A0A077ZNC3_TRITR Loading...

Pribosyltran N and Pribosyl synth domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077ZNC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 341 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
1M43.7Very low63.8Low184 Ų18494.6 Ų94.691%0.90644%0.438SS*.  0-40.20-149.9167.1108.500111.1E3 K4 E5M1-E3 PolarHBondContact O-N 3.14Å; M1-K4 PolarHBondContact O-N 3.17Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-E5 PolarHBondContact O-N 3.08Å
2E45.6Very low66.5Low143 Ų14386.8 Ų86.867%0.66840%0.402SS*.Hα-helixtrans-53.7-40.6-178.5-63.4-177.9170.200115.7K4 E5 K6E2-K4 VanDerWaalsContact C-N 3.33Å; E2-K4 PolarHBondContact O-N 3.21Å; E2-E5 PolarHBondContact O-N 3.42Å; E2-K6 WeakPolarHBondContact O-CG 3.36Å; E2-K6 PolarHBondContact O-N 3.03Å
3E45Very low68.8Low162 Ų16281.6 Ų81.676%0.75738%0.38SS*.Hα-helixtrans-67.3-32.5178.3-79.5-171.2148.800113.4M1 K6 R7M1-E3 PolarHBondContact O-N 3.14Å; E3-K6 PolarHBondContact O-N 3.41Å; E3-R7 PolarHBondContact O-N 3.13Å
4K46Very low70.7Confident120 Ų12076 Ų7652%0.52236%0.355SS..Hα-helixtrans-71.3-39178.1-76.1-173.4175.3-178.90111.2M1 E2 K6 R7 G8M1-K4 PolarHBondContact O-N 3.17Å; M1-K4 VanDerWaalsContact O-N 3.08Å; E2-K4 VanDerWaalsContact C-N 3.33Å; E2-K4 PolarHBondContact O-N 3.21Å; K4-K6 VanDerWaalsContact C-N 3.33Å; K4-R7 PolarHBondContact O-N 2.84Å; K4-G8 PolarHBondContact O-N 2.88Å
5E48.1Very low72.1Confident138 Ų13874.3 Ų74.365%0.64537%0.366SS*.Hα-helixtrans-64.3-38170.5-76-176.6159.700111.7M1 E2 R7 G8M1-E5 PolarHBondContact O-N 3.08Å; E2-E5 PolarHBondContact O-N 3.42Å; E5-R7 PolarHBondContact O-N 3.47Å; E5-G8 PolarHBondContact O-N 3.32Å
6K48.2Very low73.5Confident155 Ų15570.4 Ų70.467%0.67435%0.348SS*.Hα-helixtrans-64.7-36176.2-76176.4-176.5175.40113.4E2 E3 K4E2-K6 WeakPolarHBondContact O-CG 3.36Å; E2-K6 PolarHBondContact O-N 3.03Å; E3-K6 PolarHBondContact O-N 3.41Å; K4-K6 VanDerWaalsContact C-N 3.33Å
7R58.5Low74.9Confident101 Ų10166.9 Ų66.938%0.38133%0.331SS..Hα-helixtrans-77.1-31.4174.7-81.5-168.5164.2-176.5-2.8112.8E3 K4 E5 R88 F325E3-R7 PolarHBondContact O-N 3.13Å; K4-R7 PolarHBondContact O-N 2.84Å; E5-R7 PolarHBondContact O-N 3.47Å; R7-R88 PolarHBondContact O-NH1 2.79Å; R7-R88 VanDerWaalsContact O-NH1 3.12Å; R7-F325 HydrophobicContact CB-CE2 4.22Å; R7-F325 HydrophobicContact CB-CZ 3.82Å
8G83.8Confident76Confident13 Ų1367.9 Ų67.913%0.13434%0.343CS..  trans57.591.317500000113.3K4 E5 R56 E57K4-G8 PolarHBondContact O-N 2.88Å; E5-G8 PolarHBondContact O-N 3.32Å; G8-R56 WeakPolarHBondContact O-CA 3.28Å; G8-R56 VanDerWaalsContact O-CB 3.23Å; G8-R56 WeakPolarHBondContact O-CB 3.31Å; G8-E57 PolarHBondContact O-N 3Å
9M91.9Very high77Confident24 Ų2469.6 Ų69.612%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-80.3130.7167.8179.816466.200109.5V11 V30 E57 F59 I321 F325M9-V11 HydrophobicContact CG-CG2 4.49Å; M9-V30 HydrophobicContact CB-CG1 4.12Å; M9-V30 HydrophobicContact CE-CB 4.1Å; M9-V30 HydrophobicContact CE-CG1 3.32Å; M9-V30 HydrophobicContact CE-CG2 3.6Å; M9-V30 HydrophobicContact CG-CG1 4.36Å; M9-E57 WeakPolarHBondContact CA-O 3.32Å; M9-F59 HydrophobicContact CG-CD2 3.91Å; M9-F59 HydrophobicContact CG-CE2 3.96Å; M9-F59 HydrophobicContact SD-CD2 4.06Å; M9-F59 HydrophobicContact SD-CE2 3.83Å; M9-I321 HydrophobicContact SD-CG2 4.05Å; M9-F325 HydrophobicContact CB-CD1 4.42Å; M9-F325 HydrophobicContact CB-CD2 3.85Å; M9-F325 HydrophobicContact CB-CE1 4.16Å; M9-F325 HydrophobicContact CB-CE2 3.56Å; M9-F325 HydrophobicContact CB-CG 4.26Å; M9-F325 HydrophobicContact CB-CZ 3.72Å; M9-F325 HydrophobicContact CG-CD2 4.18Å; M9-F325 HydrophobicContact CG-CE2 4.38Å; M9-F325 HydrophobicContact CG-CG 4.44Å; M9-F325 HydrophobicContact SD-CB 3.97Å; M9-F325 HydrophobicContact SD-CD1 4.19Å; M9-F325 HydrophobicContact SD-CD2 4.15Å; M9-F325 HydrophobicContact SD-CG 3.82Å
10G93.6Very high78Confident1 Ų166.2 Ų66.21%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-121.1142168.900000110.4C33 E57 I58 F59G10-C33 WeakPolarHBondContact CA-SG 3.33Å; G10-E57 PolarHBondContact N-O 3.48Å; G10-I58 CarbonylContact O-C 3.53Å; G10-I58 WeakPolarHBondContact O-CA 3.44Å; G10-F59 PolarHBondContact O-N 2.92Å
11V97Very high78.9Confident0 Ų063 Ų630%032%0.316CS..EExtended strand (participates in β ladder)trans-120.9122.3175.6-174.60000108.8M9 M25 L28 V30 C33 F59 I61M9-V11 HydrophobicContact CG-CG2 4.49Å; V11-M25 HydrophobicContact CB-CE 4.37Å; V11-M25 HydrophobicContact CB-SD 3.55Å; V11-M25 VanDerWaalsContact CB-SD 3.55Å; V11-M25 HydrophobicContact CG1-SD 3.51Å; V11-M25 VanDerWaalsContact CG1-SD 3.51Å; V11-M25 HydrophobicContact CG2-SD 3.88Å; V11-L28 HydrophobicContact CG2-CD1 4.33Å; V11-V30 HydrophobicContact CG2-CG2 3.95Å; V11-C33 WeakPolarHBondContact O-CB 3.44Å; V11-C33 PolarHBondContact O-N 2.84Å; V11-F59 CarbonylContact C-O 3.55Å; V11-F59 WeakPolarHBondContact CA-O 3.39Å; V11-F59 HydrophobicContact CG2-CB 4.38Å; V11-I61 HydrophobicContact CG1-CD1 3.62Å; V11-I61 HydrophobicContact CG1-CG1 4.01Å
12L96.8Very high81.4Confident1 Ų158 Ų581%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-105.6144.7172.3-68169.5000109C33 A35 I49 I58 F59 I60 I61 M78 C82L12-C33 HydrophobicContact CD2-CB 3.5Å; L12-C33 VanDerWaalsContact CD2-CB 3.5Å; L12-C33 HydrophobicContact CG-CB 4.15Å; L12-A35 HydrophobicContact CD2-CB 3.64Å; L12-I49 HydrophobicContact CD1-CD1 3.81Å; L12-I49 HydrophobicContact CD2-CG2 4.47Å; L12-I58 HydrophobicContact CD1-CG2 3.63Å; L12-I58 HydrophobicContact CG-CG2 4.04Å; L12-F59 PolarHBondContact N-O 3.46Å; L12-I60 HydrophobicContact CB-CG1 4.28Å; L12-I60 HydrophobicContact CD1-CG1 4.37Å; L12-I60 WeakPolarHBondContact O-CA 3.5Å; L12-I61 PolarHBondContact O-N 3.05Å; L12-M78 HydrophobicContact CB-CE 3.86Å; L12-C82 WeakPolarHBondContact CD1-SG 3.48Å
13V96.6Very high83.9Confident19 Ų1954 Ų5412%0.11528%0.282CS..EExtended strand (participates in β ladder)trans-121.5125-177.5177.30000107.4A21 Q32V13-A21 HydrophobicContact CB-CB 4.09Å; V13-A21 HydrophobicContact CG1-CB 3.3Å; V13-A21 HydrophobicContact CG2-CB 3.62Å; V13-Q32 VanDerWaalsContact CG2-CD 3.49Å; V13-Q32 HydrophobicContact CG2-CG 3.99Å
14G94.9Very high86.4Confident3 Ų346.3 Ų46.33%0.03125%0.246CC..  trans-83.7176171.100000112.2S16 I61 Q62 E74G14-S16 VanDerWaalsContact C-N 3.27Å; G14-S16 PolarHBondContact O-N 3.37Å; G14-I61 PolarHBondContact N-O 2.9Å; G14-Q62 VanDerWaalsContact C-OE1 3.28Å; G14-E74 WeakPolarHBondContact CA-OE1 3.49Å
15G92.2Very high88.7Confident50 Ų5041.6 Ų41.652%0.51523%0.226SC..SBendtrans-74.8-9.8-176.200000114.7H17 E74G15-H17 PolarHBondContact O-N 3.16Å; G15-E74 PolarHBondContact N-OE1 3.47Å
16S94.6Very high90.9Very high12 Ų1239.5 Ų39.58%0.08423%0.227CC..SBendtrans-65.4-43.4-171.768.20000113.6G14 Q62 T63 T65G14-S16 VanDerWaalsContact C-N 3.27Å; G14-S16 PolarHBondContact O-N 3.37Å; S16-Q62 VanDerWaalsContact CB-OE1 3.27Å; S16-Q62 PolarHBondContact OG-OE1 2.88Å; S16-T63 WeakPolarHBondContact CB-O 3.36Å; S16-T63 PolarHBondContact OG-N 3.48Å; S16-T63 PolarHBondContact OG-O 3.13Å; S16-T65 WeakPolarHBondContact O-CG2 3.3Å
17H96.2Very high93.1Very high12 Ų1235.9 Ų35.96%0.05621%0.212CC..  trans-156.373-173.1-163.2-0.2000111.6G15 E19 L20 A21 T63 N294 P297G15-H17 PolarHBondContact O-N 3.16Å; H17-E19 IonicContact CE1-OE2 2.87Å; H17-E19 PolarHBondContact O-N 3.36Å; H17-L20 HydrophobicContact CB-CB 4.35Å; H17-L20 VanDerWaalsContact CD2-CB 3.43Å; H17-L20 WeakPolarHBondContact CD2-CB 3.37Å; H17-L20 PolarHBondContact ND1-N 3Å; H17-L20 PolarHBondContact O-N 2.98Å; H17-A21 PolarHBondContact O-N 3.23Å; H17-T63 HydrophobicContact CB-CG2 3.82Å; H17-N294 PolarHBondContact CD2-O 2.88Å; H17-N294 PolarHBondContact NE2-O 2.76Å; H17-P297 HydrophobicContact CB-CG 4.4Å
18P94.7Very high94.7Very high84 Ų8431.8 Ų31.855%0.54520%0.198SC..Hα-helixtrans-63.1-30.1-177.924.3-34.1000113.2A21 S22P18-A21 PolarHBondContact O-N 3.4Å; P18-S22 PolarHBondContact O-N 2.69Å
19E95.9Very high94.8Very high100 Ų10036.2 Ų36.247%0.46722%0.224SC..Hα-helixtrans-62.9-51.6177.3-179.4-177.7-168.800112.3H17 A21 S22 L23H17-E19 IonicContact CE1-OE2 2.87Å; H17-E19 PolarHBondContact O-N 3.36Å; E19-A21 VanDerWaalsContact C-N 3.26Å; E19-A21 PolarHBondContact O-N 3.02Å; E19-S22 WeakPolarHBondContact O-CB 3.28Å; E19-S22 PolarHBondContact O-N 3.16Å; E19-S22 VanDerWaalsContact O-N 3.14Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 3.33Å
20L97.4Very high94.7Very high2 Ų237 Ų371%0.0123%0.23CC..Hα-helixtrans-58.3-42.4174.9172.164.6000111H17 S22 L23 I24 P95 N294 I313 L317H17-L20 HydrophobicContact CB-CB 4.35Å; H17-L20 VanDerWaalsContact CD2-CB 3.43Å; H17-L20 WeakPolarHBondContact CD2-CB 3.37Å; H17-L20 PolarHBondContact ND1-N 3Å; H17-L20 PolarHBondContact O-N 2.98Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 3.18Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.41Å; L20-I24 HydrophobicContact CD1-CD1 4.07Å; L20-I24 HydrophobicContact CD1-CG1 4.23Å; L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 HydrophobicContact CG-CD1 3.87Å; L20-I24 HydrophobicContact CG-CG1 4.46Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 2.82Å; L20-P95 HydrophobicContact CD2-CG 3.97Å; L20-N294 WeakPolarHBondContact CD2-O 3.47Å; L20-I313 HydrophobicContact CD1-CD1 3.43Å; L20-I313 VanDerWaalsContact CD1-CD1 3.43Å; L20-I313 HydrophobicContact CD2-CD1 4.12Å; L20-I313 HydrophobicContact CG-CD1 4.42Å; L20-L317 HydrophobicContact CD2-CD1 4.25Å
21A96.2Very high94.5Very high0 Ų044.9 Ų44.90%026%0.26CS..Hα-helixtrans-61.8-41.3178.200000111.9V13 H17 P18 E19 L23 I24 M25 I61V13-A21 HydrophobicContact CB-CB 4.09Å; V13-A21 HydrophobicContact CG1-CB 3.3Å; V13-A21 HydrophobicContact CG2-CB 3.62Å; H17-A21 PolarHBondContact O-N 3.23Å; P18-A21 PolarHBondContact O-N 3.4Å; E19-A21 VanDerWaalsContact C-N 3.26Å; E19-A21 PolarHBondContact O-N 3.02Å; A21-L23 VanDerWaalsContact C-N 3.32Å; A21-L23 PolarHBondContact O-N 3.08Å; A21-I24 PolarHBondContact O-N 3.26Å; A21-M25 WeakPolarHBondContact O-CB 3.2Å; A21-M25 WeakPolarHBondContact O-CG 3.43Å; A21-M25 PolarHBondContact O-N 3.15Å; A21-I61 HydrophobicContact CB-CB 4.46Å; A21-I61 HydrophobicContact CB-CD1 4.36Å; A21-I61 HydrophobicContact CB-CG2 4.08Å
22S96.5Very high94.3Very high77 Ų7748.9 Ų48.954%0.53828%0.278SS..Hα-helixtrans-61.3-40.2174.4-171.80000112.1P18 E19 L20 M25 S26P18-S22 PolarHBondContact O-N 2.69Å; E19-S22 WeakPolarHBondContact O-CB 3.28Å; E19-S22 PolarHBondContact O-N 3.16Å; E19-S22 VanDerWaalsContact O-N 3.14Å; L20-S22 VanDerWaalsContact C-N 3.33Å; L20-S22 PolarHBondContact O-N 3.18Å; S22-M25 PolarHBondContact O-N 3.24Å; S22-S26 PolarHBondContact O-N 2.87Å
23L97.6Very high94.2Very high61 Ų6149 Ų4932%0.31928%0.279SS..Hα-helixtrans-62.9-45.6176-67.1173000111.2E19 L20 A21 S26E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 3.33Å; L20-L23 WeakPolarHBondContact O-CB 3.4Å; L20-L23 PolarHBondContact O-N 3.41Å; A21-L23 VanDerWaalsContact C-N 3.32Å; A21-L23 PolarHBondContact O-N 3.08Å; L23-S26 PolarHBondContact O-N 3.47Å; L23-S26 PolarHBondContact O-OG 3.41Å
24I97.2Very high94Very high0 Ų052.8 Ų52.80%030%0.296CS..Hα-helixtrans-61.9-46175.9-66.1165.9000110.7L20 A21 S26 Q27 L28 I61 L317 I321L20-I24 HydrophobicContact CD1-CD1 4.07Å; L20-I24 HydrophobicContact CD1-CG1 4.23Å; L20-I24 HydrophobicContact CD2-CD1 4.4Å; L20-I24 HydrophobicContact CG-CD1 3.87Å; L20-I24 HydrophobicContact CG-CG1 4.46Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 2.82Å; A21-I24 PolarHBondContact O-N 3.26Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.44Å; I24-Q27 PolarHBondContact O-N 2.86Å; I24-Q27 VanDerWaalsContact O-N 3.13Å; I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 PolarHBondContact O-N 2.8Å; I24-I61 HydrophobicContact CB-CD1 4.23Å; I24-I61 HydrophobicContact CD1-CD1 4.08Å; I24-I61 HydrophobicContact CD1-CG2 4.21Å; I24-I61 HydrophobicContact CG2-CD1 3.89Å; I24-L317 HydrophobicContact CD1-CB 3.9Å; I24-L317 HydrophobicContact CD1-CD1 3.72Å; I24-L317 HydrophobicContact CG1-CB 4.15Å; I24-I321 HydrophobicContact CG2-CD1 3.76Å
25M94.9Very high93.9Very high20 Ų2054.1 Ų54.110%0.09931%0.306CS..Hα-helixtrans-63-33.8-178.9-75-57.2-52.800112.6V11 A21 S22 Q27 L28 V30 Q32V11-M25 HydrophobicContact CB-CE 4.37Å; V11-M25 HydrophobicContact CB-SD 3.55Å; V11-M25 VanDerWaalsContact CB-SD 3.55Å; V11-M25 HydrophobicContact CG1-SD 3.51Å; V11-M25 VanDerWaalsContact CG1-SD 3.51Å; V11-M25 HydrophobicContact CG2-SD 3.88Å; A21-M25 WeakPolarHBondContact O-CB 3.2Å; A21-M25 WeakPolarHBondContact O-CG 3.43Å; A21-M25 PolarHBondContact O-N 3.15Å; S22-M25 PolarHBondContact O-N 3.24Å; M25-Q27 PolarHBondContact O-N 2.94Å; M25-Q27 VanDerWaalsContact O-N 3.13Å; M25-L28 PolarHBondContact O-N 3.42Å; M25-L28 HydrophobicContact SD-CD1 4.49Å; M25-V30 HydrophobicContact CE-CG2 4.02Å; M25-V30 WeakPolarHBondContact CE-O 3.49Å; M25-Q32 HydrophobicContact CE-CB 3.87Å; M25-Q32 VanDerWaalsContact CE-N 3.26Å; M25-Q32 HydrophobicContact SD-CB 4.42Å
26S95.3Very high93.9Very high94 Ų9458.2 Ų58.266%0.65731%0.306SS*.THydrogen-bonded Turntrans-63.7-17.2177.672.70000113.8S22 L23 I24S22-S26 PolarHBondContact O-N 2.87Å; L23-S26 PolarHBondContact O-N 3.47Å; L23-S26 PolarHBondContact O-OG 3.41Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.44Å
27Q93Very high93.7Very high80 Ų8059.5 Ų59.537%0.37431%0.313SS..THydrogen-bonded Turntrans-105.9-8.2-178.5-58.9173.919.800113.1I24 M25 S314 S318I24-Q27 PolarHBondContact O-N 2.86Å; I24-Q27 VanDerWaalsContact O-N 3.13Å; M25-Q27 PolarHBondContact O-N 2.94Å; M25-Q27 VanDerWaalsContact O-N 3.13Å; Q27-S314 PolarHBondContact NE2-OG 2.96Å; Q27-S318 PolarHBondContact OE1-OG 3.44Å
28L92.1Very high93.5Very high14 Ų1464.3 Ų64.37%0.07333%0.332CS..SBendtrans-99.1137.9178.3-69174.6000110.5V11 I24 M25 V30 S318 I321 R322V11-L28 HydrophobicContact CG2-CD1 4.33Å; I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.46Å; I24-L28 PolarHBondContact O-N 2.8Å; M25-L28 PolarHBondContact O-N 3.42Å; M25-L28 HydrophobicContact SD-CD1 4.49Å; L28-V30 HydrophobicContact CB-CG2 3.98Å; L28-V30 PolarHBondContact O-N 3.32Å; L28-S318 WeakPolarHBondContact CD2-O 3.24Å; L28-I321 HydrophobicContact CD1-CB 4.39Å; L28-I321 HydrophobicContact CD1-CD1 4.13Å; L28-I321 HydrophobicContact CD1-CG2 3.9Å; L28-I321 HydrophobicContact CD2-CB 4.43Å; L28-I321 HydrophobicContact CD2-CG2 4.17Å; L28-R322 HydrophobicContact CD2-CB 4.33Å
29P87.3Confident93.3Very high107 Ų10765.2 Ų65.270%0.69533%0.332SS*.SBendtrans-80.445.3-179.935.4-37.7000112
30V89.2Confident93.1Very high40 Ų4063 Ų6324%0.24232%0.322CS..SBendtrans-141.1152179.8-68.50000111.6M9 V11 M25 L28M9-V30 HydrophobicContact CB-CG1 4.12Å; M9-V30 HydrophobicContact CE-CB 4.1Å; M9-V30 HydrophobicContact CE-CG1 3.32Å; M9-V30 HydrophobicContact CE-CG2 3.6Å; M9-V30 HydrophobicContact CG-CG1 4.36Å; V11-V30 HydrophobicContact CG2-CG2 3.95Å; M25-V30 HydrophobicContact CE-CG2 4.02Å; M25-V30 WeakPolarHBondContact CE-O 3.49Å; L28-V30 HydrophobicContact CB-CG2 3.98Å; L28-V30 PolarHBondContact O-N 3.32Å
31R90.2Very high92.8Very high167 Ų16769.7 Ų69.763%0.6337%0.365SS*.PPolyproline II helixtrans-80.4140.6169.6-169.3-177.364.382.2-0.5109.7C33 E51R31-C33 PolarHBondContact O-N 3.12Å; R31-E51 IonicContact CZ-OE2 3.62Å; R31-E51 IonicContact NH1-OE2 3.1Å; R31-E51 IonicContact NH2-OE1 3.77Å; R31-E51 IonicContact NH2-OE2 3.3Å; R31-E51 PolarHBondContact NH2-OE2 3.2Å
32Q92.6Very high92.6Very high83 Ų8373.5 Ų73.539%0.38839%0.391SS..BIsolated β-bridgetrans-61134.6169.9-176.4179.6-41.300109.8V13 M25V13-Q32 VanDerWaalsContact CG2-CD 3.49Å; V13-Q32 HydrophobicContact CG2-CG 3.99Å; M25-Q32 HydrophobicContact CE-CB 3.87Å; M25-Q32 VanDerWaalsContact CE-N 3.26Å; M25-Q32 HydrophobicContact SD-CB 4.42Å
33C93.2Very high92.2Very high3 Ų379.9 Ų79.92%0.0240%0.403CS..PPolyproline II helixtrans-65.5138.1174.5-70.30000110.2G10 V11 L12 R31 A35 E51G10-C33 WeakPolarHBondContact CA-SG 3.33Å; V11-C33 WeakPolarHBondContact O-CB 3.44Å; V11-C33 PolarHBondContact O-N 2.84Å; L12-C33 HydrophobicContact CD2-CB 3.5Å; L12-C33 VanDerWaalsContact CD2-CB 3.5Å; L12-C33 HydrophobicContact CG-CB 4.15Å; R31-C33 PolarHBondContact O-N 3.12Å; C33-A35 PolarHBondContact O-N 2.87Å; C33-E51 HydrophobicContact CB-CG 4.29Å; C33-E51 PolarHBondContact SG-OE1 2.81Å
34E92.5Very high92.1Very high99 Ų9983 Ų8346%0.46342%0.416SS..  trans-75.5113.9176.6-170-178.2167.300110.4K50 E51E34-K50 HydrophobicContact CB-CB 4.11Å; E34-K50 HydrophobicContact CG-CB 3.92Å; E34-K50 HydrophobicContact CG-CG 4.02Å; E34-K50 PolarHBondContact O-N 3.45Å; E34-E51 PolarHBondContact N-OE2 3.25Å
35A92.8Very high91.9Very high31 Ų3184.4 Ų84.426%0.25642%0.424SS..EExtended strand (participates in β ladder)trans-140.2147174.200000110.5L12 C33 D48 I49L12-A35 HydrophobicContact CD2-CB 3.64Å; C33-A35 PolarHBondContact O-N 2.87Å; A35-D48 CarbonylContact C-O 3.53Å; A35-D48 WeakPolarHBondContact CA-O 3.44Å; A35-I49 HydrophobicContact CB-CG1 4.26Å
36R92Very high91.9Very high137 Ų13787.2 Ų87.252%0.51744%0.436SS..EExtended strand (participates in β ladder)trans-110.1122.8172.6-63.4-175.5-175.3177.6-0.2108.3Y38 V47 D48R36-Y38 HydrophobicContact CB-CD1 4.26Å; R36-Y38 HydrophobicContact CB-CE1 4.34Å; R36-V47 WeakPolarHBondContact O-CA 3.5Å; R36-D48 HydrophobicContact CB-CB 4.48Å; R36-D48 PolarHBondContact N-O 2.91Å; R36-D48 PolarHBondContact O-N 3.03Å
37V91.9Very high91.8Very high38 Ų3883.3 Ų83.323%0.2341%0.409CS..EExtended strand (participates in β ladder)trans-124120.1175.1-174.50000106.9T45 F46 V47 E74 M78V37-T45 HydrophobicContact CG1-CG2 4.4Å; V37-F46 WeakPolarHBondContact CA-O 3.38Å; V37-V47 HydrophobicContact CG1-CG2 4.13Å; V37-V47 HydrophobicContact CG2-CG1 4.31Å; V37-V47 HydrophobicContact CG2-CG2 4.26Å; V37-E74 HydrophobicContact CG1-CG 3.46Å; V37-E74 VanDerWaalsContact CG1-CG 3.46Å; V37-E74 WeakPolarHBondContact CG1-OE2 3.23Å; V37-M78 HydrophobicContact CG2-CE 4.29Å; V37-M78 HydrophobicContact CG2-CG 4.49Å; V37-M78 HydrophobicContact CG2-SD 4.22Å
38Y90.6Very high91.9Very high113 Ų11382 Ų8244%0.44340%0.404SS..EExtended strand (participates in β ladder)trans-154.3156.2-178.161.4-85.1000111.5R36 Q40 F46R36-Y38 HydrophobicContact CB-CD1 4.26Å; R36-Y38 HydrophobicContact CB-CE1 4.34Å; Y38-Q40 HydrophobicContact CE2-CG 4.3Å; Y38-F46 HydrophobicContact CE1-CB 4.45Å; Y38-F46 AromaticContact CE1-CD1 3.6Å; Y38-F46 HydrophobicContact CE1-CD1 3.6Å; Y38-F46 HydrophobicContact CE1-CE1 4.34Å; Y38-F46 HydrophobicContact CE1-CG 4.45Å; Y38-F46 HydrophobicContact CE2-CB 4.23Å; Y38-F46 HydrophobicContact CE2-CD1 4.38Å; Y38-F46 AromaticContact CZ-CD1 3.5Å; Y38-F46 VanDerWaalsContact CZ-CD1 3.5Å; Y38-F46 PolarHBondContact N-O 3.37Å; Y38-F46 VanDerWaalsContact N-O 3.08Å; Y38-F46 PolarHBondContact O-N 3.08Å; Y38-F46 VanDerWaalsContact OH-CD1 3.24Å; Y38-F46 WeakPolarHBondContact OH-CD1 3.41Å
39L90.4Very high92Very high103 Ų10382.5 Ų82.554%0.53941%0.406SS..EExtended strand (participates in β ladder)trans-86127.7174.4-163.474.2000109.6R43L39-R43 WeakPolarHBondContact CD1-O 3.24Å; L39-R43 HydrophobicContact CD2-CB 4.3Å; L39-R43 HydrophobicContact CD2-CG 4.32Å
40Q91.9Very high92.4Very high55 Ų5581.9 Ų81.926%0.25739%0.393SS..  trans-72.3161.3172.7-68-177.3-26.500111Y38 C42 R43 E44 F46Y38-Q40 HydrophobicContact CE2-CG 4.3Å; Q40-C42 PolarHBondContact O-N 2.59Å; Q40-C42 VanDerWaalsContact O-N 3.12Å; Q40-R43 WeakPolarHBondContact O-CA 3.34Å; Q40-R43 PolarHBondContact O-N 2.99Å; Q40-E44 WeakPolarHBondContact CB-O 3.48Å; Q40-E44 PolarHBondContact N-O 2.94Å; Q40-F46 HydrophobicContact CG-CB 3.97Å
41P91.4Very high92.5Very high141 Ų14181.8 Ų81.892%0.91639%0.39SS*.THydrogen-bonded Turntrans-55.4-29.6176.4-27.736.1000114.4R43P41-R43 PolarHBondContact O-N 3.3Å
42C92.6Very high92.6Very high81 Ų8177.9 Ų77.955%0.54739%0.388SS..THydrogen-bonded Turntrans-76.11.6174.256.90000114.4Q40 E44Q40-C42 PolarHBondContact O-N 2.59Å; Q40-C42 VanDerWaalsContact O-N 3.12Å; C42-E44 VanDerWaalsContact C-N 3.31Å
43R88.3Confident92.7Very high210 Ų21074 Ų7479%0.79237%0.37SS*.SBendtrans68.520-174.2-55.1-175.3170.8-169.6-2.8115.6L39 Q40 P41L39-R43 WeakPolarHBondContact CD1-O 3.24Å; L39-R43 HydrophobicContact CD2-CB 4.3Å; L39-R43 HydrophobicContact CD2-CG 4.32Å; Q40-R43 WeakPolarHBondContact O-CA 3.34Å; Q40-R43 PolarHBondContact O-N 2.99Å; P41-R43 PolarHBondContact O-N 3.3Å
44E93.9Very high92.7Very high127 Ų12782.2 Ų82.259%0.59340%0.4SS*.  trans-85.9141.8168-65.1-176.8174.800110.7Q40 C42Q40-E44 WeakPolarHBondContact CB-O 3.48Å; Q40-E44 PolarHBondContact N-O 2.94Å; C42-E44 VanDerWaalsContact C-N 3.31Å
45T93.5Very high92.8Very high29 Ų2981.9 Ų81.918%0.17840%0.402CS..EExtended strand (participates in β ladder)trans-83128.1176.9-56.20000110V37 E74 I77V37-T45 HydrophobicContact CG1-CG2 4.4Å; T45-E74 HydrophobicContact CG2-CB 3.96Å; T45-E74 HydrophobicContact CG2-CG 3.9Å; T45-I77 HydrophobicContact CG2-CD1 4.28Å
46F94.4Very high92.8Very high79 Ų7984.7 Ų84.735%0.34641%0.406SS..EExtended strand (participates in β ladder)trans-114.6135.7176.6-168.2-95.1000110.8V37 Y38 Q40 D48V37-F46 WeakPolarHBondContact CA-O 3.38Å; Y38-F46 HydrophobicContact CE1-CB 4.45Å; Y38-F46 AromaticContact CE1-CD1 3.6Å; Y38-F46 HydrophobicContact CE1-CD1 3.6Å; Y38-F46 HydrophobicContact CE1-CE1 4.34Å; Y38-F46 HydrophobicContact CE1-CG 4.45Å; Y38-F46 HydrophobicContact CE2-CB 4.23Å; Y38-F46 HydrophobicContact CE2-CD1 4.38Å; Y38-F46 AromaticContact CZ-CD1 3.5Å; Y38-F46 VanDerWaalsContact CZ-CD1 3.5Å; Y38-F46 PolarHBondContact N-O 3.37Å; Y38-F46 VanDerWaalsContact N-O 3.08Å; Y38-F46 PolarHBondContact O-N 3.08Å; Y38-F46 VanDerWaalsContact OH-CD1 3.24Å; Y38-F46 WeakPolarHBondContact OH-CD1 3.41Å; Q40-F46 HydrophobicContact CG-CB 3.97Å; F46-D48 HydrophobicContact CD1-CB 4.26Å; F46-D48 HydrophobicContact CE1-CB 3.75Å
47V94.8Very high93Very high13 Ų1379.2 Ų79.28%0.07939%0.386CS..EExtended strand (participates in β ladder)trans-128.2125.4-179.6177.30000109.2R36 V37 I49 I77 M78R36-V47 WeakPolarHBondContact O-CA 3.5Å; V37-V47 HydrophobicContact CG1-CG2 4.13Å; V37-V47 HydrophobicContact CG2-CG1 4.31Å; V37-V47 HydrophobicContact CG2-CG2 4.26Å; V47-I49 HydrophobicContact CG1-CG1 4.47Å; V47-I77 HydrophobicContact CB-CG2 3.88Å; V47-I77 HydrophobicContact CG2-CB 4.15Å; V47-I77 HydrophobicContact CG2-CG2 3.58Å; V47-M78 HydrophobicContact CB-CG 4.46Å; V47-M78 HydrophobicContact CG1-CG 3.87Å; V47-M78 HydrophobicContact CG2-CG 3.74Å
48D94.7Very high93.2Very high51 Ų5177.4 Ų77.427%0.27338%0.375SS..EExtended strand (participates in β ladder)trans-134.7111-178.4-177.98.6000110.7A35 R36 F46 K50A35-D48 CarbonylContact C-O 3.53Å; A35-D48 WeakPolarHBondContact CA-O 3.44Å; R36-D48 HydrophobicContact CB-CB 4.48Å; R36-D48 PolarHBondContact N-O 2.91Å; R36-D48 PolarHBondContact O-N 3.03Å; F46-D48 HydrophobicContact CD1-CB 4.26Å; F46-D48 HydrophobicContact CE1-CB 3.75Å; D48-K50 IonicContact OD1-NZ 3.92Å; D48-K50 VanDerWaalsContact OD2-CE 3.25Å; D48-K50 WeakPolarHBondContact OD2-CE 3.44Å; D48-K50 IonicContact OD2-NZ 2.7Å; D48-K50 PolarHBondContact OD2-NZ 3.25Å
49I94.8Very high93.6Very high25 Ų2572 Ų7213%0.12835%0.354CS..EExtended strand (participates in β ladder)trans-92.7118.9-179.9-54.8178.3000107.8L12 A35 V47 E51 I53 T81L12-I49 HydrophobicContact CD1-CD1 3.81Å; L12-I49 HydrophobicContact CD2-CG2 4.47Å; A35-I49 HydrophobicContact CB-CG1 4.26Å; V47-I49 HydrophobicContact CG1-CG1 4.47Å; I49-E51 HydrophobicContact CG2-CG 4.4Å; I49-E51 WeakPolarHBondContact CG2-O 3.25Å; I49-I53 HydrophobicContact CD1-CD1 3.62Å; I49-I53 HydrophobicContact CG2-CG2 4.09Å; I49-T81 HydrophobicContact CD1-CG2 3.74Å; I49-T81 HydrophobicContact CG1-CG2 4.05Å
50K94.3Very high94Very high95 Ų9567.1 Ų67.141%0.41333%0.329SS..  trans-83-14.8-172.1-63.2-54-166.2-178.70114.2E34 D48E34-K50 HydrophobicContact CB-CB 4.11Å; E34-K50 HydrophobicContact CG-CB 3.92Å; E34-K50 HydrophobicContact CG-CG 4.02Å; E34-K50 PolarHBondContact O-N 3.45Å; D48-K50 IonicContact OD1-NZ 3.92Å; D48-K50 VanDerWaalsContact OD2-CE 3.25Å; D48-K50 WeakPolarHBondContact OD2-CE 3.44Å; D48-K50 IonicContact OD2-NZ 2.7Å; D48-K50 PolarHBondContact OD2-NZ 3.25Å
51E91.9Very high94.3Very high38 Ų3864.9 Ų64.918%0.17832%0.318CS..SBendtrans-118.1154.9-178.561.9179.6-114.100112.8R31 C33 E34 I49 I53 R56R31-E51 IonicContact CZ-OE2 3.62Å; R31-E51 IonicContact NH1-OE2 3.1Å; R31-E51 IonicContact NH2-OE1 3.77Å; R31-E51 IonicContact NH2-OE2 3.3Å; R31-E51 PolarHBondContact NH2-OE2 3.2Å; C33-E51 HydrophobicContact CB-CG 4.29Å; C33-E51 PolarHBondContact SG-OE1 2.81Å; E34-E51 PolarHBondContact N-OE2 3.25Å; I49-E51 HydrophobicContact CG2-CG 4.4Å; I49-E51 WeakPolarHBondContact CG2-O 3.25Å; E51-I53 PolarHBondContact O-N 2.87Å; E51-R56 IonicContact OE1-NH1 2.59Å; E51-R56 PolarHBondContact OE1-NH1 3.45Å
52S92.2Very high94.5Very high85 Ų8558.1 Ų58.159%0.59428%0.275SS*.  trans-70.9119.3174.9-177.10000110.9
53I93.6Very high94.7Very high2 Ų254.4 Ų54.41%0.0125%0.249CC..  trans-103.613.5174.255.7166.6000112.6I49 E51 N55 R56 I58 C82I49-I53 HydrophobicContact CD1-CD1 3.62Å; I49-I53 HydrophobicContact CG2-CG2 4.09Å; E51-I53 PolarHBondContact O-N 2.87Å; I53-N55 PolarHBondContact O-N 3.42Å; I53-R56 WeakPolarHBondContact O-CB 3.26Å; I53-R56 PolarHBondContact O-N 2.98Å; I53-I58 HydrophobicContact CB-CD1 3.83Å; I53-I58 HydrophobicContact CB-CG1 4.18Å; I53-I58 HydrophobicContact CD1-CG1 4.47Å; I53-I58 HydrophobicContact CG2-CD1 3.82Å; I53-C82 HydrophobicContact CD1-CB 3.93Å
54R93.9Very high95Very high174 Ų17444.4 Ų44.466%0.65721%0.211SC*.THydrogen-bonded Turntrans-61.9133.3-177.3-176.4173.3-175.3123.4-0.7111.3R56 S86R54-R56 PolarHBondContact O-N 3.48Å; R54-R56 VanDerWaalsContact O-N 3.15Å; R54-S86 WeakPolarHBondContact CA-O 3.4Å
55N93.8Very high94.9Very high93 Ų9339.1 Ų39.150%0.49719%0.188SC..THydrogen-bonded Turntrans55.125-179.4-166.631000114.1I53 S86 R88I53-N55 PolarHBondContact O-N 3.42Å; N55-S86 PolarHBondContact N-O 2.78Å; N55-R88 PolarHBondContact ND2-NH2 3.13Å; N55-R88 VanDerWaalsContact O-CZ 3.29Å; N55-R88 PolarHBondContact O-NE 2.79Å; N55-R88 PolarHBondContact O-NH2 2.88Å; N55-R88 PolarHBondContact OD1-NE 3.39Å; N55-R88 PolarHBondContact OD1-NH2 3.32Å
56R93.6Very high94.6Very high90 Ų9042.3 Ų42.334%0.3420%0.201SC..  trans-101.9155.3173.4-65.8-169.2-176176.20.3111.5G8 E51 I53 R54 I58 R88G8-R56 WeakPolarHBondContact O-CA 3.28Å; G8-R56 VanDerWaalsContact O-CB 3.23Å; G8-R56 WeakPolarHBondContact O-CB 3.31Å; E51-R56 IonicContact OE1-NH1 2.59Å; E51-R56 PolarHBondContact OE1-NH1 3.45Å; I53-R56 WeakPolarHBondContact O-CB 3.26Å; I53-R56 PolarHBondContact O-N 2.98Å; R54-R56 PolarHBondContact O-N 3.48Å; R54-R56 VanDerWaalsContact O-N 3.15Å; R56-I58 HydrophobicContact CB-CD1 3.81Å; R56-I58 HydrophobicContact CB-CG1 4.45Å; R56-R88 WeakPolarHBondContact O-CB 3.32Å; R56-R88 PolarHBondContact O-N 2.83Å
57E95.7Very high94.4Very high21 Ų2143.7 Ų43.710%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-91.2113.2170.5-58.2-171-159.800108.4G8 M9 G10 R88 S89 F325G8-E57 PolarHBondContact O-N 3Å; M9-E57 WeakPolarHBondContact CA-O 3.32Å; G10-E57 PolarHBondContact N-O 3.48Å; E57-R88 IonicContact OE1-NH1 3.04Å; E57-R88 PolarHBondContact OE1-NH1 2.9Å; E57-S89 WeakPolarHBondContact CB-OG 3.48Å; E57-S89 WeakPolarHBondContact CG-OG 3.39Å; E57-F325 HydrophobicContact CB-CD2 4.1Å; E57-F325 HydrophobicContact CB-CE2 4.05Å; E57-F325 HydrophobicContact CG-CE2 4.35Å
58I97.3Very high94.3Very high0 Ų044.7 Ų44.70%022%0.218CC..EExtended strand (participates in β ladder)trans-104.8128.9-170.8-57.8-57.4000110.1G10 L12 I53 R56 I60 A87 S89 V90 T91G10-I58 CarbonylContact O-C 3.53Å; G10-I58 WeakPolarHBondContact O-CA 3.44Å; L12-I58 HydrophobicContact CD1-CG2 3.63Å; L12-I58 HydrophobicContact CG-CG2 4.04Å; I53-I58 HydrophobicContact CB-CD1 3.83Å; I53-I58 HydrophobicContact CB-CG1 4.18Å; I53-I58 HydrophobicContact CD1-CG1 4.47Å; I53-I58 HydrophobicContact CG2-CD1 3.82Å; R56-I58 HydrophobicContact CB-CD1 3.81Å; R56-I58 HydrophobicContact CB-CG1 4.45Å; I58-I60 HydrophobicContact CG2-CG1 4.18Å; I58-A87 HydrophobicContact CG1-CB 3.91Å; I58-S89 PolarHBondContact N-O 3.09Å; I58-V90 CarbonylContact O-C 3.44Å; I58-V90 WeakPolarHBondContact O-CA 3.43Å; I58-T91 PolarHBondContact O-N 3.22Å
59F98.3Very high94.3Very high1 Ų147.5 Ų47.50%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-103.4127.1169.7-65.8-96.9000108.8M9 G10 V11 L12 T91 V93 I321 T324 F325M9-F59 HydrophobicContact CG-CD2 3.91Å; M9-F59 HydrophobicContact CG-CE2 3.96Å; M9-F59 HydrophobicContact SD-CD2 4.06Å; M9-F59 HydrophobicContact SD-CE2 3.83Å; G10-F59 PolarHBondContact O-N 2.92Å; V11-F59 CarbonylContact C-O 3.55Å; V11-F59 WeakPolarHBondContact CA-O 3.39Å; V11-F59 HydrophobicContact CG2-CB 4.38Å; L12-F59 PolarHBondContact N-O 3.46Å; F59-T91 CarbonylContact C-O 3.42Å; F59-T91 VanDerWaalsContact CA-O 3.28Å; F59-T91 WeakPolarHBondContact CA-O 3.46Å; F59-T91 HydrophobicContact CD1-CG2 3.71Å; F59-T91 HydrophobicContact CE1-CG2 3.7Å; F59-V93 HydrophobicContact CD1-CG2 4.13Å; F59-I321 HydrophobicContact CD1-CB 4.33Å; F59-I321 HydrophobicContact CD1-CG1 4.01Å; F59-I321 HydrophobicContact CD1-CG2 3.8Å; F59-I321 HydrophobicContact CD2-CG2 4.1Å; F59-I321 HydrophobicContact CE1-CB 4.36Å; F59-I321 HydrophobicContact CE1-CG1 4.42Å; F59-I321 HydrophobicContact CE1-CG2 3.9Å; F59-I321 HydrophobicContact CE2-CG2 4.2Å; F59-I321 HydrophobicContact CG-CG2 3.9Å; F59-I321 HydrophobicContact CZ-CG2 4.11Å; F59-T324 HydrophobicContact CE1-CG2 3.97Å; F59-T324 HydrophobicContact CZ-CG2 4.19Å; F59-F325 HydrophobicContact CE2-CB 4.01Å; F59-F325 HydrophobicContact CE2-CD2 4.13Å; F59-F325 HydrophobicContact CE2-CG 4.47Å; F59-F325 HydrophobicContact CZ-CB 3.89Å
60I98.5Very high94.3Very high0 Ų049.4 Ų49.40%025%0.249CC..EExtended strand (participates in β ladder)trans-108113.1175.6-57.7174.3000107.7L12 I58 L75 M78 I79 V90 T91 V93L12-I60 HydrophobicContact CB-CG1 4.28Å; L12-I60 HydrophobicContact CD1-CG1 4.37Å; L12-I60 WeakPolarHBondContact O-CA 3.5Å; I58-I60 HydrophobicContact CG2-CG1 4.18Å; I60-L75 HydrophobicContact CB-CD1 4.38Å; I60-L75 HydrophobicContact CG2-CD1 3.75Å; I60-M78 HydrophobicContact CD1-CB 4.08Å; I60-M78 HydrophobicContact CG2-CB 4.45Å; I60-M78 HydrophobicContact CG2-CE 3.85Å; I60-M78 HydrophobicContact CG2-SD 4.11Å; I60-I79 HydrophobicContact CD1-CB 4.36Å; I60-I79 HydrophobicContact CD1-CG1 3.73Å; I60-V90 HydrophobicContact CD1-CG1 3.57Å; I60-V90 HydrophobicContact CG1-CG1 4.13Å; I60-T91 PolarHBondContact N-O 3.21Å; I60-V93 PolarHBondContact O-N 3.16Å
61I98.3Very high94.4Very high7 Ų745.4 Ų45.44%0.03623%0.232CC..EExtended strand (participates in β ladder)trans-89.4113.4175.5-56.9173.6000108V11 L12 G14 A21 I24 V93 I321V11-I61 HydrophobicContact CG1-CD1 3.62Å; V11-I61 HydrophobicContact CG1-CG1 4.01Å; L12-I61 PolarHBondContact O-N 3.05Å; G14-I61 PolarHBondContact N-O 2.9Å; A21-I61 HydrophobicContact CB-CB 4.46Å; A21-I61 HydrophobicContact CB-CD1 4.36Å; A21-I61 HydrophobicContact CB-CG2 4.08Å; I24-I61 HydrophobicContact CB-CD1 4.23Å; I24-I61 HydrophobicContact CD1-CD1 4.08Å; I24-I61 HydrophobicContact CD1-CG2 4.21Å; I24-I61 HydrophobicContact CG2-CD1 3.89Å; I61-V93 HydrophobicContact CG1-CB 4.29Å; I61-I321 HydrophobicContact CD1-CD1 4.38Å
62Q97.1Very high94.7Very high0 Ų044 Ų440%023%0.225CC..  trans-151.4130.9176.2-176.980.1-30.800109.3G14 S16 D71 E74 L75 V93 M94G14-Q62 VanDerWaalsContact C-OE1 3.28Å; S16-Q62 VanDerWaalsContact CB-OE1 3.27Å; S16-Q62 PolarHBondContact OG-OE1 2.88Å; Q62-D71 PolarHBondContact NE2-O 2.96Å; Q62-D71 VanDerWaalsContact NE2-O 3.14Å; Q62-E74 PolarHBondContact NE2-OE1 3.41Å; Q62-E74 PolarHBondContact OE1-OE1 3.01Å; Q62-L75 HydrophobicContact CB-CD1 4.17Å; Q62-L75 HydrophobicContact CG-CB 4.2Å; Q62-V93 PolarHBondContact N-O 3.09Å; Q62-V93 VanDerWaalsContact O-O 3.08Å; Q62-M94 HydrophobicContact CB-CE 4.48Å; Q62-M94 HydrophobicContact CG-CE 4.23Å; Q62-M94 WeakPolarHBondContact O-CA 3.34Å; Q62-M94 VanDerWaalsContact O-CB 3.29Å; Q62-M94 WeakPolarHBondContact O-CB 3.48Å; Q62-M94 WeakPolarHBondContact O-CG 3.28Å
63T96.7Very high94.9Very high2 Ų244.7 Ų44.71%0.01222%0.22CC..  trans-112.2163.5172.7-159.70000110.5S16 H17 T65 Y96 T295S16-T63 WeakPolarHBondContact CB-O 3.36Å; S16-T63 PolarHBondContact OG-N 3.48Å; S16-T63 PolarHBondContact OG-O 3.13Å; H17-T63 HydrophobicContact CB-CG2 3.82Å; T63-T65 HydrophobicContact CG2-CG2 4.34Å; T63-Y96 PolarHBondContact OG1-N 3.32Å; T63-T295 VanDerWaalsContact CB-O 3.3Å; T63-T295 WeakPolarHBondContact CB-O 3.5Å; T63-T295 VanDerWaalsContact CG2-O 3.29Å; T63-T295 WeakPolarHBondContact CG2-O 3.24Å; T63-T295 PolarHBondContact OG1-O 2.78Å
64A92.9Very high95.1Very high0 Ų045.8 Ų45.80%023%0.225CC..  trans-87124.6170.200000110.3V68 Y96 P98A64-V68 HydrophobicContact CB-CG1 4.41Å; A64-Y96 HydrophobicContact CB-CD1 3.81Å; A64-Y96 HydrophobicContact CB-CE1 4.13Å; A64-Y96 WeakPolarHBondContact O-CD1 3.23Å; A64-P98 HydrophobicContact CB-CB 3.86Å; A64-P98 HydrophobicContact CB-CG 3.63Å
65T92.8Very high95.3Very high17 Ų1737.5 Ų37.510%0.10419%0.194CC..  trans-99.9-157.6175.772.50000110.2S16 T63 N67 V68 D71 P297S16-T65 WeakPolarHBondContact O-CG2 3.3Å; T63-T65 HydrophobicContact CG2-CG2 4.34Å; T65-N67 PolarHBondContact O-N 2.9Å; T65-N67 PolarHBondContact OG1-N 3.16Å; T65-N67 VanDerWaalsContact OG1-N 3.1Å; T65-V68 WeakPolarHBondContact O-CG2 3.44Å; T65-D71 WeakPolarHBondContact CA-OD2 3.33Å; T65-D71 VanDerWaalsContact CB-OD2 3.32Å; T65-D71 WeakPolarHBondContact CB-OD2 3.44Å; T65-D71 PolarHBondContact N-OD2 3.31Å; T65-D71 PolarHBondContact OG1-OD2 3.33Å; T65-P297 HydrophobicContact CG2-CG 3.84Å
66Q86.9Confident95.5Very high95 Ų9534 Ų3444%0.44418%0.175SC..THydrogen-bonded Turntrans-67.2-20.9169.7-59.1-175.36.200112.5V68 I273 T275Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.28Å; Q66-I273 HydrophobicContact CG-CG2 4.47Å; Q66-T275 HydrophobicContact CG-CG2 4.25Å
67N91Very high95.8Very high109 Ų10932.1 Ų32.158%0.58317%0.171SC*.THydrogen-bonded Turntrans-94.847.3175.6-65.7-49.4000112.1T65 N69 S70 D71T65-N67 PolarHBondContact O-N 2.9Å; T65-N67 PolarHBondContact OG1-N 3.16Å; T65-N67 VanDerWaalsContact OG1-N 3.1Å; N67-N69 VanDerWaalsContact C-N 3.31Å; N67-N69 PolarHBondContact O-N 2.72Å; N67-N69 VanDerWaalsContact O-N 3.09Å; N67-S70 WeakPolarHBondContact O-CB 3.26Å; N67-S70 PolarHBondContact O-N 3.32Å; N67-D71 PolarHBondContact O-N 2.81Å
68V92.7Very high95.9Very high34 Ų3431.1 Ų31.121%0.20617%0.167CC..Hα-helixtrans-43.6-51.6-170.5-178.20000113.4A64 T65 Q66 S70 D71 I72 P98 Y99A64-V68 HydrophobicContact CB-CG1 4.41Å; T65-V68 WeakPolarHBondContact O-CG2 3.44Å; Q66-V68 VanDerWaalsContact C-N 3.3Å; Q66-V68 PolarHBondContact O-N 3.28Å; V68-S70 PolarHBondContact O-N 3.2Å; V68-D71 PolarHBondContact O-N 2.88Å; V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.4Å; V68-I72 PolarHBondContact O-N 3.12Å; V68-P98 HydrophobicContact CG1-CB 3.5Å; V68-P98 HydrophobicContact CG1-CG 3.67Å; V68-Y99 HydrophobicContact CG1-CD2 4.3Å; V68-Y99 HydrophobicContact CG1-CE2 3.42Å; V68-Y99 VanDerWaalsContact CG1-CE2 3.42Å
69N95Very high96Very high110 Ų11031.1 Ų31.159%0.58817%0.167SC*.Hα-helixtrans-63.8-40.8-177.1-72.6-38.6000112.7N67 I72 M73 Y99N67-N69 VanDerWaalsContact C-N 3.31Å; N67-N69 PolarHBondContact O-N 2.72Å; N67-N69 VanDerWaalsContact O-N 3.09Å; N69-I72 PolarHBondContact O-N 3.06Å; N69-M73 WeakPolarHBondContact O-CG 3.44Å; N69-M73 PolarHBondContact O-N 3.33Å; N69-Y99 PolarHBondContact OD1-OH 3.44Å
70S94.6Very high96Very high65 Ų6537.6 Ų37.646%0.45519%0.192SC..Hα-helixtrans-67.3-43.1178.8-56.30000110.7N67 V68 I72 M73 E74N67-S70 WeakPolarHBondContact O-CB 3.26Å; N67-S70 PolarHBondContact O-N 3.32Å; V68-S70 PolarHBondContact O-N 3.2Å; S70-I72 VanDerWaalsContact C-N 3.29Å; S70-I72 PolarHBondContact O-N 2.99Å; S70-M73 PolarHBondContact O-N 3.2Å; S70-E74 VanDerWaalsContact O-CB 3.32Å; S70-E74 WeakPolarHBondContact O-CB 3.42Å; S70-E74 PolarHBondContact O-N 3.42Å
71D96.3Very high96Very high11 Ų1139 Ų396%0.05920%0.201CC..Hα-helixtrans-62.5-38.4178.5-60.6-28.4000111.6Q62 T65 N67 V68 L75Q62-D71 PolarHBondContact NE2-O 2.96Å; Q62-D71 VanDerWaalsContact NE2-O 3.14Å; T65-D71 WeakPolarHBondContact CA-OD2 3.33Å; T65-D71 VanDerWaalsContact CB-OD2 3.32Å; T65-D71 WeakPolarHBondContact CB-OD2 3.44Å; T65-D71 PolarHBondContact N-OD2 3.31Å; T65-D71 PolarHBondContact OG1-OD2 3.33Å; N67-D71 PolarHBondContact O-N 2.81Å; V68-D71 PolarHBondContact O-N 2.88Å; D71-L75 WeakPolarHBondContact O-CB 3.38Å; D71-L75 PolarHBondContact O-N 3.31Å
72I97.5Very high95.9Very high8 Ų838.7 Ų38.74%0.04120%0.199CC..Hα-helixtrans-67.5-47174.2-68.3-59.6000111.2V68 N69 S70 E74 L75 L76 M94 P98 L116V68-I72 VanDerWaalsContact O-CG1 3.27Å; V68-I72 WeakPolarHBondContact O-CG1 3.4Å; V68-I72 PolarHBondContact O-N 3.12Å; N69-I72 PolarHBondContact O-N 3.06Å; S70-I72 VanDerWaalsContact C-N 3.29Å; S70-I72 PolarHBondContact O-N 2.99Å; I72-E74 VanDerWaalsContact C-N 3.31Å; I72-E74 PolarHBondContact O-N 3.3Å; I72-L75 WeakPolarHBondContact O-CB 3.48Å; I72-L75 PolarHBondContact O-N 2.98Å; I72-L76 HydrophobicContact CG2-CD1 3.99Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 3.44Å; I72-M94 HydrophobicContact CD1-CE 3.97Å; I72-M94 HydrophobicContact CD1-SD 4.32Å; I72-P98 HydrophobicContact CD1-CG 4.05Å; I72-P98 HydrophobicContact CG1-CG 4.35Å; I72-L116 HydrophobicContact CD1-CD1 4.48Å; I72-L116 HydrophobicContact CD1-CD2 4.28Å; I72-L116 HydrophobicContact CG1-CD2 4.19Å; I72-L116 HydrophobicContact CG2-CD2 3.63Å
73M97.2Very high95.9Very high100 Ų10043.8 Ų43.849%0.49322%0.221SC..Hα-helixtrans-61.7-42.4178.8-76.6-56.5-58.600111.7N69 S70 L76 I77N69-M73 WeakPolarHBondContact O-CG 3.44Å; N69-M73 PolarHBondContact O-N 3.33Å; S70-M73 PolarHBondContact O-N 3.2Å; M73-L76 PolarHBondContact O-N 2.89Å; M73-L76 HydrophobicContact SD-CD1 4.3Å; M73-I77 WeakPolarHBondContact O-CD1 3.33Å; M73-I77 VanDerWaalsContact O-CG1 3.28Å; M73-I77 WeakPolarHBondContact O-CG1 3.37Å; M73-I77 PolarHBondContact O-N 3.02Å
74E97.4Very high96Very high24 Ų2447.6 Ų47.611%0.11224%0.244CC..Hα-helixtrans-58.1-49.7173.8-174.2179.7100.700111.7G14 G15 V37 T45 Q62 S70 I72 L76 I77 M78G14-E74 WeakPolarHBondContact CA-OE1 3.49Å; G15-E74 PolarHBondContact N-OE1 3.47Å; V37-E74 HydrophobicContact CG1-CG 3.46Å; V37-E74 VanDerWaalsContact CG1-CG 3.46Å; V37-E74 WeakPolarHBondContact CG1-OE2 3.23Å; T45-E74 HydrophobicContact CG2-CB 3.96Å; T45-E74 HydrophobicContact CG2-CG 3.9Å; Q62-E74 PolarHBondContact NE2-OE1 3.41Å; Q62-E74 PolarHBondContact OE1-OE1 3.01Å; S70-E74 VanDerWaalsContact O-CB 3.32Å; S70-E74 WeakPolarHBondContact O-CB 3.42Å; S70-E74 PolarHBondContact O-N 3.42Å; I72-E74 VanDerWaalsContact C-N 3.31Å; I72-E74 PolarHBondContact O-N 3.3Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.72Å; E74-I77 PolarHBondContact O-N 3.45Å; E74-M78 HydrophobicContact CG-SD 4.24Å; E74-M78 VanDerWaalsContact O-CG 3.31Å; E74-M78 WeakPolarHBondContact O-CG 3.36Å; E74-M78 PolarHBondContact O-N 2.86Å
75L98.3Very high96.1Very high0 Ų049.9 Ų49.90%026%0.26CS..Hα-helixtrans-56-47.4176.2174.761.7000111.9I60 Q62 D71 I72 I77 M78 I79 V92 M94 I120I60-L75 HydrophobicContact CB-CD1 4.38Å; I60-L75 HydrophobicContact CG2-CD1 3.75Å; Q62-L75 HydrophobicContact CB-CD1 4.17Å; Q62-L75 HydrophobicContact CG-CB 4.2Å; D71-L75 WeakPolarHBondContact O-CB 3.38Å; D71-L75 PolarHBondContact O-N 3.31Å; I72-L75 WeakPolarHBondContact O-CB 3.48Å; I72-L75 PolarHBondContact O-N 2.98Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.95Å; L75-M78 PolarHBondContact O-N 3.21Å; L75-I79 HydrophobicContact CD1-CD1 3.77Å; L75-I79 HydrophobicContact CD1-CG1 3.94Å; L75-I79 HydrophobicContact CD2-CD1 4.3Å; L75-I79 HydrophobicContact CG-CD1 3.67Å; L75-I79 HydrophobicContact CG-CG1 4.3Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 3.13Å; L75-V92 HydrophobicContact CD1-CG1 3.9Å; L75-V92 HydrophobicContact CD1-CG2 4.16Å; L75-V92 HydrophobicContact CD2-CG1 3.77Å; L75-V92 HydrophobicContact CG-CG1 4.46Å; L75-M94 HydrophobicContact CD2-CE 3.43Å; L75-M94 VanDerWaalsContact CD2-CE 3.43Å; L75-M94 HydrophobicContact CD2-SD 4.41Å; L75-I120 HydrophobicContact CD2-CD1 4.41Å; L75-I120 HydrophobicContact CD2-CG1 4.47Å
76L98.7Very high96.3Very high21 Ų2151.7 Ų51.711%0.1127%0.274CS..Hα-helixtrans-61.5-41.6-178.3-68.4173.3000111.4I72 M73 E74 Y80 M119 I120 A123I72-L76 HydrophobicContact CG2-CD1 3.99Å; I72-L76 HydrophobicContact CG2-CG 4.35Å; I72-L76 VanDerWaalsContact O-CG 3.26Å; I72-L76 WeakPolarHBondContact O-CG 3.35Å; I72-L76 PolarHBondContact O-N 3.44Å; M73-L76 PolarHBondContact O-N 2.89Å; M73-L76 HydrophobicContact SD-CD1 4.3Å; E74-L76 VanDerWaalsContact C-N 3.33Å; E74-L76 PolarHBondContact O-N 2.72Å; L76-Y80 WeakPolarHBondContact O-CB 3.46Å; L76-Y80 PolarHBondContact O-N 2.94Å; L76-M119 HydrophobicContact CD1-CB 4.21Å; L76-M119 HydrophobicContact CD1-CE 4.47Å; L76-M119 HydrophobicContact CD1-SD 4.44Å; L76-M119 HydrophobicContact CD2-CB 3.99Å; L76-I120 HydrophobicContact CD2-CG1 4.17Å; L76-A123 HydrophobicContact CD2-CB 3.82Å
77I98.2Very high96.8Very high49 Ų4948 Ų4825%0.25126%0.26SS..Hα-helixtrans-65.6-45.4176.3-64.4163.9000110.1T45 V47 M73 E74 L75 I79 Y80 T81T45-I77 HydrophobicContact CG2-CD1 4.28Å; V47-I77 HydrophobicContact CB-CG2 3.88Å; V47-I77 HydrophobicContact CG2-CB 4.15Å; V47-I77 HydrophobicContact CG2-CG2 3.58Å; M73-I77 WeakPolarHBondContact O-CD1 3.33Å; M73-I77 VanDerWaalsContact O-CG1 3.28Å; M73-I77 WeakPolarHBondContact O-CG1 3.37Å; M73-I77 PolarHBondContact O-N 3.02Å; E74-I77 PolarHBondContact O-N 3.45Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 2.95Å; I77-I79 PolarHBondContact O-N 3.47Å; I77-Y80 PolarHBondContact O-N 3.01Å; I77-T81 WeakPolarHBondContact O-CB 3.2Å; I77-T81 PolarHBondContact O-N 3.37Å; I77-T81 PolarHBondContact O-OG1 3.25Å
78M98.4Very high97Very high1 Ų147.1 Ų47.11%0.00525%0.249CC..Hα-helixtrans-59.2-46177.1-69178.977.400112.5L12 V37 V47 I60 E74 L75 Y80 T81 C82L12-M78 HydrophobicContact CB-CE 3.86Å; V37-M78 HydrophobicContact CG2-CE 4.29Å; V37-M78 HydrophobicContact CG2-CG 4.49Å; V37-M78 HydrophobicContact CG2-SD 4.22Å; V47-M78 HydrophobicContact CB-CG 4.46Å; V47-M78 HydrophobicContact CG1-CG 3.87Å; V47-M78 HydrophobicContact CG2-CG 3.74Å; I60-M78 HydrophobicContact CD1-CB 4.08Å; I60-M78 HydrophobicContact CG2-CB 4.45Å; I60-M78 HydrophobicContact CG2-CE 3.85Å; I60-M78 HydrophobicContact CG2-SD 4.11Å; E74-M78 HydrophobicContact CG-SD 4.24Å; E74-M78 VanDerWaalsContact O-CG 3.31Å; E74-M78 WeakPolarHBondContact O-CG 3.36Å; E74-M78 PolarHBondContact O-N 2.86Å; L75-M78 PolarHBondContact O-N 3.21Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 3.45Å; M78-T81 PolarHBondContact O-N 2.76Å; M78-C82 PolarHBondContact O-N 2.99Å; M78-C82 PolarHBondContact O-SG 3.39Å
79I98.6Very high97.2Very high0 Ų046.5 Ų46.50%025%0.246CC..Hα-helixtrans-59.3-47175.7-66.3162.9000110.1I60 L75 I77 C82 K83 V90 V92 I120 A123 A125I60-I79 HydrophobicContact CD1-CB 4.36Å; I60-I79 HydrophobicContact CD1-CG1 3.73Å; L75-I79 HydrophobicContact CD1-CD1 3.77Å; L75-I79 HydrophobicContact CD1-CG1 3.94Å; L75-I79 HydrophobicContact CD2-CD1 4.3Å; L75-I79 HydrophobicContact CG-CD1 3.67Å; L75-I79 HydrophobicContact CG-CG1 4.3Å; L75-I79 VanDerWaalsContact O-CG1 3.23Å; L75-I79 WeakPolarHBondContact O-CG1 3.32Å; L75-I79 PolarHBondContact O-N 3.13Å; I77-I79 PolarHBondContact O-N 3.47Å; I79-C82 WeakPolarHBondContact O-CB 3.42Å; I79-C82 PolarHBondContact O-N 3.27Å; I79-K83 PolarHBondContact O-N 3.01Å; I79-V90 HydrophobicContact CG1-CG1 4.27Å; I79-V90 HydrophobicContact CG2-CG1 4.28Å; I79-V92 HydrophobicContact CD1-CG2 3.56Å; I79-V92 HydrophobicContact CG1-CG2 3.93Å; I79-I120 HydrophobicContact CD1-CG2 4.23Å; I79-A123 HydrophobicContact CB-CB 4.07Å; I79-A123 HydrophobicContact CG2-CB 3.79Å; I79-A125 HydrophobicContact CD1-CB 4.34Å; I79-A125 HydrophobicContact CG2-CB 4.34Å
80Y98.5Very high97.3Very high137 Ų13741.4 Ų41.454%0.53722%0.219SC..Hα-helixtrans-63.8-44.5-177.6-170.7-108.3000111.5L76 I77 M78 C82 K83 T84L76-Y80 WeakPolarHBondContact O-CB 3.46Å; L76-Y80 PolarHBondContact O-N 2.94Å; I77-Y80 PolarHBondContact O-N 3.01Å; M78-Y80 VanDerWaalsContact C-N 3.33Å; M78-Y80 PolarHBondContact O-N 3.45Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.02Å; Y80-K83 PolarHBondContact O-N 3.14Å; Y80-K83 VanDerWaalsContact O-N 3.16Å; Y80-T84 HydrophobicContact CD1-CG2 4.16Å; Y80-T84 HydrophobicContact CE1-CG2 3.77Å; Y80-T84 HydrophobicContact CE2-CG2 4.23Å; Y80-T84 PolarHBondContact O-N 3.47Å; Y80-T84 PolarHBondContact O-OG1 3.28Å
81T98.1Very high97.5Very high30 Ų3038.6 Ų38.618%0.18420%0.199CC..Hα-helixtrans-58.9-40174.2-59.20000111.7I49 I77 M78 T84 S85I49-T81 HydrophobicContact CD1-CG2 3.74Å; I49-T81 HydrophobicContact CG1-CG2 4.05Å; I77-T81 WeakPolarHBondContact O-CB 3.2Å; I77-T81 PolarHBondContact O-N 3.37Å; I77-T81 PolarHBondContact O-OG1 3.25Å; M78-T81 PolarHBondContact O-N 2.76Å; T81-T84 PolarHBondContact O-OG1 2.8Å; T81-T84 VanDerWaalsContact O-OG1 3.14Å; T81-S85 WeakPolarHBondContact O-CB 3.27Å; T81-S85 PolarHBondContact O-N 2.86Å; T81-S85 PolarHBondContact O-OG 2.7Å
82C97.8Very high97.6Very high0 Ų038.1 Ų38.10%020%0.196CC..Hα-helixtrans-63.9-44.1175.4-67.20000112.5L12 I53 M78 I79 Y80 S85 S86 A87 V90L12-C82 WeakPolarHBondContact CD1-SG 3.48Å; I53-C82 HydrophobicContact CD1-CB 3.93Å; M78-C82 PolarHBondContact O-N 2.99Å; M78-C82 PolarHBondContact O-SG 3.39Å; I79-C82 WeakPolarHBondContact O-CB 3.42Å; I79-C82 PolarHBondContact O-N 3.27Å; Y80-C82 VanDerWaalsContact C-N 3.29Å; Y80-C82 PolarHBondContact O-N 3.02Å; C82-S85 CarbonylContact O-C 3.6Å; C82-S85 PolarHBondContact O-N 3.49Å; C82-S86 PolarHBondContact O-N 2.7Å; C82-A87 HydrophobicContact CB-CB 4.28Å; C82-A87 VanDerWaalsContact O-CB 3.26Å; C82-A87 WeakPolarHBondContact O-CB 3.45Å; C82-A87 PolarHBondContact O-N 2.93Å; C82-A87 VanDerWaalsContact O-N 3.08Å; C82-V90 HydrophobicContact CB-CG2 3.62Å
83K97.3Very high97.7Very high107 Ų10737.7 Ų37.747%0.46519%0.194SC..Hα-helixtrans-64.4-46.6178.4177.1173.2171.8-175.70112.2I79 Y80 S85 S86 A123I79-K83 PolarHBondContact O-N 3.01Å; Y80-K83 PolarHBondContact O-N 3.14Å; Y80-K83 VanDerWaalsContact O-N 3.16Å; K83-S85 PolarHBondContact O-N 3.04Å; K83-S86 PolarHBondContact O-N 2.73Å; K83-S86 VanDerWaalsContact O-N 3.08Å; K83-A123 WeakPolarHBondContact CD-O 3.4Å
84T97.1Very high97.7Very high81 Ų8133 Ų3350%0.49717%0.17SC..Hα-helixtrans-67.3-28.8178.155.30000112Y80 T81 S86Y80-T84 HydrophobicContact CD1-CG2 4.16Å; Y80-T84 HydrophobicContact CE1-CG2 3.77Å; Y80-T84 HydrophobicContact CE2-CG2 4.23Å; Y80-T84 PolarHBondContact O-N 3.47Å; Y80-T84 PolarHBondContact O-OG1 3.28Å; T81-T84 PolarHBondContact O-OG1 2.8Å; T81-T84 VanDerWaalsContact O-OG1 3.14Å; T84-S86 PolarHBondContact O-N 3.27Å
85S96.7Very high97.7Very high48 Ų4831.9 Ų31.934%0.33617%0.165SC..THydrogen-bonded Turntrans-77.89.4173.2-550000113.6T81 C82 K83 A87T81-S85 WeakPolarHBondContact O-CB 3.27Å; T81-S85 PolarHBondContact O-N 2.86Å; T81-S85 PolarHBondContact O-OG 2.7Å; C82-S85 CarbonylContact O-C 3.6Å; C82-S85 PolarHBondContact O-N 3.49Å; K83-S85 PolarHBondContact O-N 3.04Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 2.89Å
86S95.9Very high97.7Very high56 Ų5632.6 Ų32.639%0.39217%0.168SC..THydrogen-bonded Turntrans60.438176.9-54.40000113.7R54 N55 C82 K83 T84R54-S86 WeakPolarHBondContact CA-O 3.4Å; N55-S86 PolarHBondContact N-O 2.78Å; C82-S86 PolarHBondContact O-N 2.7Å; K83-S86 PolarHBondContact O-N 2.73Å; K83-S86 VanDerWaalsContact O-N 3.08Å; T84-S86 PolarHBondContact O-N 3.27Å
87A96.9Very high97.5Very high18 Ų1831.8 Ų31.815%0.14916%0.164CC..  trans-56.8144.316400000110I58 C82 S85 V90I58-A87 HydrophobicContact CG1-CB 3.91Å; C82-A87 HydrophobicContact CB-CB 4.28Å; C82-A87 VanDerWaalsContact O-CB 3.26Å; C82-A87 WeakPolarHBondContact O-CB 3.45Å; C82-A87 PolarHBondContact O-N 2.93Å; C82-A87 VanDerWaalsContact O-N 3.08Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 2.89Å; A87-V90 HydrophobicContact CB-CG2 4.17Å
88R95.9Very high97.3Very high90 Ų9029.5 Ų29.534%0.3415%0.152SC..SBendtrans-68.1-44.7179.6-176.1-172.5-61.5149.94.5110.9R7 N55 R56 E57R7-R88 PolarHBondContact O-NH1 2.79Å; R7-R88 VanDerWaalsContact O-NH1 3.12Å; N55-R88 PolarHBondContact ND2-NH2 3.13Å; N55-R88 VanDerWaalsContact O-CZ 3.29Å; N55-R88 PolarHBondContact O-NE 2.79Å; N55-R88 PolarHBondContact O-NH2 2.88Å; N55-R88 PolarHBondContact OD1-NE 3.39Å; N55-R88 PolarHBondContact OD1-NH2 3.32Å; R56-R88 WeakPolarHBondContact O-CB 3.32Å; R56-R88 PolarHBondContact O-N 2.83Å; E57-R88 IonicContact OE1-NH1 3.04Å; E57-R88 PolarHBondContact OE1-NH1 2.9Å
89S96.7Very high96.9Very high21 Ų2132.7 Ų32.715%0.14717%0.165CC..EExtended strand (participates in β ladder)trans-150.7150.8176.660.20000109.8E57 I58 N126E57-S89 WeakPolarHBondContact CB-OG 3.48Å; E57-S89 WeakPolarHBondContact CG-OG 3.39Å; I58-S89 PolarHBondContact N-O 3.09Å; S89-N126 WeakPolarHBondContact CA-OD1 3.29Å
90V98.3Very high96.3Very high3 Ų332.8 Ų32.82%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-122.3116.2174.5-175.40000108.7I58 I60 I79 C82 A87 N126 R127I58-V90 CarbonylContact O-C 3.44Å; I58-V90 WeakPolarHBondContact O-CA 3.43Å; I60-V90 HydrophobicContact CD1-CG1 3.57Å; I60-V90 HydrophobicContact CG1-CG1 4.13Å; I79-V90 HydrophobicContact CG1-CG1 4.27Å; I79-V90 HydrophobicContact CG2-CG1 4.28Å; C82-V90 HydrophobicContact CB-CG2 3.62Å; A87-V90 HydrophobicContact CB-CG2 4.17Å; V90-N126 PolarHBondContact N-OD1 2.86Å; V90-N126 PolarHBondContact O-N 3Å; V90-R127 PolarHBondContact O-N 2.82Å
91T98.5Very high95.2Very high6 Ų630 Ų304%0.03715%0.154CC..EExtended strand (participates in β ladder)trans-105.8122.2174.1-59.80000109.1I58 F59 I60 R127 I129 T324I58-T91 PolarHBondContact O-N 3.22Å; F59-T91 CarbonylContact C-O 3.42Å; F59-T91 VanDerWaalsContact CA-O 3.28Å; F59-T91 WeakPolarHBondContact CA-O 3.46Å; F59-T91 HydrophobicContact CD1-CG2 3.71Å; F59-T91 HydrophobicContact CE1-CG2 3.7Å; I60-T91 PolarHBondContact N-O 3.21Å; T91-R127 WeakPolarHBondContact CA-O 3.42Å; T91-R127 HydrophobicContact CG2-CB 4.07Å; T91-R127 HydrophobicContact CG2-CG 4.01Å; T91-I129 HydrophobicContact CG2-CD1 4.03Å; T91-I129 HydrophobicContact CG2-CG1 3.98Å; T91-T324 HydrophobicContact CG2-CG2 4.49Å
92V98.6Very high93.6Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-88.5126.5176.5176.30000108.9L75 I79 M94 I120 A125 R127 M128 I129L75-V92 HydrophobicContact CD1-CG1 3.9Å; L75-V92 HydrophobicContact CD1-CG2 4.16Å; L75-V92 HydrophobicContact CD2-CG1 3.77Å; L75-V92 HydrophobicContact CG-CG1 4.46Å; I79-V92 HydrophobicContact CD1-CG2 3.56Å; I79-V92 HydrophobicContact CG1-CG2 3.93Å; V92-M94 HydrophobicContact CG1-CB 4.07Å; V92-I120 HydrophobicContact CG2-CG2 4.28Å; V92-A125 HydrophobicContact CG2-CB 3.87Å; V92-R127 PolarHBondContact N-O 3.16Å; V92-M128 HydrophobicContact CB-CB 4.44Å; V92-M128 HydrophobicContact CB-CG 4.15Å; V92-M128 HydrophobicContact CG1-CE 4.32Å; V92-M128 HydrophobicContact CG1-CG 4.29Å; V92-M128 CarbonylContact O-C 3.56Å; V92-M128 VanDerWaalsContact O-CA 3.24Å; V92-M128 WeakPolarHBondContact O-CA 3.23Å; V92-I129 PolarHBondContact O-N 3Å
93V98.5Very high91.7Very high0 Ų035.2 Ų35.20%018%0.177CC..EExtended strand (participates in β ladder)trans-107.2102.6172.2-175.60000107.4F59 I60 I61 Q62 I129 L317 I321F59-V93 HydrophobicContact CD1-CG2 4.13Å; I60-V93 PolarHBondContact O-N 3.16Å; I61-V93 HydrophobicContact CG1-CB 4.29Å; Q62-V93 PolarHBondContact N-O 3.09Å; Q62-V93 VanDerWaalsContact O-O 3.08Å; V93-I129 HydrophobicContact CG2-CB 4.43Å; V93-I129 HydrophobicContact CG2-CD1 4.26Å; V93-L317 HydrophobicContact CG1-CD2 4.35Å; V93-I321 HydrophobicContact CG1-CD1 4.45Å; V93-I321 HydrophobicContact CG2-CD1 3.99Å; V93-I321 HydrophobicContact CG2-CG1 3.83Å
94M97.9Very high90Very high0 Ų035.5 Ų35.50%018%0.178CC..EExtended strand (participates in β ladder)trans-12689-177179.1167.3-85.100110.7Q62 I72 L75 V92 Y96 F97 M128 I129 T130Q62-M94 HydrophobicContact CB-CE 4.48Å; Q62-M94 HydrophobicContact CG-CE 4.23Å; Q62-M94 WeakPolarHBondContact O-CA 3.34Å; Q62-M94 VanDerWaalsContact O-CB 3.29Å; Q62-M94 WeakPolarHBondContact O-CB 3.48Å; Q62-M94 WeakPolarHBondContact O-CG 3.28Å; I72-M94 HydrophobicContact CD1-CE 3.97Å; I72-M94 HydrophobicContact CD1-SD 4.32Å; L75-M94 HydrophobicContact CD2-CE 3.43Å; L75-M94 VanDerWaalsContact CD2-CE 3.43Å; L75-M94 HydrophobicContact CD2-SD 4.41Å; V92-M94 HydrophobicContact CG1-CB 4.07Å; M94-Y96 WeakPolarHBondContact CG-O 3.36Å; M94-Y96 PolarHBondContact O-N 2.99Å; M94-F97 HydrophobicContact SD-CD2 3.69Å; M94-F97 HydrophobicContact SD-CE2 4.38Å; M94-M128 HydrophobicContact CB-CE 3.55Å; M94-M128 HydrophobicContact CG-CE 3.95Å; M94-M128 HydrophobicContact SD-CE 3.65Å; M94-I129 PolarHBondContact N-O 2.83Å; M94-T130 WeakPolarHBondContact O-CA 3.24Å; M94-T130 WeakPolarHBondContact O-CG2 3.36Å
95P97.7Very high88.1Confident1 Ų138 Ų381%0.00619%0.187CC..SBendtrans-57.3-48.6-173.8-24.634.9000112.2L20 L131 H271 T295 L317L20-P95 HydrophobicContact CD2-CG 3.97Å; P95-L131 HydrophobicContact CB-CB 4.32Å; P95-L131 PolarHBondContact O-N 3.02Å; P95-H271 PolarHBondContact O-CE1 2.99Å; P95-H271 VanDerWaalsContact O-CE1 3.31Å; P95-T295 HydrophobicContact CB-CG2 3.68Å; P95-L317 HydrophobicContact CB-CD1 4.12Å; P95-L317 HydrophobicContact CG-CD1 3.46Å; P95-L317 VanDerWaalsContact CG-CD1 3.46Å; P95-L317 HydrophobicContact CG-CD2 4.47Å
96Y97Very high86.6Confident15 Ų1540.4 Ų40.46%0.05919%0.189CC..SBendtrans-101.7117.3171175.7-119.7000111.3T63 A64 M94 P98 V243 H271 I273 V296T63-Y96 PolarHBondContact OG1-N 3.32Å; A64-Y96 HydrophobicContact CB-CD1 3.81Å; A64-Y96 HydrophobicContact CB-CE1 4.13Å; A64-Y96 WeakPolarHBondContact O-CD1 3.23Å; M94-Y96 WeakPolarHBondContact CG-O 3.36Å; M94-Y96 PolarHBondContact O-N 2.99Å; Y96-P98 HydrophobicContact CE1-CB 4.3Å; Y96-V243 HydrophobicContact CE2-CG2 3.9Å; Y96-H271 HydrophobicContact CD2-CB 3.81Å; Y96-H271 AromaticContact CD2-CD2 3.67Å; Y96-H271 AromaticContact CD2-CG 3.45Å; Y96-H271 VanDerWaalsContact CD2-CG 3.45Å; Y96-H271 AromaticContact CD2-ND1 3.72Å; Y96-H271 HydrophobicContact CE2-CB 4.29Å; Y96-H271 HydrophobicContact CG-CB 4.35Å; Y96-I273 HydrophobicContact CE1-CD1 3.7Å; Y96-I273 HydrophobicContact CE1-CG1 4.44Å; Y96-I273 HydrophobicContact CE2-CD1 4.32Å; Y96-I273 WeakPolarHBondContact OH-CD1 3.36Å; Y96-V296 HydrophobicContact CD1-CG2 3.72Å; Y96-V296 HydrophobicContact CG-CG2 3.8Å
97F95.7Very high85.4Confident4 Ų447.5 Ų47.52%0.01821%0.213CC..PPolyproline II helixtrans-98.1116.6175.5-172.9-115.7000111.2M94 T100 L116 I120 M128 T130 L133 V138 F142M94-F97 HydrophobicContact SD-CD2 3.69Å; M94-F97 HydrophobicContact SD-CE2 4.38Å; F97-T100 HydrophobicContact CD1-CG2 3.52Å; F97-T100 HydrophobicContact CE1-CG2 4.16Å; F97-T100 HydrophobicContact CG-CG2 4.46Å; F97-T100 WeakPolarHBondContact O-CG2 3.5Å; F97-T100 PolarHBondContact O-OG1 2.97Å; F97-L116 HydrophobicContact CE2-CB 4.19Å; F97-L116 HydrophobicContact CE2-CD1 4.24Å; F97-L116 HydrophobicContact CZ-CB 3.78Å; F97-L116 HydrophobicContact CZ-CD1 4.1Å; F97-I120 HydrophobicContact CE2-CD1 3.98Å; F97-M128 HydrophobicContact CD2-CE 3.46Å; F97-M128 VanDerWaalsContact CD2-CE 3.46Å; F97-M128 HydrophobicContact CE2-CE 3.81Å; F97-M128 HydrophobicContact CG-CE 4.32Å; F97-T130 HydrophobicContact CB-CG2 4.14Å; F97-L133 HydrophobicContact CB-CD2 3.84Å; F97-L133 HydrophobicContact CD1-CD2 4.07Å; F97-L133 HydrophobicContact CG-CD2 4.34Å; F97-V138 HydrophobicContact CD1-CG1 3.98Å; F97-V138 HydrophobicContact CE1-CG1 3.79Å; F97-F142 HydrophobicContact CE1-CE2 4.09Å; F97-F142 AromaticContact CE1-CZ 3.96Å; F97-F142 HydrophobicContact CE1-CZ 3.96Å; F97-F142 AromaticContact CE2-CZ 3.9Å; F97-F142 HydrophobicContact CE2-CZ 3.9Å; F97-F142 HydrophobicContact CZ-CE2 4.14Å; F97-F142 AromaticContact CZ-CZ 3.57Å; F97-F142 HydrophobicContact CZ-CZ 3.57Å
98P93.6Very high84.5Confident2 Ų258.6 Ų58.61%0.01325%0.251CS..SBendtrans-77.8173.6-171.532.3-36.4000113.2A64 V68 I72 Y96 T100 L116A64-P98 HydrophobicContact CB-CB 3.86Å; A64-P98 HydrophobicContact CB-CG 3.63Å; V68-P98 HydrophobicContact CG1-CB 3.5Å; V68-P98 HydrophobicContact CG1-CG 3.67Å; I72-P98 HydrophobicContact CD1-CG 4.05Å; I72-P98 HydrophobicContact CG1-CG 4.35Å; Y96-P98 HydrophobicContact CE1-CB 4.3Å; P98-T100 PolarHBondContact O-N 2.77Å; P98-L116 HydrophobicContact CG-CD1 4.16Å
99Y89.9Confident83.6Confident68 Ų6856.8 Ų56.827%0.26725%0.252SS..SBendtrans60.917.6179.3-53.6-88.5000116V68 N69 V112 L116V68-Y99 HydrophobicContact CG1-CD2 4.3Å; V68-Y99 HydrophobicContact CG1-CE2 3.42Å; V68-Y99 VanDerWaalsContact CG1-CE2 3.42Å; N69-Y99 PolarHBondContact OD1-OH 3.44Å; Y99-V112 HydrophobicContact CD1-CB 4.04Å; Y99-V112 HydrophobicContact CD1-CG1 3.59Å; Y99-V112 HydrophobicContact CD2-CG1 4.12Å; Y99-V112 HydrophobicContact CE1-CG1 4.08Å; Y99-V112 HydrophobicContact CG-CB 4.1Å; Y99-V112 HydrophobicContact CG-CG1 3.6Å; Y99-L116 HydrophobicContact CD2-CD1 3.33Å; Y99-L116 HydrophobicContact CD2-CG 4.38Å; Y99-L116 HydrophobicContact CE2-CD1 3.89Å; Y99-L116 HydrophobicContact CG-CD1 4.23Å
100T84.9Confident83.1Confident1 Ų160.8 Ų60.81%0.00628%0.277CS..  trans-87.1-27178.151.60000113F97 P98 I103 V138F97-T100 HydrophobicContact CD1-CG2 3.52Å; F97-T100 HydrophobicContact CE1-CG2 4.16Å; F97-T100 HydrophobicContact CG-CG2 4.46Å; F97-T100 WeakPolarHBondContact O-CG2 3.5Å; F97-T100 PolarHBondContact O-OG1 2.97Å; P98-T100 PolarHBondContact O-N 2.77Å; T100-I103 WeakPolarHBondContact O-CD1 3.08Å; T100-I103 WeakPolarHBondContact O-CG1 3.31Å; T100-V138 HydrophobicContact CG2-CG1 4.25Å; T100-V138 HydrophobicContact CG2-CG2 4.02Å
101R75.5Confident82.5Confident78 Ų7863.8 Ų63.829%0.29429%0.293SS..THydrogen-bonded Turntrans-64.8-42.1-179.8-66.8176.573.1-157.5-1112.9I103 R135 V243 D245R101-I103 PolarHBondContact O-N 2.81Å; R101-R135 PolarHBondContact O-NH2 2.92Å; R101-V243 HydrophobicContact CG-CG2 4.48Å; R101-D245 IonicContact NH1-OD2 3.94Å; R101-D245 PolarHBondContact NH1-OD2 3.38Å
102H64.8Low82.2Confident115 Ų11565.8 Ų65.853%0.53231%0.305SS..THydrogen-bonded Turntrans-88.921.1-171-56.6-78.3000115.2K104H102-K104 PolarHBondContact O-N 2.67Å
103I58.3Low81.9Confident26 Ų2665.8 Ų65.813%0.13331%0.305CS..  trans-7431.7178-50.6165.7000111.7T100 R101 R135 V138 F141T100-I103 WeakPolarHBondContact O-CD1 3.08Å; T100-I103 WeakPolarHBondContact O-CG1 3.31Å; R101-I103 PolarHBondContact O-N 2.81Å; I103-R135 VanDerWaalsContact C-NH1 3.33Å; I103-R135 HydrophobicContact CD1-CB 4.43Å; I103-R135 PolarHBondContact O-NH1 2.87Å; I103-V138 HydrophobicContact CD1-CG2 3.37Å; I103-F141 HydrophobicContact CD1-CE2 4.32Å
104K61Low81.6Confident113 Ų11369.2 Ų69.249%0.49132%0.32SS..  trans-82.3118.1166.5-76.1-178.4-178.3165.80107.8H102 R106H102-K104 PolarHBondContact O-N 2.67Å; K104-R106 PolarHBondContact O-N 3.2Å
105L58Low81.5Confident132 Ų13273.8 Ų73.869%0.69134%0.344SS*.  trans-77.185.3179.7-61.1169.8000109.5I111L105-I111 HydrophobicContact CD2-CD1 4.06Å; L105-I111 HydrophobicContact CD2-CG1 3.91Å
106R65.8Low81.4Confident100 Ų10074 Ų7438%0.37735%0.345SS..  trans-67.9155.3156-62.6-174-176.5179.14.3108K104 R108 S109 D207K104-R106 PolarHBondContact O-N 3.2Å; R106-R108 PolarHBondContact O-N 3.48Å; R106-S109 PolarHBondContact O-N 3.02Å; R106-S109 VanDerWaalsContact O-N 3.13Å; R106-D207 IonicContact CZ-OD1 3.33Å; R106-D207 IonicContact NE-OD1 3.56Å; R106-D207 VanDerWaalsContact NH2-CG 3.34Å; R106-D207 IonicContact NH2-OD1 3.31Å; R106-D207 PolarHBondContact NH2-OD1 3.13Å
107K69.9Low81.4Confident204 Ų20473.3 Ų73.389%0.88734%0.342SS*.THydrogen-bonded Turntrans-54.8115.9173.4-66.9179.9-179.4176.70107.4
108R77Confident81.5Confident251 Ų25176.7 Ų76.795%0.94736%0.36SS*.THydrogen-bonded Turntrans80.116.6178.8-47173.1179.4173.6-0.7117.7R106R106-R108 PolarHBondContact O-N 3.48Å
109S79Confident81.8Confident52 Ų5279.8 Ų79.836%0.36438%0.375SS..  trans-84.4137.3169.9-63.80000112.1R106R106-S109 PolarHBondContact O-N 3.02Å; R106-S109 VanDerWaalsContact O-N 3.13Å
110P84.3Confident82.2Confident105 Ų10576.6 Ų76.668%0.68236%0.363SS*.  trans-76.9150.6178.331.7-34.9000112.2V112P110-V112 HydrophobicContact CB-CG2 4.43Å; P110-V112 HydrophobicContact CG-CG2 4.04Å; P110-V112 PolarHBondContact O-N 3.25Å
111I87.1Confident82.8Confident67 Ų6780.4 Ų80.434%0.34438%0.379SS..  trans-89.185169.4-53.9174.7000108.1L105 S113 K114 L115 F141L105-I111 HydrophobicContact CD2-CD1 4.06Å; L105-I111 HydrophobicContact CD2-CG1 3.91Å; I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.38Å; I111-K114 HydrophobicContact CB-CB 4.2Å; I111-K114 HydrophobicContact CG2-CB 3.77Å; I111-K114 WeakPolarHBondContact O-CB 3.36Å; I111-K114 PolarHBondContact O-N 3.45Å; I111-K114 VanDerWaalsContact O-N 3.13Å; I111-L115 PolarHBondContact O-N 2.9Å; I111-F141 HydrophobicContact CG2-CD2 4.24Å; I111-F141 HydrophobicContact CG2-CE2 3.49Å; I111-F141 VanDerWaalsContact CG2-CE2 3.49Å; I111-F141 HydrophobicContact CG2-CZ 3.74Å
112V90.9Very high83.9Confident47 Ų4784.7 Ų84.729%0.28540%0.4SS..Hα-helixtrans-64.5-35.7-173-176.20000112.4Y99 P110 K114 L115 L116Y99-V112 HydrophobicContact CD1-CB 4.04Å; Y99-V112 HydrophobicContact CD1-CG1 3.59Å; Y99-V112 HydrophobicContact CD2-CG1 4.12Å; Y99-V112 HydrophobicContact CE1-CG1 4.08Å; Y99-V112 HydrophobicContact CG-CB 4.1Å; Y99-V112 HydrophobicContact CG-CG1 3.6Å; P110-V112 HydrophobicContact CB-CG2 4.43Å; P110-V112 HydrophobicContact CG-CG2 4.04Å; P110-V112 PolarHBondContact O-N 3.25Å; V112-K114 PolarHBondContact O-N 3.45Å; V112-L115 WeakPolarHBondContact O-CA 3.25Å; V112-L115 WeakPolarHBondContact O-CB 3.47Å; V112-L115 PolarHBondContact O-N 3.43Å; V112-L116 PolarHBondContact O-N 2.83Å
113S92.3Very high85.5Confident0 Ų079.8 Ų79.80%038%0.379CS..Hα-helixtrans-59.3-33.7174.750.40000112.8I111 L116 A117 F141I111-S113 VanDerWaalsContact C-N 3.33Å; I111-S113 PolarHBondContact O-N 3.38Å; S113-L116 PolarHBondContact O-N 3.35Å; S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.82Å; S113-F141 WeakPolarHBondContact OG-CE2 3.29Å
114K93.3Very high87.4Confident72 Ų7278.9 Ų78.931%0.31338%0.377SS..Hα-helixtrans-69.6-39.6173178.861.9-177.9-178.60112I111 V112 A117 N118 F141I111-K114 HydrophobicContact CB-CB 4.2Å; I111-K114 HydrophobicContact CG2-CB 3.77Å; I111-K114 WeakPolarHBondContact O-CB 3.36Å; I111-K114 PolarHBondContact O-N 3.45Å; I111-K114 VanDerWaalsContact O-N 3.13Å; V112-K114 PolarHBondContact O-N 3.45Å; K114-A117 PolarHBondContact O-N 3.27Å; K114-N118 PolarHBondContact O-N 3.27Å; K114-N118 VanDerWaalsContact O-N 3.09Å; K114-F141 HydrophobicContact CB-CB 4.3Å; K114-F141 HydrophobicContact CB-CD2 3.98Å; K114-F141 HydrophobicContact CB-CE2 4.47Å; K114-F141 HydrophobicContact CB-CG 4.02Å; K114-F141 HydrophobicContact CD-CB 3.58Å; K114-F141 HydrophobicContact CD-CD1 4.13Å; K114-F141 HydrophobicContact CD-CG 3.9Å; K114-F141 PolarHBondContact NZ-O 2.83Å
115L95.4Very high89.2Confident97 Ų9773.6 Ų73.651%0.50835%0.354SS..Hα-helixtrans-59.7-47.9173173.863.1000110.6I111 V112 A117 N118 M119I111-L115 PolarHBondContact O-N 2.9Å; V112-L115 WeakPolarHBondContact O-CA 3.25Å; V112-L115 WeakPolarHBondContact O-CB 3.47Å; V112-L115 PolarHBondContact O-N 3.43Å; L115-A117 PolarHBondContact O-N 2.95Å; L115-N118 PolarHBondContact O-N 3.08Å; L115-M119 HydrophobicContact CD1-CG 4.21Å; L115-M119 HydrophobicContact CD1-SD 4.31Å; L115-M119 HydrophobicContact CG-CE 4.07Å; L115-M119 HydrophobicContact CG-SD 4.36Å; L115-M119 WeakPolarHBondContact O-CG 3.11Å; L115-M119 PolarHBondContact O-N 3.28Å
116L96.1Very high91.1Very high6 Ų670.8 Ų70.83%0.03134%0.34CS..Hα-helixtrans-58.9-46.9177-73.3-178.9000112.6I72 F97 P98 Y99 V112 S113 N118 M119 I120I72-L116 HydrophobicContact CD1-CD1 4.48Å; I72-L116 HydrophobicContact CD1-CD2 4.28Å; I72-L116 HydrophobicContact CG1-CD2 4.19Å; I72-L116 HydrophobicContact CG2-CD2 3.63Å; F97-L116 HydrophobicContact CE2-CB 4.19Å; F97-L116 HydrophobicContact CE2-CD1 4.24Å; F97-L116 HydrophobicContact CZ-CB 3.78Å; F97-L116 HydrophobicContact CZ-CD1 4.1Å; P98-L116 HydrophobicContact CG-CD1 4.16Å; Y99-L116 HydrophobicContact CD2-CD1 3.33Å; Y99-L116 HydrophobicContact CD2-CG 4.38Å; Y99-L116 HydrophobicContact CE2-CD1 3.89Å; Y99-L116 HydrophobicContact CG-CD1 4.23Å; V112-L116 PolarHBondContact O-N 2.83Å; S113-L116 PolarHBondContact O-N 3.35Å; L116-N118 VanDerWaalsContact C-N 3.27Å; L116-N118 PolarHBondContact O-N 2.94Å; L116-M119 HydrophobicContact CD2-CE 3.58Å; L116-M119 PolarHBondContact O-N 2.7Å; L116-M119 VanDerWaalsContact O-N 3.13Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 2.88Å
117A97Very high92.6Very high0 Ų069.5 Ų69.50%034%0.335CS..Hα-helixtrans-56.6-4317700000111.9S113 K114 L115 K121 F141 F142S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.82Å; K114-A117 PolarHBondContact O-N 3.27Å; L115-A117 PolarHBondContact O-N 2.95Å; A117-K121 WeakPolarHBondContact O-CB 3.04Å; A117-K121 PolarHBondContact O-N 3.38Å; A117-F141 HydrophobicContact CB-CB 4.21Å; A117-F142 HydrophobicContact CB-CD1 3.69Å; A117-F142 HydrophobicContact CB-CD2 3.95Å; A117-F142 HydrophobicContact CB-CE1 3.63Å; A117-F142 HydrophobicContact CB-CE2 3.92Å; A117-F142 HydrophobicContact CB-CG 3.86Å; A117-F142 HydrophobicContact CB-CZ 3.77Å
118N98Very high94Very high74 Ų7459.8 Ų59.840%0.39629%0.293SS..Hα-helixtrans-66.9-40.1176.6-71.5-13.6000112.4K114 L115 L116 K121 K122K114-N118 PolarHBondContact O-N 3.27Å; K114-N118 VanDerWaalsContact O-N 3.09Å; L115-N118 PolarHBondContact O-N 3.08Å; L116-N118 VanDerWaalsContact C-N 3.27Å; L116-N118 PolarHBondContact O-N 2.94Å; N118-K121 PolarHBondContact O-N 3.09Å; N118-K122 VanDerWaalsContact O-CB 3.28Å; N118-K122 WeakPolarHBondContact O-CB 3.34Å; N118-K122 PolarHBondContact O-N 3.32Å
119M98.6Very high94.9Very high67 Ų6747.9 Ų47.933%0.3325%0.248SC..Hα-helixtrans-65.9-45.4177.4-70-167.1-58.900111.7L76 L115 L116 K121 K122 A123L76-M119 HydrophobicContact CD1-CB 4.21Å; L76-M119 HydrophobicContact CD1-CE 4.47Å; L76-M119 HydrophobicContact CD1-SD 4.44Å; L76-M119 HydrophobicContact CD2-CB 3.99Å; L115-M119 HydrophobicContact CD1-CG 4.21Å; L115-M119 HydrophobicContact CD1-SD 4.31Å; L115-M119 HydrophobicContact CG-CE 4.07Å; L115-M119 HydrophobicContact CG-SD 4.36Å; L115-M119 WeakPolarHBondContact O-CG 3.11Å; L115-M119 PolarHBondContact O-N 3.28Å; L116-M119 HydrophobicContact CD2-CE 3.58Å; L116-M119 PolarHBondContact O-N 2.7Å; L116-M119 VanDerWaalsContact O-N 3.13Å; M119-K121 VanDerWaalsContact C-N 3.32Å; M119-K121 PolarHBondContact O-N 2.75Å; M119-K122 PolarHBondContact O-N 3.22Å; M119-K122 VanDerWaalsContact O-N 3.13Å; M119-A123 WeakPolarHBondContact O-CB 3.32Å; M119-A123 PolarHBondContact O-N 2.87Å
120I98.5Very high95.8Very high1 Ų145.4 Ų45.41%0.00523%0.231CC..Hα-helixtrans-58.4-45.2176.1-70.7168.9000110.5L75 L76 I79 V92 F97 L116 G124 A125 M128 F142 I144L75-I120 HydrophobicContact CD2-CD1 4.41Å; L75-I120 HydrophobicContact CD2-CG1 4.47Å; L76-I120 HydrophobicContact CD2-CG1 4.17Å; I79-I120 HydrophobicContact CD1-CG2 4.23Å; V92-I120 HydrophobicContact CG2-CG2 4.28Å; F97-I120 HydrophobicContact CE2-CD1 3.98Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 2.88Å; I120-G124 PolarHBondContact O-N 2.8Å; I120-A125 HydrophobicContact CG2-CB 3.55Å; I120-A125 WeakPolarHBondContact O-CB 3.22Å; I120-A125 PolarHBondContact O-N 3.18Å; I120-A125 VanDerWaalsContact O-N 3.16Å; I120-M128 HydrophobicContact CD1-CE 4.06Å; I120-M128 HydrophobicContact CD1-SD 4.08Å; I120-F142 HydrophobicContact CD1-CE1 4.43Å; I120-I144 HydrophobicContact CG2-CD1 4.39Å
121K98.2Very high96.3Very high82 Ų8240.5 Ų40.536%0.35720%0.198SC..Hα-helixtrans-59.7-48.7173.7175.664.8-179.9176.70111.9A117 N118 M119 G124 S143 I144A117-K121 WeakPolarHBondContact O-CB 3.04Å; A117-K121 PolarHBondContact O-N 3.38Å; N118-K121 PolarHBondContact O-N 3.09Å; M119-K121 VanDerWaalsContact C-N 3.32Å; M119-K121 PolarHBondContact O-N 2.75Å; K121-G124 PolarHBondContact O-N 3.31Å; K121-S143 WeakPolarHBondContact CG-OG 3.36Å; K121-I144 HydrophobicContact CD-CG2 3.36Å
122K98.6Very high96.6Very high167 Ų16737.6 Ų37.673%0.72618%0.184SC*.Hα-helixtrans-66.4-39.6-174.1-176.561.7-177.1-176.20111.7N118 M119 G124N118-K122 VanDerWaalsContact O-CB 3.28Å; N118-K122 WeakPolarHBondContact O-CB 3.34Å; N118-K122 PolarHBondContact O-N 3.32Å; M119-K122 PolarHBondContact O-N 3.22Å; M119-K122 VanDerWaalsContact O-N 3.13Å; K122-G124 PolarHBondContact O-N 2.99Å
123A98.5Very high96.7Very high12 Ų1236 Ų3610%0.09917%0.173CC..Hα-helixtrans-55.9-38.3173.700000111.2L76 I79 K83 M119L76-A123 HydrophobicContact CD2-CB 3.82Å; I79-A123 HydrophobicContact CB-CB 4.07Å; I79-A123 HydrophobicContact CG2-CB 3.79Å; K83-A123 WeakPolarHBondContact CD-O 3.4Å; M119-A123 WeakPolarHBondContact O-CB 3.32Å; M119-A123 PolarHBondContact O-N 2.87Å
124G98.2Very high96.4Very high8 Ų837.1 Ų37.18%0.08218%0.181CC..THydrogen-bonded Turntrans142.14173.100000116.8I120 K121 K122 N126I120-G124 PolarHBondContact O-N 2.8Å; K121-G124 PolarHBondContact O-N 3.31Å; K122-G124 PolarHBondContact O-N 2.99Å; G124-N126 PolarHBondContact O-OD1 3.22Å
125A98.5Very high96.1Very high1 Ų137 Ų371%0.00818%0.179CC..  trans-63.6139.8-178.100000111.4I79 V92 I120 I144I79-A125 HydrophobicContact CD1-CB 4.34Å; I79-A125 HydrophobicContact CG2-CB 4.34Å; V92-A125 HydrophobicContact CG2-CB 3.87Å; I120-A125 HydrophobicContact CG2-CB 3.55Å; I120-A125 WeakPolarHBondContact O-CB 3.22Å; I120-A125 PolarHBondContact O-N 3.18Å; I120-A125 VanDerWaalsContact O-N 3.16Å; A125-I144 HydrophobicContact CB-CD1 3.89Å
126N98.3Very high95.6Very high73 Ų7337.5 Ų37.539%0.3918%0.181SC..SBendtrans-98.6-28.1176.7-62.592000111.9S89 V90 G124 I144 P145S89-N126 WeakPolarHBondContact CA-OD1 3.29Å; V90-N126 PolarHBondContact N-OD1 2.86Å; V90-N126 PolarHBondContact O-N 3Å; G124-N126 PolarHBondContact O-OD1 3.22Å; N126-I144 WeakPolarHBondContact O-CB 3.24Å; N126-I144 WeakPolarHBondContact O-CG2 3.44Å; N126-P145 WeakPolarHBondContact O-CD 3.42Å
127R98.1Very high95.2Very high74 Ų7443.6 Ų43.628%0.27921%0.209SC..EExtended strand (participates in β ladder)trans-153.2156.2-178.5179175.7-71.3-83.82109.6V90 T91 V92 P145 D147V90-R127 PolarHBondContact O-N 2.82Å; T91-R127 WeakPolarHBondContact CA-O 3.42Å; T91-R127 HydrophobicContact CG2-CB 4.07Å; T91-R127 HydrophobicContact CG2-CG 4.01Å; V92-R127 PolarHBondContact N-O 3.16Å; R127-P145 WeakPolarHBondContact CA-O 3.12Å; R127-P145 HydrophobicContact CG-CB 4.31Å; R127-P145 VanDerWaalsContact CZ-CB 3.5Å; R127-P145 VanDerWaalsContact NH1-CB 3.32Å; R127-D147 VanDerWaalsContact CD-OD2 3.29Å; R127-D147 WeakPolarHBondContact CD-OD2 3.35Å; R127-D147 IonicContact CZ-OD2 3.35Å; R127-D147 IonicContact NE-OD2 3.09Å; R127-D147 VanDerWaalsContact NH1-CG 3.31Å; R127-D147 IonicContact NH1-OD1 3.99Å; R127-D147 PolarHBondContact NH1-OD1 3.08Å; R127-D147 IonicContact NH1-OD2 2.77Å; R127-D147 PolarHBondContact NH1-OD2 3.42Å
128M97.5Very high94.9Very high0 Ų043.6 Ų43.60%021%0.209CC..EExtended strand (participates in β ladder)trans-133.6143.4172.3-175.2172-171.700110.2V92 M94 F97 I120 T130 F142 I144 P145 L146 D147V92-M128 HydrophobicContact CB-CB 4.44Å; V92-M128 HydrophobicContact CB-CG 4.15Å; V92-M128 HydrophobicContact CG1-CE 4.32Å; V92-M128 HydrophobicContact CG1-CG 4.29Å; V92-M128 CarbonylContact O-C 3.56Å; V92-M128 VanDerWaalsContact O-CA 3.24Å; V92-M128 WeakPolarHBondContact O-CA 3.23Å; M94-M128 HydrophobicContact CB-CE 3.55Å; M94-M128 HydrophobicContact CG-CE 3.95Å; M94-M128 HydrophobicContact SD-CE 3.65Å; F97-M128 HydrophobicContact CD2-CE 3.46Å; F97-M128 VanDerWaalsContact CD2-CE 3.46Å; F97-M128 HydrophobicContact CE2-CE 3.81Å; F97-M128 HydrophobicContact CG-CE 4.32Å; I120-M128 HydrophobicContact CD1-CE 4.06Å; I120-M128 HydrophobicContact CD1-SD 4.08Å; M128-T130 HydrophobicContact CE-CG2 3.81Å; M128-T130 HydrophobicContact CG-CG2 4.14Å; M128-T130 HydrophobicContact SD-CG2 4.31Å; M128-F142 HydrophobicContact CE-CZ 4.36Å; M128-F142 HydrophobicContact SD-CD1 4.17Å; M128-F142 HydrophobicContact SD-CE1 3.23Å; M128-F142 WeakPolarHBondContact SD-CE1 3.14Å; M128-F142 HydrophobicContact SD-CZ 3.46Å; M128-F142 WeakPolarHBondContact SD-CZ 3.45Å; M128-I144 HydrophobicContact CB-CD1 4.47Å; M128-P145 PolarHBondContact N-O 2.95Å; M128-L146 HydrophobicContact CB-CD1 3.65Å; M128-L146 HydrophobicContact CG-CD1 3.65Å; M128-L146 CarbonylContact O-C 3.56Å; M128-L146 VanDerWaalsContact O-CA 3.31Å; M128-L146 WeakPolarHBondContact O-CA 3.19Å; M128-L146 HydrophobicContact SD-CD1 3.98Å; M128-D147 PolarHBondContact O-N 3.41Å
129I97.5Very high94.6Very high1 Ų144.4 Ų44.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-118.4124.5174-55.4-179.1000106.7T91 V92 V93 M94 D147 V149 A320 T324T91-I129 HydrophobicContact CG2-CD1 4.03Å; T91-I129 HydrophobicContact CG2-CG1 3.98Å; V92-I129 PolarHBondContact O-N 3Å; V93-I129 HydrophobicContact CG2-CB 4.43Å; V93-I129 HydrophobicContact CG2-CD1 4.26Å; M94-I129 PolarHBondContact N-O 2.83Å; I129-D147 CarbonylContact C-O 3.56Å; I129-D147 VanDerWaalsContact CA-O 3.3Å; I129-D147 WeakPolarHBondContact CA-O 3.38Å; I129-D147 HydrophobicContact CG1-CB 4.27Å; I129-V149 HydrophobicContact CG2-CG2 3.9Å; I129-A320 HydrophobicContact CD1-CB 4.49Å; I129-A320 HydrophobicContact CG2-CB 4.29Å; I129-T324 HydrophobicContact CD1-CG2 4.49Å
130T96.6Very high94.3Very high0 Ų044.2 Ų44.20%023%0.226CC..EExtended strand (participates in β ladder)trans-122.7169.4175.558.60000110.2M94 F97 M128 L133 L146 D147 N148 V149M94-T130 WeakPolarHBondContact O-CA 3.24Å; M94-T130 WeakPolarHBondContact O-CG2 3.36Å; F97-T130 HydrophobicContact CB-CG2 4.14Å; M128-T130 HydrophobicContact CE-CG2 3.81Å; M128-T130 HydrophobicContact CG-CG2 4.14Å; M128-T130 HydrophobicContact SD-CG2 4.31Å; T130-L133 HydrophobicContact CG2-CD2 4.29Å; T130-L146 HydrophobicContact CG2-CD1 3.73Å; T130-D147 PolarHBondContact N-O 3.07Å; T130-N148 PolarHBondContact OG1-OD1 3.26Å; T130-V149 PolarHBondContact O-N 3.1Å
131L95.7Very high94.1Very high1 Ų146 Ų461%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-127126.3175.7-173.2156.4000109.2P95 L133 V149 A151 T270 H271 T295 I313 I316 L317P95-L131 HydrophobicContact CB-CB 4.32Å; P95-L131 PolarHBondContact O-N 3.02Å; L131-L133 PolarHBondContact O-N 2.88Å; L131-V149 CarbonylContact C-O 3.55Å; L131-V149 VanDerWaalsContact CA-O 3.27Å; L131-V149 WeakPolarHBondContact CA-O 3.21Å; L131-A151 HydrophobicContact CD1-CB 4.43Å; L131-A151 HydrophobicContact CD2-CB 3.84Å; L131-A151 HydrophobicContact CG-CB 4.43Å; L131-T270 HydrophobicContact CD2-CG2 3.07Å; L131-H271 PolarHBondContact O-CE1 3.43Å; L131-H271 PolarHBondContact O-NE2 2.91Å; L131-T295 HydrophobicContact CD1-CG2 4.24Å; L131-T295 HydrophobicContact CD2-CG2 3.77Å; L131-T295 HydrophobicContact CG-CG2 4.41Å; L131-I313 HydrophobicContact CD1-CB 3.93Å; L131-I313 HydrophobicContact CD1-CG1 3.97Å; L131-I313 HydrophobicContact CD1-CG2 4.15Å; L131-I316 HydrophobicContact CD1-CG2 4.46Å; L131-L317 HydrophobicContact CD1-CD2 4.19Å
132D93Very high94Very high7 Ų742.9 Ų42.94%0.03722%0.22CC..  trans40.862.8179.3-71.3-32.8000116.2C134 N148 V149 R150 A151 K181 T270 H271D132-C134 PolarHBondContact O-N 3.46Å; D132-N148 PolarHBondContact N-OD1 3.4Å; D132-V149 PolarHBondContact N-O 2.63Å; D132-R150 VanDerWaalsContact OD1-CA 3.28Å; D132-R150 WeakPolarHBondContact OD1-CA 3.31Å; D132-A151 PolarHBondContact OD2-N 3.49Å; D132-K181 IonicContact OD2-NZ 3.63Å; D132-T270 HydrophobicContact CB-CG2 3.71Å; D132-T270 WeakPolarHBondContact OD2-CG2 3.27Å; D132-T270 PolarHBondContact OD2-OG1 3.47Å; D132-H271 PolarHBondContact O-NE2 3.49Å
133L92.4Very high93.9Very high13 Ų1338.7 Ų38.77%0.06821%0.212CC..  trans-49.1129.1168.9-69.1169.3000112.3F97 T130 L131 R135 V138 L146 N148F97-L133 HydrophobicContact CB-CD2 3.84Å; F97-L133 HydrophobicContact CD1-CD2 4.07Å; F97-L133 HydrophobicContact CG-CD2 4.34Å; T130-L133 HydrophobicContact CG2-CD2 4.29Å; L131-L133 PolarHBondContact O-N 2.88Å; L133-R135 PolarHBondContact O-N 3.33Å; L133-R135 VanDerWaalsContact O-N 3.07Å; L133-V138 HydrophobicContact CD2-CG1 4.38Å; L133-L146 HydrophobicContact CD1-CD2 3.68Å; L133-N148 HydrophobicContact CD1-CB 4.05Å; L133-N148 HydrophobicContact CG-CB 4.46Å; L133-N148 WeakPolarHBondContact CG-OD1 3.29Å; L133-N148 PolarHBondContact N-OD1 2.92Å; L133-N148 VanDerWaalsContact N-OD1 3.1Å
134C86.7Confident93.9Very high24 Ų2438.6 Ų38.616%0.16221%0.21CC..SBendtrans-60.9-22.4179.2-45.80000114D132 D242 V243D132-C134 PolarHBondContact O-N 3.46Å; C134-D242 VanDerWaalsContact CA-OD2 3.29Å; C134-D242 WeakPolarHBondContact CA-OD2 3.46Å; C134-D242 HydrophobicContact CB-CB 4.14Å; C134-V243 WeakPolarHBondContact SG-CG2 3.39Å
135R86.3Confident93.8Very high69 Ų6941.3 Ų41.326%0.2623%0.226SC..  trans-141.9114.8-178.8-71.2-155.8-165.4-179.712.1109.3R101 I103 L133 E137 V138R101-R135 PolarHBondContact O-NH2 2.92Å; I103-R135 VanDerWaalsContact C-NH1 3.33Å; I103-R135 HydrophobicContact CD1-CB 4.43Å; I103-R135 PolarHBondContact O-NH1 2.87Å; L133-R135 PolarHBondContact O-N 3.33Å; L133-R135 VanDerWaalsContact O-N 3.07Å; R135-E137 VanDerWaalsContact CB-OE2 3.31Å; R135-E137 WeakPolarHBondContact CB-OE2 3.34Å; R135-E137 PolarHBondContact O-N 2.71Å; R135-V138 HydrophobicContact CB-CG2 4.09Å; R135-V138 VanDerWaalsContact O-CB 3.29Å; R135-V138 WeakPolarHBondContact O-CB 3.11Å; R135-V138 WeakPolarHBondContact O-CG2 3.41Å; R135-V138 PolarHBondContact O-N 3.44Å; R135-V138 VanDerWaalsContact O-N 3.16Å
136L85.6Confident93.6Very high107 Ų10741.5 Ų41.556%0.5623%0.227SC*.G310 helixtrans-67.5-21.2-176.2-64.7178.1000112.3V138 H139L136-V138 PolarHBondContact O-N 2.85Å; L136-H139 WeakPolarHBondContact O-CB 3.3Å; L136-H139 PolarHBondContact O-N 3.32Å
137E88.7Confident93.5Very high134 Ų13439.7 Ų39.763%0.62622%0.217SC*.G310 helixtrans-60.8-27.4175-56.385.3168.700112.1R135 H139 G140R135-E137 VanDerWaalsContact CB-OE2 3.31Å; R135-E137 WeakPolarHBondContact CB-OE2 3.34Å; R135-E137 PolarHBondContact O-N 2.71Å; E137-H139 PolarHBondContact O-N 2.95Å; E137-H139 VanDerWaalsContact O-N 3.16Å; E137-G140 PolarHBondContact O-N 3.25Å
138V89.6Confident93.3Very high0 Ų037.8 Ų37.80%021%0.212CC..G310 helixtrans-58.6-27.7175.3176.30000111.2F97 T100 I103 L133 R135 L136 G140 F141 F142F97-V138 HydrophobicContact CD1-CG1 3.98Å; F97-V138 HydrophobicContact CE1-CG1 3.79Å; T100-V138 HydrophobicContact CG2-CG1 4.25Å; T100-V138 HydrophobicContact CG2-CG2 4.02Å; I103-V138 HydrophobicContact CD1-CG2 3.37Å; L133-V138 HydrophobicContact CD2-CG1 4.38Å; R135-V138 HydrophobicContact CB-CG2 4.09Å; R135-V138 VanDerWaalsContact O-CB 3.29Å; R135-V138 WeakPolarHBondContact O-CB 3.11Å; R135-V138 WeakPolarHBondContact O-CG2 3.41Å; R135-V138 PolarHBondContact O-N 3.44Å; R135-V138 VanDerWaalsContact O-N 3.16Å; L136-V138 PolarHBondContact O-N 2.85Å; V138-G140 VanDerWaalsContact C-N 3.26Å; V138-G140 PolarHBondContact O-N 3.09Å; V138-F141 HydrophobicContact CB-CD2 4.28Å; V138-F141 HydrophobicContact CG1-CD2 4.2Å; V138-F141 HydrophobicContact CG2-CD2 4.29Å; V138-F141 HydrophobicContact CG2-CE2 4.09Å; V138-F141 VanDerWaalsContact O-CB 3.26Å; V138-F141 WeakPolarHBondContact O-CB 3.28Å; V138-F141 PolarHBondContact O-N 3.04Å; V138-F142 HydrophobicContact CG1-CE2 4.06Å; V138-F142 WeakPolarHBondContact O-CD2 3.42Å
139H91.2Very high93.1Very high92 Ų9238 Ų3843%0.42621%0.214SC..G310 helixtrans-57.2-40.3174.6-168.7107.4000112.3L136 E137 F141 F142 L146L136-H139 WeakPolarHBondContact O-CB 3.3Å; L136-H139 PolarHBondContact O-N 3.32Å; E137-H139 PolarHBondContact O-N 2.95Å; E137-H139 VanDerWaalsContact O-N 3.16Å; H139-F141 PolarHBondContact O-N 3.3Å; H139-F142 PolarHBondContact O-N 3.1Å; H139-L146 HydrophobicContact CB-CD2 4.13Å; H139-L146 PolarHBondContact CE1-O 3.47Å; H139-L146 PolarHBondContact ND1-O 3.03Å
140G93.3Very high92.9Very high63 Ų6343.6 Ų43.665%0.64924%0.235SC*.G310 helixtrans-70.1-9.517700000114.4E137 V138E137-G140 PolarHBondContact O-N 3.25Å; V138-G140 VanDerWaalsContact C-N 3.26Å; V138-G140 PolarHBondContact O-N 3.09Å
141F94.1Very high92.8Very high37 Ų3743.6 Ų43.616%0.16224%0.235CC..G310 helixtrans-78.3-23.4176.7-62.3-13.7000112.6I103 I111 S113 K114 A117 V138 H139I103-F141 HydrophobicContact CD1-CE2 4.32Å; I111-F141 HydrophobicContact CG2-CD2 4.24Å; I111-F141 HydrophobicContact CG2-CE2 3.49Å; I111-F141 VanDerWaalsContact CG2-CE2 3.49Å; I111-F141 HydrophobicContact CG2-CZ 3.74Å; S113-F141 WeakPolarHBondContact OG-CE2 3.29Å; K114-F141 HydrophobicContact CB-CB 4.3Å; K114-F141 HydrophobicContact CB-CD2 3.98Å; K114-F141 HydrophobicContact CB-CE2 4.47Å; K114-F141 HydrophobicContact CB-CG 4.02Å; K114-F141 HydrophobicContact CD-CB 3.58Å; K114-F141 HydrophobicContact CD-CD1 4.13Å; K114-F141 HydrophobicContact CD-CG 3.9Å; K114-F141 PolarHBondContact NZ-O 2.83Å; A117-F141 HydrophobicContact CB-CB 4.21Å; V138-F141 HydrophobicContact CB-CD2 4.28Å; V138-F141 HydrophobicContact CG1-CD2 4.2Å; V138-F141 HydrophobicContact CG2-CD2 4.29Å; V138-F141 HydrophobicContact CG2-CE2 4.09Å; V138-F141 VanDerWaalsContact O-CB 3.26Å; V138-F141 WeakPolarHBondContact O-CB 3.28Å; V138-F141 PolarHBondContact O-N 3.04Å; H139-F141 PolarHBondContact O-N 3.3Å
142F96.6Very high92.7Very high18 Ų1844 Ų448%0.07924%0.237CC..  trans-83.5125.8-179.3-71.9-94.4000111F97 A117 I120 M128 V138 H139 I144 L146F97-F142 HydrophobicContact CE1-CE2 4.09Å; F97-F142 AromaticContact CE1-CZ 3.96Å; F97-F142 HydrophobicContact CE1-CZ 3.96Å; F97-F142 AromaticContact CE2-CZ 3.9Å; F97-F142 HydrophobicContact CE2-CZ 3.9Å; F97-F142 HydrophobicContact CZ-CE2 4.14Å; F97-F142 AromaticContact CZ-CZ 3.57Å; F97-F142 HydrophobicContact CZ-CZ 3.57Å; A117-F142 HydrophobicContact CB-CD1 3.69Å; A117-F142 HydrophobicContact CB-CD2 3.95Å; A117-F142 HydrophobicContact CB-CE1 3.63Å; A117-F142 HydrophobicContact CB-CE2 3.92Å; A117-F142 HydrophobicContact CB-CG 3.86Å; A117-F142 HydrophobicContact CB-CZ 3.77Å; I120-F142 HydrophobicContact CD1-CE1 4.43Å; M128-F142 HydrophobicContact CE-CZ 4.36Å; M128-F142 HydrophobicContact SD-CD1 4.17Å; M128-F142 HydrophobicContact SD-CE1 3.23Å; M128-F142 WeakPolarHBondContact SD-CE1 3.14Å; M128-F142 HydrophobicContact SD-CZ 3.46Å; M128-F142 WeakPolarHBondContact SD-CZ 3.45Å; V138-F142 HydrophobicContact CG1-CE2 4.06Å; V138-F142 WeakPolarHBondContact O-CD2 3.42Å; H139-F142 PolarHBondContact O-N 3.1Å; F142-I144 HydrophobicContact CB-CG1 4.3Å; F142-I144 WeakPolarHBondContact CB-O 2.98Å; F142-I144 HydrophobicContact CD1-CD1 4.41Å; F142-I144 HydrophobicContact CD1-CG1 4.09Å; F142-I144 PolarHBondContact O-N 3.17Å; F142-L146 HydrophobicContact CB-CB 4.25Å; F142-L146 HydrophobicContact CD2-CB 4.43Å; F142-L146 HydrophobicContact CD2-CD1 4.4Å; F142-L146 HydrophobicContact CD2-CD2 3.54Å; F142-L146 HydrophobicContact CD2-CG 4.35Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 3.8Å; F142-L146 HydrophobicContact CG-CB 4.31Å; F142-L146 HydrophobicContact CG-CD2 4.23Å; F142-L146 HydrophobicContact CZ-CD1 4.47Å
143S96.1Very high92.6Very high79 Ų7944.7 Ų44.755%0.55224%0.242SC*.SBendtrans-84.69.7168.963.30000112.5K121K121-S143 WeakPolarHBondContact CG-OG 3.36Å
144I97.3Very high92.7Very high10 Ų1044.9 Ų44.95%0.05125%0.245CC..SBendtrans-122.8155.8173.244.8172.5000108.4I120 K121 A125 N126 M128 F142 L146I120-I144 HydrophobicContact CG2-CD1 4.39Å; K121-I144 HydrophobicContact CD-CG2 3.36Å; A125-I144 HydrophobicContact CB-CD1 3.89Å; N126-I144 WeakPolarHBondContact O-CB 3.24Å; N126-I144 WeakPolarHBondContact O-CG2 3.44Å; M128-I144 HydrophobicContact CB-CD1 4.47Å; F142-I144 HydrophobicContact CB-CG1 4.3Å; F142-I144 WeakPolarHBondContact CB-O 2.98Å; F142-I144 HydrophobicContact CD1-CD1 4.41Å; F142-I144 HydrophobicContact CD1-CG1 4.09Å; F142-I144 PolarHBondContact O-N 3.17Å; I144-L146 PolarHBondContact O-N 2.78Å
145P96.2Very high93.2Very high64 Ų6444 Ų4442%0.41624%0.238SC..  trans-52.1125.6170.6-25.835.2000111N126 R127 M128N126-P145 WeakPolarHBondContact O-CD 3.42Å; R127-P145 WeakPolarHBondContact CA-O 3.12Å; R127-P145 HydrophobicContact CG-CB 4.31Å; R127-P145 VanDerWaalsContact CZ-CB 3.5Å; R127-P145 VanDerWaalsContact NH1-CB 3.32Å; M128-P145 PolarHBondContact N-O 2.95Å
146L95.5Very high93.7Very high6 Ų641 Ų413%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-115.8114.5174.6177.769.2000108M128 T130 L133 H139 F142 I144M128-L146 HydrophobicContact CB-CD1 3.65Å; M128-L146 HydrophobicContact CG-CD1 3.65Å; M128-L146 CarbonylContact O-C 3.56Å; M128-L146 VanDerWaalsContact O-CA 3.31Å; M128-L146 WeakPolarHBondContact O-CA 3.19Å; M128-L146 HydrophobicContact SD-CD1 3.98Å; T130-L146 HydrophobicContact CG2-CD1 3.73Å; L133-L146 HydrophobicContact CD1-CD2 3.68Å; H139-L146 HydrophobicContact CB-CD2 4.13Å; H139-L146 PolarHBondContact CE1-O 3.47Å; H139-L146 PolarHBondContact ND1-O 3.03Å; F142-L146 HydrophobicContact CB-CB 4.25Å; F142-L146 HydrophobicContact CD2-CB 4.43Å; F142-L146 HydrophobicContact CD2-CD1 4.4Å; F142-L146 HydrophobicContact CD2-CD2 3.54Å; F142-L146 HydrophobicContact CD2-CG 4.35Å; F142-L146 HydrophobicContact CE2-CD1 4.34Å; F142-L146 HydrophobicContact CE2-CD2 3.8Å; F142-L146 HydrophobicContact CG-CB 4.31Å; F142-L146 HydrophobicContact CG-CD2 4.23Å; F142-L146 HydrophobicContact CZ-CD1 4.47Å; I144-L146 PolarHBondContact O-N 2.78Å
147D94.6Very high94.2Very high34 Ų3441 Ų4118%0.18223%0.225CC..EExtended strand (participates in β ladder)trans-96103.9175.4-58.5-59.2000109.2R127 M128 I129 T130 V149 L330R127-D147 VanDerWaalsContact CD-OD2 3.29Å; R127-D147 WeakPolarHBondContact CD-OD2 3.35Å; R127-D147 IonicContact CZ-OD2 3.35Å; R127-D147 IonicContact NE-OD2 3.09Å; R127-D147 VanDerWaalsContact NH1-CG 3.31Å; R127-D147 IonicContact NH1-OD1 3.99Å; R127-D147 PolarHBondContact NH1-OD1 3.08Å; R127-D147 IonicContact NH1-OD2 2.77Å; R127-D147 PolarHBondContact NH1-OD2 3.42Å; M128-D147 PolarHBondContact O-N 3.41Å; I129-D147 CarbonylContact C-O 3.56Å; I129-D147 VanDerWaalsContact CA-O 3.3Å; I129-D147 WeakPolarHBondContact CA-O 3.38Å; I129-D147 HydrophobicContact CG1-CB 4.27Å; T130-D147 PolarHBondContact N-O 3.07Å; D147-V149 PolarHBondContact O-N 2.8Å; D147-L330 HydrophobicContact CB-CD1 3.4Å; D147-L330 VanDerWaalsContact CG-CD1 3.49Å
148N94.2Very high94.6Very high35 Ų3535.8 Ų35.819%0.18720%0.201CC..EExtended strand (participates in β ladder)trans-91.6102.6175.8-174.750.4000110.3T130 D132 L133T130-N148 PolarHBondContact OG1-OD1 3.26Å; D132-N148 PolarHBondContact N-OD1 3.4Å; L133-N148 HydrophobicContact CD1-CB 4.05Å; L133-N148 HydrophobicContact CG-CB 4.46Å; L133-N148 WeakPolarHBondContact CG-OD1 3.29Å; L133-N148 PolarHBondContact N-OD1 2.92Å; L133-N148 VanDerWaalsContact N-OD1 3.1Å
149V94.4Very high95Very high4 Ų435.9 Ų35.92%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-83.8152.3179.3-167.40000109.7I129 T130 L131 D132 D147 I316 A320 F333I129-V149 HydrophobicContact CG2-CG2 3.9Å; T130-V149 PolarHBondContact O-N 3.1Å; L131-V149 CarbonylContact C-O 3.55Å; L131-V149 VanDerWaalsContact CA-O 3.27Å; L131-V149 WeakPolarHBondContact CA-O 3.21Å; D132-V149 PolarHBondContact N-O 2.63Å; D147-V149 PolarHBondContact O-N 2.8Å; V149-I316 HydrophobicContact CB-CG2 4.27Å; V149-I316 HydrophobicContact CG1-CG2 3.28Å; V149-A320 HydrophobicContact CG2-CB 3.98Å; V149-F333 HydrophobicContact CG1-CD1 4Å; V149-F333 HydrophobicContact CG1-CE1 3.93Å
150R92.9Very high95.3Very high119 Ų11937.4 Ų37.445%0.44920%0.203SC..  trans-108137.4179.5-53.3-172.1-145.7171.95.7111.6D132 T152D132-R150 VanDerWaalsContact OD1-CA 3.28Å; D132-R150 WeakPolarHBondContact OD1-CA 3.31Å; R150-T152 WeakPolarHBondContact CB-OG1 3.45Å; R150-T152 PolarHBondContact O-N 3.37Å
151A94.4Very high95.4Very high0 Ų040 Ų400%020%0.198CC..THydrogen-bonded Turntrans-79.23.9173.400000113.7L131 D132 S153 C154 I155 T270 T293 I313L131-A151 HydrophobicContact CD1-CB 4.43Å; L131-A151 HydrophobicContact CD2-CB 3.84Å; L131-A151 HydrophobicContact CG-CB 4.43Å; D132-A151 PolarHBondContact OD2-N 3.49Å; A151-S153 VanDerWaalsContact C-N 3.26Å; A151-S153 PolarHBondContact O-N 3.44Å; A151-S153 VanDerWaalsContact O-N 3.12Å; A151-C154 PolarHBondContact O-N 2.77Å; A151-I155 HydrophobicContact CB-CD1 3.86Å; A151-I155 HydrophobicContact CB-CG1 4.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.2Å; A151-I155 PolarHBondContact O-N 3.29Å; A151-T270 HydrophobicContact CB-CG2 4.21Å; A151-T293 HydrophobicContact CB-CG2 4.09Å; A151-I313 HydrophobicContact CB-CG2 4.08Å
152T93.3Very high95.5Very high9 Ų943.9 Ų43.96%0.05522%0.215CC..Hα-helixtrans-49.5-42.8-174.2-48.70000113.2R150 V156 L185 K188R150-T152 WeakPolarHBondContact CB-OG1 3.45Å; R150-T152 PolarHBondContact O-N 3.37Å; T152-V156 HydrophobicContact CG2-CG2 4.31Å; T152-V156 WeakPolarHBondContact O-CB 3.29Å; T152-V156 WeakPolarHBondContact O-CG2 3.3Å; T152-V156 PolarHBondContact O-N 3.39Å; T152-L185 HydrophobicContact CG2-CD2 3.69Å; T152-L185 HydrophobicContact CG2-CG 4.39Å; T152-K188 HydrophobicContact CG2-CD 3.61Å
153S91.7Very high95.5Very high21 Ų2143.1 Ų43.115%0.14721%0.212CC..Hα-helixtrans-65.9-50.3-178.553.50000112.4A151 I155 V156 Q157 T337A151-S153 VanDerWaalsContact C-N 3.26Å; A151-S153 PolarHBondContact O-N 3.44Å; A151-S153 VanDerWaalsContact O-N 3.12Å; S153-I155 VanDerWaalsContact C-N 3.34Å; S153-I155 PolarHBondContact O-N 3.41Å; S153-V156 PolarHBondContact O-N 3.31Å; S153-Q157 WeakPolarHBondContact O-CB 3.35Å; S153-Q157 PolarHBondContact O-N 2.65Å; S153-T337 WeakPolarHBondContact CB-OG1 3.29Å
154C94.8Very high95.4Very high18 Ų1843.8 Ų43.812%0.12221%0.214CC..Hα-helixtrans-59.9-42.5175.3-760000111.8A151 H158 I311 I313 I316A151-C154 PolarHBondContact O-N 2.77Å; C154-H158 VanDerWaalsContact O-CB 3.3Å; C154-H158 WeakPolarHBondContact O-CB 3.27Å; C154-H158 PolarHBondContact O-N 3.07Å; C154-I311 HydrophobicContact CB-CG2 3.73Å; C154-I313 HydrophobicContact CB-CG2 4.49Å; C154-I316 HydrophobicContact CB-CD1 3.9Å; C154-I316 WeakPolarHBondContact SG-CD1 3.3Å
155I96.7Very high95.2Very high4 Ų449.1 Ų49.12%0.02124%0.243CC..Hα-helixtrans-63.9-48.5178.2-67.6167.9000111.2A151 S153 Q157 H158 I159 L185 V268 I311A151-I155 HydrophobicContact CB-CD1 3.86Å; A151-I155 HydrophobicContact CB-CG1 4.24Å; A151-I155 WeakPolarHBondContact O-CG1 3.2Å; A151-I155 PolarHBondContact O-N 3.29Å; S153-I155 VanDerWaalsContact C-N 3.34Å; S153-I155 PolarHBondContact O-N 3.41Å; I155-Q157 VanDerWaalsContact C-N 3.35Å; I155-Q157 PolarHBondContact O-N 3.25Å; I155-H158 PolarHBondContact O-N 2.88Å; I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.47Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 3.14Å; I155-L185 HydrophobicContact CB-CD2 4.13Å; I155-L185 HydrophobicContact CG2-CD1 4.44Å; I155-L185 HydrophobicContact CG2-CD2 3.74Å; I155-V268 HydrophobicContact CD1-CG1 4.35Å; I155-V268 HydrophobicContact CG1-CG1 4.5Å; I155-V268 HydrophobicContact CG2-CG1 3.64Å; I155-I311 HydrophobicContact CB-CD1 4.46Å; I155-I311 HydrophobicContact CG1-CD1 3.92Å
156V96.5Very high95.2Very high6 Ų648.3 Ų48.34%0.03623%0.232CC..Hα-helixtrans-61.2-45179.3166.20000110.9T152 S153 I159 R160 L185 K188 L189T152-V156 HydrophobicContact CG2-CG2 4.31Å; T152-V156 WeakPolarHBondContact O-CB 3.29Å; T152-V156 WeakPolarHBondContact O-CG2 3.3Å; T152-V156 PolarHBondContact O-N 3.39Å; S153-V156 PolarHBondContact O-N 3.31Å; V156-I159 PolarHBondContact O-N 3.34Å; V156-R160 WeakPolarHBondContact O-CG 3.35Å; V156-R160 PolarHBondContact O-N 3.44Å; V156-L185 HydrophobicContact CG2-CD2 3.81Å; V156-K188 HydrophobicContact CG1-CB 4.29Å; V156-K188 HydrophobicContact CG2-CB 3.83Å; V156-K188 HydrophobicContact CG2-CD 4.16Å; V156-L189 HydrophobicContact CG1-CD2 3.9Å; V156-L189 HydrophobicContact CG1-CG 4.34Å; V156-L189 HydrophobicContact CG2-CG 4.4Å
157Q95.7Very high95.3Very high108 Ų10855.7 Ų55.751%0.50526%0.264SS..Hα-helixtrans-60-47.5176.3-179.6177.1-1000110.9S153 I155 I159 R160 E161S153-Q157 WeakPolarHBondContact O-CB 3.35Å; S153-Q157 PolarHBondContact O-N 2.65Å; I155-Q157 VanDerWaalsContact C-N 3.35Å; I155-Q157 PolarHBondContact O-N 3.25Å; Q157-I159 PolarHBondContact O-N 3.07Å; Q157-R160 PolarHBondContact O-N 3.36Å; Q157-E161 HydrophobicContact CG-CG 4.49Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 3.4Å; Q157-E161 WeakPolarHBondContact O-CG 3.48Å; Q157-E161 PolarHBondContact O-N 3.34Å
158H97.3Very high95.4Very high25 Ų2557.4 Ų57.412%0.11627%0.273CS..Hα-helixtrans-61-43.4179.7-16689.6000112.5C154 I155 R160 E161 K162 F291 I311C154-H158 VanDerWaalsContact O-CB 3.3Å; C154-H158 WeakPolarHBondContact O-CB 3.27Å; C154-H158 PolarHBondContact O-N 3.07Å; I155-H158 PolarHBondContact O-N 2.88Å; H158-R160 VanDerWaalsContact C-N 3.35Å; H158-R160 PolarHBondContact O-N 3.26Å; H158-E161 PolarHBondContact O-N 3.3Å; H158-K162 VanDerWaalsContact O-CB 3.31Å; H158-K162 WeakPolarHBondContact O-CB 3.44Å; H158-K162 PolarHBondContact O-N 3.06Å; H158-F291 AromaticContact CD2-CD2 3.81Å; H158-F291 AromaticContact CD2-CE2 3.99Å; H158-F291 AromaticContact CD2-CG 3.93Å; H158-F291 AromaticContact NE2-CD1 3.95Å; H158-I311 HydrophobicContact CB-CD1 4.03Å; H158-I311 HydrophobicContact CB-CG1 3.97Å; H158-I311 HydrophobicContact CB-CG2 4.44Å
159I97.8Very high95.6Very high1 Ų155.8 Ų55.81%0.00527%0.265CS..Hα-helixtrans-61.3-44.5176.5-69.3168.3000110.6I155 V156 Q157 E161 V163 Y166 M171 L189 I238 V268 F291I155-I159 HydrophobicContact CG2-CD1 3.81Å; I155-I159 HydrophobicContact CG2-CG1 4.47Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 3.14Å; V156-I159 PolarHBondContact O-N 3.34Å; Q157-I159 PolarHBondContact O-N 3.07Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 3.08Å; I159-V163 HydrophobicContact CG2-CB 4.25Å; I159-V163 HydrophobicContact CG2-CG2 4.14Å; I159-V163 VanDerWaalsContact O-CB 3.3Å; I159-V163 WeakPolarHBondContact O-CB 3.3Å; I159-V163 PolarHBondContact O-N 3.31Å; I159-Y166 HydrophobicContact CG2-CG 4.44Å; I159-M171 HydrophobicContact CD1-CE 4.28Å; I159-L189 HydrophobicContact CB-CD1 4.38Å; I159-L189 HydrophobicContact CD1-CD1 3.95Å; I159-L189 HydrophobicContact CG2-CD1 3.91Å; I159-L189 HydrophobicContact CG2-CD2 4.17Å; I159-I238 HydrophobicContact CG2-CD1 4.21Å; I159-V268 HydrophobicContact CD1-CG2 4.32Å; I159-F291 HydrophobicContact CG1-CD2 4.36Å; I159-F291 HydrophobicContact CG1-CE2 4.46Å
160R97Very high95.8Very high124 Ų12455.8 Ų55.847%0.46826%0.264SS..Hα-helixtrans-61.3-36.5178.5-73.3174.6178.7163.8-0.3112.6V156 Q157 H158 Y166 K188 L189V156-R160 WeakPolarHBondContact O-CG 3.35Å; V156-R160 PolarHBondContact O-N 3.44Å; Q157-R160 PolarHBondContact O-N 3.36Å; H158-R160 VanDerWaalsContact C-N 3.35Å; H158-R160 PolarHBondContact O-N 3.26Å; R160-Y166 HydrophobicContact CB-CE1 4.19Å; R160-Y166 HydrophobicContact CG-CD1 4.46Å; R160-Y166 HydrophobicContact CG-CE1 3.9Å; R160-Y166 HydrophobicContact CG-CE2 4.31Å; R160-K188 PolarHBondContact NH2-O 3.18Å; R160-L189 HydrophobicContact CG-CD2 3.79Å
161E96.5Very high96.1Very high119 Ų11950.1 Ų50.156%0.55624%0.243SC*.Hα-helixtrans-82.9-37.4-178.1-70.4173.9-170.900113.3Q157 H158 I159Q157-E161 HydrophobicContact CG-CG 4.49Å; Q157-E161 WeakPolarHBondContact CG-OE1 3.49Å; Q157-E161 PolarHBondContact NE2-OE1 3.4Å; Q157-E161 WeakPolarHBondContact O-CG 3.48Å; Q157-E161 PolarHBondContact O-N 3.34Å; H158-E161 PolarHBondContact O-N 3.3Å; I159-E161 VanDerWaalsContact C-N 3.28Å; I159-E161 PolarHBondContact O-N 3.08Å
162K96.6Very high96.3Very high117 Ų11750.1 Ų50.151%0.50924%0.243SC..Hα-helixtrans-104.7-15.9-169.3-61.3-58.2-175.2-176.40115H158 P164 F291H158-K162 VanDerWaalsContact O-CB 3.31Å; H158-K162 WeakPolarHBondContact O-CB 3.44Å; H158-K162 PolarHBondContact O-N 3.06Å; K162-P164 VanDerWaalsContact O-CD 3.26Å; K162-P164 WeakPolarHBondContact O-CD 3.42Å; K162-F291 HydrophobicContact CB-CZ 4.27Å
163V96.7Very high96.4Very high3 Ų349.7 Ų49.72%0.01824%0.24CC..SBendtrans-107.899.5179.3-173.70000109.9I159 N165 Y166 I236 I266 F291I159-V163 HydrophobicContact CG2-CB 4.25Å; I159-V163 HydrophobicContact CG2-CG2 4.14Å; I159-V163 VanDerWaalsContact O-CB 3.3Å; I159-V163 WeakPolarHBondContact O-CB 3.3Å; I159-V163 PolarHBondContact O-N 3.31Å; V163-N165 PolarHBondContact O-N 3.13Å; V163-Y166 PolarHBondContact O-N 2.83Å; V163-I236 HydrophobicContact CG1-CD1 3.73Å; V163-I266 HydrophobicContact CB-CD1 4.38Å; V163-I266 HydrophobicContact CG1-CD1 3.83Å; V163-I266 HydrophobicContact CG2-CD1 3.59Å; V163-F291 HydrophobicContact CG2-CE2 3.58Å; V163-F291 HydrophobicContact CG2-CZ 3.93Å
164P92.9Very high96.5Very high93 Ų9349.3 Ų49.360%0.60424%0.236SC*.THydrogen-bonded Turntrans-56.2138.2170.3-21.732.1000110.1K162 Y166K162-P164 VanDerWaalsContact O-CD 3.26Å; K162-P164 WeakPolarHBondContact O-CD 3.42Å; P164-Y166 VanDerWaalsContact C-N 3.26Å; P164-Y166 PolarHBondContact O-N 3.39Å
165N93.2Very high96.2Very high121 Ų12149.9 Ų49.965%0.64724%0.24SC*.THydrogen-bonded Turntrans57.432.4-179.4-58.4-24.3000114.5V163 K167 N168V163-N165 PolarHBondContact O-N 3.13Å; N165-K167 PolarHBondContact O-N 3.29Å; N165-N168 PolarHBondContact O-N 2.97Å
166Y96.9Very high95.8Very high48 Ų4853.3 Ų53.319%0.18826%0.263CS..G310 helixtrans-52.5-23.7176.375-95.9000113.6I159 R160 V163 P164 N168 A169 L189I159-Y166 HydrophobicContact CG2-CG 4.44Å; R160-Y166 HydrophobicContact CB-CE1 4.19Å; R160-Y166 HydrophobicContact CG-CD1 4.46Å; R160-Y166 HydrophobicContact CG-CE1 3.9Å; R160-Y166 HydrophobicContact CG-CE2 4.31Å; V163-Y166 PolarHBondContact O-N 2.83Å; P164-Y166 VanDerWaalsContact C-N 3.26Å; P164-Y166 PolarHBondContact O-N 3.39Å; Y166-N168 PolarHBondContact O-N 3.4Å; Y166-A169 WeakPolarHBondContact O-CB 3.32Å; Y166-A169 PolarHBondContact O-N 3.36Å; Y166-L189 HydrophobicContact CD2-CB 4.47Å; Y166-L189 HydrophobicContact CD2-CD2 3.92Å; Y166-L189 HydrophobicContact CE2-CB 4.5Å; Y166-L189 HydrophobicContact CE2-CD2 3.93Å
167K97.2Very high95.4Very high161 Ų16158.5 Ų58.570%0.729%0.294SS*.G310 helixtrans-63.7-23.8174.4-66.6-172.9177-176.70113.8N165 A169N165-K167 PolarHBondContact O-N 3.29Å; K167-A169 VanDerWaalsContact C-N 3.26Å
168N97.3Very high95.1Very high69 Ų6953.4 Ų53.437%0.36927%0.271SS..G310 helixtrans-9220.8170.6-169.144000111.9N165 Y166 G234 R235 I236N165-N168 PolarHBondContact O-N 2.97Å; Y166-N168 PolarHBondContact O-N 3.4Å; N168-G234 PolarHBondContact ND2-O 2.86Å; N168-R235 WeakPolarHBondContact O-CA 3.28Å; N168-R235 VanDerWaalsContact O-CB 3.23Å; N168-R235 WeakPolarHBondContact O-CB 3.28Å; N168-I236 PolarHBondContact O-N 3.48Å; N168-I236 VanDerWaalsContact O-N 3.1Å
169A98.1Very high95Very high2 Ų253.8 Ų53.82%0.01728%0.275CS..EExtended strand (participates in β ladder)trans-93.9162.9172.800000111.6Y166 K167 I191 I236 I238Y166-A169 WeakPolarHBondContact O-CB 3.32Å; Y166-A169 PolarHBondContact O-N 3.36Å; K167-A169 VanDerWaalsContact C-N 3.26Å; A169-I191 HydrophobicContact CB-CD1 4.11Å; A169-I236 CarbonylContact C-O 3.51Å; A169-I236 WeakPolarHBondContact CA-O 3.45Å; A169-I236 HydrophobicContact CB-CB 3.83Å; A169-I236 HydrophobicContact CB-CG2 4.38Å; A169-I238 HydrophobicContact CB-CD1 3.61Å; A169-I238 HydrophobicContact CB-CG1 4.02Å
170V98.4Very high94.7Very high3 Ų361.2 Ų61.22%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-126.4130167.4175.60000107.2V172 A194 V232 R235 I236 I238V170-V172 HydrophobicContact CG1-CG2 4.45Å; V170-A194 HydrophobicContact CG1-CB 3.8Å; V170-V232 HydrophobicContact CB-CG1 4.33Å; V170-V232 HydrophobicContact CG1-CG1 4.26Å; V170-R235 HydrophobicContact CG2-CB 4.31Å; V170-R235 VanDerWaalsContact CG2-CD 3.4Å; V170-R235 HydrophobicContact CG2-CG 4.49Å; V170-I236 PolarHBondContact N-O 3.15Å; V170-I238 PolarHBondContact O-N 3.38Å
171M98.4Very high94.5Very high0 Ų056.9 Ų56.90%029%0.294CS..EExtended strand (participates in β ladder)trans-78.8121174.5-160.564.173.900109I159 A182 L185 A186 L189 I191 G192 V193 A194 I238 V240I159-M171 HydrophobicContact CD1-CE 4.28Å; M171-A182 HydrophobicContact CG-CB 4Å; M171-A182 WeakPolarHBondContact CG-O 3.16Å; M171-L185 HydrophobicContact CE-CB 3.69Å; M171-L185 HydrophobicContact SD-CB 4.46Å; M171-A186 HydrophobicContact CB-CB 3.74Å; M171-A186 HydrophobicContact CG-CB 4.35Å; M171-L189 HydrophobicContact CE-CD1 3.58Å; M171-I191 HydrophobicContact CB-CD1 4.16Å; M171-I191 HydrophobicContact CE-CD1 4.01Å; M171-G192 PolarHBondContact N-O 2.99Å; M171-V193 CarbonylContact O-C 3.48Å; M171-V193 VanDerWaalsContact O-CA 3.23Å; M171-V193 WeakPolarHBondContact O-CA 3.35Å; M171-A194 PolarHBondContact O-N 3.37Å; M171-I238 HydrophobicContact CE-CG2 4.28Å; M171-I238 HydrophobicContact SD-CB 3.83Å; M171-I238 HydrophobicContact SD-CG2 3.59Å; M171-I238 VanDerWaalsContact SD-CG2 3.59Å; M171-V240 HydrophobicContact CG-CG2 3.76Å; M171-V240 HydrophobicContact SD-CG2 3.14Å; M171-V240 WeakPolarHBondContact SD-CG2 3.33Å
172V98.4Very high94.5Very high0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-109.6113.2-175.2-169.90000109V170 K174 A194 F196 L228 V232 I238 L239 V240 L257V170-V172 HydrophobicContact CG1-CG2 4.45Å; V172-K174 PolarHBondContact O-N 3.21Å; V172-A194 CarbonylContact C-O 3.54Å; V172-A194 VanDerWaalsContact CA-O 3.31Å; V172-A194 WeakPolarHBondContact CA-O 3.35Å; V172-A194 HydrophobicContact CG1-CB 4.38Å; V172-A194 HydrophobicContact CG2-CB 4.29Å; V172-F196 HydrophobicContact CG1-CD2 3.53Å; V172-F196 HydrophobicContact CG1-CE2 3.58Å; V172-L228 HydrophobicContact CG1-CD1 3.88Å; V172-V232 HydrophobicContact CG2-CG1 4.34Å; V172-I238 PolarHBondContact N-O 3Å; V172-L239 HydrophobicContact CB-CD1 4.22Å; V172-L239 HydrophobicContact CG1-CD1 4.05Å; V172-L239 CarbonylContact O-C 3.57Å; V172-L239 WeakPolarHBondContact O-CA 3.49Å; V172-V240 PolarHBondContact O-N 3.34Å; V172-L257 HydrophobicContact CG1-CD2 4.31Å; V172-L257 HydrophobicContact CG2-CD1 4.47Å; V172-L257 HydrophobicContact CG2-CD2 4.01Å
173A97.1Very high94.5Very high0 Ų047.9 Ų47.90%026%0.257CS..EExtended strand (participates in β ladder)trans-72.8120.8171.800000109.5S175 V178 V179 A182 A194 I195 F196A173-S175 PolarHBondContact O-N 2.89Å; A173-V178 HydrophobicContact CB-CG2 4.18Å; A173-V179 HydrophobicContact CB-CB 4.39Å; A173-V179 HydrophobicContact CB-CG2 3.79Å; A173-A182 HydrophobicContact CB-CB 3.74Å; A173-A194 PolarHBondContact N-O 3.49Å; A173-I195 HydrophobicContact CB-CG1 4.28Å; A173-I195 HydrophobicContact CB-CG2 4.3Å; A173-F196 PolarHBondContact O-N 3.13Å
174K93.2Very high94.4Very high14 Ų1449.2 Ų49.26%0.06127%0.266CS..SBendtrans-58.3-32.3177.5171.2152.7-176.7-12.20113.1V172 V178 F196 L239 V240 D241 E249 F250 E253V172-K174 PolarHBondContact O-N 3.21Å; K174-V178 HydrophobicContact CB-CG2 4.3Å; K174-F196 VanDerWaalsContact O-CB 3.27Å; K174-F196 WeakPolarHBondContact O-CB 3.39Å; K174-L239 HydrophobicContact CB-CD1 3.86Å; K174-L239 HydrophobicContact CB-CG 4.4Å; K174-V240 WeakPolarHBondContact CB-O 3.38Å; K174-V240 PolarHBondContact N-O 3.1Å; K174-V240 VanDerWaalsContact N-O 3.12Å; K174-D241 HydrophobicContact CB-CB 4.2Å; K174-D241 HydrophobicContact CD-CB 4.18Å; K174-D241 VanDerWaalsContact CD-OD2 3.25Å; K174-D241 WeakPolarHBondContact CD-OD2 3.38Å; K174-E249 IonicContact NZ-OE2 2.92Å; K174-E249 PolarHBondContact NZ-OE2 2.79Å; K174-F250 HydrophobicContact CD-CD1 3.75Å; K174-F250 HydrophobicContact CD-CD2 4.31Å; K174-F250 HydrophobicContact CD-CE1 3.42Å; K174-F250 VanDerWaalsContact CD-CE1 3.42Å; K174-F250 HydrophobicContact CD-CE2 4.02Å; K174-F250 HydrophobicContact CD-CG 4.19Å; K174-F250 HydrophobicContact CD-CZ 3.57Å; K174-E253 WeakPolarHBondContact CD-OE2 3.13Å; K174-E253 WeakPolarHBondContact CE-OE1 3.21Å; K174-E253 WeakPolarHBondContact CE-OE2 3.22Å; K174-E253 WeakPolarHBondContact CG-OE1 3.34Å; K174-E253 WeakPolarHBondContact CG-OE2 3.47Å; K174-E253 IonicContact NZ-OE1 2.67Å; K174-E253 PolarHBondContact NZ-OE1 3.34Å; K174-E253 IonicContact NZ-OE2 2.67Å
175S89.4Confident94.6Very high30 Ų3044.9 Ų44.921%0.2124%0.238CC..SBendtrans-152.4167.5177.371.50000111.5A173 T177 V178A173-S175 PolarHBondContact O-N 2.89Å; S175-T177 PolarHBondContact O-N 2.84Å; S175-T177 VanDerWaalsContact O-N 3.1Å; S175-T177 PolarHBondContact OG-OG1 3.22Å; S175-V178 VanDerWaalsContact O-CG2 3.24Å; S175-V178 WeakPolarHBondContact O-CG2 3.25Å; S175-V178 PolarHBondContact O-N 2.87Å; S175-V178 VanDerWaalsContact O-N 3.15Å
176P88.2Confident94.8Very high75 Ų7539.1 Ų39.149%0.48721%0.207SC..G310 helixtrans-56.9-26.4177.4-28.737.9000114.4V178 V179P176-V178 VanDerWaalsContact C-N 3.32Å; P176-V178 PolarHBondContact O-N 3.27Å; P176-V179 WeakPolarHBondContact O-CG2 3.27Å
177T86.3Confident94.8Very high115 Ų11542.2 Ų42.271%0.70623%0.227SC*.G310 helixtrans-72.6-26.5-178.156.60000112.8S175S175-T177 PolarHBondContact O-N 2.84Å; S175-T177 VanDerWaalsContact O-N 3.1Å; S175-T177 PolarHBondContact OG-OG1 3.22Å
178V90.8Very high94.6Very high2 Ų237.2 Ų37.21%0.01221%0.205CC..G310 helixtrans-100.35-178.2-62.80000113.6A173 K174 S175 P176 Q180 K181 A182 V240 D241A173-V178 HydrophobicContact CB-CG2 4.18Å; K174-V178 HydrophobicContact CB-CG2 4.3Å; S175-V178 VanDerWaalsContact O-CG2 3.24Å; S175-V178 WeakPolarHBondContact O-CG2 3.25Å; S175-V178 PolarHBondContact O-N 2.87Å; S175-V178 VanDerWaalsContact O-N 3.15Å; P176-V178 VanDerWaalsContact C-N 3.32Å; P176-V178 PolarHBondContact O-N 3.27Å; V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 3.33Å; V178-K181 PolarHBondContact O-N 3.12Å; V178-K181 VanDerWaalsContact O-N 3.15Å; V178-A182 PolarHBondContact O-N 3.13Å; V178-V240 WeakPolarHBondContact CG2-O 3.28Å; V178-D241 WeakPolarHBondContact CG1-OD1 3.16Å
179V94Very high94.6Very high33 Ų3334.4 Ų34.420%0.219%0.19CC..Hα-helixtrans-57.5-43.1-179.41750000111.5A173 P176 K181 A182 T183 I195A173-V179 HydrophobicContact CB-CB 4.39Å; A173-V179 HydrophobicContact CB-CG2 3.79Å; P176-V179 WeakPolarHBondContact O-CG2 3.27Å; V179-K181 VanDerWaalsContact C-N 3.31Å; V179-K181 PolarHBondContact O-N 2.67Å; V179-A182 PolarHBondContact O-N 3.06Å; V179-T183 WeakPolarHBondContact O-CB 3.45Å; V179-T183 PolarHBondContact O-N 3.09Å; V179-T183 PolarHBondContact O-OG1 3.14Å; V179-I195 HydrophobicContact CB-CD1 4.45Å; V179-I195 HydrophobicContact CG1-CD1 3.78Å; V179-I195 HydrophobicContact CG1-CG1 4.43Å; V179-I195 HydrophobicContact CG2-CB 4.49Å; V179-I195 HydrophobicContact CG2-CD1 3.72Å; V179-I195 HydrophobicContact CG2-CG1 3.95Å; V179-I195 HydrophobicContact CG2-CG2 3.71Å
180Q92.3Very high94.5Very high156 Ų15637.5 Ų37.573%0.72922%0.223SC*.Hα-helixtrans-60.4-40.2179.5-67.6-176.6-2.800112.5V178 S184V178-Q180 VanDerWaalsContact C-N 3.31Å; V178-Q180 PolarHBondContact O-N 3.33Å; Q180-S184 WeakPolarHBondContact O-CB 3.35Å; Q180-S184 PolarHBondContact O-N 2.98Å
181K93.6Very high94.5Very high33 Ų3338.3 Ų38.314%0.14323%0.227CC..Hα-helixtrans-66.9-47.7175.8175.5178-79.6-175.80110.7D132 V178 V179 T183 S184 L185 V240 D242 T270D132-K181 IonicContact OD2-NZ 3.63Å; V178-K181 PolarHBondContact O-N 3.12Å; V178-K181 VanDerWaalsContact O-N 3.15Å; V179-K181 VanDerWaalsContact C-N 3.31Å; V179-K181 PolarHBondContact O-N 2.67Å; K181-T183 PolarHBondContact O-N 2.98Å; K181-S184 PolarHBondContact O-N 3.45Å; K181-L185 HydrophobicContact CG-CD1 4.11Å; K181-L185 WeakPolarHBondContact O-CG 3.45Å; K181-L185 PolarHBondContact O-N 2.86Å; K181-V240 HydrophobicContact CD-CG1 3.99Å; K181-V240 HydrophobicContact CG-CG1 4.11Å; K181-D242 WeakPolarHBondContact CE-OD1 3.49Å; K181-D242 IonicContact NZ-OD1 2.77Å; K181-D242 PolarHBondContact NZ-OD1 3.18Å; K181-T270 PolarHBondContact NZ-OG1 2.86Å
182A96Very high94.4Very high0 Ų040 Ų400%024%0.244CC..Hα-helixtrans-59-46.5178.600000111.5M171 A173 V178 V179 L185 A186 V240M171-A182 HydrophobicContact CG-CB 4Å; M171-A182 WeakPolarHBondContact CG-O 3.16Å; A173-A182 HydrophobicContact CB-CB 3.74Å; V178-A182 PolarHBondContact O-N 3.13Å; V179-A182 PolarHBondContact O-N 3.06Å; A182-L185 PolarHBondContact O-N 2.9Å; A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.31Å; A182-A186 PolarHBondContact O-N 2.77Å; A182-V240 HydrophobicContact CB-CB 4.43Å
183T96.2Very high94.4Very high48 Ų4842.4 Ų42.429%0.29426%0.259SS..Hα-helixtrans-60.3-47.3175.3-58.80000111.4V179 K181 L185 A186 D187V179-T183 WeakPolarHBondContact O-CB 3.45Å; V179-T183 PolarHBondContact O-N 3.09Å; V179-T183 PolarHBondContact O-OG1 3.14Å; K181-T183 PolarHBondContact O-N 2.98Å; T183-L185 VanDerWaalsContact C-N 3.29Å; T183-L185 PolarHBondContact O-N 3.3Å; T183-A186 WeakPolarHBondContact O-CB 3.38Å; T183-A186 PolarHBondContact O-N 3.49Å; T183-D187 PolarHBondContact O-N 3.21Å
184S94.4Very high94.4Very high30 Ų3042.5 Ų42.521%0.2126%0.259CS..Hα-helixtrans-60.4-36.7178.3-176.10000113.5Q180 K181 K188Q180-S184 WeakPolarHBondContact O-CB 3.35Å; Q180-S184 PolarHBondContact O-N 2.98Å; K181-S184 PolarHBondContact O-N 3.45Å; S184-K188 WeakPolarHBondContact O-CG 3.43Å; S184-K188 PolarHBondContact O-N 2.96Å
185L96.5Very high94.6Very high2 Ų243.7 Ų43.71%0.0127%0.266CS..Hα-helixtrans-69.9-42.3173.2-71.9167.1000111.6T152 I155 V156 M171 K181 A182 T183 K188 L189 V240T152-L185 HydrophobicContact CG2-CD2 3.69Å; T152-L185 HydrophobicContact CG2-CG 4.39Å; I155-L185 HydrophobicContact CB-CD2 4.13Å; I155-L185 HydrophobicContact CG2-CD1 4.44Å; I155-L185 HydrophobicContact CG2-CD2 3.74Å; V156-L185 HydrophobicContact CG2-CD2 3.81Å; M171-L185 HydrophobicContact CE-CB 3.69Å; M171-L185 HydrophobicContact SD-CB 4.46Å; K181-L185 HydrophobicContact CG-CD1 4.11Å; K181-L185 WeakPolarHBondContact O-CG 3.45Å; K181-L185 PolarHBondContact O-N 2.86Å; A182-L185 PolarHBondContact O-N 2.9Å; T183-L185 VanDerWaalsContact C-N 3.29Å; T183-L185 PolarHBondContact O-N 3.3Å; L185-K188 PolarHBondContact O-N 2.89Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-N 3.11Å; L185-V240 HydrophobicContact CD1-CG1 3.92Å; L185-V240 HydrophobicContact CD1-CG2 4.11Å
186A97.3Very high94.9Very high0 Ų042.3 Ų42.30%026%0.256CS..Hα-helixtrans-64.2-43.8-179.500000112.1M171 A182 T183 K188 L189 G190 I191 V193M171-A186 HydrophobicContact CB-CB 3.74Å; M171-A186 HydrophobicContact CG-CB 4.35Å; A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.31Å; A182-A186 PolarHBondContact O-N 2.77Å; T183-A186 WeakPolarHBondContact O-CB 3.38Å; T183-A186 PolarHBondContact O-N 3.49Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 2.98Å; A186-L189 CarbonylContact O-C 3.23Å; A186-L189 PolarHBondContact O-N 3.46Å; A186-G190 PolarHBondContact O-N 2.62Å; A186-I191 HydrophobicContact CB-CG1 4.02Å; A186-I191 PolarHBondContact O-N 3.01Å; A186-V193 HydrophobicContact CB-CG2 3.4Å; A186-V193 VanDerWaalsContact CB-CG2 3.4Å
187D96.9Very high94.9Very high114 Ų11442.1 Ų42.161%0.6125%0.249SC*.Hα-helixtrans-60.1-44.6177.3-66-22.9000110.8T183 L189 G190T183-D187 PolarHBondContact O-N 3.21Å; D187-L189 PolarHBondContact O-N 2.85Å; D187-G190 PolarHBondContact O-N 3.39Å
188K94.9Very high94.4Very high55 Ų5539.7 Ų39.724%0.23924%0.237CC..Hα-helixtrans-66.7-24.6176.5-73.4-177.4177-1680113.4T152 V156 R160 S184 L185 A186T152-K188 HydrophobicContact CG2-CD 3.61Å; V156-K188 HydrophobicContact CG1-CB 4.29Å; V156-K188 HydrophobicContact CG2-CB 3.83Å; V156-K188 HydrophobicContact CG2-CD 4.16Å; R160-K188 PolarHBondContact NH2-O 3.18Å; S184-K188 WeakPolarHBondContact O-CG 3.43Å; S184-K188 PolarHBondContact O-N 2.96Å; L185-K188 PolarHBondContact O-N 2.89Å; A186-K188 VanDerWaalsContact C-N 3.34Å; A186-K188 PolarHBondContact O-N 2.98Å
189L96.6Very high92.9Very high10 Ų1042.4 Ų42.45%0.05226%0.256CS..Hα-helixtrans-94.9-10.9176.2-70.3169.5000112.9V156 I159 R160 Y166 M171 L185 A186 D187 I191V156-L189 HydrophobicContact CG1-CD2 3.9Å; V156-L189 HydrophobicContact CG1-CG 4.34Å; V156-L189 HydrophobicContact CG2-CG 4.4Å; I159-L189 HydrophobicContact CB-CD1 4.38Å; I159-L189 HydrophobicContact CD1-CD1 3.95Å; I159-L189 HydrophobicContact CG2-CD1 3.91Å; I159-L189 HydrophobicContact CG2-CD2 4.17Å; R160-L189 HydrophobicContact CG-CD2 3.79Å; Y166-L189 HydrophobicContact CD2-CB 4.47Å; Y166-L189 HydrophobicContact CD2-CD2 3.92Å; Y166-L189 HydrophobicContact CE2-CB 4.5Å; Y166-L189 HydrophobicContact CE2-CD2 3.93Å; M171-L189 HydrophobicContact CE-CD1 3.58Å; L185-L189 WeakPolarHBondContact O-CG 3.48Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-N 3.11Å; A186-L189 CarbonylContact O-C 3.23Å; A186-L189 PolarHBondContact O-N 3.46Å; D187-L189 PolarHBondContact O-N 2.85Å; L189-I191 HydrophobicContact CB-CD1 4.15Å; L189-I191 HydrophobicContact CB-CG1 3.97Å; L189-I191 HydrophobicContact CB-CG2 4.28Å; L189-I191 HydrophobicContact CD1-CD1 4.12Å
190G96.6Very high90.9Very high68 Ų6847.4 Ų47.470%0.70128%0.275SS*.THydrogen-bonded Turntrans64.338.1-174.300000113.1A186 D187A186-G190 PolarHBondContact O-N 2.62Å; D187-G190 PolarHBondContact O-N 3.39Å
191I97.5Very high88.5Confident19 Ų1943 Ų4310%0.09727%0.271CS..  trans-120.8164.8-177.465.5175.5000112.2A169 M171 A186 L189A169-I191 HydrophobicContact CB-CD1 4.11Å; M171-I191 HydrophobicContact CB-CD1 4.16Å; M171-I191 HydrophobicContact CE-CD1 4.01Å; A186-I191 HydrophobicContact CB-CG1 4.02Å; A186-I191 PolarHBondContact O-N 3.01Å; L189-I191 HydrophobicContact CB-CD1 4.15Å; L189-I191 HydrophobicContact CB-CG1 3.97Å; L189-I191 HydrophobicContact CB-CG2 4.28Å; L189-I191 HydrophobicContact CD1-CD1 4.12Å
192G96.9Very high85.8Confident35 Ų3542.3 Ų42.336%0.36127%0.273SS..EExtended strand (participates in β ladder)trans-74.1164.6178.600000113.5M171M171-G192 PolarHBondContact N-O 2.99Å
193V98Very high83Confident52 Ų5247.1 Ų47.132%0.31531%0.305SS..EExtended strand (participates in β ladder)trans-117.2139.2176-178.20000110.3M171 A186 I195M171-V193 CarbonylContact O-C 3.48Å; M171-V193 VanDerWaalsContact O-CA 3.23Å; M171-V193 WeakPolarHBondContact O-CA 3.35Å; A186-V193 HydrophobicContact CB-CG2 3.4Å; A186-V193 VanDerWaalsContact CB-CG2 3.4Å; V193-I195 HydrophobicContact CG1-CG1 4.27Å
194A97.7Very high80.2Confident1 Ų145.9 Ų45.91%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-125159165.200000109.5V170 M171 V172 A173 L228 S229 V232V170-A194 HydrophobicContact CG1-CB 3.8Å; M171-A194 PolarHBondContact O-N 3.37Å; V172-A194 CarbonylContact C-O 3.54Å; V172-A194 VanDerWaalsContact CA-O 3.31Å; V172-A194 WeakPolarHBondContact CA-O 3.35Å; V172-A194 HydrophobicContact CG1-CB 4.38Å; V172-A194 HydrophobicContact CG2-CB 4.29Å; A173-A194 PolarHBondContact N-O 3.49Å; A194-L228 HydrophobicContact CB-CD1 4.07Å; A194-S229 CarbonylContact C-O 3.56Å; A194-S229 VanDerWaalsContact CA-O 3.28Å; A194-S229 WeakPolarHBondContact CA-O 3.16Å; A194-S229 WeakPolarHBondContact CB-O 3.48Å; A194-V232 HydrophobicContact CB-CG1 4.33Å
195I97.3Very high77.6Confident39 Ų3947.8 Ų47.820%0.231%0.308CS..EExtended strand (participates in β ladder)trans-135.1131.6-173.6-52.9171.3000109.3A173 V179 V193 H197 S229A173-I195 HydrophobicContact CB-CG1 4.28Å; A173-I195 HydrophobicContact CB-CG2 4.3Å; V179-I195 HydrophobicContact CB-CD1 4.45Å; V179-I195 HydrophobicContact CG1-CD1 3.78Å; V179-I195 HydrophobicContact CG1-CG1 4.43Å; V179-I195 HydrophobicContact CG2-CB 4.49Å; V179-I195 HydrophobicContact CG2-CD1 3.72Å; V179-I195 HydrophobicContact CG2-CG1 3.95Å; V179-I195 HydrophobicContact CG2-CG2 3.71Å; V193-I195 HydrophobicContact CG1-CG1 4.27Å; I195-H197 WeakPolarHBondContact CG2-NE2 3.11Å; I195-S229 PolarHBondContact N-O 2.77Å; I195-S229 PolarHBondContact O-N 3.47Å
196F94.9Very high75Confident2 Ų249.3 Ų49.31%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-83.5135.4166.3-84.1-70000111.1V172 A173 K174 I227 L228 L239 E253 V256 L257V172-F196 HydrophobicContact CG1-CD2 3.53Å; V172-F196 HydrophobicContact CG1-CE2 3.58Å; A173-F196 PolarHBondContact O-N 3.13Å; K174-F196 VanDerWaalsContact O-CB 3.27Å; K174-F196 WeakPolarHBondContact O-CB 3.39Å; F196-I227 WeakPolarHBondContact CA-O 3.26Å; F196-L228 HydrophobicContact CD1-CB 4.14Å; F196-L228 HydrophobicContact CD1-CD1 4.08Å; F196-L228 HydrophobicContact CD2-CD1 4.11Å; F196-L228 HydrophobicContact CE1-CB 3.83Å; F196-L228 HydrophobicContact CE1-CD1 3.95Å; F196-L228 HydrophobicContact CE1-CG 4.38Å; F196-L228 HydrophobicContact CE2-CD1 3.97Å; F196-L228 HydrophobicContact CG-CD1 4.17Å; F196-L228 HydrophobicContact CZ-CB 4.42Å; F196-L228 HydrophobicContact CZ-CD1 3.88Å; F196-L239 HydrophobicContact CD2-CD1 3.89Å; F196-L239 HydrophobicContact CE2-CD1 3.99Å; F196-E253 HydrophobicContact CD1-CG 4.35Å; F196-E253 HydrophobicContact CD2-CB 4.2Å; F196-E253 HydrophobicContact CD2-CG 4.07Å; F196-E253 HydrophobicContact CE1-CB 4.42Å; F196-E253 HydrophobicContact CE1-CG 4.36Å; F196-E253 HydrophobicContact CE2-CB 3.73Å; F196-E253 HydrophobicContact CE2-CG 4.09Å; F196-E253 HydrophobicContact CG-CG 4.2Å; F196-E253 HydrophobicContact CZ-CB 3.86Å; F196-E253 HydrophobicContact CZ-CG 4.23Å; F196-E253 WeakPolarHBondContact CZ-O 3.32Å; F196-V256 HydrophobicContact CE1-CB 4.05Å; F196-V256 HydrophobicContact CE1-CG1 3.84Å; F196-V256 HydrophobicContact CZ-CB 4.21Å; F196-V256 HydrophobicContact CZ-CG1 4.26Å; F196-L257 HydrophobicContact CE2-CD1 4.28Å; F196-L257 HydrophobicContact CE2-CD2 4.05Å; F196-L257 HydrophobicContact CE2-CG 4Å; F196-L257 HydrophobicContact CZ-CD2 4Å; F196-L257 HydrophobicContact CZ-CG 3.89Å
197H88.1Confident72.5Confident70 Ų7050.9 Ų50.932%0.32433%0.333SS..EExtended strand (participates in β ladder)trans-124.1123.6172.1-64.1-78.6000108.5I195 I227I195-H197 WeakPolarHBondContact CG2-NE2 3.11Å; H197-I227 PolarHBondContact N-O 2.79Å; H197-I227 PolarHBondContact O-N 3.43Å
198S76.4Confident69.6Low65 Ų6553.1 Ų53.146%0.45534%0.337SS..EExtended strand (participates in β ladder)trans-84.5114.8166.148.40000108.8K200S198-K200 PolarHBondContact O-N 3.4Å
199S59.5Low66.8Low59 Ų5956.4 Ų56.441%0.41335%0.349SS..EExtended strand (participates in β ladder)trans-74.5113.4165.7-167.10000107.3G201 S225S199-G201 PolarHBondContact O-N 2.91Å; S199-G201 VanDerWaalsContact O-N 3.14Å; S199-S225 VanDerWaalsContact CB-OG 3.28Å; S199-S225 WeakPolarHBondContact CB-OG 3Å; S199-S225 PolarHBondContact N-O 2.82Å; S199-S225 VanDerWaalsContact N-O 3.16Å
200K52.6Low64.3Low137 Ų13761.4 Ų61.460%0.59637%0.372SS*.  trans-77.598.2177.1-67.5-173.2179.9179.80109S198S198-K200 PolarHBondContact O-N 3.4Å
201G40.5Very low61.3Low64 Ų6464.7 Ų64.766%0.6636%0.363SS*.SBendtrans-66.9-31.9142.200000110.9S199 E222S199-G201 PolarHBondContact O-N 2.91Å; S199-G201 VanDerWaalsContact O-N 3.14Å; G201-E222 VanDerWaalsContact C-OE2 3.29Å
202G37.2Very low58.4Low18 Ų1869 Ų6919%0.18639%0.394CS..SBendtrans-152.5170.6-178.100000115G204G202-G204 PolarHBondContact O-N 2.97Å
203P37.9Very low55.6Low102 Ų10274.5 Ų74.566%0.66242%0.415SS*.  trans-61123.3175.718.4-23.8000111D207P203-D207 WeakPolarHBondContact CA-OD2 3.48Å; P203-D207 HydrophobicContact CB-CB 4.07Å; P203-D207 WeakPolarHBondContact CB-OD2 3.45Å
204G35.8Very low52.9Low21 Ų2177 Ų7722%0.21643%0.427CS..  trans-64.1163.1-174.400000113.4G202 G206 D207G202-G204 PolarHBondContact O-N 2.97Å; G204-G206 PolarHBondContact O-N 3.38Å; G204-D207 PolarHBondContact N-OD2 3.13Å; G204-D207 WeakPolarHBondContact O-CB 3.33Å; G204-D207 PolarHBondContact O-N 3.33Å
205I41.2Very low50.1Low71 Ų7182.6 Ų82.636%0.36447%0.466SS..G310 helixtrans-55.6-24.1-170.4-67.6162.6000113.8D207 F208I205-D207 PolarHBondContact O-N 3.02Å; I205-F208 HydrophobicContact CG2-CB 4.46Å; I205-F208 WeakPolarHBondContact O-CB 3.33Å; I205-F208 PolarHBondContact O-N 3.34Å
206G41.1Very low47.4Very low34 Ų3486.6 Ų86.635%0.35149%0.488SS..G310 helixtrans-56.6-8.1165.900000115.2G204G204-G206 PolarHBondContact O-N 3.38Å
207D44.4Very low44.5Very low32 Ų3294.5 Ų94.517%0.17153%0.53CS..G310 helixtrans-90.6-5.8171.4-67.1-54000113.6R106 P203 G204 I205 Y209 H210R106-D207 IonicContact CZ-OD1 3.33Å; R106-D207 IonicContact NE-OD1 3.56Å; R106-D207 VanDerWaalsContact NH2-CG 3.34Å; R106-D207 IonicContact NH2-OD1 3.31Å; R106-D207 PolarHBondContact NH2-OD1 3.13Å; P203-D207 WeakPolarHBondContact CA-OD2 3.48Å; P203-D207 HydrophobicContact CB-CB 4.07Å; P203-D207 WeakPolarHBondContact CB-OD2 3.45Å; G204-D207 PolarHBondContact N-OD2 3.13Å; G204-D207 WeakPolarHBondContact O-CB 3.33Å; G204-D207 PolarHBondContact O-N 3.33Å; I205-D207 PolarHBondContact O-N 3.02Å; D207-Y209 PolarHBondContact O-N 3.29Å; D207-H210 PolarHBondContact O-N 3.39Å; D207-H210 VanDerWaalsContact O-N 3.08Å
208F37.4Very low42Very low161 Ų16194 Ų9471%0.70653%0.534SS*.G310 helixtrans-63.1-38-176.3-159.6-95.9000112.5I205 H210 R211I205-F208 HydrophobicContact CG2-CB 4.46Å; I205-F208 WeakPolarHBondContact O-CB 3.33Å; I205-F208 PolarHBondContact O-N 3.34Å; F208-H210 PolarHBondContact O-N 3.03Å; F208-R211 PolarHBondContact O-N 3.44Å
209Y36.5Very low40.1Very low124 Ų12495.4 Ų95.449%0.48655%0.55SS.*G310 helixtrans-65.8-9.1175.1-83.9-75.1000114.8D207 E246 Q276D207-Y209 PolarHBondContact O-N 3.29Å; Y209-E246 VanDerWaalsContact CE2-OE1 3.24Å; Y209-E246 WeakPolarHBondContact CE2-OE1 3.22Å; Y209-Q276 PolarHBondContact OH-NE2 3.23Å
210H42Very low38.9Very low115 Ų11598.8 Ų98.853%0.53256%0.563SS.*G310 helixtrans-118.912.6-178.4-77.1-47.8000115D207 F208D207-H210 PolarHBondContact O-N 3.39Å; D207-H210 VanDerWaalsContact O-N 3.08Å; F208-H210 PolarHBondContact O-N 3.03Å
211R34Very low38Very low137 Ų13798.8 Ų98.852%0.51758%0.575SS.*  trans-89.4-6.6169.2-130.6178.5169.7174.5-6.8113.7F208 N213 D214 S218F208-R211 PolarHBondContact O-N 3.44Å; R211-N213 PolarHBondContact O-N 2.92Å; R211-D214 PolarHBondContact O-N 2.6Å; R211-S218 PolarHBondContact NH2-OG 3.19Å
212C37.5Very low38.1Very low111 Ų111101.2 Ų101.275%0.7557%0.569SS**THydrogen-bonded Turntrans-62.8-6.8178-58.70000114.8
213N37.9Very low38.3Very low150 Ų150106.7 Ų106.780%0.80260%0.599SS**THydrogen-bonded Turntrans-117.9-4.5179.1-71.1-4.5000115R211R211-N213 PolarHBondContact O-N 2.92Å
214D41.4Very low39.1Very low105 Ų105104.4 Ų104.456%0.56158%0.582SS**  trans-102.9102.5175.9-69.1-26.8000107.6R211 D216R211-D214 PolarHBondContact O-N 2.6Å; D214-D216 PolarHBondContact O-N 3.21Å
215S38.6Very low40.8Very low118 Ų118106.3 Ų106.383%0.82559%0.593SS**  trans-6834.8-179.855.10000114.1
216D39.6Very low42.9Very low123 Ų123105 Ų10566%0.65859%0.586SS**  trans-108.591.1177.8-73.2-16.5000109.2D214 S218D214-D216 PolarHBondContact O-N 3.21Å; D216-S218 VanDerWaalsContact C-N 3.32Å; D216-S218 PolarHBondContact O-N 2.88Å
217D34.5Very low45.2Very low168 Ų168107.2 Ų107.290%0.89859%0.589SS**  trans-61.484172.9-154.910.8000109.9
218S36.2Very low47.5Very low59 Ų59106.2 Ų106.241%0.41358%0.584SS.*  trans-14086.4167.576.80000109.5R211 D216 L220R211-S218 PolarHBondContact NH2-OG 3.19Å; D216-S218 VanDerWaalsContact C-N 3.32Å; D216-S218 PolarHBondContact O-N 2.88Å; S218-L220 PolarHBondContact O-N 2.77Å
219A36.1Very low50.2Low95 Ų95101.4 Ų101.479%0.78557%0.57SS**  trans-64.275.2166.400000110.5
220L34.3Very low53Low130 Ų13097.6 Ų97.668%0.68157%0.569SS**  trans-10395.7160.9-66.3173.9000106.1S218 E222S218-L220 PolarHBondContact O-N 2.77Å; L220-E222 PolarHBondContact O-N 3.11Å
221T35Very low55.5Low137 Ų13797.3 Ų97.384%0.8457%0.571SS**  trans-6471.4161.245.10000108T223T221-T223 PolarHBondContact O-N 2.93Å; T221-T223 VanDerWaalsContact O-N 3.13Å
222E40.7Very low58.5Low115 Ų11590.9 Ų90.954%0.53755%0.547SS..  trans-63.1115.1170.8-86.7-175.6159.800107.6G201 L220 V224G201-E222 VanDerWaalsContact C-OE2 3.29Å; L220-E222 PolarHBondContact O-N 3.11Å; E222-V224 PolarHBondContact O-N 2.87Å
223T43Very low61.3Low133 Ų13387.1 Ų87.182%0.81653%0.527SS*.  trans-63.3103.7176.350.90000108.1T221 S225T221-T223 PolarHBondContact O-N 2.93Å; T221-T223 VanDerWaalsContact O-N 3.13Å; T223-S225 PolarHBondContact O-N 2.53Å
224V54.8Low64.1Low53 Ų5382.1 Ų82.132%0.32151%0.511SS..  trans-56.6110.3169178.70000107.1E222 L226E222-V224 PolarHBondContact O-N 2.87Å; V224-L226 HydrophobicContact CG1-CD2 4.26Å; V224-L226 PolarHBondContact O-N 2.91Å
225S71.1Confident66.7Low62 Ų6281.5 Ų81.543%0.43450%0.501SS..EExtended strand (participates in β ladder)trans-75.6101.7174.9650000107.9S199 T223 I227S199-S225 VanDerWaalsContact CB-OG 3.28Å; S199-S225 WeakPolarHBondContact CB-OG 3Å; S199-S225 PolarHBondContact N-O 2.82Å; S199-S225 VanDerWaalsContact N-O 3.16Å; T223-S225 PolarHBondContact O-N 2.53Å; S225-I227 PolarHBondContact O-N 3.39Å
226L84.5Confident69.6Low42 Ų4276 Ų7622%0.2246%0.462CS..EExtended strand (participates in β ladder)trans-75.5118172-67.9170.7000109.1V224 Q252 E253V224-L226 HydrophobicContact CG1-CD2 4.26Å; V224-L226 PolarHBondContact O-N 2.91Å; L226-Q252 HydrophobicContact CD1-CB 3.85Å; L226-E253 HydrophobicContact CD1-CG 4.31Å
227I89.4Confident72.4Confident81 Ų8170.1 Ų70.142%0.41543%0.431SS..EExtended strand (participates in β ladder)trans-107.7126.2178.8-58.9173.5000108F196 H197 S225F196-I227 WeakPolarHBondContact CA-O 3.26Å; H197-I227 PolarHBondContact N-O 2.79Å; H197-I227 PolarHBondContact O-N 3.43Å; S225-I227 PolarHBondContact O-N 3.39Å
228L93.8Very high75.5Confident12 Ų1262.2 Ų62.26%0.06339%0.388CS..EExtended strand (participates in β ladder)trans-98.4121.2171.3-179.567000109.3V172 A194 F196 V232 V256 L257 R260V172-L228 HydrophobicContact CG1-CD1 3.88Å; A194-L228 HydrophobicContact CB-CD1 4.07Å; F196-L228 HydrophobicContact CD1-CB 4.14Å; F196-L228 HydrophobicContact CD1-CD1 4.08Å; F196-L228 HydrophobicContact CD2-CD1 4.11Å; F196-L228 HydrophobicContact CE1-CB 3.83Å; F196-L228 HydrophobicContact CE1-CD1 3.95Å; F196-L228 HydrophobicContact CE1-CG 4.38Å; F196-L228 HydrophobicContact CE2-CD1 3.97Å; F196-L228 HydrophobicContact CG-CD1 4.17Å; F196-L228 HydrophobicContact CZ-CB 4.42Å; F196-L228 HydrophobicContact CZ-CD1 3.88Å; L228-V232 HydrophobicContact CD2-CG1 4.13Å; L228-V232 HydrophobicContact CD2-CG2 3.8Å; L228-V256 HydrophobicContact CB-CG1 4.44Å; L228-L257 HydrophobicContact CD1-CD2 4.31Å; L228-L257 HydrophobicContact CD2-CD2 3.78Å; L228-R260 HydrophobicContact CD2-CB 4.31Å; L228-R260 HydrophobicContact CD2-CG 4.01Å
229S94.3Very high78.4Confident59 Ų5959.4 Ų59.441%0.41337%0.369SS..EExtended strand (participates in β ladder)trans-102.1107.7172.8-67.60000109.6A194 I195A194-S229 CarbonylContact C-O 3.56Å; A194-S229 VanDerWaalsContact CA-O 3.28Å; A194-S229 WeakPolarHBondContact CA-O 3.16Å; A194-S229 WeakPolarHBondContact CB-O 3.48Å; I195-S229 PolarHBondContact N-O 2.77Å; I195-S229 PolarHBondContact O-N 3.47Å
230G93.7Very high81.4Confident45 Ų4554.9 Ų54.946%0.46433%0.331SS..SBendtrans133.4157.9-176.700000111.7
231D94.6Very high84.2Confident109 Ų10950 Ų5058%0.58331%0.306SS*.  trans-96.2129.8177.7-178.325.9000111G233D231-G233 PolarHBondContact OD1-N 3.11Å
232V96.7Very high87Confident2 Ų244.1 Ų44.11%0.01227%0.269CS..  trans-125.95.6178.5-60.30000112.1V170 V172 A194 L228 G234 R235 L257 R260 A262V170-V232 HydrophobicContact CB-CG1 4.33Å; V170-V232 HydrophobicContact CG1-CG1 4.26Å; V172-V232 HydrophobicContact CG2-CG1 4.34Å; A194-V232 HydrophobicContact CB-CG1 4.33Å; L228-V232 HydrophobicContact CD2-CG1 4.13Å; L228-V232 HydrophobicContact CD2-CG2 3.8Å; V232-G234 PolarHBondContact O-N 3.29Å; V232-R235 PolarHBondContact O-N 2.66Å; V232-R235 VanDerWaalsContact O-N 3.15Å; V232-L257 HydrophobicContact CB-CD2 4.43Å; V232-L257 HydrophobicContact CG1-CD2 4.03Å; V232-L257 HydrophobicContact CG2-CD2 4.06Å; V232-R260 HydrophobicContact CG2-CB 3.53Å; V232-A262 HydrophobicContact CB-CB 4.38Å; V232-A262 HydrophobicContact CG2-CB 4.27Å; V232-A262 WeakPolarHBondContact O-CA 3.21Å
233G96.3Very high89.6Confident32 Ų3238.8 Ų38.833%0.3325%0.245SC..THydrogen-bonded Turntrans-62.9124.5-176.600000112.3D231 R235 R260D231-G233 PolarHBondContact OD1-N 3.11Å; G233-R235 PolarHBondContact O-N 2.7Å; G233-R260 WeakPolarHBondContact CA-O 3.48Å
234G96.7Very high92Very high45 Ų4532.5 Ų32.546%0.46421%0.206SC..THydrogen-bonded Turntrans70.313.5-178.800000114.5N168 V232 G261 Y263N168-G234 PolarHBondContact ND2-O 2.86Å; V232-G234 PolarHBondContact O-N 3.29Å; G234-G261 PolarHBondContact N-O 2.95Å; G234-Y263 WeakPolarHBondContact O-CD1 3.33Å; G234-Y263 WeakPolarHBondContact O-CE1 3.4Å
235R98Very high93.8Very high92 Ų9230.9 Ų30.935%0.34720%0.196SC..SBendtrans-116.3168.1-176.8-61.5-171.3-169.7-170.34.8112.3N168 V170 V232 G233 A262 Y263N168-R235 WeakPolarHBondContact O-CA 3.28Å; N168-R235 VanDerWaalsContact O-CB 3.23Å; N168-R235 WeakPolarHBondContact O-CB 3.28Å; V170-R235 HydrophobicContact CG2-CB 4.31Å; V170-R235 VanDerWaalsContact CG2-CD 3.4Å; V170-R235 HydrophobicContact CG2-CG 4.49Å; V232-R235 PolarHBondContact O-N 2.66Å; V232-R235 VanDerWaalsContact O-N 3.15Å; G233-R235 PolarHBondContact O-N 2.7Å; R235-A262 VanDerWaalsContact O-CA 3.32Å; R235-A262 WeakPolarHBondContact O-CA 3.48Å; R235-Y263 WeakPolarHBondContact O-CD1 3.3Å; R235-Y263 PolarHBondContact O-N 3.27Å; R235-Y263 VanDerWaalsContact O-N 3.1Å
236I98.5Very high94.5Very high2 Ų229.9 Ų29.91%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-82.4121.8167.4-53.3175.2000107.8V163 N168 A169 V170 I238 Y263 K264 I266V163-I236 HydrophobicContact CG1-CD1 3.73Å; N168-I236 PolarHBondContact O-N 3.48Å; N168-I236 VanDerWaalsContact O-N 3.1Å; A169-I236 CarbonylContact C-O 3.51Å; A169-I236 WeakPolarHBondContact CA-O 3.45Å; A169-I236 HydrophobicContact CB-CB 3.83Å; A169-I236 HydrophobicContact CB-CG2 4.38Å; V170-I236 PolarHBondContact N-O 3.15Å; I236-I238 HydrophobicContact CG2-CG1 4.04Å; I236-Y263 WeakPolarHBondContact CD1-OH 3.38Å; I236-Y263 HydrophobicContact CG1-CE1 3.84Å; I236-Y263 HydrophobicContact CG1-CE2 4.21Å; I236-Y263 VanDerWaalsContact CG1-CZ 3.5Å; I236-Y263 WeakPolarHBondContact CG1-OH 3.42Å; I236-K264 CarbonylContact C-O 3.53Å; I236-K264 WeakPolarHBondContact CA-O 3.32Å; I236-K264 HydrophobicContact CG1-CB 4.31Å; I236-K264 HydrophobicContact CG2-CB 4.21Å; I236-K264 HydrophobicContact CG2-CG 4.45Å; I236-I266 HydrophobicContact CG2-CD1 4Å; I236-I266 HydrophobicContact CG2-CG1 4.19Å
237G98.4Very high94.9Very high0 Ų027.9 Ų27.90%017%0.174CC..EExtended strand (participates in β ladder)trans-88.2112.9171.500000110.2K264 V265 I266G237-K264 PolarHBondContact N-O 3.1Å; G237-V265 WeakPolarHBondContact O-CA 3.39Å; G237-I266 PolarHBondContact O-N 3.21Å
238I98.6Very high95Very high1 Ų127.8 Ų27.81%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-101.696.9176.2-56.2178.1000108.5I159 A169 V170 M171 V172 I236 I266 V268I159-I238 HydrophobicContact CG2-CD1 4.21Å; A169-I238 HydrophobicContact CB-CD1 3.61Å; A169-I238 HydrophobicContact CB-CG1 4.02Å; V170-I238 PolarHBondContact O-N 3.38Å; M171-I238 HydrophobicContact CE-CG2 4.28Å; M171-I238 HydrophobicContact SD-CB 3.83Å; M171-I238 HydrophobicContact SD-CG2 3.59Å; M171-I238 VanDerWaalsContact SD-CG2 3.59Å; V172-I238 PolarHBondContact N-O 3Å; I236-I238 HydrophobicContact CG2-CG1 4.04Å; I238-I266 CarbonylContact C-O 3.48Å; I238-I266 VanDerWaalsContact CA-O 3.29Å; I238-I266 WeakPolarHBondContact CA-O 3.28Å; I238-I266 HydrophobicContact CG1-CB 4.43Å; I238-V268 HydrophobicContact CG2-CB 4.39Å; I238-V268 HydrophobicContact CG2-CG2 3.51Å
239L98.3Very high94.8Very high0 Ų030.2 Ų30.20%018%0.182CC..EExtended strand (participates in β ladder)trans-77.4125.2-179.5-176.164.8000110.8V172 K174 F196 F250 E253 I266 V267 V268V172-L239 HydrophobicContact CB-CD1 4.22Å; V172-L239 HydrophobicContact CG1-CD1 4.05Å; V172-L239 CarbonylContact O-C 3.57Å; V172-L239 WeakPolarHBondContact O-CA 3.49Å; K174-L239 HydrophobicContact CB-CD1 3.86Å; K174-L239 HydrophobicContact CB-CG 4.4Å; F196-L239 HydrophobicContact CD2-CD1 3.89Å; F196-L239 HydrophobicContact CE2-CD1 3.99Å; L239-F250 HydrophobicContact CD2-CB 4.48Å; L239-F250 HydrophobicContact CD2-CD1 3.8Å; L239-F250 HydrophobicContact CG-CD1 4.5Å; L239-E253 HydrophobicContact CD2-CB 4.03Å; L239-E253 WeakPolarHBondContact CD2-OE2 3.38Å; L239-I266 PolarHBondContact N-O 3.32Å; L239-V267 HydrophobicContact CB-CG2 4.29Å; L239-V267 HydrophobicContact CD2-CG2 4.23Å; L239-V267 CarbonylContact O-C 3.56Å; L239-V267 WeakPolarHBondContact O-CA 3.17Å; L239-V268 PolarHBondContact O-N 3.06Å
240V97.8Very high94.8Very high1 Ų127.6 Ų27.61%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-115.4134-176.3-178.10000111.8M171 V172 K174 V178 K181 A182 L185 V268M171-V240 HydrophobicContact CG-CG2 3.76Å; M171-V240 HydrophobicContact SD-CG2 3.14Å; M171-V240 WeakPolarHBondContact SD-CG2 3.33Å; V172-V240 PolarHBondContact O-N 3.34Å; K174-V240 WeakPolarHBondContact CB-O 3.38Å; K174-V240 PolarHBondContact N-O 3.1Å; K174-V240 VanDerWaalsContact N-O 3.12Å; V178-V240 WeakPolarHBondContact CG2-O 3.28Å; K181-V240 HydrophobicContact CD-CG1 3.99Å; K181-V240 HydrophobicContact CG-CG1 4.11Å; A182-V240 HydrophobicContact CB-CB 4.43Å; L185-V240 HydrophobicContact CD1-CG1 3.92Å; L185-V240 HydrophobicContact CD1-CG2 4.11Å; V240-V268 VanDerWaalsContact CA-O 3.32Å; V240-V268 WeakPolarHBondContact CA-O 3.34Å; V240-V268 HydrophobicContact CG2-CB 4.41Å
241D94.9Very high95Very high26 Ų2627.1 Ų27.114%0.13915%0.15CC..EExtended strand (participates in β ladder)trans-143.2173.7165.7-154.2-18.2000110.9K174 V178 F250 V268 A269K174-D241 HydrophobicContact CB-CB 4.2Å; K174-D241 HydrophobicContact CD-CB 4.18Å; K174-D241 VanDerWaalsContact CD-OD2 3.25Å; K174-D241 WeakPolarHBondContact CD-OD2 3.38Å; V178-D241 WeakPolarHBondContact CG1-OD1 3.16Å; D241-F250 HydrophobicContact CB-CE1 3.79Å; D241-F250 HydrophobicContact CB-CZ 3.78Å; D241-V268 PolarHBondContact N-O 3Å; D241-V268 VanDerWaalsContact N-O 3.13Å; D241-A269 WeakPolarHBondContact O-CA 3.36Å
242D93.7Very high94.9Very high15 Ų1525.8 Ų25.88%0.0814%0.14CC..EExtended strand (participates in β ladder)trans-79.9-43.1175.3-60.3-42000111.7C134 K181 T270 H271C134-D242 VanDerWaalsContact CA-OD2 3.29Å; C134-D242 WeakPolarHBondContact CA-OD2 3.46Å; C134-D242 HydrophobicContact CB-CB 4.14Å; K181-D242 WeakPolarHBondContact CE-OD1 3.49Å; K181-D242 IonicContact NZ-OD1 2.77Å; K181-D242 PolarHBondContact NZ-OD1 3.18Å; D242-T270 WeakPolarHBondContact O-CB 3.5Å; D242-T270 PolarHBondContact O-N 3.29Å; D242-H271 PolarHBondContact O-CD2 3.31Å; D242-H271 VanDerWaalsContact O-CD2 3.3Å; D242-H271 PolarHBondContact O-N 3.35Å
243V94.1Very high94.9Very high3 Ų326 Ų262%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-134.8134.1-172.9-176.70000109.8Y96 R101 C134 D245 H271 I273Y96-V243 HydrophobicContact CE2-CG2 3.9Å; R101-V243 HydrophobicContact CG-CG2 4.48Å; C134-V243 WeakPolarHBondContact SG-CG2 3.39Å; V243-D245 HydrophobicContact CG1-CB 4.42Å; V243-H271 CarbonylContact C-O 3.49Å; V243-H271 VanDerWaalsContact CA-O 3.31Å; V243-H271 WeakPolarHBondContact CA-O 3.41Å; V243-H271 HydrophobicContact CB-CB 4.48Å; V243-H271 HydrophobicContact CG1-CB 4.37Å; V243-H271 HydrophobicContact CG2-CB 4.08Å; V243-I273 HydrophobicContact CG1-CD1 3.57Å; V243-I273 HydrophobicContact CG1-CG1 3.99Å
244M94Very high94.9Very high0 Ų024.4 Ų24.40%013%0.125CC..EExtended strand (participates in β ladder)trans-117118.8172.7-164.8171.7-171.400109.3V247 F250 V267 A269 H271 I273 F274 L282 I290M244-V247 HydrophobicContact CE-CG1 3.99Å; M244-V247 HydrophobicContact CG-CG1 4.25Å; M244-F250 HydrophobicContact CB-CE2 4.46Å; M244-F250 HydrophobicContact CB-CZ 4.18Å; M244-F250 HydrophobicContact CE-CB 4.04Å; M244-F250 HydrophobicContact CE-CD1 4.07Å; M244-F250 HydrophobicContact CE-CD2 4.33Å; M244-F250 HydrophobicContact CE-CG 3.9Å; M244-F250 HydrophobicContact CG-CD2 4.25Å; M244-F250 HydrophobicContact CG-CE1 4.28Å; M244-F250 HydrophobicContact CG-CE2 3.96Å; M244-F250 HydrophobicContact CG-CZ 3.98Å; M244-V267 HydrophobicContact CE-CB 4.36Å; M244-V267 HydrophobicContact CE-CG1 3.92Å; M244-V267 HydrophobicContact CE-CG2 4.48Å; M244-V267 HydrophobicContact SD-CB 4.39Å; M244-V267 HydrophobicContact SD-CG1 3.66Å; M244-A269 HydrophobicContact CB-CB 3.7Å; M244-H271 PolarHBondContact N-O 2.84Å; M244-I273 PolarHBondContact O-N 3Å; M244-F274 HydrophobicContact CB-CE1 4.15Å; M244-F274 HydrophobicContact CE-CE1 4.49Å; M244-F274 HydrophobicContact CG-CD1 4.41Å; M244-F274 HydrophobicContact CG-CE1 3.77Å; M244-F274 PolarHBondContact O-N 2.73Å; M244-F274 HydrophobicContact SD-CE1 3.74Å; M244-F274 HydrophobicContact SD-CZ 4.33Å; M244-L282 HydrophobicContact CE-CD1 4.13Å; M244-L282 HydrophobicContact CE-CD2 3.54Å; M244-L282 HydrophobicContact CE-CG 4.45Å; M244-I290 HydrophobicContact CE-CD1 4.36Å; M244-I290 HydrophobicContact CE-CG2 4.43Å; M244-I290 HydrophobicContact SD-CG2 3.74Å
245D91.7Very high95Very high20 Ų2024.6 Ų24.611%0.10712%0.117CC..SBendtrans-145.5-74.3-173.9-177.723.5000110.5R101 V243 I273 T275 A278R101-D245 IonicContact NH1-OD2 3.94Å; R101-D245 PolarHBondContact NH1-OD2 3.38Å; V243-D245 HydrophobicContact CG1-CB 4.42Å; D245-I273 HydrophobicContact CB-CB 4.03Å; D245-I273 HydrophobicContact CB-CD1 4.29Å; D245-I273 HydrophobicContact CB-CG1 4.48Å; D245-T275 VanDerWaalsContact OD1-CB 3.27Å; D245-T275 WeakPolarHBondContact OD1-CB 3.46Å; D245-T275 WeakPolarHBondContact OD1-CG2 3.46Å; D245-T275 PolarHBondContact OD1-N 2.95Å; D245-T275 PolarHBondContact OD1-OG1 3.38Å; D245-A278 WeakPolarHBondContact O-CB 3.38Å
246E86.6Confident94.9Very high41 Ų4121.7 Ų21.719%0.19211%0.11CC..  trans-74.4130.1160.9-67.7169.4-155.900108.4Y209 F250Y209-E246 VanDerWaalsContact CE2-OE1 3.24Å; Y209-E246 WeakPolarHBondContact CE2-OE1 3.22Å; E246-F250 WeakPolarHBondContact O-CD2 3.33Å; E246-F250 WeakPolarHBondContact O-CE2 3.33Å
247V92.4Very high94.9Very high0 Ų021.6 Ų21.60%011%0.109CC..  trans-115-9.9-165.3-64.90000113.6M244 E249 F250 I251 A278 L281 L282M244-V247 HydrophobicContact CE-CG1 3.99Å; M244-V247 HydrophobicContact CG-CG1 4.25Å; V247-E249 VanDerWaalsContact C-N 3.31Å; V247-E249 PolarHBondContact O-N 3.45Å; V247-F250 WeakPolarHBondContact O-CB 3.08Å; V247-F250 PolarHBondContact O-N 3.13Å; V247-I251 HydrophobicContact CB-CD1 4.47Å; V247-I251 HydrophobicContact CG2-CD1 4.08Å; V247-I251 WeakPolarHBondContact O-CG1 3.27Å; V247-I251 PolarHBondContact O-N 3.38Å; V247-A278 HydrophobicContact CB-CB 4.45Å; V247-A278 HydrophobicContact CG1-CB 3.74Å; V247-A278 HydrophobicContact CG2-CB 3.85Å; V247-L281 HydrophobicContact CG2-CB 3.91Å; V247-L281 HydrophobicContact CG2-CD1 4.05Å; V247-L282 HydrophobicContact CB-CD2 3.88Å; V247-L282 HydrophobicContact CB-CG 4.1Å; V247-L282 HydrophobicContact CG1-CD1 3.8Å; V247-L282 HydrophobicContact CG1-CD2 3.95Å; V247-L282 HydrophobicContact CG1-CG 3.91Å; V247-L282 HydrophobicContact CG2-CD2 4.39Å; V247-L282 HydrophobicContact CG2-CG 4.21Å
248E91.5Very high94.8Very high79 Ų7925.6 Ų25.637%0.36912%0.124SC..Hα-helixtrans-58.2-44.2-176.9-68.578-178.400111.3I251 Q252 L281E248-I251 PolarHBondContact O-N 3.44Å; E248-Q252 VanDerWaalsContact O-CG 3.3Å; E248-Q252 WeakPolarHBondContact O-CG 3.5Å; E248-Q252 PolarHBondContact O-N 3.43Å; E248-L281 WeakPolarHBondContact OE1-CD1 3.31Å
249E90.5Very high94.7Very high62 Ų6234 Ų3429%0.2916%0.161SC..Hα-helixtrans-63.5-41.8175.9-65.6-171.9175.600111.6K174 V247 I251 Q252 E253K174-E249 IonicContact NZ-OE2 2.92Å; K174-E249 PolarHBondContact NZ-OE2 2.79Å; V247-E249 VanDerWaalsContact C-N 3.31Å; V247-E249 PolarHBondContact O-N 3.45Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.18Å; E249-Q252 PolarHBondContact O-N 3.37Å; E249-E253 WeakPolarHBondContact O-CB 3.32Å; E249-E253 VanDerWaalsContact O-CG 3.25Å; E249-E253 WeakPolarHBondContact O-CG 3.33Å; E249-E253 PolarHBondContact O-N 3.27Å
250F94.8Very high94.6Very high4 Ų441 Ų412%0.01819%0.187CC..Hα-helixtrans-62.3-40.2176.7-69.1-94.8000111.5K174 L239 D241 M244 E246 V247 E253 A254 V267 I287K174-F250 HydrophobicContact CD-CD1 3.75Å; K174-F250 HydrophobicContact CD-CD2 4.31Å; K174-F250 HydrophobicContact CD-CE1 3.42Å; K174-F250 VanDerWaalsContact CD-CE1 3.42Å; K174-F250 HydrophobicContact CD-CE2 4.02Å; K174-F250 HydrophobicContact CD-CG 4.19Å; K174-F250 HydrophobicContact CD-CZ 3.57Å; L239-F250 HydrophobicContact CD2-CB 4.48Å; L239-F250 HydrophobicContact CD2-CD1 3.8Å; L239-F250 HydrophobicContact CG-CD1 4.5Å; D241-F250 HydrophobicContact CB-CE1 3.79Å; D241-F250 HydrophobicContact CB-CZ 3.78Å; M244-F250 HydrophobicContact CB-CE2 4.46Å; M244-F250 HydrophobicContact CB-CZ 4.18Å; M244-F250 HydrophobicContact CE-CB 4.04Å; M244-F250 HydrophobicContact CE-CD1 4.07Å; M244-F250 HydrophobicContact CE-CD2 4.33Å; M244-F250 HydrophobicContact CE-CG 3.9Å; M244-F250 HydrophobicContact CG-CD2 4.25Å; M244-F250 HydrophobicContact CG-CE1 4.28Å; M244-F250 HydrophobicContact CG-CE2 3.96Å; M244-F250 HydrophobicContact CG-CZ 3.98Å; E246-F250 WeakPolarHBondContact O-CD2 3.33Å; E246-F250 WeakPolarHBondContact O-CE2 3.33Å; V247-F250 WeakPolarHBondContact O-CB 3.08Å; V247-F250 PolarHBondContact O-N 3.13Å; F250-E253 PolarHBondContact O-N 2.95Å; F250-A254 VanDerWaalsContact O-CB 3.27Å; F250-A254 WeakPolarHBondContact O-CB 3.24Å; F250-A254 PolarHBondContact O-N 3.18Å; F250-V267 HydrophobicContact CD1-CG1 3.68Å; F250-V267 HydrophobicContact CE1-CG1 3.9Å; F250-I287 HydrophobicContact CB-CD1 4.46Å
251I95.8Very high94.6Very high35 Ų3542.7 Ų42.718%0.17921%0.205CC..Hα-helixtrans-66.8-43.2177.9-65.5168.4000110.3V247 E248 E249 A254 V255 L281 L282 I287V247-I251 HydrophobicContact CB-CD1 4.47Å; V247-I251 HydrophobicContact CG2-CD1 4.08Å; V247-I251 WeakPolarHBondContact O-CG1 3.27Å; V247-I251 PolarHBondContact O-N 3.38Å; E248-I251 PolarHBondContact O-N 3.44Å; E249-I251 VanDerWaalsContact C-N 3.32Å; E249-I251 PolarHBondContact O-N 3.18Å; I251-A254 PolarHBondContact O-N 3.32Å; I251-V255 WeakPolarHBondContact O-CG2 3.42Å; I251-V255 PolarHBondContact O-N 3.47Å; I251-L281 HydrophobicContact CD1-CB 3.88Å; I251-L282 HydrophobicContact CG1-CD2 4.45Å; I251-I287 HydrophobicContact CG1-CD1 4.16Å
252Q94.4Very high94.7Very high82 Ų8241.6 Ų41.638%0.38320%0.199SC..Hα-helixtrans-61.5-45.9176.4-71.3173.315.300111.7L226 E248 E249 A254 V255 V256L226-Q252 HydrophobicContact CD1-CB 3.85Å; E248-Q252 VanDerWaalsContact O-CG 3.3Å; E248-Q252 WeakPolarHBondContact O-CG 3.5Å; E248-Q252 PolarHBondContact O-N 3.43Å; E249-Q252 PolarHBondContact O-N 3.37Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.29Å; Q252-V255 PolarHBondContact O-N 3.14Å; Q252-V256 WeakPolarHBondContact O-CG2 3.16Å; Q252-V256 PolarHBondContact O-N 3.16Å
253E95.1Very high94.9Very high5 Ų545.9 Ų45.92%0.02322%0.215CC..Hα-helixtrans-61.1-42.8175.6-72.2161.7-170.600111.2K174 F196 L226 L239 E249 F250 V255 V256 L257K174-E253 WeakPolarHBondContact CD-OE2 3.13Å; K174-E253 WeakPolarHBondContact CE-OE1 3.21Å; K174-E253 WeakPolarHBondContact CE-OE2 3.22Å; K174-E253 WeakPolarHBondContact CG-OE1 3.34Å; K174-E253 WeakPolarHBondContact CG-OE2 3.47Å; K174-E253 IonicContact NZ-OE1 2.67Å; K174-E253 PolarHBondContact NZ-OE1 3.34Å; K174-E253 IonicContact NZ-OE2 2.67Å; F196-E253 HydrophobicContact CD1-CG 4.35Å; F196-E253 HydrophobicContact CD2-CB 4.2Å; F196-E253 HydrophobicContact CD2-CG 4.07Å; F196-E253 HydrophobicContact CE1-CB 4.42Å; F196-E253 HydrophobicContact CE1-CG 4.36Å; F196-E253 HydrophobicContact CE2-CB 3.73Å; F196-E253 HydrophobicContact CE2-CG 4.09Å; F196-E253 HydrophobicContact CG-CG 4.2Å; F196-E253 HydrophobicContact CZ-CB 3.86Å; F196-E253 HydrophobicContact CZ-CG 4.23Å; F196-E253 WeakPolarHBondContact CZ-O 3.32Å; L226-E253 HydrophobicContact CD1-CG 4.31Å; L239-E253 HydrophobicContact CD2-CB 4.03Å; L239-E253 WeakPolarHBondContact CD2-OE2 3.38Å; E249-E253 WeakPolarHBondContact O-CB 3.32Å; E249-E253 VanDerWaalsContact O-CG 3.25Å; E249-E253 WeakPolarHBondContact O-CG 3.33Å; E249-E253 PolarHBondContact O-N 3.27Å; F250-E253 PolarHBondContact O-N 2.95Å; E253-V255 PolarHBondContact O-N 3.27Å; E253-V256 WeakPolarHBondContact O-CB 3.29Å; E253-V256 PolarHBondContact O-N 2.87Å; E253-V256 VanDerWaalsContact O-N 3.13Å; E253-L257 WeakPolarHBondContact O-CG 3.24Å; E253-L257 PolarHBondContact O-N 2.85Å
254A97.6Very high95.1Very high0 Ų047.8 Ų47.80%022%0.223CC..Hα-helixtrans-61.2-41175.100000112.5F250 I251 Q252 V256 L257 R258 V265 V286 I287F250-A254 VanDerWaalsContact O-CB 3.27Å; F250-A254 WeakPolarHBondContact O-CB 3.24Å; F250-A254 PolarHBondContact O-N 3.18Å; I251-A254 PolarHBondContact O-N 3.32Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.29Å; A254-V256 VanDerWaalsContact C-N 3.32Å; A254-V256 PolarHBondContact O-N 2.77Å; A254-L257 PolarHBondContact O-N 2.81Å; A254-R258 WeakPolarHBondContact O-CG 3.47Å; A254-R258 PolarHBondContact O-N 2.68Å; A254-V265 HydrophobicContact CB-CG1 3.81Å; A254-V286 HydrophobicContact CB-CG2 3.78Å; A254-I287 HydrophobicContact CB-CD1 4.23Å; A254-I287 HydrophobicContact CB-CG1 3.52Å
255V97.1Very high95.3Very high48 Ų4847.8 Ų47.829%0.29122%0.223SC..Hα-helixtrans-61.6-40.5173.7170.20000111.1I251 Q252 E253 R258 K259 V286I251-V255 WeakPolarHBondContact O-CG2 3.42Å; I251-V255 PolarHBondContact O-N 3.47Å; Q252-V255 PolarHBondContact O-N 3.14Å; E253-V255 PolarHBondContact O-N 3.27Å; V255-R258 PolarHBondContact O-N 3.25Å; V255-K259 HydrophobicContact CG1-CD 4.22Å; V255-K259 WeakPolarHBondContact O-CG 3.12Å; V255-K259 PolarHBondContact O-N 3.21Å; V255-V286 HydrophobicContact CG2-CG1 4.36Å; V255-V286 HydrophobicContact CG2-CG2 3.75Å
256V96.4Very high95.6Very high32 Ų3246.8 Ų46.819%0.19422%0.218CC..Hα-helixtrans-64.9-42.3175.7176.10000111.1F196 L228 Q252 E253 A254 R258 K259 R260F196-V256 HydrophobicContact CE1-CB 4.05Å; F196-V256 HydrophobicContact CE1-CG1 3.84Å; F196-V256 HydrophobicContact CZ-CB 4.21Å; F196-V256 HydrophobicContact CZ-CG1 4.26Å; L228-V256 HydrophobicContact CB-CG1 4.44Å; Q252-V256 WeakPolarHBondContact O-CG2 3.16Å; Q252-V256 PolarHBondContact O-N 3.16Å; E253-V256 WeakPolarHBondContact O-CB 3.29Å; E253-V256 PolarHBondContact O-N 2.87Å; E253-V256 VanDerWaalsContact O-N 3.13Å; A254-V256 VanDerWaalsContact C-N 3.32Å; A254-V256 PolarHBondContact O-N 2.77Å; V256-R258 PolarHBondContact O-N 2.99Å; V256-K259 PolarHBondContact O-N 2.79Å; V256-R260 HydrophobicContact CG1-CG 4.3Å; V256-R260 WeakPolarHBondContact O-CB 3.46Å; V256-R260 VanDerWaalsContact O-CG 3.24Å; V256-R260 WeakPolarHBondContact O-CG 3.43Å; V256-R260 PolarHBondContact O-N 2.79Å
257L98Very high96.2Very high0 Ų044.9 Ų44.90%021%0.209CC..Hα-helixtrans-58.6-46.3175.1-69.9174.5000111.6V172 F196 L228 V232 E253 A254 K259 R260 G261 A262 V265V172-L257 HydrophobicContact CG1-CD2 4.31Å; V172-L257 HydrophobicContact CG2-CD1 4.47Å; V172-L257 HydrophobicContact CG2-CD2 4.01Å; F196-L257 HydrophobicContact CE2-CD1 4.28Å; F196-L257 HydrophobicContact CE2-CD2 4.05Å; F196-L257 HydrophobicContact CE2-CG 4Å; F196-L257 HydrophobicContact CZ-CD2 4Å; F196-L257 HydrophobicContact CZ-CG 3.89Å; L228-L257 HydrophobicContact CD1-CD2 4.31Å; L228-L257 HydrophobicContact CD2-CD2 3.78Å; V232-L257 HydrophobicContact CB-CD2 4.43Å; V232-L257 HydrophobicContact CG1-CD2 4.03Å; V232-L257 HydrophobicContact CG2-CD2 4.06Å; E253-L257 WeakPolarHBondContact O-CG 3.24Å; E253-L257 PolarHBondContact O-N 2.85Å; A254-L257 PolarHBondContact O-N 2.81Å; L257-K259 PolarHBondContact O-N 3.15Å; L257-R260 CarbonylContact O-C 3.58Å; L257-R260 PolarHBondContact O-N 3.19Å; L257-R260 VanDerWaalsContact O-N 3.15Å; L257-G261 PolarHBondContact O-N 3.12Å; L257-A262 HydrophobicContact CB-CB 4.08Å; L257-A262 VanDerWaalsContact O-CB 3.25Å; L257-A262 WeakPolarHBondContact O-CB 3.32Å; L257-A262 PolarHBondContact O-N 3.45Å; L257-V265 HydrophobicContact CB-CG2 3.92Å; L257-V265 HydrophobicContact CD1-CG1 3.9Å; L257-V265 HydrophobicContact CD1-CG2 4.33Å
258R97.6Very high96.5Very high83 Ų8345 Ų4531%0.31321%0.209SC..Hα-helixtrans-59.3-46.8175.7-71.5-58.4-164.8158.8-2.9112A254 V255 V256 R260 G261 A262 Y263 V265 V286 D288A254-R258 WeakPolarHBondContact O-CG 3.47Å; A254-R258 PolarHBondContact O-N 2.68Å; V255-R258 PolarHBondContact O-N 3.25Å; V256-R258 PolarHBondContact O-N 2.99Å; R258-R260 PolarHBondContact O-N 3.4Å; R258-G261 PolarHBondContact O-N 3.12Å; R258-A262 VanDerWaalsContact CD-O 3.24Å; R258-A262 WeakPolarHBondContact CD-O 3.39Å; R258-Y263 PolarHBondContact NH1-O 2.92Å; R258-Y263 PolarHBondContact NH2-O 3.13Å; R258-V265 HydrophobicContact CG-CG2 4.09Å; R258-V286 HydrophobicContact CG-CB 4.19Å; R258-V286 HydrophobicContact CG-CG2 4.14Å; R258-D288 IonicContact CZ-OD2 3.86Å; R258-D288 IonicContact NH2-OD1 3.71Å; R258-D288 PolarHBondContact NH2-OD1 3Å; R258-D288 IonicContact NH2-OD2 3.2Å; R258-D288 PolarHBondContact NH2-OD2 2.99Å
259K96.6Very high96.7Very high178 Ų17841.2 Ų41.277%0.77419%0.192SC*.Hα-helixtrans-62.6-28.3176.7-74.2178.4178.7179.70113.1V255 V256 L257 G261V255-K259 HydrophobicContact CG1-CD 4.22Å; V255-K259 WeakPolarHBondContact O-CG 3.12Å; V255-K259 PolarHBondContact O-N 3.21Å; V256-K259 PolarHBondContact O-N 2.79Å; L257-K259 PolarHBondContact O-N 3.15Å; K259-G261 PolarHBondContact O-N 3.32Å
260R96.4Very high97Very high148 Ų14838.3 Ų38.356%0.55818%0.178SC*.THydrogen-bonded Turntrans-82.94.5174.8-68.3-77.1-173.31721.8113.3L228 V232 G233 V256 L257 R258L228-R260 HydrophobicContact CD2-CB 4.31Å; L228-R260 HydrophobicContact CD2-CG 4.01Å; V232-R260 HydrophobicContact CG2-CB 3.53Å; G233-R260 WeakPolarHBondContact CA-O 3.48Å; V256-R260 HydrophobicContact CG1-CG 4.3Å; V256-R260 WeakPolarHBondContact O-CB 3.46Å; V256-R260 VanDerWaalsContact O-CG 3.24Å; V256-R260 WeakPolarHBondContact O-CG 3.43Å; V256-R260 PolarHBondContact O-N 2.79Å; L257-R260 CarbonylContact O-C 3.58Å; L257-R260 PolarHBondContact O-N 3.19Å; L257-R260 VanDerWaalsContact O-N 3.15Å; R258-R260 PolarHBondContact O-N 3.4Å
261G96.7Very high97.1Very high36 Ų3638.2 Ų38.237%0.37118%0.178SC..THydrogen-bonded Turntrans9210.1174.200000114.8G234 L257 R258 K259 Y263G234-G261 PolarHBondContact N-O 2.95Å; L257-G261 PolarHBondContact O-N 3.12Å; R258-G261 PolarHBondContact O-N 3.12Å; K259-G261 PolarHBondContact O-N 3.32Å; G261-Y263 PolarHBondContact O-N 3.03Å
262A97.9Very high97.1Very high3 Ų336.5 Ų36.53%0.02517%0.169CC..  trans-64.3124.1169.500000109.4V232 R235 L257 R258 V265V232-A262 HydrophobicContact CB-CB 4.38Å; V232-A262 HydrophobicContact CG2-CB 4.27Å; V232-A262 WeakPolarHBondContact O-CA 3.21Å; R235-A262 VanDerWaalsContact O-CA 3.32Å; R235-A262 WeakPolarHBondContact O-CA 3.48Å; L257-A262 HydrophobicContact CB-CB 4.08Å; L257-A262 VanDerWaalsContact O-CB 3.25Å; L257-A262 WeakPolarHBondContact O-CB 3.32Å; L257-A262 PolarHBondContact O-N 3.45Å; R258-A262 VanDerWaalsContact CD-O 3.24Å; R258-A262 WeakPolarHBondContact CD-O 3.39Å; A262-V265 HydrophobicContact CB-CG2 4.47Å
263Y96.8Very high97.2Very high104 Ų10433.1 Ų33.141%0.40815%0.153SC..SBendtrans-88.5-12.1-176.576.9-91.9000113G234 R235 I236 R258 G261G234-Y263 WeakPolarHBondContact O-CD1 3.33Å; G234-Y263 WeakPolarHBondContact O-CE1 3.4Å; R235-Y263 WeakPolarHBondContact O-CD1 3.3Å; R235-Y263 PolarHBondContact O-N 3.27Å; R235-Y263 VanDerWaalsContact O-N 3.1Å; I236-Y263 WeakPolarHBondContact CD1-OH 3.38Å; I236-Y263 HydrophobicContact CG1-CE1 3.84Å; I236-Y263 HydrophobicContact CG1-CE2 4.21Å; I236-Y263 VanDerWaalsContact CG1-CZ 3.5Å; I236-Y263 WeakPolarHBondContact CG1-OH 3.42Å; R258-Y263 PolarHBondContact NH1-O 2.92Å; R258-Y263 PolarHBondContact NH2-O 3.13Å; G261-Y263 PolarHBondContact O-N 3.03Å
264K98.1Very high97.1Very high43 Ų4333 Ų3319%0.18715%0.153CC..EExtended strand (participates in β ladder)trans-147.8137.5172.9-170.7173.1-174.9174.70109.1I236 G237 I266 D288 E289I236-K264 CarbonylContact C-O 3.53Å; I236-K264 WeakPolarHBondContact CA-O 3.32Å; I236-K264 HydrophobicContact CG1-CB 4.31Å; I236-K264 HydrophobicContact CG2-CB 4.21Å; I236-K264 HydrophobicContact CG2-CG 4.45Å; G237-K264 PolarHBondContact N-O 3.1Å; K264-I266 HydrophobicContact CD-CD1 4.4Å; K264-I266 HydrophobicContact CD-CG1 4.48Å; K264-I266 HydrophobicContact CG-CG1 4.32Å; K264-D288 WeakPolarHBondContact CA-OD2 3.41Å; K264-D288 HydrophobicContact CG-CB 3.9Å; K264-E289 WeakPolarHBondContact CE-OE1 3.19Å; K264-E289 IonicContact NZ-OE1 2.67Å; K264-E289 PolarHBondContact NZ-OE1 3.38Å
265V98.5Very high96.6Very high0 Ų034.6 Ų34.60%016%0.163CC..EExtended strand (participates in β ladder)trans-120119.2177.7-1780000108.9G237 A254 L257 R258 A262 D288G237-V265 WeakPolarHBondContact O-CA 3.39Å; A254-V265 HydrophobicContact CB-CG1 3.81Å; L257-V265 HydrophobicContact CB-CG2 3.92Å; L257-V265 HydrophobicContact CD1-CG1 3.9Å; L257-V265 HydrophobicContact CD1-CG2 4.33Å; R258-V265 HydrophobicContact CG-CG2 4.09Å; A262-V265 HydrophobicContact CB-CG2 4.47Å; V265-D288 PolarHBondContact N-OD2 3.43Å; V265-D288 WeakPolarHBondContact O-CB 2.79Å; V265-D288 PolarHBondContact O-N 2.9Å
266I98.7Very high96Very high0 Ų039 Ų390%018%0.18CC..EExtended strand (participates in β ladder)trans-115134.6176.1-57.4179.8000107.2V163 I236 G237 I238 L239 K264 V268 E289 F291V163-I266 HydrophobicContact CB-CD1 4.38Å; V163-I266 HydrophobicContact CG1-CD1 3.83Å; V163-I266 HydrophobicContact CG2-CD1 3.59Å; I236-I266 HydrophobicContact CG2-CD1 4Å; I236-I266 HydrophobicContact CG2-CG1 4.19Å; G237-I266 PolarHBondContact O-N 3.21Å; I238-I266 CarbonylContact C-O 3.48Å; I238-I266 VanDerWaalsContact CA-O 3.29Å; I238-I266 WeakPolarHBondContact CA-O 3.28Å; I238-I266 HydrophobicContact CG1-CB 4.43Å; L239-I266 PolarHBondContact N-O 3.32Å; K264-I266 HydrophobicContact CD-CD1 4.4Å; K264-I266 HydrophobicContact CD-CG1 4.48Å; K264-I266 HydrophobicContact CG-CG1 4.32Å; I266-V268 HydrophobicContact CG2-CG2 4.29Å; I266-E289 CarbonylContact C-O 3.58Å; I266-E289 VanDerWaalsContact CA-O 3.29Å; I266-E289 WeakPolarHBondContact CA-O 3.33Å; I266-E289 HydrophobicContact CG1-CB 4.36Å; I266-E289 HydrophobicContact CG2-CB 4.35Å; I266-F291 HydrophobicContact CG2-CD2 3.87Å; I266-F291 HydrophobicContact CG2-CE2 3.77Å; I266-F291 HydrophobicContact CG2-CG 4.32Å; I266-F291 HydrophobicContact CG2-CZ 4.14Å
267V98.6Very high95.6Very high0 Ų040.8 Ų40.80%019%0.194CC..EExtended strand (participates in β ladder)trans-103.1135.1171.7-1760000108.9L239 M244 F250 I287 E289 I290 F291L239-V267 HydrophobicContact CB-CG2 4.29Å; L239-V267 HydrophobicContact CD2-CG2 4.23Å; L239-V267 CarbonylContact O-C 3.56Å; L239-V267 WeakPolarHBondContact O-CA 3.17Å; M244-V267 HydrophobicContact CE-CB 4.36Å; M244-V267 HydrophobicContact CE-CG1 3.92Å; M244-V267 HydrophobicContact CE-CG2 4.48Å; M244-V267 HydrophobicContact SD-CB 4.39Å; M244-V267 HydrophobicContact SD-CG1 3.66Å; F250-V267 HydrophobicContact CD1-CG1 3.68Å; F250-V267 HydrophobicContact CE1-CG1 3.9Å; V267-I287 HydrophobicContact CG2-CD1 3.85Å; V267-I287 HydrophobicContact CG2-CG1 4.12Å; V267-I287 HydrophobicContact CG2-CG2 3.81Å; V267-E289 PolarHBondContact N-O 3.06Å; V267-I290 HydrophobicContact CB-CG1 4.43Å; V267-I290 CarbonylContact O-C 3.43Å; V267-I290 WeakPolarHBondContact O-CA 3.3Å; V267-F291 PolarHBondContact O-N 3.1Å
268V98.6Very high95.3Very high2 Ų241 Ų411%0.01220%0.196CC..EExtended strand (participates in β ladder)trans-124117.9175.6-179.40000107.7I155 I159 I238 L239 V240 D241 I266 F291I155-V268 HydrophobicContact CD1-CG1 4.35Å; I155-V268 HydrophobicContact CG1-CG1 4.5Å; I155-V268 HydrophobicContact CG2-CG1 3.64Å; I159-V268 HydrophobicContact CD1-CG2 4.32Å; I238-V268 HydrophobicContact CG2-CB 4.39Å; I238-V268 HydrophobicContact CG2-CG2 3.51Å; L239-V268 PolarHBondContact O-N 3.06Å; V240-V268 VanDerWaalsContact CA-O 3.32Å; V240-V268 WeakPolarHBondContact CA-O 3.34Å; V240-V268 HydrophobicContact CG2-CB 4.41Å; D241-V268 PolarHBondContact N-O 3Å; D241-V268 VanDerWaalsContact N-O 3.13Å; I266-V268 HydrophobicContact CG2-CG2 4.29Å; V268-F291 WeakPolarHBondContact CA-O 3.3Å; V268-F291 HydrophobicContact CG2-CB 4.24Å; V268-F291 HydrophobicContact CG2-CD2 4.08Å
269A97.3Very high95.2Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-129144.7171.900000110.2D241 M244 F291 V292D241-A269 WeakPolarHBondContact O-CA 3.36Å; M244-A269 HydrophobicContact CB-CB 3.7Å; A269-F291 PolarHBondContact N-O 2.83Å; A269-V292 HydrophobicContact CB-CG1 4.2Å; A269-V292 VanDerWaalsContact O-CA 3.31Å; A269-V292 WeakPolarHBondContact O-CA 3.45Å
270T96.8Very high95.2Very high1 Ų133 Ų331%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-64.8-53.7174.9-55.70000109.2L131 D132 A151 K181 D242 T293 T295L131-T270 HydrophobicContact CD2-CG2 3.07Å; D132-T270 HydrophobicContact CB-CG2 3.71Å; D132-T270 WeakPolarHBondContact OD2-CG2 3.27Å; D132-T270 PolarHBondContact OD2-OG1 3.47Å; A151-T270 HydrophobicContact CB-CG2 4.21Å; K181-T270 PolarHBondContact NZ-OG1 2.86Å; D242-T270 WeakPolarHBondContact O-CB 3.5Å; D242-T270 PolarHBondContact O-N 3.29Å; T270-T293 HydrophobicContact CG2-CG2 4.25Å; T270-T293 WeakPolarHBondContact O-CB 3.25Å; T270-T293 WeakPolarHBondContact O-CG2 3.43Å; T270-T293 PolarHBondContact O-N 3.28Å; T270-T293 VanDerWaalsContact O-N 3.11Å; T270-T293 PolarHBondContact O-OG1 2.81Å; T270-T295 HydrophobicContact CG2-CG2 4.47Å; T270-T295 PolarHBondContact O-OG1 2.76Å
271H96.9Very high95.1Very high2 Ų229.2 Ų29.21%0.00916%0.158CC..EExtended strand (participates in β ladder)trans-107.9112.9-174.5-48.3-69.9000111.5P95 Y96 L131 D132 D242 V243 M244 T295P95-H271 PolarHBondContact O-CE1 2.99Å; P95-H271 VanDerWaalsContact O-CE1 3.31Å; Y96-H271 HydrophobicContact CD2-CB 3.81Å; Y96-H271 AromaticContact CD2-CD2 3.67Å; Y96-H271 AromaticContact CD2-CG 3.45Å; Y96-H271 VanDerWaalsContact CD2-CG 3.45Å; Y96-H271 AromaticContact CD2-ND1 3.72Å; Y96-H271 HydrophobicContact CE2-CB 4.29Å; Y96-H271 HydrophobicContact CG-CB 4.35Å; L131-H271 PolarHBondContact O-CE1 3.43Å; L131-H271 PolarHBondContact O-NE2 2.91Å; D132-H271 PolarHBondContact O-NE2 3.49Å; D242-H271 PolarHBondContact O-CD2 3.31Å; D242-H271 VanDerWaalsContact O-CD2 3.3Å; D242-H271 PolarHBondContact O-N 3.35Å; V243-H271 CarbonylContact C-O 3.49Å; V243-H271 VanDerWaalsContact CA-O 3.31Å; V243-H271 WeakPolarHBondContact CA-O 3.41Å; V243-H271 HydrophobicContact CB-CB 4.48Å; V243-H271 HydrophobicContact CG1-CB 4.37Å; V243-H271 HydrophobicContact CG2-CB 4.08Å; M244-H271 PolarHBondContact N-O 2.84Å; H271-T295 WeakPolarHBondContact ND1-CB 3.44Å; H271-T295 PolarHBondContact ND1-OG1 2.91Å
272G96.2Very high95.1Very high0 Ų027.5 Ų27.50%014%0.14CC..EExtended strand (participates in β ladder)trans-98106.8172.900000111.5
273I94.8Very high95.1Very high10 Ų1030.7 Ų30.75%0.05116%0.155CC..  trans-96.6-43-179-50.5178.5000111Q66 Y96 V243 M244 D245 T275Q66-I273 HydrophobicContact CG-CG2 4.47Å; Y96-I273 HydrophobicContact CE1-CD1 3.7Å; Y96-I273 HydrophobicContact CE1-CG1 4.44Å; Y96-I273 HydrophobicContact CE2-CD1 4.32Å; Y96-I273 WeakPolarHBondContact OH-CD1 3.36Å; V243-I273 HydrophobicContact CG1-CD1 3.57Å; V243-I273 HydrophobicContact CG1-CG1 3.99Å; M244-I273 PolarHBondContact O-N 3Å; D245-I273 HydrophobicContact CB-CB 4.03Å; D245-I273 HydrophobicContact CB-CD1 4.29Å; D245-I273 HydrophobicContact CB-CG1 4.48Å; I273-T275 HydrophobicContact CG2-CG2 3.86Å
274F93.4Very high95Very high2 Ų232.8 Ų32.81%0.00917%0.173CC..  trans47.963.1175.5-52-59.3000113.6M244 A278 P279 L282 I290 V292 H298 Q301 I308M244-F274 HydrophobicContact CB-CE1 4.15Å; M244-F274 HydrophobicContact CE-CE1 4.49Å; M244-F274 HydrophobicContact CG-CD1 4.41Å; M244-F274 HydrophobicContact CG-CE1 3.77Å; M244-F274 PolarHBondContact O-N 2.73Å; M244-F274 HydrophobicContact SD-CE1 3.74Å; M244-F274 HydrophobicContact SD-CZ 4.33Å; F274-A278 HydrophobicContact CB-CB 4.34Å; F274-P279 HydrophobicContact CB-CG 4.33Å; F274-L282 HydrophobicContact CD1-CD1 3.93Å; F274-L282 HydrophobicContact CE1-CD1 3.82Å; F274-I290 HydrophobicContact CE1-CG2 4.48Å; F274-I290 HydrophobicContact CZ-CG2 4.11Å; F274-V292 HydrophobicContact CE2-CG1 4.24Å; F274-V292 HydrophobicContact CE2-CG2 3.91Å; F274-V292 HydrophobicContact CZ-CB 4.5Å; F274-V292 HydrophobicContact CZ-CG1 3.7Å; F274-V292 HydrophobicContact CZ-CG2 4.11Å; F274-H298 HydrophobicContact CD2-CB 4.06Å; F274-H298 HydrophobicContact CE2-CB 4.39Å; F274-Q301 HydrophobicContact CB-CB 4.32Å; F274-Q301 HydrophobicContact CB-CG 3.84Å; F274-Q301 HydrophobicContact CD2-CB 4.37Å; F274-I308 HydrophobicContact CD2-CD1 4.06Å; F274-I308 HydrophobicContact CE1-CD1 4.38Å; F274-I308 HydrophobicContact CE2-CD1 3.84Å; F274-I308 HydrophobicContact CE2-CG1 4.37Å; F274-I308 HydrophobicContact CE2-CG2 3.88Å; F274-I308 HydrophobicContact CG-CD1 4.4Å; F274-I308 HydrophobicContact CZ-CD1 4.01Å; F274-I308 HydrophobicContact CZ-CG1 4.22Å; F274-I308 HydrophobicContact CZ-CG2 4.19Å
275T86.9Confident95Very high35 Ų3531.5 Ų31.522%0.21517%0.17CC..  trans-74.9165.6174.358.60000112.5Q66 D245 I273 S277 A278Q66-T275 HydrophobicContact CG-CG2 4.25Å; D245-T275 VanDerWaalsContact OD1-CB 3.27Å; D245-T275 WeakPolarHBondContact OD1-CB 3.46Å; D245-T275 WeakPolarHBondContact OD1-CG2 3.46Å; D245-T275 PolarHBondContact OD1-N 2.95Å; D245-T275 PolarHBondContact OD1-OG1 3.38Å; I273-T275 HydrophobicContact CG2-CG2 3.86Å; T275-S277 PolarHBondContact O-N 3.21Å; T275-A278 WeakPolarHBondContact O-CB 3.4Å; T275-A278 PolarHBondContact O-N 2.99Å
276Q83.9Confident94.9Very high140 Ų14034.4 Ų34.465%0.65419%0.187SC*.THydrogen-bonded Turntrans54.6-133.1173.1-55.1-177.3-22.900113.1Y209 A278Y209-Q276 PolarHBondContact OH-NE2 3.23Å; Q276-A278 VanDerWaalsContact C-N 3.27Å; Q276-A278 PolarHBondContact O-N 3.15Å
277S88.3Confident94.9Very high69 Ų6934.5 Ų34.548%0.48319%0.188SC..THydrogen-bonded Turntrans-869-177.8-57.20000113.4T275 L280 L281T275-S277 PolarHBondContact O-N 3.21Å; S277-L280 PolarHBondContact O-N 3.29Å; S277-L280 VanDerWaalsContact O-N 3.13Å; S277-L281 WeakPolarHBondContact O-CG 3.41Å; S277-L281 PolarHBondContact O-N 3.06Å
278A93.3Very high94.9Very high5 Ų537.2 Ų37.24%0.04120%0.202CC..Hα-helixtrans-52-45.9-174.600000114D245 V247 F274 T275 Q276 L280 L281 L282D245-A278 WeakPolarHBondContact O-CB 3.38Å; V247-A278 HydrophobicContact CB-CB 4.45Å; V247-A278 HydrophobicContact CG1-CB 3.74Å; V247-A278 HydrophobicContact CG2-CB 3.85Å; F274-A278 HydrophobicContact CB-CB 4.34Å; T275-A278 WeakPolarHBondContact O-CB 3.4Å; T275-A278 PolarHBondContact O-N 2.99Å; Q276-A278 VanDerWaalsContact C-N 3.27Å; Q276-A278 PolarHBondContact O-N 3.15Å; A278-L280 PolarHBondContact O-N 3.36Å; A278-L281 PolarHBondContact O-N 3.41Å; A278-L282 WeakPolarHBondContact O-CB 3.46Å; A278-L282 WeakPolarHBondContact O-CG 3.28Å; A278-L282 PolarHBondContact O-N 3.13Å
279P95.2Very high94.9Very high2 Ų239.1 Ų39.11%0.01321%0.211CC..Hα-helixtrans-60.3-43.6178.8-23.534.9000113.2F274 L282 E283 Q301 Q304 C305F274-P279 HydrophobicContact CB-CG 4.33Å; P279-L282 PolarHBondContact O-N 3.39Å; P279-E283 PolarHBondContact O-N 3.36Å; P279-Q301 HydrophobicContact CB-CB 4.34Å; P279-Q301 HydrophobicContact CG-CB 3.68Å; P279-Q301 HydrophobicContact CG-CG 3.51Å; P279-Q304 HydrophobicContact CB-CB 3.69Å; P279-C305 HydrophobicContact CB-CB 4.03Å; P279-C305 WeakPolarHBondContact O-CB 3.41Å
280L95.3Very high95Very high92 Ų9239.1 Ų39.148%0.48221%0.211SC..Hα-helixtrans-64.6-44.8179.6-65.1171.9000111.2S277 A278 L282 E283 D284S277-L280 PolarHBondContact O-N 3.29Å; S277-L280 VanDerWaalsContact O-N 3.13Å; A278-L280 PolarHBondContact O-N 3.36Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 2.9Å; L280-E283 PolarHBondContact O-N 3.01Å; L280-D284 PolarHBondContact O-N 3.37Å; L280-D284 VanDerWaalsContact O-N 3.13Å
281L95.5Very high95Very high67 Ų6739.1 Ų39.135%0.35121%0.211SC..Hα-helixtrans-61.3-37.4176.8-66.9176.5000112.1V247 E248 I251 S277 A278 S285V247-L281 HydrophobicContact CG2-CB 3.91Å; V247-L281 HydrophobicContact CG2-CD1 4.05Å; E248-L281 WeakPolarHBondContact OE1-CD1 3.31Å; I251-L281 HydrophobicContact CD1-CB 3.88Å; S277-L281 WeakPolarHBondContact O-CG 3.41Å; S277-L281 PolarHBondContact O-N 3.06Å; A278-L281 PolarHBondContact O-N 3.41Å; L281-S285 VanDerWaalsContact O-CB 3.3Å; L281-S285 WeakPolarHBondContact O-CB 3.31Å; L281-S285 PolarHBondContact O-N 3.14Å; L281-S285 VanDerWaalsContact O-N 3.16Å
282L96.8Very high95.1Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-69-38.7177.1-71.4169.1000112.3M244 V247 I251 F274 A278 P279 L280 S285 I287 I290 K307M244-L282 HydrophobicContact CE-CD1 4.13Å; M244-L282 HydrophobicContact CE-CD2 3.54Å; M244-L282 HydrophobicContact CE-CG 4.45Å; V247-L282 HydrophobicContact CB-CD2 3.88Å; V247-L282 HydrophobicContact CB-CG 4.1Å; V247-L282 HydrophobicContact CG1-CD1 3.8Å; V247-L282 HydrophobicContact CG1-CD2 3.95Å; V247-L282 HydrophobicContact CG1-CG 3.91Å; V247-L282 HydrophobicContact CG2-CD2 4.39Å; V247-L282 HydrophobicContact CG2-CG 4.21Å; I251-L282 HydrophobicContact CG1-CD2 4.45Å; F274-L282 HydrophobicContact CD1-CD1 3.93Å; F274-L282 HydrophobicContact CE1-CD1 3.82Å; A278-L282 WeakPolarHBondContact O-CB 3.46Å; A278-L282 WeakPolarHBondContact O-CG 3.28Å; A278-L282 PolarHBondContact O-N 3.13Å; P279-L282 PolarHBondContact O-N 3.39Å; L280-L282 VanDerWaalsContact C-N 3.28Å; L280-L282 PolarHBondContact O-N 2.9Å; L282-S285 WeakPolarHBondContact O-CB 3.36Å; L282-S285 PolarHBondContact O-N 3.06Å; L282-S285 PolarHBondContact O-OG 2.96Å; L282-I287 HydrophobicContact CD2-CD1 3.75Å; L282-I290 HydrophobicContact CB-CD1 3.87Å; L282-I290 HydrophobicContact CD1-CD1 3.55Å; L282-I290 HydrophobicContact CD2-CD1 3.66Å; L282-I290 HydrophobicContact CG-CD1 3.87Å; L282-K307 PolarHBondContact O-NZ 3.31Å
283E96.5Very high95.2Very high71 Ų7139 Ų3933%0.33221%0.21SC..Hα-helixtrans-62.4-44.1177.1-169.558.2-157.400111.4P279 L280 S285 C305 P306 K307P279-E283 PolarHBondContact O-N 3.36Å; L280-E283 PolarHBondContact O-N 3.01Å; E283-S285 PolarHBondContact O-N 2.98Å; E283-C305 HydrophobicContact CB-CB 4.37Å; E283-C305 PolarHBondContact OE2-SG 3.12Å; E283-P306 WeakPolarHBondContact OE2-CD 3.14Å; E283-K307 VanDerWaalsContact O-CE 3.3Å; E283-K307 WeakPolarHBondContact O-CE 3.23Å; E283-K307 PolarHBondContact O-NZ 3.46Å
284D96Very high95.3Very high147 Ų14739.1 Ų39.179%0.78621%0.211SC*.THydrogen-bonded Turntrans-78.5-4.7177.9-67.2-29.1000113.6L280L280-D284 PolarHBondContact O-N 3.37Å; L280-D284 VanDerWaalsContact O-N 3.13Å
285S97.4Very high95.5Very high17 Ų1739 Ų3912%0.11921%0.211CC..SBendtrans-83.8167.5-176.779.80000114.6L281 L282 E283 I287 K307L281-S285 VanDerWaalsContact O-CB 3.3Å; L281-S285 WeakPolarHBondContact O-CB 3.31Å; L281-S285 PolarHBondContact O-N 3.14Å; L281-S285 VanDerWaalsContact O-N 3.16Å; L282-S285 WeakPolarHBondContact O-CB 3.36Å; L282-S285 PolarHBondContact O-N 3.06Å; L282-S285 PolarHBondContact O-OG 2.96Å; E283-S285 PolarHBondContact O-N 2.98Å; S285-I287 PolarHBondContact O-N 3.3Å; S285-I287 WeakPolarHBondContact OG-CB 3.3Å; S285-I287 PolarHBondContact OG-N 3.31Å; S285-K307 PolarHBondContact O-NZ 3.16Å
286V97.1Very high96Very high61 Ų6137.5 Ų37.537%0.3720%0.201SC..SBendtrans-75.4-0.6173.9-58.30000114.5A254 V255 R258A254-V286 HydrophobicContact CB-CG2 3.78Å; V255-V286 HydrophobicContact CG2-CG1 4.36Å; V255-V286 HydrophobicContact CG2-CG2 3.75Å; R258-V286 HydrophobicContact CG-CB 4.19Å; R258-V286 HydrophobicContact CG-CG2 4.14Å
287I98.5Very high96.6Very high2 Ų232.7 Ų32.71%0.0118%0.182CC..  trans-73.4132.8175-62.5163.6000108.1F250 I251 A254 V267 L282 S285 I290 K307F250-I287 HydrophobicContact CB-CD1 4.46Å; I251-I287 HydrophobicContact CG1-CD1 4.16Å; A254-I287 HydrophobicContact CB-CD1 4.23Å; A254-I287 HydrophobicContact CB-CG1 3.52Å; V267-I287 HydrophobicContact CG2-CD1 3.85Å; V267-I287 HydrophobicContact CG2-CG1 4.12Å; V267-I287 HydrophobicContact CG2-CG2 3.81Å; L282-I287 HydrophobicContact CD2-CD1 3.75Å; S285-I287 PolarHBondContact O-N 3.3Å; S285-I287 WeakPolarHBondContact OG-CB 3.3Å; S285-I287 PolarHBondContact OG-N 3.31Å; I287-I290 HydrophobicContact CG2-CD1 4.27Å; I287-I290 HydrophobicContact CG2-CG1 3.68Å; I287-K307 WeakPolarHBondContact O-CD 3.39Å; I287-K307 WeakPolarHBondContact O-CE 3.29Å; I287-K307 PolarHBondContact O-NZ 3.19Å
288D98.3Very high96.9Very high57 Ų5729.5 Ų29.531%0.30516%0.159SC..  trans-87.1-47.7-177.5-58.9-92.7000111.9R258 K264 V265R258-D288 IonicContact CZ-OD2 3.86Å; R258-D288 IonicContact NH2-OD1 3.71Å; R258-D288 PolarHBondContact NH2-OD1 3Å; R258-D288 IonicContact NH2-OD2 3.2Å; R258-D288 PolarHBondContact NH2-OD2 2.99Å; K264-D288 WeakPolarHBondContact CA-OD2 3.41Å; K264-D288 HydrophobicContact CG-CB 3.9Å; V265-D288 PolarHBondContact N-OD2 3.43Å; V265-D288 WeakPolarHBondContact O-CB 2.79Å; V265-D288 PolarHBondContact O-N 2.9Å
289E98.3Very high96.9Very high42 Ų4233 Ų3320%0.19618%0.175CC..EExtended strand (participates in β ladder)trans-143148.6-177.4-67.9-178.3-130.600111K264 I266 V267 F291K264-E289 WeakPolarHBondContact CE-OE1 3.19Å; K264-E289 IonicContact NZ-OE1 2.67Å; K264-E289 PolarHBondContact NZ-OE1 3.38Å; I266-E289 CarbonylContact C-O 3.58Å; I266-E289 VanDerWaalsContact CA-O 3.29Å; I266-E289 WeakPolarHBondContact CA-O 3.33Å; I266-E289 HydrophobicContact CG1-CB 4.36Å; I266-E289 HydrophobicContact CG2-CB 4.35Å; V267-E289 PolarHBondContact N-O 3.06Å; E289-F291 HydrophobicContact CB-CE1 3.92Å; E289-F291 HydrophobicContact CB-CZ 4.36Å; E289-F291 VanDerWaalsContact OE2-CE1 3.23Å; E289-F291 WeakPolarHBondContact OE2-CE1 3.36Å; E289-F291 WeakPolarHBondContact OE2-CZ 3.35Å
290I98.6Very high96.7Very high0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-130117-178.5-58167.7000107.9M244 V267 F274 L282 I287 V292 K307 I308 K309M244-I290 HydrophobicContact CE-CD1 4.36Å; M244-I290 HydrophobicContact CE-CG2 4.43Å; M244-I290 HydrophobicContact SD-CG2 3.74Å; V267-I290 HydrophobicContact CB-CG1 4.43Å; V267-I290 CarbonylContact O-C 3.43Å; V267-I290 WeakPolarHBondContact O-CA 3.3Å; F274-I290 HydrophobicContact CE1-CG2 4.48Å; F274-I290 HydrophobicContact CZ-CG2 4.11Å; L282-I290 HydrophobicContact CB-CD1 3.87Å; L282-I290 HydrophobicContact CD1-CD1 3.55Å; L282-I290 HydrophobicContact CD2-CD1 3.66Å; L282-I290 HydrophobicContact CG-CD1 3.87Å; I287-I290 HydrophobicContact CG2-CD1 4.27Å; I287-I290 HydrophobicContact CG2-CG1 3.68Å; I290-V292 HydrophobicContact CG2-CG1 4.12Å; I290-K307 PolarHBondContact N-O 2.72Å; I290-I308 HydrophobicContact CB-CG1 4.42Å; I290-I308 HydrophobicContact CD1-CG1 4.22Å; I290-I308 CarbonylContact O-C 3.56Å; I290-K309 PolarHBondContact O-N 3.19Å
291F98.6Very high96.7Very high1 Ų135.3 Ų35.30%0.00419%0.185CC..EExtended strand (participates in β ladder)trans-104.8116.9177.8-56-22.5000109.6H158 I159 K162 V163 I266 V267 V268 A269 E289 K309 I311H158-F291 AromaticContact CD2-CD2 3.81Å; H158-F291 AromaticContact CD2-CE2 3.99Å; H158-F291 AromaticContact CD2-CG 3.93Å; H158-F291 AromaticContact NE2-CD1 3.95Å; I159-F291 HydrophobicContact CG1-CD2 4.36Å; I159-F291 HydrophobicContact CG1-CE2 4.46Å; K162-F291 HydrophobicContact CB-CZ 4.27Å; V163-F291 HydrophobicContact CG2-CE2 3.58Å; V163-F291 HydrophobicContact CG2-CZ 3.93Å; I266-F291 HydrophobicContact CG2-CD2 3.87Å; I266-F291 HydrophobicContact CG2-CE2 3.77Å; I266-F291 HydrophobicContact CG2-CG 4.32Å; I266-F291 HydrophobicContact CG2-CZ 4.14Å; V267-F291 PolarHBondContact O-N 3.1Å; V268-F291 WeakPolarHBondContact CA-O 3.3Å; V268-F291 HydrophobicContact CG2-CB 4.24Å; V268-F291 HydrophobicContact CG2-CD2 4.08Å; A269-F291 PolarHBondContact N-O 2.83Å; E289-F291 HydrophobicContact CB-CE1 3.92Å; E289-F291 HydrophobicContact CB-CZ 4.36Å; E289-F291 VanDerWaalsContact OE2-CE1 3.23Å; E289-F291 WeakPolarHBondContact OE2-CE1 3.36Å; E289-F291 WeakPolarHBondContact OE2-CZ 3.35Å; F291-K309 WeakPolarHBondContact CA-O 3.47Å; F291-K309 HydrophobicContact CD1-CB 3.81Å; F291-K309 HydrophobicContact CD1-CG 4.05Å; F291-K309 HydrophobicContact CE1-CB 4.14Å; F291-K309 HydrophobicContact CE1-CG 3.94Å; F291-I311 HydrophobicContact CB-CD1 3.89Å; F291-I311 HydrophobicContact CB-CG1 4.43Å
292V98.2Very high96.6Very high0 Ų034.4 Ų34.40%018%0.178CC..EExtended strand (participates in β ladder)trans-128.6154.2175.5-68.10000110.9A269 F274 I290 I308 K309 T310 I311A269-V292 HydrophobicContact CB-CG1 4.2Å; A269-V292 VanDerWaalsContact O-CA 3.31Å; A269-V292 WeakPolarHBondContact O-CA 3.45Å; F274-V292 HydrophobicContact CE2-CG1 4.24Å; F274-V292 HydrophobicContact CE2-CG2 3.91Å; F274-V292 HydrophobicContact CZ-CB 4.5Å; F274-V292 HydrophobicContact CZ-CG1 3.7Å; F274-V292 HydrophobicContact CZ-CG2 4.11Å; I290-V292 HydrophobicContact CG2-CG1 4.12Å; V292-I308 HydrophobicContact CG2-CG2 3.81Å; V292-K309 PolarHBondContact N-O 2.68Å; V292-T310 CarbonylContact O-C 3.48Å; V292-T310 VanDerWaalsContact O-CA 3.24Å; V292-T310 WeakPolarHBondContact O-CA 3.48Å; V292-I311 PolarHBondContact O-N 3.5Å
293T98.3Very high96.5Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-83.2159.1175.173.70000111.4A151 T270 T295 H298 I311 I313A151-T293 HydrophobicContact CB-CG2 4.09Å; T270-T293 HydrophobicContact CG2-CG2 4.25Å; T270-T293 WeakPolarHBondContact O-CB 3.25Å; T270-T293 WeakPolarHBondContact O-CG2 3.43Å; T270-T293 PolarHBondContact O-N 3.28Å; T270-T293 VanDerWaalsContact O-N 3.11Å; T270-T293 PolarHBondContact O-OG1 2.81Å; T293-T295 PolarHBondContact O-N 3.41Å; T293-T295 WeakPolarHBondContact OG1-CB 3.46Å; T293-T295 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T295 PolarHBondContact OG1-N 2.79Å; T293-T295 PolarHBondContact OG1-OG1 2.85Å; T293-H298 PolarHBondContact O-CE1 2.94Å; T293-I311 WeakPolarHBondContact CA-O 3.38Å; T293-I311 HydrophobicContact CG2-CB 4.31Å; T293-I313 HydrophobicContact CG2-CG2 3.54Å
294N97Very high96.4Very high12 Ų1242.2 Ų42.26%0.06422%0.218CC..THydrogen-bonded Turntrans-74.929.2168.858.7-11.8000113.6H17 L20 V296 T310 I311 D312 I313H17-N294 PolarHBondContact CD2-O 2.88Å; H17-N294 PolarHBondContact NE2-O 2.76Å; L20-N294 WeakPolarHBondContact CD2-O 3.47Å; N294-V296 PolarHBondContact O-N 2.83Å; N294-T310 HydrophobicContact CB-CG2 3.64Å; N294-I311 PolarHBondContact N-O 3.5Å; N294-I311 VanDerWaalsContact N-O 3.13Å; N294-I311 PolarHBondContact OD1-O 2.74Å; N294-D312 PolarHBondContact ND2-OD1 2.92Å; N294-D312 WeakPolarHBondContact OD1-CA 3.37Å; N294-D312 PolarHBondContact OD1-OD1 3.3Å; N294-I313 VanDerWaalsContact OD1-CD1 3.26Å; N294-I313 WeakPolarHBondContact OD1-CD1 3.23Å; N294-I313 WeakPolarHBondContact OD1-CG1 3.36Å; N294-I313 PolarHBondContact OD1-N 3.31Å
295T97.9Very high96.4Very high0 Ų035.2 Ų35.20%018%0.18CC..THydrogen-bonded Turntrans-64.3-28172.9480000112.8T63 P95 L131 T270 H271 T293 I313T63-T295 VanDerWaalsContact CB-O 3.3Å; T63-T295 WeakPolarHBondContact CB-O 3.5Å; T63-T295 VanDerWaalsContact CG2-O 3.29Å; T63-T295 WeakPolarHBondContact CG2-O 3.24Å; T63-T295 PolarHBondContact OG1-O 2.78Å; P95-T295 HydrophobicContact CB-CG2 3.68Å; L131-T295 HydrophobicContact CD1-CG2 4.24Å; L131-T295 HydrophobicContact CD2-CG2 3.77Å; L131-T295 HydrophobicContact CG-CG2 4.41Å; T270-T295 HydrophobicContact CG2-CG2 4.47Å; T270-T295 PolarHBondContact O-OG1 2.76Å; H271-T295 WeakPolarHBondContact ND1-CB 3.44Å; H271-T295 PolarHBondContact ND1-OG1 2.91Å; T293-T295 PolarHBondContact O-N 3.41Å; T293-T295 WeakPolarHBondContact OG1-CB 3.46Å; T293-T295 WeakPolarHBondContact OG1-CG2 3.45Å; T293-T295 PolarHBondContact OG1-N 2.79Å; T293-T295 PolarHBondContact OG1-OG1 2.85Å; T295-I313 HydrophobicContact CG2-CG1 3.96Å
296V96.9Very high96.3Very high2 Ų238 Ų381%0.01220%0.198CC..SBendtrans-131135.7175.9-179.30000107.4Y96 N294 H298Y96-V296 HydrophobicContact CD1-CG2 3.72Å; Y96-V296 HydrophobicContact CG-CG2 3.8Å; N294-V296 PolarHBondContact O-N 2.83Å; V296-H298 PolarHBondContact O-N 2.83Å; V296-H298 PolarHBondContact O-ND1 2.74Å
297P96.2Very high96.4Very high39 Ų3936.8 Ų36.825%0.25319%0.188SC..  trans-66.3132.7179.826.8-34.2000111.2H17 T65H17-P297 HydrophobicContact CB-CG 4.4Å; T65-P297 HydrophobicContact CG2-CG 3.84Å
298H95.2Very high96.3Very high2 Ų237 Ų371%0.00919%0.188CC..  trans-143.924.9-176.954.2-91.8000114F274 T293 V296 M300 Q301 K302 T310F274-H298 HydrophobicContact CD2-CB 4.06Å; F274-H298 HydrophobicContact CE2-CB 4.39Å; T293-H298 PolarHBondContact O-CE1 2.94Å; V296-H298 PolarHBondContact O-N 2.83Å; V296-H298 PolarHBondContact O-ND1 2.74Å; H298-M300 PolarHBondContact O-N 3.44Å; H298-Q301 VanDerWaalsContact C-OE1 3.29Å; H298-Q301 VanDerWaalsContact CA-OE1 3.23Å; H298-Q301 HydrophobicContact CB-CB 4.44Å; H298-Q301 WeakPolarHBondContact O-CB 3.44Å; H298-Q301 PolarHBondContact O-N 3.03Å; H298-Q301 PolarHBondContact O-OE1 3.11Å; H298-K302 PolarHBondContact O-N 3.42Å; H298-K302 VanDerWaalsContact O-N 3.14Å; H298-T310 PolarHBondContact NE2-OG1 3.2Å
299E92.8Very high96.3Very high79 Ų7938.5 Ų38.537%0.36919%0.193SC..Hα-helixtrans-63.3-38.6-178.5-65.2-50.8120.200112.9Q301 K302 I303E299-Q301 PolarHBondContact O-N 3.2Å; E299-K302 PolarHBondContact O-N 3.46Å; E299-K302 IonicContact OE1-NZ 3.62Å; E299-K302 PolarHBondContact OE1-NZ 3.26Å; E299-K302 IonicContact OE2-NZ 3.8Å; E299-K302 PolarHBondContact OE2-NZ 3.42Å; E299-I303 PolarHBondContact O-N 2.92Å
300M92.3Very high96.3Very high131 Ų13138.3 Ų38.365%0.64519%0.194SC*.Hα-helixtrans-63.3-33.1176.6-63.1-170.6-56.200112H298 I303H298-M300 PolarHBondContact O-N 3.44Å; M300-I303 PolarHBondContact O-N 2.92Å
301Q94.2Very high96.3Very high12 Ų1238.6 Ų38.66%0.05620%0.196CC..Hα-helixtrans-74.5-34.3179.5-69.286.7-16.200111.9F274 P279 H298 E299 I303 Q304 C305 I308F274-Q301 HydrophobicContact CB-CB 4.32Å; F274-Q301 HydrophobicContact CB-CG 3.84Å; F274-Q301 HydrophobicContact CD2-CB 4.37Å; P279-Q301 HydrophobicContact CB-CB 4.34Å; P279-Q301 HydrophobicContact CG-CB 3.68Å; P279-Q301 HydrophobicContact CG-CG 3.51Å; H298-Q301 VanDerWaalsContact C-OE1 3.29Å; H298-Q301 VanDerWaalsContact CA-OE1 3.23Å; H298-Q301 HydrophobicContact CB-CB 4.44Å; H298-Q301 WeakPolarHBondContact O-CB 3.44Å; H298-Q301 PolarHBondContact O-N 3.03Å; H298-Q301 PolarHBondContact O-OE1 3.11Å; E299-Q301 PolarHBondContact O-N 3.2Å; Q301-I303 VanDerWaalsContact C-N 3.25Å; Q301-I303 PolarHBondContact O-N 2.83Å; Q301-Q304 PolarHBondContact O-N 3.31Å; Q301-Q304 VanDerWaalsContact O-N 3.12Å; Q301-C305 PolarHBondContact O-N 3.44Å; Q301-I308 HydrophobicContact CB-CD1 4.27Å
302K94.4Very high96.2Very high47 Ų4741.3 Ų41.320%0.20421%0.21CC..Hα-helixtrans-62.7-31.7172.8-71.7176.4179.5166.30113.5H298 E299 Q304 C305 I308 T310H298-K302 PolarHBondContact O-N 3.42Å; H298-K302 VanDerWaalsContact O-N 3.14Å; E299-K302 PolarHBondContact O-N 3.46Å; E299-K302 IonicContact OE1-NZ 3.62Å; E299-K302 PolarHBondContact OE1-NZ 3.26Å; E299-K302 IonicContact OE2-NZ 3.8Å; E299-K302 PolarHBondContact OE2-NZ 3.42Å; K302-Q304 PolarHBondContact O-N 3.07Å; K302-C305 CarbonylContact O-C 3.47Å; K302-C305 VanDerWaalsContact O-C 3.23Å; K302-C305 PolarHBondContact O-N 3.18Å; K302-I308 HydrophobicContact CG-CB 4.13Å; K302-I308 HydrophobicContact CG-CG2 4.04Å; K302-T310 WeakPolarHBondContact CE-OG1 3.45Å; K302-T310 PolarHBondContact NZ-OG1 3.05Å
303I94.2Very high96.1Very high145 Ų14541.3 Ų41.374%0.74421%0.21SC*.Hα-helixtrans-63.5-37.3175.5-62.4170.3000110.1E299 M300 Q301E299-I303 PolarHBondContact O-N 2.92Å; M300-I303 PolarHBondContact O-N 2.92Å; Q301-I303 VanDerWaalsContact C-N 3.25Å; Q301-I303 PolarHBondContact O-N 2.83Å
304Q94.2Very high96Very high91 Ų9141.3 Ų41.343%0.42521%0.21SC..Hα-helixtrans-81.6-28.2178.7-63177.93700112.8P279 Q301 K302P279-Q304 HydrophobicContact CB-CB 3.69Å; Q301-Q304 PolarHBondContact O-N 3.31Å; Q301-Q304 VanDerWaalsContact O-N 3.12Å; K302-Q304 PolarHBondContact O-N 3.07Å
305C96.2Very high95.9Very high0 Ų043.3 Ų43.30%022%0.224CC..  trans-138.795.3-179.8-174.70000111.6P279 E283 Q301 K302 K307 I308P279-C305 HydrophobicContact CB-CB 4.03Å; P279-C305 WeakPolarHBondContact O-CB 3.41Å; E283-C305 HydrophobicContact CB-CB 4.37Å; E283-C305 PolarHBondContact OE2-SG 3.12Å; Q301-C305 PolarHBondContact O-N 3.44Å; K302-C305 CarbonylContact O-C 3.47Å; K302-C305 VanDerWaalsContact O-C 3.23Å; K302-C305 PolarHBondContact O-N 3.18Å; C305-K307 PolarHBondContact O-N 3.03Å; C305-K307 VanDerWaalsContact O-N 3.1Å; C305-I308 HydrophobicContact CB-CD1 3.95Å; C305-I308 HydrophobicContact CB-CG1 4.21Å; C305-I308 PolarHBondContact O-N 3.13Å
306P96.1Very high95.8Very high75 Ų7543.4 Ų43.449%0.48722%0.224SC..THydrogen-bonded Turntrans-63.5-13.1178.2-25.136000114.7E283 I308 K309E283-P306 WeakPolarHBondContact OE2-CD 3.14Å; P306-I308 PolarHBondContact O-N 2.72Å; P306-K309 PolarHBondContact O-NZ 2.79Å
307K97.4Very high95.8Very high36 Ų3643.4 Ų43.416%0.15722%0.224CC..THydrogen-bonded Turntrans-65.6-22.9174.9-57.7177.2-177.4-179.90112.9L282 E283 S285 I287 I290 C305 K309L282-K307 PolarHBondContact O-NZ 3.31Å; E283-K307 VanDerWaalsContact O-CE 3.3Å; E283-K307 WeakPolarHBondContact O-CE 3.23Å; E283-K307 PolarHBondContact O-NZ 3.46Å; S285-K307 PolarHBondContact O-NZ 3.16Å; I287-K307 WeakPolarHBondContact O-CD 3.39Å; I287-K307 WeakPolarHBondContact O-CE 3.29Å; I287-K307 PolarHBondContact O-NZ 3.19Å; I290-K307 PolarHBondContact N-O 2.72Å; C305-K307 PolarHBondContact O-N 3.03Å; C305-K307 VanDerWaalsContact O-N 3.1Å; K307-K309 PolarHBondContact O-N 3.22Å
308I98.1Very high95.7Very high5 Ų541.7 Ų41.73%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-74117.4178.2-57.7170.8000109.9F274 I290 V292 Q301 K302 C305 P306F274-I308 HydrophobicContact CD2-CD1 4.06Å; F274-I308 HydrophobicContact CE1-CD1 4.38Å; F274-I308 HydrophobicContact CE2-CD1 3.84Å; F274-I308 HydrophobicContact CE2-CG1 4.37Å; F274-I308 HydrophobicContact CE2-CG2 3.88Å; F274-I308 HydrophobicContact CG-CD1 4.4Å; F274-I308 HydrophobicContact CZ-CD1 4.01Å; F274-I308 HydrophobicContact CZ-CG1 4.22Å; F274-I308 HydrophobicContact CZ-CG2 4.19Å; I290-I308 HydrophobicContact CB-CG1 4.42Å; I290-I308 HydrophobicContact CD1-CG1 4.22Å; I290-I308 CarbonylContact O-C 3.56Å; V292-I308 HydrophobicContact CG2-CG2 3.81Å; Q301-I308 HydrophobicContact CB-CD1 4.27Å; K302-I308 HydrophobicContact CG-CB 4.13Å; K302-I308 HydrophobicContact CG-CG2 4.04Å; C305-I308 HydrophobicContact CB-CD1 3.95Å; C305-I308 HydrophobicContact CB-CG1 4.21Å; C305-I308 PolarHBondContact O-N 3.13Å; P306-I308 PolarHBondContact O-N 2.72Å
309K97.5Very high95.7Very high90 Ų9044.6 Ų44.639%0.39123%0.227SC..EExtended strand (participates in β ladder)trans-114.8140.7174-47.2-58-177.9-1640110.2I290 F291 V292 P306 K307I290-K309 PolarHBondContact O-N 3.19Å; F291-K309 WeakPolarHBondContact CA-O 3.47Å; F291-K309 HydrophobicContact CD1-CB 3.81Å; F291-K309 HydrophobicContact CD1-CG 4.05Å; F291-K309 HydrophobicContact CE1-CB 4.14Å; F291-K309 HydrophobicContact CE1-CG 3.94Å; V292-K309 PolarHBondContact N-O 2.68Å; P306-K309 PolarHBondContact O-NZ 2.79Å; K307-K309 PolarHBondContact O-N 3.22Å
310T97.9Very high95.8Very high38 Ų3840.9 Ų40.923%0.23321%0.209CC..EExtended strand (participates in β ladder)trans-98.8135.5-178.1-55.90000111.8V292 N294 H298 K302V292-T310 CarbonylContact O-C 3.48Å; V292-T310 VanDerWaalsContact O-CA 3.24Å; V292-T310 WeakPolarHBondContact O-CA 3.48Å; N294-T310 HydrophobicContact CB-CG2 3.64Å; H298-T310 PolarHBondContact NE2-OG1 3.2Å; K302-T310 WeakPolarHBondContact CE-OG1 3.45Å; K302-T310 PolarHBondContact NZ-OG1 3.05Å
311I98.1Very high96Very high5 Ų534.6 Ų34.63%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-100.4118.7167-57170.5000107.1C154 I155 H158 F291 V292 T293 N294 I313C154-I311 HydrophobicContact CB-CG2 3.73Å; I155-I311 HydrophobicContact CB-CD1 4.46Å; I155-I311 HydrophobicContact CG1-CD1 3.92Å; H158-I311 HydrophobicContact CB-CD1 4.03Å; H158-I311 HydrophobicContact CB-CG1 3.97Å; H158-I311 HydrophobicContact CB-CG2 4.44Å; F291-I311 HydrophobicContact CB-CD1 3.89Å; F291-I311 HydrophobicContact CB-CG1 4.43Å; V292-I311 PolarHBondContact O-N 3.5Å; T293-I311 WeakPolarHBondContact CA-O 3.38Å; T293-I311 HydrophobicContact CG2-CB 4.31Å; N294-I311 PolarHBondContact N-O 3.5Å; N294-I311 VanDerWaalsContact N-O 3.13Å; N294-I311 PolarHBondContact OD1-O 2.74Å; I311-I313 PolarHBondContact O-N 3Å
312D97.1Very high95.9Very high58 Ų5837.1 Ų37.131%0.3119%0.188SC..PPolyproline II helixtrans-74.1121.6175.9-176.722.6000110.6N294 S314N294-D312 PolarHBondContact ND2-OD1 2.92Å; N294-D312 WeakPolarHBondContact OD1-CA 3.37Å; N294-D312 PolarHBondContact OD1-OD1 3.3Å; D312-S314 VanDerWaalsContact CG-OG 3.24Å; D312-S314 WeakPolarHBondContact OD1-CB 3.29Å; D312-S314 PolarHBondContact OD1-N 2.91Å; D312-S314 PolarHBondContact OD1-OG 3.27Å; D312-S314 VanDerWaalsContact OD1-OG 3.11Å; D312-S314 PolarHBondContact OD2-OG 2.7Å
313I96.6Very high95.9Very high0 Ų036.1 Ų36.10%018%0.182CC..  trans-101.73.7174.655.249.3000113L20 L131 A151 C154 T293 N294 T295 I311 P315 I316 L317L20-I313 HydrophobicContact CD1-CD1 3.43Å; L20-I313 VanDerWaalsContact CD1-CD1 3.43Å; L20-I313 HydrophobicContact CD2-CD1 4.12Å; L20-I313 HydrophobicContact CG-CD1 4.42Å; L131-I313 HydrophobicContact CD1-CB 3.93Å; L131-I313 HydrophobicContact CD1-CG1 3.97Å; L131-I313 HydrophobicContact CD1-CG2 4.15Å; A151-I313 HydrophobicContact CB-CG2 4.08Å; C154-I313 HydrophobicContact CB-CG2 4.49Å; T293-I313 HydrophobicContact CG2-CG2 3.54Å; N294-I313 VanDerWaalsContact OD1-CD1 3.26Å; N294-I313 WeakPolarHBondContact OD1-CD1 3.23Å; N294-I313 WeakPolarHBondContact OD1-CG1 3.36Å; N294-I313 PolarHBondContact OD1-N 3.31Å; T295-I313 HydrophobicContact CG2-CG1 3.96Å; I311-I313 PolarHBondContact O-N 3Å; I313-P315 VanDerWaalsContact C-N 3.27Å; I313-I316 WeakPolarHBondContact O-CB 3.2Å; I313-I316 PolarHBondContact O-N 3.26Å; I313-L317 HydrophobicContact CD1-CD1 3.4Å; I313-L317 VanDerWaalsContact CD1-CD1 3.4Å; I313-L317 HydrophobicContact CD1-CG 4.02Å; I313-L317 PolarHBondContact O-N 3.47Å; I313-L317 VanDerWaalsContact O-N 3.12Å
314S96.7Very high95.9Very high0 Ų030.1 Ų30.10%015%0.153CC..Hα-helixtrans-53.3-37177.276.90000113.6Q27 D312 I316 L317 S318Q27-S314 PolarHBondContact NE2-OG 2.96Å; D312-S314 VanDerWaalsContact CG-OG 3.24Å; D312-S314 WeakPolarHBondContact OD1-CB 3.29Å; D312-S314 PolarHBondContact OD1-N 2.91Å; D312-S314 PolarHBondContact OD1-OG 3.27Å; D312-S314 VanDerWaalsContact OD1-OG 3.11Å; D312-S314 PolarHBondContact OD2-OG 2.7Å; S314-I316 VanDerWaalsContact C-N 3.31Å; S314-I316 PolarHBondContact O-N 2.91Å; S314-L317 PolarHBondContact O-N 2.95Å; S314-S318 VanDerWaalsContact O-CB 3.3Å; S314-S318 WeakPolarHBondContact O-CB 3.38Å; S314-S318 PolarHBondContact O-N 3.13Å; S314-S318 PolarHBondContact O-OG 3.25Å; S314-S318 VanDerWaalsContact O-OG 3.06Å
315P94.8Very high95.8Very high54 Ų5426.3 Ų26.335%0.35114%0.135SC..Hα-helixtrans-64-33.2175.1-20.535.6000114.3I313 S318 E319I313-P315 VanDerWaalsContact C-N 3.27Å; P315-S318 WeakPolarHBondContact CA-OG 3.45Å; P315-S318 PolarHBondContact O-OG 2.96Å; P315-S318 VanDerWaalsContact O-OG 3.13Å; P315-E319 WeakPolarHBondContact O-CB 3.31Å; P315-E319 PolarHBondContact O-N 2.76Å
316I94.9Very high95.6Very high3 Ų328.5 Ų28.52%0.01515%0.147CC..Hα-helixtrans-71.4-45.3177.8-70.6178.4000110.5L131 V149 C154 I313 S314 A320 F333L131-I316 HydrophobicContact CD1-CG2 4.46Å; V149-I316 HydrophobicContact CB-CG2 4.27Å; V149-I316 HydrophobicContact CG1-CG2 3.28Å; C154-I316 HydrophobicContact CB-CD1 3.9Å; C154-I316 WeakPolarHBondContact SG-CD1 3.3Å; I313-I316 WeakPolarHBondContact O-CB 3.2Å; I313-I316 PolarHBondContact O-N 3.26Å; S314-I316 VanDerWaalsContact C-N 3.31Å; S314-I316 PolarHBondContact O-N 2.91Å; I316-A320 WeakPolarHBondContact O-CB 3.02Å; I316-A320 PolarHBondContact O-N 3.28Å; I316-F333 HydrophobicContact CB-CE1 4.14Å; I316-F333 HydrophobicContact CB-CZ 4Å; I316-F333 HydrophobicContact CG1-CE1 3.98Å; I316-F333 HydrophobicContact CG1-CZ 3.81Å; I316-F333 HydrophobicContact CG2-CE1 3.65Å; I316-F333 HydrophobicContact CG2-CZ 3.99Å
317L96.4Very high95.1Very high1 Ų131.3 Ų31.31%0.00515%0.153CC..Hα-helixtrans-73.2-38.6-177.2-65.4179.2000112.6L20 I24 V93 P95 L131 I313 S314 A320 I321L20-L317 HydrophobicContact CD2-CD1 4.25Å; I24-L317 HydrophobicContact CD1-CB 3.9Å; I24-L317 HydrophobicContact CD1-CD1 3.72Å; I24-L317 HydrophobicContact CG1-CB 4.15Å; V93-L317 HydrophobicContact CG1-CD2 4.35Å; P95-L317 HydrophobicContact CB-CD1 4.12Å; P95-L317 HydrophobicContact CG-CD1 3.46Å; P95-L317 VanDerWaalsContact CG-CD1 3.46Å; P95-L317 HydrophobicContact CG-CD2 4.47Å; L131-L317 HydrophobicContact CD1-CD2 4.19Å; I313-L317 HydrophobicContact CD1-CD1 3.4Å; I313-L317 VanDerWaalsContact CD1-CD1 3.4Å; I313-L317 HydrophobicContact CD1-CG 4.02Å; I313-L317 PolarHBondContact O-N 3.47Å; I313-L317 VanDerWaalsContact O-N 3.12Å; S314-L317 PolarHBondContact O-N 2.95Å; L317-A320 PolarHBondContact O-N 3.45Å; L317-I321 VanDerWaalsContact O-CG1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 2.98Å
318S95.5Very high94.8Very high4 Ų433.4 Ų33.43%0.02816%0.163CC..Hα-helixtrans-61.4-45.617664.60000110.8Q27 L28 S314 P315 I321 R322Q27-S318 PolarHBondContact OE1-OG 3.44Å; L28-S318 WeakPolarHBondContact CD2-O 3.24Å; S314-S318 VanDerWaalsContact O-CB 3.3Å; S314-S318 WeakPolarHBondContact O-CB 3.38Å; S314-S318 PolarHBondContact O-N 3.13Å; S314-S318 PolarHBondContact O-OG 3.25Å; S314-S318 VanDerWaalsContact O-OG 3.06Å; P315-S318 WeakPolarHBondContact CA-OG 3.45Å; P315-S318 PolarHBondContact O-OG 2.96Å; P315-S318 VanDerWaalsContact O-OG 3.13Å; S318-I321 PolarHBondContact O-N 2.91Å; S318-R322 WeakPolarHBondContact O-CB 3.41Å; S318-R322 PolarHBondContact O-N 3.04Å
319E93.9Very high94.2Very high63 Ų6336.5 Ų36.529%0.29419%0.186SC..Hα-helixtrans-65.3-39.2174.8-82.7-61.6121.800112.4P315 I321 R322 R323 F333P315-E319 WeakPolarHBondContact O-CB 3.31Å; P315-E319 PolarHBondContact O-N 2.76Å; E319-I321 VanDerWaalsContact C-N 3.34Å; E319-I321 PolarHBondContact O-N 2.86Å; E319-R322 PolarHBondContact O-N 2.93Å; E319-R322 IonicContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 2.68Å; E319-R322 PolarHBondContact OE1-NE 3.49Å; E319-R322 IonicContact OE2-CZ 3.18Å; E319-R322 IonicContact OE2-NE 2.6Å; E319-R322 PolarHBondContact OE2-NE 2.92Å; E319-R322 VanDerWaalsContact OE2-NE 3.09Å; E319-R322 IonicContact OE2-NH2 3.84Å; E319-R322 PolarHBondContact OE2-NH2 2.93Å; E319-R323 WeakPolarHBondContact O-CB 3.25Å; E319-R323 VanDerWaalsContact O-CG 3.32Å; E319-R323 WeakPolarHBondContact O-CG 3.43Å; E319-R323 PolarHBondContact O-N 2.83Å; E319-R323 IonicContact OE2-NE 3.55Å; E319-F333 HydrophobicContact CB-CD2 4.15Å; E319-F333 HydrophobicContact CB-CE2 3.54Å; E319-F333 HydrophobicContact CB-CZ 4.33Å; E319-F333 HydrophobicContact CG-CE2 4.15Å
320A95.3Very high93.4Very high0 Ų033.5 Ų33.50%017%0.174CC..Hα-helixtrans-61.6-42.3175.500000112.1I129 V149 I316 L317 T324 L330I129-A320 HydrophobicContact CD1-CB 4.49Å; I129-A320 HydrophobicContact CG2-CB 4.29Å; V149-A320 HydrophobicContact CG2-CB 3.98Å; I316-A320 WeakPolarHBondContact O-CB 3.02Å; I316-A320 PolarHBondContact O-N 3.28Å; L317-A320 PolarHBondContact O-N 3.45Å; A320-T324 VanDerWaalsContact O-CB 3.25Å; A320-T324 WeakPolarHBondContact O-CB 3.41Å; A320-T324 PolarHBondContact O-N 3.36Å; A320-T324 PolarHBondContact O-OG1 2.94Å; A320-L330 HydrophobicContact CB-CD2 4.07Å
321I95.9Very high91.9Very high0 Ų035.4 Ų35.40%019%0.189CC..Hα-helixtrans-62.5-50174.3-70.1164.8000110.3M9 I24 L28 F59 I61 V93 L317 S318 E319 R323 T324 F325M9-I321 HydrophobicContact SD-CG2 4.05Å; I24-I321 HydrophobicContact CG2-CD1 3.76Å; L28-I321 HydrophobicContact CD1-CB 4.39Å; L28-I321 HydrophobicContact CD1-CD1 4.13Å; L28-I321 HydrophobicContact CD1-CG2 3.9Å; L28-I321 HydrophobicContact CD2-CB 4.43Å; L28-I321 HydrophobicContact CD2-CG2 4.17Å; F59-I321 HydrophobicContact CD1-CB 4.33Å; F59-I321 HydrophobicContact CD1-CG1 4.01Å; F59-I321 HydrophobicContact CD1-CG2 3.8Å; F59-I321 HydrophobicContact CD2-CG2 4.1Å; F59-I321 HydrophobicContact CE1-CB 4.36Å; F59-I321 HydrophobicContact CE1-CG1 4.42Å; F59-I321 HydrophobicContact CE1-CG2 3.9Å; F59-I321 HydrophobicContact CE2-CG2 4.2Å; F59-I321 HydrophobicContact CG-CG2 3.9Å; F59-I321 HydrophobicContact CZ-CG2 4.11Å; I61-I321 HydrophobicContact CD1-CD1 4.38Å; V93-I321 HydrophobicContact CG1-CD1 4.45Å; V93-I321 HydrophobicContact CG2-CD1 3.99Å; V93-I321 HydrophobicContact CG2-CG1 3.83Å; L317-I321 VanDerWaalsContact O-CG1 3.28Å; L317-I321 WeakPolarHBondContact O-CG1 3.32Å; L317-I321 PolarHBondContact O-N 2.98Å; S318-I321 PolarHBondContact O-N 2.91Å; E319-I321 VanDerWaalsContact C-N 3.34Å; E319-I321 PolarHBondContact O-N 2.86Å; I321-R323 PolarHBondContact O-N 2.87Å; I321-T324 PolarHBondContact O-N 2.84Å; I321-F325 WeakPolarHBondContact O-CB 3.26Å; I321-F325 PolarHBondContact O-N 3.31Å
322R93.9Very high89.7Confident65 Ų6542.9 Ų42.925%0.24522%0.217CC..Hα-helixtrans-58-48.3-179.6-170.3-165.965.965.7-0.6111.5L28 S318 E319 F325 N326 E328L28-R322 HydrophobicContact CD2-CB 4.33Å; S318-R322 WeakPolarHBondContact O-CB 3.41Å; S318-R322 PolarHBondContact O-N 3.04Å; E319-R322 PolarHBondContact O-N 2.93Å; E319-R322 IonicContact OE1-CZ 3.29Å; E319-R322 IonicContact OE1-NE 2.68Å; E319-R322 PolarHBondContact OE1-NE 3.49Å; E319-R322 IonicContact OE2-CZ 3.18Å; E319-R322 IonicContact OE2-NE 2.6Å; E319-R322 PolarHBondContact OE2-NE 2.92Å; E319-R322 VanDerWaalsContact OE2-NE 3.09Å; E319-R322 IonicContact OE2-NH2 3.84Å; E319-R322 PolarHBondContact OE2-NH2 2.93Å; R322-F325 PolarHBondContact O-N 2.98Å; R322-N326 PolarHBondContact NH1-ND2 3.46Å; R322-N326 VanDerWaalsContact NH1-ND2 3.17Å; R322-N326 WeakPolarHBondContact O-CB 3.47Å; R322-N326 PolarHBondContact O-N 3.29Å; R322-E328 IonicContact CZ-OE2 2.98Å; R322-E328 IonicContact NH1-OE1 2.96Å; R322-E328 PolarHBondContact NH1-OE1 3.15Å; R322-E328 VanDerWaalsContact NH1-OE1 3.1Å; R322-E328 IonicContact NH1-OE2 3.95Å; R322-E328 PolarHBondContact NH1-OE2 3.02Å; R322-E328 IonicContact NH2-OE2 3.97Å; R322-E328 PolarHBondContact NH2-OE2 3.32Å
323R92.9Very high87.7Confident25 Ų2541.1 Ų41.19%0.09421%0.206CC..Hα-helixtrans-63.2-44.6178.1-73.5-174.5179.3-143.63.7111.2E319 I321 F325 N326 Q327 E328 S329 L330 E336E319-R323 WeakPolarHBondContact O-CB 3.25Å; E319-R323 VanDerWaalsContact O-CG 3.32Å; E319-R323 WeakPolarHBondContact O-CG 3.43Å; E319-R323 PolarHBondContact O-N 2.83Å; E319-R323 IonicContact OE2-NE 3.55Å; I321-R323 PolarHBondContact O-N 2.87Å; R323-F325 PolarHBondContact O-N 3.5Å; R323-N326 CarbonylContact O-C 3.53Å; R323-N326 PolarHBondContact O-N 3.41Å; R323-Q327 PolarHBondContact O-N 2.67Å; R323-E328 HydrophobicContact CB-CB 3.96Å; R323-E328 HydrophobicContact CG-CB 4.13Å; R323-E328 PolarHBondContact O-N 2.92Å; R323-S329 PolarHBondContact NH1-O 3.1Å; R323-S329 VanDerWaalsContact NH1-O 3.09Å; R323-L330 HydrophobicContact CB-CD2 3.75Å; R323-L330 HydrophobicContact CG-CD2 4.44Å; R323-E336 IonicContact CZ-OE2 2.7Å; R323-E336 IonicContact NH2-OE2 3.59Å; R323-E336 PolarHBondContact NH2-OE2 2.95Å
324T93.8Very high85.5Confident19 Ų1943.3 Ų43.312%0.11722%0.218CC..Hα-helixtrans-60.4-45.5178-61.40000111.9F59 T91 I129 A320 I321 N326 Q327F59-T324 HydrophobicContact CE1-CG2 3.97Å; F59-T324 HydrophobicContact CZ-CG2 4.19Å; T91-T324 HydrophobicContact CG2-CG2 4.49Å; I129-T324 HydrophobicContact CD1-CG2 4.49Å; A320-T324 VanDerWaalsContact O-CB 3.25Å; A320-T324 WeakPolarHBondContact O-CB 3.41Å; A320-T324 PolarHBondContact O-N 3.36Å; A320-T324 PolarHBondContact O-OG1 2.94Å; I321-T324 PolarHBondContact O-N 2.84Å; T324-N326 VanDerWaalsContact C-N 3.34Å; T324-N326 PolarHBondContact O-N 3.28Å; T324-Q327 PolarHBondContact O-N 3.47Å; T324-Q327 VanDerWaalsContact O-N 3.13Å
325F93Very high83.1Confident11 Ų1145.2 Ų45.25%0.04823%0.231CC..Hα-helixtrans-63.6-39.7177.2179.8-107.9000112.3R7 M9 E57 F59 I321 R322 R323 Q327R7-F325 HydrophobicContact CB-CE2 4.22Å; R7-F325 HydrophobicContact CB-CZ 3.82Å; M9-F325 HydrophobicContact CB-CD1 4.42Å; M9-F325 HydrophobicContact CB-CD2 3.85Å; M9-F325 HydrophobicContact CB-CE1 4.16Å; M9-F325 HydrophobicContact CB-CE2 3.56Å; M9-F325 HydrophobicContact CB-CG 4.26Å; M9-F325 HydrophobicContact CB-CZ 3.72Å; M9-F325 HydrophobicContact CG-CD2 4.18Å; M9-F325 HydrophobicContact CG-CE2 4.38Å; M9-F325 HydrophobicContact CG-CG 4.44Å; M9-F325 HydrophobicContact SD-CB 3.97Å; M9-F325 HydrophobicContact SD-CD1 4.19Å; M9-F325 HydrophobicContact SD-CD2 4.15Å; M9-F325 HydrophobicContact SD-CG 3.82Å; E57-F325 HydrophobicContact CB-CD2 4.1Å; E57-F325 HydrophobicContact CB-CE2 4.05Å; E57-F325 HydrophobicContact CG-CE2 4.35Å; F59-F325 HydrophobicContact CE2-CB 4.01Å; F59-F325 HydrophobicContact CE2-CD2 4.13Å; F59-F325 HydrophobicContact CE2-CG 4.47Å; F59-F325 HydrophobicContact CZ-CB 3.89Å; I321-F325 WeakPolarHBondContact O-CB 3.26Å; I321-F325 PolarHBondContact O-N 3.31Å; R322-F325 PolarHBondContact O-N 2.98Å; R323-F325 PolarHBondContact O-N 3.5Å; F325-Q327 PolarHBondContact O-N 2.98Å
326N91.3Very high80.4Confident47 Ų4748.2 Ų48.225%0.25124%0.241SC..THydrogen-bonded Turntrans-79.3-1.2176.1-70.6-13.5000113.8R322 R323 T324 E328R322-N326 PolarHBondContact NH1-ND2 3.46Å; R322-N326 VanDerWaalsContact NH1-ND2 3.17Å; R322-N326 WeakPolarHBondContact O-CB 3.47Å; R322-N326 PolarHBondContact O-N 3.29Å; R323-N326 CarbonylContact O-C 3.53Å; R323-N326 PolarHBondContact O-N 3.41Å; T324-N326 VanDerWaalsContact C-N 3.34Å; T324-N326 PolarHBondContact O-N 3.28Å; N326-E328 HydrophobicContact CB-CG 3.84Å; N326-E328 WeakPolarHBondContact CB-OE1 3.23Å; N326-E328 PolarHBondContact ND2-OE1 3.47Å; N326-E328 PolarHBondContact O-N 2.73Å
327Q87.3Confident77.7Confident134 Ų13451.8 Ų51.863%0.62626%0.263SS*.THydrogen-bonded Turntrans59.731.3-175.9-52.9175.25.500113.1R323 T324 F325R323-Q327 PolarHBondContact O-N 2.67Å; T324-Q327 PolarHBondContact O-N 3.47Å; T324-Q327 VanDerWaalsContact O-N 3.13Å; F325-Q327 PolarHBondContact O-N 2.98Å
328E90.3Very high74.5Confident79 Ų7954.7 Ų54.737%0.36929%0.293SS..  trans-85.6151.4174.8-65.3165.8-150.400110.6R322 R323 N326R322-E328 IonicContact CZ-OE2 2.98Å; R322-E328 IonicContact NH1-OE1 2.96Å; R322-E328 PolarHBondContact NH1-OE1 3.15Å; R322-E328 VanDerWaalsContact NH1-OE1 3.1Å; R322-E328 IonicContact NH1-OE2 3.95Å; R322-E328 PolarHBondContact NH1-OE2 3.02Å; R322-E328 IonicContact NH2-OE2 3.97Å; R322-E328 PolarHBondContact NH2-OE2 3.32Å; R323-E328 HydrophobicContact CB-CB 3.96Å; R323-E328 HydrophobicContact CG-CB 4.13Å; R323-E328 PolarHBondContact O-N 2.92Å; N326-E328 HydrophobicContact CB-CG 3.84Å; N326-E328 WeakPolarHBondContact CB-OE1 3.23Å; N326-E328 PolarHBondContact ND2-OE1 3.47Å; N326-E328 PolarHBondContact O-N 2.73Å
329S85.1Confident71.6Confident71 Ų7156.4 Ų56.450%0.49731%0.307SS..  trans-70.8138.1175.9-176.80000112.2R323 S331R323-S329 PolarHBondContact NH1-O 3.1Å; R323-S329 VanDerWaalsContact NH1-O 3.09Å; S329-S331 VanDerWaalsContact C-N 3.34Å; S329-S331 WeakPolarHBondContact OG-CB 3.37Å; S329-S331 PolarHBondContact OG-N 2.67Å; S329-S331 PolarHBondContact OG-OG 2.94Å
330L81.7Confident68.4Low26 Ų2659.5 Ų59.514%0.13634%0.335CS..SBendtrans-82.7-8.7169.2-62.5172.6000112.8D147 A320 R323 R332 F333D147-L330 HydrophobicContact CB-CD1 3.4Å; D147-L330 VanDerWaalsContact CG-CD1 3.49Å; A320-L330 HydrophobicContact CB-CD2 4.07Å; R323-L330 HydrophobicContact CB-CD2 3.75Å; R323-L330 HydrophobicContact CG-CD2 4.44Å; L330-R332 PolarHBondContact O-N 3.3Å; L330-F333 WeakPolarHBondContact O-CB 3.35Å; L330-F333 PolarHBondContact O-N 3.1Å; L330-F333 VanDerWaalsContact O-N 3.14Å
331S66.5Low65.2Low79 Ų7970.3 Ų70.355%0.55239%0.392SS*.THydrogen-bonded Turntrans-62.5-44.7-17861.40000112.6S329 F333 N334S329-S331 VanDerWaalsContact C-N 3.34Å; S329-S331 WeakPolarHBondContact OG-CB 3.37Å; S329-S331 PolarHBondContact OG-N 2.67Å; S329-S331 PolarHBondContact OG-OG 2.94Å; S331-F333 PolarHBondContact O-N 3.31Å; S331-N334 PolarHBondContact O-N 3.43Å
332R51.9Low63.6Low162 Ų16273.8 Ų73.861%0.61141%0.412SS*.THydrogen-bonded Turntrans-64.4-21.3177.2-68.3-171.4-177.8-177.30.4113.2L330 N334 S335 E336L330-R332 PolarHBondContact O-N 3.3Å; R332-N334 VanDerWaalsContact C-N 3.33Å; R332-N334 PolarHBondContact O-N 3.29Å; R332-S335 WeakPolarHBondContact CA-OG 3.45Å; R332-S335 PolarHBondContact O-N 3.26Å; R332-S335 PolarHBondContact O-OG 3.34Å; R332-E336 HydrophobicContact CB-CG 4.34Å; R332-E336 WeakPolarHBondContact O-CB 3.2Å; R332-E336 WeakPolarHBondContact O-CG 3.43Å; R332-E336 PolarHBondContact O-N 3.15Å
333F53.6Low62Low20 Ų2074.3 Ų74.39%0.08842%0.421CS..Hα-helixtrans-66.5-37.2179.8-173.8-94.8000111.8V149 I316 E319 L330 S331 S335V149-F333 HydrophobicContact CG1-CD1 4Å; V149-F333 HydrophobicContact CG1-CE1 3.93Å; I316-F333 HydrophobicContact CB-CE1 4.14Å; I316-F333 HydrophobicContact CB-CZ 4Å; I316-F333 HydrophobicContact CG1-CE1 3.98Å; I316-F333 HydrophobicContact CG1-CZ 3.81Å; I316-F333 HydrophobicContact CG2-CE1 3.65Å; I316-F333 HydrophobicContact CG2-CZ 3.99Å; E319-F333 HydrophobicContact CB-CD2 4.15Å; E319-F333 HydrophobicContact CB-CE2 3.54Å; E319-F333 HydrophobicContact CB-CZ 4.33Å; E319-F333 HydrophobicContact CG-CE2 4.15Å; L330-F333 WeakPolarHBondContact O-CB 3.35Å; L330-F333 PolarHBondContact O-N 3.1Å; L330-F333 VanDerWaalsContact O-N 3.14Å; S331-F333 PolarHBondContact O-N 3.31Å; F333-S335 PolarHBondContact O-N 2.85Å
334N49.9Very low60.3Low46 Ų4677 Ų7725%0.24644%0.439CS..Hα-helixtrans-72.7-17177.2-67.4-38.6000112.6S331 R332S331-N334 PolarHBondContact O-N 3.43Å; R332-N334 VanDerWaalsContact C-N 3.33Å; R332-N334 PolarHBondContact O-N 3.29Å
335S46.6Very low58.4Low40 Ų4080.4 Ų80.428%0.2846%0.458SS..Hα-helixtrans-105.3-36.2-174.867.80000115.1R332 F333 T337 G338 A339R332-S335 WeakPolarHBondContact CA-OG 3.45Å; R332-S335 PolarHBondContact O-N 3.26Å; R332-S335 PolarHBondContact O-OG 3.34Å; F333-S335 PolarHBondContact O-N 2.85Å; S335-T337 VanDerWaalsContact C-N 3.26Å; S335-T337 PolarHBondContact O-N 2.69Å; S335-G338 PolarHBondContact O-N 2.84Å; S335-G338 VanDerWaalsContact O-N 3.15Å; S335-A339 VanDerWaalsContact O-CB 3.28Å; S335-A339 WeakPolarHBondContact O-CB 3.44Å; S335-A339 PolarHBondContact O-N 2.94Å
336E37.8Very low56.2Low117 Ų11784.8 Ų84.855%0.54748%0.483SS..Hα-helixtrans-72.3-14.4-171.2-76.7168.7169.500114.2R323 R332 G338R323-E336 IonicContact CZ-OE2 2.7Å; R323-E336 IonicContact NH2-OE2 3.59Å; R323-E336 PolarHBondContact NH2-OE2 2.95Å; R332-E336 HydrophobicContact CB-CG 4.34Å; R332-E336 WeakPolarHBondContact O-CB 3.2Å; R332-E336 WeakPolarHBondContact O-CG 3.43Å; R332-E336 PolarHBondContact O-N 3.15Å; E336-G338 PolarHBondContact O-N 3.07Å
337T39.6Very low53.9Low79 Ų7987.3 Ų87.349%0.48550%0.499SS..THydrogen-bonded Turntrans-83.924169.766.30000113.4S153 S335S153-T337 WeakPolarHBondContact CB-OG1 3.29Å; S335-T337 VanDerWaalsContact C-N 3.26Å; S335-T337 PolarHBondContact O-N 2.69Å
338G28.9Very low51.5Low62 Ų6283.9 Ų83.964%0.63949%0.49SS*.THydrogen-bonded Turntrans108.242.217400000115.7S335 E336S335-G338 PolarHBondContact O-N 2.84Å; S335-G338 VanDerWaalsContact O-N 3.15Å; E336-G338 PolarHBondContact O-N 3.07Å
339A35.1Very low48.5Very low40 Ų4084.3 Ų84.333%0.33150%0.499SS..  trans-84.3122.6166.300000111.2S335S335-A339 VanDerWaalsContact O-CB 3.28Å; S335-A339 WeakPolarHBondContact O-CB 3.44Å; S335-A339 PolarHBondContact O-N 2.94Å
340C25.9Very low45.4Very low128 Ų12885.4 Ų85.487%0.86550%0.499SS*.  trans-79131.2136.3-61.40000106.7
341D27.6Very low42.1Very low226 Ų22690.8 Ų90.8100%1.20953%0.532SS*.  trans-62.50153.6-75.7-35000110.3

Retrieved 341 of 341 residues in 585.4 ms (Link to these results)

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