A0A2Y9T3H8_PHYMC Loading...

Ras-related protein Rab-22A isoform X2

AlphaFold DB , UniProt , Accession A0A2Y9T3H8, Species PHYMC (Physeter macrocephalus, Sperm whale), Gene RAB22A, Length 194 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
1M71.1Confident93.4Very high153 Ų15347.8 Ų47.875%0.75425%0.248SC*.  0130.30-69.8-178-90.200107.4Q48 L53M1-Q48 HydrophobicContact SD-CG 4.43Å; M1-L53 HydrophobicContact CB-CD1 4.47Å; M1-L53 HydrophobicContact CB-CG 4.14Å; M1-L53 HydrophobicContact SD-CD2 4.46Å
2A87.4Confident93.8Very high64 Ų6443.9 Ų43.953%0.52923%0.228SC..EExtended strand (participates in β ladder)trans-68.9141.417900000110E52 L53A2-E52 HydrophobicContact CB-CG 4.47Å; A2-L53 PolarHBondContact O-N 2.89Å
3L92.2Very high94Very high106 Ų10642.9 Ų42.956%0.55522%0.224SC*.EExtended strand (participates in β ladder)trans-98.4128175.1-179.269.9000109.2T46 L53 K55L3-T46 HydrophobicContact CD1-CG2 4.44Å; L3-L53 WeakPolarHBondContact CA-O 3.31Å; L3-L53 HydrophobicContact CD1-CB 3.83Å; L3-K55 HydrophobicContact CD1-CB 3.91Å
4R93.3Very high94.1Very high45 Ų4544.4 Ų44.417%0.1724%0.236CC..EExtended strand (participates in β ladder)trans-122.9122.7179.6-169.2177.9-176.3-174.86.7110.4L6 L53 H54 K55 I166 P167R4-L6 HydrophobicContact CG-CD2 3.9Å; R4-L53 PolarHBondContact N-O 3.28Å; R4-H54 CarbonylContact O-C 3.52Å; R4-H54 WeakPolarHBondContact O-CA 3.46Å; R4-K55 PolarHBondContact O-N 2.95Å; R4-I166 PolarHBondContact NH1-O 3.47Å; R4-P167 PolarHBondContact NH1-O 3.28Å; R4-P167 PolarHBondContact NH2-O 3.22Å
5E95.9Very high94.2Very high109 Ų10944.8 Ų44.851%0.50925%0.254SS..EExtended strand (participates in β ladder)trans-89.7124.2177.1-61.5-161.7143.900110.9K55 L57E5-K55 WeakPolarHBondContact CA-O 3.35Å; E5-K55 HydrophobicContact CG-CB 4.45Å; E5-K55 HydrophobicContact CG-CD 4.26Å; E5-K55 IonicContact OE1-NZ 3.39Å; E5-K55 PolarHBondContact OE1-NZ 3.06Å; E5-L57 HydrophobicContact CB-CD1 4.13Å; E5-L57 HydrophobicContact CB-CG 4.47Å
6L97.1Very high94.4Very high2 Ų242.1 Ų42.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-117.5102.2-177.8-57.2-177000109.1R4 V8 H54 K55 F56 L57 I166R4-L6 HydrophobicContact CG-CD2 3.9Å; L6-V8 PolarHBondContact O-N 2.97Å; L6-H54 HydrophobicContact CD1-CB 3.91Å; L6-K55 PolarHBondContact N-O 2.87Å; L6-F56 HydrophobicContact CB-CD1 4.05Å; L6-F56 HydrophobicContact CB-CE1 4.19Å; L6-F56 HydrophobicContact CD1-CD1 4.49Å; L6-F56 HydrophobicContact CD1-CE1 3.9Å; L6-F56 HydrophobicContact CD1-CZ 4.09Å; L6-F56 WeakPolarHBondContact O-CA 3.26Å; L6-L57 PolarHBondContact O-N 2.89Å; L6-I166 HydrophobicContact CD1-CD1 4Å; L6-I166 HydrophobicContact CD2-CD1 4.01Å; L6-I166 HydrophobicContact CD2-CG2 4.16Å; L6-I166 HydrophobicContact CG-CD1 4.43Å
7K97.8Very high94.7Very high47 Ų4740.3 Ų40.320%0.20423%0.232CC..EExtended strand (participates in β ladder)trans-72124172.1-177.1-179.3169.8-179.80110L57 Y74 R76 S78 A79 A80K7-L57 WeakPolarHBondContact CA-O 3.39Å; K7-Y74 WeakPolarHBondContact CE-O 3.33Å; K7-Y74 PolarHBondContact NZ-O 3.02Å; K7-Y74 VanDerWaalsContact NZ-O 3.09Å; K7-R76 PolarHBondContact NZ-O 3.01Å; K7-S78 WeakPolarHBondContact CE-OG 3.24Å; K7-S78 CarbonylContact O-C 3.58Å; K7-S78 WeakPolarHBondContact O-CA 3.25Å; K7-A79 PolarHBondContact O-N 2.8Å; K7-A80 PolarHBondContact O-N 2.61Å
8V98.3Very high94.9Very high0 Ų038.6 Ų38.60%022%0.221CC..EExtended strand (participates in β ladder)trans-128.4139178.3-178.60000109L6 F56 L57 I58 W59 A80 I82L6-V8 PolarHBondContact O-N 2.97Å; V8-F56 HydrophobicContact CG2-CD1 3.66Å; V8-F56 HydrophobicContact CG2-CE1 3.99Å; V8-L57 PolarHBondContact N-O 2.79Å; V8-I58 CarbonylContact O-C 3.53Å; V8-I58 WeakPolarHBondContact O-CA 3.46Å; V8-W59 PolarHBondContact O-N 3.06Å; V8-A80 WeakPolarHBondContact CA-O 3.36Å; V8-A80 HydrophobicContact CG1-CB 4.49Å; V8-A80 HydrophobicContact CG2-CB 4.15Å; V8-I82 HydrophobicContact CG1-CD1 3.81Å; V8-I82 HydrophobicContact CG1-CG1 3.9Å
9C98.1Very high95Very high0 Ų037.4 Ų37.40%022%0.216CC..EExtended strand (participates in β ladder)trans-119.9143.7171.158.20000110.7W59 Y75 A80 A81 I82C9-W59 CarbonylContact C-O 3.59Å; C9-W59 WeakPolarHBondContact CA-O 3.47Å; C9-W59 HydrophobicContact CB-CB 4.07Å; C9-Y75 VanDerWaalsContact SG-CB 3.53Å; C9-A80 PolarHBondContact N-O 2.88Å; C9-A81 CarbonylContact O-C 3.51Å; C9-A81 WeakPolarHBondContact O-CA 3.2Å; C9-I82 PolarHBondContact O-N 3.24Å
10L98.5Very high95.2Very high0 Ų036.3 Ų36.30%021%0.21CC..EExtended strand (participates in β ladder)trans-98.3132.3171.4-72.279.5000109.3K18 V22 I58 W59 T61 I82 V84L10-K18 HydrophobicContact CB-CB 4.13Å; L10-K18 HydrophobicContact CB-CD 4.13Å; L10-K18 HydrophobicContact CB-CG 4.29Å; L10-K18 HydrophobicContact CD2-CB 3.86Å; L10-K18 WeakPolarHBondContact CD2-O 3.29Å; L10-V22 HydrophobicContact CD1-CG2 3.49Å; L10-V22 VanDerWaalsContact CD1-CG2 3.49Å; L10-V22 HydrophobicContact CD2-CG2 3.38Å; L10-V22 HydrophobicContact CG-CG2 4.06Å; L10-I58 HydrophobicContact CD1-CG2 3.4Å; L10-W59 PolarHBondContact N-O 3.34Å; L10-T61 VanDerWaalsContact O-CG2 3.32Å; L10-T61 WeakPolarHBondContact O-CG2 3.33Å; L10-T61 PolarHBondContact O-OG1 3.01Å; L10-I82 CarbonylContact C-O 3.59Å; L10-I82 VanDerWaalsContact CA-O 3.28Å; L10-I82 WeakPolarHBondContact CA-O 3.47Å; L10-I82 HydrophobicContact CG-CB 4.18Å; L10-I82 HydrophobicContact CG-CD1 4.47Å; L10-V84 HydrophobicContact CD2-CG2 4.4Å
11L98.1Very high95.4Very high0 Ų034.6 Ų34.60%020%0.2CC..EExtended strand (participates in β ladder)trans-126.2162176.2-58.5174.4000109.7K18 T61 A71 Y75 I82 I83 V84 W99 L103L11-K18 VanDerWaalsContact C-CD 3.47Å; L11-K18 WeakPolarHBondContact O-CD 3.37Å; L11-T61 HydrophobicContact CD2-CG2 4.29Å; L11-A71 HydrophobicContact CD2-CB 4.25Å; L11-Y75 HydrophobicContact CD1-CD1 4.11Å; L11-I82 PolarHBondContact N-O 3.27Å; L11-I83 HydrophobicContact CB-CG1 4.41Å; L11-I83 HydrophobicContact CB-CG2 4.47Å; L11-I83 WeakPolarHBondContact O-CA 3.42Å; L11-V84 PolarHBondContact O-N 3.3Å; L11-W99 HydrophobicContact CB-CD2 4.41Å; L11-W99 HydrophobicContact CB-CE3 4.24Å; L11-W99 HydrophobicContact CD1-CE3 4.41Å; L11-W99 HydrophobicContact CD2-CZ3 4.3Å; L11-L103 HydrophobicContact CD1-CD1 4.32Å
12G97.6Very high96.7Very high1 Ų127.3 Ų27.31%0.0117%0.165CC..  trans130.3170.9-17700000112.2K18 G63G12-K18 WeakPolarHBondContact O-CE 3.49Å; G12-K18 PolarHBondContact O-NZ 3.19Å; G12-G63 WeakPolarHBondContact O-CA 3.5Å
13D96.4Very high97.2Very high31 Ų3129.9 Ų29.917%0.16616%0.161CC..  trans-72.9172.1-169-66.3-2.9000113.3V16 K18 T95 W99D13-V16 HydrophobicContact CB-CG1 4.02Å; D13-V16 VanDerWaalsContact O-CG2 3.27Å; D13-V16 WeakPolarHBondContact O-CG2 3.49Å; D13-K18 PolarHBondContact O-NZ 2.78Å; D13-T95 WeakPolarHBondContact OD1-CG2 3.13Å; D13-T95 WeakPolarHBondContact OD2-CB 3.38Å; D13-T95 VanDerWaalsContact OD2-CG2 3.28Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.39Å; D13-T95 PolarHBondContact OD2-OG1 3.48Å; D13-W99 PolarHBondContact OD1-NE1 3.07Å
14T95.4Very high97.5Very high64 Ų6426.7 Ų26.739%0.39314%0.141SC..THydrogen-bonded Turntrans-66.3137.5176.2-59.70000110V16 G63 Q64T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 3.49Å; T14-G63 PolarHBondContact N-O 2.9Å; T14-G63 VanDerWaalsContact N-O 3.15Å; T14-G63 PolarHBondContact OG1-O 3.45Å; T14-Q64 HydrophobicContact CG2-CG 4.32Å; T14-Q64 VanDerWaalsContact OG1-CA 3.31Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.27Å; T14-Q64 VanDerWaalsContact OG1-CG 3.31Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q64 PolarHBondContact OG1-N 3.16Å
15G96Very high97.7Very high50 Ų5024.6 Ų24.652%0.51513%0.133SC..THydrogen-bonded Turntrans79.5-0.7174.700000116.5G17 K119G15-G17 PolarHBondContact O-N 3.45Å; G15-K119 WeakPolarHBondContact O-CE 3.35Å; G15-K119 PolarHBondContact O-NZ 3.49Å
16V98.1Very high97.8Very high1 Ų120.7 Ų20.71%0.00612%0.117CC..SBendtrans-69.4-17.4173.9-55.40000113.1D13 T14 K18 V84 D86 T92 N118D13-V16 HydrophobicContact CB-CG1 4.02Å; D13-V16 VanDerWaalsContact O-CG2 3.27Å; D13-V16 WeakPolarHBondContact O-CG2 3.49Å; T14-V16 VanDerWaalsContact C-N 3.3Å; T14-V16 PolarHBondContact O-N 3.49Å; V16-K18 HydrophobicContact CG2-CD 4.45Å; V16-K18 HydrophobicContact CG2-CG 3.75Å; V16-V84 HydrophobicContact CB-CG1 4.22Å; V16-V84 HydrophobicContact CG2-CB 3.81Å; V16-V84 HydrophobicContact CG2-CG1 3.81Å; V16-D86 HydrophobicContact CB-CB 4.46Å; V16-D86 HydrophobicContact CG1-CB 4.4Å; V16-T92 HydrophobicContact CG1-CG2 3.89Å; V16-N118 PolarHBondContact O-ND2 3.07Å
17G98.2Very high97.8Very high12 Ų1226.3 Ų26.312%0.12414%0.143CC..SBendtrans99.723.9174.100000116G15 S19 S20 I21G15-G17 PolarHBondContact O-N 3.45Å; G17-S19 PolarHBondContact O-N 3.31Å; G17-S20 PolarHBondContact O-N 3.42Å; G17-I21 WeakPolarHBondContact O-CG1 3.35Å; G17-I21 PolarHBondContact O-N 2.97Å
18K98.4Very high97.8Very high9 Ų929.2 Ų29.24%0.03916%0.161CC..Hα-helixtrans-48.9-57.4172.7-60.6-174.8-59-73.10112L10 L11 G12 D13 V16 S20 I21 V22 D60 T61 V84L10-K18 HydrophobicContact CB-CB 4.13Å; L10-K18 HydrophobicContact CB-CD 4.13Å; L10-K18 HydrophobicContact CB-CG 4.29Å; L10-K18 HydrophobicContact CD2-CB 3.86Å; L10-K18 WeakPolarHBondContact CD2-O 3.29Å; L11-K18 VanDerWaalsContact C-CD 3.47Å; L11-K18 WeakPolarHBondContact O-CD 3.37Å; G12-K18 WeakPolarHBondContact O-CE 3.49Å; G12-K18 PolarHBondContact O-NZ 3.19Å; D13-K18 PolarHBondContact O-NZ 2.78Å; V16-K18 HydrophobicContact CG2-CD 4.45Å; V16-K18 HydrophobicContact CG2-CG 3.75Å; K18-S20 VanDerWaalsContact C-N 3.3Å; K18-S20 PolarHBondContact O-N 3.49Å; K18-I21 WeakPolarHBondContact O-CB 3.46Å; K18-I21 PolarHBondContact O-N 3.08Å; K18-I21 VanDerWaalsContact O-N 3.1Å; K18-V22 WeakPolarHBondContact O-CG2 3.17Å; K18-V22 PolarHBondContact O-N 3.17Å; K18-D60 WeakPolarHBondContact CB-OD1 3.41Å; K18-T61 WeakPolarHBondContact CE-O 3.3Å; K18-V84 HydrophobicContact CG-CB 3.94Å; K18-V84 HydrophobicContact CG-CG2 3.84Å
19S98.2Very high97.8Very high17 Ų1731.7 Ų31.712%0.11918%0.178CC..Hα-helixtrans-58.9-41.6179.8-450000111.9G17 I21 V22 W23 T37 D60G17-S19 PolarHBondContact O-N 3.31Å; S19-I21 PolarHBondContact O-N 3.15Å; S19-V22 PolarHBondContact O-N 3.1Å; S19-W23 WeakPolarHBondContact O-CB 3.47Å; S19-W23 VanDerWaalsContact O-CD1 3.27Å; S19-W23 PolarHBondContact O-N 3.12Å; S19-T37 PolarHBondContact OG-OG1 3.04Å; S19-D60 WeakPolarHBondContact CA-OD2 3.35Å; S19-D60 VanDerWaalsContact CB-OD2 3.24Å; S19-D60 WeakPolarHBondContact CB-OD2 3.33Å; S19-D60 PolarHBondContact N-OD1 2.69Å; S19-D60 PolarHBondContact OG-OD1 3.18Å; S19-D60 PolarHBondContact OG-OD2 3.28Å
20S98.4Very high97.7Very high15 Ų1534.9 Ų34.911%0.10519%0.192CC..Hα-helixtrans-64-38.4176.8-48.50000112.6G17 K18 R24G17-S20 PolarHBondContact O-N 3.42Å; K18-S20 VanDerWaalsContact C-N 3.3Å; K18-S20 PolarHBondContact O-N 3.49Å; S20-R24 WeakPolarHBondContact O-CB 3.24Å; S20-R24 PolarHBondContact O-N 2.8Å
21I98.8Very high97.6Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-62.4-46.4173.3-70.6170.8000110.1G17 K18 S19 R24 F25 V84 A116 N118 A149 I155 L158 F159G17-I21 WeakPolarHBondContact O-CG1 3.35Å; G17-I21 PolarHBondContact O-N 2.97Å; K18-I21 WeakPolarHBondContact O-CB 3.46Å; K18-I21 PolarHBondContact O-N 3.08Å; K18-I21 VanDerWaalsContact O-N 3.1Å; S19-I21 PolarHBondContact O-N 3.15Å; I21-R24 PolarHBondContact O-N 3.12Å; I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.11Å; I21-V84 HydrophobicContact CD1-CG1 3.78Å; I21-V84 HydrophobicContact CD1-CG2 4.06Å; I21-A116 HydrophobicContact CD1-CB 4.3Å; I21-N118 HydrophobicContact CD1-CB 4.12Å; I21-A149 HydrophobicContact CG1-CB 4.29Å; I21-I155 HydrophobicContact CB-CD1 4.35Å; I21-I155 HydrophobicContact CG1-CD1 3.98Å; I21-I155 HydrophobicContact CG2-CD1 4.13Å; I21-L158 HydrophobicContact CG2-CD2 4.28Å; I21-F159 HydrophobicContact CG2-CE2 4.22Å
22V98.4Very high97.3Very high0 Ų043.5 Ų43.50%024%0.243CC..Hα-helixtrans-65.6-45.3-179.6-171.20000111.1L10 K18 S19 R24 F25 V26 M43 I58 D60L10-V22 HydrophobicContact CD1-CG2 3.49Å; L10-V22 VanDerWaalsContact CD1-CG2 3.49Å; L10-V22 HydrophobicContact CD2-CG2 3.38Å; L10-V22 HydrophobicContact CG-CG2 4.06Å; K18-V22 WeakPolarHBondContact O-CG2 3.17Å; K18-V22 PolarHBondContact O-N 3.17Å; S19-V22 PolarHBondContact O-N 3.1Å; V22-R24 PolarHBondContact O-N 2.95Å; V22-F25 PolarHBondContact O-N 3.01Å; V22-V26 HydrophobicContact CG1-CG2 3.9Å; V22-V26 WeakPolarHBondContact O-CB 3.49Å; V22-V26 VanDerWaalsContact O-CG2 3.27Å; V22-V26 WeakPolarHBondContact O-CG2 3.47Å; V22-V26 PolarHBondContact O-N 2.94Å; V22-M43 HydrophobicContact CB-CE 3.63Å; V22-M43 HydrophobicContact CG1-CB 4.13Å; V22-M43 HydrophobicContact CG1-CE 3.2Å; V22-M43 HydrophobicContact CG1-CG 4.4Å; V22-M43 HydrophobicContact CG1-SD 3.76Å; V22-I58 HydrophobicContact CB-CG2 4.46Å; V22-I58 HydrophobicContact CG1-CB 4.27Å; V22-I58 HydrophobicContact CG1-CD1 4.11Å; V22-I58 HydrophobicContact CG1-CG2 3.72Å; V22-I58 HydrophobicContact CG2-CG2 3.79Å; V22-D60 HydrophobicContact CG2-CB 4.2Å
23W97.6Very high97Very high118 Ų11849.7 Ų49.745%0.44728%0.276SS..Hα-helixtrans-61.3-43.9176.6-90.178.8000112.1S19 F25 V26 E27 D28 I34 M43S19-W23 WeakPolarHBondContact O-CB 3.47Å; S19-W23 VanDerWaalsContact O-CD1 3.27Å; S19-W23 PolarHBondContact O-N 3.12Å; W23-F25 VanDerWaalsContact C-N 3.3Å; W23-F25 PolarHBondContact O-N 3.4Å; W23-V26 PolarHBondContact O-N 3.27Å; W23-E27 HydrophobicContact CE3-CB 4.18Å; W23-E27 HydrophobicContact CE3-CG 3.98Å; W23-E27 HydrophobicContact CZ3-CG 4.18Å; W23-E27 WeakPolarHBondContact O-CA 3.31Å; W23-E27 WeakPolarHBondContact O-CB 3.44Å; W23-E27 PolarHBondContact O-N 3.35Å; W23-D28 PolarHBondContact O-N 2.65Å; W23-I34 HydrophobicContact CG-CD1 4.41Å; W23-M43 HydrophobicContact CG-CE 4.46Å
24R98.6Very high96.8Very high40 Ų4051 Ų5115%0.15128%0.283CS..Hα-helixtrans-63.1-40.2175.317855.173.1-174.20.2111.4S20 I21 V22 D28 S29 A149 K150 A152 I155S20-R24 WeakPolarHBondContact O-CB 3.24Å; S20-R24 PolarHBondContact O-N 2.8Å; I21-R24 PolarHBondContact O-N 3.12Å; V22-R24 PolarHBondContact O-N 2.95Å; R24-D28 WeakPolarHBondContact CD-OD1 3.29Å; R24-D28 IonicContact CZ-OD1 2.69Å; R24-D28 PolarHBondContact NH1-O 2.88Å; R24-D28 IonicContact NH1-OD1 3.71Å; R24-D28 PolarHBondContact NH1-OD1 3.33Å; R24-D28 VanDerWaalsContact O-CA 3.26Å; R24-D28 WeakPolarHBondContact O-CA 3.44Å; R24-D28 PolarHBondContact O-N 2.85Å; R24-S29 WeakPolarHBondContact CA-O 3.26Å; R24-S29 PolarHBondContact N-O 3.29Å; R24-A149 HydrophobicContact CB-CB 4.37Å; R24-A149 PolarHBondContact NE-O 2.79Å; R24-K150 PolarHBondContact NH2-O 3.19Å; R24-A152 HydrophobicContact CG-CB 4.24Å; R24-I155 HydrophobicContact CB-CG1 4.42Å; R24-I155 HydrophobicContact CB-CG2 4.34Å; R24-I155 HydrophobicContact CG-CB 4.16Å; R24-I155 HydrophobicContact CG-CD1 4.4Å; R24-I155 HydrophobicContact CG-CG1 3.71Å; R24-I155 HydrophobicContact CG-CG2 4.01Å
25F98.6Very high96.5Very high1 Ų154.4 Ų54.40%0.00430%0.299CS..Hα-helixtrans-67.5-46.1176.9179.9-121.2000111.6I21 V22 W23 K45 V47 F56 I58 I155 F159I21-F25 WeakPolarHBondContact O-CB 3.44Å; I21-F25 PolarHBondContact O-N 3.11Å; V22-F25 PolarHBondContact O-N 3.01Å; W23-F25 VanDerWaalsContact C-N 3.3Å; W23-F25 PolarHBondContact O-N 3.4Å; F25-K45 HydrophobicContact CD1-CB 4.26Å; F25-K45 HydrophobicContact CD1-CD 4.07Å; F25-K45 HydrophobicContact CD2-CD 4.35Å; F25-K45 HydrophobicContact CE1-CB 3.77Å; F25-K45 HydrophobicContact CE1-CD 3.88Å; F25-K45 HydrophobicContact CE1-CG 3.92Å; F25-K45 HydrophobicContact CE2-CD 4.16Å; F25-K45 HydrophobicContact CG-CD 4.31Å; F25-K45 HydrophobicContact CZ-CB 4.37Å; F25-K45 HydrophobicContact CZ-CD 3.94Å; F25-K45 HydrophobicContact CZ-CG 4.03Å; F25-K45 WeakPolarHBondContact O-CD 3.46Å; F25-K45 VanDerWaalsContact O-CE 3.25Å; F25-K45 WeakPolarHBondContact O-CE 3.47Å; F25-K45 PolarHBondContact O-NZ 3.11Å; F25-V47 HydrophobicContact CE2-CG1 4.1Å; F25-V47 HydrophobicContact CZ-CG1 3.69Å; F25-F56 HydrophobicContact CE1-CD2 4.06Å; F25-F56 HydrophobicContact CE1-CG 4.41Å; F25-F56 AromaticContact CZ-CD2 3.99Å; F25-F56 HydrophobicContact CZ-CD2 3.99Å; F25-F56 HydrophobicContact CZ-CE2 4.27Å; F25-I58 HydrophobicContact CD1-CD1 3.71Å; F25-I58 HydrophobicContact CE1-CD1 3.91Å; F25-I155 HydrophobicContact CB-CG2 3.68Å; F25-I155 HydrophobicContact CD2-CG2 4.36Å; F25-I155 HydrophobicContact CG-CG2 4.49Å; F25-F159 HydrophobicContact CB-CD2 4.12Å; F25-F159 HydrophobicContact CB-CE2 3.56Å; F25-F159 HydrophobicContact CB-CZ 4.09Å; F25-F159 AromaticContact CD1-CD1 3.98Å; F25-F159 HydrophobicContact CD1-CD1 3.98Å; F25-F159 AromaticContact CD1-CD2 3.78Å; F25-F159 HydrophobicContact CD1-CD2 3.78Å; F25-F159 AromaticContact CD1-CE1 3.8Å; F25-F159 HydrophobicContact CD1-CE1 3.8Å; F25-F159 AromaticContact CD1-CE2 3.62Å; F25-F159 HydrophobicContact CD1-CE2 3.62Å; F25-F159 AromaticContact CD1-CG 3.99Å; F25-F159 HydrophobicContact CD1-CG 3.99Å; F25-F159 AromaticContact CD1-CZ 3.62Å; F25-F159 HydrophobicContact CD1-CZ 3.62Å; F25-F159 HydrophobicContact CD2-CB 4.46Å; F25-F159 AromaticContact CD2-CD2 3.45Å; F25-F159 HydrophobicContact CD2-CD2 3.45Å; F25-F159 VanDerWaalsContact CD2-CD2 3.45Å; F25-F159 AromaticContact CD2-CE2 3.83Å; F25-F159 HydrophobicContact CD2-CE2 3.83Å; F25-F159 HydrophobicContact CD2-CG 4.01Å; F25-F159 HydrophobicContact CE1-CB 4.32Å; F25-F159 AromaticContact CE1-CD1 3.66Å; F25-F159 HydrophobicContact CE1-CD1 3.66Å; F25-F159 AromaticContact CE1-CD2 3.98Å; F25-F159 HydrophobicContact CE1-CD2 3.98Å; F25-F159 AromaticContact CE1-CE1 3.88Å; F25-F159 HydrophobicContact CE1-CE1 3.88Å; F25-F159 HydrophobicContact CE1-CE2 4.22Å; F25-F159 AromaticContact CE1-CG 3.71Å; F25-F159 HydrophobicContact CE1-CG 3.71Å; F25-F159 HydrophobicContact CE1-CZ 4.17Å; F25-F159 HydrophobicContact CE2-CB 3.81Å; F25-F159 AromaticContact CE2-CD2 3.67Å; F25-F159 HydrophobicContact CE2-CD2 3.67Å; F25-F159 HydrophobicContact CE2-CE2 4.41Å; F25-F159 AromaticContact CE2-CG 3.76Å; F25-F159 HydrophobicContact CE2-CG 3.76Å; F25-F159 AromaticContact CG-CD2 3.5Å; F25-F159 HydrophobicContact CG-CD2 3.5Å; F25-F159 HydrophobicContact CG-CE1 4.41Å; F25-F159 AromaticContact CG-CE2 3.38Å; F25-F159 HydrophobicContact CG-CE2 3.38Å; F25-F159 HydrophobicContact CG-CG 4.12Å; F25-F159 AromaticContact CG-CZ 3.87Å; F25-F159 HydrophobicContact CG-CZ 3.87Å; F25-F159 HydrophobicContact CZ-CB 3.71Å; F25-F159 AromaticContact CZ-CD1 3.96Å; F25-F159 HydrophobicContact CZ-CD1 3.96Å; F25-F159 AromaticContact CZ-CD2 3.92Å; F25-F159 HydrophobicContact CZ-CD2 3.92Å; F25-F159 AromaticContact CZ-CG 3.59Å; F25-F159 HydrophobicContact CZ-CG 3.59Å
26V97.9Very high96.3Very high26 Ų2655.8 Ų55.816%0.15830%0.298CS..Hα-helixtrans-80.1-52.1-171178.30000111.7V22 W23 M43 K45 I58V22-V26 HydrophobicContact CG1-CG2 3.9Å; V22-V26 WeakPolarHBondContact O-CB 3.49Å; V22-V26 VanDerWaalsContact O-CG2 3.27Å; V22-V26 WeakPolarHBondContact O-CG2 3.47Å; V22-V26 PolarHBondContact O-N 2.94Å; W23-V26 PolarHBondContact O-N 3.27Å; V26-M43 HydrophobicContact CB-SD 4.27Å; V26-M43 HydrophobicContact CG1-SD 4.42Å; V26-M43 HydrophobicContact CG2-CB 4.1Å; V26-M43 HydrophobicContact CG2-SD 4.2Å; V26-K45 HydrophobicContact CG2-CB 4.16Å; V26-I58 HydrophobicContact CG2-CD1 3.99Å
27E97.1Very high95.8Very high120 Ų12056.9 Ų56.956%0.56131%0.305SS*.Hα-helixtrans-104.8-2.6-169.1-60.1-60.415500113.7W23 S29W23-E27 HydrophobicContact CE3-CB 4.18Å; W23-E27 HydrophobicContact CE3-CG 3.98Å; W23-E27 HydrophobicContact CZ3-CG 4.18Å; W23-E27 WeakPolarHBondContact O-CA 3.31Å; W23-E27 WeakPolarHBondContact O-CB 3.44Å; W23-E27 PolarHBondContact O-N 3.35Å; E27-S29 PolarHBondContact O-N 2.94Å
28D97.6Very high95.4Very high109 Ų10962.3 Ų62.358%0.58333%0.33SS*.SBendtrans48.441.8-170.8-164.321.2000113.1W23 R24W23-D28 PolarHBondContact O-N 2.65Å; R24-D28 WeakPolarHBondContact CD-OD1 3.29Å; R24-D28 IonicContact CZ-OD1 2.69Å; R24-D28 PolarHBondContact NH1-O 2.88Å; R24-D28 IonicContact NH1-OD1 3.71Å; R24-D28 PolarHBondContact NH1-OD1 3.33Å; R24-D28 VanDerWaalsContact O-CA 3.26Å; R24-D28 WeakPolarHBondContact O-CA 3.44Å; R24-D28 PolarHBondContact O-N 2.85Å
29S96.9Very high94.9Very high52 Ų5262.5 Ų62.536%0.36434%0.335SS..  trans-131156.3-177.2-173.90000111.8R24 E27R24-S29 WeakPolarHBondContact CA-O 3.26Å; R24-S29 PolarHBondContact N-O 3.29Å; E27-S29 PolarHBondContact O-N 2.94Å
30F97.6Very high94.7Very high66 Ų6663.3 Ų63.329%0.28934%0.342SS..  trans-140.3126.8175.6175-95.8000110P32 A149 K150F30-P32 HydrophobicContact CE1-CB 3.96Å; F30-P32 HydrophobicContact CE1-CG 4.5Å; F30-P32 HydrophobicContact CZ-CB 4.42Å; F30-A149 HydrophobicContact CD2-CB 4.15Å; F30-A149 HydrophobicContact CE2-CB 4.39Å; F30-K150 HydrophobicContact CD1-CB 4.36Å; F30-K150 HydrophobicContact CD1-CG 4.14Å; F30-K150 HydrophobicContact CD2-CB 4.31Å; F30-K150 HydrophobicContact CE1-CB 4.11Å; F30-K150 HydrophobicContact CE1-CG 3.85Å; F30-K150 HydrophobicContact CE2-CB 4.05Å; F30-K150 HydrophobicContact CG-CB 4.46Å; F30-K150 HydrophobicContact CZ-CB 3.95Å; F30-K150 HydrophobicContact CZ-CG 4.15Å
31D95.4Very high94.5Very high85 Ų8565 Ų6546%0.45535%0.354SS..  trans-115.4116.9171.6-177.70.1000109.3N33 I34D31-N33 PolarHBondContact O-N 2.81Å; D31-N33 PolarHBondContact OD1-N 2.81Å; D31-I34 PolarHBondContact O-N 2.81Å
32P91.4Very high94.4Very high96 Ų9669.8 Ų69.862%0.62338%0.375SS*.THydrogen-bonded Turntrans-65.2-20175.927.5-34.6000113.3F30F30-P32 HydrophobicContact CE1-CB 3.96Å; F30-P32 HydrophobicContact CE1-CG 4.5Å; F30-P32 HydrophobicContact CZ-CB 4.42Å
33N92.5Very high94.4Very high131 Ų13171 Ų7170%0.70138%0.381SS*.THydrogen-bonded Turntrans-105.224.8-176.1-58.4-51.7000112.6D31 N35D31-N33 PolarHBondContact O-N 2.81Å; D31-N33 PolarHBondContact OD1-N 2.81Å; N33-N35 PolarHBondContact O-N 2.64Å
34I91Very high94.4Very high58 Ų5868.4 Ų68.430%0.29738%0.378SS..PPolyproline II helixtrans-57.9127.3179-165.8165.9000111.2W23 D31W23-I34 HydrophobicContact CG-CD1 4.41Å; D31-I34 PolarHBondContact O-N 2.81Å
35N90Very high94.4Very high137 Ų13769.2 Ų69.273%0.73338%0.383SS*.PPolyproline II helixtrans-66.5146.9178.4-72.8-50.4000111.1N33 T37N33-N35 PolarHBondContact O-N 2.64Å; N35-T37 PolarHBondContact O-N 3.12Å
36P90.9Very high94.3Very high78 Ų7872.7 Ų72.751%0.50640%0.404SS..PPolyproline II helixtrans-57.1132.1174.1-24.433.8000112.3I38P36-I38 PolarHBondContact O-N 3.19Å
37T88.6Confident94.2Very high25 Ų2572.6 Ų72.615%0.15340%0.404CS..PPolyproline II helixtrans-61.6130.4175-53.80000111S19 N35 D60 A62S19-T37 PolarHBondContact OG-OG1 3.04Å; N35-T37 PolarHBondContact O-N 3.12Å; T37-D60 PolarHBondContact OG1-OD2 3.45Å; T37-D60 VanDerWaalsContact OG1-OD2 3.05Å; T37-A62 WeakPolarHBondContact O-CB 3.19Å
38I88.6Confident94.1Very high126 Ų12672.7 Ų72.765%0.64640%0.404SS*.SBendtrans-99.3118.4173.4-58.6178.5000107.9P36 A40 F67P36-I38 PolarHBondContact O-N 3.19Å; I38-A40 PolarHBondContact O-N 3.44Å; I38-F67 HydrophobicContact CG2-CE2 4.35Å; I38-F67 HydrophobicContact CG2-CZ 3.86Å
39G89.8Confident93.9Very high13 Ų1369.1 Ų69.113%0.13438%0.383CS..SBendtrans68.7-100.2-175.900000112.2A62G39-A62 WeakPolarHBondContact O-CB 3.4Å; G39-A62 PolarHBondContact O-N 2.75Å
40A92.6Very high93.6Very high33 Ų3373.3 Ų73.327%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-154.5154.5172.300000112.3I38 W59 D60 Y74I38-A40 PolarHBondContact O-N 3.44Å; A40-W59 HydrophobicContact CB-CE3 4.26Å; A40-D60 CarbonylContact C-O 3.6Å; A40-D60 WeakPolarHBondContact CA-O 3.36Å; A40-D60 WeakPolarHBondContact CB-O 3.3Å; A40-Y74 HydrophobicContact CB-CD1 4Å; A40-Y74 HydrophobicContact CB-CE1 3.3Å; A40-Y74 HydrophobicContact CB-CE2 3.98Å; A40-Y74 WeakPolarHBondContact CB-OH 3.29Å
41S94.6Very high93.2Very high50 Ų5076.8 Ų76.835%0.3542%0.418SS..EExtended strand (participates in β ladder)trans-109.7151.9169.5-176.40000110.5D60S41-D60 PolarHBondContact N-O 3.12Å; S41-D60 PolarHBondContact O-N 3.27Å
42F96.6Very high93.1Very high101 Ų10174.2 Ų74.244%0.44340%0.403SS..EExtended strand (participates in β ladder)trans-120.2128.4178.3179.2-104.4000110.4T44 L57 I58 W59F42-T44 HydrophobicContact CE1-CG2 3.56Å; F42-T44 HydrophobicContact CE2-CG2 4.48Å; F42-T44 HydrophobicContact CZ-CG2 3.51Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4.03Å; F42-L57 HydrophobicContact CZ-CD2 4.17Å; F42-I58 WeakPolarHBondContact CA-O 3.46Å; F42-I58 WeakPolarHBondContact CD2-O 3.28Å; F42-W59 HydrophobicContact CD2-CD2 4.13Å; F42-W59 AromaticContact CD2-CE2 3.79Å; F42-W59 HydrophobicContact CD2-CG 4.42Å; F42-W59 HydrophobicContact CD2-CZ2 4.11Å; F42-W59 AromaticContact CD2-NE1 3.82Å; F42-W59 AromaticContact CE2-NE1 3.89Å
43M97.6Very high93.3Very high25 Ų2572 Ų7212%0.12339%0.386CS..EExtended strand (participates in β ladder)trans-135.8158.6176.2-68.4-172-10500110.7V22 W23 V26 I58V22-M43 HydrophobicContact CB-CE 3.63Å; V22-M43 HydrophobicContact CG1-CB 4.13Å; V22-M43 HydrophobicContact CG1-CE 3.2Å; V22-M43 HydrophobicContact CG1-CG 4.4Å; V22-M43 HydrophobicContact CG1-SD 3.76Å; W23-M43 HydrophobicContact CG-CE 4.46Å; V26-M43 HydrophobicContact CB-SD 4.27Å; V26-M43 HydrophobicContact CG1-SD 4.42Å; V26-M43 HydrophobicContact CG2-CB 4.1Å; V26-M43 HydrophobicContact CG2-SD 4.2Å; M43-I58 PolarHBondContact N-O 3.17Å; M43-I58 WeakPolarHBondContact O-CA 3.07Å; M43-I58 WeakPolarHBondContact O-CB 3.41Å; M43-I58 PolarHBondContact O-N 3.08Å
44T98.3Very high93.4Very high65 Ų6566 Ų6640%0.39935%0.354SS..EExtended strand (participates in β ladder)trans-131.9141.1175.762.40000111.5F42 F56 L57F42-T44 HydrophobicContact CE1-CG2 3.56Å; F42-T44 HydrophobicContact CE2-CG2 4.48Å; F42-T44 HydrophobicContact CZ-CG2 3.51Å; T44-F56 WeakPolarHBondContact CA-O 3.25Å; T44-F56 WeakPolarHBondContact CB-O 3.36Å; T44-L57 HydrophobicContact CG2-CD2 3.79Å
45K98.1Very high93.8Very high57 Ų5766 Ų6625%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-142134.1168.7175.6155.8177.61610110.2F25 V26 V47 F56F25-K45 HydrophobicContact CD1-CB 4.26Å; F25-K45 HydrophobicContact CD1-CD 4.07Å; F25-K45 HydrophobicContact CD2-CD 4.35Å; F25-K45 HydrophobicContact CE1-CB 3.77Å; F25-K45 HydrophobicContact CE1-CD 3.88Å; F25-K45 HydrophobicContact CE1-CG 3.92Å; F25-K45 HydrophobicContact CE2-CD 4.16Å; F25-K45 HydrophobicContact CG-CD 4.31Å; F25-K45 HydrophobicContact CZ-CB 4.37Å; F25-K45 HydrophobicContact CZ-CD 3.94Å; F25-K45 HydrophobicContact CZ-CG 4.03Å; F25-K45 WeakPolarHBondContact O-CD 3.46Å; F25-K45 VanDerWaalsContact O-CE 3.25Å; F25-K45 WeakPolarHBondContact O-CE 3.47Å; F25-K45 PolarHBondContact O-NZ 3.11Å; V26-K45 HydrophobicContact CG2-CB 4.16Å; K45-V47 HydrophobicContact CG-CG1 4.16Å; K45-F56 PolarHBondContact N-O 3.41Å; K45-F56 WeakPolarHBondContact O-CB 3.4Å; K45-F56 PolarHBondContact O-N 2.95Å
46T97.9Very high94.2Very high74 Ų7459.4 Ų59.445%0.45432%0.316SS..EExtended strand (participates in β ladder)trans-98129.2173.5-56.10000109.1L3 L53 H54L3-T46 HydrophobicContact CD1-CG2 4.44Å; T46-L53 HydrophobicContact CG2-CB 4.06Å; T46-H54 CarbonylContact C-O 3.35Å; T46-H54 WeakPolarHBondContact CA-O 3.32Å
47V95.8Very high94.5Very high23 Ų2357.2 Ų57.214%0.13930%0.3CS..EExtended strand (participates in β ladder)trans-122.8150.5172.1-55.50000109.6F25 K45 H54 F56F25-V47 HydrophobicContact CE2-CG1 4.1Å; F25-V47 HydrophobicContact CZ-CG1 3.69Å; K45-V47 HydrophobicContact CG-CG1 4.16Å; V47-H54 HydrophobicContact CG2-CB 4.06Å; V47-H54 PolarHBondContact N-O 3.43Å; V47-H54 PolarHBondContact O-N 3.08Å; V47-F56 HydrophobicContact CG2-CD2 4.15Å; V47-F56 HydrophobicContact CG2-CE2 3.59Å
48Q94.4Very high95Very high122 Ų12256 Ų5657%0.5729%0.293SS*.EExtended strand (participates in β ladder)trans-85.1128.7169.4-174176.9-13.300108.9M1 L53M1-Q48 HydrophobicContact SD-CG 4.43Å; Q48-L53 HydrophobicContact CB-CD2 4.03Å; Q48-L53 HydrophobicContact CG-CD2 4.27Å
49Y93.5Very high95.5Very high35 Ų3553.7 Ų53.714%0.13728%0.276CS..EExtended strand (participates in β ladder)trans-134.2116.9173.3179.5-102.5000108.5N51 E52 H54 I160 R164Y49-N51 PolarHBondContact O-N 2.8Å; Y49-E52 PolarHBondContact N-O 3.23Å; Y49-E52 PolarHBondContact O-N 3.26Å; Y49-E52 VanDerWaalsContact O-N 3.07Å; Y49-E52 VanDerWaalsContact O-O 3.12Å; Y49-H54 AromaticContact CD1-CE1 3.55Å; Y49-I160 HydrophobicContact CD2-CD1 4.18Å; Y49-I160 HydrophobicContact CD2-CG2 4.2Å; Y49-I160 HydrophobicContact CE2-CG2 4.04Å; Y49-R164 HydrophobicContact CE2-CB 4.5Å; Y49-R164 WeakPolarHBondContact OH-CA 3.14Å; Y49-R164 WeakPolarHBondContact OH-CB 3.31Å; Y49-R164 WeakPolarHBondContact OH-CG 3.28Å
50Q89.6Confident95.8Very high140 Ų14053.2 Ų53.265%0.65427%0.27SS*.THydrogen-bonded Turntrans53.3-125.4-170.2-55.7179.6-7.300111
51N89.8Confident95.9Very high138 Ų13851.8 Ų51.874%0.73826%0.258SS*.THydrogen-bonded Turntrans-97.611.3179.7-68.1-4.4000113.1Y49Y49-N51 PolarHBondContact O-N 2.8Å
52E92.8Very high95.7Very high31 Ų3149.8 Ų49.815%0.14524%0.244CC..EExtended strand (participates in β ladder)trans-113.8155.8179.1-63.3-172.9-164.600111.7A2 Y49 H54A2-E52 HydrophobicContact CB-CG 4.47Å; Y49-E52 PolarHBondContact N-O 3.23Å; Y49-E52 PolarHBondContact O-N 3.26Å; Y49-E52 VanDerWaalsContact O-N 3.07Å; Y49-E52 VanDerWaalsContact O-O 3.12Å; E52-H54 IonicContact OE2-CD2 3.82Å; E52-H54 IonicContact OE2-NE2 3.78Å; E52-H54 PolarHBondContact OE2-NE2 3.35Å
53L95.6Very high95Very high51 Ų5145.5 Ų45.527%0.26723%0.229SC..EExtended strand (participates in β ladder)trans-102.4115.7166.3-65.3177.6000108M1 A2 L3 R4 T46 Q48M1-L53 HydrophobicContact CB-CD1 4.47Å; M1-L53 HydrophobicContact CB-CG 4.14Å; M1-L53 HydrophobicContact SD-CD2 4.46Å; A2-L53 PolarHBondContact O-N 2.89Å; L3-L53 WeakPolarHBondContact CA-O 3.31Å; L3-L53 HydrophobicContact CD1-CB 3.83Å; R4-L53 PolarHBondContact N-O 3.28Å; T46-L53 HydrophobicContact CG2-CB 4.06Å; Q48-L53 HydrophobicContact CB-CD2 4.03Å; Q48-L53 HydrophobicContact CG-CD2 4.27Å
54H96.6Very high94.4Very high3 Ų346.1 Ų46.11%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-94.8110175.4-73.8-170.4000109.4R4 L6 T46 V47 Y49 E52 F56 S163R4-H54 CarbonylContact O-C 3.52Å; R4-H54 WeakPolarHBondContact O-CA 3.46Å; L6-H54 HydrophobicContact CD1-CB 3.91Å; T46-H54 CarbonylContact C-O 3.35Å; T46-H54 WeakPolarHBondContact CA-O 3.32Å; V47-H54 HydrophobicContact CG2-CB 4.06Å; V47-H54 PolarHBondContact N-O 3.43Å; V47-H54 PolarHBondContact O-N 3.08Å; Y49-H54 AromaticContact CD1-CE1 3.55Å; E52-H54 IonicContact OE2-CD2 3.82Å; E52-H54 IonicContact OE2-NE2 3.78Å; E52-H54 PolarHBondContact OE2-NE2 3.35Å; H54-F56 HydrophobicContact CB-CE2 4.34Å; H54-S163 WeakPolarHBondContact ND1-CB 3.48Å; H54-S163 PolarHBondContact ND1-OG 2.92Å
55K97.9Very high93.6Very high58 Ų5850.3 Ų50.325%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-92.3104.6173179179.2171.5-1570109.3L3 R4 E5 L6 L57L3-K55 HydrophobicContact CD1-CB 3.91Å; R4-K55 PolarHBondContact O-N 2.95Å; E5-K55 WeakPolarHBondContact CA-O 3.35Å; E5-K55 HydrophobicContact CG-CB 4.45Å; E5-K55 HydrophobicContact CG-CD 4.26Å; E5-K55 IonicContact OE1-NZ 3.39Å; E5-K55 PolarHBondContact OE1-NZ 3.06Å; L6-K55 PolarHBondContact N-O 2.87Å; K55-L57 HydrophobicContact CD-CD2 4.33Å; K55-L57 HydrophobicContact CG-CD2 4.13Å
56F98.5Very high93Very high0 Ų055.4 Ų55.40%026%0.264CS..EExtended strand (participates in β ladder)trans-73.2128.5174-72.1-78.3000110.6L6 V8 F25 T44 K45 V47 H54 I58 F159 I162 S163L6-F56 HydrophobicContact CB-CD1 4.05Å; L6-F56 HydrophobicContact CB-CE1 4.19Å; L6-F56 HydrophobicContact CD1-CD1 4.49Å; L6-F56 HydrophobicContact CD1-CE1 3.9Å; L6-F56 HydrophobicContact CD1-CZ 4.09Å; L6-F56 WeakPolarHBondContact O-CA 3.26Å; V8-F56 HydrophobicContact CG2-CD1 3.66Å; V8-F56 HydrophobicContact CG2-CE1 3.99Å; F25-F56 HydrophobicContact CE1-CD2 4.06Å; F25-F56 HydrophobicContact CE1-CG 4.41Å; F25-F56 AromaticContact CZ-CD2 3.99Å; F25-F56 HydrophobicContact CZ-CD2 3.99Å; F25-F56 HydrophobicContact CZ-CE2 4.27Å; T44-F56 WeakPolarHBondContact CA-O 3.25Å; T44-F56 WeakPolarHBondContact CB-O 3.36Å; K45-F56 PolarHBondContact N-O 3.41Å; K45-F56 WeakPolarHBondContact O-CB 3.4Å; K45-F56 PolarHBondContact O-N 2.95Å; V47-F56 HydrophobicContact CG2-CD2 4.15Å; V47-F56 HydrophobicContact CG2-CE2 3.59Å; H54-F56 HydrophobicContact CB-CE2 4.34Å; F56-I58 HydrophobicContact CB-CD1 4.03Å; F56-I58 HydrophobicContact CB-CG1 3.75Å; F56-F159 HydrophobicContact CD1-CD1 4.05Å; F56-F159 HydrophobicContact CD2-CD1 4.43Å; F56-F159 HydrophobicContact CE1-CD1 4.03Å; F56-F159 HydrophobicContact CE2-CB 4.04Å; F56-F159 HydrophobicContact CE2-CD1 4.39Å; F56-F159 HydrophobicContact CG-CD1 4.25Å; F56-F159 HydrophobicContact CZ-CB 3.95Å; F56-F159 HydrophobicContact CZ-CD1 4.2Å; F56-F159 WeakPolarHBondContact CZ-O 3.47Å; F56-I162 HydrophobicContact CE1-CG2 4.11Å; F56-S163 WeakPolarHBondContact CZ-OG 3.31Å
57L98.5Very high92.5Very high31 Ų3153.9 Ų53.916%0.16225%0.252CS..EExtended strand (participates in β ladder)trans-107.196.1170.6-49.3179000107E5 L6 K7 V8 F42 T44 K55E5-L57 HydrophobicContact CB-CD1 4.13Å; E5-L57 HydrophobicContact CB-CG 4.47Å; L6-L57 PolarHBondContact O-N 2.89Å; K7-L57 WeakPolarHBondContact CA-O 3.39Å; V8-L57 PolarHBondContact N-O 2.79Å; F42-L57 HydrophobicContact CE2-CB 3.83Å; F42-L57 HydrophobicContact CZ-CB 4.03Å; F42-L57 HydrophobicContact CZ-CD2 4.17Å; T44-L57 HydrophobicContact CG2-CD2 3.79Å; K55-L57 HydrophobicContact CD-CD2 4.33Å; K55-L57 HydrophobicContact CG-CD2 4.13Å
58I98.6Very high92Very high0 Ų056 Ų560%026%0.257CS..EExtended strand (participates in β ladder)trans-100.7121.4-163.2-50.5171.8000110.2V8 L10 V22 F25 V26 F42 M43 F56 F159V8-I58 CarbonylContact O-C 3.53Å; V8-I58 WeakPolarHBondContact O-CA 3.46Å; L10-I58 HydrophobicContact CD1-CG2 3.4Å; V22-I58 HydrophobicContact CB-CG2 4.46Å; V22-I58 HydrophobicContact CG1-CB 4.27Å; V22-I58 HydrophobicContact CG1-CD1 4.11Å; V22-I58 HydrophobicContact CG1-CG2 3.72Å; V22-I58 HydrophobicContact CG2-CG2 3.79Å; F25-I58 HydrophobicContact CD1-CD1 3.71Å; F25-I58 HydrophobicContact CE1-CD1 3.91Å; V26-I58 HydrophobicContact CG2-CD1 3.99Å; F42-I58 WeakPolarHBondContact CA-O 3.46Å; F42-I58 WeakPolarHBondContact CD2-O 3.28Å; M43-I58 PolarHBondContact N-O 3.17Å; M43-I58 WeakPolarHBondContact O-CA 3.07Å; M43-I58 WeakPolarHBondContact O-CB 3.41Å; M43-I58 PolarHBondContact O-N 3.08Å; F56-I58 HydrophobicContact CB-CD1 4.03Å; F56-I58 HydrophobicContact CB-CG1 3.75Å; I58-F159 HydrophobicContact CD1-CE1 4.01Å; I58-F159 HydrophobicContact CD1-CZ 4.4Å
59W98.1Very high91.8Very high78 Ų7854.6 Ų54.630%0.29527%0.266SS..EExtended strand (participates in β ladder)trans-100.7104.5171.8-69.183.4000109.7V8 C9 L10 A40 F42 Y74V8-W59 PolarHBondContact O-N 3.06Å; C9-W59 CarbonylContact C-O 3.59Å; C9-W59 WeakPolarHBondContact CA-O 3.47Å; C9-W59 HydrophobicContact CB-CB 4.07Å; L10-W59 PolarHBondContact N-O 3.34Å; A40-W59 HydrophobicContact CB-CE3 4.26Å; F42-W59 HydrophobicContact CD2-CD2 4.13Å; F42-W59 AromaticContact CD2-CE2 3.79Å; F42-W59 HydrophobicContact CD2-CG 4.42Å; F42-W59 HydrophobicContact CD2-CZ2 4.11Å; F42-W59 AromaticContact CD2-NE1 3.82Å; F42-W59 AromaticContact CE2-NE1 3.89Å; W59-Y74 HydrophobicContact CD2-CD1 4.09Å; W59-Y74 AromaticContact CE3-CD1 3.48Å; W59-Y74 HydrophobicContact CE3-CD1 3.48Å; W59-Y74 VanDerWaalsContact CE3-CD1 3.48Å; W59-Y74 AromaticContact CE3-CE1 3.72Å; W59-Y74 HydrophobicContact CE3-CE1 3.72Å; W59-Y74 AromaticContact CZ3-CD1 3.99Å; W59-Y74 HydrophobicContact CZ3-CD1 3.99Å; W59-Y74 AromaticContact CZ3-CE1 3.87Å; W59-Y74 HydrophobicContact CZ3-CE1 3.87Å
60D97Very high91.7Very high3 Ų356.3 Ų56.32%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-83.7108.1169.2176.241.2000109.1K18 S19 V22 T37 A40 S41K18-D60 WeakPolarHBondContact CB-OD1 3.41Å; S19-D60 WeakPolarHBondContact CA-OD2 3.35Å; S19-D60 VanDerWaalsContact CB-OD2 3.24Å; S19-D60 WeakPolarHBondContact CB-OD2 3.33Å; S19-D60 PolarHBondContact N-OD1 2.69Å; S19-D60 PolarHBondContact OG-OD1 3.18Å; S19-D60 PolarHBondContact OG-OD2 3.28Å; V22-D60 HydrophobicContact CG2-CB 4.2Å; T37-D60 PolarHBondContact OG1-OD2 3.45Å; T37-D60 VanDerWaalsContact OG1-OD2 3.05Å; A40-D60 CarbonylContact C-O 3.6Å; A40-D60 WeakPolarHBondContact CA-O 3.36Å; A40-D60 WeakPolarHBondContact CB-O 3.3Å; S41-D60 PolarHBondContact N-O 3.12Å; S41-D60 PolarHBondContact O-N 3.27Å
61T94.6Very high91.8Very high3 Ų349.8 Ų49.82%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-92.5151.5-176.8790000111.8L10 L11 K18 Y74L10-T61 VanDerWaalsContact O-CG2 3.32Å; L10-T61 WeakPolarHBondContact O-CG2 3.33Å; L10-T61 PolarHBondContact O-OG1 3.01Å; L11-T61 HydrophobicContact CD2-CG2 4.29Å; K18-T61 WeakPolarHBondContact CE-O 3.3Å; T61-Y74 HydrophobicContact CG2-CD1 4.38Å; T61-Y74 HydrophobicContact CG2-CD2 3.4Å; T61-Y74 HydrophobicContact CG2-CE2 4.11Å; T61-Y74 HydrophobicContact CG2-CG 3.56Å
62A90.6Very high92Very high7 Ų745.8 Ų45.86%0.05823%0.229CC..  trans-61139.8167.200000110.1T37 G39 F67T37-A62 WeakPolarHBondContact O-CB 3.19Å; G39-A62 WeakPolarHBondContact O-CB 3.4Å; G39-A62 PolarHBondContact O-N 2.75Å; A62-F67 HydrophobicContact CB-CB 3.99Å; A62-F67 HydrophobicContact CB-CD2 3.53Å; A62-F67 HydrophobicContact CB-CE2 4.35Å; A62-F67 HydrophobicContact CB-CG 4.06Å
63G80.6Confident92Very high12 Ų1249.4 Ų49.412%0.12425%0.248CC..  trans-977.2173.600000113.7G12 T14G12-G63 WeakPolarHBondContact O-CA 3.5Å; T14-G63 PolarHBondContact N-O 2.9Å; T14-G63 VanDerWaalsContact N-O 3.15Å; T14-G63 PolarHBondContact OG1-O 3.45Å
64Q86.3Confident92Very high38 Ų3847.9 Ų47.918%0.17824%0.238CC..SBendtrans-79.9137.3-179.1-62.7174.17.100108.5T14 R66 F67 R68T14-Q64 HydrophobicContact CG2-CG 4.32Å; T14-Q64 VanDerWaalsContact OG1-CA 3.31Å; T14-Q64 WeakPolarHBondContact OG1-CA 3.27Å; T14-Q64 VanDerWaalsContact OG1-CG 3.31Å; T14-Q64 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q64 PolarHBondContact OG1-N 3.16Å; Q64-R66 HydrophobicContact CB-CG 4.17Å; Q64-R66 PolarHBondContact O-N 3.19Å; Q64-R66 VanDerWaalsContact O-N 3.16Å; Q64-R66 VanDerWaalsContact OE1-CZ 3.26Å; Q64-R66 VanDerWaalsContact OE1-NH2 3.16Å; Q64-F67 HydrophobicContact CB-CD2 4.01Å; Q64-F67 PolarHBondContact O-N 3.17Å; Q64-R68 PolarHBondContact O-N 2.87Å
65E80.8Confident91.9Very high153 Ų15347.9 Ų47.972%0.71524%0.238SC*.G310 helixtrans-55.4-36.5-177.366.5-67.9155.100112.6F67 R68E65-F67 PolarHBondContact O-N 3.36Å; E65-F67 VanDerWaalsContact O-N 3.11Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 3.04Å
66R85.6Confident91.8Very high163 Ų16354.5 Ų54.562%0.61526%0.262SS*.G310 helixtrans-60.2-22.5176.971.9-177.2-175.1170.53.5114.4Q64Q64-R66 HydrophobicContact CB-CG 4.17Å; Q64-R66 PolarHBondContact O-N 3.19Å; Q64-R66 VanDerWaalsContact O-N 3.16Å; Q64-R66 VanDerWaalsContact OE1-CZ 3.26Å; Q64-R66 VanDerWaalsContact OE1-NH2 3.16Å
67F87.1Confident91.6Very high42 Ų4257.4 Ų57.418%0.18429%0.291CS..G310 helixtrans-102.2-1.6176.8-61-58.7000113I38 A62 Q64 E65 A69 L70I38-F67 HydrophobicContact CG2-CE2 4.35Å; I38-F67 HydrophobicContact CG2-CZ 3.86Å; A62-F67 HydrophobicContact CB-CB 3.99Å; A62-F67 HydrophobicContact CB-CD2 3.53Å; A62-F67 HydrophobicContact CB-CE2 4.35Å; A62-F67 HydrophobicContact CB-CG 4.06Å; Q64-F67 HydrophobicContact CB-CD2 4.01Å; Q64-F67 PolarHBondContact O-N 3.17Å; E65-F67 PolarHBondContact O-N 3.36Å; E65-F67 VanDerWaalsContact O-N 3.11Å; F67-A69 VanDerWaalsContact C-N 3.25Å; F67-A69 PolarHBondContact O-N 3.47Å; F67-L70 HydrophobicContact CD1-CD1 4.09Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.32Å; F67-L70 PolarHBondContact O-N 3.48Å
68R86.1Confident91.5Very high67 Ų6756.1 Ų56.125%0.25329%0.285SS..G310 helixtrans-57.8-37.4-176.2-173.8165.3-165.3133.87.1112.9Q64 E65 L70 A71 W99 E102Q64-R68 PolarHBondContact O-N 2.87Å; E65-R68 WeakPolarHBondContact O-CB 3.48Å; E65-R68 PolarHBondContact O-N 3.04Å; R68-L70 PolarHBondContact O-N 2.84Å; R68-A71 VanDerWaalsContact O-CB 3.26Å; R68-A71 WeakPolarHBondContact O-CB 3.42Å; R68-A71 PolarHBondContact O-N 2.98Å; R68-W99 HydrophobicContact CB-CH2 4.4Å; R68-W99 HydrophobicContact CG-CH2 3.68Å; R68-W99 HydrophobicContact CG-CZ2 4.3Å; R68-W99 HydrophobicContact CG-CZ3 4.16Å; R68-E102 IonicContact CZ-OE2 2.73Å; R68-E102 IonicContact NE-OE2 2.66Å; R68-E102 PolarHBondContact NE-OE2 2.82Å; R68-E102 IonicContact NH2-OE2 3.18Å; R68-E102 PolarHBondContact NH2-OE2 3.12Å
69A89.3Confident91.4Very high93 Ų9357.7 Ų57.777%0.76930%0.298SS*.G310 helixtrans-60.8-16.5176.500000114F67 P72F67-A69 VanDerWaalsContact C-N 3.25Å; F67-A69 PolarHBondContact O-N 3.47Å; A69-P72 WeakPolarHBondContact O-CD 3.29Å
70L91.9Very high91.4Very high71 Ų7154 Ų5437%0.37228%0.284SS..G310 helixtrans-86.2-17175.7-58.1179.8000112.8F67 R68 P72 M73 Y74F67-L70 HydrophobicContact CD1-CD1 4.09Å; F67-L70 VanDerWaalsContact O-CB 3.28Å; F67-L70 WeakPolarHBondContact O-CB 3.32Å; F67-L70 PolarHBondContact O-N 3.48Å; R68-L70 PolarHBondContact O-N 2.84Å; L70-P72 VanDerWaalsContact C-N 3.27Å; L70-P72 VanDerWaalsContact O-N 3.08Å; L70-M73 HydrophobicContact CB-SD 3.84Å; L70-M73 HydrophobicContact CD2-SD 4.13Å; L70-M73 HydrophobicContact CG-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.41Å; L70-M73 WeakPolarHBondContact O-CG 3.37Å; L70-M73 PolarHBondContact O-N 3.4Å; L70-Y74 HydrophobicContact CB-CE2 3.93Å
71A91.2Very high91.5Very high3 Ų353.8 Ų53.83%0.02528%0.283CS..Hα-helixtrans-47.6-40.9-178.400000114.6L11 R68 M73 Y74 Y75 W99L11-A71 HydrophobicContact CD2-CB 4.25Å; R68-A71 VanDerWaalsContact O-CB 3.26Å; R68-A71 WeakPolarHBondContact O-CB 3.42Å; R68-A71 PolarHBondContact O-N 2.98Å; A71-M73 PolarHBondContact O-N 3.34Å; A71-M73 VanDerWaalsContact O-N 3.14Å; A71-Y74 PolarHBondContact O-N 3.02Å; A71-Y75 HydrophobicContact CB-CE1 4.18Å; A71-Y75 WeakPolarHBondContact O-CD1 3.35Å; A71-Y75 WeakPolarHBondContact O-CE1 3.49Å; A71-Y75 PolarHBondContact O-N 3.11Å; A71-W99 HydrophobicContact CB-CH2 4.25Å; A71-W99 HydrophobicContact CB-CZ3 3.67Å
72P93.8Very high91.7Very high54 Ų5453.7 Ų53.735%0.35128%0.282SS..Hα-helixtrans-55.6-31.3176.4-23.131.5000115.9A69 L70 Y74 Y75 R76A69-P72 WeakPolarHBondContact O-CD 3.29Å; L70-P72 VanDerWaalsContact C-N 3.27Å; L70-P72 VanDerWaalsContact O-N 3.08Å; P72-Y74 VanDerWaalsContact C-N 3.28Å; P72-Y74 PolarHBondContact O-N 2.98Å; P72-Y75 WeakPolarHBondContact CA-OH 3.33Å; P72-Y75 HydrophobicContact CB-CE1 4.4Å; P72-Y75 HydrophobicContact CB-CE2 4.16Å; P72-Y75 WeakPolarHBondContact CB-OH 3.42Å; P72-Y75 HydrophobicContact CG-CE1 4.43Å; P72-Y75 WeakPolarHBondContact CG-OH 3.47Å; P72-R76 WeakPolarHBondContact O-CB 3.33Å; P72-R76 PolarHBondContact O-N 3.47Å
73M94.2Very high92.1Very high108 Ų10853.3 Ų53.353%0.53228%0.28SS..Hα-helixtrans-69.3-30.2178.886.5-164.5-82.900111.9L70 A71L70-M73 HydrophobicContact CB-SD 3.84Å; L70-M73 HydrophobicContact CD2-SD 4.13Å; L70-M73 HydrophobicContact CG-SD 4.42Å; L70-M73 WeakPolarHBondContact O-CB 3.41Å; L70-M73 WeakPolarHBondContact O-CG 3.37Å; L70-M73 PolarHBondContact O-N 3.4Å; A71-M73 PolarHBondContact O-N 3.34Å; A71-M73 VanDerWaalsContact O-N 3.14Å
74Y94.4Very high93Very high18 Ų1852.8 Ų52.87%0.07127%0.274CS..Hα-helixtrans-84.3-42-173.3-59.2-57.9000112.2K7 A40 W59 T61 L70 A71 P72 R76 S78K7-Y74 WeakPolarHBondContact CE-O 3.33Å; K7-Y74 PolarHBondContact NZ-O 3.02Å; K7-Y74 VanDerWaalsContact NZ-O 3.09Å; A40-Y74 HydrophobicContact CB-CD1 4Å; A40-Y74 HydrophobicContact CB-CE1 3.3Å; A40-Y74 HydrophobicContact CB-CE2 3.98Å; A40-Y74 WeakPolarHBondContact CB-OH 3.29Å; W59-Y74 HydrophobicContact CD2-CD1 4.09Å; W59-Y74 AromaticContact CE3-CD1 3.48Å; W59-Y74 HydrophobicContact CE3-CD1 3.48Å; W59-Y74 VanDerWaalsContact CE3-CD1 3.48Å; W59-Y74 AromaticContact CE3-CE1 3.72Å; W59-Y74 HydrophobicContact CE3-CE1 3.72Å; W59-Y74 AromaticContact CZ3-CD1 3.99Å; W59-Y74 HydrophobicContact CZ3-CD1 3.99Å; W59-Y74 AromaticContact CZ3-CE1 3.87Å; W59-Y74 HydrophobicContact CZ3-CE1 3.87Å; T61-Y74 HydrophobicContact CG2-CD1 4.38Å; T61-Y74 HydrophobicContact CG2-CD2 3.4Å; T61-Y74 HydrophobicContact CG2-CE2 4.11Å; T61-Y74 HydrophobicContact CG2-CG 3.56Å; L70-Y74 HydrophobicContact CB-CE2 3.93Å; A71-Y74 PolarHBondContact O-N 3.02Å; P72-Y74 VanDerWaalsContact C-N 3.28Å; P72-Y74 PolarHBondContact O-N 2.98Å; Y74-R76 VanDerWaalsContact C-N 3.32Å; Y74-S78 PolarHBondContact O-OG 2.85Å; Y74-S78 VanDerWaalsContact O-OG 3.08Å
75Y95.3Very high93.6Very high3 Ų351 Ų511%0.01227%0.265CS..Hα-helixtrans-80.7-9.917759.5-116000114C9 L11 A71 P72 G77 S78 L103 H106 P108C9-Y75 VanDerWaalsContact SG-CB 3.53Å; L11-Y75 HydrophobicContact CD1-CD1 4.11Å; A71-Y75 HydrophobicContact CB-CE1 4.18Å; A71-Y75 WeakPolarHBondContact O-CD1 3.35Å; A71-Y75 WeakPolarHBondContact O-CE1 3.49Å; A71-Y75 PolarHBondContact O-N 3.11Å; P72-Y75 WeakPolarHBondContact CA-OH 3.33Å; P72-Y75 HydrophobicContact CB-CE1 4.4Å; P72-Y75 HydrophobicContact CB-CE2 4.16Å; P72-Y75 WeakPolarHBondContact CB-OH 3.42Å; P72-Y75 HydrophobicContact CG-CE1 4.43Å; P72-Y75 WeakPolarHBondContact CG-OH 3.47Å; Y75-G77 PolarHBondContact O-N 3.34Å; Y75-G77 VanDerWaalsContact O-N 3.15Å; Y75-S78 WeakPolarHBondContact CA-OG 3.2Å; Y75-S78 WeakPolarHBondContact O-CB 3.46Å; Y75-S78 PolarHBondContact O-N 3.48Å; Y75-L103 HydrophobicContact CD1-CD1 3.7Å; Y75-L103 HydrophobicContact CD2-CD1 3.94Å; Y75-L103 HydrophobicContact CE1-CD1 4.27Å; Y75-L103 HydrophobicContact CE2-CD1 4.5Å; Y75-L103 HydrophobicContact CG-CD1 3.49Å; Y75-L103 VanDerWaalsContact CG-CD1 3.49Å; Y75-H106 HydrophobicContact CE2-CB 4.16Å; Y75-H106 WeakPolarHBondContact OH-CB 3.5Å; Y75-P108 VanDerWaalsContact O-CD 3.32Å; Y75-P108 WeakPolarHBondContact O-CD 3.26Å; Y75-P108 WeakPolarHBondContact O-CG 3.49Å
76R95.2Very high94.4Very high197 Ų19743.7 Ų43.774%0.74323%0.231SC*.THydrogen-bonded Turntrans-59.3119.2173.7-177.1-179.4177.799.1-0.3110.4K7 P72 Y74 S78K7-R76 PolarHBondContact NZ-O 3.01Å; P72-R76 WeakPolarHBondContact O-CB 3.33Å; P72-R76 PolarHBondContact O-N 3.47Å; Y74-R76 VanDerWaalsContact C-N 3.32Å; R76-S78 PolarHBondContact O-N 2.8Å
77G93.9Very high95.1Very high61 Ų6136 Ų3663%0.62920%0.202SC*.THydrogen-bonded Turntrans71.910.2-179.100000114.5Y75Y75-G77 PolarHBondContact O-N 3.34Å; Y75-G77 VanDerWaalsContact O-N 3.15Å
78S97.3Very high95.6Very high5 Ų534.9 Ų34.94%0.03520%0.199CC..  trans-71.4137.6172.1-670000110.7K7 Y74 Y75 R76 A80K7-S78 WeakPolarHBondContact CE-OG 3.24Å; K7-S78 CarbonylContact O-C 3.58Å; K7-S78 WeakPolarHBondContact O-CA 3.25Å; Y74-S78 PolarHBondContact O-OG 2.85Å; Y74-S78 VanDerWaalsContact O-OG 3.08Å; Y75-S78 WeakPolarHBondContact CA-OG 3.2Å; Y75-S78 WeakPolarHBondContact O-CB 3.46Å; Y75-S78 PolarHBondContact O-N 3.48Å; R76-S78 PolarHBondContact O-N 2.8Å; S78-A80 WeakPolarHBondContact CB-O 3.49Å
79A97.2Very high96.2Very high32 Ų3236.6 Ų36.626%0.26421%0.208SC..SBendtrans-75.7-31.917100000111.3K7 V112 I166K7-A79 PolarHBondContact O-N 2.8Å; A79-V112 PolarHBondContact O-N 3.09Å; A79-I166 HydrophobicContact CB-CD1 3.83Å
80A98.3Very high96.6Very high0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-141.7156.3174.700000112.9K7 V8 C9 S78 V112 I162 I166K7-A80 PolarHBondContact O-N 2.61Å; V8-A80 WeakPolarHBondContact CA-O 3.36Å; V8-A80 HydrophobicContact CG1-CB 4.49Å; V8-A80 HydrophobicContact CG2-CB 4.15Å; C9-A80 PolarHBondContact N-O 2.88Å; S78-A80 WeakPolarHBondContact CB-O 3.49Å; A80-V112 CarbonylContact C-O 3.58Å; A80-V112 WeakPolarHBondContact CA-O 3.28Å; A80-V112 HydrophobicContact CB-CB 3.89Å; A80-V112 HydrophobicContact CB-CG1 4.31Å; A80-V112 WeakPolarHBondContact CB-O 3.32Å; A80-I162 HydrophobicContact CB-CD1 4.5Å; A80-I162 HydrophobicContact CB-CG1 4.44Å; A80-I162 HydrophobicContact CB-CG2 3.58Å; A80-I166 HydrophobicContact CB-CD1 4.47Å
81A98.5Very high96.9Very high0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-123.8132.6166.200000109.6C9 L103 I111 V112 A114C9-A81 CarbonylContact O-C 3.51Å; C9-A81 WeakPolarHBondContact O-CA 3.2Å; A81-L103 HydrophobicContact CB-CD1 4.33Å; A81-L103 HydrophobicContact CB-CD2 3.45Å; A81-L103 VanDerWaalsContact CB-CD2 3.45Å; A81-I111 HydrophobicContact CB-CD1 3.71Å; A81-I111 HydrophobicContact CB-CG1 4.47Å; A81-V112 PolarHBondContact N-O 3.23Å; A81-A114 PolarHBondContact O-N 2.92Å
82I98.8Very high97.3Very high0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-101.3116.5171.8-57.9171.1000106.9V8 C9 L10 L11 V84 A114 A116 L158 F159 I162V8-I82 HydrophobicContact CG1-CD1 3.81Å; V8-I82 HydrophobicContact CG1-CG1 3.9Å; C9-I82 PolarHBondContact O-N 3.24Å; L10-I82 CarbonylContact C-O 3.59Å; L10-I82 VanDerWaalsContact CA-O 3.28Å; L10-I82 WeakPolarHBondContact CA-O 3.47Å; L10-I82 HydrophobicContact CG-CB 4.18Å; L10-I82 HydrophobicContact CG-CD1 4.47Å; L11-I82 PolarHBondContact N-O 3.27Å; I82-V84 HydrophobicContact CG2-CG2 3.85Å; I82-A114 CarbonylContact C-O 3.47Å; I82-A114 WeakPolarHBondContact CA-O 3.47Å; I82-A114 HydrophobicContact CG1-CB 4.38Å; I82-A116 HydrophobicContact CG2-CB 3.99Å; I82-L158 HydrophobicContact CD1-CD2 4.12Å; I82-L158 HydrophobicContact CD1-CG 4.3Å; I82-L158 HydrophobicContact CG2-CD2 3.93Å; I82-F159 HydrophobicContact CD1-CD1 4.46Å; I82-F159 HydrophobicContact CD1-CE1 3.83Å; I82-F159 HydrophobicContact CD1-CZ 3.9Å; I82-I162 HydrophobicContact CD1-CD1 3.66Å; I82-I162 HydrophobicContact CG1-CD1 3.56Å
83I98.7Very high97.5Very high0 Ų040 Ų400%020%0.202CC..EExtended strand (participates in β ladder)trans-105.3115.2178.2-46.5174.7000107.5L11 L96 W99 V100 L103 V113 A114 I115 A116L11-I83 HydrophobicContact CB-CG1 4.41Å; L11-I83 HydrophobicContact CB-CG2 4.47Å; L11-I83 WeakPolarHBondContact O-CA 3.42Å; I83-L96 HydrophobicContact CB-CD1 4.14Å; I83-L96 HydrophobicContact CB-CG 4.31Å; I83-L96 HydrophobicContact CG2-CB 4.34Å; I83-L96 HydrophobicContact CG2-CD1 3.77Å; I83-L96 HydrophobicContact CG2-CG 3.6Å; I83-L96 WeakPolarHBondContact O-CD1 3.32Å; I83-W99 HydrophobicContact CG2-CB 3.75Å; I83-W99 HydrophobicContact CG2-CG 4.37Å; I83-V100 HydrophobicContact CD1-CB 4.28Å; I83-V100 HydrophobicContact CD1-CG2 3.49Å; I83-V100 VanDerWaalsContact CD1-CG2 3.49Å; I83-L103 HydrophobicContact CD1-CD2 4.12Å; I83-V113 HydrophobicContact CD1-CG1 3.94Å; I83-A114 PolarHBondContact N-O 3.12Å; I83-I115 WeakPolarHBondContact O-CA 3.37Å; I83-A116 PolarHBondContact O-N 3.34Å
84V98.9Very high97.7Very high1 Ų137.5 Ų37.51%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-104135.5-169.4-170.20000109.7L10 L11 V16 K18 I21 I82 A116 N118L10-V84 HydrophobicContact CD2-CG2 4.4Å; L11-V84 PolarHBondContact O-N 3.3Å; V16-V84 HydrophobicContact CB-CG1 4.22Å; V16-V84 HydrophobicContact CG2-CB 3.81Å; V16-V84 HydrophobicContact CG2-CG1 3.81Å; K18-V84 HydrophobicContact CG-CB 3.94Å; K18-V84 HydrophobicContact CG-CG2 3.84Å; I21-V84 HydrophobicContact CD1-CG1 3.78Å; I21-V84 HydrophobicContact CD1-CG2 4.06Å; I82-V84 HydrophobicContact CG2-CG2 3.85Å; V84-A116 WeakPolarHBondContact CA-O 3.09Å; V84-A116 HydrophobicContact CG1-CB 4.41Å; V84-A116 HydrophobicContact CG2-CB 4.22Å; V84-N118 HydrophobicContact CG1-CB 3.81Å
85Y98.9Very high97.8Very high0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-126164.9166.875.2-81.4000110.3I87 F93 L96 I115 A116 N118 V128 A133 F144Y85-I87 HydrophobicContact CE2-CB 4.44Å; Y85-I87 HydrophobicContact CE2-CG2 3.83Å; Y85-F93 AromaticContact CD1-CD2 3.98Å; Y85-F93 HydrophobicContact CD1-CD2 3.98Å; Y85-F93 HydrophobicContact CD2-CB 3.81Å; Y85-F93 HydrophobicContact CD2-CD2 4.01Å; Y85-F93 HydrophobicContact CD2-CG 4.34Å; Y85-F93 AromaticContact CE1-CD2 3.98Å; Y85-F93 HydrophobicContact CE1-CD2 3.98Å; Y85-F93 HydrophobicContact CE1-CE2 4.37Å; Y85-F93 HydrophobicContact CE2-CB 4.32Å; Y85-F93 HydrophobicContact CE2-CD2 4.05Å; Y85-F93 HydrophobicContact CE2-CG 4.48Å; Y85-F93 HydrophobicContact CG-CB 4.19Å; Y85-F93 AromaticContact CG-CD2 3.99Å; Y85-F93 HydrophobicContact CG-CD2 3.99Å; Y85-L96 HydrophobicContact CD1-CD1 3.65Å; Y85-L96 HydrophobicContact CG-CD1 4.23Å; Y85-I115 HydrophobicContact CD1-CG2 3.96Å; Y85-I115 HydrophobicContact CE1-CG2 3.71Å; Y85-A116 WeakPolarHBondContact CD1-O 3.39Å; Y85-A116 PolarHBondContact N-O 3.44Å; Y85-N118 WeakPolarHBondContact O-CB 3.47Å; Y85-N118 PolarHBondContact O-N 3Å; Y85-V128 HydrophobicContact CD2-CG2 4.42Å; Y85-V128 HydrophobicContact CE2-CB 3.93Å; Y85-V128 HydrophobicContact CE2-CG1 3.77Å; Y85-V128 HydrophobicContact CE2-CG2 4.15Å; Y85-A133 HydrophobicContact CE1-CB 4.3Å; Y85-A133 WeakPolarHBondContact OH-CB 3.38Å; Y85-F144 HydrophobicContact CE1-CE2 4.23Å
86D98.8Very high97.9Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-98.5121175.4-173.8-7.4000108.9V16 T88 K89 T92 K119V16-D86 HydrophobicContact CB-CB 4.46Å; V16-D86 HydrophobicContact CG1-CB 4.4Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 VanDerWaalsContact O-N 3.11Å; D86-T88 PolarHBondContact OD1-N 3.1Å; D86-T88 VanDerWaalsContact OD1-N 3.13Å; D86-T88 PolarHBondContact OD1-OG1 2.84Å; D86-T88 VanDerWaalsContact OD1-OG1 3.05Å; D86-T88 PolarHBondContact OD2-OG1 2.83Å; D86-K89 HydrophobicContact CB-CB 4.24Å; D86-K89 HydrophobicContact CB-CG 4.38Å; D86-K89 PolarHBondContact O-N 3.18Å; D86-K89 VanDerWaalsContact O-N 3.08Å; D86-T92 HydrophobicContact CB-CG2 4.35Å; D86-T92 PolarHBondContact N-OG1 2.73Å; D86-T92 PolarHBondContact O-OG1 2.69Å; D86-K119 WeakPolarHBondContact OD1-CD 3.26Å; D86-K119 VanDerWaalsContact OD2-CE 3.26Å; D86-K119 WeakPolarHBondContact OD2-CE 3.49Å; D86-K119 IonicContact OD2-NZ 2.69Å; D86-K119 PolarHBondContact OD2-NZ 2.94Å
87I98.8Very high98.1Very high0 Ų032.4 Ų32.40%018%0.181CC..THydrogen-bonded Turntrans-64.4-18-178.165.5144.2000113.1Y85 K89 N118 K119 C120 R126 E127 V128Y85-I87 HydrophobicContact CE2-CB 4.44Å; Y85-I87 HydrophobicContact CE2-CG2 3.83Å; I87-K89 VanDerWaalsContact C-N 3.31Å; I87-N118 WeakPolarHBondContact CG1-O 3.46Å; I87-N118 PolarHBondContact N-O 3.38Å; I87-K119 WeakPolarHBondContact CD1-O 3.07Å; I87-K119 WeakPolarHBondContact CG1-O 3.47Å; I87-C120 HydrophobicContact CD1-CB 4.47Å; I87-R126 HydrophobicContact CD1-CB 4.28Å; I87-R126 HydrophobicContact CD1-CG 4.27Å; I87-E127 PolarHBondContact O-N 3.48Å; I87-V128 PolarHBondContact O-N 3.35Å
88T98.7Very high98.2Very high19 Ų1933.8 Ų33.812%0.11717%0.174CC..THydrogen-bonded Turntrans-915.3179.676.70000112.9D86 L122 V125 E127D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 VanDerWaalsContact O-N 3.11Å; D86-T88 PolarHBondContact OD1-N 3.1Å; D86-T88 VanDerWaalsContact OD1-N 3.13Å; D86-T88 PolarHBondContact OD1-OG1 2.84Å; D86-T88 VanDerWaalsContact OD1-OG1 3.05Å; D86-T88 PolarHBondContact OD2-OG1 2.83Å; T88-L122 HydrophobicContact CG2-CB 3.65Å; T88-L122 HydrophobicContact CG2-CD1 3.93Å; T88-L122 HydrophobicContact CG2-CG 4.44Å; T88-V125 WeakPolarHBondContact CA-O 3.48Å; T88-V125 VanDerWaalsContact CB-O 3.32Å; T88-V125 WeakPolarHBondContact CB-O 3.48Å; T88-V125 HydrophobicContact CG2-CG2 3.73Å; T88-E127 WeakPolarHBondContact O-CG 3.35Å
89K98.5Very high98.2Very high103 Ų10333.8 Ų33.845%0.44817%0.173SC..  trans-14199.8-178.2-59.4-173.1-179.7-170.60111.6D86 I87 E91 T92 E127D86-K89 HydrophobicContact CB-CB 4.24Å; D86-K89 HydrophobicContact CB-CG 4.38Å; D86-K89 PolarHBondContact O-N 3.18Å; D86-K89 VanDerWaalsContact O-N 3.08Å; I87-K89 VanDerWaalsContact C-N 3.31Å; K89-E91 PolarHBondContact O-N 3.34Å; K89-T92 HydrophobicContact CB-CG2 3.73Å; K89-T92 HydrophobicContact CD-CG2 4.21Å; K89-T92 PolarHBondContact O-N 2.78Å; K89-T92 PolarHBondContact O-OG1 3Å; K89-E127 VanDerWaalsContact CA-OE2 3.28Å; K89-E127 WeakPolarHBondContact CA-OE2 3.46Å
90E98.3Very high98.2Very high116 Ų11632.6 Ų32.654%0.54216%0.163SC..Hα-helixtrans-57.1-36.5-178.4-171.1-179.3174.100113T92 F93 S94 E127 V128E90-T92 PolarHBondContact O-N 2.88Å; E90-F93 PolarHBondContact O-N 2.89Å; E90-F93 VanDerWaalsContact O-N 3.09Å; E90-S94 PolarHBondContact O-N 2.79Å; E90-S94 PolarHBondContact O-OG 3.05Å; E90-E127 HydrophobicContact CB-CB 4.21Å; E90-E127 PolarHBondContact N-OE2 3Å; E90-V128 HydrophobicContact CB-CG2 4.39Å
91E98.3Very high98.1Very high150 Ų15039.5 Ų39.570%0.70119%0.193SC*.Hα-helixtrans-55.5-38.9176.9-173.8-177.7-17700112.1K89 F93 S94 T95K89-E91 PolarHBondContact O-N 3.34Å; E91-F93 VanDerWaalsContact C-N 3.31Å; E91-F93 PolarHBondContact O-N 3.24Å; E91-S94 WeakPolarHBondContact O-CB 3.44Å; E91-S94 PolarHBondContact O-N 3.36Å; E91-S94 VanDerWaalsContact O-N 3.15Å; E91-T95 PolarHBondContact O-N 3.01Å; E91-T95 PolarHBondContact O-OG1 2.97Å
92T98.6Very high97.9Very high14 Ų1441.4 Ų41.49%0.08620%0.201CC..Hα-helixtrans-69.5-31.1-178.470.30000112.1V16 D86 K89 E90 L96V16-T92 HydrophobicContact CG1-CG2 3.89Å; D86-T92 HydrophobicContact CB-CG2 4.35Å; D86-T92 PolarHBondContact N-OG1 2.73Å; D86-T92 PolarHBondContact O-OG1 2.69Å; K89-T92 HydrophobicContact CB-CG2 3.73Å; K89-T92 HydrophobicContact CD-CG2 4.21Å; K89-T92 PolarHBondContact O-N 2.78Å; K89-T92 PolarHBondContact O-OG1 3Å; E90-T92 PolarHBondContact O-N 2.88Å; T92-L96 WeakPolarHBondContact O-CB 3.18Å; T92-L96 PolarHBondContact O-N 3.33Å
93F98.6Very high97.8Very high14 Ų1441.4 Ų41.46%0.06120%0.202CC..Hα-helixtrans-73-35.3172.4-178.1-112.6000111.7Y85 E90 E91 L96 V128 A133 Y136Y85-F93 AromaticContact CD1-CD2 3.98Å; Y85-F93 HydrophobicContact CD1-CD2 3.98Å; Y85-F93 HydrophobicContact CD2-CB 3.81Å; Y85-F93 HydrophobicContact CD2-CD2 4.01Å; Y85-F93 HydrophobicContact CD2-CG 4.34Å; Y85-F93 AromaticContact CE1-CD2 3.98Å; Y85-F93 HydrophobicContact CE1-CD2 3.98Å; Y85-F93 HydrophobicContact CE1-CE2 4.37Å; Y85-F93 HydrophobicContact CE2-CB 4.32Å; Y85-F93 HydrophobicContact CE2-CD2 4.05Å; Y85-F93 HydrophobicContact CE2-CG 4.48Å; Y85-F93 HydrophobicContact CG-CB 4.19Å; Y85-F93 AromaticContact CG-CD2 3.99Å; Y85-F93 HydrophobicContact CG-CD2 3.99Å; E90-F93 PolarHBondContact O-N 2.89Å; E90-F93 VanDerWaalsContact O-N 3.09Å; E91-F93 VanDerWaalsContact C-N 3.31Å; E91-F93 PolarHBondContact O-N 3.24Å; F93-L96 WeakPolarHBondContact O-CB 3.42Å; F93-L96 PolarHBondContact O-N 3.35Å; F93-V128 HydrophobicContact CB-CG1 4.3Å; F93-V128 HydrophobicContact CB-CG2 3.79Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.3Å; F93-V128 HydrophobicContact CE1-CG1 4.46Å; F93-V128 HydrophobicContact CG-CG1 3.96Å; F93-V128 HydrophobicContact CG-CG2 4.34Å; F93-A133 HydrophobicContact CE2-CB 3.82Å; F93-A133 HydrophobicContact CZ-CB 4.12Å; F93-Y136 HydrophobicContact CE2-CD1 4.13Å; F93-Y136 AromaticContact CZ-CD1 3.99Å; F93-Y136 HydrophobicContact CZ-CD1 3.99Å; F93-Y136 HydrophobicContact CZ-CG 4.14Å
94S98.1Very high97.6Very high55 Ų5546.9 Ų46.939%0.38522%0.222SC..Hα-helixtrans-62.6-47.3171.9-670000111.5E90 E91 L96 K97E90-S94 PolarHBondContact O-N 2.79Å; E90-S94 PolarHBondContact O-OG 3.05Å; E91-S94 WeakPolarHBondContact O-CB 3.44Å; E91-S94 PolarHBondContact O-N 3.36Å; E91-S94 VanDerWaalsContact O-N 3.15Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.55Å; S94-K97 WeakPolarHBondContact O-CB 3.4Å; S94-K97 PolarHBondContact O-N 3.18Å
95T96.7Very high97.5Very high25 Ų2553 Ų5315%0.15325%0.251CS..Hα-helixtrans-68.6-30178.3-54.70000112.9D13 E91 K97 N98 W99D13-T95 WeakPolarHBondContact OD1-CG2 3.13Å; D13-T95 WeakPolarHBondContact OD2-CB 3.38Å; D13-T95 VanDerWaalsContact OD2-CG2 3.28Å; D13-T95 WeakPolarHBondContact OD2-CG2 3.39Å; D13-T95 PolarHBondContact OD2-OG1 3.48Å; E91-T95 PolarHBondContact O-N 3.01Å; E91-T95 PolarHBondContact O-OG1 2.97Å; T95-K97 PolarHBondContact O-N 3.04Å; T95-N98 WeakPolarHBondContact O-CB 3.26Å; T95-N98 PolarHBondContact O-N 2.88Å; T95-W99 VanDerWaalsContact O-CD1 3.31Å; T95-W99 PolarHBondContact O-N 3.41Å; T95-W99 VanDerWaalsContact O-N 3.15Å
96L97.9Very high97.2Very high1 Ų158.5 Ų58.51%0.00528%0.276CS..Hα-helixtrans-53.2-38.1171.4173148.3000112.1I83 Y85 T92 F93 S94 N98 W99 V100 I115 Y136I83-L96 HydrophobicContact CB-CD1 4.14Å; I83-L96 HydrophobicContact CB-CG 4.31Å; I83-L96 HydrophobicContact CG2-CB 4.34Å; I83-L96 HydrophobicContact CG2-CD1 3.77Å; I83-L96 HydrophobicContact CG2-CG 3.6Å; I83-L96 WeakPolarHBondContact O-CD1 3.32Å; Y85-L96 HydrophobicContact CD1-CD1 3.65Å; Y85-L96 HydrophobicContact CG-CD1 4.23Å; T92-L96 WeakPolarHBondContact O-CB 3.18Å; T92-L96 PolarHBondContact O-N 3.33Å; F93-L96 WeakPolarHBondContact O-CB 3.42Å; F93-L96 PolarHBondContact O-N 3.35Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.55Å; L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 3.37Å; L96-W99 WeakPolarHBondContact O-CB 3.37Å; L96-W99 PolarHBondContact O-N 3Å; L96-W99 VanDerWaalsContact O-N 3.12Å; L96-V100 HydrophobicContact CD2-CG2 4.01Å; L96-V100 WeakPolarHBondContact O-CG2 3.15Å; L96-V100 PolarHBondContact O-N 3.35Å; L96-I115 HydrophobicContact CD1-CG1 4.38Å; L96-I115 HydrophobicContact CD1-CG2 3.87Å; L96-I115 HydrophobicContact CD2-CD1 3.87Å; L96-I115 HydrophobicContact CD2-CG1 4.3Å; L96-Y136 HydrophobicContact CD2-CD1 4.33Å; L96-Y136 HydrophobicContact CD2-CE1 3.66Å
97K98Very high97Very high85 Ų8559.4 Ų59.437%0.3729%0.286SS..Hα-helixtrans-63.5-33.9178.7-57179.8-178170.60111.9S94 T95 V100 K101 Y136S94-K97 WeakPolarHBondContact O-CB 3.4Å; S94-K97 PolarHBondContact O-N 3.18Å; T95-K97 PolarHBondContact O-N 3.04Å; K97-V100 PolarHBondContact O-N 2.97Å; K97-K101 PolarHBondContact O-N 3.38Å; K97-Y136 HydrophobicContact CD-CE2 4.21Å; K97-Y136 HydrophobicContact CG-CE1 4.02Å; K97-Y136 HydrophobicContact CG-CE2 4.06Å
98N96.5Very high96.9Very high89 Ų8961 Ų6148%0.47630%0.296SS..Hα-helixtrans-68.5-41.3173.7-61.6-34.8000111.4T95 L96 V100 K101 E102T95-N98 WeakPolarHBondContact O-CB 3.26Å; T95-N98 PolarHBondContact O-N 2.88Å; L96-N98 VanDerWaalsContact C-N 3.25Å; L96-N98 PolarHBondContact O-N 3.37Å; N98-V100 VanDerWaalsContact C-N 3.34Å; N98-V100 PolarHBondContact O-N 2.89Å; N98-K101 PolarHBondContact O-N 3.2Å; N98-E102 WeakPolarHBondContact O-CB 3.48Å; N98-E102 PolarHBondContact O-N 3.44Å
99W96.4Very high96.5Very high5 Ų565.8 Ų65.82%0.01933%0.327CS..Hα-helixtrans-60.2-42.8173.4-73.7112.4000112.3L11 D13 R68 A71 I83 T95 L96 L103L11-W99 HydrophobicContact CB-CD2 4.41Å; L11-W99 HydrophobicContact CB-CE3 4.24Å; L11-W99 HydrophobicContact CD1-CE3 4.41Å; L11-W99 HydrophobicContact CD2-CZ3 4.3Å; D13-W99 PolarHBondContact OD1-NE1 3.07Å; R68-W99 HydrophobicContact CB-CH2 4.4Å; R68-W99 HydrophobicContact CG-CH2 3.68Å; R68-W99 HydrophobicContact CG-CZ2 4.3Å; R68-W99 HydrophobicContact CG-CZ3 4.16Å; A71-W99 HydrophobicContact CB-CH2 4.25Å; A71-W99 HydrophobicContact CB-CZ3 3.67Å; I83-W99 HydrophobicContact CG2-CB 3.75Å; I83-W99 HydrophobicContact CG2-CG 4.37Å; T95-W99 VanDerWaalsContact O-CD1 3.31Å; T95-W99 PolarHBondContact O-N 3.41Å; T95-W99 VanDerWaalsContact O-N 3.15Å; L96-W99 WeakPolarHBondContact O-CB 3.37Å; L96-W99 PolarHBondContact O-N 3Å; L96-W99 VanDerWaalsContact O-N 3.12Å; W99-L103 VanDerWaalsContact O-CB 3.26Å; W99-L103 WeakPolarHBondContact O-CB 3.4Å; W99-L103 PolarHBondContact O-N 3.18Å
100V97.6Very high96.2Very high8 Ų868 Ų685%0.04834%0.344CS..Hα-helixtrans-59.5-49.5174.1171.10000110.5I83 L96 K97 N98 E102 L103 R104 Y136 I140I83-V100 HydrophobicContact CD1-CB 4.28Å; I83-V100 HydrophobicContact CD1-CG2 3.49Å; I83-V100 VanDerWaalsContact CD1-CG2 3.49Å; L96-V100 HydrophobicContact CD2-CG2 4.01Å; L96-V100 WeakPolarHBondContact O-CG2 3.15Å; L96-V100 PolarHBondContact O-N 3.35Å; K97-V100 PolarHBondContact O-N 2.97Å; N98-V100 VanDerWaalsContact C-N 3.34Å; N98-V100 PolarHBondContact O-N 2.89Å; V100-E102 PolarHBondContact O-N 2.85Å; V100-L103 PolarHBondContact O-N 3.24Å; V100-R104 HydrophobicContact CG1-CG 4.27Å; V100-R104 WeakPolarHBondContact O-CB 3.45Å; V100-R104 VanDerWaalsContact O-CG 3.28Å; V100-R104 WeakPolarHBondContact O-CG 3.33Å; V100-R104 PolarHBondContact O-N 2.79Å; V100-Y136 HydrophobicContact CG2-CE1 4.44Å; V100-I140 HydrophobicContact CG1-CD1 3.71Å; V100-I140 HydrophobicContact CG2-CD1 4Å
101K96.4Very high96.1Very high145 Ų14562.8 Ų62.863%0.6332%0.32SS*.Hα-helixtrans-59.2-48.5-179.3-176.7-180177.1-178.20111.7K97 N98 R104 Q105K97-K101 PolarHBondContact O-N 3.38Å; N98-K101 PolarHBondContact O-N 3.2Å; K101-R104 PolarHBondContact O-N 3.06Å; K101-Q105 WeakPolarHBondContact O-CB 3.5Å; K101-Q105 PolarHBondContact O-N 2.85Å
102E94.6Very high96.1Very high39 Ų3956.5 Ų56.518%0.18229%0.292CS..Hα-helixtrans-59.5-47177.9-172.6-175.5148.300111.3R68 N98 V100 R104 Q105 H106R68-E102 IonicContact CZ-OE2 2.73Å; R68-E102 IonicContact NE-OE2 2.66Å; R68-E102 PolarHBondContact NE-OE2 2.82Å; R68-E102 IonicContact NH2-OE2 3.18Å; R68-E102 PolarHBondContact NH2-OE2 3.12Å; N98-E102 WeakPolarHBondContact O-CB 3.48Å; N98-E102 PolarHBondContact O-N 3.44Å; V100-E102 PolarHBondContact O-N 2.85Å; E102-R104 PolarHBondContact O-N 3.15Å; E102-Q105 PolarHBondContact O-N 3.21Å; E102-H106 PolarHBondContact O-N 2.83Å
103L96.7Very high96Very high1 Ų156 Ų561%0.00529%0.288CS..Hα-helixtrans-62.4-42.2178-178.668.5000112.2L11 Y75 A81 I83 W99 V100 Q105 G107 I111 V113L11-L103 HydrophobicContact CD1-CD1 4.32Å; Y75-L103 HydrophobicContact CD1-CD1 3.7Å; Y75-L103 HydrophobicContact CD2-CD1 3.94Å; Y75-L103 HydrophobicContact CE1-CD1 4.27Å; Y75-L103 HydrophobicContact CE2-CD1 4.5Å; Y75-L103 HydrophobicContact CG-CD1 3.49Å; Y75-L103 VanDerWaalsContact CG-CD1 3.49Å; A81-L103 HydrophobicContact CB-CD1 4.33Å; A81-L103 HydrophobicContact CB-CD2 3.45Å; A81-L103 VanDerWaalsContact CB-CD2 3.45Å; I83-L103 HydrophobicContact CD1-CD2 4.12Å; W99-L103 VanDerWaalsContact O-CB 3.26Å; W99-L103 WeakPolarHBondContact O-CB 3.4Å; W99-L103 PolarHBondContact O-N 3.18Å; V100-L103 PolarHBondContact O-N 3.24Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.41Å; L103-G107 WeakPolarHBondContact O-CA 3.39Å; L103-G107 PolarHBondContact O-N 3.37Å; L103-I111 HydrophobicContact CD1-CD1 4.01Å; L103-I111 HydrophobicContact CD2-CD1 4.38Å; L103-I111 HydrophobicContact CD2-CG2 4.27Å; L103-I111 HydrophobicContact CG-CG2 4.3Å; L103-V113 HydrophobicContact CD2-CG2 3.95Å
104R95.2Very high96.1Very high114 Ų11455.3 Ų55.343%0.4329%0.286SS..Hα-helixtrans-67.9-31.2177.8-69.8-66.9-168.5-163.82.5112.1V100 K101 E102 I140V100-R104 HydrophobicContact CG1-CG 4.27Å; V100-R104 WeakPolarHBondContact O-CB 3.45Å; V100-R104 VanDerWaalsContact O-CG 3.28Å; V100-R104 WeakPolarHBondContact O-CG 3.33Å; V100-R104 PolarHBondContact O-N 2.79Å; K101-R104 PolarHBondContact O-N 3.06Å; E102-R104 PolarHBondContact O-N 3.15Å; R104-I140 PolarHBondContact NH2-O 3.21Å; R104-I140 VanDerWaalsContact NH2-O 3.12Å
105Q95.1Very high96.1Very high131 Ų13152.7 Ų52.761%0.61227%0.267SS*.Hα-helixtrans-76.9-36.5-179.8-173.7175.8-3.600113K101 E102 L103K101-Q105 WeakPolarHBondContact O-CB 3.5Å; K101-Q105 PolarHBondContact O-N 2.85Å; E102-Q105 PolarHBondContact O-N 3.21Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 3.41Å
106H94.1Very high96.2Very high115 Ų11551.5 Ų51.553%0.53226%0.26SS..Hα-helixtrans-123-12.5-168.4-62.6-61.3000114.4Y75 E102Y75-H106 HydrophobicContact CE2-CB 4.16Å; Y75-H106 WeakPolarHBondContact OH-CB 3.5Å; E102-H106 PolarHBondContact O-N 2.83Å
107G95Very high96.2Very high19 Ų1951.5 Ų51.520%0.19626%0.26CS..SBendtrans-81.7176.8-178.700000113.8L103L103-G107 WeakPolarHBondContact O-CA 3.39Å; L103-G107 PolarHBondContact O-N 3.37Å
108P95.3Very high96.3Very high32 Ų3247.6 Ų47.621%0.20824%0.243CC..  trans-59.3138.8174.5-19.531.7000111Y75 N110 I111Y75-P108 VanDerWaalsContact O-CD 3.32Å; Y75-P108 WeakPolarHBondContact O-CD 3.26Å; Y75-P108 WeakPolarHBondContact O-CG 3.49Å; P108-N110 PolarHBondContact O-N 3.04Å; P108-I111 HydrophobicContact CB-CB 4.21Å; P108-I111 HydrophobicContact CG-CB 4.41Å; P108-I111 HydrophobicContact CG-CD1 4.48Å; P108-I111 WeakPolarHBondContact O-CB 3.41Å; P108-I111 VanDerWaalsContact O-CG2 3.27Å; P108-I111 WeakPolarHBondContact O-CG2 3.45Å; P108-I111 PolarHBondContact O-N 3.4Å; P108-I111 VanDerWaalsContact O-N 3.17Å
109P90.9Very high96.4Very high120 Ų12045.9 Ų45.978%0.77923%0.231SC*.THydrogen-bonded Turntrans-61.9-32.1-173.822.9-33.6000113.3
110N91.1Very high96.5Very high150 Ų15046.6 Ų46.680%0.80224%0.237SC*.THydrogen-bonded Turntrans-105.222.8-177.7-60.7-31.8000112.8P108 V112P108-N110 PolarHBondContact O-N 3.04Å; N110-V112 PolarHBondContact O-N 3.44Å
111I96.3Very high96.5Very high7 Ų748 Ų484%0.03624%0.244CC..PPolyproline II helixtrans-66.1128.8178.5-164.2172.2000110.4A81 L103 P108 V113A81-I111 HydrophobicContact CB-CD1 3.71Å; A81-I111 HydrophobicContact CB-CG1 4.47Å; L103-I111 HydrophobicContact CD1-CD1 4.01Å; L103-I111 HydrophobicContact CD2-CD1 4.38Å; L103-I111 HydrophobicContact CD2-CG2 4.27Å; L103-I111 HydrophobicContact CG-CG2 4.3Å; P108-I111 HydrophobicContact CB-CB 4.21Å; P108-I111 HydrophobicContact CG-CB 4.41Å; P108-I111 HydrophobicContact CG-CD1 4.48Å; P108-I111 WeakPolarHBondContact O-CB 3.41Å; P108-I111 VanDerWaalsContact O-CG2 3.27Å; P108-I111 WeakPolarHBondContact O-CG2 3.45Å; P108-I111 PolarHBondContact O-N 3.4Å; P108-I111 VanDerWaalsContact O-N 3.17Å; I111-V113 HydrophobicContact CG2-CG2 4.31Å; I111-V113 PolarHBondContact O-N 3.2Å
112V98Very high96.6Very high18 Ų1844.2 Ų44.211%0.10923%0.23CC..EExtended strand (participates in β ladder)trans-70.2125.9169.81730000108.3A79 A80 A81 N110 I143 R165 I166A79-V112 PolarHBondContact O-N 3.09Å; A80-V112 CarbonylContact C-O 3.58Å; A80-V112 WeakPolarHBondContact CA-O 3.28Å; A80-V112 HydrophobicContact CB-CB 3.89Å; A80-V112 HydrophobicContact CB-CG1 4.31Å; A80-V112 WeakPolarHBondContact CB-O 3.32Å; A81-V112 PolarHBondContact N-O 3.23Å; N110-V112 PolarHBondContact O-N 3.44Å; V112-I143 HydrophobicContact CG1-CD1 3.64Å; V112-R165 HydrophobicContact CG1-CB 3.96Å; V112-R165 HydrophobicContact CG1-CG 3.84Å; V112-R165 HydrophobicContact CG2-CB 4.17Å; V112-R165 HydrophobicContact CG2-CG 3.9Å; V112-I166 HydrophobicContact CB-CG1 4.47Å; V112-I166 HydrophobicContact CG2-CG1 3.79Å
113V98.4Very high96.7Very high3 Ų347.6 Ų47.62%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-103127.9176.4-177.30000108.4I83 L103 I111 A142 I143I83-V113 HydrophobicContact CD1-CG1 3.94Å; L103-V113 HydrophobicContact CD2-CG2 3.95Å; I111-V113 HydrophobicContact CG2-CG2 4.31Å; I111-V113 PolarHBondContact O-N 3.2Å; V113-A142 HydrophobicContact CB-CB 4.12Å; V113-A142 HydrophobicContact CG1-CB 3.98Å; V113-A142 CarbonylContact O-C 3.56Å; V113-A142 VanDerWaalsContact O-CA 3.29Å; V113-A142 WeakPolarHBondContact O-CA 3.26Å; V113-A142 WeakPolarHBondContact O-CB 3.33Å; V113-I143 PolarHBondContact O-N 3.05Å
114A98.8Very high96.7Very high0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-120133.7170.800000109.6A81 I82 I83 I143 L158 I162A81-A114 PolarHBondContact O-N 2.92Å; I82-A114 CarbonylContact C-O 3.47Å; I82-A114 WeakPolarHBondContact CA-O 3.47Å; I82-A114 HydrophobicContact CG1-CB 4.38Å; I83-A114 PolarHBondContact N-O 3.12Å; A114-I143 CarbonylContact C-O 3.56Å; A114-I143 WeakPolarHBondContact CA-O 3.43Å; A114-I143 HydrophobicContact CB-CB 3.93Å; A114-I143 HydrophobicContact CB-CD1 4.38Å; A114-I143 HydrophobicContact CB-CG2 4.3Å; A114-L158 HydrophobicContact CB-CD1 3.96Å; A114-I162 HydrophobicContact CB-CD1 4.26Å; A114-I162 HydrophobicContact CB-CG1 4.2Å
115I98.9Very high96.9Very high0 Ų053.8 Ų53.80%029%0.293CS..EExtended strand (participates in β ladder)trans-101.7125.6172.1-67.5-180000107.7I83 Y85 L96 Y136 A137 I140 A142 I143 F144 V145I83-I115 WeakPolarHBondContact O-CA 3.37Å; Y85-I115 HydrophobicContact CD1-CG2 3.96Å; Y85-I115 HydrophobicContact CE1-CG2 3.71Å; L96-I115 HydrophobicContact CD1-CG1 4.38Å; L96-I115 HydrophobicContact CD1-CG2 3.87Å; L96-I115 HydrophobicContact CD2-CD1 3.87Å; L96-I115 HydrophobicContact CD2-CG1 4.3Å; I115-Y136 HydrophobicContact CD1-CD1 3.75Å; I115-Y136 HydrophobicContact CD1-CE1 3.71Å; I115-A137 HydrophobicContact CD1-CB 3.96Å; I115-I140 HydrophobicContact CD1-CD1 3.98Å; I115-A142 HydrophobicContact CD1-CB 4.36Å; I115-A142 HydrophobicContact CG1-CB 4.29Å; I115-I143 PolarHBondContact N-O 3.1Å; I115-F144 HydrophobicContact CB-CD2 4.19Å; I115-F144 HydrophobicContact CG2-CD2 3.82Å; I115-F144 HydrophobicContact CG2-CE2 4.19Å; I115-V145 PolarHBondContact O-N 2.84Å
116A98.9Very high97Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-112.3112.4174.900000110.3I21 I82 I83 V84 Y85 N118 V145 T147 L158I21-A116 HydrophobicContact CD1-CB 4.3Å; I82-A116 HydrophobicContact CG2-CB 3.99Å; I83-A116 PolarHBondContact O-N 3.34Å; V84-A116 WeakPolarHBondContact CA-O 3.09Å; V84-A116 HydrophobicContact CG1-CB 4.41Å; V84-A116 HydrophobicContact CG2-CB 4.22Å; Y85-A116 WeakPolarHBondContact CD1-O 3.39Å; Y85-A116 PolarHBondContact N-O 3.44Å; A116-N118 PolarHBondContact O-N 2.97Å; A116-V145 VanDerWaalsContact CA-O 3.29Å; A116-V145 WeakPolarHBondContact CA-O 3.46Å; A116-T147 HydrophobicContact CB-CG2 4.48Å; A116-L158 HydrophobicContact CB-CD2 3.99Å
117G98.8Very high97.2Very high0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-84.192.5170.200000109.9V145 E146 T147G117-V145 PolarHBondContact N-O 2.82Å; G117-E146 CarbonylContact O-C 3.45Å; G117-E146 VanDerWaalsContact O-CA 3.29Å; G117-E146 WeakPolarHBondContact O-CA 3.47Å; G117-T147 PolarHBondContact O-N 2.87Å
118N98.9Very high97.4Very high4 Ų449.1 Ų49.12%0.02127%0.265CS..EExtended strand (participates in β ladder)trans-86.2161.2-172.1-167.839.1000112.6V16 I21 V84 Y85 I87 A116 T147 A149V16-N118 PolarHBondContact O-ND2 3.07Å; I21-N118 HydrophobicContact CD1-CB 4.12Å; V84-N118 HydrophobicContact CG1-CB 3.81Å; Y85-N118 WeakPolarHBondContact O-CB 3.47Å; Y85-N118 PolarHBondContact O-N 3Å; I87-N118 WeakPolarHBondContact CG1-O 3.46Å; I87-N118 PolarHBondContact N-O 3.38Å; A116-N118 PolarHBondContact O-N 2.97Å; N118-T147 CarbonylContact C-O 3.47Å; N118-T147 VanDerWaalsContact CA-O 3.26Å; N118-T147 WeakPolarHBondContact CA-O 3.41Å; N118-T147 WeakPolarHBondContact CA-OG1 3.32Å; N118-T147 PolarHBondContact OD1-O 3.33Å; N118-T147 PolarHBondContact OD1-OG1 3.43Å; N118-A149 PolarHBondContact OD1-N 2.95Å
119K98.7Very high97.5Very high52 Ų5252.8 Ų52.823%0.22628%0.28CS..  trans69.433.9-177.5-43.3-170.3-163.61680113.3G15 D86 I87 D121 L122 T147G15-K119 WeakPolarHBondContact O-CE 3.35Å; G15-K119 PolarHBondContact O-NZ 3.49Å; D86-K119 WeakPolarHBondContact OD1-CD 3.26Å; D86-K119 VanDerWaalsContact OD2-CE 3.26Å; D86-K119 WeakPolarHBondContact OD2-CE 3.49Å; D86-K119 IonicContact OD2-NZ 2.69Å; D86-K119 PolarHBondContact OD2-NZ 2.94Å; I87-K119 WeakPolarHBondContact CD1-O 3.07Å; I87-K119 WeakPolarHBondContact CG1-O 3.47Å; K119-D121 WeakPolarHBondContact CA-OD1 3.41Å; K119-D121 PolarHBondContact O-N 3.44Å; K119-L122 HydrophobicContact CB-CD1 4.09Å; K119-L122 HydrophobicContact CB-CG 4.39Å; K119-L122 HydrophobicContact CD-CD1 4.23Å; K119-L122 WeakPolarHBondContact O-CB 3.39Å; K119-L122 PolarHBondContact O-N 3.46Å; K119-T147 PolarHBondContact N-O 3.27Å
120C98.6Very high97.9Very high20 Ų2051.8 Ų51.814%0.13527%0.266CS..THydrogen-bonded Turntrans-62-11176.670.30000114.2I87 L122 E146 T147I87-C120 HydrophobicContact CD1-CB 4.47Å; C120-L122 PolarHBondContact O-N 3Å; C120-E146 HydrophobicContact CB-CB 4Å; C120-T147 PolarHBondContact N-O 3.15Å; C120-T147 VanDerWaalsContact N-O 3.1Å; C120-T147 PolarHBondContact SG-O 3.49Å; C120-T147 VanDerWaalsContact SG-O 3.35Å
121D98.5Very high98.2Very high39 Ų3953.3 Ų53.321%0.20926%0.26CS..THydrogen-bonded Turntrans-68.8-16.9168.659.7-76.7000114.2K119 I123 S148 K150 N151K119-D121 WeakPolarHBondContact CA-OD1 3.41Å; K119-D121 PolarHBondContact O-N 3.44Å; D121-I123 PolarHBondContact O-N 3.33Å; D121-S148 VanDerWaalsContact CG-OG 3.26Å; D121-S148 VanDerWaalsContact OD1-CB 3.25Å; D121-S148 WeakPolarHBondContact OD1-CB 3.49Å; D121-S148 PolarHBondContact OD1-OG 2.84Å; D121-K150 VanDerWaalsContact OD2-CD 3.32Å; D121-K150 WeakPolarHBondContact OD2-CD 3.27Å; D121-K150 IonicContact OD2-NZ 3.34Å; D121-N151 VanDerWaalsContact CB-ND2 3.33Å; D121-N151 WeakPolarHBondContact CB-ND2 3.39Å
122L97.9Very high98.3Very high64 Ų6457.2 Ų57.234%0.33528%0.281SS..  trans-97.855.5-178.4-60-179.5000111.9T88 K119 C120 D124 V125T88-L122 HydrophobicContact CG2-CB 3.65Å; T88-L122 HydrophobicContact CG2-CD1 3.93Å; T88-L122 HydrophobicContact CG2-CG 4.44Å; K119-L122 HydrophobicContact CB-CD1 4.09Å; K119-L122 HydrophobicContact CB-CG 4.39Å; K119-L122 HydrophobicContact CD-CD1 4.23Å; K119-L122 WeakPolarHBondContact O-CB 3.39Å; K119-L122 PolarHBondContact O-N 3.46Å; C120-L122 PolarHBondContact O-N 3Å; L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.47Å; L122-V125 HydrophobicContact CB-CG2 3.86Å; L122-V125 PolarHBondContact O-N 3.33Å
123I96.1Very high98.3Very high110 Ų11056.4 Ų56.456%0.56428%0.276SS*.G310 helixtrans-63.8-32.3-172.3-156.7159.9000113.5D121 V125 R126D121-I123 PolarHBondContact O-N 3.33Å; I123-V125 PolarHBondContact O-N 2.89Å; I123-R126 WeakPolarHBondContact O-CB 3.42Å; I123-R126 PolarHBondContact O-N 2.76Å
124D97.8Very high98.3Very high160 Ų16061.1 Ų61.186%0.85630%0.296SS*.G310 helixtrans-69-20.3-175.8-60-40.7000113.5L122L122-D124 VanDerWaalsContact C-N 3.29Å; L122-D124 PolarHBondContact O-N 3.47Å
125V98.2Very high98.3Very high86 Ų8665 Ų6552%0.52132%0.317SS..G310 helixtrans-120.324.4-179.1-64.60000111.3T88 L122 I123 E127T88-V125 WeakPolarHBondContact CA-O 3.48Å; T88-V125 VanDerWaalsContact CB-O 3.32Å; T88-V125 WeakPolarHBondContact CB-O 3.48Å; T88-V125 HydrophobicContact CG2-CG2 3.73Å; L122-V125 HydrophobicContact CB-CG2 3.86Å; L122-V125 PolarHBondContact O-N 3.33Å; I123-V125 PolarHBondContact O-N 2.89Å; V125-E127 PolarHBondContact O-N 2.92Å
126R98.5Very high98.3Very high48 Ų4867 Ų6718%0.18133%0.325CS..  trans-65130176.1175.8-177.6-73.1-92.18110.4I87 I123 V128 E146I87-R126 HydrophobicContact CD1-CB 4.28Å; I87-R126 HydrophobicContact CD1-CG 4.27Å; I123-R126 WeakPolarHBondContact O-CB 3.42Å; I123-R126 PolarHBondContact O-N 2.76Å; R126-V128 VanDerWaalsContact CD-O 3.3Å; R126-V128 WeakPolarHBondContact CD-O 3.5Å; R126-V128 WeakPolarHBondContact CG-O 3.37Å; R126-V128 PolarHBondContact NH1-O 3.46Å; R126-E146 IonicContact CZ-OE1 3.49Å; R126-E146 IonicContact CZ-OE2 3.89Å; R126-E146 IonicContact NH1-OE1 3.44Å; R126-E146 PolarHBondContact NH1-OE1 2.86Å; R126-E146 IonicContact NH1-OE2 3.69Å; R126-E146 IonicContact NH2-OE1 2.78Å; R126-E146 PolarHBondContact NH2-OE1 3.01Å; R126-E146 IonicContact NH2-OE2 3.86Å; R126-E146 PolarHBondContact NH2-OE2 3.21Å
127E98.6Very high98.3Very high113 Ų11367 Ų6753%0.52833%0.325SS..  trans-108.6-27.1172.7-64.5-175179.500112I87 T88 K89 E90 V125I87-E127 PolarHBondContact O-N 3.48Å; T88-E127 WeakPolarHBondContact O-CG 3.35Å; K89-E127 VanDerWaalsContact CA-OE2 3.28Å; K89-E127 WeakPolarHBondContact CA-OE2 3.46Å; E90-E127 HydrophobicContact CB-CB 4.21Å; E90-E127 PolarHBondContact N-OE2 3Å; V125-E127 PolarHBondContact O-N 2.92Å
128V98.4Very high98.3Very high5 Ų571.1 Ų71.13%0.0335%0.347CS..SBendtrans-106.8119.2179.7-175.10000110.1Y85 I87 E90 F93 R126 A133Y85-V128 HydrophobicContact CD2-CG2 4.42Å; Y85-V128 HydrophobicContact CE2-CB 3.93Å; Y85-V128 HydrophobicContact CE2-CG1 3.77Å; Y85-V128 HydrophobicContact CE2-CG2 4.15Å; I87-V128 PolarHBondContact O-N 3.35Å; E90-V128 HydrophobicContact CB-CG2 4.39Å; F93-V128 HydrophobicContact CB-CG1 4.3Å; F93-V128 HydrophobicContact CB-CG2 3.79Å; F93-V128 HydrophobicContact CD1-CG1 4.05Å; F93-V128 HydrophobicContact CD2-CG1 4.3Å; F93-V128 HydrophobicContact CE1-CG1 4.46Å; F93-V128 HydrophobicContact CG-CG1 3.96Å; F93-V128 HydrophobicContact CG-CG2 4.34Å; R126-V128 VanDerWaalsContact CD-O 3.3Å; R126-V128 WeakPolarHBondContact CD-O 3.5Å; R126-V128 WeakPolarHBondContact CG-O 3.37Å; R126-V128 PolarHBondContact NH1-O 3.46Å; V128-A133 HydrophobicContact CG1-CB 4.25Å
129M98.3Very high98.3Very high109 Ų10974.8 Ų74.854%0.53737%0.373SS..  trans-69.9137.3175.6-64.2-64.8165.800110.7R131 D132 A133M129-R131 PolarHBondContact O-N 3.03Å; M129-D132 PolarHBondContact O-N 2.93Å; M129-D132 VanDerWaalsContact O-N 3.11Å; M129-A133 PolarHBondContact O-N 2.89Å
130E97.9Very high98.2Very high100 Ų10073.9 Ų73.947%0.46737%0.37SS..Hα-helixtrans-54.5-41.6178.1-175-174.8164.300111.3D132 A133 K134 F144 E146E130-D132 PolarHBondContact O-N 3.02Å; E130-A133 PolarHBondContact O-N 3.11Å; E130-K134 VanDerWaalsContact O-CB 3.31Å; E130-K134 WeakPolarHBondContact O-CB 3.28Å; E130-K134 PolarHBondContact O-N 3.13Å; E130-F144 HydrophobicContact CG-CE1 3.75Å; E130-F144 HydrophobicContact CG-CZ 4.12Å; E130-E146 WeakPolarHBondContact CB-OE1 3.47Å; E130-E146 HydrophobicContact CG-CG 4.1Å
131R98.3Very high98.2Very high182 Ų18279.9 Ų79.969%0.68740%0.396SS*.Hα-helixtrans-56.8-48.1177.5179-178.2174.1-179.10.5112.2M129 A133 K134 D135M129-R131 PolarHBondContact O-N 3.03Å; R131-A133 VanDerWaalsContact C-N 3.31Å; R131-A133 PolarHBondContact O-N 3.08Å; R131-K134 PolarHBondContact O-N 3.18Å; R131-D135 IonicContact NE-OD2 3.42Å; R131-D135 PolarHBondContact NE-OD2 3.3Å; R131-D135 WeakPolarHBondContact O-CB 3.13Å; R131-D135 VanDerWaalsContact O-CG 3.24Å; R131-D135 PolarHBondContact O-N 2.96Å
132D98.2Very high98.2Very high89 Ų8978.4 Ų78.448%0.47639%0.389SS..Hα-helixtrans-66.9-37.7-175.7-61-26.9000111.2M129 E130 Y136M129-D132 PolarHBondContact O-N 2.93Å; M129-D132 VanDerWaalsContact O-N 3.11Å; E130-D132 PolarHBondContact O-N 3.02Å; D132-Y136 WeakPolarHBondContact O-CB 3.43Å; D132-Y136 PolarHBondContact O-N 2.88Å; D132-Y136 VanDerWaalsContact O-N 3.08Å
133A98.4Very high98.2Very high0 Ų076.2 Ų76.20%038%0.378CS..Hα-helixtrans-68-40175.600000112.3Y85 F93 V128 M129 E130 R131 A137 F144Y85-A133 HydrophobicContact CE1-CB 4.3Å; Y85-A133 WeakPolarHBondContact OH-CB 3.38Å; F93-A133 HydrophobicContact CE2-CB 3.82Å; F93-A133 HydrophobicContact CZ-CB 4.12Å; V128-A133 HydrophobicContact CG1-CB 4.25Å; M129-A133 PolarHBondContact O-N 2.89Å; E130-A133 PolarHBondContact O-N 3.11Å; R131-A133 VanDerWaalsContact C-N 3.31Å; R131-A133 PolarHBondContact O-N 3.08Å; A133-A137 WeakPolarHBondContact O-CB 3.28Å; A133-A137 PolarHBondContact O-N 2.87Å; A133-F144 HydrophobicContact CB-CD2 4.33Å; A133-F144 HydrophobicContact CB-CE2 3.47Å; A133-F144 VanDerWaalsContact CB-CE2 3.47Å; A133-F144 HydrophobicContact CB-CZ 3.68Å
134K98.6Very high98.3Very high102 Ų10272.6 Ų72.644%0.44336%0.358SS..Hα-helixtrans-66.1-49.1175.1-174.7174-176.6167.50112.2E130 R131 Y136 A137 D138 F144E130-K134 VanDerWaalsContact O-CB 3.31Å; E130-K134 WeakPolarHBondContact O-CB 3.28Å; E130-K134 PolarHBondContact O-N 3.13Å; R131-K134 PolarHBondContact O-N 3.18Å; K134-Y136 PolarHBondContact O-N 2.89Å; K134-A137 PolarHBondContact O-N 3.05Å; K134-D138 WeakPolarHBondContact O-CB 3.15Å; K134-D138 PolarHBondContact O-N 2.87Å; K134-F144 HydrophobicContact CB-CD1 3.77Å; K134-F144 HydrophobicContact CB-CE1 3.95Å; K134-F144 HydrophobicContact CB-CG 4.39Å; K134-F144 HydrophobicContact CG-CD1 4.08Å
135D98.8Very high98.4Very high81 Ų8165.6 Ų65.643%0.43332%0.321SS..Hα-helixtrans-57-40.9177.8-73.5-10.2000110.3R131 S139R131-D135 IonicContact NE-OD2 3.42Å; R131-D135 PolarHBondContact NE-OD2 3.3Å; R131-D135 WeakPolarHBondContact O-CB 3.13Å; R131-D135 VanDerWaalsContact O-CG 3.24Å; R131-D135 PolarHBondContact O-N 2.96Å; D135-S139 WeakPolarHBondContact O-CB 3.38Å; D135-S139 PolarHBondContact O-N 3.09Å; D135-S139 VanDerWaalsContact O-N 3.12Å
136Y98.7Very high98.4Very high42 Ų4262.3 Ų62.317%0.16530%0.3CS..Hα-helixtrans-65.1-48.3173.2175.1-108.9000112.7F93 L96 K97 V100 I115 D132 K134 D138 S139 I140F93-Y136 HydrophobicContact CE2-CD1 4.13Å; F93-Y136 AromaticContact CZ-CD1 3.99Å; F93-Y136 HydrophobicContact CZ-CD1 3.99Å; F93-Y136 HydrophobicContact CZ-CG 4.14Å; L96-Y136 HydrophobicContact CD2-CD1 4.33Å; L96-Y136 HydrophobicContact CD2-CE1 3.66Å; K97-Y136 HydrophobicContact CD-CE2 4.21Å; K97-Y136 HydrophobicContact CG-CE1 4.02Å; K97-Y136 HydrophobicContact CG-CE2 4.06Å; V100-Y136 HydrophobicContact CG2-CE1 4.44Å; I115-Y136 HydrophobicContact CD1-CD1 3.75Å; I115-Y136 HydrophobicContact CD1-CE1 3.71Å; D132-Y136 WeakPolarHBondContact O-CB 3.43Å; D132-Y136 PolarHBondContact O-N 2.88Å; D132-Y136 VanDerWaalsContact O-N 3.08Å; K134-Y136 PolarHBondContact O-N 2.89Å; Y136-D138 VanDerWaalsContact C-N 3.32Å; Y136-D138 PolarHBondContact O-N 3.31Å; Y136-S139 WeakPolarHBondContact O-CB 3.44Å; Y136-S139 PolarHBondContact O-N 3.39Å; Y136-S139 PolarHBondContact O-OG 3.46Å; Y136-I140 HydrophobicContact CE1-CD1 3.96Å; Y136-I140 HydrophobicContact CE2-CG2 4.09Å; Y136-I140 PolarHBondContact O-N 2.82Å
137A98.6Very high98.4Very high0 Ų060 Ų600%029%0.291CS..Hα-helixtrans-59.2-43.4179.600000112.3I115 A133 K134 S139 I140 H141 A142 F144I115-A137 HydrophobicContact CD1-CB 3.96Å; A133-A137 WeakPolarHBondContact O-CB 3.28Å; A133-A137 PolarHBondContact O-N 2.87Å; K134-A137 PolarHBondContact O-N 3.05Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 2.91Å; A137-I140 CarbonylContact O-C 3.53Å; A137-I140 VanDerWaalsContact O-CG1 3.24Å; A137-I140 WeakPolarHBondContact O-CG1 3.33Å; A137-I140 PolarHBondContact O-N 2.82Å; A137-H141 PolarHBondContact O-N 3.08Å; A137-H141 VanDerWaalsContact O-N 3.08Å; A137-A142 HydrophobicContact CB-CB 4.32Å; A137-A142 PolarHBondContact O-N 2.75Å; A137-F144 HydrophobicContact CB-CB 3.61Å; A137-F144 HydrophobicContact CB-CD2 4.37Å; A137-F144 HydrophobicContact CB-CG 4.26Å
138D98.5Very high98.4Very high88 Ų8854.7 Ų54.747%0.47127%0.266SS..Hα-helixtrans-61.3-42177-72.7-20.7000110.9K134 Y136 I140 H141K134-D138 WeakPolarHBondContact O-CB 3.15Å; K134-D138 PolarHBondContact O-N 2.87Å; Y136-D138 VanDerWaalsContact C-N 3.32Å; Y136-D138 PolarHBondContact O-N 3.31Å; D138-I140 PolarHBondContact O-N 3.15Å; D138-I140 VanDerWaalsContact O-N 3.17Å; D138-H141 PolarHBondContact O-N 3.35Å; D138-H141 VanDerWaalsContact O-N 3.08Å
139S98.4Very high98.4Very high80 Ų8054.5 Ų54.556%0.55927%0.265SS*.Hα-helixtrans-61.1-23.9177.881.20000114.2D135 Y136 A137D135-S139 WeakPolarHBondContact O-CB 3.38Å; D135-S139 PolarHBondContact O-N 3.09Å; D135-S139 VanDerWaalsContact O-N 3.12Å; Y136-S139 WeakPolarHBondContact O-CB 3.44Å; Y136-S139 PolarHBondContact O-N 3.39Å; Y136-S139 PolarHBondContact O-OG 3.46Å; A137-S139 VanDerWaalsContact C-N 3.32Å; A137-S139 PolarHBondContact O-N 2.91Å
140I97.4Very high98.4Very high34 Ų3454.4 Ų54.417%0.17426%0.262CS..THydrogen-bonded Turntrans-109.99.5178.567.3164.9000113.2V100 R104 I115 Y136 A137 D138 A142V100-I140 HydrophobicContact CG1-CD1 3.71Å; V100-I140 HydrophobicContact CG2-CD1 4Å; R104-I140 PolarHBondContact NH2-O 3.21Å; R104-I140 VanDerWaalsContact NH2-O 3.12Å; I115-I140 HydrophobicContact CD1-CD1 3.98Å; Y136-I140 HydrophobicContact CE1-CD1 3.96Å; Y136-I140 HydrophobicContact CE2-CG2 4.09Å; Y136-I140 PolarHBondContact O-N 2.82Å; A137-I140 CarbonylContact O-C 3.53Å; A137-I140 VanDerWaalsContact O-CG1 3.24Å; A137-I140 WeakPolarHBondContact O-CG1 3.33Å; A137-I140 PolarHBondContact O-N 2.82Å; D138-I140 PolarHBondContact O-N 3.15Å; D138-I140 VanDerWaalsContact O-N 3.17Å; I140-A142 HydrophobicContact CD1-CB 3.77Å; I140-A142 HydrophobicContact CG1-CB 3.72Å; I140-A142 PolarHBondContact O-N 3.33Å
141H97.1Very high98.5Very high145 Ų14554 Ų5467%0.67126%0.263SS*.THydrogen-bonded Turntrans53.735.6-176.4-52.4-58.2000113.9A137 D138A137-H141 PolarHBondContact O-N 3.08Å; A137-H141 VanDerWaalsContact O-N 3.08Å; D138-H141 PolarHBondContact O-N 3.35Å; D138-H141 VanDerWaalsContact O-N 3.08Å
142A98.4Very high98.5Very high9 Ų947.5 Ų47.57%0.07425%0.248CC..  trans-89.3153.7174.700000111.2V113 I115 A137 I140V113-A142 HydrophobicContact CB-CB 4.12Å; V113-A142 HydrophobicContact CG1-CB 3.98Å; V113-A142 CarbonylContact O-C 3.56Å; V113-A142 VanDerWaalsContact O-CA 3.29Å; V113-A142 WeakPolarHBondContact O-CA 3.26Å; V113-A142 WeakPolarHBondContact O-CB 3.33Å; I115-A142 HydrophobicContact CD1-CB 4.36Å; I115-A142 HydrophobicContact CG1-CB 4.29Å; A137-A142 HydrophobicContact CB-CB 4.32Å; A137-A142 PolarHBondContact O-N 2.75Å; I140-A142 HydrophobicContact CD1-CB 3.77Å; I140-A142 HydrophobicContact CG1-CB 3.72Å; I140-A142 PolarHBondContact O-N 3.33Å
143I98.7Very high98.5Very high18 Ų1846.2 Ų46.29%0.09224%0.241CC..EExtended strand (participates in β ladder)trans-67142.5163.4-63.7160000107.6V112 V113 A114 I115 V145 E161 I162 R165V112-I143 HydrophobicContact CG1-CD1 3.64Å; V113-I143 PolarHBondContact O-N 3.05Å; A114-I143 CarbonylContact C-O 3.56Å; A114-I143 WeakPolarHBondContact CA-O 3.43Å; A114-I143 HydrophobicContact CB-CB 3.93Å; A114-I143 HydrophobicContact CB-CD1 4.38Å; A114-I143 HydrophobicContact CB-CG2 4.3Å; I115-I143 PolarHBondContact N-O 3.1Å; I143-V145 HydrophobicContact CG2-CG2 3.97Å; I143-E161 HydrophobicContact CD1-CB 4.16Å; I143-E161 HydrophobicContact CG2-CB 3.73Å; I143-E161 HydrophobicContact CG2-CG 4.19Å; I143-I162 HydrophobicContact CD1-CG1 4.15Å; I143-R165 HydrophobicContact CD1-CB 3.97Å; I143-R165 HydrophobicContact CD1-CG 4.32Å
144F98.8Very high98.5Very high34 Ų3449.9 Ų49.915%0.14926%0.26CS..EExtended strand (participates in β ladder)trans-126.7129.5171.3176.9-107.9000110.5Y85 I115 E130 A133 K134 A137 E146Y85-F144 HydrophobicContact CE1-CE2 4.23Å; I115-F144 HydrophobicContact CB-CD2 4.19Å; I115-F144 HydrophobicContact CG2-CD2 3.82Å; I115-F144 HydrophobicContact CG2-CE2 4.19Å; E130-F144 HydrophobicContact CG-CE1 3.75Å; E130-F144 HydrophobicContact CG-CZ 4.12Å; A133-F144 HydrophobicContact CB-CD2 4.33Å; A133-F144 HydrophobicContact CB-CE2 3.47Å; A133-F144 VanDerWaalsContact CB-CE2 3.47Å; A133-F144 HydrophobicContact CB-CZ 3.68Å; K134-F144 HydrophobicContact CB-CD1 3.77Å; K134-F144 HydrophobicContact CB-CE1 3.95Å; K134-F144 HydrophobicContact CB-CG 4.39Å; K134-F144 HydrophobicContact CG-CD1 4.08Å; A137-F144 HydrophobicContact CB-CB 3.61Å; A137-F144 HydrophobicContact CB-CD2 4.37Å; A137-F144 HydrophobicContact CB-CG 4.26Å; F144-E146 HydrophobicContact CE1-CG 4.07Å; F144-E146 HydrophobicContact CZ-CG 3.66Å
145V98.8Very high98.5Very high12 Ų1245.1 Ų45.17%0.07324%0.239CC..EExtended strand (participates in β ladder)trans-143127.6175.9-176.40000109I115 A116 G117 I143 T147 N154 L158 E161I115-V145 PolarHBondContact O-N 2.84Å; A116-V145 VanDerWaalsContact CA-O 3.29Å; A116-V145 WeakPolarHBondContact CA-O 3.46Å; G117-V145 PolarHBondContact N-O 2.82Å; I143-V145 HydrophobicContact CG2-CG2 3.97Å; V145-T147 HydrophobicContact CB-CG2 4.49Å; V145-T147 HydrophobicContact CG1-CG2 3.9Å; V145-N154 HydrophobicContact CG1-CB 3.52Å; V145-L158 HydrophobicContact CB-CD1 4.24Å; V145-L158 HydrophobicContact CG1-CB 4.42Å; V145-L158 HydrophobicContact CG2-CD1 4.17Å; V145-E161 HydrophobicContact CG2-CG 4.44Å
146E98.8Very high98.5Very high18 Ų1845.7 Ų45.78%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-81.5134.3163.9-70.6-154.6157.900110.7G117 C120 R126 E130 F144 N154G117-E146 CarbonylContact O-C 3.45Å; G117-E146 VanDerWaalsContact O-CA 3.29Å; G117-E146 WeakPolarHBondContact O-CA 3.47Å; C120-E146 HydrophobicContact CB-CB 4Å; R126-E146 IonicContact CZ-OE1 3.49Å; R126-E146 IonicContact CZ-OE2 3.89Å; R126-E146 IonicContact NH1-OE1 3.44Å; R126-E146 PolarHBondContact NH1-OE1 2.86Å; R126-E146 IonicContact NH1-OE2 3.69Å; R126-E146 IonicContact NH2-OE1 2.78Å; R126-E146 PolarHBondContact NH2-OE1 3.01Å; R126-E146 IonicContact NH2-OE2 3.86Å; R126-E146 PolarHBondContact NH2-OE2 3.21Å; E130-E146 WeakPolarHBondContact CB-OE1 3.47Å; E130-E146 HydrophobicContact CG-CG 4.1Å; F144-E146 HydrophobicContact CE1-CG 4.07Å; F144-E146 HydrophobicContact CZ-CG 3.66Å; E146-N154 VanDerWaalsContact O-CB 3.26Å; E146-N154 WeakPolarHBondContact O-CB 3.26Å; E146-N154 PolarHBondContact O-ND2 3.2Å
147T98.9Very high98.5Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-128.5153.4-174.364.60000112.4A116 G117 N118 K119 C120 V145 I153 N154 I155 L158A116-T147 HydrophobicContact CB-CG2 4.48Å; G117-T147 PolarHBondContact O-N 2.87Å; N118-T147 CarbonylContact C-O 3.47Å; N118-T147 VanDerWaalsContact CA-O 3.26Å; N118-T147 WeakPolarHBondContact CA-O 3.41Å; N118-T147 WeakPolarHBondContact CA-OG1 3.32Å; N118-T147 PolarHBondContact OD1-O 3.33Å; N118-T147 PolarHBondContact OD1-OG1 3.43Å; K119-T147 PolarHBondContact N-O 3.27Å; C120-T147 PolarHBondContact N-O 3.15Å; C120-T147 VanDerWaalsContact N-O 3.1Å; C120-T147 PolarHBondContact SG-O 3.49Å; C120-T147 VanDerWaalsContact SG-O 3.35Å; V145-T147 HydrophobicContact CB-CG2 4.49Å; V145-T147 HydrophobicContact CG1-CG2 3.9Å; T147-I153 VanDerWaalsContact CA-O 3.31Å; T147-I153 WeakPolarHBondContact CA-O 2.86Å; T147-N154 HydrophobicContact CG2-CB 4.45Å; T147-I155 HydrophobicContact CG2-CD1 4.36Å; T147-L158 HydrophobicContact CG2-CD2 4.25Å
148S98.8Very high98.5Very high0 Ų047.2 Ų47.20%025%0.251CS..BIsolated β-bridgetrans-129109.3161.51760000108.9D121 K150 N151 A152 I153D121-S148 VanDerWaalsContact CG-OG 3.26Å; D121-S148 VanDerWaalsContact OD1-CB 3.25Å; D121-S148 WeakPolarHBondContact OD1-CB 3.49Å; D121-S148 PolarHBondContact OD1-OG 2.84Å; S148-K150 PolarHBondContact O-N 3.47Å; S148-K150 PolarHBondContact OG-N 2.79Å; S148-N151 PolarHBondContact OG-N 3.23Å; S148-A152 CarbonylContact O-C 3.58Å; S148-A152 VanDerWaalsContact O-CA 3.24Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 PolarHBondContact O-N 2.83Å; S148-I153 PolarHBondContact N-O 3.21Å; S148-I153 PolarHBondContact O-N 3.49Å
149A98.6Very high98.5Very high2 Ų243 Ų432%0.01723%0.229CC..THydrogen-bonded Turntrans-62.4-31.6170.400000111.9I21 R24 F30 N118 I155I21-A149 HydrophobicContact CG1-CB 4.29Å; R24-A149 HydrophobicContact CB-CB 4.37Å; R24-A149 PolarHBondContact NE-O 2.79Å; F30-A149 HydrophobicContact CD2-CB 4.15Å; F30-A149 HydrophobicContact CE2-CB 4.39Å; N118-A149 PolarHBondContact OD1-N 2.95Å; A149-I155 HydrophobicContact CB-CD1 4.43Å
150K98.4Very high98.4Very high106 Ų10641.1 Ų41.146%0.46121%0.212SC..THydrogen-bonded Turntrans-65.5-53179.2-174.9-172.6179-1760111.4R24 F30 D121 S148R24-K150 PolarHBondContact NH2-O 3.19Å; F30-K150 HydrophobicContact CD1-CB 4.36Å; F30-K150 HydrophobicContact CD1-CG 4.14Å; F30-K150 HydrophobicContact CD2-CB 4.31Å; F30-K150 HydrophobicContact CE1-CB 4.11Å; F30-K150 HydrophobicContact CE1-CG 3.85Å; F30-K150 HydrophobicContact CE2-CB 4.05Å; F30-K150 HydrophobicContact CG-CB 4.46Å; F30-K150 HydrophobicContact CZ-CB 3.95Å; F30-K150 HydrophobicContact CZ-CG 4.15Å; D121-K150 VanDerWaalsContact OD2-CD 3.32Å; D121-K150 WeakPolarHBondContact OD2-CD 3.27Å; D121-K150 IonicContact OD2-NZ 3.34Å; S148-K150 PolarHBondContact O-N 3.47Å; S148-K150 PolarHBondContact OG-N 2.79Å
151N98.4Very high98.4Very high92 Ų9242.1 Ų42.149%0.49222%0.216SC..THydrogen-bonded Turntrans-97.310.1-175.1-66.5-3.5000113.4D121 S148 I153D121-N151 VanDerWaalsContact CB-ND2 3.33Å; D121-N151 WeakPolarHBondContact CB-ND2 3.39Å; S148-N151 PolarHBondContact OG-N 3.23Å; N151-I153 HydrophobicContact CB-CD1 3.91Å; N151-I153 HydrophobicContact CB-CG1 3.89Å; N151-I153 PolarHBondContact O-N 2.85Å
152A98.4Very high98.5Very high45 Ų4535.2 Ų35.237%0.37218%0.184SC..THydrogen-bonded Turntrans57.224.1-176.600000115.2R24 S148 N154R24-A152 HydrophobicContact CG-CB 4.24Å; S148-A152 CarbonylContact O-C 3.58Å; S148-A152 VanDerWaalsContact O-CA 3.24Å; S148-A152 WeakPolarHBondContact O-CA 3.48Å; S148-A152 PolarHBondContact O-N 2.83Å; A152-N154 PolarHBondContact O-N 3.02Å
153I98.8Very high98.4Very high63 Ų6334.9 Ų34.932%0.32318%0.181SC..BIsolated β-bridgetrans-73.9124.9-177.3-59171.5000109.6T147 S148 N151 I155T147-I153 VanDerWaalsContact CA-O 3.31Å; T147-I153 WeakPolarHBondContact CA-O 2.86Å; S148-I153 PolarHBondContact N-O 3.21Å; S148-I153 PolarHBondContact O-N 3.49Å; N151-I153 HydrophobicContact CB-CD1 3.91Å; N151-I153 HydrophobicContact CB-CG1 3.89Å; N151-I153 PolarHBondContact O-N 2.85Å; I153-I155 PolarHBondContact O-N 3.23Å
154N98.7Very high98.2Very high76 Ų7639.8 Ų39.841%0.40620%0.198SC..THydrogen-bonded Turntrans53.616.9174.9-58.4-27.4000116.2V145 E146 T147 A152 E157 L158V145-N154 HydrophobicContact CG1-CB 3.52Å; E146-N154 VanDerWaalsContact O-CB 3.26Å; E146-N154 WeakPolarHBondContact O-CB 3.26Å; E146-N154 PolarHBondContact O-ND2 3.2Å; T147-N154 HydrophobicContact CG2-CB 4.45Å; A152-N154 PolarHBondContact O-N 3.02Å; N154-E157 HydrophobicContact CB-CB 4.26Å; N154-E157 PolarHBondContact O-N 3.22Å; N154-L158 PolarHBondContact O-N 2.89Å
155I98.7Very high98Very high2 Ų245.2 Ų45.21%0.0122%0.218CC..Hα-helixtrans-64.7-49.9-179.5-61.4-69.3000110.1I21 R24 F25 T147 A149 I153 E157 L158 F159I21-I155 HydrophobicContact CB-CD1 4.35Å; I21-I155 HydrophobicContact CG1-CD1 3.98Å; I21-I155 HydrophobicContact CG2-CD1 4.13Å; R24-I155 HydrophobicContact CB-CG1 4.42Å; R24-I155 HydrophobicContact CB-CG2 4.34Å; R24-I155 HydrophobicContact CG-CB 4.16Å; R24-I155 HydrophobicContact CG-CD1 4.4Å; R24-I155 HydrophobicContact CG-CG1 3.71Å; R24-I155 HydrophobicContact CG-CG2 4.01Å; F25-I155 HydrophobicContact CB-CG2 3.68Å; F25-I155 HydrophobicContact CD2-CG2 4.36Å; F25-I155 HydrophobicContact CG-CG2 4.49Å; T147-I155 HydrophobicContact CG2-CD1 4.36Å; A149-I155 HydrophobicContact CB-CD1 4.43Å; I153-I155 PolarHBondContact O-N 3.23Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.35Å; I155-L158 PolarHBondContact O-N 3.34Å; I155-F159 VanDerWaalsContact O-CD2 3.26Å; I155-F159 WeakPolarHBondContact O-CD2 3.27Å
156N97.9Very high97.6Very high93 Ų9345.3 Ų45.350%0.49722%0.218SC..Hα-helixtrans-64.7-39.5175.9-69.6-63000111.8L158 F159 I160N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 2.76Å; N156-F159 PolarHBondContact O-N 2.96Å; N156-F159 VanDerWaalsContact O-N 3.11Å; N156-I160 WeakPolarHBondContact O-CG1 3.4Å; N156-I160 PolarHBondContact O-N 2.92Å
157E98.3Very high96.7Very high74 Ų7449 Ų4935%0.34624%0.243SC..Hα-helixtrans-58.8-41.6-179.4-170.257.3-146.100111.7N154 I155 F159 I160 E161 R164N154-E157 HydrophobicContact CB-CB 4.26Å; N154-E157 PolarHBondContact O-N 3.22Å; I155-E157 VanDerWaalsContact C-N 3.34Å; I155-E157 PolarHBondContact O-N 3.35Å; E157-F159 VanDerWaalsContact C-N 3.3Å; E157-F159 PolarHBondContact O-N 3.44Å; E157-I160 PolarHBondContact O-N 3.43Å; E157-I160 VanDerWaalsContact O-N 3.12Å; E157-E161 HydrophobicContact CG-CG 4.34Å; E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.33Å; E157-R164 IonicContact OE1-NH1 3.74Å
158L98.8Very high95.5Very high0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-53.6-45.1175.2175.961.6000112.7I21 I82 A114 A116 V145 T147 N154 I155 N156 I162I21-L158 HydrophobicContact CG2-CD2 4.28Å; I82-L158 HydrophobicContact CD1-CD2 4.12Å; I82-L158 HydrophobicContact CD1-CG 4.3Å; I82-L158 HydrophobicContact CG2-CD2 3.93Å; A114-L158 HydrophobicContact CB-CD1 3.96Å; A116-L158 HydrophobicContact CB-CD2 3.99Å; V145-L158 HydrophobicContact CB-CD1 4.24Å; V145-L158 HydrophobicContact CG1-CB 4.42Å; V145-L158 HydrophobicContact CG2-CD1 4.17Å; T147-L158 HydrophobicContact CG2-CD2 4.25Å; N154-L158 PolarHBondContact O-N 2.89Å; I155-L158 PolarHBondContact O-N 3.34Å; N156-L158 VanDerWaalsContact C-N 3.3Å; N156-L158 PolarHBondContact O-N 2.76Å; L158-I162 WeakPolarHBondContact O-CD1 3.08Å; L158-I162 VanDerWaalsContact O-CG1 3.32Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 2.99Å
159F98.4Very high93.8Very high1 Ų156.9 Ų56.90%0.00429%0.294CS..Hα-helixtrans-77.3-28.9179-68.6-89.7000112.7I21 F25 F56 I58 I82 I155 N156 E157 S163I21-F159 HydrophobicContact CG2-CE2 4.22Å; F25-F159 HydrophobicContact CB-CD2 4.12Å; F25-F159 HydrophobicContact CB-CE2 3.56Å; F25-F159 HydrophobicContact CB-CZ 4.09Å; F25-F159 AromaticContact CD1-CD1 3.98Å; F25-F159 HydrophobicContact CD1-CD1 3.98Å; F25-F159 AromaticContact CD1-CD2 3.78Å; F25-F159 HydrophobicContact CD1-CD2 3.78Å; F25-F159 AromaticContact CD1-CE1 3.8Å; F25-F159 HydrophobicContact CD1-CE1 3.8Å; F25-F159 AromaticContact CD1-CE2 3.62Å; F25-F159 HydrophobicContact CD1-CE2 3.62Å; F25-F159 AromaticContact CD1-CG 3.99Å; F25-F159 HydrophobicContact CD1-CG 3.99Å; F25-F159 AromaticContact CD1-CZ 3.62Å; F25-F159 HydrophobicContact CD1-CZ 3.62Å; F25-F159 HydrophobicContact CD2-CB 4.46Å; F25-F159 AromaticContact CD2-CD2 3.45Å; F25-F159 HydrophobicContact CD2-CD2 3.45Å; F25-F159 VanDerWaalsContact CD2-CD2 3.45Å; F25-F159 AromaticContact CD2-CE2 3.83Å; F25-F159 HydrophobicContact CD2-CE2 3.83Å; F25-F159 HydrophobicContact CD2-CG 4.01Å; F25-F159 HydrophobicContact CE1-CB 4.32Å; F25-F159 AromaticContact CE1-CD1 3.66Å; F25-F159 HydrophobicContact CE1-CD1 3.66Å; F25-F159 AromaticContact CE1-CD2 3.98Å; F25-F159 HydrophobicContact CE1-CD2 3.98Å; F25-F159 AromaticContact CE1-CE1 3.88Å; F25-F159 HydrophobicContact CE1-CE1 3.88Å; F25-F159 HydrophobicContact CE1-CE2 4.22Å; F25-F159 AromaticContact CE1-CG 3.71Å; F25-F159 HydrophobicContact CE1-CG 3.71Å; F25-F159 HydrophobicContact CE1-CZ 4.17Å; F25-F159 HydrophobicContact CE2-CB 3.81Å; F25-F159 AromaticContact CE2-CD2 3.67Å; F25-F159 HydrophobicContact CE2-CD2 3.67Å; F25-F159 HydrophobicContact CE2-CE2 4.41Å; F25-F159 AromaticContact CE2-CG 3.76Å; F25-F159 HydrophobicContact CE2-CG 3.76Å; F25-F159 AromaticContact CG-CD2 3.5Å; F25-F159 HydrophobicContact CG-CD2 3.5Å; F25-F159 HydrophobicContact CG-CE1 4.41Å; F25-F159 AromaticContact CG-CE2 3.38Å; F25-F159 HydrophobicContact CG-CE2 3.38Å; F25-F159 HydrophobicContact CG-CG 4.12Å; F25-F159 AromaticContact CG-CZ 3.87Å; F25-F159 HydrophobicContact CG-CZ 3.87Å; F25-F159 HydrophobicContact CZ-CB 3.71Å; F25-F159 AromaticContact CZ-CD1 3.96Å; F25-F159 HydrophobicContact CZ-CD1 3.96Å; F25-F159 AromaticContact CZ-CD2 3.92Å; F25-F159 HydrophobicContact CZ-CD2 3.92Å; F25-F159 AromaticContact CZ-CG 3.59Å; F25-F159 HydrophobicContact CZ-CG 3.59Å; F56-F159 HydrophobicContact CD1-CD1 4.05Å; F56-F159 HydrophobicContact CD2-CD1 4.43Å; F56-F159 HydrophobicContact CE1-CD1 4.03Å; F56-F159 HydrophobicContact CE2-CB 4.04Å; F56-F159 HydrophobicContact CE2-CD1 4.39Å; F56-F159 HydrophobicContact CG-CD1 4.25Å; F56-F159 HydrophobicContact CZ-CB 3.95Å; F56-F159 HydrophobicContact CZ-CD1 4.2Å; F56-F159 WeakPolarHBondContact CZ-O 3.47Å; I58-F159 HydrophobicContact CD1-CE1 4.01Å; I58-F159 HydrophobicContact CD1-CZ 4.4Å; I82-F159 HydrophobicContact CD1-CD1 4.46Å; I82-F159 HydrophobicContact CD1-CE1 3.83Å; I82-F159 HydrophobicContact CD1-CZ 3.9Å; I155-F159 VanDerWaalsContact O-CD2 3.26Å; I155-F159 WeakPolarHBondContact O-CD2 3.27Å; N156-F159 PolarHBondContact O-N 2.96Å; N156-F159 VanDerWaalsContact O-N 3.11Å; E157-F159 VanDerWaalsContact C-N 3.3Å; E157-F159 PolarHBondContact O-N 3.44Å; F159-S163 PolarHBondContact O-N 3.44Å; F159-S163 PolarHBondContact O-OG 2.66Å
160I97.4Very high91.8Very high39 Ų3963.4 Ų63.420%0.233%0.328CS..Hα-helixtrans-69.6-41.7173.2-66.7-62.2000111.2Y49 N156 E157 I162 S163 R164Y49-I160 HydrophobicContact CD2-CD1 4.18Å; Y49-I160 HydrophobicContact CD2-CG2 4.2Å; Y49-I160 HydrophobicContact CE2-CG2 4.04Å; N156-I160 WeakPolarHBondContact O-CG1 3.4Å; N156-I160 PolarHBondContact O-N 2.92Å; E157-I160 PolarHBondContact O-N 3.43Å; E157-I160 VanDerWaalsContact O-N 3.12Å; I160-I162 VanDerWaalsContact C-N 3.3Å; I160-I162 PolarHBondContact O-N 3.14Å; I160-S163 WeakPolarHBondContact O-CA 3.24Å; I160-S163 VanDerWaalsContact O-CB 3.29Å; I160-S163 WeakPolarHBondContact O-CB 3.18Å; I160-S163 PolarHBondContact O-N 2.93Å; I160-S163 VanDerWaalsContact O-N 3.11Å; I160-R164 PolarHBondContact O-N 2.62Å
161E98Very high89.4Confident56 Ų5661.3 Ų61.326%0.26233%0.331SS..Hα-helixtrans-60.1-40.4173.6-76.1-62.6159.100112I143 V145 E157 R164 R165I143-E161 HydrophobicContact CD1-CB 4.16Å; I143-E161 HydrophobicContact CG2-CB 3.73Å; I143-E161 HydrophobicContact CG2-CG 4.19Å; V145-E161 HydrophobicContact CG2-CG 4.44Å; E157-E161 HydrophobicContact CG-CG 4.34Å; E157-E161 WeakPolarHBondContact O-CG 3.34Å; E157-E161 PolarHBondContact O-N 3.33Å; E161-R164 WeakPolarHBondContact O-CB 3.15Å; E161-R164 PolarHBondContact O-N 3.33Å; E161-R164 IonicContact OE1-CZ 3.91Å; E161-R164 IonicContact OE1-NH1 3.87Å; E161-R164 PolarHBondContact OE1-NH1 2.79Å; E161-R164 IonicContact OE2-CZ 2.82Å; E161-R164 IonicContact OE2-NH1 2.79Å; E161-R164 PolarHBondContact OE2-NH1 2.78Å; E161-R165 PolarHBondContact O-N 3.33Å
162I97.8Very high86.7Confident0 Ų064 Ų640%035%0.346CS..Hα-helixtrans-61.5-46.6173.1-69.5165.7000110.5F56 A80 I82 A114 I143 L158 I160 R164 R165 I166F56-I162 HydrophobicContact CE1-CG2 4.11Å; A80-I162 HydrophobicContact CB-CD1 4.5Å; A80-I162 HydrophobicContact CB-CG1 4.44Å; A80-I162 HydrophobicContact CB-CG2 3.58Å; I82-I162 HydrophobicContact CD1-CD1 3.66Å; I82-I162 HydrophobicContact CG1-CD1 3.56Å; A114-I162 HydrophobicContact CB-CD1 4.26Å; A114-I162 HydrophobicContact CB-CG1 4.2Å; I143-I162 HydrophobicContact CD1-CG1 4.15Å; L158-I162 WeakPolarHBondContact O-CD1 3.08Å; L158-I162 VanDerWaalsContact O-CG1 3.32Å; L158-I162 WeakPolarHBondContact O-CG1 3.22Å; L158-I162 PolarHBondContact O-N 2.99Å; I160-I162 VanDerWaalsContact C-N 3.3Å; I160-I162 PolarHBondContact O-N 3.14Å; I162-R164 VanDerWaalsContact C-N 3.26Å; I162-R164 PolarHBondContact O-N 3.32Å; I162-R165 PolarHBondContact O-N 2.83Å; I162-I166 HydrophobicContact CG2-CD1 3.62Å; I162-I166 HydrophobicContact CG2-CG1 4.37Å; I162-I166 VanDerWaalsContact O-CG1 3.3Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 2.9Å; I162-I166 VanDerWaalsContact O-N 3.15Å
163S96.8Very high84Confident2 Ų267.1 Ų67.11%0.01436%0.362CS..Hα-helixtrans-57.3-40.2176.6-66.30000112.3H54 F56 F159 I160H54-S163 WeakPolarHBondContact ND1-CB 3.48Å; H54-S163 PolarHBondContact ND1-OG 2.92Å; F56-S163 WeakPolarHBondContact CZ-OG 3.31Å; F159-S163 PolarHBondContact O-N 3.44Å; F159-S163 PolarHBondContact O-OG 2.66Å; I160-S163 WeakPolarHBondContact O-CA 3.24Å; I160-S163 VanDerWaalsContact O-CB 3.29Å; I160-S163 WeakPolarHBondContact O-CB 3.18Å; I160-S163 PolarHBondContact O-N 2.93Å; I160-S163 VanDerWaalsContact O-N 3.11Å
164R95.5Very high81.3Confident120 Ų12070 Ų7045%0.45339%0.385SS..Hα-helixtrans-66.5-37.2178.4-176-177.8-67.8110.9-6.9112.6Y49 E157 I160 E161 I162Y49-R164 HydrophobicContact CE2-CB 4.5Å; Y49-R164 WeakPolarHBondContact OH-CA 3.14Å; Y49-R164 WeakPolarHBondContact OH-CB 3.31Å; Y49-R164 WeakPolarHBondContact OH-CG 3.28Å; E157-R164 IonicContact OE1-NH1 3.74Å; I160-R164 PolarHBondContact O-N 2.62Å; E161-R164 WeakPolarHBondContact O-CB 3.15Å; E161-R164 PolarHBondContact O-N 3.33Å; E161-R164 IonicContact OE1-CZ 3.91Å; E161-R164 IonicContact OE1-NH1 3.87Å; E161-R164 PolarHBondContact OE1-NH1 2.79Å; E161-R164 IonicContact OE2-CZ 2.82Å; E161-R164 IonicContact OE2-NH1 2.79Å; E161-R164 PolarHBondContact OE2-NH1 2.78Å; I162-R164 VanDerWaalsContact C-N 3.26Å; I162-R164 PolarHBondContact O-N 3.32Å
165R94.9Very high78.9Confident149 Ų14972.7 Ų72.756%0.56241%0.41SS*.Hα-helixtrans-82.8-24.3-174.2-163.363.6158.4125-1.8113.7V112 I143 E161 I162 P167V112-R165 HydrophobicContact CG1-CB 3.96Å; V112-R165 HydrophobicContact CG1-CG 3.84Å; V112-R165 HydrophobicContact CG2-CB 4.17Å; V112-R165 HydrophobicContact CG2-CG 3.9Å; I143-R165 HydrophobicContact CD1-CB 3.97Å; I143-R165 HydrophobicContact CD1-CG 4.32Å; E161-R165 PolarHBondContact O-N 3.33Å; I162-R165 PolarHBondContact O-N 2.83Å; R165-P167 WeakPolarHBondContact O-CD 3.19Å
166I89.9Confident76.7Confident14 Ų1476.2 Ų76.27%0.07245%0.446CS..SBendtrans-77.7116.2178.7-64169.5000108.7R4 L6 A79 A80 V112 I162 S168R4-I166 PolarHBondContact NH1-O 3.47Å; L6-I166 HydrophobicContact CD1-CD1 4Å; L6-I166 HydrophobicContact CD2-CD1 4.01Å; L6-I166 HydrophobicContact CD2-CG2 4.16Å; L6-I166 HydrophobicContact CG-CD1 4.43Å; A79-I166 HydrophobicContact CB-CD1 3.83Å; A80-I166 HydrophobicContact CB-CD1 4.47Å; V112-I166 HydrophobicContact CB-CG1 4.47Å; V112-I166 HydrophobicContact CG2-CG1 3.79Å; I162-I166 HydrophobicContact CG2-CD1 3.62Å; I162-I166 HydrophobicContact CG2-CG1 4.37Å; I162-I166 VanDerWaalsContact O-CG1 3.3Å; I162-I166 WeakPolarHBondContact O-CG1 3.36Å; I162-I166 PolarHBondContact O-N 2.9Å; I162-I166 VanDerWaalsContact O-N 3.15Å; I166-S168 PolarHBondContact O-N 2.96Å
167P79.4Confident73.9Confident95 Ų9575.2 Ų75.262%0.61746%0.458SS*.PPolyproline II helixtrans-56.3137.6-174.8-22.531.3000111.9R4 R165R4-P167 PolarHBondContact NH1-O 3.28Å; R4-P167 PolarHBondContact NH2-O 3.22Å; R165-P167 WeakPolarHBondContact O-CD 3.19Å
168S73.2Confident71.2Confident58 Ų5881.8 Ų81.841%0.40649%0.486SS..PPolyproline II helixtrans-60.1143.3173.355.60000110.6I166 D170 A171I166-S168 PolarHBondContact O-N 2.96Å; S168-D170 PolarHBondContact O-N 3.05Å; S168-D170 VanDerWaalsContact O-N 3.16Å; S168-A171 WeakPolarHBondContact O-CB 3.19Å; S168-A171 PolarHBondContact O-N 2.97Å; S168-A171 VanDerWaalsContact O-N 3.07Å
169T63.4Low68.2Low108 Ų10885 Ų8566%0.66352%0.519SS*.THydrogen-bonded Turntrans-63.5-20.1177.5-23.10000112.1A171T169-A171 VanDerWaalsContact C-N 3.3Å; T169-A171 PolarHBondContact O-N 3.41Å
170D56.4Low65.7Low138 Ų13894.4 Ų94.474%0.73856%0.56SS**THydrogen-bonded Turntrans-81.8-1.4176.5-65.4-22.1000114S168 N172S168-D170 PolarHBondContact O-N 3.05Å; S168-D170 VanDerWaalsContact O-N 3.16Å; D170-N172 PolarHBondContact O-N 2.9Å
171A49.6Very low63.1Low63 Ų63101.9 Ų101.952%0.52159%0.591SS.*SBendtrans-72.995.6169.500000108.5S168 T169S168-A171 WeakPolarHBondContact O-CB 3.19Å; S168-A171 PolarHBondContact O-N 2.97Å; S168-A171 VanDerWaalsContact O-N 3.07Å; T169-A171 VanDerWaalsContact C-N 3.3Å; T169-A171 PolarHBondContact O-N 3.41Å
172N39.9Very low60.5Low148 Ų148107 Ų10779%0.79162%0.619SS**  trans-5.9115.5173-78.3-32.2000114.5D170D170-N172 PolarHBondContact O-N 2.9Å
173P42.3Very low57.7Low110 Ų110118 Ų11871%0.71466%0.661SS**  trans-56.9136.5165.723.9-30.2000108S175P173-S175 PolarHBondContact O-N 3.03Å
174P43.2Very low55.1Low124 Ų124129.3 Ų129.381%0.80570%0.703SS**  trans-55.9117.1170.321.8-29.4000107.2G176P174-G176 PolarHBondContact O-N 3.15Å
175S48Very low52.8Low133 Ų133132 Ų13293%0.9372%0.721SS**SBendtrans-60.788.4172.945.50000108.5P173P173-S175 PolarHBondContact O-N 3.03Å
176G51.1Low50.3Low75 Ų75130.8 Ų130.877%0.77373%0.732SS**  trans-175.158.7-169.900000113.1P174P174-G176 PolarHBondContact O-N 3.15Å
177G39.8Very low48.2Very low73 Ų73135.6 Ų135.675%0.75377%0.767SS**  trans-156.189.7172.200000110.9G179G177-G179 PolarHBondContact O-N 2.93Å
178K40.8Very low46.9Very low212 Ų212139.6 Ų139.692%0.92278%0.778SS**  trans-53.9114.5171.1-74.7178.3177.7176.70108.4F180K178-F180 PolarHBondContact O-N 2.93Å
179G37.4Very low45.5Very low68 Ų68142.8 Ų142.870%0.70180%0.797SS**  trans-54.7121.6172.800000110.1G177 K181G177-G179 PolarHBondContact O-N 2.93Å; G179-K181 PolarHBondContact O-N 3.05Å
180F44.6Very low44.8Very low198 Ų198147.9 Ų147.987%0.86881%0.81SS**  trans-71.196.1171-141.1-90.7000107.4K178 L182K178-F180 PolarHBondContact O-N 2.93Å; F180-L182 PolarHBondContact O-N 3.36Å; F180-L182 VanDerWaalsContact O-N 3.1Å
181K43.7Very low44.7Very low196 Ų196152.7 Ų152.785%0.85282%0.818SS**  trans-70.7102.7171.2-76.3-173178.6-1780108.2G179 R183G179-K181 PolarHBondContact O-N 3.05Å; K181-R183 PolarHBondContact O-N 3.39Å
182L43.2Very low44.9Very low163 Ų163155.5 Ų155.585%0.85383%0.833SS**  trans-6198.2163.2-94.6137.3000108.7F180 R184F180-L182 PolarHBondContact O-N 3.36Å; F180-L182 VanDerWaalsContact O-N 3.1Å; L182-R184 PolarHBondContact O-N 2.79Å; L182-R184 VanDerWaalsContact O-N 3.12Å
183R39.8Very low45.5Very low231 Ų231154.2 Ų154.287%0.87284%0.835SS**  trans-69.2103169.8-169.1177179.6-161.6-0.5107.2K181 Q185K181-R183 PolarHBondContact O-N 3.39Å; R183-Q185 PolarHBondContact O-N 3.06Å; R183-Q185 VanDerWaalsContact O-N 3.12Å
184R42.2Very low46Very low239 Ų239158.8 Ų158.890%0.90287%0.867SS**  trans-57.5114165.7-82.1-179.1166.2-178.3-4.7107.9L182L182-R184 PolarHBondContact O-N 2.79Å; L182-R184 VanDerWaalsContact O-N 3.12Å
185Q46.8Very low46.1Very low177 Ų177160.5 Ų160.583%0.82787%0.87SS**PPolyproline II helixtrans-72.3136163.6-75-176.20.700108.3R183 S187R183-Q185 PolarHBondContact O-N 3.06Å; R183-Q185 VanDerWaalsContact O-N 3.12Å; Q185-S187 PolarHBondContact O-N 2.82Å
186P41.1Very low46Very low123 Ų123161.9 Ų161.980%0.79987%0.867SS**PPolyproline II helixtrans-68.1128.8167.8-6.321.8000108.8E188P186-E188 PolarHBondContact O-N 3.27Å
187S46.8Very low45.7Very low115 Ų115166.8 Ų166.880%0.80487%0.872SS**PPolyproline II helixtrans-68.5123.317051.20000110.1Q185Q185-S187 PolarHBondContact O-N 2.82Å
188E50.8Low46.1Very low180 Ų180172.3 Ų172.384%0.84188%0.879SS**PPolyproline II helixtrans-66.9145.8169.6-72.3-174.8151.100111.4P186 K190P186-E188 PolarHBondContact O-N 3.27Å; E188-K190 PolarHBondContact O-N 3.16Å
189P45.5Very low46.4Very low124 Ų124169.8 Ų169.881%0.80588%0.876SS**PPolyproline II helixtrans-77.9124.5179.930.6-30.2000110.7R191P189-R191 PolarHBondContact O-N 3.11Å
190K48.8Very low47Very low215 Ų215176.6 Ų176.694%0.93589%0.888SS**PPolyproline II helixtrans-62122.7171.6-77-177.1174.9-178.10110.1E188E188-K190 PolarHBondContact O-N 3.16Å
191R53.1Low47.1Very low240 Ų240175.1 Ų175.191%0.90689%0.889SS**PPolyproline II helixtrans-73129.7166.5-72.5-178.7175.1-179.8-2.1109.5P189P189-R191 PolarHBondContact O-N 3.11Å
192S54Low47.4Very low121 Ų121173.5 Ų173.585%0.84689%0.892SS**PPolyproline II helixtrans-74131.5167.4-175.90000109.1
193C53.1Low47.8Very low121 Ų121174.3 Ų174.382%0.81890%0.895SS**PPolyproline II helixtrans-101.5141.1167.1-80.20000109.2
194C51.3Low48.5Very low206 Ų206169.2 Ų169.2100%1.39290%0.898SS**  trans-62.70178.1-57.80000113.4

Retrieved 194 of 194 residues in 258.3 ms (Link to these results)

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