; L14-N38 WeakPolarHBondContact CD1-O 3.45Å; L14-L40 HydrophobicContact CB-CB 4.49Å; L14-L40 HydrophobicContact CD1-CB 4.41Å; L14-L40 HydrophobicContact CD2-CB 4.17Å; L14-F58 HydrophobicContact CD2-CB 3.9Å; L14-R60 HydrophobicContact CD1-CB 3.79Å; L14-R60 HydrophobicContact CG-CB 4.2Å
15G92Very high94.9Very high50 Ų5041 Ų4152%0.51525%0.245SC..Hα-helixtrans-64.1-42-179.600000113.3H13 Q19H13-G15 VanDerWaalsContact C-N 3.3Å; H13-G15 PolarHBondContact O-N 3.31Å; G15-Q19 PolarHBondContact O-N 3.47Å
16N94.1Very high94.7Very high93 Ų9342.3 Ų42.350%0.49725%0.251SS..Hα-helixtrans-73.9-36.9176.5-66.9-6.4000110.9H13 Q19 D20 H84H13-N16 HydrophobicContact CB-CB 4.46Å; H13-N16 PolarHBondContact O-N 3.1Å; N16-Q19 PolarHBondContact O-N 3.48Å; N16-D20 PolarHBondContact O-N 3.5Å; N16-H84 WeakPolarHBondContact CB-ND1 3.13Å
17L96.5Very high94.4Very high0 Ų046.2 Ų46.20%028%0.275CS..Hα-helixtrans-61.8-44.4177.1179.564000111.9H13 L14 Q19 D20 L21 L40 F58 V80 L81 H84H13-L17 WeakPolarHBondContact O-CB 3.39Å; H13-L17 PolarHBondContact O-N 2.99Å; L14-L17 HydrophobicContact CD2-CD2 4.27Å; L14-L17 PolarHBondContact O-N 3.43Å; L17-Q19 PolarHBondContact O-N 3.37Å; L17-D20 PolarHBondContact O-N 3.47Å; L17-L21 HydrophobicContact CD1-CD1 3.76Å; L17-L21 HydrophobicContact CD1-CG 3.95Å; L17-L21 HydrophobicContact CD2-CD1 4.45Å; L17-L21 HydrophobicContact CG-CD1 3.75Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.01Å; L17-L40 HydrophobicContact CB-CD2 4.39Å; L17-L40 HydrophobicContact CD2-CD2 4.12Å; L17-L40 HydrophobicContact CG-CD2 4.07Å; L17-F58 HydrophobicContact CD2-CB 4.12Å; L17-F58 HydrophobicContact CD2-CD1 3.72Å; L17-F58 HydrophobicContact CD2-CD2 4.36Å; L17-F58 HydrophobicContact CD2-CE1 4.14Å; L17-F58 HydrophobicContact CD2-CG 3.82Å; L17-V80 HydrophobicContact CD1-CG1 4.4Å; L17-L81 HydrophobicContact CD1-CD1 3.93Å; L17-L81 HydrophobicContact CD2-CD1 3.55Å; L17-L81 HydrophobicContact CG-CD1 4.39Å; L17-H84 HydrophobicContact CB-CB 4.11Å; L17-H84 HydrophobicContact CD1-CB 4.32Å
18S94.8Very high94.1Very high19 Ų1950.3 Ų50.313%0.13329%0.294CS..Hα-helixtrans-56.5-49.5175.7163.40000111.1L14 D20 L21 A22 E28L14-S18 PolarHBondContact O-N 3.21Å; S18-D20 PolarHBondContact O-N 3.46Å; S18-L21 PolarHBondContact O-N 3.08Å; S18-A22 VanDerWaalsContact O-CB 3.29Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.98Å; S18-E28 PolarHBondContact OG-OE2 3.31Å
19Q94.6Very high93.6Very high141 Ų14151.7 Ų51.766%0.65930%0.302SS*.Hα-helixtrans-62.3-43.3-180-67.11778.200112.5G15 N16 L17 A22 S23G15-Q19 PolarHBondContact O-N 3.47Å; N16-Q19 PolarHBondContact O-N 3.48Å; L17-Q19 PolarHBondContact O-N 3.37Å; Q19-A22 PolarHBondContact O-N 3.47Å; Q19-S23 PolarHBondContact O-N 3.03Å
20D96.2Very high92.8Very high32 Ų3257.3 Ų57.317%0.17134%0.336CS..Hα-helixtrans-66.9-44.8179.7-1624.9000110.9N16 L17 S18 A22 S23 H24 V80 H84N16-D20 PolarHBondContact O-N 3.5Å; L17-D20 PolarHBondContact O-N 3.47Å; S18-D20 PolarHBondContact O-N 3.46Å; D20-A22 PolarHBondContact O-N 3.21Å; D20-S23 WeakPolarHBondContact O-CB 3.47Å; D20-S23 PolarHBondContact O-N 2.96Å; D20-S23 PolarHBondContact O-OG 3.21Å; D20-H24 PolarHBondContact O-N 3.15Å; D20-H24 PolarHBondContact O-ND1 3.04Å; D20-H24 IonicContact OD1-CE1 2.8Å; D20-H24 PolarHBondContact OD1-CE1 3.49Å; D20-H24 IonicContact OD1-ND1 3.22Å; D20-H24 PolarHBondContact OD1-ND1 3.45Å; D20-V80 HydrophobicContact CB-CG1 4.21Å; D20-H84 WeakPolarHBondContact CB-NE2 3.44Å; D20-H84 IonicContact OD2-CD2 2.69Å; D20-H84 IonicContact OD2-CE1 3.14Å; D20-H84 IonicContact OD2-NE2 3.96Å; D20-H84 PolarHBondContact OD2-NE2 3.19Å
21L95.6Very high91.9Very high1 Ų158.3 Ų58.31%0.00535%0.345CS..Hα-helixtrans-64.5-40175.8-69.7172.3000112L17 S18 S23 H24 G25 Y26 L40 M42 F58 V77 V80L17-L21 HydrophobicContact CD1-CD1 3.76Å; L17-L21 HydrophobicContact CD1-CG 3.95Å; L17-L21 HydrophobicContact CD2-CD1 4.45Å; L17-L21 HydrophobicContact CG-CD1 3.75Å; L17-L21 HydrophobicContact CG-CG 4.33Å; L17-L21 WeakPolarHBondContact O-CB 3.49Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.41Å; L17-L21 PolarHBondContact O-N 3.01Å; S18-L21 PolarHBondContact O-N 3.08Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 3.39Å; L21-H24 CarbonylContact O-C 3.59Å; L21-H24 WeakPolarHBondContact O-CA 3.28Å; L21-H24 PolarHBondContact O-N 3.03Å; L21-G25 PolarHBondContact O-N 3.09Å; L21-Y26 HydrophobicContact CB-CD2 4.06Å; L21-Y26 HydrophobicContact CB-CG 4.45Å; L21-Y26 HydrophobicContact CD2-CD2 3.75Å; L21-Y26 HydrophobicContact CD2-CE2 3.98Å; L21-Y26 HydrophobicContact CD2-CG 4.47Å; L21-Y26 WeakPolarHBondContact O-CD2 3.25Å; L21-Y26 PolarHBondContact O-N 2.97Å; L21-Y26 VanDerWaalsContact O-N 3.12Å; L21-L40 HydrophobicContact CD1-CD2 4.48Å; L21-M42 HydrophobicContact CB-CE 3.78Å; L21-M42 HydrophobicContact CD1-CG 3.92Å; L21-F58 HydrophobicContact CD1-CD2 4.42Å; L21-F58 HydrophobicContact CD1-CE1 4.48Å; L21-F58 HydrophobicContact CD1-CE2 3.58Å; L21-F58 HydrophobicContact CD1-CZ 3.59Å; L21-V77 HydrophobicContact CD2-CG1 4.44Å; L21-V77 HydrophobicContact CD2-CG2 4.49Å; L21-V80 HydrophobicContact CD2-CB 4.15Å; L21-V80 HydrophobicContact CD2-CG1 3.81Å; L21-V80 HydrophobicContact CG-CG1 4.23Å
22A94.1Very high91.2Very high53 Ų5356 Ų5644%0.43834%0.335SS..Hα-helixtrans-59.4-3917400000111.9S18 Q19 D20 H24 G25 Y26S18-A22 VanDerWaalsContact O-CB 3.29Å; S18-A22 WeakPolarHBondContact O-CB 3.49Å; S18-A22 PolarHBondContact O-N 2.98Å; Q19-A22 PolarHBondContact O-N 3.47Å; D20-A22 PolarHBondContact O-N 3.21Å; A22-H24 PolarHBondContact O-N 2.72Å; A22-G25 PolarHBondContact O-N 3.05Å; A22-Y26 WeakPolarHBondContact CA-O 3.25Å
23S94.4Very high90.5Very high87 Ų8757.5 Ų57.561%0.60835%0.345SS*.Hα-helixtrans-65.5-23.4175.682.20000113.7Q19 D20 L21 G25Q19-S23 PolarHBondContact O-N 3.03Å; D20-S23 WeakPolarHBondContact O-CB 3.47Å; D20-S23 PolarHBondContact O-N 2.96Å; D20-S23 PolarHBondContact O-OG 3.21Å; L21-S23 VanDerWaalsContact C-N 3.27Å; L21-S23 PolarHBondContact O-N 3.39Å; S23-G25 VanDerWaalsContact C-N 3.35Å
24H92.1Very high89.4Confident86 Ų8664.5 Ų64.540%0.39837%0.368SS..THydrogen-bonded Turntrans-91.67.5174.7-68.284.8000113.3D20 L21 A22 Y26 H76D20-H24 PolarHBondContact O-N 3.15Å; D20-H24 PolarHBondContact O-ND1 3.04Å; D20-H24 IonicContact OD1-CE1 2.8Å; D20-H24 PolarHBondContact OD1-CE1 3.49Å; D20-H24 IonicContact OD1-ND1 3.22Å; D20-H24 PolarHBondContact OD1-ND1 3.45Å; L21-H24 CarbonylContact O-C 3.59Å; L21-H24 WeakPolarHBondContact O-CA 3.28Å; L21-H24 PolarHBondContact O-N 3.03Å; A22-H24 PolarHBondContact O-N 2.72Å; H24-Y26 HydrophobicContact CB-CD2 4.01Å; H24-Y26 HydrophobicContact CB-CE2 3.96Å; H24-H76 AromaticContact CD2-CE1 3.61Å; H24-H76 AromaticContact CD2-NE2 3.67Å; H24-H76 AromaticContact CG-CE1 3.97Å
25G90.1Very high88.6Confident53 Ų5367.1 Ų67.155%0.54638%0.382SS..THydrogen-bonded Turntrans86.712.3175.100000115.3L21 A22 S23L21-G25 PolarHBondContact O-N 3.09Å; A22-G25 PolarHBondContact O-N 3.05Å; S23-G25 VanDerWaalsContact C-N 3.35Å
26Y93Very high87.9Confident28 Ų2865.3 Ų65.311%0.1136%0.361CS..PPolyproline II helixtrans-79.9142.6169.8-61.6-81.8000110.2L21 A22 H24 M42 V44 T73 H76 V77L21-Y26 HydrophobicContact CB-CD2 4.06Å; L21-Y26 HydrophobicContact CB-CG 4.45Å; L21-Y26 HydrophobicContact CD2-CD2 3.75Å; L21-Y26 HydrophobicContact CD2-CE2 3.98Å; L21-Y26 HydrophobicContact CD2-CG 4.47Å; L21-Y26 WeakPolarHBondContact O-CD2 3.25Å; L21-Y26 PolarHBondContact O-N 2.97Å; L21-Y26 VanDerWaalsContact O-N 3.12Å; A22-Y26 WeakPolarHBondContact CA-O 3.25Å; H24-Y26 HydrophobicContact CB-CD2 4.01Å; H24-Y26 HydrophobicContact CB-CE2 3.96Å; Y26-M42 VanDerWaalsContact CB-CE 3.5Å; Y26-M42 WeakPolarHBondContact O-CE 3.36Å; Y26-V44 HydrophobicContact CD1-CG2 4.24Å; Y26-V44 HydrophobicContact CE1-CG2 4.23Å; Y26-T73 HydrophobicContact CE1-CG2 3.84Å; Y26-T73 WeakPolarHBondContact OH-CG2 3.48Å; Y26-H76 AromaticContact CE2-ND1 3.82Å; Y26-H76 AromaticContact CZ-ND1 3.86Å; Y26-H76 PolarHBondContact OH-ND1 2.96Å; Y26-V77 HydrophobicContact CE1-CG2 3.8Å; Y26-V77 HydrophobicContact CE2-CG2 4.08Å; Y26-V77 VanDerWaalsContact CZ-CG2 3.47Å; Y26-V77 VanDerWaalsContact OH-CG2 3.28Å; Y26-V77 WeakPolarHBondContact OH-CG2 3.47Å
27V92.1Very high86.8Confident91 Ų9164 Ų6455%0.55236%0.363SS*.EExtended strand (participates in β ladder)trans-103.8124.9-177.4-178.40000109.5M42 G43V27-M42 CarbonylContact O-C 3.48Å; V27-M42 WeakPolarHBondContact O-CA 3.26Å; V27-G43 PolarHBondContact O-N 3.33Å
28E91.2Very high86.2Confident88 Ų8867.5 Ų67.541%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-71.1133.5174.4-172.4172.3160.400110.7S18 T30 L40 V41 M42S18-E28 PolarHBondContact OG-OE2 3.31Å; E28-T30 HydrophobicContact CG-CG2 4.18Å; E28-L40 HydrophobicContact CG-CD1 3.82Å; E28-V41 WeakPolarHBondContact CA-O 3.42Å; E28-M42 HydrophobicContact CB-CE 4.31Å; E28-M42 HydrophobicContact CB-SD 3.83Å; E28-M42 HydrophobicContact CG-SD 4.14Å
29V86.9Confident86.1Confident32 Ų3267.8 Ų67.819%0.19438%0.382CS..  trans-94.7102.1176.5-179.30000108S31 V41 I129V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 3.41Å; V29-V41 HydrophobicContact CB-CB 4.08Å; V29-V41 HydrophobicContact CB-CG1 3.82Å; V29-V41 HydrophobicContact CG1-CG1 4.4Å; V29-V41 HydrophobicContact CG2-CG1 4.05Å; V29-V41 PolarHBondContact N-O 3.24Å; V29-I129 HydrophobicContact CG1-CD1 3.53Å
30T79.9Confident86.1Confident117 Ų11761.4 Ų61.472%0.71835%0.353SS*.THydrogen-bonded Turntrans-91.710.8-174.161.50000113.9E28 L32E28-T30 HydrophobicContact CG-CG2 4.18Å; T30-L32 VanDerWaalsContact C-N 3.28Å; T30-L32 PolarHBondContact O-N 2.98Å
31S73.4Confident86Confident42 Ų4260 Ų6029%0.29435%0.345SS..THydrogen-bonded Turntrans-82.7-2.3-17758.70000114.4V29 D126V29-S31 VanDerWaalsContact C-N 3.34Å; V29-S31 PolarHBondContact O-N 3.41Å; S31-D126 WeakPolarHBondContact CB-OD1 3.29Å; S31-D126 PolarHBondContact OG-OD1 3.34Å
32L77.6Confident86Confident31 Ų3160 Ų6016%0.16235%0.345CS..SBendtrans-67.4136.9175.8-79.6176000111.9T30 A36 I39 V41 I129 L130T30-L32 VanDerWaalsContact C-N 3.28Å; T30-L32 PolarHBondContact O-N 2.98Å; L32-A36 HydrophobicContact CB-CB 4.42Å; L32-I39 HydrophobicContact CD1-CG2 3.65Å; L32-V41 HydrophobicContact CD1-CB 4.27Å; L32-V41 HydrophobicContact CD1-CG2 3.32Å; L32-V41 HydrophobicContact CG-CG2 4.33Å; L32-I129 HydrophobicContact CD2-CG2 4.06Å; L32-I129 HydrophobicContact CG-CG2 4.46Å; L32-L130 HydrophobicContact CD2-CD2 3.77Å
33P80.4Confident85.9Confident35 Ų3558.4 Ų58.423%0.22733%0.334CS..  trans-54.5146.1171.3-28.837.4000112.7D35 A36 L130 F205P33-D35 WeakPolarHBondContact CB-OD1 3.5Å; P33-D35 PolarHBondContact O-N 2.94Å; P33-D35 VanDerWaalsContact O-N 3.16Å; P33-A36 VanDerWaalsContact O-CB 3.31Å; P33-A36 WeakPolarHBondContact O-CB 3.44Å; P33-A36 PolarHBondContact O-N 2.98Å; P33-L130 HydrophobicContact CG-CD2 4.01Å; P33-F205 HydrophobicContact CB-CE2 4.42Å; P33-F205 HydrophobicContact CG-CE2 4.31Å
34R74.1Confident85.7Confident250 Ų25054.9 Ų54.994%0.94331%0.308SS*.THydrogen-bonded Turntrans-63.8-22.8-175.8-64.6-174.9-174.3-1752.4114.2A36R34-A36 VanDerWaalsContact C-N 3.34Å
35D77.4Confident85.1Confident81 Ų8158.8 Ų58.843%0.43333%0.327SS..THydrogen-bonded Turntrans-78.9-14.9175.155.7-31.3000112.8P33 A37 R209P33-D35 WeakPolarHBondContact CB-OD1 3.5Å; P33-D35 PolarHBondContact O-N 2.94Å; P33-D35 VanDerWaalsContact O-N 3.16Å; D35-A37 PolarHBondContact O-N 3.36Å; D35-R209 IonicContact OD1-NH2 3.09Å; D35-R209 PolarHBondContact OD1-NH2 2.88Å; D35-R209 IonicContact OD2-CZ 3.34Å; D35-R209 VanDerWaalsContact OD2-CZ 3.26Å; D35-R209 IonicContact OD2-NH1 3.35Å; D35-R209 PolarHBondContact OD2-NH1 2.88Å; D35-R209 IonicContact OD2-NH2 2.75Å; D35-R209 PolarHBondContact OD2-NH2 3.06Å
36A76.4Confident84.7Confident11 Ų1161.3 Ų61.39%0.09133%0.328CS..SBendtrans-75.366.9160.900000109.3L32 P33 R34 I39 F205L32-A36 HydrophobicContact CB-CB 4.42Å; P33-A36 VanDerWaalsContact O-CB 3.31Å; P33-A36 WeakPolarHBondContact O-CB 3.44Å; P33-A36 PolarHBondContact O-N 2.98Å; R34-A36 VanDerWaalsContact C-N 3.34Å; A36-I39 HydrophobicContact CB-CG2 4.37Å; A36-I39 WeakPolarHBondContact O-CG2 3.17Å; A36-F205 HydrophobicContact CB-CD2 3.86Å; A36-F205 HydrophobicContact CB-CE2 3.85Å
37A70.9Confident84.4Confident65 Ų6561.3 Ų61.354%0.53733%0.332SS..THydrogen-bonded Turntrans-73162.8178.200000111.2D35 I39D35-A37 PolarHBondContact O-N 3.36Å; A37-I39 VanDerWaalsContact C-N 3.26Å; A37-I39 PolarHBondContact O-N 3.18Å
38N85.8Confident84.1Confident74 Ų7459.3 Ų59.340%0.39633%0.325SS..THydrogen-bonded Turntrans62.625.4173-60.7-34.4000115.5L14 R60L14-N38 WeakPolarHBondContact CD1-O 3.45Å; N38-R60 HydrophobicContact CB-CB 3.73Å; N38-R60 WeakPolarHBondContact O-CB 3.45Å; N38-R60 PolarHBondContact O-N 3.13Å; N38-R60 WeakPolarHBondContact OD1-CD 3.44Å; N38-R60 PolarHBondContact OD1-NH1 3.17Å
39I91.7Very high84Confident26 Ų2660 Ų6013%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-130.6145173.5-165.7166.5000112.1L32 A36 A37 V41 F57 F58 F59 F133L32-I39 HydrophobicContact CD1-CG2 3.65Å; A36-I39 HydrophobicContact CB-CG2 4.37Å; A36-I39 WeakPolarHBondContact O-CG2 3.17Å; A37-I39 VanDerWaalsContact C-N 3.26Å; A37-I39 PolarHBondContact O-N 3.18Å; I39-V41 HydrophobicContact CD1-CG2 4.39Å; I39-V41 HydrophobicContact CG1-CG2 4.3Å; I39-F57 HydrophobicContact CD1-CB 4.13Å; I39-F57 HydrophobicContact CD1-CD1 3.68Å; I39-F57 HydrophobicContact CD1-CG 4.38Å; I39-F58 WeakPolarHBondContact CA-O 3.35Å; I39-F58 WeakPolarHBondContact CG1-O 3.41Å; I39-F59 HydrophobicContact CD1-CD1 4.02Å; I39-F59 HydrophobicContact CD1-CE1 3.57Å; I39-F59 HydrophobicContact CD1-CE2 4.14Å; I39-F59 HydrophobicContact CD1-CG 4.49Å; I39-F59 HydrophobicContact CD1-CZ 3.63Å; I39-F59 HydrophobicContact CG1-CD1 4.48Å; I39-F59 HydrophobicContact CG1-CE1 4.48Å; I39-F133 HydrophobicContact CB-CE2 4.49Å; I39-F133 HydrophobicContact CD1-CD2 3.44Å; I39-F133 VanDerWaalsContact CD1-CD2 3.44Å; I39-F133 HydrophobicContact CD1-CE2 3.4Å; I39-F133 HydrophobicContact CG2-CE2 4.18Å
40L94.2Very high83.9Confident7 Ų767.5 Ų67.54%0.03736%0.359CS..EExtended strand (participates in β ladder)trans-118.1132.4169.217066.8000108.7L14 L17 L21 E28 M42 F58L14-L40 HydrophobicContact CB-CB 4.49Å; L14-L40 HydrophobicContact CD1-CB 4.41Å; L14-L40 HydrophobicContact CD2-CB 4.17Å; L17-L40 HydrophobicContact CB-CD2 4.39Å; L17-L40 HydrophobicContact CD2-CD2 4.12Å; L17-L40 HydrophobicContact CG-CD2 4.07Å; L21-L40 HydrophobicContact CD1-CD2 4.48Å; E28-L40 HydrophobicContact CG-CD1 3.82Å; L40-M42 HydrophobicContact CD1-SD 3.77Å; L40-M42 HydrophobicContact CD2-CG 4.39Å; L40-M42 HydrophobicContact CD2-SD 4.29Å; L40-M42 HydrophobicContact CG-CG 4.19Å; L40-M42 HydrophobicContact CG-SD 4.04Å; L40-F58 HydrophobicContact CB-CB 4.23Å; L40-F58 HydrophobicContact CB-CD2 4.46Å; L40-F58 HydrophobicContact CD2-CD2 4.12Å; L40-F58 HydrophobicContact CG-CD2 4.19Å; L40-F58 PolarHBondContact N-O 3.32Å; L40-F58 PolarHBondContact O-N 3.37Å
41V95.2Very high84Confident2 Ų264.9 Ų64.91%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-119.4126.9177.7-176.50000110.4E28 V29 L32 I39 T55 I56 F57E28-V41 WeakPolarHBondContact CA-O 3.42Å; V29-V41 HydrophobicContact CB-CB 4.08Å; V29-V41 HydrophobicContact CB-CG1 3.82Å; V29-V41 HydrophobicContact CG1-CG1 4.4Å; V29-V41 HydrophobicContact CG2-CG1 4.05Å; V29-V41 PolarHBondContact N-O 3.24Å; L32-V41 HydrophobicContact CD1-CB 4.27Å; L32-V41 HydrophobicContact CD1-CG2 3.32Å; L32-V41 HydrophobicContact CG-CG2 4.33Å; I39-V41 HydrophobicContact CD1-CG2 4.39Å; I39-V41 HydrophobicContact CG1-CG2 4.3Å; V41-T55 HydrophobicContact CG1-CG2 3.62Å; V41-I56 CarbonylContact C-O 3.47Å; V41-I56 WeakPolarHBondContact CA-O 3.46Å; V41-F57 HydrophobicContact CB-CD1 4.49Å; V41-F57 HydrophobicContact CG1-CD1 4.31Å; V41-F57 HydrophobicContact CG1-CE1 4.13Å; V41-F57 HydrophobicContact CG1-CZ 4.47Å; V41-F57 HydrophobicContact CG2-CD1 3.4Å; V41-F57 HydrophobicContact CG2-CE1 3.63Å; V41-F57 HydrophobicContact CG2-CG 4.31Å
42M95.1Very high84.8Confident1 Ų163.4 Ų63.41%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-120.3130.9179.6-56.1-60-71.800110.6L21 Y26 V27 E28 L40 I56 F58L21-M42 HydrophobicContact CB-CE 3.78Å; L21-M42 HydrophobicContact CD1-CG 3.92Å; Y26-M42 VanDerWaalsContact CB-CE 3.5Å; Y26-M42 WeakPolarHBondContact O-CE 3.36Å; V27-M42 CarbonylContact O-C 3.48Å; V27-M42 WeakPolarHBondContact O-CA 3.26Å; E28-M42 HydrophobicContact CB-CE 4.31Å; E28-M42 HydrophobicContact CB-SD 3.83Å; E28-M42 HydrophobicContact CG-SD 4.14Å; L40-M42 HydrophobicContact CD1-SD 3.77Å; L40-M42 HydrophobicContact CD2-CG 4.39Å; L40-M42 HydrophobicContact CD2-SD 4.29Å; L40-M42 HydrophobicContact CG-CG 4.19Å; L40-M42 HydrophobicContact CG-SD 4.04Å; M42-I56 PolarHBondContact N-O 3.17Å; M42-I56 PolarHBondContact O-N 3.36Å; M42-F58 HydrophobicContact CB-CE2 4.24Å; M42-F58 HydrophobicContact CG-CD2 4.24Å; M42-F58 HydrophobicContact CG-CE2 3.73Å
43G92.8Very high85.4Confident20 Ų2065.2 Ų65.221%0.20636%0.358CS..EExtended strand (participates in β ladder)trans-80.9148.3169.800000111.8V27V27-G43 PolarHBondContact O-N 3.33Å
44V89.5Confident86.1Confident12 Ų1263.6 Ų63.67%0.07335%0.348CS..EExtended strand (participates in β ladder)trans-123121.9176.4-178.20000109.3Y26 N46 G54 I56 V69 T73Y26-V44 HydrophobicContact CD1-CG2 4.24Å; Y26-V44 HydrophobicContact CE1-CG2 4.23Å; V44-N46 PolarHBondContact O-N 3.18Å; V44-G54 PolarHBondContact N-O 3.21Å; V44-I56 HydrophobicContact CG2-CD1 3.64Å; V44-I56 HydrophobicContact CG2-CG1 3.9Å; V44-V69 HydrophobicContact CG2-CG2 4.14Å; V44-T73 HydrophobicContact CG1-CG2 3.9Å
45E78.6Confident87.1Confident169 Ų16952.2 Ų52.279%0.7931%0.306SS*.SBendtrans-64.6-38.7-179.3-63.3-174.1158.200112.8S47E45-S47 PolarHBondContact O-N 2.89Å
46N81.6Confident88.1Confident105 Ų10548.4 Ų48.456%0.56129%0.286SS*.SBendtrans-100.481.8-175.7-78.9-49.2000112.2V44V44-N46 PolarHBondContact O-N 3.18Å
47S88.1Confident89.1Confident29 Ų2947.9 Ų47.920%0.20328%0.281CS..BIsolated β-bridgetrans-70.6156.2178.671.60000113.6E45 K49 D52 N68 K70E45-S47 PolarHBondContact O-N 2.89Å; S47-K49 PolarHBondContact OG-O 2.86Å; S47-K49 VanDerWaalsContact OG-O 3.13Å; S47-D52 WeakPolarHBondContact CB-O 3.27Å; S47-D52 PolarHBondContact OG-O 3.44Å; S47-N68 CarbonylContact C-O 3.6Å; S47-N68 WeakPolarHBondContact CA-O 3.31Å; S47-N68 WeakPolarHBondContact CB-ND2 3.38Å; S47-K70 WeakPolarHBondContact O-CE 3.41Å
48A85.5Confident90.3Very high48 Ų4844.8 Ų44.840%0.39726%0.256SS..SBendtrans-73.7-38.1-17500000113.6N68 K70A48-N68 WeakPolarHBondContact CB-OD1 3.44Å; A48-N68 PolarHBondContact N-O 3.01Å; A48-N68 PolarHBondContact N-OD1 3.24Å; A48-K70 HydrophobicContact CB-CG 3.92Å
49K88.4Confident90.8Very high102 Ų10241.5 Ų41.544%0.44324%0.238SC..SBendtrans-129150.6173.9-60.7178.1176.51700109.6M1 H2 S47 N68M1-K49 HydrophobicContact CG-CB 3.86Å; M1-K49 HydrophobicContact CG-CD 4Å; M1-K49 HydrophobicContact CG-CG 4.38Å; H2-K49 PolarHBondContact NE2-NZ 2.92Å; H2-K49 VanDerWaalsContact NE2-NZ 3.11Å; S47-K49 PolarHBondContact OG-O 2.86Å; S47-K49 VanDerWaalsContact OG-O 3.13Å; K49-N68 PolarHBondContact N-OD1 2.8Å; K49-N68 PolarHBondContact O-ND2 3.43Å
50E85.3Confident90.8Very high190 Ų19045.5 Ų45.589%0.88825%0.251SS*.THydrogen-bonded Turntrans-65157.1174.4-63.7-176.5173.600111.7
51G83.1Confident90.6Very high62 Ų6247.4 Ų47.464%0.63926%0.26SS*.THydrogen-bonded Turntrans97.7-10.2175.600000116K105G51-K105 PolarHBondContact O-NZ 3.46Å
52D89.5Confident90.6Very high12 Ų1247.3 Ų47.36%0.06426%0.26CS..SBendtrans-150.2133.5172.4-161.433.5000111M1 S47 N68 Y103 K105 K132M1-D52 HydrophobicContact CE-CB 4.11Å; M1-D52 HydrophobicContact SD-CB 3.46Å; M1-D52 WeakPolarHBondContact SD-CB 3.49Å; S47-D52 WeakPolarHBondContact CB-O 3.27Å; S47-D52 PolarHBondContact OG-O 3.44Å; D52-N68 PolarHBondContact O-ND2 3.12Å; D52-Y103 WeakPolarHBondContact OD2-CE2 3.47Å; D52-Y103 PolarHBondContact OD2-OH 2.7Å; D52-K105 VanDerWaalsContact CG-CE 3.41Å; D52-K105 WeakPolarHBondContact OD1-CE 3.37Å; D52-K105 IonicContact OD1-NZ 3.56Å; D52-K105 PolarHBondContact OD1-NZ 3.25Å; D52-K132 VanDerWaalsContact CG-NZ 3.25Å; D52-K132 IonicContact OD1-NZ 2.8Å; D52-K132 PolarHBondContact OD1-NZ 3.11Å; D52-K132 VanDerWaalsContact OD2-CE 3.3Å; D52-K132 WeakPolarHBondContact OD2-CE 3.29Å; D52-K132 IonicContact OD2-NZ 3.67Å; D52-K132 PolarHBondContact OD2-NZ 2.92Å
53P90.8Very high90.6Very high69 Ų6947.3 Ų47.345%0.44826%0.26SS..  trans-64.1153.8171.426.5-35.8000111.4
54G94.1Very high90.9Very high1 Ų146.3 Ų46.31%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-75.1137.117300000110.3V44 W67V44-G54 PolarHBondContact N-O 3.21Å; G54-W67 VanDerWaalsContact CA-O 3.27Å; G54-W67 WeakPolarHBondContact CA-O 3.42Å
55T95.8Very high91.3Very high10 Ų1045.8 Ų45.86%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-137.5138.9-179.4-47.60000109.3V41 F57 W67V41-T55 HydrophobicContact CG1-CG2 3.62Å; T55-F57 HydrophobicContact CG2-CD2 4.3Å; T55-F57 HydrophobicContact CG2-CE2 3.7Å; T55-F57 HydrophobicContact CG2-CZ 3.97Å; T55-W67 PolarHBondContact N-O 2.87Å; T55-W67 WeakPolarHBondContact O-CB 3.44Å; T55-W67 PolarHBondContact O-N 3.14Å
56I97.4Very high92.2Very high1 Ų137.8 Ų37.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-125.1127.2178.1-50.1172.8000108.5V41 M42 V44 F58 V65 F66 V69 V77V41-I56 CarbonylContact C-O 3.47Å; V41-I56 WeakPolarHBondContact CA-O 3.46Å; M42-I56 PolarHBondContact N-O 3.17Å; M42-I56 PolarHBondContact O-N 3.36Å; V44-I56 HydrophobicContact CG2-CD1 3.64Å; V44-I56 HydrophobicContact CG2-CG1 3.9Å; I56-F58 HydrophobicContact CB-CE2 3.95Å; I56-F58 HydrophobicContact CB-CZ 4.26Å; I56-F58 HydrophobicContact CG2-CD1 4.49Å; I56-F58 HydrophobicContact CG2-CD2 4.06Å; I56-F58 HydrophobicContact CG2-CE1 3.97Å; I56-F58 HydrophobicContact CG2-CE2 3.47Å; I56-F58 VanDerWaalsContact CG2-CE2 3.47Å; I56-F58 HydrophobicContact CG2-CZ 3.43Å; I56-F58 VanDerWaalsContact CG2-CZ 3.43Å; I56-V65 WeakPolarHBondContact CA-O 3.48Å; I56-F66 HydrophobicContact CB-CD1 4.44Å; I56-F66 HydrophobicContact CD1-CD1 3.86Å; I56-F66 HydrophobicContact CD1-CE1 3.88Å; I56-F66 HydrophobicContact CG1-CD1 3.8Å; I56-F66 HydrophobicContact CG1-CE1 4.22Å; I56-F66 HydrophobicContact CG2-CD1 3.83Å; I56-F66 HydrophobicContact CG2-CE1 3.77Å; I56-F66 HydrophobicContact CG2-CG 4.38Å; I56-F66 HydrophobicContact CG2-CZ 4.27Å; I56-V69 HydrophobicContact CD1-CG2 4.26Å; I56-V69 HydrophobicContact CG1-CG2 3.79Å; I56-V77 HydrophobicContact CD1-CB 4.45Å; I56-V77 HydrophobicContact CD1-CG1 4.2Å; I56-V77 HydrophobicContact CD1-CG2 3.8Å
57F97.2Very high93Very high0 Ų032.8 Ų32.80%018%0.182CC..EExtended strand (participates in β ladder)trans-104.6125.9173.7-65.3-92.3000108.5I39 V41 T55 F59 A64 V65 W67 I129 K132 F133 S136I39-F57 HydrophobicContact CD1-CB 4.13Å; I39-F57 HydrophobicContact CD1-CD1 3.68Å; I39-F57 HydrophobicContact CD1-CG 4.38Å; V41-F57 HydrophobicContact CB-CD1 4.49Å; V41-F57 HydrophobicContact CG1-CD1 4.31Å; V41-F57 HydrophobicContact CG1-CE1 4.13Å; V41-F57 HydrophobicContact CG1-CZ 4.47Å; V41-F57 HydrophobicContact CG2-CD1 3.4Å; V41-F57 HydrophobicContact CG2-CE1 3.63Å; V41-F57 HydrophobicContact CG2-CG 4.31Å; T55-F57 HydrophobicContact CG2-CD2 4.3Å; T55-F57 HydrophobicContact CG2-CE2 3.7Å; T55-F57 HydrophobicContact CG2-CZ 3.97Å; F57-F59 HydrophobicContact CB-CD2 4.46Å; F57-F59 HydrophobicContact CB-CE2 3.75Å; F57-F59 HydrophobicContact CB-CZ 4.32Å; F57-A64 CarbonylContact O-C 3.6Å; F57-A64 VanDerWaalsContact O-CA 3.26Å; F57-A64 WeakPolarHBondContact O-CA 3.35Å; F57-V65 HydrophobicContact CB-CB 4.29Å; F57-V65 PolarHBondContact N-O 3.44Å; F57-V65 PolarHBondContact O-N 2.95Å; F57-W67 AromaticContact CD2-CD1 3.61Å; F57-W67 AromaticContact CD2-NE1 3.7Å; F57-W67 AromaticContact CE2-CD1 3.57Å; F57-W67 HydrophobicContact CE2-CG 4.44Å; F57-W67 AromaticContact CE2-NE1 3.63Å; F57-I129 HydrophobicContact CE1-CG2 4.27Å; F57-I129 HydrophobicContact CZ-CG2 4.29Å; F57-K132 HydrophobicContact CE2-CB 3.83Å; F57-K132 HydrophobicContact CZ-CB 3.68Å; F57-F133 HydrophobicContact CD1-CD2 4.4Å; F57-F133 HydrophobicContact CE1-CB 3.91Å; F57-F133 HydrophobicContact CE1-CD2 4.45Å; F57-F133 HydrophobicContact CZ-CB 4.49Å; F57-S136 WeakPolarHBondContact CD2-OG 3.26Å
58F97.4Very high93.4Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-113.5114172.2-57-90.4000109.1Y12 L14 L17 L21 I39 L40 M42 I56 A64 V77 L81Y12-F58 HydrophobicContact CD2-CB 4.3Å; Y12-F58 HydrophobicContact CE2-CB 4.5Å; Y12-F58 HydrophobicContact CE2-CD1 4.35Å; L14-F58 HydrophobicContact CD2-CB 3.9Å; L17-F58 HydrophobicContact CD2-CB 4.12Å; L17-F58 HydrophobicContact CD2-CD1 3.72Å; L17-F58 HydrophobicContact CD2-CD2 4.36Å; L17-F58 HydrophobicContact CD2-CE1 4.14Å; L17-F58 HydrophobicContact CD2-CG 3.82Å; L21-F58 HydrophobicContact CD1-CD2 4.42Å; L21-F58 HydrophobicContact CD1-CE1 4.48Å; L21-F58 HydrophobicContact CD1-CE2 3.58Å; L21-F58 HydrophobicContact CD1-CZ 3.59Å; I39-F58 WeakPolarHBondContact CA-O 3.35Å; I39-F58 WeakPolarHBondContact CG1-O 3.41Å; L40-F58 HydrophobicContact CB-CB 4.23Å; L40-F58 HydrophobicContact CB-CD2 4.46Å; L40-F58 HydrophobicContact CD2-CD2 4.12Å; L40-F58 HydrophobicContact CG-CD2 4.19Å; L40-F58 PolarHBondContact N-O 3.32Å; L40-F58 PolarHBondContact O-N 3.37Å; M42-F58 HydrophobicContact CB-CE2 4.24Å; M42-F58 HydrophobicContact CG-CD2 4.24Å; M42-F58 HydrophobicContact CG-CE2 3.73Å; I56-F58 HydrophobicContact CB-CE2 3.95Å; I56-F58 HydrophobicContact CB-CZ 4.26Å; I56-F58 HydrophobicContact CG2-CD1 4.49Å; I56-F58 HydrophobicContact CG2-CD2 4.06Å; I56-F58 HydrophobicContact CG2-CE1 3.97Å; I56-F58 HydrophobicContact CG2-CE2 3.47Å; I56-F58 VanDerWaalsContact CG2-CE2 3.47Å; I56-F58 HydrophobicContact CG2-CZ 3.43Å; I56-F58 VanDerWaalsContact CG2-CZ 3.43Å; F58-A64 HydrophobicContact CD1-CB 3.85Å; F58-A64 HydrophobicContact CE1-CB 4.14Å; F58-V77 HydrophobicContact CE1-CG1 3.78Å; F58-V77 HydrophobicContact CZ-CG1 3.48Å; F58-V77 VanDerWaalsContact CZ-CG1 3.48Å; F58-L81 HydrophobicContact CD1-CD1 4.05Å; F58-L81 HydrophobicContact CD1-CD2 4.39Å; F58-L81 HydrophobicContact CE1-CD1 4.19Å; F58-L81 HydrophobicContact CE1-CD2 4.25Å
59F94.9Very high93.9Very high6 Ų629.8 Ų29.83%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-87.3133.4176.2-66.1-92.5000108.6Y12 I39 F57 E61 G62 A63 V65 F133 N137 C140Y12-F59 WeakPolarHBondContact CD2-O 3.29Å; I39-F59 HydrophobicContact CD1-CD1 4.02Å; I39-F59 HydrophobicContact CD1-CE1 3.57Å; I39-F59 HydrophobicContact CD1-CE2 4.14Å; I39-F59 HydrophobicContact CD1-CG 4.49Å; I39-F59 HydrophobicContact CD1-CZ 3.63Å; I39-F59 HydrophobicContact CG1-CD1 4.48Å; I39-F59 HydrophobicContact CG1-CE1 4.48Å; F57-F59 HydrophobicContact CB-CD2 4.46Å; F57-F59 HydrophobicContact CB-CE2 3.75Å; F57-F59 HydrophobicContact CB-CZ 4.32Å; F59-E61 WeakPolarHBondContact CB-OE2 3.25Å; F59-E61 PolarHBondContact O-N 3.02Å; F59-E61 VanDerWaalsContact O-N 3.08Å; F59-G62 PolarHBondContact O-N 3.48Å; F59-A63 HydrophobicContact CB-CB 4.45Å; F59-A63 PolarHBondContact N-O 3.35Å; F59-V65 HydrophobicContact CD2-CG2 4.32Å; F59-V65 HydrophobicContact CE2-CG2 3.79Å; F59-F133 HydrophobicContact CE1-CE2 4.14Å; F59-N137 HydrophobicContact CE1-CB 4.13Å; F59-N137 HydrophobicContact CZ-CB 4.31Å; F59-C140 HydrophobicContact CD1-CB 4.26Å; F59-C140 HydrophobicContact CD2-CB 3.85Å; F59-C140 HydrophobicContact CE1-CB 4.38Å; F59-C140 HydrophobicContact CE2-CB 4.01Å; F59-C140 HydrophobicContact CG-CB 3.99Å; F59-C140 HydrophobicContact CZ-CB 4.27Å
60R92.8Very high94.2Very high109 Ų10929.1 Ų29.141%0.41116%0.155SC..THydrogen-bonded Turntrans-55.8-28.5178.4-177.2-178.5163-177.2-7.6111.5E11 Y12 L14 N38 G62E11-R60 CarbonylContact C-O 3.49Å; E11-R60 WeakPolarHBondContact CA-O 3.26Å; E11-R60 WeakPolarHBondContact CB-O 3.34Å; E11-R60 IonicContact OE2-NE 2.76Å; E11-R60 IonicContact OE2-NH2 3.68Å; Y12-R60 PolarHBondContact N-O 3.21Å; L14-R60 HydrophobicContact CD1-CB 3.79Å; L14-R60 HydrophobicContact CG-CB 4.2Å; N38-R60 HydrophobicContact CB-CB 3.73Å; N38-R60 WeakPolarHBondContact O-CB 3.45Å; N38-R60 PolarHBondContact O-N 3.13Å; N38-R60 WeakPolarHBondContact OD1-CD 3.44Å; N38-R60 PolarHBondContact OD1-NH1 3.17Å; R60-G62 PolarHBondContact O-N 2.71Å
61E90.2Very high94.7Very high48 Ų4825.6 Ų25.622%0.22414%0.142CC..THydrogen-bonded Turntrans-66.28.5176.8-60.670.5-153.600113.1D10 F59 K144 F199D10-E61 CarbonylContact O-C 3.53Å; D10-E61 VanDerWaalsContact O-C 3.27Å; F59-E61 WeakPolarHBondContact CB-OE2 3.25Å; F59-E61 PolarHBondContact O-N 3.02Å; F59-E61 VanDerWaalsContact O-N 3.08Å; E61-K144 VanDerWaalsContact O-CD 3.29Å; E61-K144 WeakPolarHBondContact O-CD 3.28Å; E61-K144 WeakPolarHBondContact O-CE 3.44Å; E61-K144 PolarHBondContact O-NZ 2.83Å; E61-F199 HydrophobicContact CG-CD2 4.37Å
62G94.4Very high95.2Very high0 Ų031.4 Ų31.40%015%0.15CC..THydrogen-bonded Turntrans83.532171.300000113.6A7 T8 A9 Y12 F59 R60A7-G62 CarbonylContact C-O 3.27Å; A7-G62 WeakPolarHBondContact CA-O 3.43Å; T8-G62 PolarHBondContact N-O 3.48Å; A9-G62 PolarHBondContact N-O 3.24Å; A9-G62 WeakPolarHBondContact O-CA 3.48Å; Y12-G62 VanDerWaalsContact CE1-CA 3.43Å; Y12-G62 VanDerWaalsContact CZ-CA 3.47Å; Y12-G62 PolarHBondContact OH-O 3.04Å; F59-G62 PolarHBondContact O-N 3.48Å; R60-G62 PolarHBondContact O-N 2.71Å
63A95.9Very high95.5Very high0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-129.1144.717500000112.7F6 Y12 F59 C140 V143 K144F6-A63 CarbonylContact O-C 3.58Å; F6-A63 WeakPolarHBondContact O-CA 3.32Å; F6-A63 WeakPolarHBondContact O-CB 3.43Å; Y12-A63 WeakPolarHBondContact CE2-O 3.4Å; Y12-A63 WeakPolarHBondContact OH-CA 3.5Å; Y12-A63 PolarHBondContact OH-N 2.71Å; F59-A63 HydrophobicContact CB-CB 4.45Å; F59-A63 PolarHBondContact N-O 3.35Å; A63-C140 HydrophobicContact CB-CB 4.19Å; A63-C140 WeakPolarHBondContact CB-SG 3.44Å; A63-V143 HydrophobicContact CB-CG2 4.1Å; A63-K144 HydrophobicContact CB-CG 4.39Å
64A98.2Very high95.7Very high0 Ų029.9 Ų29.90%014%0.138CC..EExtended strand (participates in β ladder)trans-12513417800000110.8A5 F6 Y12 F57 F58 F66 L81A5-A64 CarbonylContact C-O 3.58Å; A5-A64 WeakPolarHBondContact CA-O 3.44Å; F6-A64 PolarHBondContact N-O 3.2Å; F6-A64 PolarHBondContact O-N 3.21Å; Y12-A64 HydrophobicContact CE2-CB 4.49Å; F57-A64 CarbonylContact O-C 3.6Å; F57-A64 VanDerWaalsContact O-CA 3.26Å; F57-A64 WeakPolarHBondContact O-CA 3.35Å; F58-A64 HydrophobicContact CD1-CB 3.85Å; F58-A64 HydrophobicContact CE1-CB 4.14Å; A64-F66 HydrophobicContact CB-CE2 3.69Å; A64-F66 HydrophobicContact CB-CZ 4.05Å; A64-L81 HydrophobicContact CB-CD2 4.19Å
65V98.3Very high95.8Very high0 Ų037.2 Ų37.20%017%0.17CC..EExtended strand (participates in β ladder)trans-121.6122.6179.6-171.70000109.8C3 T4 A5 I56 F57 F59 L139C3-V65 WeakPolarHBondContact SG-CG1 3.28Å; T4-V65 CarbonylContact O-C 3.5Å; T4-V65 WeakPolarHBondContact O-CA 3.37Å; A5-V65 HydrophobicContact CB-CB 4.45Å; A5-V65 HydrophobicContact CB-CG1 4.29Å; A5-V65 HydrophobicContact CB-CG2 3.81Å; I56-V65 WeakPolarHBondContact CA-O 3.48Å; F57-V65 HydrophobicContact CB-CB 4.29Å; F57-V65 PolarHBondContact N-O 3.44Å; F57-V65 PolarHBondContact O-N 2.95Å; F59-V65 HydrophobicContact CD2-CG2 4.32Å; F59-V65 HydrophobicContact CE2-CG2 3.79Å; V65-L139 HydrophobicContact CG1-CD1 4.15Å; V65-L139 HydrophobicContact CG2-CB 4.47Å
66F98Very high95.8Very high1 Ų140.3 Ų40.30%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-109.5116.8-172.9-62-96.1000110.4C3 T4 F6 I56 A64 V69 M74 V77 M78C3-F66 CarbonylContact C-O 3.59Å; C3-F66 VanDerWaalsContact CA-O 3.3Å; C3-F66 WeakPolarHBondContact CA-O 3.39Å; T4-F66 PolarHBondContact N-O 3.34Å; T4-F66 PolarHBondContact O-N 3.45Å; F6-F66 AromaticContact CD2-CD2 3.84Å; F6-F66 HydrophobicContact CD2-CD2 3.84Å; F6-F66 AromaticContact CD2-CE2 3.72Å; F6-F66 HydrophobicContact CD2-CE2 3.72Å; F6-F66 HydrophobicContact CE2-CD2 4.01Å; F6-F66 HydrophobicContact CE2-CE2 4.15Å; I56-F66 HydrophobicContact CB-CD1 4.44Å; I56-F66 HydrophobicContact CD1-CD1 3.86Å; I56-F66 HydrophobicContact CD1-CE1 3.88Å; I56-F66 HydrophobicContact CG1-CD1 3.8Å; I56-F66 HydrophobicContact CG1-CE1 4.22Å; I56-F66 HydrophobicContact CG2-CD1 3.83Å; I56-F66 HydrophobicContact CG2-CE1 3.77Å; I56-F66 HydrophobicContact CG2-CG 4.38Å; I56-F66 HydrophobicContact CG2-CZ 4.27Å; A64-F66 HydrophobicContact CB-CE2 3.69Å; A64-F66 HydrophobicContact CB-CZ 4.05Å; F66-V69 HydrophobicContact CB-CB 4.25Å; F66-V69 HydrophobicContact CB-CG2 4.18Å; F66-V69 HydrophobicContact CD1-CB 4.3Å; F66-V69 HydrophobicContact CD1-CG1 4.3Å; F66-V69 HydrophobicContact CD1-CG2 4.26Å; F66-M74 HydrophobicContact CB-CE 3.81Å; F66-M74 HydrophobicContact CD1-CB 4.34Å; F66-M74 HydrophobicContact CD1-CE 4.5Å; F66-M74 HydrophobicContact CD1-CG 3.92Å; F66-M74 HydrophobicContact CD2-CE 4.36Å; F66-M74 HydrophobicContact CD2-CG 4.25Å; F66-M74 HydrophobicContact CE1-CB 4.41Å; F66-M74 HydrophobicContact CE1-CG 3.89Å; F66-M74 HydrophobicContact CE2-CG 4.23Å; F66-M74 HydrophobicContact CG-CE 3.99Å; F66-M74 HydrophobicContact CG-CG 4.1Å; F66-M74 HydrophobicContact CZ-CG 4.06Å; F66-V77 HydrophobicContact CE1-CB 4.06Å; F66-V77 HydrophobicContact CE1-CG1 3.77Å; F66-V77 HydrophobicContact CZ-CG1 4.07Å; F66-M78 HydrophobicContact CE2-SD 3.99Å; F66-M78 HydrophobicContact CZ-CG 4.19Å; F66-M78 HydrophobicContact CZ-SD 3.83Å
67W97.7Very high95.8Very high0 Ų040.3 Ų40.30%018%0.183CC..EExtended strand (participates in β ladder)trans-104120.4175.2-67.876.6000110.2C3 G54 T55 F57 V69 Y103 I117 L119 K132 F135 S136C3-W67 HydrophobicContact CB-CD2 3.95Å; C3-W67 HydrophobicContact CB-CE3 3.89Å; C3-W67 HydrophobicContact CB-CH2 4.24Å; C3-W67 HydrophobicContact CB-CZ2 4.27Å; C3-W67 HydrophobicContact CB-CZ3 4.04Å; C3-W67 VanDerWaalsContact SG-CZ2 3.52Å; G54-W67 VanDerWaalsContact CA-O 3.27Å; G54-W67 WeakPolarHBondContact CA-O 3.42Å; T55-W67 PolarHBondContact N-O 2.87Å; T55-W67 WeakPolarHBondContact O-CB 3.44Å; T55-W67 PolarHBondContact O-N 3.14Å; F57-W67 AromaticContact CD2-CD1 3.61Å; F57-W67 AromaticContact CD2-NE1 3.7Å; F57-W67 AromaticContact CE2-CD1 3.57Å; F57-W67 HydrophobicContact CE2-CG 4.44Å; F57-W67 AromaticContact CE2-NE1 3.63Å; W67-V69 WeakPolarHBondContact O-CG2 3.32Å; W67-V69 PolarHBondContact O-N 3.01Å; W67-V69 VanDerWaalsContact O-N 3.13Å; W67-Y103 AromaticContact CE3-CD1 3.82Å; W67-Y103 HydrophobicContact CE3-CD1 3.82Å; W67-Y103 HydrophobicContact CE3-CD2 4.39Å; W67-Y103 AromaticContact CE3-CE1 3.64Å; W67-Y103 HydrophobicContact CE3-CE1 3.64Å; W67-Y103 HydrophobicContact CE3-CE2 4.23Å; W67-Y103 HydrophobicContact CE3-CG 4.17Å; W67-Y103 AromaticContact CE3-CZ 3.84Å; W67-Y103 AromaticContact CZ3-CD1 3.89Å; W67-Y103 HydrophobicContact CZ3-CD1 3.89Å; W67-Y103 HydrophobicContact CZ3-CD2 4.16Å; W67-Y103 HydrophobicContact CZ3-CE1 4.17Å; W67-Y103 HydrophobicContact CZ3-CE2 4.42Å; W67-Y103 AromaticContact CZ3-CG 3.86Å; W67-Y103 HydrophobicContact CZ3-CG 3.86Å; W67-I117 HydrophobicContact CH2-CD1 3.72Å; W67-I117 HydrophobicContact CH2-CG2 4.26Å; W67-I117 HydrophobicContact CZ3-CD1 4.34Å; W67-I117 HydrophobicContact CZ3-CG2 4.45Å; W67-L119 HydrophobicContact CE3-CD1 4.39Å; W67-L119 HydrophobicContact CZ3-CD1 3.86Å; W67-K132 HydrophobicContact CD2-CB 4.46Å; W67-K132 HydrophobicContact CD2-CD 4.2Å; W67-K132 HydrophobicContact CD2-CG 4.07Å; W67-K132 HydrophobicContact CE3-CD 4.33Å; W67-K132 HydrophobicContact CE3-CG 4.09Å; W67-K132 HydrophobicContact CG-CD 4.38Å; W67-K132 HydrophobicContact CH2-CG 4.26Å; W67-K132 HydrophobicContact CZ2-CB 4.18Å; W67-K132 HydrophobicContact CZ2-CG 4.26Å; W67-K132 HydrophobicContact CZ3-CG 4.19Å; W67-F135 HydrophobicContact CH2-CB 3.87Å; W67-F135 HydrophobicContact CH2-CD2 4.23Å; W67-F135 HydrophobicContact CH2-CG 4.28Å; W67-F135 HydrophobicContact CZ2-CB 3.73Å; W67-S136 PolarHBondContact NE1-OG 3.48Å
68N96.4Very high95.7Very high3 Ų341.6 Ų41.62%0.01619%0.19CC..SBendtrans51.437175.9-157.326.1000114.4H2 S47 A48 K49 D52 Y103H2-N68 PolarHBondContact O-N 3.12Å; S47-N68 CarbonylContact C-O 3.6Å; S47-N68 WeakPolarHBondContact CA-O 3.31Å; S47-N68 WeakPolarHBondContact CB-ND2 3.38Å; A48-N68 WeakPolarHBondContact CB-OD1 3.44Å; A48-N68 PolarHBondContact N-O 3.01Å; A48-N68 PolarHBondContact N-OD1 3.24Å; K49-N68 PolarHBondContact N-OD1 2.8Å; K49-N68 PolarHBondContact O-ND2 3.43Å; D52-N68 PolarHBondContact O-ND2 3.12Å; N68-Y103 VanDerWaalsContact CB-OH 3.31Å; N68-Y103 WeakPolarHBondContact CB-OH 3.2Å
69V96.4Very high95.7Very high11 Ų1148.4 Ų48.47%0.06722%0.219CC..BIsolated β-bridgetrans-97.9134.7178.4-177.70000109.5V44 I56 F66 W67 T73 M74V44-V69 HydrophobicContact CG2-CG2 4.14Å; I56-V69 HydrophobicContact CD1-CG2 4.26Å; I56-V69 HydrophobicContact CG1-CG2 3.79Å; F66-V69 HydrophobicContact CB-CB 4.25Å; F66-V69 HydrophobicContact CB-CG2 4.18Å; F66-V69 HydrophobicContact CD1-CB 4.3Å; F66-V69 HydrophobicContact CD1-CG1 4.3Å; F66-V69 HydrophobicContact CD1-CG2 4.26Å; W67-V69 WeakPolarHBondContact O-CG2 3.32Å; W67-V69 PolarHBondContact O-N 3.01Å; W67-V69 VanDerWaalsContact O-N 3.13Å; V69-T73 HydrophobicContact CG1-CG2 3.88Å; V69-M74 HydrophobicContact CG1-CB 4.29Å
70K95.4Very high95.8Very high88 Ų8848.4 Ų48.438%0.38322%0.22SC..  trans-66.9145.5175.6-65.7-179.3-170179.40110.7S47 A48 K72 T73 M74S47-K70 WeakPolarHBondContact O-CE 3.41Å; A48-K70 HydrophobicContact CB-CG 3.92Å; K70-K72 PolarHBondContact O-N 3.02Å; K70-K72 VanDerWaalsContact O-N 3.1Å; K70-T73 WeakPolarHBondContact O-CA 3.48Å; K70-T73 WeakPolarHBondContact O-CB 3.45Å; K70-T73 PolarHBondContact O-N 3.44Å; K70-M74 PolarHBondContact O-N 3.35Å
71D93.9Very high96Very high116 Ų11643.2 Ų43.262%0.6220%0.2SC*.Hα-helixtrans-53-38.2178.6-58.2-12.2000113.8T73 M74 K75D71-T73 VanDerWaalsContact C-N 3.34Å; D71-T73 PolarHBondContact O-N 2.86Å; D71-M74 PolarHBondContact O-N 3.45Å; D71-K75 WeakPolarHBondContact O-CB 3.36Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 2.94Å
72K94.8Very high96.3Very high184 Ų18446 Ų4680%0.821%0.213SC*.Hα-helixtrans-61.7-43.4176.8-69.7-173.3179.3-177.90111.6K70 H76K70-K72 PolarHBondContact O-N 3.02Å; K70-K72 VanDerWaalsContact O-N 3.1Å; K72-H76 PolarHBondContact O-N 3.27Å; K72-H76 VanDerWaalsContact O-N 3.13Å
73T95.5Very high96.4Very high25 Ų2553.1 Ų53.115%0.15324%0.244CC..Hα-helixtrans-70.8-42.7178.3-50.70000110.7Y26 V44 V69 K70 D71 K75 H76 V77Y26-T73 HydrophobicContact CE1-CG2 3.84Å; Y26-T73 WeakPolarHBondContact OH-CG2 3.48Å; V44-T73 HydrophobicContact CG1-CG2 3.9Å; V69-T73 HydrophobicContact CG1-CG2 3.88Å; K70-T73 WeakPolarHBondContact O-CA 3.48Å; K70-T73 WeakPolarHBondContact O-CB 3.45Å; K70-T73 PolarHBondContact O-N 3.44Å; D71-T73 VanDerWaalsContact C-N 3.34Å; D71-T73 PolarHBondContact O-N 2.86Å; T73-K75 PolarHBondContact O-N 3.46Å; T73-H76 WeakPolarHBondContact O-CB 3.47Å; T73-H76 PolarHBondContact O-N 3.22Å; T73-V77 HydrophobicContact CG2-CG2 4.45Å; T73-V77 WeakPolarHBondContact O-CG2 3.49Å; T73-V77 PolarHBondContact O-N 2.96Å
74M95.8Very high96.5Very high24 Ų2454 Ų5412%0.11825%0.248CC..Hα-helixtrans-57.4-49.3175.6-175.3-171.3-68.600110.9F6 F66 V69 K70 D71 H76 V77 M78F6-M74 HydrophobicContact CE2-CE 4.33Å; F6-M74 HydrophobicContact CE2-SD 3.62Å; F6-M74 HydrophobicContact CZ-SD 3.9Å; F66-M74 HydrophobicContact CB-CE 3.81Å; F66-M74 HydrophobicContact CD1-CB 4.34Å; F66-M74 HydrophobicContact CD1-CE 4.5Å; F66-M74 HydrophobicContact CD1-CG 3.92Å; F66-M74 HydrophobicContact CD2-CE 4.36Å; F66-M74 HydrophobicContact CD2-CG 4.25Å; F66-M74 HydrophobicContact CE1-CB 4.41Å; F66-M74 HydrophobicContact CE1-CG 3.89Å; F66-M74 HydrophobicContact CE2-CG 4.23Å; F66-M74 HydrophobicContact CG-CE 3.99Å; F66-M74 HydrophobicContact CG-CG 4.1Å; F66-M74 HydrophobicContact CZ-CG 4.06Å; V69-M74 HydrophobicContact CG1-CB 4.29Å; K70-M74 PolarHBondContact O-N 3.35Å; D71-M74 PolarHBondContact O-N 3.45Å; M74-H76 VanDerWaalsContact C-N 3.31Å; M74-H76 PolarHBondContact O-N 3.38Å; M74-V77 PolarHBondContact O-N 3.17Å; M74-M78 HydrophobicContact CG-CG 4.43Å; M74-M78 WeakPolarHBondContact O-CG 3.48Å; M74-M78 PolarHBondContact O-N 3.14Å
75K95.4Very high96.5Very high156 Ų15655.8 Ų55.868%0.67826%0.256SS*.Hα-helixtrans-59.7-39176.2-72.9177-176.5-175.80113.1D71 T73 K79D71-K75 WeakPolarHBondContact O-CB 3.36Å; D71-K75 VanDerWaalsContact O-CG 3.28Å; D71-K75 WeakPolarHBondContact O-CG 3.4Å; D71-K75 PolarHBondContact O-N 2.94Å; T73-K75 PolarHBondContact O-N 3.46Å; K75-K79 WeakPolarHBondContact O-CB 3.33Å; K75-K79 PolarHBondContact O-N 2.67Å; K75-K79 VanDerWaalsContact O-N 3.12Å
76H96.1Very high96.3Very high75 Ų7558 Ų5835%0.34727%0.268SS..Hα-helixtrans-64.2-48175.6178-100.2000111.4H24 Y26 K72 T73 M74 M78 K79 V80H24-H76 AromaticContact CD2-CE1 3.61Å; H24-H76 AromaticContact CD2-NE2 3.67Å; H24-H76 AromaticContact CG-CE1 3.97Å; Y26-H76 AromaticContact CE2-ND1 3.82Å; Y26-H76 AromaticContact CZ-ND1 3.86Å; Y26-H76 PolarHBondContact OH-ND1 2.96Å; K72-H76 PolarHBondContact O-N 3.27Å; K72-H76 VanDerWaalsContact O-N 3.13Å; T73-H76 WeakPolarHBondContact O-CB 3.47Å; T73-H76 PolarHBondContact O-N 3.22Å; M74-H76 VanDerWaalsContact C-N 3.31Å; M74-H76 PolarHBondContact O-N 3.38Å; H76-M78 PolarHBondContact O-N 3.36Å; H76-K79 WeakPolarHBondContact O-CB 3.23Å; H76-K79 PolarHBondContact O-N 3.29Å; H76-V80 PolarHBondContact O-N 3.38Å
77V96.8Very high96.1Very high0 Ų062.5 Ų62.50%029%0.289CS..Hα-helixtrans-61.4-44.6178.1170.20000111.4L21 Y26 I56 F58 F66 T73 M74 K79 V80 L81L21-V77 HydrophobicContact CD2-CG1 4.44Å; L21-V77 HydrophobicContact CD2-CG2 4.49Å; Y26-V77 HydrophobicContact CE1-CG2 3.8Å; Y26-V77 HydrophobicContact CE2-CG2 4.08Å; Y26-V77 VanDerWaalsContact CZ-CG2 3.47Å; Y26-V77 VanDerWaalsContact OH-CG2 3.28Å; Y26-V77 WeakPolarHBondContact OH-CG2 3.47Å; I56-V77 HydrophobicContact CD1-CB 4.45Å; I56-V77 HydrophobicContact CD1-CG1 4.2Å; I56-V77 HydrophobicContact CD1-CG2 3.8Å; F58-V77 HydrophobicContact CE1-CG1 3.78Å; F58-V77 HydrophobicContact CZ-CG1 3.48Å; F58-V77 VanDerWaalsContact CZ-CG1 3.48Å; F66-V77 HydrophobicContact CE1-CB 4.06Å; F66-V77 HydrophobicContact CE1-CG1 3.77Å; F66-V77 HydrophobicContact CZ-CG1 4.07Å; T73-V77 HydrophobicContact CG2-CG2 4.45Å; T73-V77 WeakPolarHBondContact O-CG2 3.49Å; T73-V77 PolarHBondContact O-N 2.96Å; M74-V77 PolarHBondContact O-N 3.17Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.16Å; V77-V80 PolarHBondContact O-N 2.88Å; V77-V80 VanDerWaalsContact O-N 3.09Å; V77-L81 WeakPolarHBondContact O-CB 3.49Å; V77-L81 PolarHBondContact O-N 2.94Å
78M96.6Very high96Very high27 Ų2766.5 Ų66.513%0.13332%0.315CS..Hα-helixtrans-58.5-41.3176.5-67.5-71.1-73.600111.2F6 T8 F66 M74 H76 V80 L81 E82 V94F6-M78 HydrophobicContact CB-CE 4.39Å; F6-M78 HydrophobicContact CG-CE 4.34Å; T8-M78 HydrophobicContact CG2-CE 3.51Å; T8-M78 HydrophobicContact CG2-SD 4.17Å; F66-M78 HydrophobicContact CE2-SD 3.99Å; F66-M78 HydrophobicContact CZ-CG 4.19Å; F66-M78 HydrophobicContact CZ-SD 3.83Å; M74-M78 HydrophobicContact CG-CG 4.43Å; M74-M78 WeakPolarHBondContact O-CG 3.48Å; M74-M78 PolarHBondContact O-N 3.14Å; H76-M78 PolarHBondContact O-N 3.36Å; M78-V80 VanDerWaalsContact C-N 3.33Å; M78-V80 PolarHBondContact O-N 3.23Å; M78-L81 WeakPolarHBondContact O-CB 3.3Å; M78-L81 PolarHBondContact O-N 3.46Å; M78-L81 HydrophobicContact SD-CD2 4.26Å; M78-E82 WeakPolarHBondContact O-CG 3.37Å; M78-E82 PolarHBondContact O-N 3.25Å; M78-V94 HydrophobicContact CE-CG1 4.3Å
79K96.6Very high96Very high144 Ų14468 Ų6863%0.62632%0.321SS*.Hα-helixtrans-66-32.6175.9-173176.5-177.91800113.6K75 H76 V77K75-K79 WeakPolarHBondContact O-CB 3.33Å; K75-K79 PolarHBondContact O-N 2.67Å; K75-K79 VanDerWaalsContact O-N 3.12Å; H76-K79 WeakPolarHBondContact O-CB 3.23Å; H76-K79 PolarHBondContact O-N 3.29Å; V77-K79 VanDerWaalsContact C-N 3.28Å; V77-K79 PolarHBondContact O-N 3.16Å
80V96.9Very high95.9Very high5 Ų573.6 Ų73.63%0.0335%0.346CS..Hα-helixtrans-69.8-46172.2175.50000109.4L17 D20 L21 H76 V77 M78 E82 K83 H84L17-V80 HydrophobicContact CD1-CG1 4.4Å; D20-V80 HydrophobicContact CB-CG1 4.21Å; L21-V80 HydrophobicContact CD2-CB 4.15Å; L21-V80 HydrophobicContact CD2-CG1 3.81Å; L21-V80 HydrophobicContact CG-CG1 4.23Å; H76-V80 PolarHBondContact O-N 3.38Å; V77-V80 PolarHBondContact O-N 2.88Å; V77-V80 VanDerWaalsContact O-N 3.09Å; M78-V80 VanDerWaalsContact C-N 3.33Å; M78-V80 PolarHBondContact O-N 3.23Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 2.82Å; V80-K83 PolarHBondContact O-N 2.96Å; V80-H84 PolarHBondContact O-CD2 3.4Å; V80-H84 VanDerWaalsContact O-CD2 3.23Å
81L97Very high95.9Very high0 Ų074.8 Ų74.80%036%0.355CS..Hα-helixtrans-56.8-39.8-178.5-177.262.5000112.9T8 Y12 L17 F58 A64 V77 M78 K83 H84 E85T8-L81 HydrophobicContact CG2-CD2 4.26Å; Y12-L81 HydrophobicContact CD1-CD1 3.95Å; Y12-L81 HydrophobicContact CD2-CD1 3.98Å; Y12-L81 HydrophobicContact CE1-CD1 3.91Å; Y12-L81 HydrophobicContact CE1-CD2 4.17Å; Y12-L81 HydrophobicContact CE1-CG 4.14Å; Y12-L81 HydrophobicContact CE2-CD1 3.9Å; Y12-L81 HydrophobicContact CE2-CD2 4.17Å; Y12-L81 HydrophobicContact CG-CD1 4.02Å; L17-L81 HydrophobicContact CD1-CD1 3.93Å; L17-L81 HydrophobicContact CD2-CD1 3.55Å; L17-L81 HydrophobicContact CG-CD1 4.39Å; F58-L81 HydrophobicContact CD1-CD1 4.05Å; F58-L81 HydrophobicContact CD1-CD2 4.39Å; F58-L81 HydrophobicContact CE1-CD1 4.19Å; F58-L81 HydrophobicContact CE1-CD2 4.25Å; A64-L81 HydrophobicContact CB-CD2 4.19Å; V77-L81 WeakPolarHBondContact O-CB 3.49Å; V77-L81 PolarHBondContact O-N 2.94Å; M78-L81 WeakPolarHBondContact O-CB 3.3Å; M78-L81 PolarHBondContact O-N 3.46Å; M78-L81 HydrophobicContact SD-CD2 4.26Å; L81-K83 PolarHBondContact O-N 3.33Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 PolarHBondContact O-N 2.82Å; L81-E85 HydrophobicContact CG-CG 4.38Å; L81-E85 PolarHBondContact O-N 2.89Å
82E96.2Very high95.9Very high108 Ų10872.3 Ų72.351%0.50535%0.351SS..G310 helixtrans-46.4-33.1177.1-78170.7-165.300114M78 V80 H84M78-E82 WeakPolarHBondContact O-CG 3.37Å; M78-E82 PolarHBondContact O-N 3.25Å; V80-E82 VanDerWaalsContact C-N 3.31Å; V80-E82 PolarHBondContact O-N 2.82Å; E82-H84 VanDerWaalsContact C-N 3.29Å; E82-H84 PolarHBondContact O-N 3.37Å
83K97Very high95.9Very high148 Ų14865.6 Ų65.664%0.64332%0.323SS*.G310 helixtrans-77.1-15.8-179.5-59.2177.3-169.3164.90113.9V80 L81V80-K83 PolarHBondContact O-N 2.96Å; L81-K83 PolarHBondContact O-N 3.33Å
84H97.6Very high96Very high19 Ų1964.8 Ų64.89%0.08832%0.318CS..G310 helixtrans-114.16.3-172.9-54.9-78.1000112.2Y12 H13 N16 L17 D20 V80 L81 E82Y12-H84 WeakPolarHBondContact CA-O 3.17Å; H13-H84 PolarHBondContact N-O 3.35Å; N16-H84 WeakPolarHBondContact CB-ND1 3.13Å; L17-H84 HydrophobicContact CB-CB 4.11Å; L17-H84 HydrophobicContact CD1-CB 4.32Å; D20-H84 WeakPolarHBondContact CB-NE2 3.44Å; D20-H84 IonicContact OD2-CD2 2.69Å; D20-H84 IonicContact OD2-CE1 3.14Å; D20-H84 IonicContact OD2-NE2 3.96Å; D20-H84 PolarHBondContact OD2-NE2 3.19Å; V80-H84 PolarHBondContact O-CD2 3.4Å; V80-H84 VanDerWaalsContact O-CD2 3.23Å; L81-H84 WeakPolarHBondContact O-CA 3.46Å; L81-H84 PolarHBondContact O-N 2.82Å; E82-H84 VanDerWaalsContact C-N 3.29Å; E82-H84 PolarHBondContact O-N 3.37Å
85E97.4Very high95.9Very high37 Ų3768.7 Ų68.717%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-79.7134.4177.2-73.4173174.700111.9T8 A9 Y12 L81 P88T8-E85 WeakPolarHBondContact CB-OE1 3.17Å; T8-E85 PolarHBondContact OG1-OE1 3.37Å; A9-E85 HydrophobicContact CB-CB 3.69Å; A9-E85 HydrophobicContact CB-CG 3.76Å; Y12-E85 HydrophobicContact CD1-CG 4.08Å; Y12-E85 HydrophobicContact CE1-CG 3.9Å; L81-E85 HydrophobicContact CG-CG 4.38Å; L81-E85 PolarHBondContact O-N 2.89Å; E85-P88 HydrophobicContact CB-CB 4.06Å; E85-P88 VanDerWaalsContact OE2-CB 3.28Å; E85-P88 WeakPolarHBondContact OE2-CB 3.39Å
86I95Very high95.9Very high46 Ų4671.1 Ų71.124%0.23634%0.341CS..EExtended strand (participates in β ladder)trans-106.9119.1172.3-52.2175.8000107.6D10 E11 H13D10-I86 PolarHBondContact N-O 2.93Å; D10-I86 VanDerWaalsContact N-O 3.16Å; E11-I86 HydrophobicContact CB-CB 4.08Å; E11-I86 HydrophobicContact CB-CD1 3.94Å; E11-I86 HydrophobicContact CB-CG1 4.38Å; E11-I86 PolarHBondContact N-O 3.48Å; E11-I86 PolarHBondContact O-N 3.32Å; H13-I86 VanDerWaalsContact CE1-CD1 3.42Å; H13-I86 WeakPolarHBondContact CE1-CD1 3.48Å; H13-I86 VanDerWaalsContact NE2-CD1 3.27Å; H13-I86 WeakPolarHBondContact NE2-CD1 3.39Å; H13-I86 WeakPolarHBondContact NE2-CG1 3.37Å
87Q93.7Very high95.9Very high96 Ų9670 Ų7045%0.44934%0.336SS..EExtended strand (participates in β ladder)trans53.569.3-171.8-60.8177.489.300111.4D10D10-Q87 HydrophobicContact CB-CB 4.03Å; D10-Q87 PolarHBondContact N-O 3.11Å; D10-Q87 VanDerWaalsContact N-O 3.16Å; D10-Q87 WeakPolarHBondContact OD2-CB 3.38Å; D10-Q87 VanDerWaalsContact OD2-CD 3.23Å; D10-Q87 PolarHBondContact OD2-NE2 3.11Å; D10-Q87 PolarHBondContact OD2-OE1 3.29Å
88P96.4Very high95.9Very high84 Ų8472.6 Ų72.655%0.54535%0.35SS..EExtended strand (participates in β ladder)trans-64.1149-17929.2-36.8000111.9E85E85-P88 HydrophobicContact CB-CB 4.06Å; E85-P88 VanDerWaalsContact OE2-CB 3.28Å; E85-P88 WeakPolarHBondContact OE2-CB 3.39Å
89Y95.6Very high95.9Very high35 Ų3573.6 Ų73.614%0.13736%0.355CS..PPolyproline II helixtrans-87.9163.7175.9-58.5-33.4000111.8A7 T8 A9 D10 I91 K144 I147A7-Y89 HydrophobicContact CB-CE2 4.27Å; T8-Y89 PolarHBondContact O-N 3.48Å; A9-Y89 VanDerWaalsContact C-CE2 3.41Å; A9-Y89 WeakPolarHBondContact O-CE2 3.42Å; A9-Y89 VanDerWaalsContact O-CZ 3.28Å; A9-Y89 PolarHBondContact O-OH 3.01Å; D10-Y89 WeakPolarHBondContact CA-OH 3.34Å; D10-Y89 WeakPolarHBondContact OD1-CE1 3.24Å; D10-Y89 VanDerWaalsContact OD1-CZ 3.26Å; D10-Y89 PolarHBondContact OD1-OH 2.94Å; Y89-I91 PolarHBondContact O-N 3.02Å; Y89-K144 PolarHBondContact OH-NZ 3.21Å; Y89-I147 HydrophobicContact CD1-CG2 4.2Å; Y89-I147 HydrophobicContact CD2-CB 4.41Å; Y89-I147 HydrophobicContact CD2-CD1 4.24Å; Y89-I147 HydrophobicContact CD2-CG1 3.95Å; Y89-I147 HydrophobicContact CD2-CG2 3.78Å; Y89-I147 HydrophobicContact CE1-CG2 4.09Å; Y89-I147 HydrophobicContact CE2-CB 4.17Å; Y89-I147 HydrophobicContact CE2-CG1 4.01Å; Y89-I147 HydrophobicContact CE2-CG2 3.65Å; Y89-I147 HydrophobicContact CG-CG2 4.06Å
90E94.9Very high95.9Very high129 Ų12971.7 Ų71.760%0.60335%0.348SS*.PPolyproline II helixtrans-67.1126.1177.1-174.1180164.800110.6A92 L93 V94E90-A92 HydrophobicContact CG-CB 4.44Å; E90-A92 PolarHBondContact O-N 3.09Å; E90-A92 VanDerWaalsContact O-N 3.1Å; E90-L93 HydrophobicContact CB-CB 4.26Å; E90-L93 WeakPolarHBondContact O-CA 3.35Å; E90-L93 WeakPolarHBondContact O-CB 3.48Å; E90-L93 PolarHBondContact O-N 3.06Å; E90-V94 WeakPolarHBondContact O-CG2 3.39Å; E90-V94 PolarHBondContact O-N 3.42Å
91I94.2Very high95.9Very high113 Ų11372 Ų7258%0.57935%0.349SS*.Hα-helixtrans-51.2-40.8-176-63.3169.4000112.5Y89 L93 V94 H95Y89-I91 PolarHBondContact O-N 3.02Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 2.82Å; I91-V94 PolarHBondContact O-N 3.49Å; I91-H95 PolarHBondContact O-CD2 3.3Å; I91-H95 PolarHBondContact O-N 2.68Å; I91-H95 VanDerWaalsContact O-N 3.1Å
92A94.9Very high95.8Very high63 Ų6375.7 Ų75.752%0.52137%0.369SS..Hα-helixtrans-62.9-41.6178.400000111.9E90 W96E90-A92 HydrophobicContact CG-CB 4.44Å; E90-A92 PolarHBondContact O-N 3.09Å; E90-A92 VanDerWaalsContact O-N 3.1Å; A92-W96 VanDerWaalsContact O-CB 3.25Å; A92-W96 WeakPolarHBondContact O-CB 3.42Å; A92-W96 PolarHBondContact O-N 3.38Å
93L94.9Very high95.8Very high43 Ų4370.6 Ų70.623%0.22535%0.345CS..Hα-helixtrans-67.8-43.5177-176.467000111.2E90 I91 H95 W96 E97 I147 A150E90-L93 HydrophobicContact CB-CB 4.26Å; E90-L93 WeakPolarHBondContact O-CA 3.35Å; E90-L93 WeakPolarHBondContact O-CB 3.48Å; E90-L93 PolarHBondContact O-N 3.06Å; I91-L93 VanDerWaalsContact C-N 3.34Å; I91-L93 PolarHBondContact O-N 2.82Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.02Å; L93-W96 PolarHBondContact O-N 2.96Å; L93-W96 VanDerWaalsContact O-N 3.15Å; L93-E97 HydrophobicContact CD1-CG 3.69Å; L93-E97 HydrophobicContact CG-CG 4.29Å; L93-E97 WeakPolarHBondContact O-CB 3.11Å; L93-E97 PolarHBondContact O-N 3.04Å; L93-I147 HydrophobicContact CD2-CD1 3.86Å; L93-I147 HydrophobicContact CD2-CG2 4.21Å; L93-I147 HydrophobicContact CG-CD1 3.67Å; L93-A150 HydrophobicContact CD1-CB 3.74Å
94V96.1Very high95.8Very high8 Ų866.3 Ų66.35%0.04833%0.329CS..Hα-helixtrans-55.8-44177.4174.30000111.8F6 A7 T8 M78 E90 I91F6-V94 HydrophobicContact CB-CG1 4.22Å; F6-V94 HydrophobicContact CD1-CG1 4.19Å; A7-V94 WeakPolarHBondContact O-CG2 3.14Å; T8-V94 HydrophobicContact CG2-CG1 3.83Å; M78-V94 HydrophobicContact CE-CG1 4.3Å; E90-V94 WeakPolarHBondContact O-CG2 3.39Å; E90-V94 PolarHBondContact O-N 3.42Å; I91-V94 PolarHBondContact O-N 3.49Å
95H94.6Very high95.6Very high107 Ų10769.2 Ų69.250%0.49534%0.341SS..Hα-helixtrans-76.9-28.8178.9-76.8-61.8000113.6F6 I91 L93 N98F6-H95 AromaticContact CE1-ND1 3.89Å; I91-H95 PolarHBondContact O-CD2 3.3Å; I91-H95 PolarHBondContact O-N 2.68Å; I91-H95 VanDerWaalsContact O-N 3.1Å; L93-H95 VanDerWaalsContact C-N 3.29Å; L93-H95 PolarHBondContact O-N 3.02Å; H95-N98 PolarHBondContact O-OD1 3.43Å; H95-N98 VanDerWaalsContact O-OD1 3.14Å
96W95.4Very high95.5Very high206 Ų20669.3 Ų69.378%0.7834%0.342SS*.Hα-helixtrans-75.5-38.4179.6-178.8-94.8000112.2A92 L93 N98A92-W96 VanDerWaalsContact O-CB 3.25Å; A92-W96 WeakPolarHBondContact O-CB 3.42Å; A92-W96 PolarHBondContact O-N 3.38Å; L93-W96 PolarHBondContact O-N 2.96Å; L93-W96 VanDerWaalsContact O-N 3.15Å; W96-N98 VanDerWaalsContact C-N 3.32Å; W96-N98 PolarHBondContact O-N 3.26Å
97E96.6Very high95.4Very high53 Ų5374.8 Ų74.825%0.24837%0.367CS..THydrogen-bonded Turntrans-95.625.5-178.3-60.4-60.8163.400112.8L93 A146 I147L93-E97 HydrophobicContact CD1-CG 3.69Å; L93-E97 HydrophobicContact CG-CG 4.29Å; L93-E97 WeakPolarHBondContact O-CB 3.11Å; L93-E97 PolarHBondContact O-N 3.04Å; E97-A146 HydrophobicContact CB-CB 3.88Å; E97-A146 HydrophobicContact CG-CB 4.28Å; E97-I147 HydrophobicContact CB-CD1 4.03Å; E97-I147 HydrophobicContact CG-CD1 4.29Å
98N96.4Very high95.3Very high54 Ų5471.6 Ų71.629%0.28936%0.36SS..  trans-77.1156.4177.181.8-44000111.4A5 F6 H95 W96A5-N98 WeakPolarHBondContact O-CA 3.3Å; A5-N98 WeakPolarHBondContact O-CB 3.48Å; F6-N98 HydrophobicContact CD1-CB 3.56Å; F6-N98 HydrophobicContact CE1-CB 3.45Å; F6-N98 VanDerWaalsContact CE1-CB 3.45Å; F6-N98 HydrophobicContact CG-CB 4.46Å; F6-N98 HydrophobicContact CZ-CB 4.28Å; H95-N98 PolarHBondContact O-OD1 3.43Å; H95-N98 VanDerWaalsContact O-OD1 3.14Å; W96-N98 VanDerWaalsContact C-N 3.32Å; W96-N98 PolarHBondContact O-N 3.26Å
99E96.7Very high95.2Very high48 Ų4875 Ų7522%0.22437%0.369CS..EExtended strand (participates in β ladder)trans-117.6130.7176.9-70.7-81.7-158.300109.5T4 A5 L139 S142 V143T4-E99 CarbonylContact C-O 3.5Å; T4-E99 VanDerWaalsContact CA-O 3.27Å; T4-E99 WeakPolarHBondContact CA-O 3.34Å; A5-E99 HydrophobicContact CB-CB 4.33Å; A5-E99 PolarHBondContact N-O 3.29Å; A5-E99 PolarHBondContact O-N 3.08Å; A5-E99 VanDerWaalsContact O-N 3.08Å; E99-L139 HydrophobicContact CB-CD2 4.04Å; E99-S142 PolarHBondContact OE1-OG 3.46Å; E99-V143 HydrophobicContact CB-CG1 3.78Å; E99-V143 HydrophobicContact CG-CG1 3.49Å; E99-V143 VanDerWaalsContact CG-CG1 3.49Å
100E96.2Very high95.2Very high103 Ų10374 Ų7448%0.48137%0.366SS..EExtended strand (participates in β ladder)trans-127.9124.1177.3-168.7-175.514800111H2 C3 T4H2-E100 IonicContact CE1-OE1 3.06Å; H2-E100 IonicContact CG-OE1 2.69Å; H2-E100 IonicContact ND1-OE1 2.73Å; H2-E100 PolarHBondContact ND1-OE1 3.03Å; C3-E100 WeakPolarHBondContact O-CA 3.18Å; T4-E100 HydrophobicContact CG2-CB 4.44Å
101L96.3Very high95.3Very high13 Ų1372.3 Ų72.37%0.06836%0.357CS..EExtended strand (participates in β ladder)trans-120.3141.1173.4-65.5-178.9000111.1C3 I117 L139 F222C3-L101 PolarHBondContact N-O 3.03Å; C3-L101 PolarHBondContact O-N 3.27Å; L101-I117 HydrophobicContact CB-CD1 4.12Å; L101-I117 HydrophobicContact CD1-CD1 3.93Å; L101-I117 HydrophobicContact CD1-CG1 4.27Å; L101-L139 HydrophobicContact CD1-CD2 3.84Å; L101-L139 HydrophobicContact CG-CD2 4.25Å; L101-F222 HydrophobicContact CD2-CE1 4.01Å
102N96.3Very high95.4Very high77 Ų7768 Ų6841%0.41234%0.335SS..EExtended strand (participates in β ladder)trans-79.7145.4169.2-70.8-65.3000109.8M1 H2 E116 I117M1-N102 WeakPolarHBondContact O-CA 3.33Å; H2-N102 PolarHBondContact CE1-OD1 2.88Å; H2-N102 PolarHBondContact ND1-OD1 2.97Å; H2-N102 VanDerWaalsContact ND1-OD1 3.16Å; N102-E116 WeakPolarHBondContact O-CA 3.49Å; N102-I117 PolarHBondContact O-N 3.37Å
103Y96.5Very high95.2Very high0 Ų069.3 Ų69.30%033%0.33CS..EExtended strand (participates in β ladder)trans-140152.8170.983.2-86.5000113.8M1 H2 C3 D52 W67 N68 I117 L119M1-Y103 HydrophobicContact CB-CD1 3.67Å; M1-Y103 HydrophobicContact CB-CD2 4.33Å; M1-Y103 HydrophobicContact CB-CE1 3.16Å; M1-Y103 HydrophobicContact CB-CE2 3.91Å; M1-Y103 HydrophobicContact CB-CG 4.22Å; M1-Y103 HydrophobicContact CE-CD2 4.13Å; M1-Y103 HydrophobicContact CE-CE2 3.55Å; M1-Y103 HydrophobicContact CG-CE1 4.37Å; M1-Y103 PolarHBondContact N-O 3.1Å; M1-Y103 PolarHBondContact O-N 2.95Å; M1-Y103 HydrophobicContact SD-CE2 3.95Å; H2-Y103 WeakPolarHBondContact O-CE1 3.29Å; C3-Y103 HydrophobicContact CB-CD1 4.33Å; D52-Y103 WeakPolarHBondContact OD2-CE2 3.47Å; D52-Y103 PolarHBondContact OD2-OH 2.7Å; W67-Y103 AromaticContact CE3-CD1 3.82Å; W67-Y103 HydrophobicContact CE3-CD1 3.82Å; W67-Y103 HydrophobicContact CE3-CD2 4.39Å; W67-Y103 AromaticContact CE3-CE1 3.64Å; W67-Y103 HydrophobicContact CE3-CE1 3.64Å; W67-Y103 HydrophobicContact CE3-CE2 4.23Å; W67-Y103 HydrophobicContact CE3-CG 4.17Å; W67-Y103 AromaticContact CE3-CZ 3.84Å; W67-Y103 AromaticContact CZ3-CD1 3.89Å; W67-Y103 HydrophobicContact CZ3-CD1 3.89Å; W67-Y103 HydrophobicContact CZ3-CD2 4.16Å; W67-Y103 HydrophobicContact CZ3-CE1 4.17Å; W67-Y103 HydrophobicContact CZ3-CE2 4.42Å; W67-Y103 AromaticContact CZ3-CG 3.86Å; W67-Y103 HydrophobicContact CZ3-CG 3.86Å; N68-Y103 VanDerWaalsContact CB-OH 3.31Å; N68-Y103 WeakPolarHBondContact CB-OH 3.2Å; Y103-I117 CarbonylContact C-O 3.52Å; Y103-I117 WeakPolarHBondContact CA-O 3.32Å; Y103-I117 VanDerWaalsContact CB-O 3.3Å; Y103-I117 WeakPolarHBondContact CB-O 3.47Å; Y103-L119 HydrophobicContact CD2-CD1 3.78Å; Y103-L119 HydrophobicContact CD2-CG 4.26Å; Y103-L119 HydrophobicContact CE2-CD1 3.9Å
104I95.7Very high95Very high58 Ų5878 Ų7830%0.29736%0.36SS..EExtended strand (participates in β ladder)trans-132.4157.917660169.1000110I106 E116 I117 K118 L119I104-I106 HydrophobicContact CD1-CG2 3.75Å; I104-I106 HydrophobicContact CG1-CG2 4.03Å; I104-E116 HydrophobicContact CG1-CG 4.43Å; I104-I117 PolarHBondContact N-O 3.34Å; I104-K118 HydrophobicContact CD1-CD 4.37Å; I104-K118 HydrophobicContact CD1-CG 4.27Å; I104-K118 HydrophobicContact CG1-CG 4.02Å; I104-K118 WeakPolarHBondContact O-CA 3.39Å; I104-L119 PolarHBondContact O-N 3.06Å
105K94.4Very high94.7Very high80 Ų8078.4 Ų78.435%0.34837%0.366SS..EExtended strand (participates in β ladder)trans-94.7136.7168.7-74.4-171.3173.71780109.8M1 G51 D52 L119M1-K105 HydrophobicContact CE-CG 4.31Å; G51-K105 PolarHBondContact O-NZ 3.46Å; D52-K105 VanDerWaalsContact CG-CE 3.41Å; D52-K105 WeakPolarHBondContact OD1-CE 3.37Å; D52-K105 IonicContact OD1-NZ 3.56Å; D52-K105 PolarHBondContact OD1-NZ 3.25Å; K105-L119 CarbonylContact C-O 3.59Å; K105-L119 VanDerWaalsContact CA-O 3.27Å; K105-L119 WeakPolarHBondContact CA-O 3.45Å; K105-L119 HydrophobicContact CG-CB 4.47Å
106I94.6Very high94.7Very high39 Ų3976.3 Ų76.320%0.236%0.356CS..EExtended strand (participates in β ladder)trans-135.2157.7-179.964163.3000110.4I104 K118 L119 N120 S121I104-I106 HydrophobicContact CD1-CG2 3.75Å; I104-I106 HydrophobicContact CG1-CG2 4.03Å; I106-K118 HydrophobicContact CD1-CB 3.64Å; I106-K118 HydrophobicContact CD1-CD 4.12Å; I106-K118 HydrophobicContact CD1-CG 4.47Å; I106-K118 HydrophobicContact CG1-CB 3.94Å; I106-K118 HydrophobicContact CG2-CB 4.31Å; I106-K118 HydrophobicContact CG2-CD 4.41Å; I106-L119 PolarHBondContact N-O 2.98Å; I106-N120 WeakPolarHBondContact O-CA 3.28Å; I106-S121 PolarHBondContact O-N 3.26Å; I106-S121 PolarHBondContact O-OG 3.21Å; I106-S121 VanDerWaalsContact O-OG 3.09Å
107E93.2Very high94.8Very high161 Ų16166.5 Ų66.575%0.75232%0.319SS*.SBendtrans-72.9134.9164.3-65.8174.8-176.700109.5
108G92.1Very high94.8Very high29 Ų2966.2 Ų66.230%0.29932%0.317SS..SBendtrans91-172.7-178.800000115.2N120G108-N120 WeakPolarHBondContact O-CA 3.42Å; G108-N120 WeakPolarHBondContact O-CB 3.25Å; G108-N120 PolarHBondContact O-ND2 3.01Å; G108-N120 PolarHBondContact O-OD1 3.37Å
109Q93.6Very high94.8Very high157 Ų15763.9 Ų63.973%0.73431%0.305SS*.  trans-62.9139.1-166.2-68.9-176.4-22.200114.6
110S96.6Very high94.7Very high12 Ų1262.8 Ų62.88%0.08430%0.3CS..  trans-63.8145.7174.3-68.30000112.7K118 L119 N120 E131 L215S110-K118 CarbonylContact C-O 3.55Å; S110-K118 WeakPolarHBondContact CA-O 3.39Å; S110-K118 WeakPolarHBondContact CB-O 3.43Å; S110-L119 WeakPolarHBondContact OG-CA 3.32Å; S110-N120 PolarHBondContact OG-N 3.43Å; S110-E131 VanDerWaalsContact CB-CD 3.47Å; S110-E131 VanDerWaalsContact CB-OE1 3.27Å; S110-E131 WeakPolarHBondContact CB-OE1 3.34Å; S110-E131 WeakPolarHBondContact CB-OE2 3.43Å; S110-E131 PolarHBondContact OG-OE1 3.02Å; S110-E131 PolarHBondContact OG-OE2 3.35Å; S110-L215 WeakPolarHBondContact O-CD2 3.31Å
111K96.1Very high94.6Very high95 Ų9560.7 Ų60.741%0.41330%0.297SS..EExtended strand (participates in β ladder)trans-166.1152.6179.158.5-167.3173.5-162.20111.9K118K111-K118 HydrophobicContact CG-CB 4.24Å; K111-K118 PolarHBondContact N-O 3.02Å; K111-K118 PolarHBondContact O-N 3.12Å
112L95.4Very high94.4Very high22 Ų2266.6 Ų66.612%0.11532%0.324CS..EExtended strand (participates in β ladder)trans-87.6125.7161.4-17562.6000109.6I117 F135 T219 F222L112-I117 HydrophobicContact CD1-CG1 3.76Å; L112-F135 HydrophobicContact CB-CE1 4.11Å; L112-T219 HydrophobicContact CD2-CG2 4.27Å; L112-F222 HydrophobicContact CD2-CB 3.4Å; L112-F222 HydrophobicContact CD2-CD1 3.85Å; L112-F222 HydrophobicContact CD2-CD2 4.34Å; L112-F222 HydrophobicContact CD2-CG 3.6Å; L112-F222 HydrophobicContact CG-CG 4.45Å
113H92.2Very high94.1Very high90 Ų9065.3 Ų65.342%0.41732%0.317SS..EExtended strand (participates in β ladder)trans-138.1117.9176.5-171.275.1000110.9G115 E116H113-G115 VanDerWaalsContact C-N 3.26Å; H113-G115 PolarHBondContact O-N 2.95Å; H113-E116 PolarHBondContact N-O 3.27Å; H113-E116 PolarHBondContact O-N 3.25Å; H113-E116 VanDerWaalsContact O-N 3.1Å
114R89.4Confident93.8Very high226 Ų22669.5 Ų69.585%0.85334%0.34SS*.THydrogen-bonded Turntrans53.439.8178.1-60.9178.4176-170.1-1.6113.5E116R114-E116 VanDerWaalsContact C-N 3.29Å; R114-E116 PolarHBondContact O-N 3.06Å
115G90.4Very high93.4Very high17 Ų1772.3 Ų72.318%0.17535%0.354CS..THydrogen-bonded Turntrans77.29.9179.400000115.2H113H113-G115 VanDerWaalsContact C-N 3.26Å; H113-G115 PolarHBondContact O-N 2.95Å
116E95.8Very high93.1Very high62 Ų6271.9 Ų71.929%0.2936%0.356SS..EExtended strand (participates in β ladder)trans-114.2126.4170.9-174.6-178.9-11700109.8N102 I104 H113 R114 K118N102-E116 WeakPolarHBondContact O-CA 3.49Å; I104-E116 HydrophobicContact CG1-CG 4.43Å; H113-E116 PolarHBondContact N-O 3.27Å; H113-E116 PolarHBondContact O-N 3.25Å; H113-E116 VanDerWaalsContact O-N 3.1Å; R114-E116 VanDerWaalsContact C-N 3.29Å; R114-E116 PolarHBondContact O-N 3.06Å; E116-K118 WeakPolarHBondContact OE2-CE 3.44Å
117I97.3Very high93Very high0 Ų073.6 Ų73.60%037%0.366CS..EExtended strand (participates in β ladder)trans-78.8128.1174.1-61.3170000108.3W67 L101 N102 Y103 I104 L112 L119 F135W67-I117 HydrophobicContact CH2-CD1 3.72Å; W67-I117 HydrophobicContact CH2-CG2 4.26Å; W67-I117 HydrophobicContact CZ3-CD1 4.34Å; W67-I117 HydrophobicContact CZ3-CG2 4.45Å; L101-I117 HydrophobicContact CB-CD1 4.12Å; L101-I117 HydrophobicContact CD1-CD1 3.93Å; L101-I117 HydrophobicContact CD1-CG1 4.27Å; N102-I117 PolarHBondContact O-N 3.37Å; Y103-I117 CarbonylContact C-O 3.52Å; Y103-I117 WeakPolarHBondContact CA-O 3.32Å; Y103-I117 VanDerWaalsContact CB-O 3.3Å; Y103-I117 WeakPolarHBondContact CB-O 3.47Å; I104-I117 PolarHBondContact N-O 3.34Å; L112-I117 HydrophobicContact CD1-CG1 3.76Å; I117-L119 HydrophobicContact CG2-CD2 3.82Å; I117-L119 HydrophobicContact CG2-CG 4Å; I117-F135 HydrophobicContact CD1-CB 4.19Å; I117-F135 HydrophobicContact CD1-CD1 3.98Å; I117-F135 HydrophobicContact CD1-CG 4.03Å; I117-F135 HydrophobicContact CG1-CD1 4.06Å; I117-F135 HydrophobicContact CG1-CE1 4.19Å; I117-F135 HydrophobicContact CG1-CG 4.47Å; I117-F135 HydrophobicContact CG2-CD1 4.27Å; I117-F135 HydrophobicContact CG2-CD2 3.83Å; I117-F135 HydrophobicContact CG2-CE1 4.07Å; I117-F135 HydrophobicContact CG2-CE2 3.6Å; I117-F135 HydrophobicContact CG2-CG 4.18Å; I117-F135 HydrophobicContact CG2-CZ 3.71Å
118K96.6Very high92.9Very high47 Ų4767.1 Ų67.120%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-111.8114.6174-55.5-169.7176.7-167.30107.3I104 I106 S110 K111 E116I104-K118 HydrophobicContact CD1-CD 4.37Å; I104-K118 HydrophobicContact CD1-CG 4.27Å; I104-K118 HydrophobicContact CG1-CG 4.02Å; I104-K118 WeakPolarHBondContact O-CA 3.39Å; I106-K118 HydrophobicContact CD1-CB 3.64Å; I106-K118 HydrophobicContact CD1-CD 4.12Å; I106-K118 HydrophobicContact CD1-CG 4.47Å; I106-K118 HydrophobicContact CG1-CB 3.94Å; I106-K118 HydrophobicContact CG2-CB 4.31Å; I106-K118 HydrophobicContact CG2-CD 4.41Å; S110-K118 CarbonylContact C-O 3.55Å; S110-K118 WeakPolarHBondContact CA-O 3.39Å; S110-K118 WeakPolarHBondContact CB-O 3.43Å; K111-K118 HydrophobicContact CG-CB 4.24Å; K111-K118 PolarHBondContact N-O 3.02Å; K111-K118 PolarHBondContact O-N 3.12Å; E116-K118 WeakPolarHBondContact OE2-CE 3.44Å
119L96.1Very high92.9Very high6 Ų666.2 Ų66.23%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-99.3139.4178.8-65.8-178.7000110.3W67 Y103 I104 K105 I106 S110 I117 S121 E131 K132 F135W67-L119 HydrophobicContact CE3-CD1 4.39Å; W67-L119 HydrophobicContact CZ3-CD1 3.86Å; Y103-L119 HydrophobicContact CD2-CD1 3.78Å; Y103-L119 HydrophobicContact CD2-CG 4.26Å; Y103-L119 HydrophobicContact CE2-CD1 3.9Å; I104-L119 PolarHBondContact O-N 3.06Å; K105-L119 CarbonylContact C-O 3.59Å; K105-L119 VanDerWaalsContact CA-O 3.27Å; K105-L119 WeakPolarHBondContact CA-O 3.45Å; K105-L119 HydrophobicContact CG-CB 4.47Å; I106-L119 PolarHBondContact N-O 2.98Å; S110-L119 WeakPolarHBondContact OG-CA 3.32Å; I117-L119 HydrophobicContact CG2-CD2 3.82Å; I117-L119 HydrophobicContact CG2-CG 4Å; L119-S121 PolarHBondContact O-N 3.16Å; L119-E131 HydrophobicContact CD2-CB 4.5Å; L119-K132 HydrophobicContact CD1-CD 4.48Å; L119-K132 HydrophobicContact CD1-CG 3.88Å; L119-F135 HydrophobicContact CD2-CD2 3.95Å; L119-F135 HydrophobicContact CD2-CE2 3.66Å
120N95Very high93Very high24 Ų2459.9 Ų59.913%0.12830%0.299CS..EExtended strand (participates in β ladder)trans-67.6123.4175.5-173.8-7.1000109.9I106 G108 S110 E122 L123I106-N120 WeakPolarHBondContact O-CA 3.28Å; G108-N120 WeakPolarHBondContact O-CA 3.42Å; G108-N120 WeakPolarHBondContact O-CB 3.25Å; G108-N120 PolarHBondContact O-ND2 3.01Å; G108-N120 PolarHBondContact O-OD1 3.37Å; S110-N120 PolarHBondContact OG-N 3.43Å; N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 WeakPolarHBondContact OD1-CB 3.49Å; N120-E122 PolarHBondContact OD1-N 2.89Å; N120-L123 HydrophobicContact CB-CD1 3.81Å; N120-L123 HydrophobicContact CB-CG 3.82Å
121S92.8Very high92.9Very high60 Ų6060.5 Ų60.542%0.4230%0.301SS..SBendtrans-79.2-13.4177.8540000114.4I106 L119I106-S121 PolarHBondContact O-N 3.26Å; I106-S121 PolarHBondContact O-OG 3.21Å; I106-S121 VanDerWaalsContact O-OG 3.09Å; L119-S121 PolarHBondContact O-N 3.16Å
122E92.4Very high92.9Very high136 Ų13656.3 Ų56.364%0.63628%0.282SS*.SBendtrans-95.5-4.6-172-55.2175.614400113.2N120N120-E122 VanDerWaalsContact C-N 3.32Å; N120-E122 WeakPolarHBondContact OD1-CB 3.49Å; N120-E122 PolarHBondContact OD1-N 2.89Å
123L90.4Very high92.9Very high50 Ų5055.7 Ų55.726%0.26228%0.279SS..SBendtrans-71.8152.2177.5-66.7176.9000111.5N120 D127 A128 E131N120-L123 HydrophobicContact CB-CD1 3.81Å; N120-L123 HydrophobicContact CB-CG 3.82Å; L123-D127 HydrophobicContact CB-CB 4.1Å; L123-D127 HydrophobicContact CD1-CB 4.18Å; L123-D127 HydrophobicContact CD2-CB 4.06Å; L123-D127 HydrophobicContact CG-CB 4.33Å; L123-A128 HydrophobicContact CB-CB 4.31Å; L123-E131 HydrophobicContact CD1-CG 4.05Å; L123-E131 WeakPolarHBondContact CD1-OE1 3.4Å; L123-E131 WeakPolarHBondContact CD1-OE2 3.48Å
124D90.5Very high93Very high89 Ų8951.4 Ų51.448%0.47626%0.259SS..  trans-67.9172.5165.270.515.7000110.9D126 D127 A128D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 3Å; D124-D126 PolarHBondContact OD1-N 3.33Å; D124-D127 VanDerWaalsContact OD1-CB 3.27Å; D124-D127 WeakPolarHBondContact OD1-CB 3.36Å; D124-D127 PolarHBondContact OD1-N 3.28Å; D124-A128 VanDerWaalsContact O-CB 3.23Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 3.45Å
125L85.9Confident93.4Very high116 Ų11640.7 Ų40.761%0.60722%0.218SC*.Hα-helixtrans-62.5-38.9-174.6-175.865.9000111.7I129L125-I129 HydrophobicContact CD1-CD1 4.37Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CD1 3.28Å; L125-I129 WeakPolarHBondContact O-CD1 3.48Å; L125-I129 WeakPolarHBondContact O-CG1 3.25Å; L125-I129 PolarHBondContact O-N 3.46Å
126D89Confident93.7Very high72 Ų7239.9 Ų39.939%0.38521%0.21SC..Hα-helixtrans-72.9-47.1-173.5-68.1-19.5000110.7S31 D124 A128 I129 L130S31-D126 WeakPolarHBondContact CB-OD1 3.29Å; S31-D126 PolarHBondContact OG-OD1 3.34Å; D124-D126 VanDerWaalsContact C-N 3.28Å; D124-D126 PolarHBondContact O-N 3Å; D124-D126 PolarHBondContact OD1-N 3.33Å; D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.07Å; D126-I129 WeakPolarHBondContact O-CB 3.33Å; D126-I129 PolarHBondContact O-N 3.01Å; D126-I129 VanDerWaalsContact O-N 3.14Å; D126-L130 WeakPolarHBondContact O-CG 3.46Å; D126-L130 PolarHBondContact O-N 3.33Å
127D91.3Very high93.6Very high74 Ų7437.2 Ų37.240%0.39620%0.198SC..Hα-helixtrans-62.5-39.3174.8-74.3-22.2000111.5L123 D124 I129 L130 E131L123-D127 HydrophobicContact CB-CB 4.1Å; L123-D127 HydrophobicContact CD1-CB 4.18Å; L123-D127 HydrophobicContact CD2-CB 4.06Å; L123-D127 HydrophobicContact CG-CB 4.33Å; D124-D127 VanDerWaalsContact OD1-CB 3.27Å; D124-D127 WeakPolarHBondContact OD1-CB 3.36Å; D124-D127 PolarHBondContact OD1-N 3.28Å; D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 3.44Å; D127-L130 PolarHBondContact O-N 3.36Å; D127-E131 PolarHBondContact O-N 3.47Å
128A92.1Very high93.5Very high26 Ų2637.2 Ų37.222%0.21520%0.198CC..Hα-helixtrans-63.4-35175.600000112.6L123 D124 D126 K132L123-A128 HydrophobicContact CB-CB 4.31Å; D124-A128 VanDerWaalsContact O-CB 3.23Å; D124-A128 WeakPolarHBondContact O-CB 3.39Å; D124-A128 PolarHBondContact O-N 3.45Å; D126-A128 VanDerWaalsContact C-N 3.31Å; D126-A128 PolarHBondContact O-N 3.07Å; A128-K132 WeakPolarHBondContact O-CG 3.41Å; A128-K132 PolarHBondContact O-N 3.05Å; A128-K132 VanDerWaalsContact O-N 3.16Å
129I92.9Very high93.4Very high10 Ų1035 Ų355%0.05119%0.188CC..Hα-helixtrans-68.7-41.3173.6-70.5156.8000110.5V29 L32 F57 L125 D126 D127 K132 F133V29-I129 HydrophobicContact CG1-CD1 3.53Å; L32-I129 HydrophobicContact CD2-CG2 4.06Å; L32-I129 HydrophobicContact CG-CG2 4.46Å; F57-I129 HydrophobicContact CE1-CG2 4.27Å; F57-I129 HydrophobicContact CZ-CG2 4.29Å; L125-I129 HydrophobicContact CD1-CD1 4.37Å; L125-I129 HydrophobicContact CG-CD1 3.94Å; L125-I129 VanDerWaalsContact O-CD1 3.28Å; L125-I129 WeakPolarHBondContact O-CD1 3.48Å; L125-I129 WeakPolarHBondContact O-CG1 3.25Å; L125-I129 PolarHBondContact O-N 3.46Å; D126-I129 WeakPolarHBondContact O-CB 3.33Å; D126-I129 PolarHBondContact O-N 3.01Å; D126-I129 VanDerWaalsContact O-N 3.14Å; D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 3.44Å; I129-K132 PolarHBondContact O-N 3.36Å; I129-F133 WeakPolarHBondContact O-CB 3.39Å; I129-F133 PolarHBondContact O-N 2.86Å
130L93.8Very high93.4Very high23 Ų2334.7 Ų34.712%0.1219%0.187CC..Hα-helixtrans-65.2-38.2179.3-65.6173.3000112.5L32 P33 D126 D127 F133 A134 F205 L212L32-L130 HydrophobicContact CD2-CD2 3.77Å; P33-L130 HydrophobicContact CG-CD2 4.01Å; D126-L130 WeakPolarHBondContact O-CG 3.46Å; D126-L130 PolarHBondContact O-N 3.33Å; D127-L130 PolarHBondContact O-N 3.36Å; L130-F133 WeakPolarHBondContact O-CB 3.47Å; L130-F133 PolarHBondContact O-N 3.34Å; L130-A134 PolarHBondContact O-N 3.5Å; L130-F205 HydrophobicContact CD2-CE2 4.35Å; L130-F205 HydrophobicContact CD2-CZ 3.89Å; L130-L212 HydrophobicContact CB-CD1 3.89Å; L130-L212 HydrophobicContact CB-CD2 4.2Å
131E95Very high93.2Very high25 Ų2533.8 Ų33.812%0.11718%0.182CC..Hα-helixtrans-66.6-44.2173.1-70.1-168.4150.800111.9S110 L119 L123 D127 F133 A134 F135 L212 L215S110-E131 VanDerWaalsContact CB-CD 3.47Å; S110-E131 VanDerWaalsContact CB-OE1 3.27Å; S110-E131 WeakPolarHBondContact CB-OE1 3.34Å; S110-E131 WeakPolarHBondContact CB-OE2 3.43Å; S110-E131 PolarHBondContact OG-OE1 3.02Å; S110-E131 PolarHBondContact OG-OE2 3.35Å; L119-E131 HydrophobicContact CD2-CB 4.5Å; L123-E131 HydrophobicContact CD1-CG 4.05Å; L123-E131 WeakPolarHBondContact CD1-OE1 3.4Å; L123-E131 WeakPolarHBondContact CD1-OE2 3.48Å; D127-E131 PolarHBondContact O-N 3.47Å; E131-F133 PolarHBondContact O-N 3.05Å; E131-A134 PolarHBondContact O-N 3.03Å; E131-A134 VanDerWaalsContact O-N 3.16Å; E131-F135 WeakPolarHBondContact O-CD2 3.1Å; E131-F135 PolarHBondContact O-N 2.88Å; E131-L212 HydrophobicContact CG-CD2 3.91Å; E131-L215 HydrophobicContact CB-CD1 4.02Å; E131-L215 HydrophobicContact CG-CD1 3.78Å
132K95.9Very high93.4Very high7 Ų730.9 Ų30.93%0.0316%0.162CC..Hα-helixtrans-59.5-37.9172.9-76.7176.7178.4176.60111.6D52 F57 W67 L119 A128 I129 F135 S136D52-K132 VanDerWaalsContact CG-NZ 3.25Å; D52-K132 IonicContact OD1-NZ 2.8Å; D52-K132 PolarHBondContact OD1-NZ 3.11Å; D52-K132 VanDerWaalsContact OD2-CE 3.3Å; D52-K132 WeakPolarHBondContact OD2-CE 3.29Å; D52-K132 IonicContact OD2-NZ 3.67Å; D52-K132 PolarHBondContact OD2-NZ 2.92Å; F57-K132 HydrophobicContact CE2-CB 3.83Å; F57-K132 HydrophobicContact CZ-CB 3.68Å; W67-K132 HydrophobicContact CD2-CB 4.46Å; W67-K132 HydrophobicContact CD2-CD 4.2Å; W67-K132 HydrophobicContact CD2-CG 4.07Å; W67-K132 HydrophobicContact CE3-CD 4.33Å; W67-K132 HydrophobicContact CE3-CG 4.09Å; W67-K132 HydrophobicContact CG-CD 4.38Å; W67-K132 HydrophobicContact CH2-CG 4.26Å; W67-K132 HydrophobicContact CZ2-CB 4.18Å; W67-K132 HydrophobicContact CZ2-CG 4.26Å; W67-K132 HydrophobicContact CZ3-CG 4.19Å; L119-K132 HydrophobicContact CD1-CD 4.48Å; L119-K132 HydrophobicContact CD1-CG 3.88Å; A128-K132 WeakPolarHBondContact O-CG 3.41Å; A128-K132 PolarHBondContact O-N 3.05Å; A128-K132 VanDerWaalsContact O-N 3.16Å; I129-K132 PolarHBondContact O-N 3.36Å; K132-F135 PolarHBondContact O-N 3.21Å; K132-S136 VanDerWaalsContact O-CB 3.27Å; K132-S136 WeakPolarHBondContact O-CB 3.13Å; K132-S136 PolarHBondContact O-N 3.2Å; K132-S136 PolarHBondContact O-OG 3.12Å
133F95.1Very high93.6Very high10 Ų1024.4 Ų24.44%0.04413%0.132CC..Hα-helixtrans-60-47.4174.4169.8-94.2000110.9I39 F57 F59 I129 L130 E131 F135 S136 N137 F205I39-F133 HydrophobicContact CB-CE2 4.49Å; I39-F133 HydrophobicContact CD1-CD2 3.44Å; I39-F133 VanDerWaalsContact CD1-CD2 3.44Å; I39-F133 HydrophobicContact CD1-CE2 3.4Å; I39-F133 HydrophobicContact CG2-CE2 4.18Å; F57-F133 HydrophobicContact CD1-CD2 4.4Å; F57-F133 HydrophobicContact CE1-CB 3.91Å; F57-F133 HydrophobicContact CE1-CD2 4.45Å; F57-F133 HydrophobicContact CZ-CB 4.49Å; F59-F133 HydrophobicContact CE1-CE2 4.14Å; I129-F133 WeakPolarHBondContact O-CB 3.39Å; I129-F133 PolarHBondContact O-N 2.86Å; L130-F133 WeakPolarHBondContact O-CB 3.47Å; L130-F133 PolarHBondContact O-N 3.34Å; E131-F133 PolarHBondContact O-N 3.05Å; F133-F135 VanDerWaalsContact C-N 3.33Å; F133-F135 PolarHBondContact O-N 3.32Å; F133-S136 PolarHBondContact O-N 3.28Å; F133-S136 VanDerWaalsContact O-N 3.08Å; F133-N137 WeakPolarHBondContact O-CB 3.42Å; F133-N137 PolarHBondContact O-N 2.79Å; F133-F205 HydrophobicContact CD1-CD1 4.2Å; F133-F205 AromaticContact CD1-CE1 3.6Å; F133-F205 HydrophobicContact CD1-CE1 3.6Å; F133-F205 AromaticContact CD1-CZ 3.95Å; F133-F205 HydrophobicContact CD1-CZ 3.95Å; F133-F205 AromaticContact CE1-CD1 3.52Å; F133-F205 HydrophobicContact CE1-CD1 3.52Å; F133-F205 AromaticContact CE1-CE1 3.4Å; F133-F205 HydrophobicContact CE1-CE1 3.4Å; F133-F205 VanDerWaalsContact CE1-CE1 3.4Å; F133-F205 HydrophobicContact CE1-CG 4.14Å; F133-F205 AromaticContact CE1-CZ 3.94Å; F133-F205 HydrophobicContact CE1-CZ 3.94Å; F133-F205 HydrophobicContact CZ-CD1 4.42Å
134A95Very high93.7Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-57.8-44.8179.900000112.5L130 E131 A138 Y206 L212 L215L130-A134 PolarHBondContact O-N 3.5Å; E131-A134 PolarHBondContact O-N 3.03Å; E131-A134 VanDerWaalsContact O-N 3.16Å; A134-A138 PolarHBondContact O-N 3.27Å; A134-Y206 WeakPolarHBondContact CA-OH 3.5Å; A134-Y206 HydrophobicContact CB-CE1 4.14Å; A134-L212 HydrophobicContact CB-CB 4.31Å; A134-L215 HydrophobicContact CB-CB 4.15Å
135F97.1Very high93.9Very high0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-65.1-43.4173.3-71.4-65000112.7W67 L112 I117 L119 E131 K132 F133 N137 A138 L139 L215 T219W67-F135 HydrophobicContact CH2-CB 3.87Å; W67-F135 HydrophobicContact CH2-CD2 4.23Å; W67-F135 HydrophobicContact CH2-CG 4.28Å; W67-F135 HydrophobicContact CZ2-CB 3.73Å; L112-F135 HydrophobicContact CB-CE1 4.11Å; I117-F135 HydrophobicContact CD1-CB 4.19Å; I117-F135 HydrophobicContact CD1-CD1 3.98Å; I117-F135 HydrophobicContact CD1-CG 4.03Å; I117-F135 HydrophobicContact CG1-CD1 4.06Å; I117-F135 HydrophobicContact CG1-CE1 4.19Å; I117-F135 HydrophobicContact CG1-CG 4.47Å; I117-F135 HydrophobicContact CG2-CD1 4.27Å; I117-F135 HydrophobicContact CG2-CD2 3.83Å; I117-F135 HydrophobicContact CG2-CE1 4.07Å; I117-F135 HydrophobicContact CG2-CE2 3.6Å; I117-F135 HydrophobicContact CG2-CG 4.18Å; I117-F135 HydrophobicContact CG2-CZ 3.71Å; L119-F135 HydrophobicContact CD2-CD2 3.95Å; L119-F135 HydrophobicContact CD2-CE2 3.66Å; E131-F135 WeakPolarHBondContact O-CD2 3.1Å; E131-F135 PolarHBondContact O-N 2.88Å; K132-F135 PolarHBondContact O-N 3.21Å; F133-F135 VanDerWaalsContact C-N 3.33Å; F133-F135 PolarHBondContact O-N 3.32Å; F135-N137 VanDerWaalsContact C-N 3.3Å; F135-N137 PolarHBondContact O-N 2.9Å; F135-A138 PolarHBondContact O-N 3.26Å; F135-L139 WeakPolarHBondContact O-CG 3.42Å; F135-L139 PolarHBondContact O-N 3.36Å; F135-L215 HydrophobicContact CE1-CB 4.41Å; F135-L215 HydrophobicContact CE2-CB 4.48Å; F135-L215 HydrophobicContact CE2-CD1 4.13Å; F135-L215 HydrophobicContact CE2-CD2 4.32Å; F135-L215 HydrophobicContact CZ-CB 4.17Å; F135-L215 HydrophobicContact CZ-CD1 4.4Å; F135-L215 HydrophobicContact CZ-CD2 3.8Å; F135-L215 HydrophobicContact CZ-CG 4.34Å; F135-T219 HydrophobicContact CD1-CG2 4.29Å; F135-T219 WeakPolarHBondContact CD1-OG1 3.28Å; F135-T219 WeakPolarHBondContact CE1-OG1 3.35Å
136S96.6Very high94.3Very high0 Ų012.6 Ų12.60%07%0.07CC..Hα-helixtrans-64.7-35.9-178.9-58.10000112.1F57 W67 K132 F133 L139 C140F57-S136 WeakPolarHBondContact CD2-OG 3.26Å; W67-S136 PolarHBondContact NE1-OG 3.48Å; K132-S136 VanDerWaalsContact O-CB 3.27Å; K132-S136 WeakPolarHBondContact O-CB 3.13Å; K132-S136 PolarHBondContact O-N 3.2Å; K132-S136 PolarHBondContact O-OG 3.12Å; F133-S136 PolarHBondContact O-N 3.28Å; F133-S136 VanDerWaalsContact O-N 3.08Å; S136-L139 PolarHBondContact O-N 3.19Å; S136-C140 WeakPolarHBondContact O-CB 3.36Å; S136-C140 PolarHBondContact O-N 3.16Å
137N94.2Very high94.6Very high7 Ų79.3 Ų9.34%0.0375%0.052CC..Hα-helixtrans-65-45.6178.4-169.27.7000111.1F59 F133 F135 L139 C140 L141 F199 Y206 Y216F59-N137 HydrophobicContact CE1-CB 4.13Å; F59-N137 HydrophobicContact CZ-CB 4.31Å; F133-N137 WeakPolarHBondContact O-CB 3.42Å; F133-N137 PolarHBondContact O-N 2.79Å; F135-N137 VanDerWaalsContact C-N 3.3Å; F135-N137 PolarHBondContact O-N 2.9Å; N137-L139 VanDerWaalsContact C-N 3.34Å; N137-L139 PolarHBondContact O-N 3.16Å; N137-C140 WeakPolarHBondContact O-CB 3.47Å; N137-C140 PolarHBondContact O-N 2.56Å; N137-L141 PolarHBondContact O-N 3.28Å; N137-L141 VanDerWaalsContact O-N 3.14Å; N137-F199 WeakPolarHBondContact OD1-CE2 3.37Å; N137-Y206 PolarHBondContact ND2-OH 2.83Å; N137-Y216 HydrophobicContact CB-CD2 4.16Å; N137-Y216 HydrophobicContact CB-CE2 4.22Å
138A94.7Very high94.7Very high0 Ų06.1 Ų6.10%03%0.034CC..Hα-helixtrans-65-35.6173.600000112.9A134 F135 L141 S142 Y216 T219A134-A138 PolarHBondContact O-N 3.27Å; F135-A138 PolarHBondContact O-N 3.26Å; A138-L141 WeakPolarHBondContact O-CB 3.37Å; A138-L141 PolarHBondContact O-N 3Å; A138-S142 PolarHBondContact O-N 3.4Å; A138-S142 VanDerWaalsContact O-N 3.17Å; A138-Y216 HydrophobicContact CB-CD2 3.89Å; A138-Y216 HydrophobicContact CB-CE2 4.15Å; A138-T219 HydrophobicContact CB-CG2 3.49Å; A138-T219 VanDerWaalsContact CB-CG2 3.49Å
139L96.4Very high94.8Very high0 Ų06.8 Ų6.80%03%0.033CC..Hα-helixtrans-67.1-40.9174.4-75.9168.8000112.2C3 A5 V65 E99 L101 F135 S136 N137 L141 S142 V143 L223C3-L139 WeakPolarHBondContact SG-CD1 3.37Å; A5-L139 HydrophobicContact CB-CB 3.9Å; V65-L139 HydrophobicContact CG1-CD1 4.15Å; V65-L139 HydrophobicContact CG2-CB 4.47Å; E99-L139 HydrophobicContact CB-CD2 4.04Å; L101-L139 HydrophobicContact CD1-CD2 3.84Å; L101-L139 HydrophobicContact CG-CD2 4.25Å; F135-L139 WeakPolarHBondContact O-CG 3.42Å; F135-L139 PolarHBondContact O-N 3.36Å; S136-L139 PolarHBondContact O-N 3.19Å; N137-L139 VanDerWaalsContact C-N 3.34Å; N137-L139 PolarHBondContact O-N 3.16Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 PolarHBondContact O-N 3.03Å; L139-S142 WeakPolarHBondContact O-CB 3.16Å; L139-S142 PolarHBondContact O-N 3.33Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.18Å; L139-V143 VanDerWaalsContact O-N 3.07Å; L139-L223 HydrophobicContact CD2-CD1 3.98Å
140C94.3Very high94.9Very high0 Ų07.5 Ų7.50%04%0.04CC..Hα-helixtrans-55-46173.7176.10000111F59 A63 S136 N137 S142 V143 K144 F199F59-C140 HydrophobicContact CD1-CB 4.26Å; F59-C140 HydrophobicContact CD2-CB 3.85Å; F59-C140 HydrophobicContact CE1-CB 4.38Å; F59-C140 HydrophobicContact CE2-CB 4.01Å; F59-C140 HydrophobicContact CG-CB 3.99Å; F59-C140 HydrophobicContact CZ-CB 4.27Å; A63-C140 HydrophobicContact CB-CB 4.19Å; A63-C140 WeakPolarHBondContact CB-SG 3.44Å; S136-C140 WeakPolarHBondContact O-CB 3.36Å; S136-C140 PolarHBondContact O-N 3.16Å; N137-C140 WeakPolarHBondContact O-CB 3.47Å; N137-C140 PolarHBondContact O-N 2.56Å; C140-S142 VanDerWaalsContact C-N 3.34Å; C140-S142 PolarHBondContact O-N 2.84Å; C140-V143 VanDerWaalsContact O-CG2 3.29Å; C140-V143 WeakPolarHBondContact O-CG2 3.36Å; C140-K144 WeakPolarHBondContact O-CB 3.49Å; C140-K144 WeakPolarHBondContact O-CG 3.48Å; C140-K144 PolarHBondContact O-N 3.38Å; C140-F199 HydrophobicContact CB-CZ 3.93Å; C140-F199 WeakPolarHBondContact SG-CZ 3.27Å
141L92.6Very high94.9Very high4 Ų48.5 Ų8.52%0.0215%0.049CC..Hα-helixtrans-56.2-46.4172.3-79.5166.3000112.9N137 A138 L139 L145 F199 L200 Y216 I225N137-L141 PolarHBondContact O-N 3.28Å; N137-L141 VanDerWaalsContact O-N 3.14Å; A138-L141 WeakPolarHBondContact O-CB 3.37Å; A138-L141 PolarHBondContact O-N 3Å; L139-L141 VanDerWaalsContact C-N 3.29Å; L139-L141 PolarHBondContact O-N 3.03Å; L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 PolarHBondContact O-N 3.49Å; L141-F199 HydrophobicContact CB-CE1 4.05Å; L141-F199 HydrophobicContact CB-CZ 4.4Å; L141-F199 HydrophobicContact CD1-CZ 4.48Å; L141-F199 HydrophobicContact CD2-CB 4.41Å; L141-F199 HydrophobicContact CD2-CD1 3.07Å; L141-F199 HydrophobicContact CD2-CD2 4.31Å; L141-F199 HydrophobicContact CD2-CE1 3.13Å; L141-F199 HydrophobicContact CD2-CE2 4.33Å; L141-F199 HydrophobicContact CD2-CG 3.69Å; L141-F199 HydrophobicContact CD2-CZ 3.76Å; L141-F199 WeakPolarHBondContact CD2-O 3.36Å; L141-F199 HydrophobicContact CG-CD1 3.82Å; L141-F199 HydrophobicContact CG-CE1 3.32Å; L141-F199 HydrophobicContact CG-CE2 4.22Å; L141-F199 HydrophobicContact CG-CG 4.44Å; L141-F199 HydrophobicContact CG-CZ 3.5Å; L141-L200 HydrophobicContact CD2-CD2 3.8Å; L141-Y216 HydrophobicContact CD1-CE2 3.85Å; L141-Y216 WeakPolarHBondContact CD1-OH 3.37Å; L141-I225 HydrophobicContact CB-CD1 4.36Å
142S95.4Very high94.9Very high0 Ų07.3 Ų7.30%04%0.044CC..Hα-helixtrans-61.5-48-177.4-159.60000112.7E99 A138 L139 C140 L145 A146 R228E99-S142 PolarHBondContact OE1-OG 3.46Å; A138-S142 PolarHBondContact O-N 3.4Å; A138-S142 VanDerWaalsContact O-N 3.17Å; L139-S142 WeakPolarHBondContact O-CB 3.16Å; L139-S142 PolarHBondContact O-N 3.33Å; C140-S142 VanDerWaalsContact C-N 3.34Å; C140-S142 PolarHBondContact O-N 2.84Å; S142-L145 PolarHBondContact O-N 3.2Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.54Å; S142-R228 PolarHBondContact O-NH2 2.94Å; S142-R228 VanDerWaalsContact O-NH2 3.09Å; S142-R228 PolarHBondContact OG-NH1 3.48Å
143V96.6Very high94.9Very high0 Ų09.8 Ų9.80%06%0.057CC..Hα-helixtrans-70.6-38.5-178.2-650000111.9A5 A7 A63 E99 L139 C140 A146 I147A5-V143 HydrophobicContact CB-CG1 3.81Å; A5-V143 HydrophobicContact CB-CG2 4.4Å; A7-V143 HydrophobicContact CB-CB 3.93Å; A7-V143 HydrophobicContact CB-CG2 3.82Å; A63-V143 HydrophobicContact CB-CG2 4.1Å; E99-V143 HydrophobicContact CB-CG1 3.78Å; E99-V143 HydrophobicContact CG-CG1 3.49Å; E99-V143 VanDerWaalsContact CG-CG1 3.49Å; L139-V143 WeakPolarHBondContact O-CG2 3.36Å; L139-V143 PolarHBondContact O-N 3.18Å; L139-V143 VanDerWaalsContact O-N 3.07Å; C140-V143 VanDerWaalsContact O-CG2 3.29Å; C140-V143 WeakPolarHBondContact O-CG2 3.36Å; V143-A146 WeakPolarHBondContact O-CB 3.47Å; V143-A146 PolarHBondContact O-N 2.88Å; V143-I147 WeakPolarHBondContact O-CG1 3.46Å; V143-I147 PolarHBondContact O-N 3.24Å; V143-I147 VanDerWaalsContact O-N 3.15Å
144K93.3Very high94.8Very high3 Ų316.1 Ų16.11%0.0139%0.085CC..Hα-helixtrans-64.3-43.7175.1-73.8-67.6-64.7-160.90111.5A7 A9 D10 E61 A63 Y89 C140 A146 I147 W148A7-K144 HydrophobicContact CB-CD 3.79Å; A7-K144 HydrophobicContact CB-CG 4.28Å; A9-K144 PolarHBondContact O-NZ 3.36Å; D10-K144 PolarHBondContact O-NZ 3.03Å; E61-K144 VanDerWaalsContact O-CD 3.29Å; E61-K144 WeakPolarHBondContact O-CD 3.28Å; E61-K144 WeakPolarHBondContact O-CE 3.44Å; E61-K144 PolarHBondContact O-NZ 2.83Å; A63-K144 HydrophobicContact CB-CG 4.39Å; Y89-K144 PolarHBondContact OH-NZ 3.21Å; C140-K144 WeakPolarHBondContact O-CB 3.49Å; C140-K144 WeakPolarHBondContact O-CG 3.48Å; C140-K144 PolarHBondContact O-N 3.38Å; K144-A146 VanDerWaalsContact C-N 3.29Å; K144-A146 PolarHBondContact O-N 2.98Å; K144-I147 PolarHBondContact O-N 3.34Å; K144-W148 HydrophobicContact CB-CH2 4.39Å; K144-W148 HydrophobicContact CB-CZ2 4.33Å; K144-W148 PolarHBondContact O-N 2.98Å; K144-W148 VanDerWaalsContact O-N 3.14Å
145L93.8Very high94.8Very high1 Ų116.8 Ų16.81%0.0059%0.087CC..Hα-helixtrans-61.9-39.5176.7-174.557.8000111.5L141 S142 I147 W148 E149 I225 R228 V229 M232L141-L145 WeakPolarHBondContact O-CB 3.43Å; L141-L145 PolarHBondContact O-N 3.49Å; S142-L145 PolarHBondContact O-N 3.2Å; L145-I147 PolarHBondContact O-N 3.35Å; L145-W148 HydrophobicContact CD1-CE3 4.23Å; L145-W148 PolarHBondContact O-N 3.18Å; L145-E149 HydrophobicContact CD1-CG 4.39Å; L145-E149 HydrophobicContact CG-CG 4.36Å; L145-E149 WeakPolarHBondContact O-CB 3.39Å; L145-E149 VanDerWaalsContact O-CG 3.25Å; L145-E149 WeakPolarHBondContact O-CG 3.45Å; L145-E149 PolarHBondContact O-N 3.43Å; L145-I225 HydrophobicContact CD2-CD1 4.43Å; L145-I225 HydrophobicContact CD2-CG2 4.38Å; L145-R228 HydrophobicContact CD2-CB 3.43Å; L145-R228 VanDerWaalsContact CD2-CB 3.43Å; L145-R228 HydrophobicContact CG-CB 4.3Å; L145-V229 HydrophobicContact CD1-CG2 4.14Å; L145-V229 HydrophobicContact CD2-CG2 3.84Å; L145-M232 HydrophobicContact CD1-CE 3.57Å; L145-M232 HydrophobicContact CD1-SD 3.63Å
146A95.9Very high94.6Very high3 Ų319 Ų193%0.02510%0.099CC..Hα-helixtrans-61.2-43.8177.100000112.4E97 S142 V143 K144 W148 E149 A150E97-A146 HydrophobicContact CB-CB 3.88Å; E97-A146 HydrophobicContact CG-CB 4.28Å; S142-A146 WeakPolarHBondContact O-CB 3.44Å; S142-A146 PolarHBondContact O-N 2.54Å; V143-A146 WeakPolarHBondContact O-CB 3.47Å; V143-A146 PolarHBondContact O-N 2.88Å; K144-A146 VanDerWaalsContact C-N 3.29Å; K144-A146 PolarHBondContact O-N 2.98Å; A146-W148 VanDerWaalsContact C-N 3.34Å; A146-W148 PolarHBondContact O-N 2.98Å; A146-E149 PolarHBondContact O-N 2.83Å; A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 2.94Å
147I95Very high94.5Very high2 Ų225.5 Ų25.51%0.0113%0.129CC..Hα-helixtrans-61.4-41.7174.8-61-62.2000111.8A7 Y89 L93 E97 V143 K144 L145 S151A7-I147 HydrophobicContact CB-CG1 3.71Å; Y89-I147 HydrophobicContact CD1-CG2 4.2Å; Y89-I147 HydrophobicContact CD2-CB 4.41Å; Y89-I147 HydrophobicContact CD2-CD1 4.24Å; Y89-I147 HydrophobicContact CD2-CG1 3.95Å; Y89-I147 HydrophobicContact CD2-CG2 3.78Å; Y89-I147 HydrophobicContact CE1-CG2 4.09Å; Y89-I147 HydrophobicContact CE2-CB 4.17Å; Y89-I147 HydrophobicContact CE2-CG1 4.01Å; Y89-I147 HydrophobicContact CE2-CG2 3.65Å; Y89-I147 HydrophobicContact CG-CG2 4.06Å; L93-I147 HydrophobicContact CD2-CD1 3.86Å; L93-I147 HydrophobicContact CD2-CG2 4.21Å; L93-I147 HydrophobicContact CG-CD1 3.67Å; E97-I147 HydrophobicContact CB-CD1 4.03Å; E97-I147 HydrophobicContact CG-CD1 4.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.46Å; V143-I147 PolarHBondContact O-N 3.24Å; V143-I147 VanDerWaalsContact O-N 3.15Å; K144-I147 PolarHBondContact O-N 3.34Å; L145-I147 PolarHBondContact O-N 3.35Å; I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 2.88Å; I147-S151 PolarHBondContact O-OG 3.35Å
148W92.2Very high94.3Very high8 Ų827.4 Ų27.43%0.0314%0.143CC..Hα-helixtrans-69.2-39.7177.9-61.5-23.2000112.6K144 L145 A146 S151 L152 I193 S196 M232K144-W148 HydrophobicContact CB-CH2 4.39Å; K144-W148 HydrophobicContact CB-CZ2 4.33Å; K144-W148 PolarHBondContact O-N 2.98Å; K144-W148 VanDerWaalsContact O-N 3.14Å; L145-W148 HydrophobicContact CD1-CE3 4.23Å; L145-W148 PolarHBondContact O-N 3.18Å; A146-W148 VanDerWaalsContact C-N 3.34Å; A146-W148 PolarHBondContact O-N 2.98Å; W148-S151 PolarHBondContact O-N 3Å; W148-L152 WeakPolarHBondContact O-CB 3.42Å; W148-L152 PolarHBondContact O-N 3.13Å; W148-I193 HydrophobicContact CB-CD1 4.39Å; W148-I193 HydrophobicContact CB-CG1 4.15Å; W148-I193 HydrophobicContact CD2-CG1 4.17Å; W148-I193 HydrophobicContact CG-CG1 4.01Å; W148-S196 WeakPolarHBondContact CZ2-OG 3.19Å; W148-M232 HydrophobicContact CB-SD 3.77Å; W148-M232 HydrophobicContact CE3-CE 4.22Å; W148-M232 HydrophobicContact CE3-SD 4.47Å
149E94.6Very high94Very high40 Ų4027.6 Ų27.619%0.18714%0.144CC..Hα-helixtrans-58.2-49.2173.7-75.1171.9143.300110.4L145 A146 S151 L152 D153 R228 M232L145-E149 HydrophobicContact CD1-CG 4.39Å; L145-E149 HydrophobicContact CG-CG 4.36Å; L145-E149 WeakPolarHBondContact O-CB 3.39Å; L145-E149 VanDerWaalsContact O-CG 3.25Å; L145-E149 WeakPolarHBondContact O-CG 3.45Å; L145-E149 PolarHBondContact O-N 3.43Å; A146-E149 PolarHBondContact O-N 2.83Å; E149-S151 VanDerWaalsContact C-N 3.35Å; E149-S151 PolarHBondContact O-N 3.03Å; E149-L152 PolarHBondContact O-N 3.48Å; E149-D153 WeakPolarHBondContact O-CB 3.25Å; E149-D153 PolarHBondContact O-N 3.33Å; E149-R228 WeakPolarHBondContact OE1-CB 3.42Å; E149-R228 IonicContact OE1-NE 3.29Å; E149-R228 PolarHBondContact OE1-NE 3.49Å; E149-R228 IonicContact OE2-CZ 3.71Å; E149-R228 IonicContact OE2-NE 3.66Å; E149-R228 PolarHBondContact OE2-NE 2.8Å; E149-R228 VanDerWaalsContact OE2-NE 3.09Å; E149-R228 IonicContact OE2-NH2 3.6Å; E149-R228 PolarHBondContact OE2-NH2 3.16Å; E149-M232 HydrophobicContact CG-SD 4.4Å
150A95.6Very high93.6Very high25 Ų2532.5 Ų32.521%0.20717%0.167CC..Hα-helixtrans-62.2-39.9176.400000112.7L93 A146 D153 K154L93-A150 HydrophobicContact CD1-CB 3.74Å; A146-A150 WeakPolarHBondContact O-CB 3.49Å; A146-A150 PolarHBondContact O-N 2.94Å; A150-D153 PolarHBondContact O-N 3.44Å; A150-K154 WeakPolarHBondContact O-CB 3.35Å; A150-K154 PolarHBondContact O-N 3.49Å
151S93.6Very high93.1Very high43 Ų4336.2 Ų36.230%0.30119%0.193SC..Hα-helixtrans-64.7-39.8176.8-61.80000112.2I147 W148 E149 F155I147-S151 WeakPolarHBondContact O-CB 3.43Å; I147-S151 PolarHBondContact O-N 2.88Å; I147-S151 PolarHBondContact O-OG 3.35Å; W148-S151 PolarHBondContact O-N 3Å; E149-S151 VanDerWaalsContact C-N 3.35Å; E149-S151 PolarHBondContact O-N 3.03Å; S151-F155 PolarHBondContact O-N 3.43Å; S151-F155 VanDerWaalsContact O-N 3.12Å
152L94.7Very high92.7Very high1 Ų136.4 Ų36.41%0.00519%0.194CC..Hα-helixtrans-69.9-42.6176.4-179.458.1000111.7W148 E149 K154 F155 I156 L189 M232 K235 L236W148-L152 WeakPolarHBondContact O-CB 3.42Å; W148-L152 PolarHBondContact O-N 3.13Å; E149-L152 PolarHBondContact O-N 3.48Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.05Å; L152-F155 WeakPolarHBondContact O-CB 3.37Å; L152-F155 PolarHBondContact O-N 3.13Å; L152-F155 VanDerWaalsContact O-N 3.1Å; L152-I156 HydrophobicContact CD1-CD1 4.33Å; L152-I156 HydrophobicContact CD1-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 3.97Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.35Å; L152-L189 HydrophobicContact CB-CD2 4.02Å; L152-L189 HydrophobicContact CD1-CD2 3.79Å; L152-M232 HydrophobicContact CD2-CG 3.77Å; L152-M232 WeakPolarHBondContact CD2-O 3.38Å; L152-K235 HydrophobicContact CD2-CB 3.6Å; L152-K235 HydrophobicContact CD2-CD 4.32Å; L152-K235 HydrophobicContact CG-CB 4.38Å; L152-L236 HydrophobicContact CD1-CD1 4Å; L152-L236 HydrophobicContact CD2-CB 4.29Å
153D95.5Very high92.1Very high58 Ų5839 Ų3931%0.3121%0.21SC..Hα-helixtrans-63.1-41.5177.7-75.4-18.9000111.1E149 A150 F155 I156 E157 K235E149-D153 WeakPolarHBondContact O-CB 3.25Å; E149-D153 PolarHBondContact O-N 3.33Å; A150-D153 PolarHBondContact O-N 3.44Å; D153-F155 VanDerWaalsContact C-N 3.3Å; D153-F155 PolarHBondContact O-N 3.12Å; D153-I156 WeakPolarHBondContact O-CB 3.48Å; D153-I156 PolarHBondContact O-N 3.2Å; D153-E157 WeakPolarHBondContact O-CG 3.39Å; D153-E157 PolarHBondContact O-N 3.48Å; D153-K235 IonicContact OD1-NZ 3.92Å; D153-K235 PolarHBondContact OD1-NZ 3.39Å; D153-K235 IonicContact OD2-NZ 3.97Å; D153-K235 PolarHBondContact OD2-NZ 3.44Å
154K94.3Very high91.6Very high144 Ų14444.3 Ų44.363%0.62624%0.235SC*.Hα-helixtrans-59.4-39.1171.2-176.3175.2-176174.60112.7A150 L152 S158A150-K154 WeakPolarHBondContact O-CB 3.35Å; A150-K154 PolarHBondContact O-N 3.49Å; L152-K154 VanDerWaalsContact C-N 3.34Å; L152-K154 PolarHBondContact O-N 3.05Å; K154-S158 PolarHBondContact O-N 3.01Å
155F93.9Very high91.1Very high13 Ų1345.2 Ų45.26%0.05724%0.244CC..Hα-helixtrans-66.5-44.8175.1179.2-96.8000111.7S151 L152 D153 E157 S158 I159 K182 E185 L186 L189 C239S151-F155 PolarHBondContact O-N 3.43Å; S151-F155 VanDerWaalsContact O-N 3.12Å; L152-F155 WeakPolarHBondContact O-CB 3.37Å; L152-F155 PolarHBondContact O-N 3.13Å; L152-F155 VanDerWaalsContact O-N 3.1Å; D153-F155 VanDerWaalsContact C-N 3.3Å; D153-F155 PolarHBondContact O-N 3.12Å; F155-E157 PolarHBondContact O-N 2.86Å; F155-S158 WeakPolarHBondContact O-CB 3.42Å; F155-S158 PolarHBondContact O-N 3.21Å; F155-S158 PolarHBondContact O-OG 3.39Å; F155-I159 HydrophobicContact CD1-CD1 4.27Å; F155-I159 HydrophobicContact CE1-CD1 3.69Å; F155-I159 HydrophobicContact CE1-CG1 4.47Å; F155-I159 HydrophobicContact CE1-CG2 4.23Å; F155-I159 HydrophobicContact CE2-CG2 4.39Å; F155-I159 HydrophobicContact CZ-CD1 4.34Å; F155-I159 HydrophobicContact CZ-CG2 3.95Å; F155-I159 PolarHBondContact O-N 2.89Å; F155-K182 HydrophobicContact CE2-CB 4.5Å; F155-K182 HydrophobicContact CE2-CD 4.09Å; F155-K182 WeakPolarHBondContact CE2-O 3.35Å; F155-E185 HydrophobicContact CD2-CB 4.18Å; F155-E185 HydrophobicContact CE2-CB 3.91Å; F155-L186 HydrophobicContact CD1-CD1 3.98Å; F155-L186 HydrophobicContact CE1-CB 3.95Å; F155-L186 HydrophobicContact CE1-CD1 3.69Å; F155-L186 HydrophobicContact CE1-CD2 4.09Å; F155-L186 HydrophobicContact CE1-CG 4.12Å; F155-L186 HydrophobicContact CE2-CB 4.08Å; F155-L186 HydrophobicContact CZ-CB 3.6Å; F155-L186 HydrophobicContact CZ-CD1 4.25Å; F155-L186 HydrophobicContact CZ-CD2 4.3Å; F155-L186 HydrophobicContact CZ-CG 4.26Å; F155-L189 HydrophobicContact CB-CD2 4.37Å; F155-C239 HydrophobicContact CD1-CB 4.39Å; F155-C239 HydrophobicContact CE1-CB 4.04Å
156I94.3Very high90.4Very high47 Ų4749 Ų4924%0.24126%0.264CS..Hα-helixtrans-57.2-47.7177.3-71.7164.4000110.7L152 D153 S158 I159 Q160 K235 C239L152-I156 HydrophobicContact CD1-CD1 4.33Å; L152-I156 HydrophobicContact CD1-CG1 4.42Å; L152-I156 HydrophobicContact CG-CD1 3.97Å; L152-I156 VanDerWaalsContact O-CG1 3.32Å; L152-I156 WeakPolarHBondContact O-CG1 3.49Å; L152-I156 PolarHBondContact O-N 3.35Å; D153-I156 WeakPolarHBondContact O-CB 3.48Å; D153-I156 PolarHBondContact O-N 3.2Å; I156-S158 PolarHBondContact O-N 2.9Å; I156-I159 VanDerWaalsContact O-CG1 3.28Å; I156-I159 WeakPolarHBondContact O-CG1 3.34Å; I156-I159 PolarHBondContact O-N 2.8Å; I156-Q160 PolarHBondContact O-N 3.25Å; I156-K235 HydrophobicContact CD1-CB 4.13Å; I156-K235 HydrophobicContact CD1-CD 4.04Å; I156-K235 HydrophobicContact CD1-CG 4.27Å; I156-C239 WeakPolarHBondContact CG1-SG 3.41Å
157E93.3Very high89.8Confident137 Ų13758 Ų5864%0.6430%0.302SS*.Hα-helixtrans-56-39.7175.9-73.5177.4177.400111.6D153 F155 I159 Q160D153-E157 WeakPolarHBondContact O-CG 3.39Å; D153-E157 PolarHBondContact O-N 3.48Å; F155-E157 PolarHBondContact O-N 2.86Å; E157-I159 PolarHBondContact O-N 2.95Å; E157-Q160 PolarHBondContact O-N 2.88Å
158S91.3Very high89.4Confident47 Ų4760.9 Ų60.933%0.32933%0.326SS..Hα-helixtrans-67-20.9-179.787.80000114.2K154 F155 I156 K182K154-S158 PolarHBondContact O-N 3.01Å; F155-S158 WeakPolarHBondContact O-CB 3.42Å; F155-S158 PolarHBondContact O-N 3.21Å; F155-S158 PolarHBondContact O-OG 3.39Å; I156-S158 PolarHBondContact O-N 2.9Å; S158-K182 PolarHBondContact OG-NZ 2.83Å
159I88.6Confident88.8Confident4 Ų464 Ų642%0.02136%0.36CS..Hα-helixtrans-110.8-7.3-18067.2173.9000113.7F155 I156 E157 S161 I162 P163 K182 C239 L242F155-I159 HydrophobicContact CD1-CD1 4.27Å; F155-I159 HydrophobicContact CE1-CD1 3.69Å; F155-I159 HydrophobicContact CE1-CG1 4.47Å; F155-I159 HydrophobicContact CE1-CG2 4.23Å; F155-I159 HydrophobicContact CE2-CG2 4.39Å; F155-I159 HydrophobicContact CZ-CD1 4.34Å; F155-I159 HydrophobicContact CZ-CG2 3.95Å; F155-I159 PolarHBondContact O-N 2.89Å; I156-I159 VanDerWaalsContact O-CG1 3.28Å; I156-I159 WeakPolarHBondContact O-CG1 3.34Å; I156-I159 PolarHBondContact O-N 2.8Å; E157-I159 PolarHBondContact O-N 2.95Å; I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.43Å; I159-S161 VanDerWaalsContact O-N 3.16Å; I159-I162 HydrophobicContact CB-CD1 4.02Å; I159-I162 HydrophobicContact CG2-CD1 4.34Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 WeakPolarHBondContact O-CG1 3.44Å; I159-I162 PolarHBondContact O-N 2.98Å; I159-P163 VanDerWaalsContact O-CD 3.31Å; I159-P163 WeakPolarHBondContact O-CD 3.49Å; I159-K182 HydrophobicContact CG2-CD 4.05Å; I159-K182 HydrophobicContact CG2-CG 4.39Å; I159-C239 HydrophobicContact CD1-CB 4.48Å; I159-L242 HydrophobicContact CD1-CD2 3.73Å; I159-L242 HydrophobicContact CG1-CD2 4.2Å
160Q87.3Confident88Confident103 Ų10369.1 Ų69.148%0.48138%0.382SS..THydrogen-bonded Turntrans-57.6-35.2-172.8-175.8-178.3-35.300113.7I156 E157 I162 P163 E164I156-Q160 PolarHBondContact O-N 3.25Å; E157-Q160 PolarHBondContact O-N 2.88Å; Q160-I162 PolarHBondContact O-N 3.45Å; Q160-I162 VanDerWaalsContact O-N 3.12Å; Q160-P163 WeakPolarHBondContact O-CD 3.4Å; Q160-E164 PolarHBondContact NE2-OE1 3.12Å
161S84.6Confident86.9Confident78 Ų7876.6 Ų76.655%0.54541%0.41SS..Hα-helixtrans-63-18179.165.90000114I159 A165I159-S161 VanDerWaalsContact C-N 3.26Å; I159-S161 PolarHBondContact O-N 3.43Å; I159-S161 VanDerWaalsContact O-N 3.16Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 3.28Å
162I83.5Confident85.9Confident7 Ų775.9 Ų75.94%0.03640%0.404CS..Hα-helixtrans-77-55.3-172.1-56.4167.7000111.2I159 Q160 E164 A165 L166 V172 L174 M246I159-I162 HydrophobicContact CB-CD1 4.02Å; I159-I162 HydrophobicContact CG2-CD1 4.34Å; I159-I162 WeakPolarHBondContact O-CB 3.37Å; I159-I162 WeakPolarHBondContact O-CG1 3.44Å; I159-I162 PolarHBondContact O-N 2.98Å; Q160-I162 PolarHBondContact O-N 3.45Å; Q160-I162 VanDerWaalsContact O-N 3.12Å; I162-E164 PolarHBondContact O-N 3.18Å; I162-A165 PolarHBondContact O-N 2.86Å; I162-L166 HydrophobicContact CG2-CD1 4.27Å; I162-L166 WeakPolarHBondContact O-CG 3.5Å; I162-L166 PolarHBondContact O-N 3.36Å; I162-V172 HydrophobicContact CG2-CG1 4.13Å; I162-V172 HydrophobicContact CG2-CG2 4.31Å; I162-L174 HydrophobicContact CD1-CD1 3.31Å; I162-L174 HydrophobicContact CG1-CD1 3.64Å; I162-M246 HydrophobicContact CD1-CE 3.44Å; I162-M246 VanDerWaalsContact CD1-CE 3.44Å; I162-M246 HydrophobicContact CD1-SD 3.54Å; I162-M246 VanDerWaalsContact CD1-SD 3.54Å; I162-M246 HydrophobicContact CG2-CG 3.94Å; I162-M246 HydrophobicContact CG2-SD 3.95Å
163P82.6Confident84.8Confident54 Ų5485.3 Ų85.335%0.35145%0.445SS..Hα-helixtrans-51.4-40.6169.6-27.231.1000113.3I159 Q160 L166 K167 L242I159-P163 VanDerWaalsContact O-CD 3.31Å; I159-P163 WeakPolarHBondContact O-CD 3.49Å; Q160-P163 WeakPolarHBondContact O-CD 3.4Å; P163-L166 PolarHBondContact O-N 2.87Å; P163-K167 WeakPolarHBondContact O-CB 3.37Å; P163-K167 PolarHBondContact O-N 3.22Å; P163-L242 HydrophobicContact CG-CD1 3.82Å; P163-L242 HydrophobicContact CG-CD2 3.51Å; P163-L242 HydrophobicContact CG-CG 4.34Å
164E85.4Confident83.9Confident112 Ų11284.8 Ų84.852%0.52344%0.442SS..Hα-helixtrans-65.3-43.3-179.9-67.8-180-178.900112.2Q160 I162 K167 A168Q160-E164 PolarHBondContact NE2-OE1 3.12Å; I162-E164 PolarHBondContact O-N 3.18Å; E164-K167 PolarHBondContact O-N 3.1Å; E164-A168 WeakPolarHBondContact O-CB 3.14Å; E164-A168 PolarHBondContact O-N 3.1Å
165A82.5Confident83.3Confident23 Ų2380.5 Ų80.519%0.1943%0.429CS..Hα-helixtrans-63-43.1175.100000111.8S161 I162 A168 G169 K170 V172S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 3.28Å; I162-A165 PolarHBondContact O-N 2.86Å; A165-A168 PolarHBondContact O-N 3.33Å; A165-G169 PolarHBondContact O-N 3.49Å; A165-K170 HydrophobicContact CB-CB 4.48Å; A165-K170 PolarHBondContact O-N 3.04Å; A165-V172 HydrophobicContact CB-CG2 4.36Å
166L80.3Confident82.7Confident81 Ų8182.5 Ų82.542%0.42444%0.439SS..Hα-helixtrans-62.3-45.9176.9-70.9171.4000111.6I162 P163 A168 G169 V172I162-L166 HydrophobicContact CG2-CD1 4.27Å; I162-L166 WeakPolarHBondContact O-CG 3.5Å; I162-L166 PolarHBondContact O-N 3.36Å; P163-L166 PolarHBondContact O-N 2.87Å; L166-A168 VanDerWaalsContact C-N 3.26Å; L166-A168 PolarHBondContact O-N 3.47Å; L166-G169 PolarHBondContact O-N 3.2Å; L166-V172 HydrophobicContact CD2-CG2 3.55Å; L166-V172 HydrophobicContact CG-CG2 3.73Å
167K83.7Confident82.4Confident192 Ų19287.7 Ų87.784%0.83546%0.462SS*.Hα-helixtrans-58.5-37.9175.5-180-178.3175.3-177.60112.2P163 E164 G169P163-K167 WeakPolarHBondContact O-CB 3.37Å; P163-K167 PolarHBondContact O-N 3.22Å; E164-K167 PolarHBondContact O-N 3.1Å; K167-G169 PolarHBondContact O-N 3.15Å
168A86.3Confident82.1Confident62 Ų6285.2 Ų85.251%0.51245%0.451SS..THydrogen-bonded Turntrans-78.11.717800000113.9E164 A165 L166 K170E164-A168 WeakPolarHBondContact O-CB 3.14Å; E164-A168 PolarHBondContact O-N 3.1Å; A165-A168 PolarHBondContact O-N 3.33Å; L166-A168 VanDerWaalsContact C-N 3.26Å; L166-A168 PolarHBondContact O-N 3.47Å; A168-K170 HydrophobicContact CB-CD 4.07Å; A168-K170 HydrophobicContact CB-CG 3.93Å; A168-K170 PolarHBondContact O-N 2.92Å; A168-K170 VanDerWaalsContact O-N 3.16Å
169G79.2Confident81.9Confident72 Ų7283.1 Ų83.174%0.74244%0.436SS*.THydrogen-bonded Turntrans64.414.6-173.800000113.4A165 L166 K167A165-G169 PolarHBondContact O-N 3.49Å; L166-G169 PolarHBondContact O-N 3.2Å; K167-G169 PolarHBondContact O-N 3.15Å
170K78.6Confident81.9Confident149 Ų14986.1 Ų86.165%0.64845%0.451SS*.PPolyproline II helixtrans-80.4144.3180-67.6179.3-178175.10109A165 A168 V172A165-K170 HydrophobicContact CB-CB 4.48Å; A165-K170 PolarHBondContact O-N 3.04Å; A168-K170 HydrophobicContact CB-CD 4.07Å; A168-K170 HydrophobicContact CB-CG 3.93Å; A168-K170 PolarHBondContact O-N 2.92Å; A168-K170 VanDerWaalsContact O-N 3.16Å; K170-V172 PolarHBondContact O-N 2.92Å
171K70.9Confident82.1Confident182 Ų18286.7 Ų86.779%0.79145%0.453SS*.PPolyproline II helixtrans-62.3120.8170.6-70.8-176.8179.6178.40108.8K173K171-K173 PolarHBondContact O-N 3.28Å
172V73Confident82.4Confident28 Ų2885 Ų8517%0.1744%0.436CS..PPolyproline II helixtrans-61.1117.6168.3-177.60000107.7I162 A165 L166 K170 L174I162-V172 HydrophobicContact CG2-CG1 4.13Å; I162-V172 HydrophobicContact CG2-CG2 4.31Å; A165-V172 HydrophobicContact CB-CG2 4.36Å; L166-V172 HydrophobicContact CD2-CG2 3.55Å; L166-V172 HydrophobicContact CG-CG2 3.73Å; K170-V172 PolarHBondContact O-N 2.92Å; V172-L174 HydrophobicContact CG1-CB 4.05Å; V172-L174 HydrophobicContact CG1-CD1 3.84Å; V172-L174 HydrophobicContact CG1-CG 3.98Å; V172-L174 PolarHBondContact O-N 3.25Å
173K71.8Confident82.7Confident199 Ų19985.7 Ų85.787%0.86544%0.44SS*.  trans-88.948.4-179.6-64.4-175.2179.3-179.70111.1K171K171-K173 PolarHBondContact O-N 3.28Å
174L76.1Confident83.2Confident47 Ų4784.9 Ų84.925%0.24644%0.441CS..  trans-109.6128.7172-69.9167.7000108.9I162 V172 E178 V179 M246I162-L174 HydrophobicContact CD1-CD1 3.31Å; I162-L174 HydrophobicContact CG1-CD1 3.64Å; V172-L174 HydrophobicContact CG1-CB 4.05Å; V172-L174 HydrophobicContact CG1-CD1 3.84Å; V172-L174 HydrophobicContact CG1-CG 3.98Å; V172-L174 PolarHBondContact O-N 3.25Å; L174-E178 HydrophobicContact CD2-CB 3.9Å; L174-E178 HydrophobicContact CD2-CG 4.49Å; L174-V179 HydrophobicContact CB-CG2 3.91Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å; L174-M246 HydrophobicContact CD1-CE 3.95Å
175S82.4Confident83.5Confident53 Ų5382.9 Ų82.937%0.37143%0.432SS..  trans-66.4161167.269.20000110.2E177 E178 V179S175-E177 PolarHBondContact O-N 3.23Å; S175-E178 VanDerWaalsContact CB-OE2 3.25Å; S175-E178 WeakPolarHBondContact CB-OE2 3.48Å; S175-E178 PolarHBondContact N-OE2 3.08Å; S175-E178 PolarHBondContact O-N 2.96Å; S175-E178 VanDerWaalsContact OG-CG 3.28Å; S175-E178 WeakPolarHBondContact OG-CG 3.46Å; S175-E178 PolarHBondContact OG-N 3.02Å; S175-E178 VanDerWaalsContact OG-N 3.17Å; S175-E178 PolarHBondContact OG-OE2 2.84Å; S175-V179 PolarHBondContact O-N 2.65Å; S175-V179 VanDerWaalsContact O-N 3.17Å
176H82Confident84.1Confident55 Ų5582 Ų8226%0.25542%0.424SS..Hα-helixtrans-61.2-34.4174.5179.2-78.2000112.2V179 M180 L250 R254H176-V179 PolarHBondContact O-N 3.4Å; H176-M180 VanDerWaalsContact CE1-CG 3.49Å; H176-M180 WeakPolarHBondContact CE1-CG 3.37Å; H176-M180 VanDerWaalsContact O-CG 3.26Å; H176-M180 WeakPolarHBondContact O-CG 3.38Å; H176-M180 PolarHBondContact O-N 3.15Å; H176-L250 HydrophobicContact CB-CD1 4.16Å; H176-R254 PolarHBondContact CD2-NH2 3.16Å
177E86.8Confident84.6Confident157 Ų15784 Ų8473%0.73443%0.43SS*.Hα-helixtrans-65-47178-172.5172.2-177.200111.4S175 V179 M180 Q181S175-E177 PolarHBondContact O-N 3.23Å; E177-V179 VanDerWaalsContact C-N 3.32Å; E177-V179 PolarHBondContact O-N 3.45Å; E177-M180 PolarHBondContact O-N 2.87Å; E177-M180 VanDerWaalsContact O-N 3.14Å; E177-Q181 PolarHBondContact O-N 2.99Å
178E87.4Confident84.9Confident84 Ų8477.2 Ų77.239%0.39341%0.409SS..Hα-helixtrans-61.1-39.4177-70.7162.6123.800112.2L174 S175 Q181 K182L174-E178 HydrophobicContact CD2-CB 3.9Å; L174-E178 HydrophobicContact CD2-CG 4.49Å; S175-E178 VanDerWaalsContact CB-OE2 3.25Å; S175-E178 WeakPolarHBondContact CB-OE2 3.48Å; S175-E178 PolarHBondContact N-OE2 3.08Å; S175-E178 PolarHBondContact O-N 2.96Å; S175-E178 VanDerWaalsContact OG-CG 3.28Å; S175-E178 WeakPolarHBondContact OG-CG 3.46Å; S175-E178 PolarHBondContact OG-N 3.02Å; S175-E178 VanDerWaalsContact OG-N 3.17Å; S175-E178 PolarHBondContact OG-OE2 2.84Å; E178-Q181 PolarHBondContact O-N 3.02Å; E178-K182 WeakPolarHBondContact O-CG 3.29Å; E178-K182 PolarHBondContact O-N 3.03Å
179V86.6Confident85Confident4 Ų475.2 Ų75.22%0.02439%0.39CS..Hα-helixtrans-65.4-42.5175.2172.60000111.4L174 S175 H176 E177 Q181 K182 I183 M246 L250L174-V179 HydrophobicContact CB-CG2 3.91Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å; S175-V179 PolarHBondContact O-N 2.65Å; S175-V179 VanDerWaalsContact O-N 3.17Å; H176-V179 PolarHBondContact O-N 3.4Å; E177-V179 VanDerWaalsContact C-N 3.32Å; E177-V179 PolarHBondContact O-N 3.45Å; V179-Q181 VanDerWaalsContact C-N 3.3Å; V179-Q181 PolarHBondContact O-N 3.5Å; V179-K182 PolarHBondContact O-N 2.91Å; V179-I183 HydrophobicContact CG1-CD1 3.9Å; V179-I183 VanDerWaalsContact O-CG1 3.29Å; V179-I183 WeakPolarHBondContact O-CG1 3.17Å; V179-I183 PolarHBondContact O-N 2.73Å; V179-M246 HydrophobicContact CB-CE 4.29Å; V179-M246 HydrophobicContact CG1-CB 4.08Å; V179-M246 HydrophobicContact CG1-CE 4.04Å; V179-M246 HydrophobicContact CG2-CE 3.68Å; V179-L250 HydrophobicContact CB-CD1 3.64Å; V179-L250 HydrophobicContact CG1-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD1 3.56Å
180M88.1Confident85.5Confident66 Ų6676.1 Ų76.133%0.32537%0.371SS..Hα-helixtrans-64.7-35.4176.2-69.3-63.7130.800112.1H176 E177 I183 G184 R247H176-M180 VanDerWaalsContact CE1-CG 3.49Å; H176-M180 WeakPolarHBondContact CE1-CG 3.37Å; H176-M180 VanDerWaalsContact O-CG 3.26Å; H176-M180 WeakPolarHBondContact O-CG 3.38Å; H176-M180 PolarHBondContact O-N 3.15Å; E177-M180 PolarHBondContact O-N 2.87Å; E177-M180 VanDerWaalsContact O-N 3.14Å; M180-I183 HydrophobicContact CE-CD1 3.55Å; M180-I183 WeakPolarHBondContact O-CB 3.46Å; M180-I183 PolarHBondContact O-N 2.87Å; M180-I183 HydrophobicContact SD-CD1 3.86Å; M180-G184 PolarHBondContact O-N 2.88Å; M180-R247 HydrophobicContact CE-CG 4.07Å
181Q91.5Very high85.9Confident115 Ų11574.4 Ų74.454%0.53737%0.365SS..Hα-helixtrans-62.7-46.8173.1-175-178.2-12.400111.2E177 E178 V179 I183 G184 E185E177-Q181 PolarHBondContact O-N 2.99Å; E178-Q181 PolarHBondContact O-N 3.02Å; V179-Q181 VanDerWaalsContact C-N 3.3Å; V179-Q181 PolarHBondContact O-N 3.5Å; Q181-I183 VanDerWaalsContact C-N 3.33Å; Q181-I183 PolarHBondContact O-N 2.88Å; Q181-G184 PolarHBondContact O-N 3.43Å; Q181-G184 VanDerWaalsContact O-N 3.11Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.44Å; Q181-E185 PolarHBondContact NE2-OE1 2.92Å; Q181-E185 WeakPolarHBondContact O-CG 3.43Å; Q181-E185 PolarHBondContact O-N 3.45Å
182K91.2Very high86.5Confident42 Ų4271 Ų7118%0.18335%0.347CS..Hα-helixtrans-63.1-38177-68.2-64.5171-165.60113.2F155 S158 I159 E178 V179 E185 L186F155-K182 HydrophobicContact CE2-CB 4.5Å; F155-K182 HydrophobicContact CE2-CD 4.09Å; F155-K182 WeakPolarHBondContact CE2-O 3.35Å; S158-K182 PolarHBondContact OG-NZ 2.83Å; I159-K182 HydrophobicContact CG2-CD 4.05Å; I159-K182 HydrophobicContact CG2-CG 4.39Å; E178-K182 WeakPolarHBondContact O-CG 3.29Å; E178-K182 PolarHBondContact O-N 3.03Å; V179-K182 PolarHBondContact O-N 2.91Å; K182-E185 WeakPolarHBondContact CD-OE2 3.44Å; K182-E185 IonicContact NZ-OE1 2.88Å; K182-E185 IonicContact NZ-OE2 3.26Å; K182-E185 PolarHBondContact NZ-OE2 3.27Å; K182-E185 PolarHBondContact O-N 3.31Å; K182-L186 WeakPolarHBondContact O-CB 3.41Å; K182-L186 PolarHBondContact O-N 3.26Å
183I90.9Very high86.9Confident23 Ų2369.8 Ų69.812%0.11834%0.339CS..Hα-helixtrans-56.8-51.6169.8-71.8162.4000110.1V179 M180 Q181 E185 L186 F187 T243 R247V179-I183 HydrophobicContact CG1-CD1 3.9Å; V179-I183 VanDerWaalsContact O-CG1 3.29Å; V179-I183 WeakPolarHBondContact O-CG1 3.17Å; V179-I183 PolarHBondContact O-N 2.73Å; M180-I183 HydrophobicContact CE-CD1 3.55Å; M180-I183 WeakPolarHBondContact O-CB 3.46Å; M180-I183 PolarHBondContact O-N 2.87Å; M180-I183 HydrophobicContact SD-CD1 3.86Å; Q181-I183 VanDerWaalsContact C-N 3.33Å; Q181-I183 PolarHBondContact O-N 2.88Å; I183-E185 PolarHBondContact O-N 3.31Å; I183-L186 PolarHBondContact O-N 3.02Å; I183-F187 HydrophobicContact CG2-CD2 3.5Å; I183-F187 VanDerWaalsContact CG2-CD2 3.5Å; I183-F187 HydrophobicContact CG2-CE2 3.55Å; I183-F187 VanDerWaalsContact O-CD2 3.25Å; I183-F187 WeakPolarHBondContact O-CD2 3.41Å; I183-F187 PolarHBondContact O-N 3.41Å; I183-T243 HydrophobicContact CB-CG2 4.08Å; I183-T243 HydrophobicContact CD1-CG2 4.13Å; I183-T243 HydrophobicContact CG1-CG2 3.09Å; I183-R247 HydrophobicContact CD1-CB 4.24Å; I183-R247 HydrophobicContact CD1-CG 4.46Å
184G92.7Very high87.3Confident37 Ų3763.5 Ų63.538%0.38132%0.315SS..Hα-helixtrans-60.3-44.8-179.900000113.2M180 Q181 L186 F187 A188M180-G184 PolarHBondContact O-N 2.88Å; Q181-G184 PolarHBondContact O-N 3.43Å; Q181-G184 VanDerWaalsContact O-N 3.11Å; G184-L186 PolarHBondContact O-N 3.14Å; G184-F187 PolarHBondContact O-N 3.44Å; G184-A188 WeakPolarHBondContact O-CB 3.36Å; G184-A188 PolarHBondContact O-N 2.87Å
185E92.6Very high87.1Confident70 Ų7066.9 Ų66.933%0.32733%0.333SS..Hα-helixtrans-57-47.5175.3-74.5172.6-165.200111.3F155 Q181 K182 I183 A188 L189F155-E185 HydrophobicContact CD2-CB 4.18Å; F155-E185 HydrophobicContact CE2-CB 3.91Å; Q181-E185 WeakPolarHBondContact CG-OE1 3.44Å; Q181-E185 PolarHBondContact NE2-OE1 2.92Å; Q181-E185 WeakPolarHBondContact O-CG 3.43Å; Q181-E185 PolarHBondContact O-N 3.45Å; K182-E185 WeakPolarHBondContact CD-OE2 3.44Å; K182-E185 IonicContact NZ-OE1 2.88Å; K182-E185 IonicContact NZ-OE2 3.26Å; K182-E185 PolarHBondContact NZ-OE2 3.27Å; K182-E185 PolarHBondContact O-N 3.31Å; I183-E185 PolarHBondContact O-N 3.31Å; E185-A188 PolarHBondContact O-N 2.98Å; E185-L189 PolarHBondContact O-N 3.35Å
186L93.3Very high86.4Confident5 Ų566 Ų663%0.02633%0.327CS..Hα-helixtrans-65-41.9178.1-176.357.3000112.7F155 K182 I183 G184 L189 R190 L236 C239 M240F155-L186 HydrophobicContact CD1-CD1 3.98Å; F155-L186 HydrophobicContact CE1-CB 3.95Å; F155-L186 HydrophobicContact CE1-CD1 3.69Å; F155-L186 HydrophobicContact CE1-CD2 4.09Å; F155-L186 HydrophobicContact CE1-CG 4.12Å; F155-L186 HydrophobicContact CE2-CB 4.08Å; F155-L186 HydrophobicContact CZ-CB 3.6Å; F155-L186 HydrophobicContact CZ-CD1 4.25Å; F155-L186 HydrophobicContact CZ-CD2 4.3Å; F155-L186 HydrophobicContact CZ-CG 4.26Å; K182-L186 WeakPolarHBondContact O-CB 3.41Å; K182-L186 PolarHBondContact O-N 3.26Å; I183-L186 PolarHBondContact O-N 3.02Å; G184-L186 PolarHBondContact O-N 3.14Å; L186-L189 PolarHBondContact O-N 3.49Å; L186-R190 WeakPolarHBondContact O-CB 3.3Å; L186-R190 PolarHBondContact O-N 2.88Å; L186-L236 HydrophobicContact CD1-CD1 3.64Å; L186-C239 HydrophobicContact CD1-CB 3.81Å; L186-C239 HydrophobicContact CD2-CB 3.86Å; L186-M240 HydrophobicContact CD2-CB 4.35Å; L186-M240 HydrophobicContact CD2-CG 3.76Å; L186-M240 HydrophobicContact CG-CG 4.29Å
187F90.7Very high85.4Confident123 Ų12365.7 Ų65.754%0.53933%0.331SS..Hα-helixtrans-64.3-41.1176.4-90-71.1000111.8I183 G184 R190 H191I183-F187 HydrophobicContact CG2-CD2 3.5Å; I183-F187 VanDerWaalsContact CG2-CD2 3.5Å; I183-F187 HydrophobicContact CG2-CE2 3.55Å; I183-F187 VanDerWaalsContact O-CD2 3.25Å; I183-F187 WeakPolarHBondContact O-CD2 3.41Å; I183-F187 PolarHBondContact O-N 3.41Å; G184-F187 PolarHBondContact O-N 3.44Å; F187-R190 PolarHBondContact O-N 3.42Å; F187-H191 VanDerWaalsContact O-CB 3.23Å; F187-H191 WeakPolarHBondContact O-CB 3.27Å; F187-H191 PolarHBondContact O-N 3.23Å
188A90.1Very high84.3Confident49 Ų4964.2 Ų64.241%0.40533%0.328SS..Hα-helixtrans-62.7-44.8175.500000111.3G184 E185 H191 R192G184-A188 WeakPolarHBondContact O-CB 3.36Å; G184-A188 PolarHBondContact O-N 2.87Å; E185-A188 PolarHBondContact O-N 2.98Å; A188-H191 PolarHBondContact O-N 3.38Å; A188-R192 WeakPolarHBondContact O-CG 3.47Å; A188-R192 PolarHBondContact O-N 2.94Å
189L89.8Confident83.1Confident19 Ų1961.4 Ų61.410%0.09932%0.315CS..Hα-helixtrans-60.9-49.2175.9-179.262.4000111.6L152 F155 E185 L186 H191 R192 I193L152-L189 HydrophobicContact CB-CD2 4.02Å; L152-L189 HydrophobicContact CD1-CD2 3.79Å; F155-L189 HydrophobicContact CB-CD2 4.37Å; E185-L189 PolarHBondContact O-N 3.35Å; L186-L189 PolarHBondContact O-N 3.49Å; L189-H191 VanDerWaalsContact C-N 3.31Å; L189-H191 PolarHBondContact O-N 2.9Å; L189-R192 PolarHBondContact O-N 3.33Å; L189-I193 HydrophobicContact CD1-CD1 4.08Å; L189-I193 HydrophobicContact CD1-CG1 4.49Å; L189-I193 HydrophobicContact CG-CD1 3.98Å; L189-I193 WeakPolarHBondContact O-CG1 3.34Å; L189-I193 PolarHBondContact O-N 3.42Å
190R88.9Confident82.2Confident91 Ų9163.7 Ų63.734%0.34333%0.326SS..Hα-helixtrans-59.5-42.1176.4177169.5-177.7-158.80.6111.8L186 F187 I193 N194 L236 M240L186-R190 WeakPolarHBondContact O-CB 3.3Å; L186-R190 PolarHBondContact O-N 2.88Å; F187-R190 PolarHBondContact O-N 3.42Å; R190-I193 PolarHBondContact O-N 3.31Å; R190-N194 VanDerWaalsContact O-CB 3.25Å; R190-N194 WeakPolarHBondContact O-CB 3.32Å; R190-N194 VanDerWaalsContact O-CG 3.28Å; R190-N194 PolarHBondContact O-N 2.83Å; R190-L236 HydrophobicContact CB-CD1 4.29Å; R190-L236 HydrophobicContact CB-CD2 4.08Å; R190-L236 HydrophobicContact CG-CD2 3.94Å; R190-M240 WeakPolarHBondContact CD-SD 3.46Å; R190-M240 VanDerWaalsContact CZ-SD 3.58Å; R190-M240 PolarHBondContact NH1-SD 2.98Å
191H87Confident81.5Confident113 Ų11366.1 Ų66.152%0.52334%0.339SS..Hα-helixtrans-62.3-44.9178.9-177.958000111.5F187 A188 L189 N194 L195F187-H191 VanDerWaalsContact O-CB 3.23Å; F187-H191 WeakPolarHBondContact O-CB 3.27Å; F187-H191 PolarHBondContact O-N 3.23Å; A188-H191 PolarHBondContact O-N 3.38Å; L189-H191 VanDerWaalsContact C-N 3.31Å; L189-H191 PolarHBondContact O-N 2.9Å; H191-N194 PolarHBondContact O-N 3.15Å; H191-L195 WeakPolarHBondContact NE2-CD1 3.31Å; H191-L195 WeakPolarHBondContact O-CB 3.47Å; H191-L195 WeakPolarHBondContact O-CG 3.47Å; H191-L195 PolarHBondContact O-N 3.49Å
192R83.1Confident80.9Confident110 Ų11063.1 Ų63.142%0.41533%0.329SS..Hα-helixtrans-60.8-46.6176-72.3177.7179.6-178.8-4.2112.7D10 A188 L189 N194 S196D10-R192 IonicContact OD2-CZ 3.38Å; D10-R192 IonicContact OD2-NE 2.88Å; A188-R192 WeakPolarHBondContact O-CG 3.47Å; A188-R192 PolarHBondContact O-N 2.94Å; L189-R192 PolarHBondContact O-N 3.33Å; R192-N194 VanDerWaalsContact C-N 3.35Å; R192-N194 PolarHBondContact O-N 3.04Å; R192-S196 PolarHBondContact O-N 3.48Å; R192-S196 PolarHBondContact O-OG 2.84Å
193I83.1Confident80.4Confident3 Ų362.9 Ų62.92%0.01533%0.332CS..Hα-helixtrans-61.7-44.9177.1-66.6168.2000110.5W148 L189 R190 S196 S197 M232W148-I193 HydrophobicContact CB-CD1 4.39Å; W148-I193 HydrophobicContact CB-CG1 4.15Å; W148-I193 HydrophobicContact CD2-CG1 4.17Å; W148-I193 HydrophobicContact CG-CG1 4.01Å; L189-I193 HydrophobicContact CD1-CD1 4.08Å; L189-I193 HydrophobicContact CD1-CG1 4.49Å; L189-I193 HydrophobicContact CG-CD1 3.98Å; L189-I193 WeakPolarHBondContact O-CG1 3.34Å; L189-I193 PolarHBondContact O-N 3.42Å; R190-I193 PolarHBondContact O-N 3.31Å; I193-S196 CarbonylContact O-C 3.42Å; I193-S196 PolarHBondContact O-N 3.29Å; I193-S197 PolarHBondContact O-N 2.91Å; I193-M232 HydrophobicContact CD1-SD 4.13Å; I193-M232 HydrophobicContact CG2-CE 3.68Å
194N78.8Confident80.1Confident68 Ų6868.7 Ų68.736%0.36436%0.363SS..Hα-helixtrans-71.9-36.7-177.8-78-1.4000113.7R190 H191 R192 S196 S197R190-N194 VanDerWaalsContact O-CB 3.25Å; R190-N194 WeakPolarHBondContact O-CB 3.32Å; R190-N194 VanDerWaalsContact O-CG 3.28Å; R190-N194 PolarHBondContact O-N 2.83Å; H191-N194 PolarHBondContact O-N 3.15Å; R192-N194 VanDerWaalsContact C-N 3.35Å; R192-N194 PolarHBondContact O-N 3.04Å; N194-S196 PolarHBondContact O-N 2.69Å; N194-S196 VanDerWaalsContact O-N 3.15Å; N194-S197 WeakPolarHBondContact O-CB 2.87Å; N194-S197 PolarHBondContact O-N 3.1Å; N194-S197 PolarHBondContact O-OG 3.14Å
195L71.6Confident79.8Confident118 Ų11867.3 Ų67.362%0.61835%0.346SS*.Hα-helixtrans-59.6-24.5173.1-80.1177.2000112H191H191-L195 WeakPolarHBondContact NE2-CD1 3.31Å; H191-L195 WeakPolarHBondContact O-CB 3.47Å; H191-L195 WeakPolarHBondContact O-CG 3.47Å; H191-L195 PolarHBondContact O-N 3.49Å
196S68.1Low79.7Confident34 Ų3464 Ų6424%0.23833%0.331CS..THydrogen-bonded Turntrans-996.7178.8-460000112.2W148 R192 I193 N194 D198 F199W148-S196 WeakPolarHBondContact CZ2-OG 3.19Å; R192-S196 PolarHBondContact O-N 3.48Å; R192-S196 PolarHBondContact O-OG 2.84Å; I193-S196 CarbonylContact O-C 3.42Å; I193-S196 PolarHBondContact O-N 3.29Å; N194-S196 PolarHBondContact O-N 2.69Å; N194-S196 VanDerWaalsContact O-N 3.15Å; S196-D198 VanDerWaalsContact C-N 3.26Å; S196-D198 PolarHBondContact O-N 2.88Å; S196-F199 WeakPolarHBondContact O-CB 2.99Å; S196-F199 PolarHBondContact O-N 3.2Å; S196-F199 VanDerWaalsContact O-N 3.13Å
197S62.3Low79.5Confident48 Ų4873.9 Ų73.934%0.33637%0.368SS..G310 helixtrans-68.6-27.2-177.366.10000113.1I193 N194 F199 L200I193-S197 PolarHBondContact O-N 2.91Å; N194-S197 WeakPolarHBondContact O-CB 2.87Å; N194-S197 PolarHBondContact O-N 3.1Å; N194-S197 PolarHBondContact O-OG 3.14Å; S197-F199 PolarHBondContact O-N 3.37Å; S197-L200 WeakPolarHBondContact O-CB 3.33Å; S197-L200 PolarHBondContact O-N 3.26Å
198D63.7Low79.3Confident127 Ų12774.7 Ų74.768%0.67938%0.378SS*.G310 helixtrans-60.4-25.3174.6-67-7.8000111.2S196 L200S196-D198 VanDerWaalsContact C-N 3.26Å; S196-D198 PolarHBondContact O-N 2.88Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 3.13Å
199F61.9Low79.4Confident25 Ų2575.3 Ų75.311%0.1137%0.37CS..G310 helixtrans-71.8-23.6175.2-167.5-133.4000113.1E61 N137 C140 L141 S196 S197 I201E61-F199 HydrophobicContact CG-CD2 4.37Å; N137-F199 WeakPolarHBondContact OD1-CE2 3.37Å; C140-F199 HydrophobicContact CB-CZ 3.93Å; C140-F199 WeakPolarHBondContact SG-CZ 3.27Å; L141-F199 HydrophobicContact CB-CE1 4.05Å; L141-F199 HydrophobicContact CB-CZ 4.4Å; L141-F199 HydrophobicContact CD1-CZ 4.48Å; L141-F199 HydrophobicContact CD2-CB 4.41Å; L141-F199 HydrophobicContact CD2-CD1 3.07Å; L141-F199 HydrophobicContact CD2-CD2 4.31Å; L141-F199 HydrophobicContact CD2-CE1 3.13Å; L141-F199 HydrophobicContact CD2-CE2 4.33Å; L141-F199 HydrophobicContact CD2-CG 3.69Å; L141-F199 HydrophobicContact CD2-CZ 3.76Å; L141-F199 WeakPolarHBondContact CD2-O 3.36Å; L141-F199 HydrophobicContact CG-CD1 3.82Å; L141-F199 HydrophobicContact CG-CE1 3.32Å; L141-F199 HydrophobicContact CG-CE2 4.22Å; L141-F199 HydrophobicContact CG-CG 4.44Å; L141-F199 HydrophobicContact CG-CZ 3.5Å; S196-F199 WeakPolarHBondContact O-CB 2.99Å; S196-F199 PolarHBondContact O-N 3.2Å; S196-F199 VanDerWaalsContact O-N 3.13Å; S197-F199 PolarHBondContact O-N 3.37Å; F199-I201 VanDerWaalsContact C-N 3.26Å; F199-I201 PolarHBondContact O-N 2.97Å
200L66.3Low79.5Confident52 Ų5281.9 Ų81.927%0.27240%0.4SS..G310 helixtrans-81.2-7.5-178.2-57.9177.4000113L141 S197 D198 V229L141-L200 HydrophobicContact CD2-CD2 3.8Å; S197-L200 WeakPolarHBondContact O-CB 3.33Å; S197-L200 PolarHBondContact O-N 3.26Å; D198-L200 VanDerWaalsContact C-N 3.31Å; D198-L200 PolarHBondContact O-N 3.13Å; L200-V229 HydrophobicContact CD1-CG1 3.82Å; L200-V229 HydrophobicContact CD1-CG2 3.98Å; L200-V229 HydrophobicContact CD2-CG2 3.72Å; L200-V229 HydrophobicContact CG-CG2 4.43Å
201I74.8Confident79.7Confident116 Ų11683.8 Ų83.860%0.59542%0.417SS*.SBendtrans-92.4144.3174.4-56.4175.6000108F199 P203F199-I201 VanDerWaalsContact C-N 3.26Å; F199-I201 PolarHBondContact O-N 2.97Å; I201-P203 WeakPolarHBondContact O-CD 3.39Å; I201-P203 VanDerWaalsContact O-N 3.14Å
202T77.9Confident80Confident53 Ų5379.2 Ų79.233%0.32540%0.396SS..PPolyproline II helixtrans-53.8120.1172.9-56.40000109.7Y206 E213 Y216T202-Y206 HydrophobicContact CG2-CD2 3.85Å; T202-Y206 HydrophobicContact CG2-CG 4.4Å; T202-E213 HydrophobicContact CG2-CG 4.27Å; T202-Y216 HydrophobicContact CG2-CE1 4.31Å
203P81.3Confident80.6Confident36 Ų3677 Ų7723%0.23439%0.391CS..PPolyproline II helixtrans-61.1143.3-178.7-27.234.6000113.4I201 F205 Y206I201-P203 WeakPolarHBondContact O-CD 3.39Å; I201-P203 VanDerWaalsContact O-N 3.14Å; P203-F205 HydrophobicContact CB-CB 4.4Å; P203-F205 PolarHBondContact O-N 2.88Å; P203-Y206 HydrophobicContact CB-CD2 4.09Å; P203-Y206 HydrophobicContact CB-CE2 4.19Å; P203-Y206 HydrophobicContact CG-CD2 4.22Å; P203-Y206 HydrophobicContact CG-CE2 3.94Å; P203-Y206 WeakPolarHBondContact O-CD2 3.3Å; P203-Y206 PolarHBondContact O-N 2.8Å
204D84Confident81.1Confident145 Ų14578 Ų7878%0.77540%0.403SS*.G310 helixtrans-54.8-25.5176.5-70-9.1000113.3Y206 W207D204-Y206 PolarHBondContact O-N 3.24Å; D204-W207 VanDerWaalsContact O-CB 3.26Å; D204-W207 WeakPolarHBondContact O-CB 3.42Å; D204-W207 PolarHBondContact O-N 2.8Å
205F87.6Confident82Confident8 Ų875.2 Ų75.24%0.03539%0.387CS..G310 helixtrans-49.9-29.6171.8171.1-93.9000113.1P33 A36 L130 F133 P203 R209 L212P33-F205 HydrophobicContact CB-CE2 4.42Å; P33-F205 HydrophobicContact CG-CE2 4.31Å; A36-F205 HydrophobicContact CB-CD2 3.86Å; A36-F205 HydrophobicContact CB-CE2 3.85Å; L130-F205 HydrophobicContact CD2-CE2 4.35Å; L130-F205 HydrophobicContact CD2-CZ 3.89Å; F133-F205 HydrophobicContact CD1-CD1 4.2Å; F133-F205 AromaticContact CD1-CE1 3.6Å; F133-F205 HydrophobicContact CD1-CE1 3.6Å; F133-F205 AromaticContact CD1-CZ 3.95Å; F133-F205 HydrophobicContact CD1-CZ 3.95Å; F133-F205 AromaticContact CE1-CD1 3.52Å; F133-F205 HydrophobicContact CE1-CD1 3.52Å; F133-F205 AromaticContact CE1-CE1 3.4Å; F133-F205 HydrophobicContact CE1-CE1 3.4Å; F133-F205 VanDerWaalsContact CE1-CE1 3.4Å; F133-F205 HydrophobicContact CE1-CG 4.14Å; F133-F205 AromaticContact CE1-CZ 3.94Å; F133-F205 HydrophobicContact CE1-CZ 3.94Å; F133-F205 HydrophobicContact CZ-CD1 4.42Å; P203-F205 HydrophobicContact CB-CB 4.4Å; P203-F205 PolarHBondContact O-N 2.88Å; F205-R209 PolarHBondContact O-NH1 2.82Å; F205-L212 HydrophobicContact CE1-CD1 3.84Å; F205-L212 HydrophobicContact CZ-CD1 3.95Å
206Y90.4Very high83.1Confident1 Ų169.9 Ų69.90%0.00436%0.359CS..G310 helixtrans-86.4-9.7-178.6-63.4-66.4000114.4A134 N137 T202 P203 D204 D208 R209 L212 E213 Y216A134-Y206 WeakPolarHBondContact CA-OH 3.5Å; A134-Y206 HydrophobicContact CB-CE1 4.14Å; N137-Y206 PolarHBondContact ND2-OH 2.83Å; T202-Y206 HydrophobicContact CG2-CD2 3.85Å; T202-Y206 HydrophobicContact CG2-CG 4.4Å; P203-Y206 HydrophobicContact CB-CD2 4.09Å; P203-Y206 HydrophobicContact CB-CE2 4.19Å; P203-Y206 HydrophobicContact CG-CD2 4.22Å; P203-Y206 HydrophobicContact CG-CE2 3.94Å; P203-Y206 WeakPolarHBondContact O-CD2 3.3Å; P203-Y206 PolarHBondContact O-N 2.8Å; D204-Y206 PolarHBondContact O-N 3.24Å; Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 PolarHBondContact O-N 2.83Å; Y206-D208 VanDerWaalsContact O-N 3.16Å; Y206-R209 CarbonylContact O-C 3.52Å; Y206-R209 PolarHBondContact O-N 3.47Å; Y206-L212 HydrophobicContact CD1-CB 3.82Å; Y206-L212 HydrophobicContact CE1-CB 3.85Å; Y206-E213 HydrophobicContact CD1-CB 4.39Å; Y206-E213 HydrophobicContact CG-CB 4.36Å; Y206-Y216 HydrophobicContact CD2-CD1 4.47Å; Y206-Y216 HydrophobicContact CE2-CD1 4.04Å; Y206-Y216 AromaticContact CE2-CD2 3.96Å; Y206-Y216 HydrophobicContact CE2-CD2 3.96Å; Y206-Y216 HydrophobicContact CE2-CE1 4.39Å; Y206-Y216 HydrophobicContact CE2-CE2 4.32Å; Y206-Y216 AromaticContact CE2-CG 3.79Å; Y206-Y216 HydrophobicContact CE2-CG 3.79Å; Y206-Y216 AromaticContact CZ-CD2 3.92Å; Y206-Y216 AromaticContact CZ-CG 3.79Å; Y206-Y216 WeakPolarHBondContact OH-CD2 3.48Å
207W87.9Confident84.3Confident212 Ų21271.7 Ų71.780%0.80337%0.366SS*.THydrogen-bonded Turntrans-54.6-41-169.7-173.8-92.3000114.1D204D204-W207 VanDerWaalsContact O-CB 3.26Å; D204-W207 WeakPolarHBondContact O-CB 3.42Å; D204-W207 PolarHBondContact O-N 2.8Å
208D87.1Confident85.9Confident140 Ų14074.8 Ų74.875%0.74937%0.373SS*.THydrogen-bonded Turntrans-102.112.9178.4-62.7-43.4000112.8Y206Y206-D208 VanDerWaalsContact C-N 3.3Å; Y206-D208 PolarHBondContact O-N 2.83Å; Y206-D208 VanDerWaalsContact O-N 3.16Å
209R92.3Very high87.5Confident62 Ų6268.7 Ų68.723%0.23434%0.341CS..  trans-133.459.4-168.5-57.1-175.8-17785.4-7.6112.2D35 F205 Y206 N211 L212 E213D35-R209 IonicContact OD1-NH2 3.09Å; D35-R209 PolarHBondContact OD1-NH2 2.88Å; D35-R209 IonicContact OD2-CZ 3.34Å; D35-R209 VanDerWaalsContact OD2-CZ 3.26Å; D35-R209 IonicContact OD2-NH1 3.35Å; D35-R209 PolarHBondContact OD2-NH1 2.88Å; D35-R209 IonicContact OD2-NH2 2.75Å; D35-R209 PolarHBondContact OD2-NH2 3.06Å; F205-R209 PolarHBondContact O-NH1 2.82Å; Y206-R209 CarbonylContact O-C 3.52Å; Y206-R209 PolarHBondContact O-N 3.47Å; R209-N211 PolarHBondContact O-N 2.86Å; R209-N211 VanDerWaalsContact O-N 3.09Å; R209-L212 HydrophobicContact CB-CB 4.27Å; R209-L212 HydrophobicContact CB-CD1 4.07Å; R209-L212 HydrophobicContact CB-CG 4.28Å; R209-L212 HydrophobicContact CG-CD1 4.45Å; R209-L212 PolarHBondContact O-N 2.83Å; R209-E213 PolarHBondContact O-N 2.8Å
210E91.4Very high89Confident157 Ų15768.4 Ų68.473%0.73434%0.342SS*.Hα-helixtrans-50.6-37.4-177.3-65.6-174.917700113.9L212 E213 G214E210-L212 PolarHBondContact O-N 3.06Å; E210-E213 PolarHBondContact O-N 3.14Å; E210-G214 PolarHBondContact O-N 2.95Å
211N92.4Very high90.4Very high131 Ų13173.2 Ų73.270%0.70136%0.363SS*.Hα-helixtrans-62.3-43.1177.9-73.1-28.1000112R209 L215R209-N211 PolarHBondContact O-N 2.86Å; R209-N211 VanDerWaalsContact O-N 3.09Å; N211-L215 WeakPolarHBondContact O-CG 3.48Å; N211-L215 PolarHBondContact O-N 3.44Å
212L94.6Very high91.4Very high17 Ų1772.2 Ų72.29%0.08935%0.354CS..Hα-helixtrans-74.2-38.6179.6-59-178.8000111L130 E131 A134 F205 Y206 R209 E210 G214 L215 Y216L130-L212 HydrophobicContact CB-CD1 3.89Å; L130-L212 HydrophobicContact CB-CD2 4.2Å; E131-L212 HydrophobicContact CG-CD2 3.91Å; A134-L212 HydrophobicContact CB-CB 4.31Å; F205-L212 HydrophobicContact CE1-CD1 3.84Å; F205-L212 HydrophobicContact CZ-CD1 3.95Å; Y206-L212 HydrophobicContact CD1-CB 3.82Å; Y206-L212 HydrophobicContact CE1-CB 3.85Å; R209-L212 HydrophobicContact CB-CB 4.27Å; R209-L212 HydrophobicContact CB-CD1 4.07Å; R209-L212 HydrophobicContact CB-CG 4.28Å; R209-L212 HydrophobicContact CG-CD1 4.45Å; R209-L212 PolarHBondContact O-N 2.83Å; E210-L212 PolarHBondContact O-N 3.06Å; L212-G214 VanDerWaalsContact C-N 3.28Å; L212-G214 PolarHBondContact O-N 3.17Å; L212-L215 HydrophobicContact CD2-CD1 4.44Å; L212-L215 PolarHBondContact O-N 3.41Å; L212-L215 VanDerWaalsContact O-N 3.12Å; L212-Y216 PolarHBondContact O-N 3.45Å
213E94.4Very high92.3Very high63 Ų6370.4 Ų70.429%0.29434%0.342SS..Hα-helixtrans-55.3-47.2172.6-165.2179.1-165.200110.4T202 Y206 R209 E210 L215 Y216 D217T202-E213 HydrophobicContact CG2-CG 4.27Å; Y206-E213 HydrophobicContact CD1-CB 4.39Å; Y206-E213 HydrophobicContact CG-CB 4.36Å; R209-E213 PolarHBondContact O-N 2.8Å; E210-E213 PolarHBondContact O-N 3.14Å; E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.3Å; E213-Y216 PolarHBondContact O-N 2.82Å; E213-Y216 VanDerWaalsContact O-N 3.16Å; E213-D217 WeakPolarHBondContact O-CB 3.02Å; E213-D217 PolarHBondContact O-N 3.07Å
214G94.9Very high93Very high26 Ų2671.3 Ų71.327%0.26835%0.35SS..Hα-helixtrans-61.9-3017800000114.2E210 L212 K218E210-G214 PolarHBondContact O-N 2.95Å; L212-G214 VanDerWaalsContact C-N 3.28Å; L212-G214 PolarHBondContact O-N 3.17Å; G214-K218 WeakPolarHBondContact O-CB 3.46Å; G214-K218 WeakPolarHBondContact O-CD 3.27Å; G214-K218 WeakPolarHBondContact O-CG 3.48Å; G214-K218 PolarHBondContact O-N 2.98Å
215L96.4Very high93.4Very high8 Ų864.9 Ų64.94%0.04232%0.315CS..Hα-helixtrans-74.5-45.6173.4-63.1175.2000111.2S110 E131 A134 F135 N211 L212 E213 T219S110-L215 WeakPolarHBondContact O-CD2 3.31Å; E131-L215 HydrophobicContact CB-CD1 4.02Å; E131-L215 HydrophobicContact CG-CD1 3.78Å; A134-L215 HydrophobicContact CB-CB 4.15Å; F135-L215 HydrophobicContact CE1-CB 4.41Å; F135-L215 HydrophobicContact CE2-CB 4.48Å; F135-L215 HydrophobicContact CE2-CD1 4.13Å; F135-L215 HydrophobicContact CE2-CD2 4.32Å; F135-L215 HydrophobicContact CZ-CB 4.17Å; F135-L215 HydrophobicContact CZ-CD1 4.4Å; F135-L215 HydrophobicContact CZ-CD2 3.8Å; F135-L215 HydrophobicContact CZ-CG 4.34Å; N211-L215 WeakPolarHBondContact O-CG 3.48Å; N211-L215 PolarHBondContact O-N 3.44Å; L212-L215 HydrophobicContact CD2-CD1 4.44Å; L212-L215 PolarHBondContact O-N 3.41Å; L212-L215 VanDerWaalsContact O-N 3.12Å; E213-L215 VanDerWaalsContact C-N 3.27Å; E213-L215 PolarHBondContact O-N 3.3Å; L215-T219 WeakPolarHBondContact O-CB 3.33Å; L215-T219 PolarHBondContact O-N 3.47Å; L215-T219 VanDerWaalsContact O-N 3.1Å; L215-T219 PolarHBondContact O-OG1 3.24Å
216Y95.2Very high93.6Very high7 Ų767.2 Ų67.23%0.02734%0.342CS..Hα-helixtrans-59.2-52.9177.1170.9-99.1000111.2N137 A138 L141 T202 Y206 L212 E213 K218 T219 C220N137-Y216 HydrophobicContact CB-CD2 4.16Å; N137-Y216 HydrophobicContact CB-CE2 4.22Å; A138-Y216 HydrophobicContact CB-CD2 3.89Å; A138-Y216 HydrophobicContact CB-CE2 4.15Å; L141-Y216 HydrophobicContact CD1-CE2 3.85Å; L141-Y216 WeakPolarHBondContact CD1-OH 3.37Å; T202-Y216 HydrophobicContact CG2-CE1 4.31Å; Y206-Y216 HydrophobicContact CD2-CD1 4.47Å; Y206-Y216 HydrophobicContact CE2-CD1 4.04Å; Y206-Y216 AromaticContact CE2-CD2 3.96Å; Y206-Y216 HydrophobicContact CE2-CD2 3.96Å; Y206-Y216 HydrophobicContact CE2-CE1 4.39Å; Y206-Y216 HydrophobicContact CE2-CE2 4.32Å; Y206-Y216 AromaticContact CE2-CG 3.79Å; Y206-Y216 HydrophobicContact CE2-CG 3.79Å; Y206-Y216 AromaticContact CZ-CD2 3.92Å; Y206-Y216 AromaticContact CZ-CG 3.79Å; Y206-Y216 WeakPolarHBondContact OH-CD2 3.48Å; L212-Y216 PolarHBondContact O-N 3.45Å; E213-Y216 PolarHBondContact O-N 2.82Å; E213-Y216 VanDerWaalsContact O-N 3.16Å; Y216-K218 PolarHBondContact O-N 3.3Å; Y216-T219 CarbonylContact O-C 3.51Å; Y216-T219 WeakPolarHBondContact O-CA 3.48Å; Y216-T219 WeakPolarHBondContact O-CB 3.48Å; Y216-T219 PolarHBondContact O-N 2.95Å; Y216-C220 PolarHBondContact O-N 2.83Å; Y216-C220 PolarHBondContact O-SG 3.32Å
217D94.1Very high93.8Very high71 Ų7176.3 Ų76.338%0.3838%0.376SS..Hα-helixtrans-61.7-43.8-178.2-79.9-7.8000112.7E213 T219 C220 Q221E213-D217 WeakPolarHBondContact O-CB 3.02Å; E213-D217 PolarHBondContact O-N 3.07Å; D217-T219 PolarHBondContact O-N 3.49Å; D217-C220 PolarHBondContact O-N 3.13Å; D217-Q221 WeakPolarHBondContact O-CB 3.45Å; D217-Q221 PolarHBondContact O-N 3.49Å
218K95.6Very high94.1Very high113 Ų11368.2 Ų68.249%0.49135%0.345SS..Hα-helixtrans-62.1-34.5175.4-77175.4-173.9164.60111.8G214 Y216 F222G214-K218 WeakPolarHBondContact O-CB 3.46Å; G214-K218 WeakPolarHBondContact O-CD 3.27Å; G214-K218 WeakPolarHBondContact O-CG 3.48Å; G214-K218 PolarHBondContact O-N 2.98Å; Y216-K218 PolarHBondContact O-N 3.3Å; K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 2.94Å
219T96.4Very high94.3Very high0 Ų062.6 Ų62.60%032%0.316CS..Hα-helixtrans-73-45.1177.6-52.90000110.8L112 F135 A138 L215 Y216 D217 Q221 F222 L223L112-T219 HydrophobicContact CD2-CG2 4.27Å; F135-T219 HydrophobicContact CD1-CG2 4.29Å; F135-T219 WeakPolarHBondContact CD1-OG1 3.28Å; F135-T219 WeakPolarHBondContact CE1-OG1 3.35Å; A138-T219 HydrophobicContact CB-CG2 3.49Å; A138-T219 VanDerWaalsContact CB-CG2 3.49Å; L215-T219 WeakPolarHBondContact O-CB 3.33Å; L215-T219 PolarHBondContact O-N 3.47Å; L215-T219 VanDerWaalsContact O-N 3.1Å; L215-T219 PolarHBondContact O-OG1 3.24Å; Y216-T219 CarbonylContact O-C 3.51Å; Y216-T219 WeakPolarHBondContact O-CA 3.48Å; Y216-T219 WeakPolarHBondContact O-CB 3.48Å; Y216-T219 PolarHBondContact O-N 2.95Å; D217-T219 PolarHBondContact O-N 3.49Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.41Å; T219-F222 PolarHBondContact O-N 3.33Å; T219-L223 HydrophobicContact CG2-CD1 3.85Å; T219-L223 HydrophobicContact CG2-CG 4.48Å; T219-L223 WeakPolarHBondContact O-CB 3.42Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 3.48Å
220C94.8Very high94.3Very high18 Ų1865.9 Ų65.912%0.12233%0.332CS..Hα-helixtrans-57.6-39.7172.2-73.50000112.3Y216 D217 S224 I225Y216-C220 PolarHBondContact O-N 2.83Å; Y216-C220 PolarHBondContact O-SG 3.32Å; D217-C220 PolarHBondContact O-N 3.13Å; C220-S224 PolarHBondContact O-N 3.08Å; C220-S224 VanDerWaalsContact O-N 3.1Å; C220-I225 HydrophobicContact CB-CB 4.37Å; C220-I225 HydrophobicContact CB-CG1 4.19Å; C220-I225 PolarHBondContact O-N 2.75Å
221Q95.2Very high94.5Very high153 Ų15361 Ų6172%0.71531%0.313SS*.Hα-helixtrans-65.8-46.3175.2-173.8-179.23700111.6D217 T219 L223 S224D217-Q221 WeakPolarHBondContact O-CB 3.45Å; D217-Q221 PolarHBondContact O-N 3.49Å; T219-Q221 VanDerWaalsContact C-N 3.28Å; T219-Q221 PolarHBondContact O-N 3.41Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 2.78Å; Q221-S224 PolarHBondContact O-N 2.8Å; Q221-S224 VanDerWaalsContact O-N 3.09Å
222F96.4Very high94.5Very high95 Ų9554.9 Ų54.942%0.41728%0.28SS..Hα-helixtrans-60.4-44177.9176.3-98.5000111.9L101 L112 K218 T219 S224L101-F222 HydrophobicContact CD2-CE1 4.01Å; L112-F222 HydrophobicContact CD2-CB 3.4Å; L112-F222 HydrophobicContact CD2-CD1 3.85Å; L112-F222 HydrophobicContact CD2-CD2 4.34Å; L112-F222 HydrophobicContact CD2-CG 3.6Å; L112-F222 HydrophobicContact CG-CG 4.45Å; K218-F222 WeakPolarHBondContact O-CB 3.41Å; K218-F222 PolarHBondContact O-N 2.94Å; T219-F222 PolarHBondContact O-N 3.33Å; F222-S224 PolarHBondContact O-N 3.09Å
223L95.6Very high94.3Very high15 Ų1557.3 Ų57.38%0.07929%0.293CS..THydrogen-bonded Turntrans-77.71.6177.6-61.7170.2000113.1L139 T219 Q221 I225 R228L139-L223 HydrophobicContact CD2-CD1 3.98Å; T219-L223 HydrophobicContact CG2-CD1 3.85Å; T219-L223 HydrophobicContact CG2-CG 4.48Å; T219-L223 WeakPolarHBondContact O-CB 3.42Å; T219-L223 WeakPolarHBondContact O-CG 3.49Å; T219-L223 PolarHBondContact O-N 3.48Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 2.78Å; L223-I225 HydrophobicContact CB-CD1 3.84Å; L223-I225 HydrophobicContact CB-CG1 3.98Å; L223-I225 PolarHBondContact O-N 2.8Å; L223-R228 WeakPolarHBondContact O-CD 3.39Å
224S95.6Very high94.3Very high55 Ų5558.7 Ų58.739%0.38530%0.299SS..THydrogen-bonded Turntrans55.231.5178.7-61.90000114.3C220 Q221 F222 G226 R227 R228C220-S224 PolarHBondContact O-N 3.08Å; C220-S224 VanDerWaalsContact O-N 3.1Å; Q221-S224 PolarHBondContact O-N 2.8Å; Q221-S224 VanDerWaalsContact O-N 3.09Å; F222-S224 PolarHBondContact O-N 3.09Å; S224-G226 PolarHBondContact O-N 3.35Å; S224-R227 PolarHBondContact O-N 2.88Å; S224-R227 VanDerWaalsContact O-N 3.14Å; S224-R228 WeakPolarHBondContact O-CG 2.86Å; S224-R228 PolarHBondContact O-N 2.92Å
225I93.5Very high94.2Very high11 Ų1160.7 Ų60.76%0.05630%0.301CS..Hα-helixtrans-54.2-51.7-172.9-59.7-58.4000111.2L141 L145 C220 L223 R227 R228 V229L141-I225 HydrophobicContact CB-CD1 4.36Å; L145-I225 HydrophobicContact CD2-CD1 4.43Å; L145-I225 HydrophobicContact CD2-CG2 4.38Å; C220-I225 HydrophobicContact CB-CB 4.37Å; C220-I225 HydrophobicContact CB-CG1 4.19Å; C220-I225 PolarHBondContact O-N 2.75Å; L223-I225 HydrophobicContact CB-CD1 3.84Å; L223-I225 HydrophobicContact CB-CG1 3.98Å; L223-I225 PolarHBondContact O-N 2.8Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 2.97Å; I225-R228 PolarHBondContact O-N 3.09Å; I225-R228 VanDerWaalsContact O-N 3.17Å; I225-V229 HydrophobicContact CG2-CG2 4.21Å; I225-V229 WeakPolarHBondContact O-CB 3.26Å; I225-V229 VanDerWaalsContact O-CG2 3.3Å; I225-V229 WeakPolarHBondContact O-CG2 2.93Å; I225-V229 PolarHBondContact O-N 2.91Å
226G91.7Very high94.1Very high57 Ų5760.5 Ų60.559%0.58830%0.3SS*.Hα-helixtrans-60.6-37.7-178.700000113.9S224 K230S224-G226 PolarHBondContact O-N 3.35Å; G226-K230 WeakPolarHBondContact O-CB 3.35Å; G226-K230 PolarHBondContact O-N 3.48Å; G226-K230 VanDerWaalsContact O-N 3.15Å
227R94.3Very high93.9Very high191 Ų19164.3 Ų64.372%0.72132%0.318SS*.Hα-helixtrans-68.6-45175.9179.5-177.4173.8-171.7-2.1111S224 I225 K230 V231S224-R227 PolarHBondContact O-N 2.88Å; S224-R227 VanDerWaalsContact O-N 3.14Å; I225-R227 VanDerWaalsContact C-N 3.32Å; I225-R227 PolarHBondContact O-N 2.97Å; R227-K230 WeakPolarHBondContact O-CB 3.44Å; R227-K230 PolarHBondContact O-N 3.35Å; R227-V231 WeakPolarHBondContact O-CG2 3.48Å; R227-V231 PolarHBondContact O-N 3.44Å
228R94.8Very high93.8Very high43 Ų4366.6 Ų66.616%0.16233%0.326CS..Hα-helixtrans-61.5-47.5179.9-75.8173.164.2-164.4-0.5111.4S142 L145 E149 L223 S224 I225 K230 V231 M232S142-R228 PolarHBondContact O-NH2 2.94Å; S142-R228 VanDerWaalsContact O-NH2 3.09Å; S142-R228 PolarHBondContact OG-NH1 3.48Å; L145-R228 HydrophobicContact CD2-CB 3.43Å; L145-R228 VanDerWaalsContact CD2-CB 3.43Å; L145-R228 HydrophobicContact CG-CB 4.3Å; E149-R228 WeakPolarHBondContact OE1-CB 3.42Å; E149-R228 IonicContact OE1-NE 3.29Å; E149-R228 PolarHBondContact OE1-NE 3.49Å; E149-R228 IonicContact OE2-CZ 3.71Å; E149-R228 IonicContact OE2-NE 3.66Å; E149-R228 PolarHBondContact OE2-NE 2.8Å; E149-R228 VanDerWaalsContact OE2-NE 3.09Å; E149-R228 IonicContact OE2-NH2 3.6Å; E149-R228 PolarHBondContact OE2-NH2 3.16Å; L223-R228 WeakPolarHBondContact O-CD 3.39Å; S224-R228 WeakPolarHBondContact O-CG 2.86Å; S224-R228 PolarHBondContact O-N 2.92Å; I225-R228 PolarHBondContact O-N 3.09Å; I225-R228 VanDerWaalsContact O-N 3.17Å; R228-K230 VanDerWaalsContact C-N 3.31Å; R228-K230 PolarHBondContact O-N 2.81Å; R228-V231 PolarHBondContact O-N 3.19Å; R228-M232 WeakPolarHBondContact O-CB 3.36Å; R228-M232 PolarHBondContact O-N 2.65Å
229V91.6Very high93.7Very high22 Ų2261.5 Ų61.513%0.13330%0.304CS..Hα-helixtrans-54.6-46.5172.9169.10000111.4L145 L200 I225 M232 N233L145-V229 HydrophobicContact CD1-CG2 4.14Å; L145-V229 HydrophobicContact CD2-CG2 3.84Å; L200-V229 HydrophobicContact CD1-CG1 3.82Å; L200-V229 HydrophobicContact CD1-CG2 3.98Å; L200-V229 HydrophobicContact CD2-CG2 3.72Å; L200-V229 HydrophobicContact CG-CG2 4.43Å; I225-V229 HydrophobicContact CG2-CG2 4.21Å; I225-V229 WeakPolarHBondContact O-CB 3.26Å; I225-V229 VanDerWaalsContact O-CG2 3.3Å; I225-V229 WeakPolarHBondContact O-CG2 2.93Å; I225-V229 PolarHBondContact O-N 2.91Å; V229-M232 PolarHBondContact O-N 3.5Å; V229-N233 WeakPolarHBondContact O-CB 3.43Å; V229-N233 PolarHBondContact O-N 2.87Å; V229-N233 PolarHBondContact O-ND2 3.3Å
230K91.6Very high93.4Very high131 Ų13162.7 Ų62.757%0.5731%0.311SS*.Hα-helixtrans-60.1-48.9178.3-178178.8173.7179.80111.9G226 R227 R228 M232 N233 E234G226-K230 WeakPolarHBondContact O-CB 3.35Å; G226-K230 PolarHBondContact O-N 3.48Å; G226-K230 VanDerWaalsContact O-N 3.15Å; R227-K230 WeakPolarHBondContact O-CB 3.44Å; R227-K230 PolarHBondContact O-N 3.35Å; R228-K230 VanDerWaalsContact C-N 3.31Å; R228-K230 PolarHBondContact O-N 2.81Å; K230-M232 PolarHBondContact O-N 3.08Å; K230-N233 PolarHBondContact O-N 3.43Å; K230-E234 WeakPolarHBondContact CE-OE1 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 3.07Å
231V94.8Very high93.2Very high55 Ų5566.3 Ų66.333%0.33333%0.326SS..Hα-helixtrans-63-42.6179.51720000111.3R227 R228 E234 K235R227-V231 WeakPolarHBondContact O-CG2 3.48Å; R227-V231 PolarHBondContact O-N 3.44Å; R228-V231 PolarHBondContact O-N 3.19Å; V231-E234 PolarHBondContact O-N 3.01Å; V231-K235 HydrophobicContact CG1-CD 4.41Å; V231-K235 WeakPolarHBondContact O-CG 3.36Å; V231-K235 PolarHBondContact O-N 2.99Å
232M92.6Very high92.9Very high2 Ų260.5 Ų60.51%0.0130%0.299CS..Hα-helixtrans-60.8-44.9176.5-175.7-175.364.300111.3L145 W148 E149 L152 I193 R228 V229 K230 E234 K235 L236L145-M232 HydrophobicContact CD1-CE 3.57Å; L145-M232 HydrophobicContact CD1-SD 3.63Å; W148-M232 HydrophobicContact CB-SD 3.77Å; W148-M232 HydrophobicContact CE3-CE 4.22Å; W148-M232 HydrophobicContact CE3-SD 4.47Å; E149-M232 HydrophobicContact CG-SD 4.4Å; L152-M232 HydrophobicContact CD2-CG 3.77Å; L152-M232 WeakPolarHBondContact CD2-O 3.38Å; I193-M232 HydrophobicContact CD1-SD 4.13Å; I193-M232 HydrophobicContact CG2-CE 3.68Å; R228-M232 WeakPolarHBondContact O-CB 3.36Å; R228-M232 PolarHBondContact O-N 2.65Å; V229-M232 PolarHBondContact O-N 3.5Å; K230-M232 PolarHBondContact O-N 3.08Å; M232-E234 PolarHBondContact O-N 2.8Å; M232-K235 PolarHBondContact O-N 3.48Å; M232-L236 WeakPolarHBondContact O-CB 3.3Å; M232-L236 PolarHBondContact O-N 3.4Å
233N90.9Very high92.5Very high68 Ų6856.2 Ų56.236%0.36428%0.281SS..Hα-helixtrans-63.7-39.8176.9-78.6-35.2000112.6V229 K230 L236 Q237V229-N233 WeakPolarHBondContact O-CB 3.43Å; V229-N233 PolarHBondContact O-N 2.87Å; V229-N233 PolarHBondContact O-ND2 3.3Å; K230-N233 PolarHBondContact O-N 3.43Å; N233-L236 PolarHBondContact O-N 2.88Å; N233-Q237 WeakPolarHBondContact O-CB 3.38Å; N233-Q237 PolarHBondContact O-N 3.29Å
234E93.8Very high92.1Very high91 Ų9159.3 Ų59.343%0.42530%0.298SS..Hα-helixtrans-62.6-46.5173.7-73.1172.2-177.200111.5K230 V231 M232 L236 Q237 H238K230-E234 WeakPolarHBondContact CE-OE1 3.21Å; K230-E234 WeakPolarHBondContact O-CG 3.28Å; K230-E234 PolarHBondContact O-N 3.07Å; V231-E234 PolarHBondContact O-N 3.01Å; M232-E234 PolarHBondContact O-N 2.8Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.33Å; E234-Q237 PolarHBondContact O-N 3.15Å; E234-H238 PolarHBondContact O-N 2.72Å
235K94.3Very high91.6Very high69 Ų6962.1 Ų62.130%0.331%0.308SS..Hα-helixtrans-58.9-44.5175-77.4-179.1177.1-173.40111.9L152 D153 I156 V231 M232 Q237 H238 C239L152-K235 HydrophobicContact CD2-CB 3.6Å; L152-K235 HydrophobicContact CD2-CD 4.32Å; L152-K235 HydrophobicContact CG-CB 4.38Å; D153-K235 IonicContact OD1-NZ 3.92Å; D153-K235 PolarHBondContact OD1-NZ 3.39Å; D153-K235 IonicContact OD2-NZ 3.97Å; D153-K235 PolarHBondContact OD2-NZ 3.44Å; I156-K235 HydrophobicContact CD1-CB 4.13Å; I156-K235 HydrophobicContact CD1-CD 4.04Å; I156-K235 HydrophobicContact CD1-CG 4.27Å; V231-K235 HydrophobicContact CG1-CD 4.41Å; V231-K235 WeakPolarHBondContact O-CG 3.36Å; V231-K235 PolarHBondContact O-N 2.99Å; M232-K235 PolarHBondContact O-N 3.48Å; K235-Q237 VanDerWaalsContact C-N 3.35Å; K235-H238 PolarHBondContact O-N 2.81Å; K235-C239 PolarHBondContact O-N 3.27Å; K235-C239 PolarHBondContact O-SG 3.13Å
236L92.6Very high91.1Very high4 Ų462.2 Ų62.22%0.02131%0.308CS..Hα-helixtrans-63.3-42.6178.5-172.670.6000111.1L152 L186 R190 M232 N233 E234 C239 M240L152-L236 HydrophobicContact CD1-CD1 4Å; L152-L236 HydrophobicContact CD2-CB 4.29Å; L186-L236 HydrophobicContact CD1-CD1 3.64Å; R190-L236 HydrophobicContact CB-CD1 4.29Å; R190-L236 HydrophobicContact CB-CD2 4.08Å; R190-L236 HydrophobicContact CG-CD2 3.94Å; M232-L236 WeakPolarHBondContact O-CB 3.3Å; M232-L236 PolarHBondContact O-N 3.4Å; N233-L236 PolarHBondContact O-N 2.88Å; E234-L236 VanDerWaalsContact C-N 3.34Å; E234-L236 PolarHBondContact O-N 3.33Å; L236-C239 WeakPolarHBondContact O-CB 3.13Å; L236-C239 PolarHBondContact O-N 3.17Å; L236-M240 WeakPolarHBondContact O-CG 3.09Å; L236-M240 PolarHBondContact O-N 2.56Å
237Q92.4Very high90.8Very high86 Ų8665.4 Ų65.440%0.40230%0.302SS..Hα-helixtrans-60.5-47175.7-178.458.638.300111.8N233 E234 K235 C239 M240 E241N233-Q237 WeakPolarHBondContact O-CB 3.38Å; N233-Q237 PolarHBondContact O-N 3.29Å; E234-Q237 PolarHBondContact O-N 3.15Å; K235-Q237 VanDerWaalsContact C-N 3.35Å; Q237-C239 VanDerWaalsContact C-N 3.29Å; Q237-C239 PolarHBondContact O-N 3.26Å; Q237-M240 HydrophobicContact CB-CE 4.39Å; Q237-M240 WeakPolarHBondContact O-CB 3.46Å; Q237-M240 PolarHBondContact O-N 2.97Å; Q237-M240 VanDerWaalsContact O-N 3.13Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.34Å; Q237-E241 PolarHBondContact NE2-OE1 3.34Å; Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 2.62Å
238H91.7Very high90.3Very high119 Ų11960.4 Ų60.455%0.55129%0.29SS*.Hα-helixtrans-60.2-38.8175.9-65.7169.5000112.5E234 K235 M240 E241 L242E234-H238 PolarHBondContact O-N 2.72Å; K235-H238 PolarHBondContact O-N 2.81Å; H238-M240 VanDerWaalsContact C-N 3.33Å; H238-M240 PolarHBondContact O-N 3.19Å; H238-E241 PolarHBondContact O-N 2.95Å; H238-L242 WeakPolarHBondContact O-CB 3.16Å; H238-L242 PolarHBondContact O-N 3.14Å
239C92.4Very high89.6Confident6 Ų661.6 Ų61.64%0.04130%0.297CS..Hα-helixtrans-62.3-41.4175.7-69.60000111.8F155 I156 I159 L186 K235 L236 Q237 L242 T243F155-C239 HydrophobicContact CD1-CB 4.39Å; F155-C239 HydrophobicContact CE1-CB 4.04Å; I156-C239 WeakPolarHBondContact CG1-SG 3.41Å; I159-C239 HydrophobicContact CD1-CB 4.48Å; L186-C239 HydrophobicContact CD1-CB 3.81Å; L186-C239 HydrophobicContact CD2-CB 3.86Å; K235-C239 PolarHBondContact O-N 3.27Å; K235-C239 PolarHBondContact O-SG 3.13Å; L236-C239 WeakPolarHBondContact O-CB 3.13Å; L236-C239 PolarHBondContact O-N 3.17Å; Q237-C239 VanDerWaalsContact C-N 3.29Å; Q237-C239 PolarHBondContact O-N 3.26Å; C239-L242 PolarHBondContact O-N 3Å; C239-T243 VanDerWaalsContact O-CB 3.32Å; C239-T243 WeakPolarHBondContact O-CB 3.3Å; C239-T243 PolarHBondContact O-N 2.86Å; C239-T243 PolarHBondContact O-OG1 3.16Å
240M91.2Very high88.8Confident26 Ų2661.7 Ų61.713%0.12830%0.297CS..Hα-helixtrans-64.4-46178.1-69.8-172.6-6700111.2L186 R190 L236 Q237 H238 L242 T243 D244L186-M240 HydrophobicContact CD2-CB 4.35Å; L186-M240 HydrophobicContact CD2-CG 3.76Å; L186-M240 HydrophobicContact CG-CG 4.29Å; R190-M240 WeakPolarHBondContact CD-SD 3.46Å; R190-M240 VanDerWaalsContact CZ-SD 3.58Å; R190-M240 PolarHBondContact NH1-SD 2.98Å; L236-M240 WeakPolarHBondContact O-CG 3.09Å; L236-M240 PolarHBondContact O-N 2.56Å; Q237-M240 HydrophobicContact CB-CE 4.39Å; Q237-M240 WeakPolarHBondContact O-CB 3.46Å; Q237-M240 PolarHBondContact O-N 2.97Å; Q237-M240 VanDerWaalsContact O-N 3.13Å; H238-M240 VanDerWaalsContact C-N 3.33Å; H238-M240 PolarHBondContact O-N 3.19Å; M240-L242 PolarHBondContact O-N 2.91Å; M240-T243 PolarHBondContact O-N 2.87Å; M240-D244 PolarHBondContact O-N 2.88Å
241E91.1Very high88.2Confident94 Ų9458.8 Ų58.844%0.43929%0.287SS..Hα-helixtrans-59.3-45.8177.2-71.2169.3-168.400112Q237 H238 T243 D244 L245Q237-E241 WeakPolarHBondContact CG-OE1 3.34Å; Q237-E241 PolarHBondContact NE2-OE1 3.34Å; Q237-E241 WeakPolarHBondContact O-CG 3.41Å; Q237-E241 PolarHBondContact O-N 2.62Å; H238-E241 PolarHBondContact O-N 2.95Å; E241-T243 VanDerWaalsContact C-N 3.31Å; E241-T243 PolarHBondContact O-N 2.91Å; E241-D244 PolarHBondContact O-N 3.22Å; E241-L245 WeakPolarHBondContact O-CG 3.23Å; E241-L245 PolarHBondContact O-N 2.69Å
242L88.5Confident87.4Confident31 Ų3161.9 Ų61.916%0.16230%0.298CS..Hα-helixtrans-61.8-41.9176.7177.356.5000111.7I159 P163 H238 C239 M240 L245 M246I159-L242 HydrophobicContact CD1-CD2 3.73Å; I159-L242 HydrophobicContact CG1-CD2 4.2Å; P163-L242 HydrophobicContact CG-CD1 3.82Å; P163-L242 HydrophobicContact CG-CD2 3.51Å; P163-L242 HydrophobicContact CG-CG 4.34Å; H238-L242 WeakPolarHBondContact O-CB 3.16Å; H238-L242 PolarHBondContact O-N 3.14Å; C239-L242 PolarHBondContact O-N 3Å; M240-L242 PolarHBondContact O-N 2.91Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 2.68Å; L242-M246 HydrophobicContact CG-SD 4.36Å; L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.4Å; L242-M246 PolarHBondContact O-N 2.99Å
243T88.1Confident86.6Confident4 Ų465.7 Ų65.73%0.02531%0.314CS..Hα-helixtrans-68.3-37.1-179.3-54.60000111.6I183 C239 M240 E241 M246 R247I183-T243 HydrophobicContact CB-CG2 4.08Å; I183-T243 HydrophobicContact CD1-CG2 4.13Å; I183-T243 HydrophobicContact CG1-CG2 3.09Å; C239-T243 VanDerWaalsContact O-CB 3.32Å; C239-T243 WeakPolarHBondContact O-CB 3.3Å; C239-T243 PolarHBondContact O-N 2.86Å; C239-T243 PolarHBondContact O-OG1 3.16Å; M240-T243 PolarHBondContact O-N 2.87Å; E241-T243 VanDerWaalsContact C-N 3.31Å; E241-T243 PolarHBondContact O-N 2.91Å; T243-M246 WeakPolarHBondContact O-CB 3.08Å; T243-M246 PolarHBondContact O-N 3.11Å; T243-R247 PolarHBondContact O-N 3.06Å
244D87.3Confident85.9Confident81 Ų8169 Ų6943%0.43332%0.322SS..Hα-helixtrans-65.6-40.3173.5-80.4-25.9000112M240 E241 M246 R247 N248M240-D244 PolarHBondContact O-N 2.88Å; E241-D244 PolarHBondContact O-N 3.22Å; D244-M246 VanDerWaalsContact C-N 3.32Å; D244-M246 PolarHBondContact O-N 3.04Å; D244-R247 PolarHBondContact O-N 3.14Å; D244-N248 VanDerWaalsContact O-CG 3.28Å; D244-N248 PolarHBondContact O-N 3.4Å; D244-N248 PolarHBondContact O-ND2 3.31Å
245L85.1Confident85.3Confident114 Ų11467.4 Ų67.460%0.59733%0.325SS*.Hα-helixtrans-59.5-42.7172.7-70.9171.7000111.7E241 L242 N248 H249E241-L245 WeakPolarHBondContact O-CG 3.23Å; E241-L245 PolarHBondContact O-N 2.69Å; L242-L245 WeakPolarHBondContact O-CB 3.43Å; L242-L245 PolarHBondContact O-N 2.68Å; L245-N248 PolarHBondContact O-N 2.99Å; L245-H249 PolarHBondContact O-N 3.01Å
246M83.2Confident84.8Confident12 Ų1268.5 Ų68.56%0.05933%0.333CS..Hα-helixtrans-61.3-44.8176.3-68.8165.853.100111.9I162 L174 V179 L242 T243 D244 H249 L250I162-M246 HydrophobicContact CD1-CE 3.44Å; I162-M246 VanDerWaalsContact CD1-CE 3.44Å; I162-M246 HydrophobicContact CD1-SD 3.54Å; I162-M246 VanDerWaalsContact CD1-SD 3.54Å; I162-M246 HydrophobicContact CG2-CG 3.94Å; I162-M246 HydrophobicContact CG2-SD 3.95Å; L174-M246 HydrophobicContact CD1-CE 3.95Å; V179-M246 HydrophobicContact CB-CE 4.29Å; V179-M246 HydrophobicContact CG1-CB 4.08Å; V179-M246 HydrophobicContact CG1-CE 4.04Å; V179-M246 HydrophobicContact CG2-CE 3.68Å; L242-M246 HydrophobicContact CG-SD 4.36Å; L242-M246 VanDerWaalsContact O-CG 3.29Å; L242-M246 WeakPolarHBondContact O-CG 3.4Å; L242-M246 PolarHBondContact O-N 2.99Å; T243-M246 WeakPolarHBondContact O-CB 3.08Å; T243-M246 PolarHBondContact O-N 3.11Å; D244-M246 VanDerWaalsContact C-N 3.32Å; D244-M246 PolarHBondContact O-N 3.04Å; M246-H249 PolarHBondContact O-N 2.81Å; M246-L250 PolarHBondContact O-N 2.95Å
247R84.3Confident84.5Confident125 Ų12577.2 Ų77.247%0.47237%0.366SS..Hα-helixtrans-60.5-45.7177.3-177178-179.9-159.7-0.4111.6M180 I183 T243 D244 L250 N251M180-R247 HydrophobicContact CE-CG 4.07Å; I183-R247 HydrophobicContact CD1-CB 4.24Å; I183-R247 HydrophobicContact CD1-CG 4.46Å; T243-R247 PolarHBondContact O-N 3.06Å; D244-R247 PolarHBondContact O-N 3.14Å; R247-L250 PolarHBondContact O-N 3.03Å; R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-ND2 3.37Å
248N84.1Confident84.4Confident85 Ų8578 Ų7846%0.45537%0.372SS..Hα-helixtrans-63.7-44.3-180-70-21.7000111.8D244 L245 L250 N251 E252D244-N248 VanDerWaalsContact O-CG 3.28Å; D244-N248 PolarHBondContact O-N 3.4Å; D244-N248 PolarHBondContact O-ND2 3.31Å; L245-N248 PolarHBondContact O-N 2.99Å; N248-L250 VanDerWaalsContact C-N 3.28Å; N248-L250 PolarHBondContact O-N 3.38Å; N248-N251 PolarHBondContact O-N 3.33Å; N248-N251 VanDerWaalsContact O-N 3.12Å; N248-E252 PolarHBondContact O-N 2.97Å
249H79.4Confident84.4Confident69 Ų6977.7 Ų77.732%0.31937%0.371SS..Hα-helixtrans-60.8-35.2177.8-175.566.6000113.3L245 M246 K253L245-H249 PolarHBondContact O-N 3.01Å; M246-H249 PolarHBondContact O-N 2.81Å; H249-K253 WeakPolarHBondContact NE2-CE 3.27Å; H249-K253 PolarHBondContact NE2-NZ 3.3Å; H249-K253 PolarHBondContact O-N 3Å
250L75.4Confident84.5Confident24 Ų2485.3 Ų85.313%0.12640%0.399CS..Hα-helixtrans-70.9-38.9174.9-75.1-179.1000112.8H176 V179 M246 R247 N248 K253 R254H176-L250 HydrophobicContact CB-CD1 4.16Å; V179-L250 HydrophobicContact CB-CD1 3.64Å; V179-L250 HydrophobicContact CG1-CD1 3.92Å; V179-L250 HydrophobicContact CG2-CD1 3.56Å; M246-L250 PolarHBondContact O-N 2.95Å; R247-L250 PolarHBondContact O-N 3.03Å; N248-L250 VanDerWaalsContact C-N 3.28Å; N248-L250 PolarHBondContact O-N 3.38Å; L250-K253 PolarHBondContact O-N 3.18Å; L250-R254 PolarHBondContact O-N 3.16Å
251N78.7Confident84.6Confident69 Ų6989.2 Ų89.237%0.36942%0.418SS..Hα-helixtrans-64.9-42.1177.9-72.8-21.5000111.4R247 N248 K253 R254 A255R247-N251 PolarHBondContact O-N 3.39Å; R247-N251 VanDerWaalsContact O-N 3.12Å; R247-N251 PolarHBondContact O-ND2 3.37Å; N248-N251 PolarHBondContact O-N 3.33Å; N248-N251 VanDerWaalsContact O-N 3.12Å; N251-K253 PolarHBondContact O-N 2.79Å; N251-R254 PolarHBondContact O-N 2.76Å; N251-R254 VanDerWaalsContact O-N 3.13Å; N251-A255 PolarHBondContact O-N 3.21Å
252E79.2Confident84.7Confident120 Ų12088.6 Ų88.656%0.56142%0.417SS*.Hα-helixtrans-58.2-44.7174.3-74175.8178.500112N248 R254 A255 L256N248-E252 PolarHBondContact O-N 2.97Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.06Å; E252-A255 PolarHBondContact O-N 2.83Å; E252-L256 WeakPolarHBondContact O-CB 3.4Å; E252-L256 WeakPolarHBondContact O-CG 3.18Å; E252-L256 PolarHBondContact O-N 3.41Å
253K75.3Confident85.1Confident82 Ų8290.1 Ų90.136%0.35743%0.428SS..Hα-helixtrans-61.3-35176.1-77.3-179.1-178.7161.20113.1H249 L250 N251 R257H249-K253 WeakPolarHBondContact NE2-CE 3.27Å; H249-K253 PolarHBondContact NE2-NZ 3.3Å; H249-K253 PolarHBondContact O-N 3Å; L250-K253 PolarHBondContact O-N 3.18Å; N251-K253 PolarHBondContact O-N 2.79Å; K253-R257 PolarHBondContact O-N 3.04Å
254R75.9Confident85.4Confident137 Ų13794.3 Ų94.352%0.51745%0.449SS..Hα-helixtrans-70.9-44.4175.8-75.1-175.3177.5-158.61.3111.1H176 L250 N251 E252 R257 L258H176-R254 PolarHBondContact CD2-NH2 3.16Å; L250-R254 PolarHBondContact O-N 3.16Å; N251-R254 PolarHBondContact O-N 2.76Å; N251-R254 VanDerWaalsContact O-N 3.13Å; E252-R254 VanDerWaalsContact C-N 3.27Å; E252-R254 PolarHBondContact O-N 3.06Å; R254-R257 PolarHBondContact O-N 3.46Å; R254-L258 PolarHBondContact O-N 3.18Å
255A81.4Confident85.8Confident59 Ų5995.4 Ų95.449%0.48845%0.454SS..Hα-helixtrans-58.7-48.2176.500000111.2N251 E252 R257 L258 E259N251-A255 PolarHBondContact O-N 3.21Å; E252-A255 PolarHBondContact O-N 2.83Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 PolarHBondContact O-N 2.73Å; A255-L258 PolarHBondContact O-N 3.35Å; A255-L258 VanDerWaalsContact O-N 3.15Å; A255-E259 WeakPolarHBondContact O-CB 3.45Å; A255-E259 PolarHBondContact O-N 3.33Å
256L82.7Confident86.3Confident91 Ų9194.8 Ų94.848%0.47645%0.45SS..Hα-helixtrans-59.6-38.3176-72.4169.9000112.7E252 E259 W260E252-L256 WeakPolarHBondContact O-CB 3.4Å; E252-L256 WeakPolarHBondContact O-CG 3.18Å; E252-L256 PolarHBondContact O-N 3.41Å; L256-E259 PolarHBondContact O-N 3.09Å; L256-W260 VanDerWaalsContact O-CD1 3.28Å; L256-W260 PolarHBondContact O-N 3.26Å
257R86.2Confident86.9Confident188 Ų18897.6 Ų97.671%0.70947%0.468SS*.Hα-helixtrans-66.3-41177-170.6-173.2-56.8175.41.4111.7K253 R254 A255 W260 M261K253-R257 PolarHBondContact O-N 3.04Å; R254-R257 PolarHBondContact O-N 3.46Å; A255-R257 VanDerWaalsContact C-N 3.31Å; A255-R257 PolarHBondContact O-N 2.73Å; R257-W260 PolarHBondContact O-N 2.89Å; R257-M261 PolarHBondContact O-N 2.91Å
258L90.7Very high87.5Confident102 Ų10295.6 Ų95.653%0.53447%0.466SS..Hα-helixtrans-66.5-41.6176.7-176.3132.7000110.9R254 A255 M261 I262R254-L258 PolarHBondContact O-N 3.18Å; A255-L258 PolarHBondContact O-N 3.35Å; A255-L258 VanDerWaalsContact O-N 3.15Å; L258-M261 WeakPolarHBondContact O-CB 3.35Å; L258-M261 PolarHBondContact O-N 2.74Å; L258-I262 HydrophobicContact CD2-CD1 3.71Å; L258-I262 HydrophobicContact CG-CD1 4.44Å; L258-I262 WeakPolarHBondContact O-CG1 3.32Å; L258-I262 PolarHBondContact O-N 3.45Å
259E92.7Very high88Confident112 Ų11297.5 Ų97.552%0.52347%0.472SS..Hα-helixtrans-57.8-50.6173.7-172.4-177.416800111.3A255 L256 M261 I262 V263A255-E259 WeakPolarHBondContact O-CB 3.45Å; A255-E259 PolarHBondContact O-N 3.33Å; L256-E259 PolarHBondContact O-N 3.09Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 2.93Å; E259-I262 WeakPolarHBondContact O-CB 3.4Å; E259-I262 PolarHBondContact O-N 3.16Å; E259-I262 VanDerWaalsContact O-N 3.09Å; E259-V263 WeakPolarHBondContact O-CG2 3.5Å; E259-V263 PolarHBondContact O-N 3.1Å
260W93.3Very high88.7Confident167 Ų16797.8 Ų97.863%0.63348%0.479SS*.Hα-helixtrans-59.4-37.7176.3-90.7102.9000113.3L256 R257 I262 V263 I264L256-W260 VanDerWaalsContact O-CD1 3.28Å; L256-W260 PolarHBondContact O-N 3.26Å; R257-W260 PolarHBondContact O-N 2.89Å; W260-I262 VanDerWaalsContact C-N 3.34Å; W260-V263 PolarHBondContact O-N 3.48Å; W260-I264 WeakPolarHBondContact O-CB 3.18Å; W260-I264 WeakPolarHBondContact O-CD1 3.27Å; W260-I264 VanDerWaalsContact O-CG1 3.25Å; W260-I264 WeakPolarHBondContact O-CG1 3.22Å; W260-I264 PolarHBondContact O-N 2.99Å
261M93.3Very high89.6Confident108 Ų108102.3 Ų102.353%0.53250%0.501SS..Hα-helixtrans-62.6-42.1175.6-171.7178.57200111.4R257 L258 E259 I264 L265R257-M261 PolarHBondContact O-N 2.91Å; L258-M261 WeakPolarHBondContact O-CB 3.35Å; L258-M261 PolarHBondContact O-N 2.74Å; E259-M261 VanDerWaalsContact C-N 3.29Å; E259-M261 PolarHBondContact O-N 2.93Å; M261-I264 PolarHBondContact O-N 2.9Å; M261-L265 HydrophobicContact CG-CD1 4.27Å; M261-L265 VanDerWaalsContact O-CG 3.26Å; M261-L265 WeakPolarHBondContact O-CG 3.41Å; M261-L265 PolarHBondContact O-N 3.1Å
262I94.3Very high90.4Very high80 Ų80106 Ų10641%0.4151%0.514SS..Hα-helixtrans-63.8-47176.4-66166000110.7L258 E259 W260 I264 L265 I266L258-I262 HydrophobicContact CD2-CD1 3.71Å; L258-I262 HydrophobicContact CG-CD1 4.44Å; L258-I262 WeakPolarHBondContact O-CG1 3.32Å; L258-I262 PolarHBondContact O-N 3.45Å; E259-I262 WeakPolarHBondContact O-CB 3.4Å; E259-I262 PolarHBondContact O-N 3.16Å; E259-I262 VanDerWaalsContact O-N 3.09Å; W260-I262 VanDerWaalsContact C-N 3.34Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.09Å; I262-L265 PolarHBondContact O-N 2.94Å; I262-I266 HydrophobicContact CG2-CD1 3.77Å; I262-I266 HydrophobicContact CG2-CG1 4.44Å; I262-I266 WeakPolarHBondContact O-CG1 3.35Å; I262-I266 PolarHBondContact O-N 2.83Å
263V95.4Very high91Very high64 Ų64105 Ų10539%0.38851%0.509SS..Hα-helixtrans-58.5-44.1178.1175.40000111.1E259 W260 I266 T267E259-V263 WeakPolarHBondContact O-CG2 3.5Å; E259-V263 PolarHBondContact O-N 3.1Å; W260-V263 PolarHBondContact O-N 3.48Å; V263-I266 PolarHBondContact O-N 2.96Å; V263-T267 WeakPolarHBondContact O-CB 3.36Å; V263-T267 PolarHBondContact O-N 3.47Å; V263-T267 PolarHBondContact O-OG1 3.34Å
264I95.7Very high91.8Very high91 Ų91104.8 Ų104.847%0.46751%0.511SS..Hα-helixtrans-63.1-45.2177.6-70.7166.3000110.8W260 M261 I262 I266 T267 I268W260-I264 WeakPolarHBondContact O-CB 3.18Å; W260-I264 WeakPolarHBondContact O-CD1 3.27Å; W260-I264 VanDerWaalsContact O-CG1 3.25Å; W260-I264 WeakPolarHBondContact O-CG1 3.22Å; W260-I264 PolarHBondContact O-N 2.99Å; M261-I264 PolarHBondContact O-N 2.9Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.09Å; I264-I266 PolarHBondContact O-N 3.12Å; I264-T267 PolarHBondContact O-N 3.02Å; I264-I268 HydrophobicContact CG2-CD1 3.83Å; I264-I268 HydrophobicContact CG2-CG1 4.47Å; I264-I268 WeakPolarHBondContact O-CG1 3.35Å; I264-I268 PolarHBondContact O-N 2.93Å
265L94.9Very high92.5Very high104 Ų104100.1 Ų100.155%0.54551%0.505SS..Hα-helixtrans-60.1-45.6178.7-74.3167.1000112M261 I262 T267 I268 E269M261-L265 HydrophobicContact CG-CD1 4.27Å; M261-L265 VanDerWaalsContact O-CG 3.26Å; M261-L265 WeakPolarHBondContact O-CG 3.41Å; M261-L265 PolarHBondContact O-N 3.1Å; I262-L265 PolarHBondContact O-N 2.94Å; L265-T267 VanDerWaalsContact C-N 3.32Å; L265-T267 PolarHBondContact O-N 2.88Å; L265-I268 PolarHBondContact O-N 3.06Å; L265-E269 PolarHBondContact O-N 2.8Å; L265-E269 VanDerWaalsContact O-N 3.1Å
266I95.5Very high92.9Very high101 Ų101106 Ų10652%0.51852%0.515SS..Hα-helixtrans-63.4-40.7176.6-65.7167.6000110.7I262 V263 I264 I268 E269 V270I262-I266 HydrophobicContact CG2-CD1 3.77Å; I262-I266 HydrophobicContact CG2-CG1 4.44Å; I262-I266 WeakPolarHBondContact O-CG1 3.35Å; I262-I266 PolarHBondContact O-N 2.83Å; V263-I266 PolarHBondContact O-N 2.96Å; I264-I266 PolarHBondContact O-N 3.12Å; I266-I268 VanDerWaalsContact C-N 3.34Å; I266-I268 PolarHBondContact O-N 3.42Å; I266-E269 PolarHBondContact O-N 3.16Å; I266-V270 HydrophobicContact CG2-CG2 4.43Å; I266-V270 WeakPolarHBondContact O-CG2 3.37Å; I266-V270 PolarHBondContact O-N 2.46Å
267T96.3Very high93.2Very high71 Ų71106.8 Ų106.844%0.43652%0.524SS..Hα-helixtrans-63.3-41.8179.6-56.90000111.4V263 I264 L265 V270 M271V263-T267 WeakPolarHBondContact O-CB 3.36Å; V263-T267 PolarHBondContact O-N 3.47Å; V263-T267 PolarHBondContact O-OG1 3.34Å; I264-T267 PolarHBondContact O-N 3.02Å; L265-T267 VanDerWaalsContact C-N 3.32Å; L265-T267 PolarHBondContact O-N 2.88Å; T267-V270 PolarHBondContact O-N 3.18Å; T267-M271 VanDerWaalsContact O-CG 3.24Å; T267-M271 WeakPolarHBondContact O-CG 3.38Å; T267-M271 PolarHBondContact O-N 3.35Å; T267-M271 VanDerWaalsContact O-N 3.08Å
268I96.2Very high92.9Very high83 Ų83106.1 Ų106.143%0.42653%0.526SS..Hα-helixtrans-63.3-44.9176.6-69.7167.9000110.8I264 L265 I266 V270 M271 F272I264-I268 HydrophobicContact CG2-CD1 3.83Å; I264-I268 HydrophobicContact CG2-CG1 4.47Å; I264-I268 WeakPolarHBondContact O-CG1 3.35Å; I264-I268 PolarHBondContact O-N 2.93Å; L265-I268 PolarHBondContact O-N 3.06Å; I266-I268 VanDerWaalsContact C-N 3.34Å; I266-I268 PolarHBondContact O-N 3.42Å; I268-V270 PolarHBondContact O-N 2.79Å; I268-M271 PolarHBondContact O-N 2.7Å; I268-F272 HydrophobicContact CG2-CD2 3.75Å; I268-F272 HydrophobicContact CG2-CE2 3.43Å; I268-F272 VanDerWaalsContact CG2-CE2 3.43Å; I268-F272 HydrophobicContact CG2-CZ 4.44Å; I268-F272 WeakPolarHBondContact O-CD2 3.12Å; I268-F272 PolarHBondContact O-N 3.1Å
269E95.6Very high91.7Very high126 Ų126112.9 Ų112.959%0.58955%0.551SS**Hα-helixtrans-58.4-48.4178.3-170.568.1-171.300111.6L265 I266 M271 F272 E273L265-E269 PolarHBondContact O-N 2.8Å; L265-E269 VanDerWaalsContact O-N 3.1Å; I266-E269 PolarHBondContact O-N 3.16Å; E269-M271 VanDerWaalsContact C-N 3.29Å; E269-M271 PolarHBondContact O-N 3.25Å; E269-F272 PolarHBondContact O-N 2.82Å; E269-E273 PolarHBondContact O-N 3.45Å
270V94.6Very high91.7Very high74 Ų74112.9 Ų112.945%0.44855%0.553SS.*Hα-helixtrans-61.5-38.6178.4172.90000111.4I266 T267 I268 E273 L274I266-V270 HydrophobicContact CG2-CG2 4.43Å; I266-V270 WeakPolarHBondContact O-CG2 3.37Å; I266-V270 PolarHBondContact O-N 2.46Å; T267-V270 PolarHBondContact O-N 3.18Å; I268-V270 PolarHBondContact O-N 2.79Å; V270-E273 PolarHBondContact O-N 3.4Å; V270-L274 HydrophobicContact CG1-CD1 4.01Å; V270-L274 HydrophobicContact CG1-CG 4.43Å; V270-L274 WeakPolarHBondContact O-CB 3.27Å; V270-L274 VanDerWaalsContact O-CG 3.3Å; V270-L274 WeakPolarHBondContact O-CG 3.46Å; V270-L274 PolarHBondContact O-N 2.88Å
271M94.3Very high91.6Very high119 Ų119110.1 Ų110.159%0.58655%0.549SS*.Hα-helixtrans-65.9-39.1177.4-72.2-70.3137.300112.4T267 I268 E269 L274 G275T267-M271 VanDerWaalsContact O-CG 3.24Å; T267-M271 WeakPolarHBondContact O-CG 3.38Å; T267-M271 PolarHBondContact O-N 3.35Å; T267-M271 VanDerWaalsContact O-N 3.08Å; I268-M271 PolarHBondContact O-N 2.7Å; E269-M271 VanDerWaalsContact C-N 3.29Å; E269-M271 PolarHBondContact O-N 3.25Å; M271-L274 HydrophobicContact CE-CD1 4.36Å; M271-G275 PolarHBondContact O-N 2.92Å
272F94.2Very high91.5Very high147 Ų147110.2 Ų110.265%0.64555%0.55SS*.Hα-helixtrans-64.9-44174.7-79.5-54.6000112.1I268 E269 L274 G275 R276I268-F272 HydrophobicContact CG2-CD2 3.75Å; I268-F272 HydrophobicContact CG2-CE2 3.43Å; I268-F272 VanDerWaalsContact CG2-CE2 3.43Å; I268-F272 HydrophobicContact CG2-CZ 4.44Å; I268-F272 WeakPolarHBondContact O-CD2 3.12Å; I268-F272 PolarHBondContact O-N 3.1Å; E269-F272 PolarHBondContact O-N 2.82Å; F272-L274 PolarHBondContact O-N 3.35Å; F272-G275 PolarHBondContact O-N 2.83Å; F272-R276 PolarHBondContact O-N 3.29Å
273E92.6Very high91.4Very high98 Ų98111.9 Ų111.946%0.45856%0.558SS.*Hα-helixtrans-64.8-41.9179.6-162.862.9-159.800111.2E269 V270 R276 V277E269-E273 PolarHBondContact O-N 3.45Å; V270-E273 PolarHBondContact O-N 3.4Å; E273-R276 PolarHBondContact O-N 2.89Å; E273-V277 WeakPolarHBondContact O-CG2 3.44Å; E273-V277 PolarHBondContact O-N 3.48Å
274L92.1Very high91.1Very high79 Ų79114.9 Ų114.941%0.41457%0.568SS.*Hα-helixtrans-61.3-46.1172.8-71.7171.1000111.5V270 M271 F272 R276 V277 F278V270-L274 HydrophobicContact CG1-CD1 4.01Å; V270-L274 HydrophobicContact CG1-CG 4.43Å; V270-L274 WeakPolarHBondContact O-CB 3.27Å; V270-L274 VanDerWaalsContact O-CG 3.3Å; V270-L274 WeakPolarHBondContact O-CG 3.46Å; V270-L274 PolarHBondContact O-N 2.88Å; M271-L274 HydrophobicContact CE-CD1 4.36Å; F272-L274 PolarHBondContact O-N 3.35Å; L274-R276 PolarHBondContact O-N 3.36Å; L274-V277 PolarHBondContact O-N 3.09Å; L274-V277 VanDerWaalsContact O-N 3.11Å; L274-F278 HydrophobicContact CB-CD2 4.49Å; L274-F278 HydrophobicContact CD2-CE2 4.25Å; L274-F278 WeakPolarHBondContact O-CD2 3.43Å; L274-F278 PolarHBondContact O-N 2.88Å
275G91.3Very high90.8Very high38 Ų38116.5 Ų116.539%0.39258%0.575SS.*Hα-helixtrans-56-40176.300000112.7M271 F272 F278 F279M271-G275 PolarHBondContact O-N 2.92Å; F272-G275 PolarHBondContact O-N 2.83Å; G275-F278 PolarHBondContact O-N 2.82Å; G275-F279 WeakPolarHBondContact O-CB 3.12Å; G275-F279 PolarHBondContact O-N 2.95Å; G275-F279 VanDerWaalsContact O-N 3.08Å
276R88.6Confident90.5Very high184 Ų184117.4 Ų117.469%0.69458%0.577SS**Hα-helixtrans-70.4-31177-165.9-175.8-166.3-172.55113.8F272 E273 L274F272-R276 PolarHBondContact O-N 3.29Å; E273-R276 PolarHBondContact O-N 2.89Å; L274-R276 PolarHBondContact O-N 3.36Å
277V88.9Confident90.1Very high107 Ų107118.7 Ų118.765%0.64858%0.582SS**Hα-helixtrans-76.3-33.2176.8171.30000111.2E273 L274E273-V277 WeakPolarHBondContact O-CG2 3.44Å; E273-V277 PolarHBondContact O-N 3.48Å; L274-V277 PolarHBondContact O-N 3.09Å; L274-V277 VanDerWaalsContact O-N 3.11Å
278F80.3Confident89.6Confident173 Ų173122.7 Ų122.776%0.75959%0.594SS**Hα-helixtrans-87.7-18.9-178.1-78.1-70.8000114.8L274 G275L274-F278 HydrophobicContact CB-CD2 4.49Å; L274-F278 HydrophobicContact CD2-CE2 4.25Å; L274-F278 WeakPolarHBondContact O-CD2 3.43Å; L274-F278 PolarHBondContact O-N 2.88Å; G275-F278 PolarHBondContact O-N 2.82Å
279F66.6Low89Confident244 Ų244126.3 Ų126.3100%1.0761%0.609SS**  trans-125.70-174.8-135.4-77.4000111.8G275G275-F279 WeakPolarHBondContact O-CB 3.12Å; G275-F279 PolarHBondContact O-N 2.95Å; G275-F279 VanDerWaalsContact O-N 3.08Å

Retrieved 279 of 279 residues in 143.9 ms (Link to these results)

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