A0A087XRG3_POEFO Loading...

Ribosomal protein L4

AlphaFold DB , UniProt , Accession A0A087XRG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M45Very low74.2Confident208 Ų20874.9 Ų74.9100%1.02542%0.422SS*.  0102.40-92.9179.917000107.8T285M1-T285 PolarHBondContact N-O 3.38Å
2A44.3Very low76Confident64 Ų6470.1 Ų70.153%0.52940%0.396SS..  trans-135120.6178.700000109.5A4A2-A4 PolarHBondContact O-N 3.46Å
3C49.3Very low77.1Confident141 Ų14167.5 Ų67.595%0.95338%0.381SS*.SBendtrans47.756156.7-144.40000117.7
4A56.2Low78.2Confident21 Ų2173 Ų7317%0.17440%0.399CS..  trans-128.4105.4168.900000108.2A2 M24 R29A2-A4 PolarHBondContact O-N 3.46Å; A4-M24 HydrophobicContact CB-CE 4.42Å; A4-M24 HydrophobicContact CB-SD 3.46Å; A4-M24 WeakPolarHBondContact CB-SD 3.43Å; A4-R29 HydrophobicContact CB-CG 3.51Å; A4-R29 PolarHBondContact O-NH2 3.29Å
5R65.6Low79Confident160 Ų16069.4 Ų69.460%0.60439%0.385SS*.  trans-48.3125.5170.8-78.7-175.2169.5173.9-3.5108.3L7 M24 E149R5-L7 PolarHBondContact O-N 2.98Å; R5-M24 HydrophobicContact CB-CE 4.13Å; R5-M24 VanDerWaalsContact O-CB 3.28Å; R5-M24 WeakPolarHBondContact O-CB 3.37Å; R5-M24 WeakPolarHBondContact O-CE 3.49Å; R5-E149 IonicContact CZ-OE1 3.89Å; R5-E149 IonicContact NH1-OE1 3.06Å; R5-E149 PolarHBondContact NH1-OE1 2.87Å
6P80.7Confident79.9Confident84 Ų8473.5 Ų73.555%0.54540%0.401SS..SBendtrans-67.4-30.5-176.725.8-32.6000111.8V23 M24P6-V23 WeakPolarHBondContact O-CA 3.38Å; P6-M24 PolarHBondContact O-N 3.26Å
7L91.6Very high80.6Confident95 Ų9573.1 Ų73.150%0.49740%0.404SS..EExtended strand (participates in β ladder)trans-119.9138.7179.2-72.9154.7000109.4R5 N21 V23R5-L7 PolarHBondContact O-N 2.98Å; L7-N21 HydrophobicContact CD2-CB 3.97Å; L7-V23 HydrophobicContact CD2-CG2 4.25Å
8I94.3Very high81.2Confident0 Ų071.1 Ų71.10%040%0.396CS..EExtended strand (participates in β ladder)trans-120.3136.5176.7-67160.8000108N21 V22 M24 P151 V153 F257I8-N21 CarbonylContact O-C 3.59Å; I8-N21 WeakPolarHBondContact O-CA 3.31Å; I8-V22 PolarHBondContact N-O 3.26Å; I8-V22 PolarHBondContact O-N 2.92Å; I8-M24 HydrophobicContact CD1-CB 3.79Å; I8-M24 HydrophobicContact CD1-CE 3.52Å; I8-M24 HydrophobicContact CD1-CG 3.8Å; I8-M24 HydrophobicContact CD1-SD 4.47Å; I8-M24 HydrophobicContact CG1-CB 4.38Å; I8-M24 HydrophobicContact CG1-CE 3.77Å; I8-P151 HydrophobicContact CD1-CG 4.31Å; I8-V153 HydrophobicContact CG2-CB 4.3Å; I8-V153 HydrophobicContact CG2-CG2 3.76Å; I8-F257 HydrophobicContact CD1-CE1 3.48Å; I8-F257 VanDerWaalsContact CD1-CE1 3.48Å; I8-F257 HydrophobicContact CD1-CE2 4.23Å; I8-F257 HydrophobicContact CD1-CZ 3.16Å
9S95.6Very high81.7Confident34 Ų3470.5 Ų70.524%0.23841%0.408CS..EExtended strand (participates in β ladder)trans-79.6140.1177.5-640000111.1N21 E149S9-N21 WeakPolarHBondContact CA-OD1 3.47Å; S9-N21 PolarHBondContact OG-OD1 3.47Å; S9-E149 PolarHBondContact N-OE2 3.49Å; S9-E149 VanDerWaalsContact N-OE2 3.12Å
10V96.9Very high82.4Confident0 Ų071.8 Ų71.80%041%0.408CS..EExtended strand (participates in β ladder)trans-91.6127.1174.4-177.50000108.6S18 K20 V22 V153 E155 E254V10-S18 WeakPolarHBondContact O-CB 3.49Å; V10-S18 PolarHBondContact O-N 2.87Å; V10-S18 PolarHBondContact O-OG 3Å; V10-K20 HydrophobicContact CB-CB 4.12Å; V10-K20 HydrophobicContact CG2-CB 4.15Å; V10-K20 PolarHBondContact N-O 3.35Å; V10-V22 HydrophobicContact CG2-CG2 3.62Å; V10-V153 HydrophobicContact CG1-CG1 4.44Å; V10-V153 HydrophobicContact CG2-CG1 4.15Å; V10-E155 HydrophobicContact CG1-CB 4.46Å; V10-E155 HydrophobicContact CG1-CG 3.69Å; V10-E254 HydrophobicContact CG1-CB 4.28Å; V10-E254 HydrophobicContact CG1-CG 4.46Å; V10-E254 HydrophobicContact CG2-CG 4.22Å
11F96.9Very high82.9Confident17 Ų1772.3 Ų72.38%0.07541%0.41CS..EExtended strand (participates in β ladder)trans-93.1138179.6-68.2-90.8000111.7E16 P148 E149 L152 V153 V154 E155 L174F11-E16 CarbonylContact C-O 3.57Å; F11-E16 WeakPolarHBondContact CA-O 3.08Å; F11-P148 HydrophobicContact CD1-CG 4.08Å; F11-P148 HydrophobicContact CE1-CB 3.62Å; F11-P148 HydrophobicContact CE1-CG 3.54Å; F11-P148 HydrophobicContact CE2-CG 4.17Å; F11-P148 HydrophobicContact CZ-CB 3.58Å; F11-P148 HydrophobicContact CZ-CG 3.6Å; F11-E149 HydrophobicContact CE2-CB 3.83Å; F11-E149 HydrophobicContact CZ-CB 4.07Å; F11-L152 HydrophobicContact CD2-CD1 3.84Å; F11-L152 HydrophobicContact CE2-CD1 4.13Å; F11-L152 HydrophobicContact CG-CD1 4.43Å; F11-V153 WeakPolarHBondContact CD2-O 3.22Å; F11-V153 PolarHBondContact N-O 3.1Å; F11-V154 CarbonylContact O-C 3.58Å; F11-V154 WeakPolarHBondContact O-CA 3.35Å; F11-E155 PolarHBondContact O-N 3.27Å; F11-L174 HydrophobicContact CB-CD2 4.05Å
12S95.8Very high85.3Confident17 Ų1762.9 Ų62.912%0.11936%0.364CS..PPolyproline II helixtrans-71.1170.2172.468.20000111.6K14 G15 E16S12-K14 PolarHBondContact O-N 2.93Å; S12-K14 PolarHBondContact OG-N 3.15Å; S12-G15 PolarHBondContact O-N 3.06Å; S12-E16 PolarHBondContact N-O 3.11Å; S12-E16 PolarHBondContact OG-O 2.86Å; S12-E16 VanDerWaalsContact OG-O 3.11Å
13D90.4Very high87.7Confident37 Ų3764.3 Ų64.320%0.19837%0.366CS..THydrogen-bonded Turntrans-63.6-18.5174.358.4-2.4000114.3G15 K157 Y161 L170D13-G15 VanDerWaalsContact C-N 3.33Å; D13-K157 WeakPolarHBondContact OD2-CE 3.44Å; D13-K157 IonicContact OD2-NZ 3.38Å; D13-K157 PolarHBondContact OD2-NZ 3.41Å; D13-Y161 WeakPolarHBondContact CB-OH 3.32Å; D13-L170 HydrophobicContact CB-CD1 4.11Å
14K92.3Very high89.8Confident144 Ų14458.3 Ų58.363%0.62632%0.324SS*.THydrogen-bonded Turntrans-82.6-8175.3-62.9-179.4-176.3176.90113.5S12 K173S12-K14 PolarHBondContact O-N 2.93Å; S12-K14 PolarHBondContact OG-N 3.15Å; K14-K173 WeakPolarHBondContact O-CB 3.34Å
15G89.8Confident91.6Very high19 Ų1957.3 Ų57.320%0.19632%0.316CS..SBendtrans87.58179.400000114.9S12 D13S12-G15 PolarHBondContact O-N 3.06Å; D13-G15 VanDerWaalsContact C-N 3.33Å
16E93.3Very high93Very high135 Ų13550.2 Ų50.263%0.63129%0.292SS*.SBendtrans-99.2158.4175.7-67.8165.3-162.800110.4F11 S12 S18F11-E16 CarbonylContact C-O 3.57Å; F11-E16 WeakPolarHBondContact CA-O 3.08Å; S12-E16 PolarHBondContact N-O 3.11Å; S12-E16 PolarHBondContact OG-O 2.86Å; S12-E16 VanDerWaalsContact OG-O 3.11Å; E16-S18 PolarHBondContact O-N 3.38Å
17S92.6Very high93.7Very high66 Ų6646.2 Ų46.246%0.46227%0.266SS..EExtended strand (participates in β ladder)trans-64.5130.2174-176.80000110G19S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 PolarHBondContact OG-N 2.88Å
18S91.6Very high93.9Very high38 Ų3842.3 Ų42.327%0.26625%0.245SC..EExtended strand (participates in β ladder)trans-76.1-4.8177.164.70000113.4V10 E16 K20 E155V10-S18 WeakPolarHBondContact O-CB 3.49Å; V10-S18 PolarHBondContact O-N 2.87Å; V10-S18 PolarHBondContact O-OG 3Å; E16-S18 PolarHBondContact O-N 3.38Å; S18-K20 PolarHBondContact O-N 2.81Å; S18-K20 PolarHBondContact OG-N 3.38Å; S18-E155 WeakPolarHBondContact CB-OE1 3.49Å
19G91.1Very high93.8Very high60 Ų6047.3 Ų47.362%0.61926%0.264SS*.EExtended strand (participates in β ladder)trans79.4-14.3-171.300000114.2S17S17-G19 PolarHBondContact O-N 3.28Å; S17-G19 PolarHBondContact OG-N 2.88Å
20K94.4Very high93.8Very high95 Ų9545.9 Ų45.941%0.41325%0.254SS..EExtended strand (participates in β ladder)trans-76.9140.6172.6-62.3170.3-172.9155.60110.6V10 S18 E155V10-K20 HydrophobicContact CB-CB 4.12Å; V10-K20 HydrophobicContact CG2-CB 4.15Å; V10-K20 PolarHBondContact N-O 3.35Å; S18-K20 PolarHBondContact O-N 2.81Å; S18-K20 PolarHBondContact OG-N 3.38Å; K20-E155 IonicContact NZ-OE1 2.92Å; K20-E155 PolarHBondContact NZ-OE1 2.65Å
21N94.4Very high93.7Very high84 Ų8446.7 Ų46.745%0.44926%0.259SS..EExtended strand (participates in β ladder)trans-121.9141.7173.2-64.3-49.7000110.4L7 I8 S9L7-N21 HydrophobicContact CD2-CB 3.97Å; I8-N21 CarbonylContact O-C 3.59Å; I8-N21 WeakPolarHBondContact O-CA 3.31Å; S9-N21 WeakPolarHBondContact CA-OD1 3.47Å; S9-N21 PolarHBondContact OG-OD1 3.47Å
22V95.2Very high93.7Very high9 Ų948.5 Ų48.56%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-119.9138.6175.4-178.70000109.3I8 V10 E254 F257 R258I8-V22 PolarHBondContact N-O 3.26Å; I8-V22 PolarHBondContact O-N 2.92Å; V10-V22 HydrophobicContact CG2-CG2 3.62Å; V22-E254 HydrophobicContact CG2-CG 4.11Å; V22-F257 HydrophobicContact CB-CD1 4.33Å; V22-F257 HydrophobicContact CG1-CD1 3.78Å; V22-F257 HydrophobicContact CG1-CE1 4.26Å; V22-R258 HydrophobicContact CG1-CG 3.61Å; V22-R258 HydrophobicContact CG2-CG 4.35Å
23V93.8Very high93.8Very high94 Ų9452 Ų5257%0.5728%0.28SS*.EExtended strand (participates in β ladder)trans-66.8134.8175.6179.90000109.3P6 L7 P25P6-V23 WeakPolarHBondContact O-CA 3.38Å; L7-V23 HydrophobicContact CD2-CG2 4.25Å; V23-P25 WeakPolarHBondContact O-CD 3.41Å
24M93.3Very high94.2Very high15 Ų1553.8 Ų53.87%0.07429%0.294CS..PPolyproline II helixtrans-66.8120.4178.3-173.6178-66.500111A4 R5 P6 I8 F28A4-M24 HydrophobicContact CB-CE 4.42Å; A4-M24 HydrophobicContact CB-SD 3.46Å; A4-M24 WeakPolarHBondContact CB-SD 3.43Å; R5-M24 HydrophobicContact CB-CE 4.13Å; R5-M24 VanDerWaalsContact O-CB 3.28Å; R5-M24 WeakPolarHBondContact O-CB 3.37Å; R5-M24 WeakPolarHBondContact O-CE 3.49Å; P6-M24 PolarHBondContact O-N 3.26Å; I8-M24 HydrophobicContact CD1-CB 3.79Å; I8-M24 HydrophobicContact CD1-CE 3.52Å; I8-M24 HydrophobicContact CD1-CG 3.8Å; I8-M24 HydrophobicContact CD1-SD 4.47Å; I8-M24 HydrophobicContact CG1-CB 4.38Å; I8-M24 HydrophobicContact CG1-CE 3.77Å; M24-F28 HydrophobicContact CG-CB 4.07Å; M24-F28 HydrophobicContact CG-CD2 4.13Å; M24-F28 HydrophobicContact CG-CG 4.42Å; M24-F28 HydrophobicContact SD-CB 4.01Å
25P95.3Very high94.4Very high0 Ų051.2 Ų51.20%029%0.287CS..PPolyproline II helixtrans-58.3143.8178.7-2936.6000112.4V23 V27 F28 F257 L260 D261V23-P25 WeakPolarHBondContact O-CD 3.41Å; P25-V27 HydrophobicContact CB-CG1 4.13Å; P25-V27 PolarHBondContact O-N 2.95Å; P25-F28 HydrophobicContact CB-CD2 4.1Å; P25-F28 HydrophobicContact CB-CE2 4.33Å; P25-F28 HydrophobicContact CG-CD2 4.28Å; P25-F28 HydrophobicContact CG-CE2 4.18Å; P25-F28 PolarHBondContact O-N 3.29Å; P25-F28 VanDerWaalsContact O-N 3.1Å; P25-F257 HydrophobicContact CG-CD1 4.2Å; P25-F257 HydrophobicContact CG-CE1 3.94Å; P25-F257 HydrophobicContact CG-CZ 4.12Å; P25-F257 VanDerWaalsContact CG-O 3.31Å; P25-F257 WeakPolarHBondContact CG-O 3.24Å; P25-L260 HydrophobicContact CB-CB 3.84Å; P25-L260 HydrophobicContact CB-CD1 4.49Å; P25-L260 HydrophobicContact CG-CB 3.94Å; P25-L260 HydrophobicContact CG-CD1 4.25Å; P25-D261 WeakPolarHBondContact CA-OD1 3.33Å; P25-D261 VanDerWaalsContact CB-OD1 3.31Å; P25-D261 WeakPolarHBondContact CB-OD1 3.39Å
26A93.7Very high94.8Very high12 Ų1251 Ų5110%0.09928%0.282CS..G310 helixtrans-62.2-23.2-175.700000113.1F28 R29 D261 T266 W267 L279A26-F28 PolarHBondContact O-N 3.08Å; A26-R29 WeakPolarHBondContact O-CB 3.22Å; A26-R29 PolarHBondContact O-N 3.31Å; A26-D261 PolarHBondContact N-OD1 3.19Å; A26-D261 VanDerWaalsContact N-OD1 3.11Å; A26-T266 HydrophobicContact CB-CG2 3.79Å; A26-W267 HydrophobicContact CB-CE3 4.28Å; A26-W267 HydrophobicContact CB-CZ3 3.98Å; A26-L279 HydrophobicContact CB-CD1 3.66Å
27V95.4Very high95.1Very high0 Ų044.6 Ų44.60%025%0.251CS..G310 helixtrans-59.4-28.4177740000113.1P25 R29 A30 C125 L128 L260 Y264 L279P25-V27 HydrophobicContact CB-CG1 4.13Å; P25-V27 PolarHBondContact O-N 2.95Å; V27-R29 PolarHBondContact O-N 3.04Å; V27-A30 WeakPolarHBondContact O-CB 3.24Å; V27-A30 PolarHBondContact O-N 3.11Å; V27-C125 HydrophobicContact CG2-CB 3.97Å; V27-L128 HydrophobicContact CG1-CD1 4.23Å; V27-L128 HydrophobicContact CG2-CB 4.37Å; V27-L128 HydrophobicContact CG2-CD1 3.84Å; V27-L260 HydrophobicContact CG1-CB 4.22Å; V27-L260 HydrophobicContact CG1-CD1 4.16Å; V27-Y264 HydrophobicContact CB-CD2 4.39Å; V27-Y264 HydrophobicContact CB-CG 4.37Å; V27-Y264 HydrophobicContact CG2-CD1 4.29Å; V27-Y264 HydrophobicContact CG2-CD2 4.09Å; V27-Y264 HydrophobicContact CG2-CG 3.97Å; V27-L279 HydrophobicContact CB-CD2 4.38Å; V27-L279 HydrophobicContact CG2-CD2 4.23Å
28F95.4Very high95.3Very high12 Ų1245.3 Ų45.35%0.05325%0.25CS..G310 helixtrans-73.3-18.1177-71.3-72.1000113.4M24 P25 A26 L128 A129 A132 P151 W252 F257 L260M24-F28 HydrophobicContact CG-CB 4.07Å; M24-F28 HydrophobicContact CG-CD2 4.13Å; M24-F28 HydrophobicContact CG-CG 4.42Å; M24-F28 HydrophobicContact SD-CB 4.01Å; P25-F28 HydrophobicContact CB-CD2 4.1Å; P25-F28 HydrophobicContact CB-CE2 4.33Å; P25-F28 HydrophobicContact CG-CD2 4.28Å; P25-F28 HydrophobicContact CG-CE2 4.18Å; P25-F28 PolarHBondContact O-N 3.29Å; P25-F28 VanDerWaalsContact O-N 3.1Å; A26-F28 PolarHBondContact O-N 3.08Å; F28-L128 WeakPolarHBondContact CD1-O 3.37Å; F28-L128 HydrophobicContact CE1-CB 4.4Å; F28-L128 WeakPolarHBondContact CE1-O 3.42Å; F28-A129 WeakPolarHBondContact O-CA 3.13Å; F28-A129 VanDerWaalsContact O-CB 3.3Å; F28-A129 WeakPolarHBondContact O-CB 3.38Å; F28-A132 HydrophobicContact CB-CB 4.23Å; F28-A132 HydrophobicContact CD1-CB 3.61Å; F28-A132 HydrophobicContact CE1-CB 4.35Å; F28-A132 HydrophobicContact CG-CB 4.21Å; F28-P151 HydrophobicContact CD1-CG 4.3Å; F28-P151 HydrophobicContact CE1-CG 4.18Å; F28-P151 HydrophobicContact CZ-CG 4.41Å; F28-W252 HydrophobicContact CZ-CZ2 4.05Å; F28-F257 HydrophobicContact CD2-CE2 4.1Å; F28-F257 HydrophobicContact CD2-CZ 4.09Å; F28-F257 HydrophobicContact CE2-CD2 4.04Å; F28-F257 AromaticContact CE2-CE2 3.19Å; F28-F257 HydrophobicContact CE2-CE2 3.19Å; F28-F257 AromaticContact CE2-CZ 3.61Å; F28-F257 HydrophobicContact CE2-CZ 3.61Å; F28-F257 HydrophobicContact CZ-CD2 4.29Å; F28-F257 AromaticContact CZ-CE2 3.56Å; F28-F257 HydrophobicContact CZ-CE2 3.56Å; F28-F257 HydrophobicContact CZ-CZ 4.35Å; F28-L260 HydrophobicContact CE2-CD1 3.52Å; F28-L260 HydrophobicContact CZ-CD1 3.81Å
29R93.1Very high95.7Very high105 Ų10549 Ų4940%0.39626%0.262SS..G310 helixtrans-91.5-1.2174.2-67.2174.2179.7-177.7-3.8112.1A4 A26 V27 W267 H282A4-R29 HydrophobicContact CB-CG 3.51Å; A4-R29 PolarHBondContact O-NH2 3.29Å; A26-R29 WeakPolarHBondContact O-CB 3.22Å; A26-R29 PolarHBondContact O-N 3.31Å; V27-R29 PolarHBondContact O-N 3.04Å; R29-W267 HydrophobicContact CB-CH2 3.56Å; R29-W267 HydrophobicContact CB-CZ3 3.97Å; R29-H282 PolarHBondContact O-CE1 3.37Å; R29-H282 PolarHBondContact O-NE2 3.06Å; R29-H282 VanDerWaalsContact O-NE2 3.1Å
30A94.5Very high96Very high4 Ų446.1 Ų46.13%0.03323%0.232CC..SBendtrans-61.3149.5-178.500000112.1V27 I32 C125 A129V27-A30 WeakPolarHBondContact O-CB 3.24Å; V27-A30 PolarHBondContact O-N 3.11Å; A30-I32 PolarHBondContact O-N 3.37Å; A30-C125 HydrophobicContact CB-CB 3.99Å; A30-A129 HydrophobicContact CB-CB 4.38Å; A30-A129 VanDerWaalsContact O-CB 3.31Å; A30-A129 WeakPolarHBondContact O-CB 3.29Å
31P95.9Very high96.2Very high18 Ų1842 Ų4212%0.11721%0.214CC..  trans-60.8129.417722.3-32.1000111.4Y122 S126 P280P31-Y122 HydrophobicContact CG-CE2 3.98Å; P31-Y122 WeakPolarHBondContact O-CE2 3.42Å; P31-S126 PolarHBondContact O-OG 3.1Å; P31-P280 HydrophobicContact CG-CB 4.19Å; P31-P280 HydrophobicContact CG-CG 4.03Å
32I97.3Very high96.4Very high54 Ų5440.3 Ų40.328%0.27721%0.207SC..  trans-85.9115.9178.1-59.6170.8000108.9A30 P34 A129 A130 I133 L136A30-I32 PolarHBondContact O-N 3.37Å; I32-P34 HydrophobicContact CG2-CG 4.38Å; I32-A129 HydrophobicContact CD1-CB 4.28Å; I32-A129 HydrophobicContact CG1-CB 3.8Å; I32-A130 HydrophobicContact CD1-CB 4.02Å; I32-A130 HydrophobicContact CG1-CB 4.41Å; I32-A130 HydrophobicContact CG2-CB 4.25Å; I32-I133 HydrophobicContact CD1-CD1 3.47Å; I32-I133 VanDerWaalsContact CD1-CD1 3.47Å; I32-L136 HydrophobicContact CD1-CD1 3.78Å
33R97.6Very high96.6Very high90 Ų9040.9 Ų40.934%0.3421%0.21SC..  trans-119.591.8175.3-86.5-164.366.1-171.40.4112.4D35 V36 V37 Y122 S126R33-D35 WeakPolarHBondContact CB-OD1 3.48Å; R33-D35 IonicContact CZ-OD1 2.76Å; R33-D35 IonicContact CZ-OD2 2.85Å; R33-D35 IonicContact NE-OD1 3.78Å; R33-D35 PolarHBondContact NE-OD1 3.38Å; R33-D35 IonicContact NE-OD2 2.65Å; R33-D35 PolarHBondContact NE-OD2 2.79Å; R33-D35 IonicContact NH2-OD1 3.81Å; R33-D35 IonicContact NH2-OD2 3.42Å; R33-D35 PolarHBondContact NH2-OD2 3.1Å; R33-D35 PolarHBondContact O-N 3.18Å; R33-V36 HydrophobicContact CB-CB 4.05Å; R33-V36 HydrophobicContact CB-CG2 3.98Å; R33-V36 PolarHBondContact O-N 3.28Å; R33-V37 WeakPolarHBondContact O-CG2 3.25Å; R33-V37 PolarHBondContact O-N 3.18Å; R33-Y122 HydrophobicContact CB-CE1 4.31Å; R33-Y122 WeakPolarHBondContact CD-OH 3.43Å; R33-Y122 HydrophobicContact CG-CE1 4.32Å; R33-Y122 VanDerWaalsContact CG-OH 3.25Å; R33-Y122 WeakPolarHBondContact CG-OH 3.16Å; R33-S126 PolarHBondContact N-OG 3.36Å; R33-S126 VanDerWaalsContact N-OG 3.1Å
34P97.6Very high96.8Very high76 Ų7639 Ų3949%0.49420%0.195SC..Hα-helixtrans-61-31.4-179-23.834.7000113.6I32 V37 N38I32-P34 HydrophobicContact CG2-CG 4.38Å; P34-V37 PolarHBondContact O-N 3.29Å; P34-N38 VanDerWaalsContact O-CB 3.29Å; P34-N38 WeakPolarHBondContact O-CB 3.28Å; P34-N38 PolarHBondContact O-N 3.38Å
35D97.9Very high97Very high89 Ų8944.9 Ų44.948%0.47622%0.217SC..Hα-helixtrans-65-46.717762.3-32.2000112.1R33 N38 F39R33-D35 WeakPolarHBondContact CB-OD1 3.48Å; R33-D35 IonicContact CZ-OD1 2.76Å; R33-D35 IonicContact CZ-OD2 2.85Å; R33-D35 IonicContact NE-OD1 3.78Å; R33-D35 PolarHBondContact NE-OD1 3.38Å; R33-D35 IonicContact NE-OD2 2.65Å; R33-D35 PolarHBondContact NE-OD2 2.79Å; R33-D35 IonicContact NH2-OD1 3.81Å; R33-D35 IonicContact NH2-OD2 3.42Å; R33-D35 PolarHBondContact NH2-OD2 3.1Å; R33-D35 PolarHBondContact O-N 3.18Å; D35-N38 PolarHBondContact O-N 3.24Å; D35-F39 WeakPolarHBondContact O-CB 3.33Å; D35-F39 PolarHBondContact O-N 3.1Å
36V98.1Very high97.1Very high15 Ų1547.7 Ų47.79%0.09123%0.229CC..Hα-helixtrans-63.9-44.7174.2175.70000110.4R33 N38 F39 V40 Y122 A123R33-V36 HydrophobicContact CB-CB 4.05Å; R33-V36 HydrophobicContact CB-CG2 3.98Å; R33-V36 PolarHBondContact O-N 3.28Å; V36-N38 VanDerWaalsContact C-N 3.34Å; V36-N38 PolarHBondContact O-N 3.38Å; V36-F39 PolarHBondContact O-N 2.98Å; V36-V40 HydrophobicContact CG1-CG2 4.21Å; V36-V40 WeakPolarHBondContact O-CB 3.46Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.11Å; V36-V40 PolarHBondContact O-N 2.86Å; V36-Y122 HydrophobicContact CG1-CD1 4.03Å; V36-Y122 HydrophobicContact CG2-CD1 4.34Å; V36-Y122 HydrophobicContact CG2-CE1 4.25Å; V36-A123 HydrophobicContact CG1-CB 4.38Å
37V98.4Very high97.3Very high0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-58.2-47.5177.3171.30000110.7R33 P34 H41 A123 L237 A241 V246R33-V37 WeakPolarHBondContact O-CG2 3.25Å; R33-V37 PolarHBondContact O-N 3.18Å; P34-V37 PolarHBondContact O-N 3.29Å; V37-H41 WeakPolarHBondContact O-CB 3.28Å; V37-H41 PolarHBondContact O-N 3.29Å; V37-A123 HydrophobicContact CG2-CB 4.24Å; V37-L237 HydrophobicContact CG1-CD1 4.28Å; V37-A241 HydrophobicContact CG1-CB 3.76Å; V37-V246 HydrophobicContact CB-CG1 4.07Å; V37-V246 HydrophobicContact CG1-CG1 3.81Å; V37-V246 HydrophobicContact CG2-CG1 3.86Å
38N98.4Very high97.4Very high82 Ų8255.3 Ų55.344%0.43927%0.268SS..Hα-helixtrans-66.6-42-179.2-171.432.1000112.2P34 D35 V36 T42P34-N38 VanDerWaalsContact O-CB 3.29Å; P34-N38 WeakPolarHBondContact O-CB 3.28Å; P34-N38 PolarHBondContact O-N 3.38Å; D35-N38 PolarHBondContact O-N 3.24Å; V36-N38 VanDerWaalsContact C-N 3.34Å; V36-N38 PolarHBondContact O-N 3.38Å; N38-T42 VanDerWaalsContact O-CB 3.24Å; N38-T42 WeakPolarHBondContact O-CB 3.17Å; N38-T42 PolarHBondContact O-N 2.65Å; N38-T42 PolarHBondContact O-OG1 2.7Å
39F98.6Very high97.4Very high114 Ų11459.7 Ų59.750%0.529%0.285SS..Hα-helixtrans-60-50.5176.3174.9-97000111.7D35 V36 N43D35-F39 WeakPolarHBondContact O-CB 3.33Å; D35-F39 PolarHBondContact O-N 3.1Å; V36-F39 PolarHBondContact O-N 2.98Å; F39-N43 WeakPolarHBondContact CE2-ND2 3.2Å; F39-N43 WeakPolarHBondContact CZ-ND2 3.48Å; F39-N43 PolarHBondContact O-N 2.98Å; F39-N43 VanDerWaalsContact O-N 3.16Å; F39-N43 PolarHBondContact O-ND2 2.83Å; F39-N43 VanDerWaalsContact O-ND2 3.17Å
40V98.6Very high97.6Very high1 Ų162.8 Ų62.81%0.00630%0.304CS..Hα-helixtrans-66.1-46.5179.8175.40000110.3V36 T42 N43 M44 I115 Q119 K120 A123 L237V36-V40 HydrophobicContact CG1-CG2 4.21Å; V36-V40 WeakPolarHBondContact O-CB 3.46Å; V36-V40 VanDerWaalsContact O-CG2 3.28Å; V36-V40 WeakPolarHBondContact O-CG2 3.11Å; V36-V40 PolarHBondContact O-N 2.86Å; V40-T42 VanDerWaalsContact C-N 3.35Å; V40-T42 PolarHBondContact O-N 3.2Å; V40-N43 PolarHBondContact O-N 2.99Å; V40-M44 WeakPolarHBondContact O-CB 3.44Å; V40-M44 PolarHBondContact O-N 3.39Å; V40-I115 HydrophobicContact CG1-CD1 4.19Å; V40-I115 HydrophobicContact CG1-CG2 4.31Å; V40-I115 HydrophobicContact CG2-CG2 4.09Å; V40-I115 WeakPolarHBondContact O-CD1 3.31Å; V40-Q119 HydrophobicContact CG2-CB 4.14Å; V40-K120 HydrophobicContact CG1-CG 4.17Å; V40-A123 HydrophobicContact CB-CB 3.92Å; V40-A123 HydrophobicContact CG1-CB 4.06Å; V40-A123 HydrophobicContact CG2-CB 4.02Å; V40-L237 HydrophobicContact CB-CD2 3.86Å; V40-L237 HydrophobicContact CG1-CD2 3.47Å; V40-L237 VanDerWaalsContact CG1-CD2 3.47Å
41H98.6Very high97.7Very high7 Ų766.2 Ų66.23%0.03233%0.325CS..Hα-helixtrans-57.6-47.3178.5171.9-84000111.4V37 N43 M44 R45 L237 L238 A241 G243 G244V37-H41 WeakPolarHBondContact O-CB 3.28Å; V37-H41 PolarHBondContact O-N 3.29Å; H41-N43 VanDerWaalsContact C-N 3.34Å; H41-N43 PolarHBondContact O-N 2.93Å; H41-M44 PolarHBondContact O-N 3.4Å; H41-R45 VanDerWaalsContact O-CB 3.26Å; H41-R45 WeakPolarHBondContact O-CB 3.47Å; H41-R45 PolarHBondContact O-N 3.32Å; H41-L237 HydrophobicContact CB-CD2 4.18Å; H41-L238 VanDerWaalsContact CD2-CD2 3.43Å; H41-L238 WeakPolarHBondContact CD2-CD2 3.43Å; H41-A241 PolarHBondContact CD2-O 3.21Å; H41-A241 VanDerWaalsContact CD2-O 3.25Å; H41-G243 VanDerWaalsContact CE1-CA 3.42Å; H41-G243 WeakPolarHBondContact CE1-CA 3.45Å; H41-G243 PolarHBondContact NE2-N 3.06Å; H41-G243 VanDerWaalsContact NE2-N 3.13Å; H41-G244 PolarHBondContact CD2-N 3.1Å; H41-G244 PolarHBondContact CE1-N 3.13Å; H41-G244 VanDerWaalsContact CE1-N 3.32Å; H41-G244 PolarHBondContact ND1-N 3.36Å; H41-G244 PolarHBondContact NE2-N 2.84Å
42T98.3Very high97.8Very high50 Ų5071.2 Ų71.231%0.30734%0.343SS..Hα-helixtrans-61.8-41.7-178.9-65.60000112N38 V40 K46N38-T42 VanDerWaalsContact O-CB 3.24Å; N38-T42 WeakPolarHBondContact O-CB 3.17Å; N38-T42 PolarHBondContact O-N 2.65Å; N38-T42 PolarHBondContact O-OG1 2.7Å; V40-T42 VanDerWaalsContact C-N 3.35Å; V40-T42 PolarHBondContact O-N 3.2Å; T42-K46 WeakPolarHBondContact O-CG 3.32Å
43N98.4Very high97.9Very high20 Ų2071 Ų7111%0.10735%0.349CS..Hα-helixtrans-75.6-37.9178.5-71.9-41.5000112.3F39 V40 H41 R45 K46 R113 I115F39-N43 WeakPolarHBondContact CE2-ND2 3.2Å; F39-N43 WeakPolarHBondContact CZ-ND2 3.48Å; F39-N43 PolarHBondContact O-N 2.98Å; F39-N43 VanDerWaalsContact O-N 3.16Å; F39-N43 PolarHBondContact O-ND2 2.83Å; F39-N43 VanDerWaalsContact O-ND2 3.17Å; V40-N43 PolarHBondContact O-N 2.99Å; H41-N43 VanDerWaalsContact C-N 3.34Å; H41-N43 PolarHBondContact O-N 2.93Å; N43-R45 VanDerWaalsContact C-N 3.35Å; N43-R45 PolarHBondContact O-N 3.44Å; N43-K46 WeakPolarHBondContact O-CB 3.29Å; N43-K46 PolarHBondContact O-N 2.67Å; N43-K46 PolarHBondContact OD1-NZ 3.35Å; N43-R113 HydrophobicContact CB-CB 3.93Å; N43-I115 HydrophobicContact CB-CD1 3.56Å; N43-I115 HydrophobicContact CB-CG1 3.76Å
44M97.9Very high97.9Very high54 Ų5469.2 Ų69.227%0.26635%0.348SS..Hα-helixtrans-66.7-39178.7-173.1176.1-17900111V40 H41 K46 N47 I115 N236 L237 L238V40-M44 WeakPolarHBondContact O-CB 3.44Å; V40-M44 PolarHBondContact O-N 3.39Å; H41-M44 PolarHBondContact O-N 3.4Å; M44-K46 PolarHBondContact O-N 3.11Å; M44-N47 WeakPolarHBondContact O-CB 3.35Å; M44-N47 PolarHBondContact O-N 3.41Å; M44-N47 VanDerWaalsContact O-N 3.13Å; M44-I115 HydrophobicContact CB-CD1 3.97Å; M44-N236 WeakPolarHBondContact CE-OD1 3.19Å; M44-L237 HydrophobicContact SD-CB 4.19Å; M44-L238 HydrophobicContact CB-CD2 4.29Å; M44-L238 HydrophobicContact CE-CG 4.45Å; M44-L238 HydrophobicContact CG-CD1 4.26Å; M44-L238 HydrophobicContact CG-CD2 4.31Å; M44-L238 HydrophobicContact CG-CG 4.18Å; M44-L238 HydrophobicContact SD-CD2 4.48Å; M44-L238 HydrophobicContact SD-CG 4.1Å
45R98Very high97.8Very high139 Ų13969.2 Ų69.253%0.52535%0.35SS..Hα-helixtrans-65.4-21.2176.1-164.8-179.675.91770.5112.9H41 N43 N47 N48 L238H41-R45 VanDerWaalsContact O-CB 3.26Å; H41-R45 WeakPolarHBondContact O-CB 3.47Å; H41-R45 PolarHBondContact O-N 3.32Å; N43-R45 VanDerWaalsContact C-N 3.35Å; N43-R45 PolarHBondContact O-N 3.44Å; R45-N47 VanDerWaalsContact C-N 3.25Å; R45-N47 PolarHBondContact O-N 3.03Å; R45-N48 PolarHBondContact O-OD1 3.44Å; R45-L238 HydrophobicContact CB-CD2 4.03Å
46K98.1Very high97.7Very high60 Ų6070.6 Ų70.626%0.26135%0.353SS..Hα-helixtrans-70.7-24.8175.2-69.6166.7-170.6165.80112.1T42 N43 M44 N48 R49 R113T42-K46 WeakPolarHBondContact O-CG 3.32Å; N43-K46 WeakPolarHBondContact O-CB 3.29Å; N43-K46 PolarHBondContact O-N 2.67Å; N43-K46 PolarHBondContact OD1-NZ 3.35Å; M44-K46 PolarHBondContact O-N 3.11Å; K46-N48 VanDerWaalsContact C-N 3.27Å; K46-N48 PolarHBondContact O-N 2.82Å; K46-R49 WeakPolarHBondContact O-CB 3.34Å; K46-R49 WeakPolarHBondContact O-CG 3.19Å; K46-R49 PolarHBondContact O-N 3.48Å; K46-R113 HydrophobicContact CD-CG 3.8Å
47N97.8Very high97.6Very high57 Ų5774.9 Ų74.931%0.30538%0.375SS..THydrogen-bonded Turntrans-77.4-6.8-172.5-62.7-17.1000114.4M44 R45 H112 R113M44-N47 WeakPolarHBondContact O-CB 3.35Å; M44-N47 PolarHBondContact O-N 3.41Å; M44-N47 VanDerWaalsContact O-N 3.13Å; R45-N47 VanDerWaalsContact C-N 3.25Å; R45-N47 PolarHBondContact O-N 3.03Å; N47-H112 PolarHBondContact O-NE2 3.44Å; N47-H112 VanDerWaalsContact OD1-CA 3.27Å; N47-H112 WeakPolarHBondContact OD1-CA 3.39Å; N47-R113 PolarHBondContact ND2-O 3.06Å; N47-R113 PolarHBondContact OD1-N 3.19Å; N47-R113 PolarHBondContact OD1-O 2.85Å
48N96.4Very high97.5Very high114 Ų11476.8 Ų76.861%0.6139%0.391SS*.THydrogen-bonded Turntrans-99.96.7173.8722.3000113R45 K46R45-N48 PolarHBondContact O-OD1 3.44Å; K46-N48 VanDerWaalsContact C-N 3.27Å; K46-N48 PolarHBondContact O-N 2.82Å
49R96.6Very high97.4Very high105 Ų10573.7 Ų73.740%0.39638%0.378SS..PPolyproline II helixtrans-81.5132.8-177.8-66.5177.465.9-172.26.4109.9K46K46-R49 WeakPolarHBondContact O-CB 3.34Å; K46-R49 WeakPolarHBondContact O-CG 3.19Å; K46-R49 PolarHBondContact O-N 3.48Å
50Q96.8Very high97.2Very high170 Ų17072 Ų7279%0.79437%0.372SS*.PPolyproline II helixtrans-80.2135.9168.6-69.1173-18.200110
51P97.6Very high97.1Very high76 Ų7679.3 Ų79.349%0.49441%0.406SS..PPolyproline II helixtrans-57.4147.5171.5-24.935.2000112W111P51-W111 HydrophobicContact CB-CZ2 4.16Å; P51-W111 HydrophobicContact CG-CG 4.42Å
52Y97.5Very high96.9Very high123 Ų12381.1 Ų81.148%0.48242%0.418SS..  trans-139.5140.8168.762.4-91.9000108.8T105 R109 W111Y52-T105 HydrophobicContact CE2-CG2 4.25Å; Y52-R109 PolarHBondContact OH-NH1 2.81Å; Y52-W111 AromaticContact CD1-CH2 3.48Å; Y52-W111 HydrophobicContact CD1-CH2 3.48Å; Y52-W111 VanDerWaalsContact CD1-CH2 3.48Å; Y52-W111 HydrophobicContact CD1-CZ2 4.48Å; Y52-W111 AromaticContact CD1-CZ3 3.86Å; Y52-W111 HydrophobicContact CD1-CZ3 3.86Å; Y52-W111 AromaticContact CE1-CH2 3.35Å; Y52-W111 HydrophobicContact CE1-CH2 3.35Å; Y52-W111 AromaticContact CE1-CZ3 3.51Å; Y52-W111 HydrophobicContact CE1-CZ3 3.51Å; Y52-W111 HydrophobicContact CE2-CH2 4.42Å; Y52-W111 HydrophobicContact CG-CH2 4.08Å; Y52-W111 AromaticContact CZ-CH2 3.85Å
53A98Very high96.7Very high48 Ų4882.8 Ų82.840%0.39743%0.431SS..  trans-143.5158.8-178.600000109.9T105 T107A53-T105 VanDerWaalsContact CA-O 3.29Å; A53-T105 WeakPolarHBondContact CA-O 3.2Å; A53-T105 WeakPolarHBondContact CA-OG1 3.48Å; A53-T105 WeakPolarHBondContact CB-O 3.36Å; A53-T107 HydrophobicContact CB-CG2 3.64Å
54V97.4Very high96.6Very high53 Ų5382.6 Ų82.632%0.32143%0.432SS..  trans-90.3147169.2177.10000106.8E56 A58 M101 T105V54-E56 PolarHBondContact O-N 3.19Å; V54-A58 HydrophobicContact CG1-CB 4.04Å; V54-M101 HydrophobicContact CG2-CE 3.9Å; V54-M101 HydrophobicContact CG2-SD 3.95Å; V54-T105 PolarHBondContact N-O 3.37Å; V54-T105 PolarHBondContact N-OG1 3.15Å
55S96.9Very high96.5Very high77 Ų7785.5 Ų85.554%0.53845%0.445SS..  trans-56.3138.3175.8175.60000110.7L57 A58S55-L57 PolarHBondContact O-N 3.19Å; S55-L57 PolarHBondContact OG-N 3.42Å; S55-A58 WeakPolarHBondContact O-CB 3.28Å; S55-A58 PolarHBondContact O-N 2.89Å
56E95.7Very high96.4Very high118 Ų11881.1 Ų81.155%0.55144%0.436SS*.THydrogen-bonded Turntrans-69.4-27-179.7-55-161.5135.100112.3V54 A58 H60 K106V54-E56 PolarHBondContact O-N 3.19Å; E56-A58 VanDerWaalsContact C-N 3.33Å; E56-H60 PolarHBondContact O-CD2 3.47Å; E56-K106 IonicContact OE1-NZ 3.72Å; E56-K106 PolarHBondContact OE1-NZ 3.34Å
57L96.6Very high96.3Very high105 Ų10582.9 Ų82.955%0.5544%0.441SS..THydrogen-bonded Turntrans-83.2-9.3177.6-58.7178.1000113S55 G59 H60 Q61S55-L57 PolarHBondContact O-N 3.19Å; S55-L57 PolarHBondContact OG-N 3.42Å; L57-G59 PolarHBondContact O-N 3.35Å; L57-H60 PolarHBondContact O-N 2.8Å; L57-Q61 HydrophobicContact CB-CG 4.12Å
58A96.4Very high96.1Very high39 Ų3981.7 Ų81.732%0.32244%0.442SS..THydrogen-bonded Turntrans-63.9122-17700000111.2V54 S55 E56 H60 R100V54-A58 HydrophobicContact CG1-CB 4.04Å; S55-A58 WeakPolarHBondContact O-CB 3.28Å; S55-A58 PolarHBondContact O-N 2.89Å; E56-A58 VanDerWaalsContact C-N 3.33Å; A58-H60 PolarHBondContact O-N 3.35Å; A58-R100 WeakPolarHBondContact O-CB 3.49Å
59G94.9Very high95.9Very high17 Ų1781.7 Ų81.718%0.17545%0.446CS..THydrogen-bonded Turntrans765.7-176.700000114.3L57 F92L57-G59 PolarHBondContact O-N 3.35Å; G59-F92 VanDerWaalsContact O-CD1 3.25Å; G59-F92 WeakPolarHBondContact O-CD1 3.35Å
60H95.3Very high95.7Very high79 Ų7980.7 Ų80.737%0.36647%0.469SS..THydrogen-bonded Turntrans-110.8-10.2178.2-78.6-65000114.5E56 L57 A58 T62 R100E56-H60 PolarHBondContact O-CD2 3.47Å; L57-H60 PolarHBondContact O-N 2.8Å; A58-H60 PolarHBondContact O-N 3.35Å; H60-T62 VanDerWaalsContact C-N 3.25Å; H60-T62 PolarHBondContact O-N 2.82Å; H60-R100 WeakPolarHBondContact CE1-CD 3.31Å; H60-R100 PolarHBondContact CE1-NH1 2.82Å; H60-R100 WeakPolarHBondContact NE2-CD 3.2Å; H60-R100 PolarHBondContact NE2-NH1 2.87Å
61Q95.3Very high95.4Very high154 Ų15479.6 Ų79.672%0.7246%0.458SS*.SBendtrans-77.9-6.2-177.7-68.5165.2-26.500113.9L57L57-Q61 HydrophobicContact CB-CG 4.12Å
62T94.3Very high95.2Very high46 Ų4681.5 Ų81.528%0.28248%0.48SS..SBendtrans-96.2126.4-177.9-51.90000110.7H60 A64 V79 F92H60-T62 VanDerWaalsContact C-N 3.25Å; H60-T62 PolarHBondContact O-N 2.82Å; T62-A64 PolarHBondContact O-N 2.69Å; T62-V79 HydrophobicContact CG2-CB 4.28Å; T62-V79 HydrophobicContact CG2-CG1 3.88Å; T62-V79 HydrophobicContact CG2-CG2 3.51Å; T62-F92 VanDerWaalsContact O-CE1 3.28Å; T62-F92 WeakPolarHBondContact O-CE1 2.93Å; T62-F92 WeakPolarHBondContact O-CZ 3.26Å
63S95.7Very high95.1Very high85 Ų8578.4 Ų78.459%0.59447%0.474SS*.  trans-72.6115.7170.1-176.90000110.2R80S63-R80 PolarHBondContact O-N 2.73Å
64A96.2Very high94.9Very high15 Ų1579.3 Ų79.312%0.12448%0.481CS..EExtended strand (participates in β ladder)trans-149.2143.1-177.500000111T62 P77 R78 A91 F92T62-A64 PolarHBondContact O-N 2.69Å; A64-P77 HydrophobicContact CB-CB 4.18Å; A64-R78 CarbonylContact C-O 3.57Å; A64-R78 WeakPolarHBondContact CA-O 3.33Å; A64-R78 WeakPolarHBondContact CB-O 3.42Å; A64-A91 HydrophobicContact CB-CB 3.62Å; A64-F92 HydrophobicContact CB-CD2 4.32Å; A64-F92 HydrophobicContact CB-CE2 3.99Å; A64-F92 HydrophobicContact CB-CZ 4.41Å; A64-F92 WeakPolarHBondContact O-CE2 3.48Å
65E95.4Very high94.8Very high116 Ų11685.3 Ų85.354%0.54250%0.498SS..EExtended strand (participates in β ladder)trans-139.8148.4-179-169.1170.1-175.300109.8R78 R80E65-R78 PolarHBondContact N-O 3.29Å; E65-R78 PolarHBondContact O-N 3.02Å; E65-R80 IonicContact OE2-NH1 3.31Å; E65-R80 PolarHBondContact OE2-NH1 3.07Å
66S96.3Very high94.8Very high47 Ų4783.9 Ų83.933%0.32948%0.484SS..EExtended strand (participates in β ladder)trans-73.5137.5177.6-1720000109.4G68 R75S66-G68 PolarHBondContact O-N 3.26Å; S66-G68 PolarHBondContact OG-N 2.88Å; S66-R75 VanDerWaalsContact OG-C 3.29Å; S66-R75 PolarHBondContact OG-O 3.1Å
67W94.6Very high94.9Very high96 Ų9680 Ų8036%0.36447%0.469SS..  trans-78.73.3175.9-62-13.9000113.5V73 R78W67-V73 HydrophobicContact CE3-CG2 3.84Å; W67-V73 HydrophobicContact CZ3-CG2 4.31Å; W67-R78 HydrophobicContact CZ2-CB 4.2Å
68G93.4Very high94.9Very high33 Ų3377.2 Ų77.234%0.3445%0.451SS..  trans70.6-157.5-178.200000113S66S66-G68 PolarHBondContact O-N 3.26Å; S66-G68 PolarHBondContact OG-N 2.88Å
69T92.9Very high94.9Very high113 Ų11376.3 Ų76.369%0.69344%0.441SS*.SBendtrans-88.3171.9173.847.70000111.1R71 R75T69-R71 VanDerWaalsContact C-N 3.35Å; T69-R75 HydrophobicContact CG2-CG 4.49Å
70G93.1Very high94.9Very high85 Ų8583 Ų8388%0.87646%0.461SS*.SBendtrans86.81.3175.600000115
71R89Confident94.9Very high147 Ų14782.7 Ų82.756%0.55548%0.479SS*.SBendtrans-114.2143.6166-58.3-173.7-171.6-158.2-4.5108.3T69 V73T69-R71 VanDerWaalsContact C-N 3.35Å; R71-V73 HydrophobicContact CB-CG2 3.81Å; R71-V73 PolarHBondContact O-N 3.49Å
72A94.7Very high94.8Very high116 Ų11678 Ų7896%0.95947%0.473SS*.SBendtrans-71.546.1179.700000113.1
73V94.3Very high94.8Very high58 Ų5880.1 Ų80.135%0.35250%0.504SS..SBendtrans-142151.5-177.1-64.30000110.7W67 R71W67-V73 HydrophobicContact CE3-CG2 3.84Å; W67-V73 HydrophobicContact CZ3-CG2 4.31Å; R71-V73 HydrophobicContact CB-CG2 3.81Å; R71-V73 PolarHBondContact O-N 3.49Å
74A94.5Very high94.8Very high66 Ų6680.4 Ų80.455%0.54550%0.502SS..  trans-62.5147.7175.800000112.4I76A74-I76 HydrophobicContact CB-CG1 4.41Å; A74-I76 PolarHBondContact O-N 2.81Å
75R96Very high94.7Very high179 Ų17988.2 Ų88.268%0.67554%0.535SS*.SBendtrans-71.231.3-175.5-64.1-174.8-76-178.2-4.7115.4S66 T69S66-R75 VanDerWaalsContact OG-C 3.29Å; S66-R75 PolarHBondContact OG-O 3.1Å; T69-R75 HydrophobicContact CG2-CG 4.49Å
76I96.5Very high94.7Very high48 Ų4886.1 Ų86.125%0.24652%0.523CS..SBendtrans-87.9143.7-179.3-61.8-41000110A74 R78 M95 C96A74-I76 HydrophobicContact CB-CG1 4.41Å; A74-I76 PolarHBondContact O-N 2.81Å; I76-R78 PolarHBondContact O-N 2.9Å; I76-M95 HydrophobicContact CB-CE 4.44Å; I76-M95 HydrophobicContact CD1-CE 3.2Å; I76-M95 HydrophobicContact CG1-CE 3.56Å; I76-M95 HydrophobicContact CG2-CE 4.02Å; I76-C96 VanDerWaalsContact CG2-SG 3.53Å
77P97.3Very high94.6Very high37 Ų3785.5 Ų85.524%0.2452%0.518CS..EExtended strand (participates in β ladder)trans-54.4130.9172.6-26.535.6000112.2A64 G90 A91 F92A64-P77 HydrophobicContact CB-CB 4.18Å; P77-G90 CarbonylContact O-C 3.58Å; P77-G90 WeakPolarHBondContact O-CA 3.47Å; P77-A91 PolarHBondContact O-N 3.05Å; P77-F92 HydrophobicContact CB-CD2 3.84Å; P77-F92 HydrophobicContact CG-CD2 4.17Å
78R96.8Very high94.6Very high46 Ų4681.7 Ų81.717%0.17451%0.509CS..EExtended strand (participates in β ladder)trans-119.7143.4-177.9-72.3170.5-174-81.2-4.5111.1A64 E65 W67 I76 R80 G88 Q89A64-R78 CarbonylContact C-O 3.57Å; A64-R78 WeakPolarHBondContact CA-O 3.33Å; A64-R78 WeakPolarHBondContact CB-O 3.42Å; E65-R78 PolarHBondContact N-O 3.29Å; E65-R78 PolarHBondContact O-N 3.02Å; W67-R78 HydrophobicContact CZ2-CB 4.2Å; I76-R78 PolarHBondContact O-N 2.9Å; R78-R80 PolarHBondContact O-N 3.27Å; R78-G88 VanDerWaalsContact CD-O 3.32Å; R78-G88 WeakPolarHBondContact CD-O 3.23Å; R78-G88 WeakPolarHBondContact CG-O 3.31Å; R78-G88 PolarHBondContact NH1-O 2.91Å; R78-Q89 VanDerWaalsContact CA-O 3.25Å; R78-Q89 WeakPolarHBondContact CA-O 3.35Å
79V97.1Very high94.7Very high19 Ų1983.4 Ų83.412%0.11551%0.508CS..EExtended strand (participates in β ladder)trans-62.3129.8179.4-173.70000109.9T62 R86 G88 Q89 A91T62-V79 HydrophobicContact CG2-CB 4.28Å; T62-V79 HydrophobicContact CG2-CG1 3.88Å; T62-V79 HydrophobicContact CG2-CG2 3.51Å; V79-R86 HydrophobicContact CG1-CG 4.44Å; V79-R86 HydrophobicContact CG2-CG 4.21Å; V79-G88 PolarHBondContact O-N 3.39Å; V79-Q89 PolarHBondContact N-O 3.36Å; V79-A91 HydrophobicContact CG2-CB 4.06Å
80R94.4Very high94.8Very high158 Ų15878.8 Ų78.860%0.59648%0.483SS*.  trans-74.9169.7179.8-61.517969.7161.7-5.4111.4S63 E65 R78S63-R80 PolarHBondContact O-N 2.73Å; E65-R80 IonicContact OE2-NH1 3.31Å; E65-R80 PolarHBondContact OE2-NH1 3.07Å; R78-R80 PolarHBondContact O-N 3.27Å
81G94.4Very high95Very high72 Ų7274.9 Ų74.974%0.74244%0.442SS*.  trans87-167.2-179.900000113.9S87G81-S87 WeakPolarHBondContact O-CB 3.42Å
82G94.8Very high95.2Very high57 Ų5770.6 Ų70.659%0.58843%0.428SS*.SBendtrans-152.6-179.6-177.600000112T84G82-T84 VanDerWaalsContact C-N 3.31Å; G82-T84 PolarHBondContact O-N 3.19Å
83G93.7Very high95.2Very high90 Ų9065.8 Ų65.893%0.92839%0.389SS*.SBendtrans78.72.4173.100000116
84T95.6Very high95.3Very high90 Ų9067.9 Ų67.955%0.55240%0.399SS*.SBendtrans-131.9157.6174.872.80000111.3G82 R86 S87G82-T84 VanDerWaalsContact C-N 3.31Å; G82-T84 PolarHBondContact O-N 3.19Å; T84-R86 PolarHBondContact O-N 3.08Å; T84-R86 PolarHBondContact OG1-N 3.07Å; T84-S87 PolarHBondContact O-N 3.46Å; T84-S87 PolarHBondContact O-OG 2.84Å; T84-S87 PolarHBondContact OG1-N 3.23Å
85H94.7Very high95.4Very high180 Ų18070.4 Ų70.483%0.83340%0.401SS*.THydrogen-bonded Turntrans-61.3-18.6174.5-67.1-66.1000113.5Q89H85-Q89 VanDerWaalsContact O-CD 3.29Å; H85-Q89 PolarHBondContact O-NE2 3Å
86R94.7Very high95.5Very high72 Ų7262.9 Ų62.927%0.27238%0.376SS..THydrogen-bonded Turntrans-84.1-26.3-177.5-171.958.2179.8142.87113.2V79 T84 Q89 G90V79-R86 HydrophobicContact CG1-CG 4.44Å; V79-R86 HydrophobicContact CG2-CG 4.21Å; T84-R86 PolarHBondContact O-N 3.08Å; T84-R86 PolarHBondContact OG1-N 3.07Å; R86-Q89 VanDerWaalsContact NH1-CB 3.33Å; R86-Q89 WeakPolarHBondContact O-CB 3.46Å; R86-Q89 PolarHBondContact O-N 3.14Å; R86-G90 PolarHBondContact NH1-O 3.35Å; R86-G90 VanDerWaalsContact NH1-O 3.08Å; R86-G90 PolarHBondContact NH2-O 3.12Å; R86-G90 VanDerWaalsContact NH2-O 3.14Å
87S94.9Very high95.4Very high33 Ų3370.8 Ų70.823%0.23140%0.402CS..THydrogen-bonded Turntrans-60.6138.4178.645.40000111.6G81 T84 Q89G81-S87 WeakPolarHBondContact O-CB 3.42Å; T84-S87 PolarHBondContact O-N 3.46Å; T84-S87 PolarHBondContact O-OG 2.84Å; T84-S87 PolarHBondContact OG1-N 3.23Å; S87-Q89 PolarHBondContact O-N 3.04Å
88G92.9Very high95.2Very high17 Ų1772 Ų7218%0.17542%0.421CS..THydrogen-bonded Turntrans76-4.9-178.700000115.7R78 V79R78-G88 VanDerWaalsContact CD-O 3.32Å; R78-G88 WeakPolarHBondContact CD-O 3.23Å; R78-G88 WeakPolarHBondContact CG-O 3.31Å; R78-G88 PolarHBondContact NH1-O 2.91Å; V79-G88 PolarHBondContact O-N 3.39Å
89Q96.4Very high95.1Very high68 Ų6870.8 Ų70.832%0.31842%0.423SS..  trans-80.9154.1174.8-62.9-169.41.600112.5R78 V79 H85 R86 S87R78-Q89 VanDerWaalsContact CA-O 3.25Å; R78-Q89 WeakPolarHBondContact CA-O 3.35Å; V79-Q89 PolarHBondContact N-O 3.36Å; H85-Q89 VanDerWaalsContact O-CD 3.29Å; H85-Q89 PolarHBondContact O-NE2 3Å; R86-Q89 VanDerWaalsContact NH1-CB 3.33Å; R86-Q89 WeakPolarHBondContact O-CB 3.46Å; R86-Q89 PolarHBondContact O-N 3.14Å; S87-Q89 PolarHBondContact O-N 3.04Å
90G95.7Very high95.1Very high17 Ų1775.6 Ų75.618%0.17544%0.439CS..BIsolated β-bridgetrans-63.5142.7176.900000113.9P77 R86P77-G90 CarbonylContact O-C 3.58Å; P77-G90 WeakPolarHBondContact O-CA 3.47Å; R86-G90 PolarHBondContact NH1-O 3.35Å; R86-G90 VanDerWaalsContact NH1-O 3.08Å; R86-G90 PolarHBondContact NH2-O 3.12Å; R86-G90 VanDerWaalsContact NH2-O 3.14Å
91A95.9Very high95.2Very high2 Ų272.8 Ų72.82%0.01743%0.434CS..  trans-139.8174.8177.800000111.1A64 P77 V79 G93A64-A91 HydrophobicContact CB-CB 3.62Å; P77-A91 PolarHBondContact O-N 3.05Å; V79-A91 HydrophobicContact CG2-CB 4.06Å; A91-G93 PolarHBondContact O-N 2.85Å
92F94.1Very high95.4Very high57 Ų5777.4 Ų77.425%0.2543%0.434CS..SBendtrans60.3-42.7-176.9-59.9-39.9000117.5G59 T62 A64 P77 R100G59-F92 VanDerWaalsContact O-CD1 3.25Å; G59-F92 WeakPolarHBondContact O-CD1 3.35Å; T62-F92 VanDerWaalsContact O-CE1 3.28Å; T62-F92 WeakPolarHBondContact O-CE1 2.93Å; T62-F92 WeakPolarHBondContact O-CZ 3.26Å; A64-F92 HydrophobicContact CB-CD2 4.32Å; A64-F92 HydrophobicContact CB-CE2 3.99Å; A64-F92 HydrophobicContact CB-CZ 4.41Å; A64-F92 WeakPolarHBondContact O-CE2 3.48Å; P77-F92 HydrophobicContact CB-CD2 3.84Å; P77-F92 HydrophobicContact CG-CD2 4.17Å; F92-R100 VanDerWaalsContact O-CG 3.32Å; F92-R100 WeakPolarHBondContact O-CG 3.38Å; F92-R100 PolarHBondContact O-N 3.11Å
93G94.5Very high95.5Very high15 Ų1577.9 Ų77.916%0.15543%0.433CS..SBendtrans-62.3146.9-17700000113.3A91 M95 C96A91-G93 PolarHBondContact O-N 2.85Å; G93-M95 PolarHBondContact O-N 2.93Å; G93-C96 WeakPolarHBondContact O-CB 3.08Å; G93-C96 PolarHBondContact O-N 2.91Å
94N97.2Very high95.6Very high103 Ų10375.9 Ų75.955%0.55140%0.403SS*.THydrogen-bonded Turntrans-68.2-21.8174.562.4-29.2000113.9C96 R100 F102N94-C96 VanDerWaalsContact C-N 3.34Å; N94-R100 WeakPolarHBondContact CA-O 3.25Å; N94-R100 PolarHBondContact N-O 3.32Å; N94-F102 HydrophobicContact CB-CB 4.04Å; N94-F102 WeakPolarHBondContact ND2-CB 3.42Å
95M96.8Very high95.7Very high118 Ų11873 Ų7358%0.58139%0.385SS*.THydrogen-bonded Turntrans-83.5-8.7170.468.8-67-176.200113.2I76 G93I76-M95 HydrophobicContact CB-CE 4.44Å; I76-M95 HydrophobicContact CD1-CE 3.2Å; I76-M95 HydrophobicContact CG1-CE 3.56Å; I76-M95 HydrophobicContact CG2-CE 4.02Å; G93-M95 PolarHBondContact O-N 2.93Å
96C96.3Very high95.7Very high22 Ų2267.4 Ų67.415%0.14936%0.359CS..SBendtrans-89.2136.1-178-58.50000111.4I76 G93 N94 G98 G99I76-C96 VanDerWaalsContact CG2-SG 3.53Å; G93-C96 WeakPolarHBondContact O-CB 3.08Å; G93-C96 PolarHBondContact O-N 2.91Å; N94-C96 VanDerWaalsContact C-N 3.34Å; C96-G98 PolarHBondContact O-N 2.99Å; C96-G99 PolarHBondContact O-N 2.82Å
97R95.3Very high95.8Very high214 Ų21468 Ų6881%0.80837%0.371SS*.THydrogen-bonded Turntrans-60.3125.6169.8-178.7179.2175-123.81.3109.9G99R97-G99 PolarHBondContact O-N 3.25Å
98G93.1Very high95.9Very high61 Ų6175 Ų7563%0.62939%0.392SS*.THydrogen-bonded Turntrans74.15.8-176.700000114.8C96C96-G98 PolarHBondContact O-N 2.99Å
99G95.2Very high96.1Very high22 Ų2279.6 Ų79.623%0.22740%0.404CS..SBendtrans-79.1178.7170.600000112.9C96 R97C96-G99 PolarHBondContact O-N 2.82Å; R97-G99 PolarHBondContact O-N 3.25Å
100R96.7Very high96.2Very high120 Ų12085.2 Ų85.245%0.45342%0.422SS..PPolyproline II helixtrans-80.7149177.384.7-165.4171.4154.3-4.1110.5A58 H60 F92 N94A58-R100 WeakPolarHBondContact O-CB 3.49Å; H60-R100 WeakPolarHBondContact CE1-CD 3.31Å; H60-R100 PolarHBondContact CE1-NH1 2.82Å; H60-R100 WeakPolarHBondContact NE2-CD 3.2Å; H60-R100 PolarHBondContact NE2-NH1 2.87Å; F92-R100 VanDerWaalsContact O-CG 3.32Å; F92-R100 WeakPolarHBondContact O-CG 3.38Å; F92-R100 PolarHBondContact O-N 3.11Å; N94-R100 WeakPolarHBondContact CA-O 3.25Å; N94-R100 PolarHBondContact N-O 3.32Å
101M97Very high96.3Very high98 Ų9885 Ų8548%0.48342%0.416SS..PPolyproline II helixtrans-75.3155.9172.566.1177.357.300112.6V54 P104V54-M101 HydrophobicContact CG2-CE 3.9Å; V54-M101 HydrophobicContact CG2-SD 3.95Å; M101-P104 HydrophobicContact CG-CB 4.27Å; M101-P104 HydrophobicContact CG-CG 4.17Å; M101-P104 WeakPolarHBondContact O-CD 3.42Å; M101-P104 WeakPolarHBondContact O-CG 3.3Å
102F97.1Very high96.4Very high169 Ų16990 Ų9074%0.74144%0.439SS*.SBendtrans-71.4140.3168.5173.8-104.6000110.8N94N94-F102 HydrophobicContact CB-CB 4.04Å; N94-F102 WeakPolarHBondContact ND2-CB 3.42Å
103A96.7Very high96.6Very high68 Ų6890.3 Ų90.356%0.56244%0.439SS*.SBendtrans45.862.9-175.800000114T105A103-T105 PolarHBondContact O-N 3.39Å
104P96.6Very high96.7Very high48 Ų48101.1 Ų101.131%0.31248%0.475SS..PPolyproline II helixtrans-52.4137.1179.4-24.633.6000111.7M101 K106M101-P104 HydrophobicContact CG-CB 4.27Å; M101-P104 HydrophobicContact CG-CG 4.17Å; M101-P104 WeakPolarHBondContact O-CD 3.42Å; M101-P104 WeakPolarHBondContact O-CG 3.3Å; P104-K106 PolarHBondContact O-N 3Å
105T97.5Very high96.7Very high28 Ų2896.5 Ų96.517%0.17245%0.45CS..PPolyproline II helixtrans-63.4126.8179.949.90000110.4Y52 A53 V54 A103Y52-T105 HydrophobicContact CE2-CG2 4.25Å; A53-T105 VanDerWaalsContact CA-O 3.29Å; A53-T105 WeakPolarHBondContact CA-O 3.2Å; A53-T105 WeakPolarHBondContact CA-OG1 3.48Å; A53-T105 WeakPolarHBondContact CB-O 3.36Å; V54-T105 PolarHBondContact N-O 3.37Å; V54-T105 PolarHBondContact N-OG1 3.15Å; A103-T105 PolarHBondContact O-N 3.39Å
106K96.2Very high96.8Very high63 Ų6395.5 Ų95.527%0.27445%0.447SS..PPolyproline II helixtrans-102.9150.8-179.1-61.8-58.8-160.4169.20112.4E56 P104 W108 R109E56-K106 IonicContact OE1-NZ 3.72Å; E56-K106 PolarHBondContact OE1-NZ 3.34Å; P104-K106 PolarHBondContact O-N 3Å; K106-W108 VanDerWaalsContact C-N 3.33Å; K106-W108 HydrophobicContact CB-CD2 3.68Å; K106-W108 HydrophobicContact CB-CE3 3.9Å; K106-W108 HydrophobicContact CB-CG 4.34Å; K106-W108 HydrophobicContact CB-CH2 3.98Å; K106-W108 HydrophobicContact CB-CZ2 3.74Å; K106-W108 HydrophobicContact CB-CZ3 4.03Å; K106-W108 HydrophobicContact CD-CH2 3.42Å; K106-W108 VanDerWaalsContact CD-CH2 3.42Å; K106-W108 HydrophobicContact CD-CZ2 3.77Å; K106-W108 HydrophobicContact CD-CZ3 3.86Å; K106-W108 HydrophobicContact CG-CD2 4.35Å; K106-W108 HydrophobicContact CG-CE3 4.49Å; K106-W108 HydrophobicContact CG-CH2 3.65Å; K106-W108 HydrophobicContact CG-CZ2 3.43Å; K106-W108 VanDerWaalsContact CG-CZ2 3.43Å; K106-W108 HydrophobicContact CG-CZ3 4.17Å; K106-W108 PolarHBondContact O-N 3.3Å; K106-R109 PolarHBondContact O-N 3.44Å
107T96.6Very high96.8Very high86 Ų8698.1 Ų98.153%0.52846%0.462SS..THydrogen-bonded Turntrans-64-37.4179.550.10000111.9A53 R109 W111A53-T107 HydrophobicContact CB-CG2 3.64Å; T107-R109 PolarHBondContact O-N 2.9Å; T107-R109 VanDerWaalsContact O-N 3.16Å; T107-W111 PolarHBondContact O-NE1 2.97Å
108W96.6Very high96.8Very high180 Ų18092.2 Ų92.268%0.68245%0.452SS*.THydrogen-bonded Turntrans-77.611.4-178.863.987000115.4K106 R110K106-W108 VanDerWaalsContact C-N 3.33Å; K106-W108 HydrophobicContact CB-CD2 3.68Å; K106-W108 HydrophobicContact CB-CE3 3.9Å; K106-W108 HydrophobicContact CB-CG 4.34Å; K106-W108 HydrophobicContact CB-CH2 3.98Å; K106-W108 HydrophobicContact CB-CZ2 3.74Å; K106-W108 HydrophobicContact CB-CZ3 4.03Å; K106-W108 HydrophobicContact CD-CH2 3.42Å; K106-W108 VanDerWaalsContact CD-CH2 3.42Å; K106-W108 HydrophobicContact CD-CZ2 3.77Å; K106-W108 HydrophobicContact CD-CZ3 3.86Å; K106-W108 HydrophobicContact CG-CD2 4.35Å; K106-W108 HydrophobicContact CG-CE3 4.49Å; K106-W108 HydrophobicContact CG-CH2 3.65Å; K106-W108 HydrophobicContact CG-CZ2 3.43Å; K106-W108 VanDerWaalsContact CG-CZ2 3.43Å; K106-W108 HydrophobicContact CG-CZ3 4.17Å; K106-W108 PolarHBondContact O-N 3.3Å; W108-R110 PolarHBondContact O-N 2.92Å
109R97.6Very high97Very high113 Ų11392.8 Ų92.843%0.42644%0.438SS..SBendtrans-51.5139.5167.9173.6-177.7-74.7-176.5-5.8109.1Y52 K106 T107 W111Y52-R109 PolarHBondContact OH-NH1 2.81Å; K106-R109 PolarHBondContact O-N 3.44Å; T107-R109 PolarHBondContact O-N 2.9Å; T107-R109 VanDerWaalsContact O-N 3.16Å; R109-W111 VanDerWaalsContact C-N 3.34Å; R109-W111 HydrophobicContact CB-CZ2 3.96Å; R109-W111 HydrophobicContact CG-CD2 4.47Å; R109-W111 HydrophobicContact CG-CZ2 4.33Å; R109-W111 PolarHBondContact O-N 2.89Å; R109-W111 PolarHBondContact O-NE1 3.09Å; R109-W111 VanDerWaalsContact O-NE1 3.17Å
110R97.6Very high97.1Very high185 Ų18595.6 Ų95.670%0.69844%0.444SS*.  trans-68.688.5176-160.1179.763.8166-3110.7W108 R113W108-R110 PolarHBondContact O-N 2.92Å; R110-R113 VanDerWaalsContact CG-NH1 3.31Å; R110-R113 VanDerWaalsContact NE-CZ 3.26Å; R110-R113 VanDerWaalsContact NE-NH1 3.13Å; R110-R113 PolarHBondContact O-NH1 3.42Å
111W97.4Very high97.1Very high12 Ų1292.8 Ų92.85%0.04543%0.434CS..  trans-75.9-47.5-179.5-60101000112.3P51 Y52 T107 R109P51-W111 HydrophobicContact CB-CZ2 4.16Å; P51-W111 HydrophobicContact CG-CG 4.42Å; Y52-W111 AromaticContact CD1-CH2 3.48Å; Y52-W111 HydrophobicContact CD1-CH2 3.48Å; Y52-W111 VanDerWaalsContact CD1-CH2 3.48Å; Y52-W111 HydrophobicContact CD1-CZ2 4.48Å; Y52-W111 AromaticContact CD1-CZ3 3.86Å; Y52-W111 HydrophobicContact CD1-CZ3 3.86Å; Y52-W111 AromaticContact CE1-CH2 3.35Å; Y52-W111 HydrophobicContact CE1-CH2 3.35Å; Y52-W111 AromaticContact CE1-CZ3 3.51Å; Y52-W111 HydrophobicContact CE1-CZ3 3.51Å; Y52-W111 HydrophobicContact CE2-CH2 4.42Å; Y52-W111 HydrophobicContact CG-CH2 4.08Å; Y52-W111 AromaticContact CZ-CH2 3.85Å; T107-W111 PolarHBondContact O-NE1 2.97Å; R109-W111 VanDerWaalsContact C-N 3.34Å; R109-W111 HydrophobicContact CB-CZ2 3.96Å; R109-W111 HydrophobicContact CG-CD2 4.47Å; R109-W111 HydrophobicContact CG-CZ2 4.33Å; R109-W111 PolarHBondContact O-N 2.89Å; R109-W111 PolarHBondContact O-NE1 3.09Å; R109-W111 VanDerWaalsContact O-NE1 3.17Å
112H98Very high97.2Very high108 Ų10890 Ų9050%0.542%0.418SS..  trans-82.2153.4-174.8-61.288.8000111.9N47N47-H112 PolarHBondContact O-NE2 3.44Å; N47-H112 VanDerWaalsContact OD1-CA 3.27Å; N47-H112 WeakPolarHBondContact OD1-CA 3.39Å
113R97.8Very high97.2Very high63 Ų6381.9 Ų81.924%0.23838%0.383CS..  trans-130.4120.3173.4-68.3-66.4-179.8-83.40.1109.1N43 K46 N47 R110N43-R113 HydrophobicContact CB-CB 3.93Å; K46-R113 HydrophobicContact CD-CG 3.8Å; N47-R113 PolarHBondContact ND2-O 3.06Å; N47-R113 PolarHBondContact OD1-N 3.19Å; N47-R113 PolarHBondContact OD1-O 2.85Å; R110-R113 VanDerWaalsContact CG-NH1 3.31Å; R110-R113 VanDerWaalsContact NE-CZ 3.26Å; R110-R113 VanDerWaalsContact NE-NH1 3.13Å; R110-R113 PolarHBondContact O-NH1 3.42Å
114R97.8Very high97.3Very high242 Ų24279.8 Ų79.891%0.91336%0.361SS*.  trans-70.6141.3167.4-172.2176.1179-178.4-0.1108.5
115I97.9Very high97.3Very high7 Ų777.5 Ų77.54%0.03635%0.347CS..  trans-134.9139.7177.2-52.1163.8000106.5V40 N43 M44 Q119 K120V40-I115 HydrophobicContact CG1-CD1 4.19Å; V40-I115 HydrophobicContact CG1-CG2 4.31Å; V40-I115 HydrophobicContact CG2-CG2 4.09Å; V40-I115 WeakPolarHBondContact O-CD1 3.31Å; N43-I115 HydrophobicContact CB-CD1 3.56Å; N43-I115 HydrophobicContact CB-CG1 3.76Å; M44-I115 HydrophobicContact CB-CD1 3.97Å; I115-Q119 HydrophobicContact CG2-CB 4.25Å; I115-K120 HydrophobicContact CB-CG 4.15Å; I115-K120 HydrophobicContact CG2-CG 3.86Å; I115-K120 VanDerWaalsContact O-CE 3.29Å; I115-K120 WeakPolarHBondContact O-CE 3.37Å
116N97.6Very high97.4Very high96 Ų9676.1 Ų76.151%0.51334%0.338SS..  trans-64.2138.3-178.7-64.3-9.2000110.7Q119 K120N116-Q119 HydrophobicContact CB-CB 4.37Å; N116-Q119 HydrophobicContact CB-CG 4.15Å; N116-Q119 WeakPolarHBondContact O-CB 3.36Å; N116-Q119 PolarHBondContact O-N 3.35Å; N116-Q119 VanDerWaalsContact O-N 3.16Å; N116-K120 PolarHBondContact O-N 3.23Å
117T96.2Very high97.5Very high77 Ų7773.2 Ų73.247%0.47233%0.326SS..Hα-helixtrans-58.2-43.9-178.9-56.70000112.7Q119 K120 R121T117-Q119 VanDerWaalsContact C-N 3.33Å; T117-Q119 PolarHBondContact O-N 2.99Å; T117-K120 PolarHBondContact O-N 3.06Å; T117-R121 HydrophobicContact CG2-CG 4.47Å; T117-R121 WeakPolarHBondContact O-CG 3.44Å; T117-R121 PolarHBondContact O-N 3.16Å
118P96Very high97.5Very high91 Ų9169.1 Ų69.159%0.59130%0.301SS*.Hα-helixtrans-60.7-38.4175.3-25.535.9000113.5R121 Y122P118-R121 PolarHBondContact O-N 3.19Å; P118-Y122 WeakPolarHBondContact O-CB 3.32Å; P118-Y122 PolarHBondContact O-N 3.05Å
119Q96.9Very high97.5Very high72 Ų7260.6 Ų60.634%0.33627%0.269SS..Hα-helixtrans-65.1-41.3176.5-70.3178.1-14.800111.8V40 I115 N116 T117 Y122 A123V40-Q119 HydrophobicContact CG2-CB 4.14Å; I115-Q119 HydrophobicContact CG2-CB 4.25Å; N116-Q119 HydrophobicContact CB-CB 4.37Å; N116-Q119 HydrophobicContact CB-CG 4.15Å; N116-Q119 WeakPolarHBondContact O-CB 3.36Å; N116-Q119 PolarHBondContact O-N 3.35Å; N116-Q119 VanDerWaalsContact O-N 3.16Å; T117-Q119 VanDerWaalsContact C-N 3.33Å; T117-Q119 PolarHBondContact O-N 2.99Å; Q119-Y122 PolarHBondContact O-N 2.66Å; Q119-A123 WeakPolarHBondContact O-CB 3.32Å; Q119-A123 PolarHBondContact O-N 2.76Å
120K97.5Very high97.4Very high81 Ų8155.2 Ų55.235%0.35225%0.249SC..Hα-helixtrans-61.1-46.9174.5-66.6179.3-171.6172.10111.4V40 I115 N116 T117 A123 I124V40-K120 HydrophobicContact CG1-CG 4.17Å; I115-K120 HydrophobicContact CB-CG 4.15Å; I115-K120 HydrophobicContact CG2-CG 3.86Å; I115-K120 VanDerWaalsContact O-CE 3.29Å; I115-K120 WeakPolarHBondContact O-CE 3.37Å; N116-K120 PolarHBondContact O-N 3.23Å; T117-K120 PolarHBondContact O-N 3.06Å; K120-A123 PolarHBondContact O-N 3.45Å; K120-I124 WeakPolarHBondContact O-CG1 3.38Å; K120-I124 PolarHBondContact O-N 3.39Å; K120-I124 VanDerWaalsContact O-N 3.14Å
121R97.1Very high97.4Very high61 Ų6146.6 Ų46.623%0.2322%0.217CC..Hα-helixtrans-62.2-43.6178.5-69.3179.1179173.7-4.1110.9T117 P118 A123 I124 C125 K275 Y277T117-R121 HydrophobicContact CG2-CG 4.47Å; T117-R121 WeakPolarHBondContact O-CG 3.44Å; T117-R121 PolarHBondContact O-N 3.16Å; P118-R121 PolarHBondContact O-N 3.19Å; R121-A123 PolarHBondContact O-N 3.43Å; R121-I124 PolarHBondContact O-N 3.14Å; R121-C125 PolarHBondContact O-N 3.34Å; R121-C125 PolarHBondContact O-SG 3.15Å; R121-C125 VanDerWaalsContact O-SG 3.37Å; R121-K275 PolarHBondContact NH1-O 3.29Å; R121-Y277 HydrophobicContact CB-CD2 4.29Å; R121-Y277 HydrophobicContact CB-CE2 3.49Å; R121-Y277 VanDerWaalsContact CB-CE2 3.49Å; R121-Y277 HydrophobicContact CG-CD2 4.44Å; R121-Y277 HydrophobicContact CG-CE2 4.11Å
122Y97.9Very high97.2Very high39 Ų3946.8 Ų46.815%0.15322%0.221CC..Hα-helixtrans-61.4-45.1176.7-174.7-163.1000112.3P31 R33 V36 P118 Q119 I124 C125 S126 P280P31-Y122 HydrophobicContact CG-CE2 3.98Å; P31-Y122 WeakPolarHBondContact O-CE2 3.42Å; R33-Y122 HydrophobicContact CB-CE1 4.31Å; R33-Y122 WeakPolarHBondContact CD-OH 3.43Å; R33-Y122 HydrophobicContact CG-CE1 4.32Å; R33-Y122 VanDerWaalsContact CG-OH 3.25Å; R33-Y122 WeakPolarHBondContact CG-OH 3.16Å; V36-Y122 HydrophobicContact CG1-CD1 4.03Å; V36-Y122 HydrophobicContact CG2-CD1 4.34Å; V36-Y122 HydrophobicContact CG2-CE1 4.25Å; P118-Y122 WeakPolarHBondContact O-CB 3.32Å; P118-Y122 PolarHBondContact O-N 3.05Å; Q119-Y122 PolarHBondContact O-N 2.66Å; Y122-I124 VanDerWaalsContact C-N 3.26Å; Y122-I124 PolarHBondContact O-N 3.21Å; Y122-C125 PolarHBondContact O-N 3.19Å; Y122-C125 VanDerWaalsContact O-N 3.15Å; Y122-S126 WeakPolarHBondContact CE2-OG 3.47Å; Y122-S126 PolarHBondContact O-N 3.07Å; Y122-S126 PolarHBondContact O-OG 3.49Å; Y122-P280 HydrophobicContact CD2-CB 3.89Å; Y122-P280 HydrophobicContact CD2-CG 3.45Å; Y122-P280 VanDerWaalsContact CD2-CG 3.45Å; Y122-P280 HydrophobicContact CE2-CB 3.77Å; Y122-P280 HydrophobicContact CE2-CG 3.48Å; Y122-P280 VanDerWaalsContact CE2-CG 3.48Å; Y122-P280 HydrophobicContact CG-CB 4.42Å; Y122-P280 HydrophobicContact CG-CG 4.33Å
123A98.3Very high97.1Very high0 Ų044.8 Ų44.80%021%0.213CC..Hα-helixtrans-59.4-37.3176.500000112.4V36 V37 V40 Q119 K120 R121 A127 L237V36-A123 HydrophobicContact CG1-CB 4.38Å; V37-A123 HydrophobicContact CG2-CB 4.24Å; V40-A123 HydrophobicContact CB-CB 3.92Å; V40-A123 HydrophobicContact CG1-CB 4.06Å; V40-A123 HydrophobicContact CG2-CB 4.02Å; Q119-A123 WeakPolarHBondContact O-CB 3.32Å; Q119-A123 PolarHBondContact O-N 2.76Å; K120-A123 PolarHBondContact O-N 3.45Å; R121-A123 PolarHBondContact O-N 3.43Å; A123-A127 WeakPolarHBondContact O-CB 3.29Å; A123-A127 PolarHBondContact O-N 2.98Å; A123-L237 HydrophobicContact CB-CD1 3.93Å; A123-L237 HydrophobicContact CB-CD2 3.67Å; A123-L237 HydrophobicContact CB-CG 4.44Å; A123-L237 WeakPolarHBondContact O-CD1 3.49Å
124I97.9Very high96.9Very high23 Ų2344.9 Ų44.912%0.11822%0.222CC..Hα-helixtrans-66.5-47.4174.4-65169.5000110.7K120 R121 Y122 S126 A127 L128 L235 L237 L240 Y264K120-I124 WeakPolarHBondContact O-CG1 3.38Å; K120-I124 PolarHBondContact O-N 3.39Å; K120-I124 VanDerWaalsContact O-N 3.14Å; R121-I124 PolarHBondContact O-N 3.14Å; Y122-I124 VanDerWaalsContact C-N 3.26Å; Y122-I124 PolarHBondContact O-N 3.21Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.42Å; I124-A127 PolarHBondContact O-N 2.89Å; I124-A127 VanDerWaalsContact O-N 3.09Å; I124-L128 HydrophobicContact CG2-CD1 3.95Å; I124-L128 HydrophobicContact CG2-CG 4.21Å; I124-L128 WeakPolarHBondContact O-CG 3.43Å; I124-L128 PolarHBondContact O-N 3.02Å; I124-L235 HydrophobicContact CG2-CB 4.31Å; I124-L235 HydrophobicContact CG2-CD1 4.39Å; I124-L237 HydrophobicContact CG1-CB 4.33Å; I124-L240 HydrophobicContact CG2-CD1 4.02Å; I124-Y264 HydrophobicContact CG2-CE1 4.48Å; I124-Y264 WeakPolarHBondContact CG2-OH 3.44Å
125C97.6Very high96.8Very high0 Ų036.7 Ų36.70%021%0.206CC..Hα-helixtrans-57.9-44.5176.8-64.20000112.1V27 A30 R121 Y122 A127 L128 A129 Y264 Y277V27-C125 HydrophobicContact CG2-CB 3.97Å; A30-C125 HydrophobicContact CB-CB 3.99Å; R121-C125 PolarHBondContact O-N 3.34Å; R121-C125 PolarHBondContact O-SG 3.15Å; R121-C125 VanDerWaalsContact O-SG 3.37Å; Y122-C125 PolarHBondContact O-N 3.19Å; Y122-C125 VanDerWaalsContact O-N 3.15Å; C125-A127 VanDerWaalsContact C-N 3.33Å; C125-A127 PolarHBondContact O-N 3.28Å; C125-L128 PolarHBondContact O-N 3.38Å; C125-A129 WeakPolarHBondContact O-CB 3.17Å; C125-A129 PolarHBondContact O-N 3.1Å; C125-Y264 WeakPolarHBondContact SG-CD1 3.39Å; C125-Y264 VanDerWaalsContact SG-CE1 3.58Å; C125-Y277 PolarHBondContact SG-OH 3.49Å
126S98Very high96.8Very high0 Ų038.8 Ų38.80%022%0.217CC..Hα-helixtrans-60.3-40.4174.1-720000112.6P31 R33 Y122 I124 A130P31-S126 PolarHBondContact O-OG 3.1Å; R33-S126 PolarHBondContact N-OG 3.36Å; R33-S126 VanDerWaalsContact N-OG 3.1Å; Y122-S126 WeakPolarHBondContact CE2-OG 3.47Å; Y122-S126 PolarHBondContact O-N 3.07Å; Y122-S126 PolarHBondContact O-OG 3.49Å; I124-S126 VanDerWaalsContact C-N 3.33Å; I124-S126 PolarHBondContact O-N 3.42Å; S126-A130 VanDerWaalsContact O-CB 3.31Å; S126-A130 WeakPolarHBondContact O-CB 3.39Å; S126-A130 PolarHBondContact O-N 3.08Å
127A98.1Very high96.8Very high2 Ų234.2 Ų34.22%0.01719%0.192CC..Hα-helixtrans-69.3-36.917900000112.5A123 I124 C125 S131 L237 L240 A241A123-A127 WeakPolarHBondContact O-CB 3.29Å; A123-A127 PolarHBondContact O-N 2.98Å; I124-A127 PolarHBondContact O-N 2.89Å; I124-A127 VanDerWaalsContact O-N 3.09Å; C125-A127 VanDerWaalsContact C-N 3.33Å; C125-A127 PolarHBondContact O-N 3.28Å; A127-S131 PolarHBondContact O-N 3.23Å; A127-L237 HydrophobicContact CB-CD1 4.01Å; A127-L240 HydrophobicContact CB-CB 4.06Å; A127-A241 HydrophobicContact CB-CB 4.37Å
128L97.1Very high96.8Very high0 Ų034.9 Ų34.90%019%0.191CC..Hα-helixtrans-68.3-49.4174.6-68.2174.7000111.4V27 F28 I124 C125 A130 S131 L235 L240 W252 L260 Y264V27-L128 HydrophobicContact CG1-CD1 4.23Å; V27-L128 HydrophobicContact CG2-CB 4.37Å; V27-L128 HydrophobicContact CG2-CD1 3.84Å; F28-L128 WeakPolarHBondContact CD1-O 3.37Å; F28-L128 HydrophobicContact CE1-CB 4.4Å; F28-L128 WeakPolarHBondContact CE1-O 3.42Å; I124-L128 HydrophobicContact CG2-CD1 3.95Å; I124-L128 HydrophobicContact CG2-CG 4.21Å; I124-L128 WeakPolarHBondContact O-CG 3.43Å; I124-L128 PolarHBondContact O-N 3.02Å; C125-L128 PolarHBondContact O-N 3.38Å; L128-A130 PolarHBondContact O-N 3.16Å; L128-S131 PolarHBondContact O-N 3.45Å; L128-S131 PolarHBondContact O-OG 3.41Å; L128-L235 HydrophobicContact CD1-CD1 4Å; L128-L235 HydrophobicContact CD2-CD1 4.26Å; L128-L240 HydrophobicContact CD2-CD1 3.92Å; L128-L240 HydrophobicContact CD2-CD2 4.36Å; L128-L240 HydrophobicContact CG-CD1 4.28Å; L128-W252 HydrophobicContact CD2-CH2 3.51Å; L128-W252 HydrophobicContact CD2-CZ2 3.52Å; L128-L260 HydrophobicContact CD1-CD2 4.32Å; L128-Y264 HydrophobicContact CD1-CE2 4Å
129A96.3Very high96.8Very high1 Ų135 Ų351%0.00819%0.194CC..Hα-helixtrans-55.7-40.8175.400000112.1F28 A30 I32 C125 S131 A132F28-A129 WeakPolarHBondContact O-CA 3.13Å; F28-A129 VanDerWaalsContact O-CB 3.3Å; F28-A129 WeakPolarHBondContact O-CB 3.38Å; A30-A129 HydrophobicContact CB-CB 4.38Å; A30-A129 VanDerWaalsContact O-CB 3.31Å; A30-A129 WeakPolarHBondContact O-CB 3.29Å; I32-A129 HydrophobicContact CD1-CB 4.28Å; I32-A129 HydrophobicContact CG1-CB 3.8Å; C125-A129 WeakPolarHBondContact O-CB 3.17Å; C125-A129 PolarHBondContact O-N 3.1Å; A129-S131 VanDerWaalsContact C-N 3.3Å; A129-S131 PolarHBondContact O-N 3.4Å; A129-A132 PolarHBondContact O-N 3.12Å
130A96.9Very high96.8Very high0 Ų034 Ų340%019%0.189CC..Hα-helixtrans-68.3-23.7177.200000114.5I32 S126 L128 A132 I133 L136 V246I32-A130 HydrophobicContact CD1-CB 4.02Å; I32-A130 HydrophobicContact CG1-CB 4.41Å; I32-A130 HydrophobicContact CG2-CB 4.25Å; S126-A130 VanDerWaalsContact O-CB 3.31Å; S126-A130 WeakPolarHBondContact O-CB 3.39Å; S126-A130 PolarHBondContact O-N 3.08Å; L128-A130 PolarHBondContact O-N 3.16Å; A130-A132 VanDerWaalsContact C-N 3.29Å; A130-I133 PolarHBondContact O-N 3.12Å; A130-L136 HydrophobicContact CB-CD1 3.76Å; A130-V246 HydrophobicContact CB-CB 3.62Å; A130-V246 HydrophobicContact CB-CG1 4.4Å; A130-V246 HydrophobicContact CB-CG2 3.9Å
131S96.3Very high96.8Very high4 Ų431.1 Ų31.13%0.02818%0.182CC..Hα-helixtrans-78.3-13.6177.267.60000113.4A127 L128 A129 V150 R248A127-S131 PolarHBondContact O-N 3.23Å; L128-S131 PolarHBondContact O-N 3.45Å; L128-S131 PolarHBondContact O-OG 3.41Å; A129-S131 VanDerWaalsContact C-N 3.3Å; A129-S131 PolarHBondContact O-N 3.4Å; S131-V150 WeakPolarHBondContact O-CG1 3.49Å; S131-R248 VanDerWaalsContact CB-O 3.24Å; S131-R248 WeakPolarHBondContact CB-O 3.26Å
132A94.9Very high96.8Very high16 Ų1628.8 Ų28.813%0.13217%0.174CC..THydrogen-bonded Turntrans-83.3-11.7172.300000113.9F28 A129 A130 P134 P151F28-A132 HydrophobicContact CB-CB 4.23Å; F28-A132 HydrophobicContact CD1-CB 3.61Å; F28-A132 HydrophobicContact CE1-CB 4.35Å; F28-A132 HydrophobicContact CG-CB 4.21Å; A129-A132 PolarHBondContact O-N 3.12Å; A130-A132 VanDerWaalsContact C-N 3.29Å; A132-P134 WeakPolarHBondContact O-CD 3.23Å; A132-P151 HydrophobicContact CB-CG 3.62Å
133I94.5Very high96.7Very high66 Ų6632.5 Ų32.534%0.33819%0.187SC..  trans-99.5111.8-175.4-58.6-179.8000109.4I32 A130 A135 L136 V137I32-I133 HydrophobicContact CD1-CD1 3.47Å; I32-I133 VanDerWaalsContact CD1-CD1 3.47Å; A130-I133 PolarHBondContact O-N 3.12Å; I133-A135 VanDerWaalsContact C-N 3.3Å; I133-A135 HydrophobicContact CG2-CB 4.29Å; I133-A135 PolarHBondContact O-N 3.49Å; I133-L136 HydrophobicContact CB-CB 4.29Å; I133-L136 HydrophobicContact CB-CD1 4.09Å; I133-L136 HydrophobicContact CB-CG 4.12Å; I133-L136 HydrophobicContact CD1-CD1 3.97Å; I133-L136 HydrophobicContact CG2-CB 4.43Å; I133-L136 HydrophobicContact CG2-CD1 4.36Å; I133-L136 HydrophobicContact CG2-CG 4Å; I133-L136 PolarHBondContact O-N 3.49Å; I133-L136 VanDerWaalsContact O-N 3.08Å; I133-V137 PolarHBondContact O-N 2.65Å; I133-V137 VanDerWaalsContact O-N 3.12Å
134P94.9Very high96.6Very high65 Ų6533 Ų3342%0.42219%0.19SC..Hα-helixtrans-54.6-43.2-177.2-27.234.4000113.3A132 L136 V137 M138 I144 V150A132-P134 WeakPolarHBondContact O-CD 3.23Å; P134-L136 VanDerWaalsContact C-N 3.31Å; P134-L136 PolarHBondContact O-N 3.29Å; P134-V137 PolarHBondContact O-N 3.06Å; P134-V137 VanDerWaalsContact O-N 3.11Å; P134-M138 WeakPolarHBondContact O-CG 3.17Å; P134-M138 PolarHBondContact O-N 3.1Å; P134-I144 HydrophobicContact CB-CD1 4.24Å; P134-V150 HydrophobicContact CG-CB 4.23Å
135A95.8Very high96.4Very high69 Ų6936.8 Ų36.857%0.5721%0.207SC*.Hα-helixtrans-58.4-40.9179.400000112.7I133 S139I133-A135 VanDerWaalsContact C-N 3.3Å; I133-A135 HydrophobicContact CG2-CB 4.29Å; I133-A135 PolarHBondContact O-N 3.49Å; A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.28Å; A135-S139 PolarHBondContact O-N 3.38Å
136L96.7Very high96.3Very high51 Ų5142 Ų4227%0.26723%0.232SC..Hα-helixtrans-70.2-38.9177.1-65.3-178.2000111.2I32 A130 I133 P134 S139 K140I32-L136 HydrophobicContact CD1-CD1 3.78Å; A130-L136 HydrophobicContact CB-CD1 3.76Å; I133-L136 HydrophobicContact CB-CB 4.29Å; I133-L136 HydrophobicContact CB-CD1 4.09Å; I133-L136 HydrophobicContact CB-CG 4.12Å; I133-L136 HydrophobicContact CD1-CD1 3.97Å; I133-L136 HydrophobicContact CG2-CB 4.43Å; I133-L136 HydrophobicContact CG2-CD1 4.36Å; I133-L136 HydrophobicContact CG2-CG 4Å; I133-L136 PolarHBondContact O-N 3.49Å; I133-L136 VanDerWaalsContact O-N 3.08Å; P134-L136 VanDerWaalsContact C-N 3.31Å; P134-L136 PolarHBondContact O-N 3.29Å; L136-S139 WeakPolarHBondContact CA-OG 3.38Å; L136-S139 PolarHBondContact O-N 3.29Å; L136-S139 PolarHBondContact O-OG 3.37Å; L136-K140 PolarHBondContact O-N 3.04Å; L136-K140 VanDerWaalsContact O-N 3.07Å
137V97.3Very high96.1Very high0 Ų043 Ų430%024%0.237CC..Hα-helixtrans-65.6-41.5178178.30000112.1I133 P134 K140 H142 I144 G247 F249I133-V137 PolarHBondContact O-N 2.65Å; I133-V137 VanDerWaalsContact O-N 3.12Å; P134-V137 PolarHBondContact O-N 3.06Å; P134-V137 VanDerWaalsContact O-N 3.11Å; V137-K140 WeakPolarHBondContact O-CB 3.33Å; V137-K140 PolarHBondContact O-N 3.25Å; V137-H142 HydrophobicContact CG1-CB 3.92Å; V137-H142 PolarHBondContact O-N 3.28Å; V137-I144 HydrophobicContact CB-CD1 3.94Å; V137-I144 HydrophobicContact CG1-CD1 3.78Å; V137-I144 HydrophobicContact CG1-CG1 4.38Å; V137-I144 HydrophobicContact CG1-CG2 3.88Å; V137-G247 WeakPolarHBondContact CA-O 3.45Å; V137-F249 HydrophobicContact CG1-CB 3.71Å; V137-F249 HydrophobicContact CG1-CD2 4.36Å; V137-F249 HydrophobicContact CG1-CG 4.41Å
138M96.6Very high95.7Very high92 Ų9246 Ų4645%0.45326%0.256SS..Hα-helixtrans-67.8-41.3173.9-67.7178.178.200111.7P134 K140 G141 I144 E145P134-M138 WeakPolarHBondContact O-CG 3.17Å; P134-M138 PolarHBondContact O-N 3.1Å; M138-K140 PolarHBondContact O-N 3.39Å; M138-G141 VanDerWaalsContact O-CA 3.26Å; M138-G141 WeakPolarHBondContact O-CA 3.4Å; M138-G141 PolarHBondContact O-N 3.07Å; M138-I144 HydrophobicContact CG-CD1 3.82Å; M138-I144 HydrophobicContact CG-CG1 3.59Å; M138-I144 HydrophobicContact SD-CG1 4.42Å; M138-E145 HydrophobicContact CE-CG 4.27Å
139S96.8Very high95.5Very high93 Ų9346.7 Ų46.765%0.6526%0.259SS*.Hα-helixtrans-61.3-32.2177.977.90000112.6A135 L136 G141A135-S139 VanDerWaalsContact O-CB 3.3Å; A135-S139 WeakPolarHBondContact O-CB 3.28Å; A135-S139 PolarHBondContact O-N 3.38Å; L136-S139 WeakPolarHBondContact CA-OG 3.38Å; L136-S139 PolarHBondContact O-N 3.29Å; L136-S139 PolarHBondContact O-OG 3.37Å; S139-G141 PolarHBondContact O-N 3.25Å
140K96.6Very high95.3Very high51 Ų5148 Ų4822%0.22227%0.267CS..Hα-helixtrans-65.5-24.7172.3-175.565.2175.9-162.10112.3L136 V137 M138 P242 H245 G247L136-K140 PolarHBondContact O-N 3.04Å; L136-K140 VanDerWaalsContact O-N 3.07Å; V137-K140 WeakPolarHBondContact O-CB 3.33Å; V137-K140 PolarHBondContact O-N 3.25Å; M138-K140 PolarHBondContact O-N 3.39Å; K140-P242 PolarHBondContact NZ-O 3.32Å; K140-H245 HydrophobicContact CD-CB 4.24Å; K140-H245 PolarHBondContact NZ-O 3.31Å; K140-G247 WeakPolarHBondContact CB-O 3.26Å; K140-G247 WeakPolarHBondContact CG-O 3.5Å
141G96.4Very high95.2Very high21 Ų2148.1 Ų48.122%0.21627%0.268CS..THydrogen-bonded Turntrans100.223.5176.600000114.3M138 S139 K182M138-G141 VanDerWaalsContact O-CA 3.26Å; M138-G141 WeakPolarHBondContact O-CA 3.4Å; M138-G141 PolarHBondContact O-N 3.07Å; S139-G141 PolarHBondContact O-N 3.25Å; G141-K182 WeakPolarHBondContact O-CE 3.39Å; G141-K182 PolarHBondContact O-NZ 3Å
142H98.2Very high95.1Very high11 Ų1147.9 Ų47.95%0.05127%0.266CS..  trans-76.3147.9168.1-71.5-75.6000111V137 I144 D179 F249V137-H142 HydrophobicContact CG1-CB 3.92Å; V137-H142 PolarHBondContact O-N 3.28Å; H142-I144 HydrophobicContact CB-CG2 3.98Å; H142-D179 WeakPolarHBondContact CA-OD1 3.31Å; H142-D179 IonicContact CE1-OD2 2.76Å; H142-D179 IonicContact CG-OD1 2.74Å; H142-D179 IonicContact CG-OD2 3.4Å; H142-D179 IonicContact ND1-OD1 3.98Å; H142-D179 PolarHBondContact ND1-OD1 3.43Å; H142-D179 IonicContact ND1-OD2 3.81Å; H142-D179 PolarHBondContact ND1-OD2 3.17Å; H142-F249 HydrophobicContact CB-CB 3.95Å; H142-F249 PolarHBondContact CD2-N 2.79Å; H142-F249 VanDerWaalsContact CD2-N 3.28Å; H142-F249 PolarHBondContact NE2-N 3.17Å
143R96.4Very high95.3Very high117 Ų11747.1 Ų47.144%0.44226%0.26SS..  trans-90.8100.1171.8-68.3-66.4-170.2-173.73.9109.5E145 N178 D179 K182R143-E145 VanDerWaalsContact C-OE2 3.22Å; R143-E145 WeakPolarHBondContact CA-OE2 3.37Å; R143-E145 WeakPolarHBondContact CB-OE2 3.42Å; R143-E145 WeakPolarHBondContact CD-OE1 3.36Å; R143-E145 WeakPolarHBondContact CD-OE2 3.37Å; R143-E145 IonicContact CZ-OE1 2.82Å; R143-E145 IonicContact NE-OE1 3.61Å; R143-E145 IonicContact NH1-OE1 3.94Å; R143-E145 PolarHBondContact NH1-OE1 3.26Å; R143-N178 HydrophobicContact CB-CB 4.24Å; R143-D179 HydrophobicContact CB-CB 4.33Å; R143-D179 PolarHBondContact N-OD1 3.48Å; R143-D179 VanDerWaalsContact N-OD1 3.13Å; R143-K182 HydrophobicContact CG-CD 3.91Å
144I96Very high95.4Very high12 Ų1244.1 Ų44.16%0.06225%0.245CC..  trans-124.812.3-176.265.9158.7000113.1P134 V137 M138 H142 E146 I147 V150 F249P134-I144 HydrophobicContact CB-CD1 4.24Å; V137-I144 HydrophobicContact CB-CD1 3.94Å; V137-I144 HydrophobicContact CG1-CD1 3.78Å; V137-I144 HydrophobicContact CG1-CG1 4.38Å; V137-I144 HydrophobicContact CG1-CG2 3.88Å; M138-I144 HydrophobicContact CG-CD1 3.82Å; M138-I144 HydrophobicContact CG-CG1 3.59Å; M138-I144 HydrophobicContact SD-CG1 4.42Å; H142-I144 HydrophobicContact CB-CG2 3.98Å; I144-E146 PolarHBondContact O-N 3.36Å; I144-I147 HydrophobicContact CB-CB 4.49Å; I144-I147 HydrophobicContact CB-CD1 3.69Å; I144-I147 HydrophobicContact CB-CG1 4.17Å; I144-I147 HydrophobicContact CG2-CD1 3.59Å; I144-I147 PolarHBondContact O-N 2.96Å; I144-V150 HydrophobicContact CD1-CG2 4.1Å; I144-F249 HydrophobicContact CG2-CB 4.36Å; I144-F249 HydrophobicContact CG2-CD1 4.36Å; I144-F249 HydrophobicContact CG2-CD2 3.99Å; I144-F249 HydrophobicContact CG2-CE2 4.45Å; I144-F249 HydrophobicContact CG2-CG 3.97Å
145E94.1Very high95.5Very high102 Ų10242.9 Ų42.948%0.47723%0.233SC..THydrogen-bonded Turntrans-62.1-31.7-172.7-58.789.7160.200112.9M138 R143M138-E145 HydrophobicContact CE-CG 4.27Å; R143-E145 VanDerWaalsContact C-OE2 3.22Å; R143-E145 WeakPolarHBondContact CA-OE2 3.37Å; R143-E145 WeakPolarHBondContact CB-OE2 3.42Å; R143-E145 WeakPolarHBondContact CD-OE1 3.36Å; R143-E145 WeakPolarHBondContact CD-OE2 3.37Å; R143-E145 IonicContact CZ-OE1 2.82Å; R143-E145 IonicContact NE-OE1 3.61Å; R143-E145 IonicContact NH1-OE1 3.94Å; R143-E145 PolarHBondContact NH1-OE1 3.26Å
146E94.5Very high95.5Very high110 Ų11042.4 Ų42.451%0.51422%0.221SC..THydrogen-bonded Turntrans-98.7-3.3-177.9-69.1175.3-157.900113.4I144 K175 N178I144-E146 PolarHBondContact O-N 3.36Å; E146-K175 HydrophobicContact CB-CB 3.89Å; E146-K175 HydrophobicContact CB-CD 4.08Å; E146-K175 HydrophobicContact CB-CG 4.48Å; E146-K175 WeakPolarHBondContact O-CD 3.24Å; E146-N178 PolarHBondContact OE1-ND2 2.8Å; E146-N178 PolarHBondContact OE2-ND2 2.99Å
147I94.1Very high95.5Very high19 Ų1946.1 Ų46.110%0.09724%0.235CC..  trans-73.5136.5-174.6-62.2-173.5000109.6I144 E149 L152 A176 F249I144-I147 HydrophobicContact CB-CB 4.49Å; I144-I147 HydrophobicContact CB-CD1 3.69Å; I144-I147 HydrophobicContact CB-CG1 4.17Å; I144-I147 HydrophobicContact CG2-CD1 3.59Å; I144-I147 PolarHBondContact O-N 2.96Å; I147-E149 WeakPolarHBondContact CG2-O 3.23Å; I147-E149 PolarHBondContact O-N 3.28Å; I147-L152 HydrophobicContact CG2-CD1 4.27Å; I147-L152 HydrophobicContact CG2-CD2 4.34Å; I147-A176 HydrophobicContact CD1-CB 4.49Å; I147-F249 HydrophobicContact CD1-CD1 4.4Å; I147-F249 HydrophobicContact CD1-CD2 4.45Å; I147-F249 HydrophobicContact CD1-CE1 3.68Å; I147-F249 HydrophobicContact CD1-CE2 3.74Å; I147-F249 HydrophobicContact CD1-CZ 3.32Å
148P90.1Very high95.4Very high66 Ų6646.2 Ų46.243%0.42924%0.236SC..SBendtrans-69.2-36-173.427.3-36.4000113.4F11 L152F11-P148 HydrophobicContact CD1-CG 4.08Å; F11-P148 HydrophobicContact CE1-CB 3.62Å; F11-P148 HydrophobicContact CE1-CG 3.54Å; F11-P148 HydrophobicContact CE2-CG 4.17Å; F11-P148 HydrophobicContact CZ-CB 3.58Å; F11-P148 HydrophobicContact CZ-CG 3.6Å; P148-L152 HydrophobicContact CG-CD1 4.14Å
149E91.8Very high95.4Very high15 Ų1542.5 Ų42.57%0.0722%0.218CC..  trans-151.9150.4-177.1-171.7159.2-143.600112.7R5 S9 F11 I147R5-E149 IonicContact CZ-OE1 3.89Å; R5-E149 IonicContact NH1-OE1 3.06Å; R5-E149 PolarHBondContact NH1-OE1 2.87Å; S9-E149 PolarHBondContact N-OE2 3.49Å; S9-E149 VanDerWaalsContact N-OE2 3.12Å; F11-E149 HydrophobicContact CE2-CB 3.83Å; F11-E149 HydrophobicContact CZ-CB 4.07Å; I147-E149 WeakPolarHBondContact CG2-O 3.23Å; I147-E149 PolarHBondContact O-N 3.28Å
150V92.4Very high95.4Very high29 Ų2940 Ų4018%0.17621%0.206CC..SBendtrans-133.2124.8171.9179.60000108.2S131 P134 I144S131-V150 WeakPolarHBondContact O-CG1 3.49Å; P134-V150 HydrophobicContact CG-CB 4.23Å; I144-V150 HydrophobicContact CD1-CG2 4.1Å
151P93.9Very high95.4Very high1 Ų138.6 Ų38.61%0.00620%0.199CC..SBendcis-61.7143.4-3.7-20.332.5000113.8I8 F28 A132 F257I8-P151 HydrophobicContact CD1-CG 4.31Å; F28-P151 HydrophobicContact CD1-CG 4.3Å; F28-P151 HydrophobicContact CE1-CG 4.18Å; F28-P151 HydrophobicContact CZ-CG 4.41Å; A132-P151 HydrophobicContact CB-CG 3.62Å; P151-F257 HydrophobicContact CB-CE2 4.07Å; P151-F257 HydrophobicContact CG-CE2 4.38Å
152L96Very high95.3Very high0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-88.1119.7176.6-173.566.6000110.2F11 I147 P148 L174 F249 I251 W252F11-L152 HydrophobicContact CD2-CD1 3.84Å; F11-L152 HydrophobicContact CE2-CD1 4.13Å; F11-L152 HydrophobicContact CG-CD1 4.43Å; I147-L152 HydrophobicContact CG2-CD1 4.27Å; I147-L152 HydrophobicContact CG2-CD2 4.34Å; P148-L152 HydrophobicContact CG-CD1 4.14Å; L152-L174 HydrophobicContact CD2-CB 4.29Å; L152-L174 HydrophobicContact CD2-CD1 4.26Å; L152-F249 HydrophobicContact CB-CE2 4.27Å; L152-F249 HydrophobicContact CB-CZ 4.39Å; L152-F249 HydrophobicContact CD2-CZ 3.97Å; L152-I251 HydrophobicContact CD2-CD1 4.32Å; L152-I251 HydrophobicContact CD2-CG1 4.13Å; L152-I251 HydrophobicContact CD2-CG2 4.13Å; L152-I251 HydrophobicContact CG-CG2 4.41Å; L152-W252 PolarHBondContact O-N 3.34Å
153V97.4Very high95.3Very high0 Ų051.6 Ų51.60%025%0.25CC..EExtended strand (participates in β ladder)trans-116.8130178.8-175.20000109.7I8 V10 F11 W252 E254 F257I8-V153 HydrophobicContact CG2-CB 4.3Å; I8-V153 HydrophobicContact CG2-CG2 3.76Å; V10-V153 HydrophobicContact CG1-CG1 4.44Å; V10-V153 HydrophobicContact CG2-CG1 4.15Å; F11-V153 WeakPolarHBondContact CD2-O 3.22Å; F11-V153 PolarHBondContact N-O 3.1Å; V153-W252 CarbonylContact C-O 3.58Å; V153-W252 WeakPolarHBondContact CA-O 3.42Å; V153-W252 HydrophobicContact CG2-CB 4.4Å; V153-E254 HydrophobicContact CG1-CB 4.43Å; V153-F257 HydrophobicContact CG1-CB 4.18Å; V153-F257 HydrophobicContact CG1-CG 4.4Å; V153-F257 HydrophobicContact CG2-CB 4.29Å; V153-F257 HydrophobicContact CG2-CD1 3.94Å; V153-F257 HydrophobicContact CG2-CD2 3.7Å; V153-F257 HydrophobicContact CG2-CE1 4.17Å; V153-F257 HydrophobicContact CG2-CE2 3.94Å; V153-F257 HydrophobicContact CG2-CG 3.71Å; V153-F257 HydrophobicContact CG2-CZ 4.2Å
154V97Very high95.4Very high3 Ų348.2 Ų48.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-120.3153-179.5-61.30000110.8F11 V158 L174 I251 W252 T253 E254F11-V154 CarbonylContact O-C 3.58Å; F11-V154 WeakPolarHBondContact O-CA 3.35Å; V154-V158 HydrophobicContact CB-CG2 4.21Å; V154-V158 HydrophobicContact CG2-CB 4.27Å; V154-V158 HydrophobicContact CG2-CG2 3.89Å; V154-L174 HydrophobicContact CG1-CD1 3.6Å; V154-L174 HydrophobicContact CG1-CD2 3.95Å; V154-L174 HydrophobicContact CG1-CG 4.44Å; V154-I251 HydrophobicContact CG1-CG2 4.17Å; V154-I251 HydrophobicContact CG2-CG2 4.27Å; V154-W252 WeakPolarHBondContact CG2-O 3.45Å; V154-W252 PolarHBondContact N-O 3.08Å; V154-T253 HydrophobicContact CG2-CG2 4.36Å; V154-T253 CarbonylContact O-C 3.3Å; V154-T253 WeakPolarHBondContact O-CA 3.43Å; V154-E254 PolarHBondContact O-N 2.96Å
155E97Very high95.5Very high38 Ų3856.4 Ų56.418%0.17828%0.277CS..  trans-59.3151.9178.1-68.7-168.113000113.2V10 F11 S18 K20 K157 V158V10-E155 HydrophobicContact CG1-CB 4.46Å; V10-E155 HydrophobicContact CG1-CG 3.69Å; F11-E155 PolarHBondContact O-N 3.27Å; S18-E155 WeakPolarHBondContact CB-OE1 3.49Å; K20-E155 IonicContact NZ-OE1 2.92Å; K20-E155 PolarHBondContact NZ-OE1 2.65Å; E155-K157 PolarHBondContact O-N 3.14Å; E155-K157 VanDerWaalsContact O-N 3.07Å; E155-V158 WeakPolarHBondContact O-CG2 3.46Å; E155-V158 PolarHBondContact O-N 3.32Å
156D96.6Very high95.5Very high60 Ų6055.1 Ų55.132%0.32127%0.271SS..G310 helixtrans-63.9-15-178.3-71.1-38.8000114.1V158 E159 E254 S255D156-V158 PolarHBondContact O-N 2.82Å; D156-E159 WeakPolarHBondContact O-CB 3.38Å; D156-E159 PolarHBondContact O-N 2.88Å; D156-E254 PolarHBondContact OD1-N 3.25Å; D156-S255 WeakPolarHBondContact OD1-CB 3.41Å; D156-S255 PolarHBondContact OD1-N 3.47Å; D156-S255 PolarHBondContact OD1-OG 2.95Å; D156-S255 WeakPolarHBondContact OD2-CB 3.34Å; D156-S255 PolarHBondContact OD2-N 2.97Å
157K95.6Very high95.7Very high128 Ų12849.9 Ų49.956%0.55725%0.247SC*.G310 helixtrans-53.3-29173-171.2-178178.4-166.20112.5D13 E155 E159 G160D13-K157 WeakPolarHBondContact OD2-CE 3.44Å; D13-K157 IonicContact OD2-NZ 3.38Å; D13-K157 PolarHBondContact OD2-NZ 3.41Å; E155-K157 PolarHBondContact O-N 3.14Å; E155-K157 VanDerWaalsContact O-N 3.07Å; K157-E159 PolarHBondContact O-N 3.04Å; K157-G160 PolarHBondContact O-N 2.93Å
158V95.8Very high95.8Very high3 Ų350.5 Ų50.52%0.01825%0.251CS..G310 helixtrans-61.7-27.6176.9179.20000112.2V154 E155 D156 G160 Y161 L170 L217 F221V154-V158 HydrophobicContact CB-CG2 4.21Å; V154-V158 HydrophobicContact CG2-CB 4.27Å; V154-V158 HydrophobicContact CG2-CG2 3.89Å; E155-V158 WeakPolarHBondContact O-CG2 3.46Å; E155-V158 PolarHBondContact O-N 3.32Å; D156-V158 PolarHBondContact O-N 2.82Å; V158-G160 PolarHBondContact O-N 2.77Å; V158-Y161 HydrophobicContact CG1-CD2 4.43Å; V158-Y161 HydrophobicContact CG1-CE2 4.5Å; V158-Y161 PolarHBondContact O-N 3.4Å; V158-L170 HydrophobicContact CB-CD2 4.3Å; V158-L170 HydrophobicContact CG1-CD2 3.56Å; V158-L170 HydrophobicContact CG2-CD1 4.14Å; V158-L170 HydrophobicContact CG2-CD2 3.67Å; V158-L217 HydrophobicContact CG1-CD1 4.11Å; V158-F221 HydrophobicContact CG1-CE2 4.01Å; V158-F221 HydrophobicContact CG1-CZ 4Å
159E95.9Very high96.2Very high14 Ų1452.1 Ų52.17%0.06526%0.256CS..G310 helixtrans-65.1-27.7178.2-61.1-164.6166.900112.8D156 K157 N212 Q213 A215 G216 L217 T253 S255D156-E159 WeakPolarHBondContact O-CB 3.38Å; D156-E159 PolarHBondContact O-N 2.88Å; K157-E159 PolarHBondContact O-N 3.04Å; E159-N212 PolarHBondContact OE1-N 3.39Å; E159-Q213 PolarHBondContact OE2-N 3.42Å; E159-Q213 VanDerWaalsContact OE2-N 3.1Å; E159-A215 CarbonylContact O-C 3.59Å; E159-A215 WeakPolarHBondContact O-CB 3.42Å; E159-G216 PolarHBondContact O-N 3.47Å; E159-L217 HydrophobicContact CB-CD1 4.47Å; E159-L217 HydrophobicContact CG-CD1 4.17Å; E159-L217 WeakPolarHBondContact O-CB 3.4Å; E159-L217 PolarHBondContact O-N 3.28Å; E159-L217 VanDerWaalsContact O-N 3.16Å; E159-T253 HydrophobicContact CG-CG2 3.72Å; E159-T253 WeakPolarHBondContact OE1-CB 3.34Å; E159-T253 PolarHBondContact OE1-OG1 3.25Å; E159-S255 PolarHBondContact OE1-OG 3.05Å
160G96.5Very high96.4Very high39 Ų3951.6 Ų51.640%0.40225%0.254SS..G310 helixtrans-882.2-178.800000115.5K157 V158 K162K157-G160 PolarHBondContact O-N 2.93Å; V158-G160 PolarHBondContact O-N 2.77Å; G160-K162 PolarHBondContact O-N 3.46Å
161Y96.6Very high96.6Very high23 Ų2350.3 Ų50.39%0.0925%0.246CC..  trans-64.4133.5179.9-77.44.5000111.9D13 V158 E166 L170 G216 L217 A220 F221D13-Y161 WeakPolarHBondContact CB-OH 3.32Å; V158-Y161 HydrophobicContact CG1-CD2 4.43Å; V158-Y161 HydrophobicContact CG1-CE2 4.5Å; V158-Y161 PolarHBondContact O-N 3.4Å; Y161-E166 HydrophobicContact CD2-CB 4.12Å; Y161-E166 HydrophobicContact CE2-CB 4.25Å; Y161-E166 HydrophobicContact CG-CB 4.35Å; Y161-L170 HydrophobicContact CE2-CB 3.95Å; Y161-L170 HydrophobicContact CE2-CD2 3.95Å; Y161-L170 HydrophobicContact CE2-CG 4.41Å; Y161-G216 CarbonylContact O-C 3.55Å; Y161-G216 VanDerWaalsContact O-O 3.05Å; Y161-L217 PolarHBondContact O-N 3.16Å; Y161-A220 WeakPolarHBondContact O-CB 3.38Å; Y161-F221 HydrophobicContact CD2-CE2 4.28Å; Y161-F221 HydrophobicContact CD2-CZ 4.38Å
162K96.3Very high96.8Very high167 Ų16755.7 Ų55.773%0.72627%0.269SS*.  trans-109.6-27.3-179.4-64.3-177.8-177.5176.90112.5G160G160-K162 PolarHBondContact O-N 3.46Å
163K97.5Very high96.8Very high137 Ų13761.1 Ų61.160%0.59629%0.293SS*.  trans-109.3137.8-173.9-63.6179.5-179.2173.60111.9K165 E166 A167K163-K165 PolarHBondContact O-N 3.35Å; K163-E166 HydrophobicContact CB-CG 4.26Å; K163-E166 PolarHBondContact N-OE2 3.09Å; K163-E166 WeakPolarHBondContact O-CB 3.48Å; K163-E166 PolarHBondContact O-N 2.98Å; K163-E166 VanDerWaalsContact O-N 3.16Å; K163-A167 PolarHBondContact O-N 3.39Å
164T97.9Very high96.7Very high46 Ų4661.1 Ų61.128%0.28229%0.293SS..Hα-helixtrans-60.1-30.2175.3-42.60000112.6E166 A167 V168 A220 N223 I224T164-E166 VanDerWaalsContact C-N 3.34Å; T164-E166 PolarHBondContact O-N 2.61Å; T164-A167 PolarHBondContact O-N 3.13Å; T164-V168 HydrophobicContact CG2-CG2 4.45Å; T164-V168 WeakPolarHBondContact O-CG2 3.5Å; T164-V168 PolarHBondContact O-N 2.84Å; T164-A220 WeakPolarHBondContact CA-O 3.34Å; T164-A220 PolarHBondContact OG1-O 3.11Å; T164-N223 HydrophobicContact CG2-CB 4.36Å; T164-I224 HydrophobicContact CG2-CD1 4.15Å; T164-I224 HydrophobicContact CG2-CG1 3.7Å
165K97.4Very high96.7Very high184 Ų18466.3 Ų66.380%0.832%0.315SS*.Hα-helixtrans-61.5-41.9177.7-170.8177.8179.8-178.90111.7K163 V168 L169K163-K165 PolarHBondContact O-N 3.35Å; K165-V168 PolarHBondContact O-N 3.32Å; K165-L169 WeakPolarHBondContact O-CB 3.45Å; K165-L169 PolarHBondContact O-N 2.93Å
166E96Very high96.7Very high75 Ų7564.5 Ų64.535%0.3531%0.307SS..Hα-helixtrans-65.6-45.8176.5-65157.9-167.300110.5Y161 K163 T164 V168 L169 L170Y161-E166 HydrophobicContact CD2-CB 4.12Å; Y161-E166 HydrophobicContact CE2-CB 4.25Å; Y161-E166 HydrophobicContact CG-CB 4.35Å; K163-E166 HydrophobicContact CB-CG 4.26Å; K163-E166 PolarHBondContact N-OE2 3.09Å; K163-E166 WeakPolarHBondContact O-CB 3.48Å; K163-E166 PolarHBondContact O-N 2.98Å; K163-E166 VanDerWaalsContact O-N 3.16Å; T164-E166 VanDerWaalsContact C-N 3.34Å; T164-E166 PolarHBondContact O-N 2.61Å; E166-V168 PolarHBondContact O-N 3.16Å; E166-L169 WeakPolarHBondContact O-CB 3.42Å; E166-L169 PolarHBondContact O-N 3.03Å; E166-L169 VanDerWaalsContact O-N 3.14Å; E166-L170 PolarHBondContact O-N 3.27Å
167A97.1Very high96.7Very high0 Ų063.7 Ų63.70%030%0.299CS..Hα-helixtrans-58.8-42.517600000113.1K163 T164 L171 A220 F221 I224K163-A167 PolarHBondContact O-N 3.39Å; T164-A167 PolarHBondContact O-N 3.13Å; A167-L171 WeakPolarHBondContact O-CD1 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.07Å; A167-L171 VanDerWaalsContact O-N 3.17Å; A167-A220 HydrophobicContact CB-CB 4.35Å; A167-F221 HydrophobicContact CB-CD1 3.74Å; A167-F221 HydrophobicContact CB-CD2 4.08Å; A167-F221 HydrophobicContact CB-CE1 3.52Å; A167-F221 HydrophobicContact CB-CE2 3.89Å; A167-F221 HydrophobicContact CB-CG 4.03Å; A167-F221 HydrophobicContact CB-CZ 3.61Å; A167-I224 HydrophobicContact CB-CD1 4.01Å
168V97.8Very high96.8Very high32 Ų3259.9 Ų59.919%0.19429%0.285CS..Hα-helixtrans-65.2-41.3175168.60000111.3T164 K165 E166 L171 K172 W177 I224T164-V168 HydrophobicContact CG2-CG2 4.45Å; T164-V168 WeakPolarHBondContact O-CG2 3.5Å; T164-V168 PolarHBondContact O-N 2.84Å; K165-V168 PolarHBondContact O-N 3.32Å; E166-V168 PolarHBondContact O-N 3.16Å; V168-L171 PolarHBondContact O-N 3.49Å; V168-K172 HydrophobicContact CG1-CD 4.36Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 3.04Å; V168-K172 VanDerWaalsContact O-N 3.08Å; V168-W177 HydrophobicContact CB-CH2 4.38Å; V168-W177 HydrophobicContact CB-CZ3 4.17Å; V168-W177 HydrophobicContact CG1-CE3 4.26Å; V168-W177 HydrophobicContact CG1-CH2 3.65Å; V168-W177 HydrophobicContact CG1-CZ2 4.2Å; V168-W177 HydrophobicContact CG1-CZ3 3.68Å; V168-W177 HydrophobicContact CG2-CH2 3.94Å; V168-W177 HydrophobicContact CG2-CZ3 3.9Å; V168-I224 HydrophobicContact CG2-CD1 3.71Å; V168-I224 HydrophobicContact CG2-CG1 4.18Å
169L97.6Very high96.9Very high100 Ų10059.9 Ų59.952%0.52429%0.285SS..Hα-helixtrans-61.7-46.4178.5-175.564.7000111.1K165 E166 L171 K172 K173K165-L169 WeakPolarHBondContact O-CB 3.45Å; K165-L169 PolarHBondContact O-N 2.93Å; E166-L169 WeakPolarHBondContact O-CB 3.42Å; E166-L169 PolarHBondContact O-N 3.03Å; E166-L169 VanDerWaalsContact O-N 3.14Å; L169-L171 PolarHBondContact O-N 3.11Å; L169-K172 WeakPolarHBondContact O-CB 3.43Å; L169-K172 PolarHBondContact O-N 3.02Å; L169-K173 WeakPolarHBondContact O-CG 3.47Å; L169-K173 PolarHBondContact O-N 3.37Å
170L96.8Very high97Very high5 Ų559.2 Ų59.23%0.02628%0.282CS..Hα-helixtrans-54.7-50.3174.617774.7000111.7D13 V158 Y161 E166 K172 K173 L174 F221D13-L170 HydrophobicContact CB-CD1 4.11Å; V158-L170 HydrophobicContact CB-CD2 4.3Å; V158-L170 HydrophobicContact CG1-CD2 3.56Å; V158-L170 HydrophobicContact CG2-CD1 4.14Å; V158-L170 HydrophobicContact CG2-CD2 3.67Å; Y161-L170 HydrophobicContact CE2-CB 3.95Å; Y161-L170 HydrophobicContact CE2-CD2 3.95Å; Y161-L170 HydrophobicContact CE2-CG 4.41Å; E166-L170 PolarHBondContact O-N 3.27Å; L170-K172 PolarHBondContact O-N 3.22Å; L170-K173 PolarHBondContact O-N 3.27Å; L170-K173 VanDerWaalsContact O-N 3.1Å; L170-L174 HydrophobicContact CD1-CD1 3.85Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CD2-CD1 4.26Å; L170-L174 HydrophobicContact CG-CD1 3.7Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 WeakPolarHBondContact O-CB 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.05Å; L170-L174 PolarHBondContact O-N 3.43Å; L170-F221 HydrophobicContact CD2-CZ 3.94Å
171L96.8Very high97Very high1 Ų163 Ų631%0.00529%0.287CS..Hα-helixtrans-64.5-29.3-178.1-70.5161.1000113.1A167 V168 L169 K175 A176 W177 I180 F221 I224 I227 I251A167-L171 WeakPolarHBondContact O-CD1 3.32Å; A167-L171 WeakPolarHBondContact O-CG 3.29Å; A167-L171 PolarHBondContact O-N 3.07Å; A167-L171 VanDerWaalsContact O-N 3.17Å; V168-L171 PolarHBondContact O-N 3.49Å; L169-L171 PolarHBondContact O-N 3.11Å; L171-K175 PolarHBondContact O-N 3.46Å; L171-A176 HydrophobicContact CD2-CB 4.18Å; L171-A176 PolarHBondContact O-N 2.88Å; L171-W177 HydrophobicContact CB-CE3 4.08Å; L171-W177 PolarHBondContact O-N 3.46Å; L171-W177 VanDerWaalsContact O-N 3.13Å; L171-I180 HydrophobicContact CB-CD1 4.23Å; L171-I180 HydrophobicContact CD1-CD1 3.6Å; L171-I180 HydrophobicContact CD2-CD1 4.33Å; L171-I180 HydrophobicContact CG-CD1 4.27Å; L171-F221 HydrophobicContact CD1-CD1 4.23Å; L171-F221 HydrophobicContact CD1-CE1 3.91Å; L171-F221 HydrophobicContact CG-CE1 4.25Å; L171-I224 HydrophobicContact CD1-CD1 3.94Å; L171-I227 HydrophobicContact CD1-CD1 3.55Å; L171-I251 HydrophobicContact CD2-CD1 3.86Å
172K96.8Very high97.1Very high114 Ų11464.2 Ų64.250%0.49629%0.293SS..Hα-helixtrans-70.8-45.4171.2-72.7178.4177.6-174.40111.5V168 L169 L170 L174 K175 W177V168-K172 HydrophobicContact CG1-CD 4.36Å; V168-K172 WeakPolarHBondContact O-CG 3.42Å; V168-K172 PolarHBondContact O-N 3.04Å; V168-K172 VanDerWaalsContact O-N 3.08Å; L169-K172 WeakPolarHBondContact O-CB 3.43Å; L169-K172 PolarHBondContact O-N 3.02Å; L170-K172 PolarHBondContact O-N 3.22Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.39Å; K172-K175 PolarHBondContact O-N 2.92Å; K172-W177 HydrophobicContact CG-CB 3.9Å; K172-W177 HydrophobicContact CG-CD2 3.94Å; K172-W177 HydrophobicContact CG-CE3 4.35Å; K172-W177 HydrophobicContact CG-CG 3.7Å
173K96.4Very high97.2Very high114 Ų11456.3 Ų56.350%0.49626%0.259SS..Hα-helixtrans-63.6-38.7178.9-70.4-62.9-173.5172.60112.6K14 L169 L170 K175K14-K173 WeakPolarHBondContact O-CB 3.34Å; L169-K173 WeakPolarHBondContact O-CG 3.47Å; L169-K173 PolarHBondContact O-N 3.37Å; L170-K173 PolarHBondContact O-N 3.27Å; L170-K173 VanDerWaalsContact O-N 3.1Å; K173-K175 PolarHBondContact O-N 2.93Å
174L95.8Very high97.2Very high1 Ų155 Ų551%0.00525%0.25CS..THydrogen-bonded Turntrans-76.32.7173.4-63.3171.7000114.1F11 L152 V154 L170 K172 A176F11-L174 HydrophobicContact CB-CD2 4.05Å; L152-L174 HydrophobicContact CD2-CB 4.29Å; L152-L174 HydrophobicContact CD2-CD1 4.26Å; V154-L174 HydrophobicContact CG1-CD1 3.6Å; V154-L174 HydrophobicContact CG1-CD2 3.95Å; V154-L174 HydrophobicContact CG1-CG 4.44Å; L170-L174 HydrophobicContact CD1-CD1 3.85Å; L170-L174 HydrophobicContact CD1-CG 4.2Å; L170-L174 HydrophobicContact CD2-CD1 4.26Å; L170-L174 HydrophobicContact CG-CD1 3.7Å; L170-L174 HydrophobicContact CG-CG 4.34Å; L170-L174 WeakPolarHBondContact O-CB 3.32Å; L170-L174 WeakPolarHBondContact O-CG 3.05Å; L170-L174 PolarHBondContact O-N 3.43Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-L174 PolarHBondContact O-N 3.39Å; L174-A176 PolarHBondContact O-N 2.86Å
175K96.4Very high97.2Very high112 Ų11257.1 Ų57.149%0.48727%0.273SS..THydrogen-bonded Turntrans58.616.6-178.8-56.7171.7175.5-175.70114.6E146 L171 K172 K173 W177E146-K175 HydrophobicContact CB-CB 3.89Å; E146-K175 HydrophobicContact CB-CD 4.08Å; E146-K175 HydrophobicContact CB-CG 4.48Å; E146-K175 WeakPolarHBondContact O-CD 3.24Å; L171-K175 PolarHBondContact O-N 3.46Å; K172-K175 PolarHBondContact O-N 2.92Å; K173-K175 PolarHBondContact O-N 2.93Å; K175-W177 VanDerWaalsContact C-N 3.31Å; K175-W177 PolarHBondContact O-N 2.83Å
176A96.5Very high97.3Very high0 Ų049.6 Ų49.60%024%0.243CC..THydrogen-bonded Turntrans-82.8-5.8176.300000113.4I147 L171 L174 N178 D179 F249 I251I147-A176 HydrophobicContact CD1-CB 4.49Å; L171-A176 HydrophobicContact CD2-CB 4.18Å; L171-A176 PolarHBondContact O-N 2.88Å; L174-A176 PolarHBondContact O-N 2.86Å; A176-N178 VanDerWaalsContact C-N 3.3Å; A176-N178 PolarHBondContact O-N 3.23Å; A176-D179 PolarHBondContact O-N 3.13Å; A176-F249 HydrophobicContact CB-CE1 4.05Å; A176-I251 HydrophobicContact CB-CD1 4.36Å
177W97.4Very high97.4Very high43 Ų4350.6 Ų50.616%0.16325%0.248CC..Hα-helixtrans-66.3-27.9-174.7-170-109.7000114V168 L171 K172 K175 D179 I180 K181 I224V168-W177 HydrophobicContact CB-CH2 4.38Å; V168-W177 HydrophobicContact CB-CZ3 4.17Å; V168-W177 HydrophobicContact CG1-CE3 4.26Å; V168-W177 HydrophobicContact CG1-CH2 3.65Å; V168-W177 HydrophobicContact CG1-CZ2 4.2Å; V168-W177 HydrophobicContact CG1-CZ3 3.68Å; V168-W177 HydrophobicContact CG2-CH2 3.94Å; V168-W177 HydrophobicContact CG2-CZ3 3.9Å; L171-W177 HydrophobicContact CB-CE3 4.08Å; L171-W177 PolarHBondContact O-N 3.46Å; L171-W177 VanDerWaalsContact O-N 3.13Å; K172-W177 HydrophobicContact CG-CB 3.9Å; K172-W177 HydrophobicContact CG-CD2 3.94Å; K172-W177 HydrophobicContact CG-CE3 4.35Å; K172-W177 HydrophobicContact CG-CG 3.7Å; K175-W177 VanDerWaalsContact C-N 3.31Å; K175-W177 PolarHBondContact O-N 2.83Å; W177-D179 VanDerWaalsContact C-N 3.25Å; W177-D179 PolarHBondContact O-N 2.96Å; W177-I180 HydrophobicContact CD2-CB 4.47Å; W177-I180 HydrophobicContact CE3-CB 4.16Å; W177-I180 HydrophobicContact CE3-CD1 3.65Å; W177-I180 HydrophobicContact CE3-CG2 4.23Å; W177-I180 HydrophobicContact CH2-CG2 4.06Å; W177-I180 HydrophobicContact CZ2-CG2 4.49Å; W177-I180 HydrophobicContact CZ3-CB 4.34Å; W177-I180 HydrophobicContact CZ3-CD1 3.81Å; W177-I180 HydrophobicContact CZ3-CG2 3.92Å; W177-I180 WeakPolarHBondContact O-CA 3.48Å; W177-I180 WeakPolarHBondContact O-CB 3.35Å; W177-I180 PolarHBondContact O-N 3.41Å; W177-K181 PolarHBondContact O-N 3.28Å; W177-I224 HydrophobicContact CZ3-CG2 4.5Å
178N97.2Very high97.4Very high47 Ų4759 Ų5925%0.25128%0.279SS..Hα-helixtrans-63.3-32177.5-71.8-23.5000112.2R143 E146 A176 I180 K181 K182R143-N178 HydrophobicContact CB-CB 4.24Å; E146-N178 PolarHBondContact OE1-ND2 2.8Å; E146-N178 PolarHBondContact OE2-ND2 2.99Å; A176-N178 VanDerWaalsContact C-N 3.3Å; A176-N178 PolarHBondContact O-N 3.23Å; N178-I180 VanDerWaalsContact C-N 3.3Å; N178-I180 PolarHBondContact O-N 2.81Å; N178-K181 PolarHBondContact O-N 2.89Å; N178-K182 PolarHBondContact O-N 2.86Å; N178-K182 VanDerWaalsContact O-N 3.08Å
179D97.5Very high97.4Very high4 Ų461.8 Ų61.82%0.02129%0.292CS..Hα-helixtrans-67.4-32.8173.4-161.643.4000111.8H142 R143 A176 W177 K182 V183 P207H142-D179 WeakPolarHBondContact CA-OD1 3.31Å; H142-D179 IonicContact CE1-OD2 2.76Å; H142-D179 IonicContact CG-OD1 2.74Å; H142-D179 IonicContact CG-OD2 3.4Å; H142-D179 IonicContact ND1-OD1 3.98Å; H142-D179 PolarHBondContact ND1-OD1 3.43Å; H142-D179 IonicContact ND1-OD2 3.81Å; H142-D179 PolarHBondContact ND1-OD2 3.17Å; R143-D179 HydrophobicContact CB-CB 4.33Å; R143-D179 PolarHBondContact N-OD1 3.48Å; R143-D179 VanDerWaalsContact N-OD1 3.13Å; A176-D179 PolarHBondContact O-N 3.13Å; W177-D179 VanDerWaalsContact C-N 3.25Å; W177-D179 PolarHBondContact O-N 2.96Å; D179-K182 WeakPolarHBondContact O-CB 3.42Å; D179-K182 PolarHBondContact O-N 3.2Å; D179-V183 PolarHBondContact O-N 3.08Å; D179-P207 HydrophobicContact CB-CG 4.39Å; D179-P207 VanDerWaalsContact OD2-CD 3.26Å; D179-P207 WeakPolarHBondContact OD2-CD 3.5Å
180I97.9Very high97.4Very high0 Ų061.8 Ų61.80%029%0.285CS..Hα-helixtrans-76.1-41.2176.5-64.1165.6000111L171 W177 N178 K182 V183 Y184 P207 I224 I227L171-I180 HydrophobicContact CB-CD1 4.23Å; L171-I180 HydrophobicContact CD1-CD1 3.6Å; L171-I180 HydrophobicContact CD2-CD1 4.33Å; L171-I180 HydrophobicContact CG-CD1 4.27Å; W177-I180 HydrophobicContact CD2-CB 4.47Å; W177-I180 HydrophobicContact CE3-CB 4.16Å; W177-I180 HydrophobicContact CE3-CD1 3.65Å; W177-I180 HydrophobicContact CE3-CG2 4.23Å; W177-I180 HydrophobicContact CH2-CG2 4.06Å; W177-I180 HydrophobicContact CZ2-CG2 4.49Å; W177-I180 HydrophobicContact CZ3-CB 4.34Å; W177-I180 HydrophobicContact CZ3-CD1 3.81Å; W177-I180 HydrophobicContact CZ3-CG2 3.92Å; W177-I180 WeakPolarHBondContact O-CA 3.48Å; W177-I180 WeakPolarHBondContact O-CB 3.35Å; W177-I180 PolarHBondContact O-N 3.41Å; N178-I180 VanDerWaalsContact C-N 3.3Å; N178-I180 PolarHBondContact O-N 2.81Å; I180-K182 PolarHBondContact O-N 2.9Å; I180-V183 WeakPolarHBondContact O-CA 2.98Å; I180-V183 VanDerWaalsContact O-CB 3.29Å; I180-V183 WeakPolarHBondContact O-CB 3.33Å; I180-V183 PolarHBondContact O-N 3.19Å; I180-Y184 HydrophobicContact CG2-CD2 3.92Å; I180-Y184 HydrophobicContact CG2-CE2 3.63Å; I180-Y184 WeakPolarHBondContact O-CD2 3.3Å; I180-Y184 PolarHBondContact O-N 2.7Å; I180-P207 HydrophobicContact CG1-CG 4.49Å; I180-I224 HydrophobicContact CD1-CG2 4.25Å; I180-I224 HydrophobicContact CG2-CG2 4.06Å; I180-I227 HydrophobicContact CD1-CD1 4.06Å; I180-I227 HydrophobicContact CD1-CG1 4.43Å
181K97.9Very high97.5Very high117 Ų11765.9 Ų65.951%0.50932%0.32SS..Hα-helixtrans-53.5-40.2170.1-74.3178.3173.4170.10111.1W177 N178 V183 Y184 A185W177-K181 PolarHBondContact O-N 3.28Å; N178-K181 PolarHBondContact O-N 2.89Å; K181-V183 VanDerWaalsContact C-N 3.3Å; K181-V183 PolarHBondContact O-N 2.94Å; K181-Y184 PolarHBondContact O-N 3.31Å; K181-A185 PolarHBondContact O-N 3.16Å
182K97.9Very high97.5Very high50 Ų5068.4 Ų68.422%0.21735%0.345CS..Hα-helixtrans-64-32174.2-172.3174.7-173.5170.60113.1G141 R143 N178 D179 I180 S186G141-K182 WeakPolarHBondContact O-CE 3.39Å; G141-K182 PolarHBondContact O-NZ 3Å; R143-K182 HydrophobicContact CG-CD 3.91Å; N178-K182 PolarHBondContact O-N 2.86Å; N178-K182 VanDerWaalsContact O-N 3.08Å; D179-K182 WeakPolarHBondContact O-CB 3.42Å; D179-K182 PolarHBondContact O-N 3.2Å; I180-K182 PolarHBondContact O-N 2.9Å; K182-S186 WeakPolarHBondContact O-CB 3.38Å; K182-S186 PolarHBondContact O-N 3.44Å; K182-S186 PolarHBondContact O-OG 3.25Å
183V98.4Very high97.5Very high1 Ų170.6 Ų70.61%0.00636%0.355CS..Hα-helixtrans-65.4-50.9171.3177.10000110.3D179 I180 K181 A185 S186 Q187 Q203 R204 P225D179-V183 PolarHBondContact O-N 3.08Å; I180-V183 WeakPolarHBondContact O-CA 2.98Å; I180-V183 VanDerWaalsContact O-CB 3.29Å; I180-V183 WeakPolarHBondContact O-CB 3.33Å; I180-V183 PolarHBondContact O-N 3.19Å; K181-V183 VanDerWaalsContact C-N 3.3Å; K181-V183 PolarHBondContact O-N 2.94Å; V183-A185 PolarHBondContact O-N 2.83Å; V183-S186 PolarHBondContact O-N 3.26Å; V183-S186 PolarHBondContact O-OG 3.03Å; V183-Q187 PolarHBondContact O-N 3.19Å; V183-Q203 HydrophobicContact CG1-CB 4.25Å; V183-Q203 HydrophobicContact CG1-CG 4.31Å; V183-R204 HydrophobicContact CG2-CB 4.2Å; V183-P225 HydrophobicContact CG1-CB 4.15Å
184Y98.3Very high97.5Very high109 Ų10965.8 Ų65.843%0.42734%0.338SS..Hα-helixtrans-54.5-50.7177.5-78.4-76.6000111.9I180 K181 S186 Q187 P225I180-Y184 HydrophobicContact CG2-CD2 3.92Å; I180-Y184 HydrophobicContact CG2-CE2 3.63Å; I180-Y184 WeakPolarHBondContact O-CD2 3.3Å; I180-Y184 PolarHBondContact O-N 2.7Å; K181-Y184 PolarHBondContact O-N 3.31Å; Y184-S186 PolarHBondContact O-N 2.73Å; Y184-S186 VanDerWaalsContact O-N 3.11Å; Y184-Q187 WeakPolarHBondContact O-CB 3.17Å; Y184-Q187 PolarHBondContact O-N 3.43Å; Y184-Q187 VanDerWaalsContact O-N 3.15Å; Y184-P225 HydrophobicContact CD1-CG 4.12Å; Y184-P225 HydrophobicContact CD2-CG 4.27Å; Y184-P225 HydrophobicContact CE1-CG 3.54Å; Y184-P225 HydrophobicContact CE2-CG 3.69Å; Y184-P225 HydrophobicContact CG-CG 4.46Å; Y184-P225 VanDerWaalsContact OH-CD 3.29Å; Y184-P225 WeakPolarHBondContact OH-CD 3.41Å; Y184-P225 WeakPolarHBondContact OH-CG 3.26Å
185A98.3Very high97.6Very high91 Ų9170.4 Ų70.475%0.75236%0.358SS*.Hα-helixtrans-61.8-22178.600000113.9K181 V183K181-A185 PolarHBondContact O-N 3.16Å; V183-A185 PolarHBondContact O-N 2.83Å
186S98.1Very high97.7Very high25 Ų2571.7 Ų71.718%0.17537%0.367CS..THydrogen-bonded Turntrans-90.9-4.4-178.975.20000114.6K182 V183 Y184 R188 R204K182-S186 WeakPolarHBondContact O-CB 3.38Å; K182-S186 PolarHBondContact O-N 3.44Å; K182-S186 PolarHBondContact O-OG 3.25Å; V183-S186 PolarHBondContact O-N 3.26Å; V183-S186 PolarHBondContact O-OG 3.03Å; Y184-S186 PolarHBondContact O-N 2.73Å; Y184-S186 VanDerWaalsContact O-N 3.11Å; S186-R188 PolarHBondContact O-N 3.17Å; S186-R204 WeakPolarHBondContact OG-CB 3.07Å; S186-R204 WeakPolarHBondContact OG-CG 3.47Å; S186-R204 PolarHBondContact OG-N 3.48Å
187Q97.8Very high97.7Very high97 Ų9779 Ų7945%0.45340%0.395SS..  trans-66.3115.5-178.9-70.4-178.3-8.600109.8V183 Y184 Q203V183-Q187 PolarHBondContact O-N 3.19Å; Y184-Q187 WeakPolarHBondContact O-CB 3.17Å; Y184-Q187 PolarHBondContact O-N 3.43Å; Y184-Q187 VanDerWaalsContact O-N 3.15Å; Q187-Q203 HydrophobicContact CG-CB 3.87Å
188R97.8Very high97.7Very high175 Ų17584.8 Ų84.866%0.6643%0.429SS*.EExtended strand (participates in β ladder)trans-146.4163.7-179.967-178.5-178.3173.11.7112.4S186 I202S186-R188 PolarHBondContact O-N 3.17Å; R188-I202 HydrophobicContact CG-CD1 4.06Å; R188-I202 HydrophobicContact CG-CG1 3.78Å; R188-I202 PolarHBondContact N-O 2.87Å; R188-I202 WeakPolarHBondContact O-CG1 3.41Å; R188-I202 PolarHBondContact O-N 3.18Å
189M97.8Very high97.7Very high92 Ų9288.7 Ų88.745%0.45344%0.44SS..EExtended strand (participates in β ladder)trans-71.7138.4174.7-65.8-66.6-77.200110.7A191 K195 R200 R201M189-A191 PolarHBondContact O-N 3.17Å; M189-K195 HydrophobicContact CE-CD 4.04Å; M189-R200 HydrophobicContact CE-CG 3.33Å; M189-R200 HydrophobicContact SD-CG 3.84Å; M189-R201 HydrophobicContact SD-CG 4Å
190R98Very high97.7Very high99 Ų9995.4 Ų95.437%0.37447%0.465SS..PPolyproline II helixtrans-71.3129.5176.4-173.2-179.8-73.3-94.53.4110K195 R199 R200 I202R190-K195 WeakPolarHBondContact O-CD 3.28Å; R190-K195 VanDerWaalsContact O-CG 3.23Å; R190-K195 WeakPolarHBondContact O-CG 3.36Å; R190-R199 WeakPolarHBondContact CB-O 3.43Å; R190-R199 VanDerWaalsContact CD-O 3.23Å; R190-R199 WeakPolarHBondContact CD-O 3.43Å; R190-R199 PolarHBondContact NE-O 3.21Å; R190-R199 VanDerWaalsContact NE-O 3.15Å; R190-R200 PolarHBondContact N-O 2.8Å; R190-I202 HydrophobicContact CB-CG2 4.14Å; R190-I202 HydrophobicContact CG-CG2 4.31Å
191A97.8Very high97.7Very high92 Ų92104.5 Ų104.576%0.7650%0.5SS*.PPolyproline II helixtrans-67.5146.6171.200000112M189M189-A191 PolarHBondContact O-N 3.17Å
192G97.1Very high97.7Very high53 Ų53101.1 Ų101.155%0.54649%0.487SS..SBendtrans81.1-165.7175.900000115.9G194G192-G194 PolarHBondContact O-N 3.35Å
193K97.1Very high97.7Very high160 Ų160103 Ų10370%0.69650%0.496SS*.G310 helixtrans-71.15-173.9-56.9-67-175.1177.40114.4K195 M196K193-K195 PolarHBondContact O-N 2.92Å; K193-M196 HydrophobicContact CB-SD 4.33Å; K193-M196 HydrophobicContact CD-SD 4.26Å; K193-M196 WeakPolarHBondContact O-CG 3.29Å
194G97.3Very high97.6Very high13 Ų13108.9 Ų108.913%0.13452%0.518CS..G310 helixtrans-65.5-26.9174.100000113G192 M196 R197 R199G192-G194 PolarHBondContact O-N 3.35Å; G194-M196 VanDerWaalsContact C-N 3.32Å; G194-M196 PolarHBondContact O-N 3.01Å; G194-R197 PolarHBondContact O-N 3.47Å; G194-R199 CarbonylContact O-C 3.5Å; G194-R199 PolarHBondContact O-N 3.02Å
195K97.4Very high97.6Very high99 Ų99109.7 Ų109.743%0.4352%0.524SS..G310 helixtrans-61.9-35.3-178.3-65-174.3-72.7177.90113.7M189 R190 K193 R197M189-K195 HydrophobicContact CE-CD 4.04Å; R190-K195 WeakPolarHBondContact O-CD 3.28Å; R190-K195 VanDerWaalsContact O-CG 3.23Å; R190-K195 WeakPolarHBondContact O-CG 3.36Å; K193-K195 PolarHBondContact O-N 2.92Å; K195-R197 VanDerWaalsContact C-N 3.34Å
196M97.7Very high97.6Very high138 Ų138105.4 Ų105.468%0.6849%0.488SS*.G310 helixtrans-82.4-7176.264.6176-67.500113.6K193 G194K193-M196 HydrophobicContact CB-SD 4.33Å; K193-M196 HydrophobicContact CD-SD 4.26Å; K193-M196 WeakPolarHBondContact O-CG 3.29Å; G194-M196 VanDerWaalsContact C-N 3.32Å; G194-M196 PolarHBondContact O-N 3.01Å
197R97.1Very high97.5Very high153 Ų153104.2 Ų104.258%0.57748%0.48SS*.THydrogen-bonded Turntrans-114.241.3-175.3-57.3-177.2-176.61720.5111.8G194 K195 R199G194-R197 PolarHBondContact O-N 3.47Å; K195-R197 VanDerWaalsContact C-N 3.34Å; R197-R199 VanDerWaalsContact CD-NH2 3.33Å; R197-R199 WeakPolarHBondContact O-CG 3.1Å; R197-R199 PolarHBondContact O-N 3.36Å
198N97.7Very high97.6Very high166 Ų16699.6 Ų99.689%0.88846%0.458SS*.THydrogen-bonded Turntrans5428-179.7-59.4-22.4000114.9
199R97.5Very high97.6Very high129 Ų12991.5 Ų91.549%0.48743%0.428SS..  trans-127.342.7179.4-67.7178.6-67.9-123.10.7111.4R190 G194 R197R190-R199 WeakPolarHBondContact CB-O 3.43Å; R190-R199 VanDerWaalsContact CD-O 3.23Å; R190-R199 WeakPolarHBondContact CD-O 3.43Å; R190-R199 PolarHBondContact NE-O 3.21Å; R190-R199 VanDerWaalsContact NE-O 3.15Å; G194-R199 CarbonylContact O-C 3.5Å; G194-R199 PolarHBondContact O-N 3.02Å; R197-R199 VanDerWaalsContact CD-NH2 3.33Å; R197-R199 WeakPolarHBondContact O-CG 3.1Å; R197-R199 PolarHBondContact O-N 3.36Å
200R97.3Very high97.6Very high145 Ų14587.1 Ų87.155%0.54741%0.407SS..  trans-65.2-45.1-169.7-175.4174.3-72.6-168.71.5114M189 R190M189-R200 HydrophobicContact CE-CG 3.33Å; M189-R200 HydrophobicContact SD-CG 3.84Å; R190-R200 PolarHBondContact N-O 2.8Å
201R97.5Very high97.6Very high190 Ų19083.6 Ų83.672%0.71739%0.394SS*.EExtended strand (participates in β ladder)trans-107.6149.3-177.4-68.9179.7168.993-0.2111.8M189M189-R201 HydrophobicContact SD-CG 4Å
202I97.7Very high97.6Very high47 Ų4780.4 Ų80.424%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-131.3150.3170.656.6171.5000110R188 R190R188-I202 HydrophobicContact CG-CD1 4.06Å; R188-I202 HydrophobicContact CG-CG1 3.78Å; R188-I202 PolarHBondContact N-O 2.87Å; R188-I202 WeakPolarHBondContact O-CG1 3.41Å; R188-I202 PolarHBondContact O-N 3.18Å; R190-I202 HydrophobicContact CB-CG2 4.14Å; R190-I202 HydrophobicContact CG-CG2 4.31Å
203Q97.8Very high97.5Very high89 Ų8984.2 Ų84.242%0.41637%0.367SS..  trans-151.8161.2177.766-176.1200110V183 Q187V183-Q203 HydrophobicContact CG1-CB 4.25Å; V183-Q203 HydrophobicContact CG1-CG 4.31Å; Q187-Q203 HydrophobicContact CG-CB 3.87Å
204R97.8Very high97.4Very high124 Ų12480.4 Ų80.447%0.46835%0.354SS..  trans-64.3157.7173.6-76.6177.5173.7-84.9-2.4111.8V183 S186V183-R204 HydrophobicContact CG2-CB 4.2Å; S186-R204 WeakPolarHBondContact OG-CB 3.07Å; S186-R204 WeakPolarHBondContact OG-CG 3.47Å; S186-R204 PolarHBondContact OG-N 3.48Å
205K97.8Very high97.3Very high127 Ų12782.7 Ų82.755%0.55237%0.372SS*.  trans-91124.9167.2-64.2-63.4-175.1178.40107.4
206G97.1Very high97.2Very high0 Ų078.7 Ų78.70%036%0.359CS..  trans-93.2-151.7176.400000111.6G226 R248G206-G226 WeakPolarHBondContact CA-O 3.34Å; G206-G226 PolarHBondContact N-O 3.27Å; G206-R248 PolarHBondContact O-NE 2.73Å; G206-R248 VanDerWaalsContact O-NE 3.17Å; G206-R248 PolarHBondContact O-NH2 3.3Å
207P97.5Very high97.1Very high0 Ų072.1 Ų72.10%033%0.326CS..  trans-59.2149.7-177.2-20.731.3000112.7D179 I180 I227 T228 R248 F249 I251D179-P207 HydrophobicContact CB-CG 4.39Å; D179-P207 VanDerWaalsContact OD2-CD 3.26Å; D179-P207 WeakPolarHBondContact OD2-CD 3.5Å; I180-P207 HydrophobicContact CG1-CG 4.49Å; P207-I227 WeakPolarHBondContact O-CA 3.41Å; P207-T228 PolarHBondContact O-N 3.41Å; P207-R248 PolarHBondContact O-NH2 2.78Å; P207-F249 HydrophobicContact CB-CD1 3.71Å; P207-F249 HydrophobicContact CB-CE1 3.97Å; P207-F249 HydrophobicContact CG-CD1 3.82Å; P207-F249 HydrophobicContact CG-CE1 4.04Å; P207-I251 HydrophobicContact CB-CD1 4.05Å; P207-I251 HydrophobicContact CB-CG1 4.39Å
208C98.1Very high97Very high0 Ų066.3 Ų66.30%031%0.308CS..EExtended strand (participates in β ladder)trans-104.2118.9170-168.60000109.4T228 F249 C250 I251C208-T228 CarbonylContact C-O 3.6Å; C208-T228 WeakPolarHBondContact CA-O 3.41Å; C208-T228 PolarHBondContact SG-OG1 2.88Å; C208-F249 PolarHBondContact N-O 3.25Å; C208-C250 CarbonylContact O-C 3.54Å; C208-C250 VanDerWaalsContact O-CA 3.23Å; C208-C250 WeakPolarHBondContact O-CA 3.46Å; C208-I251 PolarHBondContact O-N 2.89Å
209I98Very high97Very high5 Ų565.2 Ų65.23%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-95.1124.4177-59.5174.8000108L217 F221 I227 T228 L229 Q230 I251I209-L217 HydrophobicContact CG2-CD1 4.39Å; I209-L217 HydrophobicContact CG2-CD2 4.35Å; I209-F221 HydrophobicContact CD1-CB 4.36Å; I209-F221 HydrophobicContact CD1-CD1 3.15Å; I209-F221 HydrophobicContact CD1-CD2 4.34Å; I209-F221 HydrophobicContact CD1-CE1 3.31Å; I209-F221 HydrophobicContact CD1-CE2 4.46Å; I209-F221 HydrophobicContact CD1-CG 3.71Å; I209-F221 HydrophobicContact CD1-CZ 3.99Å; I209-I227 HydrophobicContact CD1-CD1 4.36Å; I209-I227 HydrophobicContact CD1-CG2 3.78Å; I209-I227 HydrophobicContact CG1-CG2 4.1Å; I209-T228 PolarHBondContact N-O 3.27Å; I209-L229 HydrophobicContact CB-CD2 3.95Å; I209-L229 HydrophobicContact CD1-CD2 4.39Å; I209-L229 HydrophobicContact CG2-CD2 4.33Å; I209-L229 CarbonylContact O-C 2.98Å; I209-L229 WeakPolarHBondContact O-CA 3.27Å; I209-Q230 PolarHBondContact O-N 3.2Å; I209-I251 CarbonylContact C-O 3.45Å; I209-I251 WeakPolarHBondContact CA-O 3.43Å; I209-I251 HydrophobicContact CG1-CB 4.42Å
210V98.4Very high97Very high0 Ų059 Ų590%027%0.272CS..EExtended strand (participates in β ladder)trans-112.2124.5178.5-1700000109.3Q230 V232 L235 I251 W252 T253 A256V210-Q230 VanDerWaalsContact CA-O 3.29Å; V210-Q230 WeakPolarHBondContact CA-O 3.48Å; V210-Q230 HydrophobicContact CG2-CB 4.47Å; V210-V232 HydrophobicContact CG1-CB 4.09Å; V210-L235 HydrophobicContact CG1-CD2 4Å; V210-L235 HydrophobicContact CG2-CD2 4.47Å; V210-I251 PolarHBondContact N-O 3.26Å; V210-W252 HydrophobicContact CB-CD2 4.01Å; V210-W252 HydrophobicContact CB-CE3 3.57Å; V210-W252 HydrophobicContact CB-CH2 4.18Å; V210-W252 HydrophobicContact CB-CZ3 3.68Å; V210-W252 HydrophobicContact CG1-CE3 3.63Å; V210-W252 HydrophobicContact CG1-CH2 4Å; V210-W252 HydrophobicContact CG1-CZ3 3.33Å; V210-W252 HydrophobicContact CG2-CD2 4.3Å; V210-W252 HydrophobicContact CG2-CE3 4.15Å; V210-W252 HydrophobicContact CG2-CH2 3.97Å; V210-W252 HydrophobicContact CG2-CZ2 4.13Å; V210-W252 HydrophobicContact CG2-CZ3 4.01Å; V210-T253 PolarHBondContact O-N 3.13Å; V210-A256 HydrophobicContact CG1-CB 4.46Å
211Y98Very high97Very high26 Ų2652.2 Ų52.210%0.10225%0.246CC..EExtended strand (participates in β ladder)trans-127.9161.4-175.464.6-87.9000110.8Q213 D214 L217 T218 L229 Q230 N231 V232 T253Y211-Q213 VanDerWaalsContact CD2-O 3.26Å; Y211-Q213 WeakPolarHBondContact CD2-O 3.19Å; Y211-D214 HydrophobicContact CE2-CB 3.84Å; Y211-L217 HydrophobicContact CD1-CD2 3.58Å; Y211-L217 HydrophobicContact CE1-CD2 4.11Å; Y211-L217 HydrophobicContact CG-CD1 4.5Å; Y211-L217 HydrophobicContact CG-CD2 3.93Å; Y211-T218 HydrophobicContact CE1-CG2 4.12Å; Y211-T218 WeakPolarHBondContact OH-CG2 3.24Å; Y211-L229 HydrophobicContact CE1-CB 4.07Å; Y211-Q230 WeakPolarHBondContact CD1-O 3.34Å; Y211-Q230 VanDerWaalsContact CE1-C 3.44Å; Y211-Q230 WeakPolarHBondContact CE1-O 3.16Å; Y211-Q230 PolarHBondContact N-O 3.34Å; Y211-N231 HydrophobicContact CE2-CB 4.15Å; Y211-N231 CarbonylContact O-C 3.49Å; Y211-N231 WeakPolarHBondContact O-CA 3.39Å; Y211-V232 PolarHBondContact O-N 3.45Å; Y211-T253 WeakPolarHBondContact CA-OG1 3.36Å
212N97.6Very high96.9Very high24 Ų2452.3 Ų52.313%0.12825%0.247CC..SBendtrans-93.1-54.7178-174.822.4000110.8E159 N231 V232 S255 A256 K259E159-N212 PolarHBondContact OE1-N 3.39Å; N212-N231 PolarHBondContact O-ND2 2.9Å; N212-V232 HydrophobicContact CB-CG1 4.37Å; N212-S255 VanDerWaalsContact CB-OG 3.28Å; N212-S255 WeakPolarHBondContact CB-OG 3.43Å; N212-A256 HydrophobicContact CB-CB 4.28Å; N212-K259 VanDerWaalsContact OD1-CD 3.22Å; N212-K259 WeakPolarHBondContact OD1-CD 3.48Å; N212-K259 PolarHBondContact OD1-NZ 2.93Å
213Q95.9Very high96.9Very high133 Ų13356.1 Ų56.162%0.62127%0.268SS*.SBendtrans-119.6148.9179.8-60.5-1753.900111.3E159 Y211E159-Q213 PolarHBondContact OE2-N 3.42Å; E159-Q213 VanDerWaalsContact OE2-N 3.1Å; Y211-Q213 VanDerWaalsContact CD2-O 3.26Å; Y211-Q213 WeakPolarHBondContact CD2-O 3.19Å
214D95.1Very high96.9Very high80 Ų8052.2 Ų52.243%0.42825%0.25SC..  trans-100.491.3177.4-170.914.2000110.2Y211 G216 L217 T218Y211-D214 HydrophobicContact CE2-CB 3.84Å; D214-G216 PolarHBondContact OD1-N 3.13Å; D214-L217 PolarHBondContact OD1-N 3.09Å; D214-T218 HydrophobicContact CB-CG2 4.43Å; D214-T218 VanDerWaalsContact CG-CG2 3.45Å; D214-T218 VanDerWaalsContact CG-OG1 3.26Å; D214-T218 PolarHBondContact OD1-N 3.33Å; D214-T218 VanDerWaalsContact OD1-N 3.07Å; D214-T218 PolarHBondContact OD1-OG1 3.33Å; D214-T218 WeakPolarHBondContact OD2-CB 3.34Å; D214-T218 WeakPolarHBondContact OD2-CG2 3.48Å; D214-T218 PolarHBondContact OD2-OG1 2.79Å
215A95Very high96.9Very high62 Ų6247.3 Ų47.351%0.51223%0.234SC..SBendtrans-96.815.1175.700000113.1E159E159-A215 CarbonylContact O-C 3.59Å; E159-A215 WeakPolarHBondContact O-CB 3.42Å
216G94.5Very high96.8Very high14 Ų1441.6 Ų41.614%0.14421%0.211CC..SBendtrans133.5-19.4-176.300000113.5E159 Y161 D214 T218 K219 A220E159-G216 PolarHBondContact O-N 3.47Å; Y161-G216 CarbonylContact O-C 3.55Å; Y161-G216 VanDerWaalsContact O-O 3.05Å; D214-G216 PolarHBondContact OD1-N 3.13Å; G216-T218 VanDerWaalsContact C-N 3.25Å; G216-T218 PolarHBondContact O-N 3.07Å; G216-T218 VanDerWaalsContact O-N 3.16Å; G216-K219 WeakPolarHBondContact O-CB 3.09Å; G216-K219 PolarHBondContact O-N 3.06Å; G216-A220 PolarHBondContact O-N 3.42Å; G216-A220 VanDerWaalsContact O-N 3.09Å
217L95.4Very high96.9Very high0 Ų042.7 Ų42.70%022%0.216CC..Hα-helixtrans-49.7-41.9-179.4-178.3151000112.9V158 E159 Y161 I209 Y211 D214 K219 A220 F221 L229 T253V158-L217 HydrophobicContact CG1-CD1 4.11Å; E159-L217 HydrophobicContact CB-CD1 4.47Å; E159-L217 HydrophobicContact CG-CD1 4.17Å; E159-L217 WeakPolarHBondContact O-CB 3.4Å; E159-L217 PolarHBondContact O-N 3.28Å; E159-L217 VanDerWaalsContact O-N 3.16Å; Y161-L217 PolarHBondContact O-N 3.16Å; I209-L217 HydrophobicContact CG2-CD1 4.39Å; I209-L217 HydrophobicContact CG2-CD2 4.35Å; Y211-L217 HydrophobicContact CD1-CD2 3.58Å; Y211-L217 HydrophobicContact CE1-CD2 4.11Å; Y211-L217 HydrophobicContact CG-CD1 4.5Å; Y211-L217 HydrophobicContact CG-CD2 3.93Å; D214-L217 PolarHBondContact OD1-N 3.09Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 3.47Å; L217-A220 PolarHBondContact O-N 3.21Å; L217-F221 HydrophobicContact CD1-CE2 4.37Å; L217-F221 HydrophobicContact CD2-CD2 4.24Å; L217-F221 HydrophobicContact CG-CD2 3.77Å; L217-F221 HydrophobicContact CG-CE2 3.95Å; L217-F221 WeakPolarHBondContact O-CD2 3.47Å; L217-F221 PolarHBondContact O-N 3.39Å; L217-L229 HydrophobicContact CD2-CD2 3.62Å; L217-T253 HydrophobicContact CD1-CG2 4.42Å
218T96.1Very high96.9Very high32 Ų3243.6 Ų43.620%0.19622%0.222CC..Hα-helixtrans-63.2-39.5-179.658.90000112.7Y211 D214 G216 R222 L229Y211-T218 HydrophobicContact CE1-CG2 4.12Å; Y211-T218 WeakPolarHBondContact OH-CG2 3.24Å; D214-T218 HydrophobicContact CB-CG2 4.43Å; D214-T218 VanDerWaalsContact CG-CG2 3.45Å; D214-T218 VanDerWaalsContact CG-OG1 3.26Å; D214-T218 PolarHBondContact OD1-N 3.33Å; D214-T218 VanDerWaalsContact OD1-N 3.07Å; D214-T218 PolarHBondContact OD1-OG1 3.33Å; D214-T218 WeakPolarHBondContact OD2-CB 3.34Å; D214-T218 WeakPolarHBondContact OD2-CG2 3.48Å; D214-T218 PolarHBondContact OD2-OG1 2.79Å; G216-T218 VanDerWaalsContact C-N 3.25Å; G216-T218 PolarHBondContact O-N 3.07Å; G216-T218 VanDerWaalsContact O-N 3.16Å; T218-R222 WeakPolarHBondContact O-CB 3.45Å; T218-R222 WeakPolarHBondContact O-CG 3.43Å; T218-R222 PolarHBondContact O-N 3.35Å; T218-L229 HydrophobicContact CG2-CD1 4.26Å
219K96.5Very high96.9Very high142 Ų14244.7 Ų44.762%0.61723%0.228SC*.Hα-helixtrans-69.2-39.1177.7-66.1179.2-178.1175.20111.3G216 L217G216-K219 WeakPolarHBondContact O-CB 3.09Å; G216-K219 PolarHBondContact O-N 3.06Å; L217-K219 VanDerWaalsContact C-N 3.31Å; L217-K219 PolarHBondContact O-N 3.47Å
220A97.4Very high96.9Very high0 Ų044.8 Ų44.80%023%0.228CC..Hα-helixtrans-67.1-40.3179.500000113.1Y161 T164 A167 G216 L217Y161-A220 WeakPolarHBondContact O-CB 3.38Å; T164-A220 WeakPolarHBondContact CA-O 3.34Å; T164-A220 PolarHBondContact OG1-O 3.11Å; A167-A220 HydrophobicContact CB-CB 4.35Å; G216-A220 PolarHBondContact O-N 3.42Å; G216-A220 VanDerWaalsContact O-N 3.09Å; L217-A220 PolarHBondContact O-N 3.21Å
221F97.7Very high96.8Very high1 Ų146.6 Ų46.60%0.00424%0.238CC..Hα-helixtrans-96.1-21.8-173.7-73.9-89.1000114.9V158 Y161 A167 L170 L171 I209 L217 N223 I224 I227 L229V158-F221 HydrophobicContact CG1-CE2 4.01Å; V158-F221 HydrophobicContact CG1-CZ 4Å; Y161-F221 HydrophobicContact CD2-CE2 4.28Å; Y161-F221 HydrophobicContact CD2-CZ 4.38Å; A167-F221 HydrophobicContact CB-CD1 3.74Å; A167-F221 HydrophobicContact CB-CD2 4.08Å; A167-F221 HydrophobicContact CB-CE1 3.52Å; A167-F221 HydrophobicContact CB-CE2 3.89Å; A167-F221 HydrophobicContact CB-CG 4.03Å; A167-F221 HydrophobicContact CB-CZ 3.61Å; L170-F221 HydrophobicContact CD2-CZ 3.94Å; L171-F221 HydrophobicContact CD1-CD1 4.23Å; L171-F221 HydrophobicContact CD1-CE1 3.91Å; L171-F221 HydrophobicContact CG-CE1 4.25Å; I209-F221 HydrophobicContact CD1-CB 4.36Å; I209-F221 HydrophobicContact CD1-CD1 3.15Å; I209-F221 HydrophobicContact CD1-CD2 4.34Å; I209-F221 HydrophobicContact CD1-CE1 3.31Å; I209-F221 HydrophobicContact CD1-CE2 4.46Å; I209-F221 HydrophobicContact CD1-CG 3.71Å; I209-F221 HydrophobicContact CD1-CZ 3.99Å; L217-F221 HydrophobicContact CD1-CE2 4.37Å; L217-F221 HydrophobicContact CD2-CD2 4.24Å; L217-F221 HydrophobicContact CG-CD2 3.77Å; L217-F221 HydrophobicContact CG-CE2 3.95Å; L217-F221 WeakPolarHBondContact O-CD2 3.47Å; L217-F221 PolarHBondContact O-N 3.39Å; F221-N223 PolarHBondContact O-N 3.21Å; F221-N223 VanDerWaalsContact O-N 3.09Å; F221-I224 HydrophobicContact CD1-CD1 4.21Å; F221-I224 PolarHBondContact O-N 2.73Å; F221-I224 VanDerWaalsContact O-N 3.13Å; F221-I227 HydrophobicContact CB-CG2 4.43Å; F221-I227 HydrophobicContact CD1-CD1 4.03Å; F221-L229 HydrophobicContact CB-CD1 4.22Å; F221-L229 HydrophobicContact CB-CD2 3.63Å; F221-L229 HydrophobicContact CB-CG 4.37Å; F221-L229 HydrophobicContact CG-CD2 4.29Å
222R96.4Very high96.8Very high193 Ų19345.4 Ų45.473%0.72823%0.233SC*.THydrogen-bonded Turntrans-59.8-26.2-172.967.9-178.2-173.2174.43.9114.9T218 I224 L229T218-R222 WeakPolarHBondContact O-CB 3.45Å; T218-R222 WeakPolarHBondContact O-CG 3.43Å; T218-R222 PolarHBondContact O-N 3.35Å; R222-I224 VanDerWaalsContact C-N 3.35Å; R222-L229 HydrophobicContact CB-CD1 4.37Å
223N97.2Very high96.7Very high127 Ų12748.1 Ų48.168%0.67925%0.248SC*.THydrogen-bonded Turntrans-83-13.3-176.4-160.134.8000113.1T164 F221T164-N223 HydrophobicContact CG2-CB 4.36Å; F221-N223 PolarHBondContact O-N 3.21Å; F221-N223 VanDerWaalsContact O-N 3.09Å
224I98Very high96.7Very high7 Ų749.1 Ų49.14%0.03625%0.253CS..SBendtrans-82.1124.8179.8-53.9174.4000108.8T164 A167 V168 L171 W177 I180 F221 R222 I227T164-I224 HydrophobicContact CG2-CD1 4.15Å; T164-I224 HydrophobicContact CG2-CG1 3.7Å; A167-I224 HydrophobicContact CB-CD1 4.01Å; V168-I224 HydrophobicContact CG2-CD1 3.71Å; V168-I224 HydrophobicContact CG2-CG1 4.18Å; L171-I224 HydrophobicContact CD1-CD1 3.94Å; W177-I224 HydrophobicContact CZ3-CG2 4.5Å; I180-I224 HydrophobicContact CD1-CG2 4.25Å; I180-I224 HydrophobicContact CG2-CG2 4.06Å; F221-I224 HydrophobicContact CD1-CD1 4.21Å; F221-I224 PolarHBondContact O-N 2.73Å; F221-I224 VanDerWaalsContact O-N 3.13Å; R222-I224 VanDerWaalsContact C-N 3.35Å; I224-I227 HydrophobicContact CB-CD1 3.7Å; I224-I227 HydrophobicContact CB-CG1 4.15Å; I224-I227 HydrophobicContact CD1-CD1 3.96Å; I224-I227 HydrophobicContact CG1-CD1 4.41Å; I224-I227 HydrophobicContact CG2-CD1 3.59Å; I224-I227 HydrophobicContact CG2-CG1 3.96Å
225P97.8Very high96.8Very high20 Ų2046.3 Ų46.313%0.1324%0.237CC..THydrogen-bonded Turntrans-66.9139.1-174.526-33.2000112.1V183 Y184 I227V183-P225 HydrophobicContact CG1-CB 4.15Å; Y184-P225 HydrophobicContact CD1-CG 4.12Å; Y184-P225 HydrophobicContact CD2-CG 4.27Å; Y184-P225 HydrophobicContact CE1-CG 3.54Å; Y184-P225 HydrophobicContact CE2-CG 3.69Å; Y184-P225 HydrophobicContact CG-CG 4.46Å; Y184-P225 VanDerWaalsContact OH-CD 3.29Å; Y184-P225 WeakPolarHBondContact OH-CD 3.41Å; Y184-P225 WeakPolarHBondContact OH-CG 3.26Å; P225-I227 PolarHBondContact O-N 2.82Å
226G95.9Very high96.9Very high7 Ų745.6 Ų45.67%0.07223%0.225CC..THydrogen-bonded Turntrans85-17.1175.100000114.9G206G206-G226 WeakPolarHBondContact CA-O 3.34Å; G206-G226 PolarHBondContact N-O 3.27Å
227I97.8Very high97.1Very high23 Ų2345.1 Ų45.112%0.11822%0.219CC..  trans-69.1140.2173.6-59.7-170000109.6L171 I180 P207 I209 F221 I224 P225 L229L171-I227 HydrophobicContact CD1-CD1 3.55Å; I180-I227 HydrophobicContact CD1-CD1 4.06Å; I180-I227 HydrophobicContact CD1-CG1 4.43Å; P207-I227 WeakPolarHBondContact O-CA 3.41Å; I209-I227 HydrophobicContact CD1-CD1 4.36Å; I209-I227 HydrophobicContact CD1-CG2 3.78Å; I209-I227 HydrophobicContact CG1-CG2 4.1Å; F221-I227 HydrophobicContact CB-CG2 4.43Å; F221-I227 HydrophobicContact CD1-CD1 4.03Å; I224-I227 HydrophobicContact CB-CD1 3.7Å; I224-I227 HydrophobicContact CB-CG1 4.15Å; I224-I227 HydrophobicContact CD1-CD1 3.96Å; I224-I227 HydrophobicContact CG1-CD1 4.41Å; I224-I227 HydrophobicContact CG2-CD1 3.59Å; I224-I227 HydrophobicContact CG2-CG1 3.96Å; P225-I227 PolarHBondContact O-N 2.82Å; I227-L229 HydrophobicContact CG2-CD2 4.33Å
228T97.9Very high97.2Very high20 Ų2047.1 Ų47.112%0.12323%0.23CC..EExtended strand (participates in β ladder)trans-125.8140.5166.360.90000110.2P207 C208 I209 R248P207-T228 PolarHBondContact O-N 3.41Å; C208-T228 CarbonylContact C-O 3.6Å; C208-T228 WeakPolarHBondContact CA-O 3.41Å; C208-T228 PolarHBondContact SG-OG1 2.88Å; I209-T228 PolarHBondContact N-O 3.27Å; T228-R248 VanDerWaalsContact CG2-NH2 3.34Å; T228-R248 PolarHBondContact OG1-NH1 3.47Å; T228-R248 PolarHBondContact OG1-NH2 3.39Å
229L97.6Very high97.3Very high23 Ų2351.4 Ų51.412%0.1224%0.242CC..EExtended strand (participates in β ladder)trans-104.6139.9-177.5-59.4160.8000109I209 Y211 L217 T218 F221 R222 I227 R239I209-L229 HydrophobicContact CB-CD2 3.95Å; I209-L229 HydrophobicContact CD1-CD2 4.39Å; I209-L229 HydrophobicContact CG2-CD2 4.33Å; I209-L229 CarbonylContact O-C 2.98Å; I209-L229 WeakPolarHBondContact O-CA 3.27Å; Y211-L229 HydrophobicContact CE1-CB 4.07Å; L217-L229 HydrophobicContact CD2-CD2 3.62Å; T218-L229 HydrophobicContact CG2-CD1 4.26Å; F221-L229 HydrophobicContact CB-CD1 4.22Å; F221-L229 HydrophobicContact CB-CD2 3.63Å; F221-L229 HydrophobicContact CB-CG 4.37Å; F221-L229 HydrophobicContact CG-CD2 4.29Å; R222-L229 HydrophobicContact CB-CD1 4.37Å; I227-L229 HydrophobicContact CG2-CD2 4.33Å; L229-R239 PolarHBondContact O-NH1 2.82Å
230Q97.6Very high97.3Very high6 Ų644.8 Ų44.83%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-139.6135.7173.3-61.7-158.8-82.500111.1I209 V210 Y211 L235 N236 R239 L240I209-Q230 PolarHBondContact O-N 3.2Å; V210-Q230 VanDerWaalsContact CA-O 3.29Å; V210-Q230 WeakPolarHBondContact CA-O 3.48Å; V210-Q230 HydrophobicContact CG2-CB 4.47Å; Y211-Q230 WeakPolarHBondContact CD1-O 3.34Å; Y211-Q230 VanDerWaalsContact CE1-C 3.44Å; Y211-Q230 WeakPolarHBondContact CE1-O 3.16Å; Y211-Q230 PolarHBondContact N-O 3.34Å; Q230-L235 HydrophobicContact CB-CD2 4.23Å; Q230-N236 PolarHBondContact NE2-O 3.4Å; Q230-R239 HydrophobicContact CG-CB 4.37Å; Q230-L240 VanDerWaalsContact OE1-CD2 3.31Å
231N97.7Very high97.3Very high38 Ų3844.8 Ų44.820%0.20321%0.213CC..EExtended strand (participates in β ladder)trans-75.6136.2163.7-171-52.9000108.8Y211 N212 N233 Q234 L235Y211-N231 HydrophobicContact CE2-CB 4.15Å; Y211-N231 CarbonylContact O-C 3.49Å; Y211-N231 WeakPolarHBondContact O-CA 3.39Å; N212-N231 PolarHBondContact O-ND2 2.9Å; N231-N233 PolarHBondContact O-N 3.38Å; N231-N233 WeakPolarHBondContact OD1-CB 3.26Å; N231-N233 PolarHBondContact OD1-N 3.13Å; N231-Q234 CarbonylContact O-C 3.39Å; N231-Q234 VanDerWaalsContact O-C 3.3Å; N231-Q234 PolarHBondContact O-N 2.69Å; N231-L235 PolarHBondContact O-N 2.73Å
232V97.3Very high97.3Very high1 Ų146 Ų461%0.00622%0.221CC..G310 helixtrans-56.4-33.2177.870.10000113.3V210 Y211 N212 Q234 L235 W252 A256 K259 L260 L263V210-V232 HydrophobicContact CG1-CB 4.09Å; Y211-V232 PolarHBondContact O-N 3.45Å; N212-V232 HydrophobicContact CB-CG1 4.37Å; V232-Q234 VanDerWaalsContact C-N 3.28Å; V232-Q234 PolarHBondContact O-N 3.29Å; V232-L235 WeakPolarHBondContact O-CG 3.45Å; V232-W252 HydrophobicContact CG2-CZ3 4.32Å; V232-A256 HydrophobicContact CB-CB 4.11Å; V232-A256 HydrophobicContact CG1-CB 4.49Å; V232-A256 HydrophobicContact CG2-CB 4.4Å; V232-A256 WeakPolarHBondContact CG2-O 3.34Å; V232-K259 HydrophobicContact CG1-CB 4.47Å; V232-K259 HydrophobicContact CG1-CD 3.77Å; V232-K259 HydrophobicContact CG1-CG 4.46Å; V232-L260 HydrophobicContact CG2-CD2 3.96Å; V232-L260 HydrophobicContact CG2-CG 4.36Å; V232-L263 HydrophobicContact CB-CD1 4.49Å; V232-L263 HydrophobicContact CG1-CD1 4.49Å; V232-L263 HydrophobicContact CG2-CD1 3.65Å; V232-L263 WeakPolarHBondContact O-CD1 3.35Å
233N96.2Very high97.3Very high81 Ų8138.6 Ų38.643%0.43321%0.205SC..G310 helixtrans-72-23.6177-72.3-18.6000112.4N231 K259N231-N233 PolarHBondContact O-N 3.38Å; N231-N233 WeakPolarHBondContact OD1-CB 3.26Å; N231-N233 PolarHBondContact OD1-N 3.13Å; N233-K259 PolarHBondContact ND2-NZ 3.32Å; N233-K259 VanDerWaalsContact ND2-NZ 3.18Å; N233-K259 VanDerWaalsContact OD1-CE 3.24Å; N233-K259 WeakPolarHBondContact OD1-CE 3.44Å; N233-K259 PolarHBondContact OD1-NZ 3.22Å
234Q95.7Very high97.3Very high155 Ų15532.8 Ų32.872%0.72418%0.176SC*.G310 helixtrans-124.549.7-172.9-62.9-176.2-6.400111.8N231 V232 N236N231-Q234 CarbonylContact O-C 3.39Å; N231-Q234 VanDerWaalsContact O-C 3.3Å; N231-Q234 PolarHBondContact O-N 2.69Å; V232-Q234 VanDerWaalsContact C-N 3.28Å; V232-Q234 PolarHBondContact O-N 3.29Å; Q234-N236 PolarHBondContact O-N 2.76Å
235L97Very high97.3Very high20 Ų2038.8 Ų38.811%0.10520%0.203CC..  trans-64132.3175.4-67.6175000111.4I124 L128 V210 Q230 N231 V232 L240 W252 L260 Y264I124-L235 HydrophobicContact CG2-CB 4.31Å; I124-L235 HydrophobicContact CG2-CD1 4.39Å; L128-L235 HydrophobicContact CD1-CD1 4Å; L128-L235 HydrophobicContact CD2-CD1 4.26Å; V210-L235 HydrophobicContact CG1-CD2 4Å; V210-L235 HydrophobicContact CG2-CD2 4.47Å; Q230-L235 HydrophobicContact CB-CD2 4.23Å; N231-L235 PolarHBondContact O-N 2.73Å; V232-L235 WeakPolarHBondContact O-CG 3.45Å; L235-L240 HydrophobicContact CB-CD1 4.24Å; L235-L240 HydrophobicContact CD2-CD1 4.42Å; L235-W252 HydrophobicContact CD1-CH2 4.45Å; L235-L260 HydrophobicContact CD1-CD2 4.26Å; L235-Y264 HydrophobicContact CD1-CE2 4.36Å
236N97.5Very high97.3Very high48 Ų4838.7 Ų38.726%0.25720%0.202SC..  trans-119.2122.3-178.3-173.3-23.5000110.6M44 Q230 Q234 L238 R239 L240M44-N236 WeakPolarHBondContact CE-OD1 3.19Å; Q230-N236 PolarHBondContact NE2-O 3.4Å; Q234-N236 PolarHBondContact O-N 2.76Å; N236-L238 VanDerWaalsContact C-N 3.27Å; N236-L238 PolarHBondContact O-N 3.47Å; N236-L238 WeakPolarHBondContact OD1-CB 3.45Å; N236-L238 PolarHBondContact OD1-N 3.45Å; N236-R239 HydrophobicContact CB-CG 4.41Å; N236-R239 PolarHBondContact O-N 3.03Å; N236-L240 PolarHBondContact O-N 3.28Å
237L97.7Very high97.3Very high3 Ų338.3 Ų38.32%0.01620%0.199CC..Hα-helixtrans-57.3-36.9178.5-17369.3000113V37 V40 H41 M44 A123 I124 A127 R239 L240 A241V37-L237 HydrophobicContact CG1-CD1 4.28Å; V40-L237 HydrophobicContact CB-CD2 3.86Å; V40-L237 HydrophobicContact CG1-CD2 3.47Å; V40-L237 VanDerWaalsContact CG1-CD2 3.47Å; H41-L237 HydrophobicContact CB-CD2 4.18Å; M44-L237 HydrophobicContact SD-CB 4.19Å; A123-L237 HydrophobicContact CB-CD1 3.93Å; A123-L237 HydrophobicContact CB-CD2 3.67Å; A123-L237 HydrophobicContact CB-CG 4.44Å; A123-L237 WeakPolarHBondContact O-CD1 3.49Å; I124-L237 HydrophobicContact CG1-CB 4.33Å; A127-L237 HydrophobicContact CB-CD1 4.01Å; L237-R239 PolarHBondContact O-N 3.23Å; L237-L240 PolarHBondContact O-N 3.34Å; L237-A241 HydrophobicContact CD1-CB 4.27Å; L237-A241 PolarHBondContact O-N 3.34Å
238L97.9Very high97.3Very high43 Ų4337.4 Ų37.423%0.22519%0.193CC..Hα-helixtrans-63.8-23.6179.6-60.3-177.2000112.5H41 M44 R45 N236H41-L238 VanDerWaalsContact CD2-CD2 3.43Å; H41-L238 WeakPolarHBondContact CD2-CD2 3.43Å; M44-L238 HydrophobicContact CB-CD2 4.29Å; M44-L238 HydrophobicContact CE-CG 4.45Å; M44-L238 HydrophobicContact CG-CD1 4.26Å; M44-L238 HydrophobicContact CG-CD2 4.31Å; M44-L238 HydrophobicContact CG-CG 4.18Å; M44-L238 HydrophobicContact SD-CD2 4.48Å; M44-L238 HydrophobicContact SD-CG 4.1Å; R45-L238 HydrophobicContact CB-CD2 4.03Å; N236-L238 VanDerWaalsContact C-N 3.27Å; N236-L238 PolarHBondContact O-N 3.47Å; N236-L238 WeakPolarHBondContact OD1-CB 3.45Å; N236-L238 PolarHBondContact OD1-N 3.45Å
239R97.4Very high97.3Very high121 Ų12136.5 Ų36.546%0.45719%0.188SC..Hα-helixtrans-92.3-39.3174.7-60.5-172-178.9-174.83.2111.2L229 Q230 N236 L237 P242 R248L229-R239 PolarHBondContact O-NH1 2.82Å; Q230-R239 HydrophobicContact CG-CB 4.37Å; N236-R239 HydrophobicContact CB-CG 4.41Å; N236-R239 PolarHBondContact O-N 3.03Å; L237-R239 PolarHBondContact O-N 3.23Å; R239-P242 WeakPolarHBondContact O-CD 3.43Å; R239-P242 WeakPolarHBondContact O-CG 3.17Å; R239-R248 WeakPolarHBondContact O-CD 3.4Å; R239-R248 PolarHBondContact O-NH1 3.28Å
240L97.5Very high97.3Very high3 Ų335.6 Ų35.62%0.01618%0.183CC..Hα-helixtrans-72.2-34.9179.3-68.3175.9000113.7I124 A127 L128 Q230 L235 N236 L237 R248I124-L240 HydrophobicContact CG2-CD1 4.02Å; A127-L240 HydrophobicContact CB-CB 4.06Å; L128-L240 HydrophobicContact CD2-CD1 3.92Å; L128-L240 HydrophobicContact CD2-CD2 4.36Å; L128-L240 HydrophobicContact CG-CD1 4.28Å; Q230-L240 VanDerWaalsContact OE1-CD2 3.31Å; L235-L240 HydrophobicContact CB-CD1 4.24Å; L235-L240 HydrophobicContact CD2-CD1 4.42Å; N236-L240 PolarHBondContact O-N 3.28Å; L237-L240 PolarHBondContact O-N 3.34Å; L240-R248 WeakPolarHBondContact O-CB 3.19Å
241A97.9Very high97.3Very high0 Ų035.6 Ų35.60%018%0.184CC..SBendtrans-126.469.2178.400000111.3V37 H41 A127 L237 G243 G244 H245V37-A241 HydrophobicContact CG1-CB 3.76Å; H41-A241 PolarHBondContact CD2-O 3.21Å; H41-A241 VanDerWaalsContact CD2-O 3.25Å; A127-A241 HydrophobicContact CB-CB 4.37Å; L237-A241 HydrophobicContact CD1-CB 4.27Å; L237-A241 PolarHBondContact O-N 3.34Å; A241-G243 PolarHBondContact O-N 2.89Å; A241-G244 PolarHBondContact O-N 3.39Å; A241-H245 WeakPolarHBondContact CA-O 3.36Å
242P97.8Very high97.4Very high27 Ų2733.8 Ų33.818%0.17517%0.174CC..G310 helixtrans-59.9123.2-176.8-21.833000111.2K140 R239 G244K140-P242 PolarHBondContact NZ-O 3.32Å; R239-P242 WeakPolarHBondContact O-CD 3.43Å; R239-P242 WeakPolarHBondContact O-CG 3.17Å; P242-G244 VanDerWaalsContact C-N 3.3Å
243G96.3Very high97.4Very high38 Ų3833.8 Ų33.839%0.39217%0.174SC..G310 helixtrans825-177.900000114.4H41 A241 H245H41-G243 VanDerWaalsContact CE1-CA 3.42Å; H41-G243 WeakPolarHBondContact CE1-CA 3.45Å; H41-G243 PolarHBondContact NE2-N 3.06Å; H41-G243 VanDerWaalsContact NE2-N 3.13Å; A241-G243 PolarHBondContact O-N 2.89Å; G243-H245 VanDerWaalsContact C-N 3.3Å
244G97Very high97.4Very high5 Ų530.6 Ų30.65%0.05216%0.156CC..G310 helixtrans85.5-2-178.700000114H41 A241 P242H41-G244 PolarHBondContact CD2-N 3.1Å; H41-G244 PolarHBondContact CE1-N 3.13Å; H41-G244 VanDerWaalsContact CE1-N 3.32Å; H41-G244 PolarHBondContact ND1-N 3.36Å; H41-G244 PolarHBondContact NE2-N 2.84Å; A241-G244 PolarHBondContact O-N 3.39Å; P242-G244 VanDerWaalsContact C-N 3.3Å
245H98Very high97.5Very high132 Ų13224.3 Ų24.361%0.61113%0.129SC*.  trans-92.2130.4171.9-40.8-88.9000110.6K140 A241 G243K140-H245 HydrophobicContact CD-CB 4.24Å; K140-H245 PolarHBondContact NZ-O 3.31Å; A241-H245 WeakPolarHBondContact CA-O 3.36Å; G243-H245 VanDerWaalsContact C-N 3.3Å
246V97.6Very high97.5Very high18 Ų1823.3 Ų23.311%0.10912%0.124CC..  trans-73.8175.4179.1-63.90000112.5V37 A130V37-V246 HydrophobicContact CB-CG1 4.07Å; V37-V246 HydrophobicContact CG1-CG1 3.81Å; V37-V246 HydrophobicContact CG2-CG1 3.86Å; A130-V246 HydrophobicContact CB-CB 3.62Å; A130-V246 HydrophobicContact CB-CG1 4.4Å; A130-V246 HydrophobicContact CB-CG2 3.9Å
247G96.1Very high97.5Very high0 Ų021 Ų210%011%0.112CC..  trans81.141.3175.100000113.8V137 K140V137-G247 WeakPolarHBondContact CA-O 3.45Å; K140-G247 WeakPolarHBondContact CB-O 3.26Å; K140-G247 WeakPolarHBondContact CG-O 3.5Å
248R97.9Very high97.4Very high3 Ų327.3 Ų27.31%0.01114%0.136CC..  trans-77136.8169.7-170.2177.7-173.6-163-12.5109.7S131 G206 P207 T228 R239 L240 C250S131-R248 VanDerWaalsContact CB-O 3.24Å; S131-R248 WeakPolarHBondContact CB-O 3.26Å; G206-R248 PolarHBondContact O-NE 2.73Å; G206-R248 VanDerWaalsContact O-NE 3.17Å; G206-R248 PolarHBondContact O-NH2 3.3Å; P207-R248 PolarHBondContact O-NH2 2.78Å; T228-R248 VanDerWaalsContact CG2-NH2 3.34Å; T228-R248 PolarHBondContact OG1-NH1 3.47Å; T228-R248 PolarHBondContact OG1-NH2 3.39Å; R239-R248 WeakPolarHBondContact O-CD 3.4Å; R239-R248 PolarHBondContact O-NH1 3.28Å; L240-R248 WeakPolarHBondContact O-CB 3.19Å; R248-C250 PolarHBondContact O-N 3.17Å; R248-C250 PolarHBondContact O-SG 3.41Å
249F98.1Very high97.3Very high1 Ų127.1 Ų27.10%0.00413%0.133CC..  trans-65.7121.7173.7178.4-128.8000110.3V137 H142 I144 I147 L152 A176 P207 C208 I251V137-F249 HydrophobicContact CG1-CB 3.71Å; V137-F249 HydrophobicContact CG1-CD2 4.36Å; V137-F249 HydrophobicContact CG1-CG 4.41Å; H142-F249 HydrophobicContact CB-CB 3.95Å; H142-F249 PolarHBondContact CD2-N 2.79Å; H142-F249 VanDerWaalsContact CD2-N 3.28Å; H142-F249 PolarHBondContact NE2-N 3.17Å; I144-F249 HydrophobicContact CG2-CB 4.36Å; I144-F249 HydrophobicContact CG2-CD1 4.36Å; I144-F249 HydrophobicContact CG2-CD2 3.99Å; I144-F249 HydrophobicContact CG2-CE2 4.45Å; I144-F249 HydrophobicContact CG2-CG 3.97Å; I147-F249 HydrophobicContact CD1-CD1 4.4Å; I147-F249 HydrophobicContact CD1-CD2 4.45Å; I147-F249 HydrophobicContact CD1-CE1 3.68Å; I147-F249 HydrophobicContact CD1-CE2 3.74Å; I147-F249 HydrophobicContact CD1-CZ 3.32Å; L152-F249 HydrophobicContact CB-CE2 4.27Å; L152-F249 HydrophobicContact CB-CZ 4.39Å; L152-F249 HydrophobicContact CD2-CZ 3.97Å; A176-F249 HydrophobicContact CB-CE1 4.05Å; P207-F249 HydrophobicContact CB-CD1 3.71Å; P207-F249 HydrophobicContact CB-CE1 3.97Å; P207-F249 HydrophobicContact CG-CD1 3.82Å; P207-F249 HydrophobicContact CG-CE1 4.04Å; C208-F249 PolarHBondContact N-O 3.25Å; F249-I251 HydrophobicContact CE1-CD1 3.88Å; F249-I251 HydrophobicContact CE1-CG1 3.77Å; F249-I251 HydrophobicContact CE2-CG1 4.42Å; F249-I251 HydrophobicContact CZ-CD1 4.08Å; F249-I251 HydrophobicContact CZ-CG1 3.64Å
250C97.9Very high97.2Very high4 Ų421.4 Ų21.43%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-122.9134.3-177-59.40000109.8C208 R248 W252C208-C250 CarbonylContact O-C 3.54Å; C208-C250 VanDerWaalsContact O-CA 3.23Å; C208-C250 WeakPolarHBondContact O-CA 3.46Å; R248-C250 PolarHBondContact O-N 3.17Å; R248-C250 PolarHBondContact O-SG 3.41Å; C250-W252 HydrophobicContact CB-CZ2 4.41Å
251I97.9Very high97Very high6 Ų623.8 Ų23.83%0.03112%0.124CC..EExtended strand (participates in β ladder)trans-111.1129.2175-52179.5000107L152 V154 L171 A176 P207 C208 I209 V210 F249L152-I251 HydrophobicContact CD2-CD1 4.32Å; L152-I251 HydrophobicContact CD2-CG1 4.13Å; L152-I251 HydrophobicContact CD2-CG2 4.13Å; L152-I251 HydrophobicContact CG-CG2 4.41Å; V154-I251 HydrophobicContact CG1-CG2 4.17Å; V154-I251 HydrophobicContact CG2-CG2 4.27Å; L171-I251 HydrophobicContact CD2-CD1 3.86Å; A176-I251 HydrophobicContact CB-CD1 4.36Å; P207-I251 HydrophobicContact CB-CD1 4.05Å; P207-I251 HydrophobicContact CB-CG1 4.39Å; C208-I251 PolarHBondContact O-N 2.89Å; I209-I251 CarbonylContact C-O 3.45Å; I209-I251 WeakPolarHBondContact CA-O 3.43Å; I209-I251 HydrophobicContact CG1-CB 4.42Å; V210-I251 PolarHBondContact N-O 3.26Å; F249-I251 HydrophobicContact CE1-CD1 3.88Å; F249-I251 HydrophobicContact CE1-CG1 3.77Å; F249-I251 HydrophobicContact CE2-CG1 4.42Å; F249-I251 HydrophobicContact CZ-CD1 4.08Å; F249-I251 HydrophobicContact CZ-CG1 3.64Å
252W98.1Very high96.8Very high1 Ų128.7 Ų28.70%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-114.2138.4-174.3-61.986.1000110.7F28 L128 L152 V153 V154 V210 V232 L235 C250 A256 F257 L260F28-W252 HydrophobicContact CZ-CZ2 4.05Å; L128-W252 HydrophobicContact CD2-CH2 3.51Å; L128-W252 HydrophobicContact CD2-CZ2 3.52Å; L152-W252 PolarHBondContact O-N 3.34Å; V153-W252 CarbonylContact C-O 3.58Å; V153-W252 WeakPolarHBondContact CA-O 3.42Å; V153-W252 HydrophobicContact CG2-CB 4.4Å; V154-W252 WeakPolarHBondContact CG2-O 3.45Å; V154-W252 PolarHBondContact N-O 3.08Å; V210-W252 HydrophobicContact CB-CD2 4.01Å; V210-W252 HydrophobicContact CB-CE3 3.57Å; V210-W252 HydrophobicContact CB-CH2 4.18Å; V210-W252 HydrophobicContact CB-CZ3 3.68Å; V210-W252 HydrophobicContact CG1-CE3 3.63Å; V210-W252 HydrophobicContact CG1-CH2 4Å; V210-W252 HydrophobicContact CG1-CZ3 3.33Å; V210-W252 HydrophobicContact CG2-CD2 4.3Å; V210-W252 HydrophobicContact CG2-CE3 4.15Å; V210-W252 HydrophobicContact CG2-CH2 3.97Å; V210-W252 HydrophobicContact CG2-CZ2 4.13Å; V210-W252 HydrophobicContact CG2-CZ3 4.01Å; V232-W252 HydrophobicContact CG2-CZ3 4.32Å; L235-W252 HydrophobicContact CD1-CH2 4.45Å; C250-W252 HydrophobicContact CB-CZ2 4.41Å; W252-A256 HydrophobicContact CE3-CB 4.35Å; W252-F257 HydrophobicContact CB-CB 4.15Å; W252-F257 HydrophobicContact CB-CD2 3.88Å; W252-F257 HydrophobicContact CB-CG 4.45Å; W252-F257 HydrophobicContact CD2-CD2 4.08Å; W252-F257 HydrophobicContact CE3-CD2 4.49Å; W252-F257 AromaticContact CG-CD2 3.76Å; W252-F257 HydrophobicContact CG-CD2 3.76Å; W252-F257 HydrophobicContact CG-CE2 4.46Å; W252-L260 HydrophobicContact CE3-CD1 4.16Å; W252-L260 HydrophobicContact CH2-CD1 3.91Å; W252-L260 HydrophobicContact CH2-CD2 4.16Å; W252-L260 HydrophobicContact CZ2-CD1 4.45Å; W252-L260 HydrophobicContact CZ3-CD1 3.72Å; W252-L260 HydrophobicContact CZ3-CD2 4Å; W252-L260 HydrophobicContact CZ3-CG 4.09Å
253T97.8Very high96.7Very high1 Ų127.9 Ų27.91%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-74.9153.2160.961.20000109.9V154 E159 V210 Y211 L217 S255 A256 F257V154-T253 HydrophobicContact CG2-CG2 4.36Å; V154-T253 CarbonylContact O-C 3.3Å; V154-T253 WeakPolarHBondContact O-CA 3.43Å; E159-T253 HydrophobicContact CG-CG2 3.72Å; E159-T253 WeakPolarHBondContact OE1-CB 3.34Å; E159-T253 PolarHBondContact OE1-OG1 3.25Å; V210-T253 PolarHBondContact O-N 3.13Å; Y211-T253 WeakPolarHBondContact CA-OG1 3.36Å; L217-T253 HydrophobicContact CD1-CG2 4.42Å; T253-S255 PolarHBondContact O-N 3.03Å; T253-A256 PolarHBondContact O-N 3.44Å; T253-A256 WeakPolarHBondContact OG1-CB 3.41Å; T253-F257 WeakPolarHBondContact O-CB 3.29Å; T253-F257 PolarHBondContact O-N 2.7Å
254E96.6Very high96.6Very high13 Ų1326.5 Ų26.56%0.06112%0.124CC..Hα-helixtrans-54.9-50.5-176.4-179.1176.9-175.100111.8V10 V22 V153 V154 D156 A256 F257 R258V10-E254 HydrophobicContact CG1-CB 4.28Å; V10-E254 HydrophobicContact CG1-CG 4.46Å; V10-E254 HydrophobicContact CG2-CG 4.22Å; V22-E254 HydrophobicContact CG2-CG 4.11Å; V153-E254 HydrophobicContact CG1-CB 4.43Å; V154-E254 PolarHBondContact O-N 2.96Å; D156-E254 PolarHBondContact OD1-N 3.25Å; E254-A256 PolarHBondContact O-N 3.4Å; E254-F257 WeakPolarHBondContact O-CB 3.38Å; E254-F257 PolarHBondContact O-N 3.43Å; E254-R258 WeakPolarHBondContact O-CG 3.33Å; E254-R258 PolarHBondContact O-N 3.12Å; E254-R258 IonicContact OE1-CZ 3.27Å; E254-R258 VanDerWaalsContact OE1-CZ 3.27Å; E254-R258 IonicContact OE1-NE 3.47Å; E254-R258 PolarHBondContact OE1-NE 3.18Å; E254-R258 IonicContact OE1-NH2 2.65Å; E254-R258 PolarHBondContact OE1-NH2 3.11Å
255S96.8Very high96.4Very high23 Ų2326.3 Ų26.316%0.16112%0.123CC..Hα-helixtrans-63.5-39.5177.861.40000112.5D156 E159 N212 T253 F257 K259D156-S255 WeakPolarHBondContact OD1-CB 3.41Å; D156-S255 PolarHBondContact OD1-N 3.47Å; D156-S255 PolarHBondContact OD1-OG 2.95Å; D156-S255 WeakPolarHBondContact OD2-CB 3.34Å; D156-S255 PolarHBondContact OD2-N 2.97Å; E159-S255 PolarHBondContact OE1-OG 3.05Å; N212-S255 VanDerWaalsContact CB-OG 3.28Å; N212-S255 WeakPolarHBondContact CB-OG 3.43Å; T253-S255 PolarHBondContact O-N 3.03Å; S255-F257 VanDerWaalsContact C-N 3.29Å; S255-F257 PolarHBondContact O-N 3.16Å; S255-K259 WeakPolarHBondContact O-CB 3.29Å; S255-K259 PolarHBondContact O-N 3.15Å; S255-K259 VanDerWaalsContact O-N 3.1Å
256A97.4Very high96.2Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-63.8-38.3175.100000111.7V210 N212 V232 W252 T253 E254V210-A256 HydrophobicContact CG1-CB 4.46Å; N212-A256 HydrophobicContact CB-CB 4.28Å; V232-A256 HydrophobicContact CB-CB 4.11Å; V232-A256 HydrophobicContact CG1-CB 4.49Å; V232-A256 HydrophobicContact CG2-CB 4.4Å; V232-A256 WeakPolarHBondContact CG2-O 3.34Å; W252-A256 HydrophobicContact CE3-CB 4.35Å; T253-A256 PolarHBondContact O-N 3.44Å; T253-A256 WeakPolarHBondContact OG1-CB 3.41Å; E254-A256 PolarHBondContact O-N 3.4Å
257F96.9Very high95.9Very high0 Ų024.9 Ų24.90%012%0.115CC..Hα-helixtrans-67.6-47.2-179.8-163.4-104000111.6I8 V22 P25 F28 P151 V153 W252 T253 E254 S255 K259 L260I8-F257 HydrophobicContact CD1-CE1 3.48Å; I8-F257 VanDerWaalsContact CD1-CE1 3.48Å; I8-F257 HydrophobicContact CD1-CE2 4.23Å; I8-F257 HydrophobicContact CD1-CZ 3.16Å; V22-F257 HydrophobicContact CB-CD1 4.33Å; V22-F257 HydrophobicContact CG1-CD1 3.78Å; V22-F257 HydrophobicContact CG1-CE1 4.26Å; P25-F257 HydrophobicContact CG-CD1 4.2Å; P25-F257 HydrophobicContact CG-CE1 3.94Å; P25-F257 HydrophobicContact CG-CZ 4.12Å; P25-F257 VanDerWaalsContact CG-O 3.31Å; P25-F257 WeakPolarHBondContact CG-O 3.24Å; F28-F257 HydrophobicContact CD2-CE2 4.1Å; F28-F257 HydrophobicContact CD2-CZ 4.09Å; F28-F257 HydrophobicContact CE2-CD2 4.04Å; F28-F257 AromaticContact CE2-CE2 3.19Å; F28-F257 HydrophobicContact CE2-CE2 3.19Å; F28-F257 AromaticContact CE2-CZ 3.61Å; F28-F257 HydrophobicContact CE2-CZ 3.61Å; F28-F257 HydrophobicContact CZ-CD2 4.29Å; F28-F257 AromaticContact CZ-CE2 3.56Å; F28-F257 HydrophobicContact CZ-CE2 3.56Å; F28-F257 HydrophobicContact CZ-CZ 4.35Å; P151-F257 HydrophobicContact CB-CE2 4.07Å; P151-F257 HydrophobicContact CG-CE2 4.38Å; V153-F257 HydrophobicContact CG1-CB 4.18Å; V153-F257 HydrophobicContact CG1-CG 4.4Å; V153-F257 HydrophobicContact CG2-CB 4.29Å; V153-F257 HydrophobicContact CG2-CD1 3.94Å; V153-F257 HydrophobicContact CG2-CD2 3.7Å; V153-F257 HydrophobicContact CG2-CE1 4.17Å; V153-F257 HydrophobicContact CG2-CE2 3.94Å; V153-F257 HydrophobicContact CG2-CG 3.71Å; V153-F257 HydrophobicContact CG2-CZ 4.2Å; W252-F257 HydrophobicContact CB-CB 4.15Å; W252-F257 HydrophobicContact CB-CD2 3.88Å; W252-F257 HydrophobicContact CB-CG 4.45Å; W252-F257 HydrophobicContact CD2-CD2 4.08Å; W252-F257 HydrophobicContact CE3-CD2 4.49Å; W252-F257 AromaticContact CG-CD2 3.76Å; W252-F257 HydrophobicContact CG-CD2 3.76Å; W252-F257 HydrophobicContact CG-CE2 4.46Å; T253-F257 WeakPolarHBondContact O-CB 3.29Å; T253-F257 PolarHBondContact O-N 2.7Å; E254-F257 WeakPolarHBondContact O-CB 3.38Å; E254-F257 PolarHBondContact O-N 3.43Å; S255-F257 VanDerWaalsContact C-N 3.29Å; S255-F257 PolarHBondContact O-N 3.16Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 3.47Å; F257-L260 HydrophobicContact CD2-CD1 4.44Å; F257-L260 WeakPolarHBondContact O-CB 3.47Å; F257-L260 PolarHBondContact O-N 2.9Å
258R95.9Very high95.7Very high134 Ų13436.6 Ų36.651%0.50616%0.159SC..Hα-helixtrans-61-39.6176.8-69178.3-176.4-155.71.1112.5V22 E254 L260 D261V22-R258 HydrophobicContact CG1-CG 3.61Å; V22-R258 HydrophobicContact CG2-CG 4.35Å; E254-R258 WeakPolarHBondContact O-CG 3.33Å; E254-R258 PolarHBondContact O-N 3.12Å; E254-R258 IonicContact OE1-CZ 3.27Å; E254-R258 VanDerWaalsContact OE1-CZ 3.27Å; E254-R258 IonicContact OE1-NE 3.47Å; E254-R258 PolarHBondContact OE1-NE 3.18Å; E254-R258 IonicContact OE1-NH2 2.65Å; E254-R258 PolarHBondContact OE1-NH2 3.11Å; R258-L260 PolarHBondContact O-N 3.15Å; R258-L260 VanDerWaalsContact O-N 3.11Å; R258-D261 PolarHBondContact O-N 3.06Å
259K96.4Very high95.5Very high40 Ų4043.7 Ų43.717%0.17419%0.19CC..Hα-helixtrans-65.6-14.6-177.7-162.1169.8-172.4-176.80114.5N212 V232 N233 S255 F257 D261 E262 L263N212-K259 VanDerWaalsContact OD1-CD 3.22Å; N212-K259 WeakPolarHBondContact OD1-CD 3.48Å; N212-K259 PolarHBondContact OD1-NZ 2.93Å; V232-K259 HydrophobicContact CG1-CB 4.47Å; V232-K259 HydrophobicContact CG1-CD 3.77Å; V232-K259 HydrophobicContact CG1-CG 4.46Å; N233-K259 PolarHBondContact ND2-NZ 3.32Å; N233-K259 VanDerWaalsContact ND2-NZ 3.18Å; N233-K259 VanDerWaalsContact OD1-CE 3.24Å; N233-K259 WeakPolarHBondContact OD1-CE 3.44Å; N233-K259 PolarHBondContact OD1-NZ 3.22Å; S255-K259 WeakPolarHBondContact O-CB 3.29Å; S255-K259 PolarHBondContact O-N 3.15Å; S255-K259 VanDerWaalsContact O-N 3.1Å; F257-K259 VanDerWaalsContact C-N 3.33Å; F257-K259 PolarHBondContact O-N 3.47Å; K259-D261 VanDerWaalsContact C-N 3.28Å; K259-D261 PolarHBondContact O-N 3.26Å; K259-E262 PolarHBondContact O-N 3.19Å; K259-L263 HydrophobicContact CG-CD1 4.44Å; K259-L263 WeakPolarHBondContact O-CG 3.47Å; K259-L263 PolarHBondContact O-N 3.49Å; K259-L263 VanDerWaalsContact O-N 3.08Å
260L96.1Very high95.3Very high0 Ų047.3 Ų47.30%021%0.212CC..Hα-helixtrans-62.5-33.7177.1-72.7173.6000113P25 V27 F28 L128 V232 L235 W252 F257 R258 L263 Y264P25-L260 HydrophobicContact CB-CB 3.84Å; P25-L260 HydrophobicContact CB-CD1 4.49Å; P25-L260 HydrophobicContact CG-CB 3.94Å; P25-L260 HydrophobicContact CG-CD1 4.25Å; V27-L260 HydrophobicContact CG1-CB 4.22Å; V27-L260 HydrophobicContact CG1-CD1 4.16Å; F28-L260 HydrophobicContact CE2-CD1 3.52Å; F28-L260 HydrophobicContact CZ-CD1 3.81Å; L128-L260 HydrophobicContact CD1-CD2 4.32Å; V232-L260 HydrophobicContact CG2-CD2 3.96Å; V232-L260 HydrophobicContact CG2-CG 4.36Å; L235-L260 HydrophobicContact CD1-CD2 4.26Å; W252-L260 HydrophobicContact CE3-CD1 4.16Å; W252-L260 HydrophobicContact CH2-CD1 3.91Å; W252-L260 HydrophobicContact CH2-CD2 4.16Å; W252-L260 HydrophobicContact CZ2-CD1 4.45Å; W252-L260 HydrophobicContact CZ3-CD1 3.72Å; W252-L260 HydrophobicContact CZ3-CD2 4Å; W252-L260 HydrophobicContact CZ3-CG 4.09Å; F257-L260 HydrophobicContact CD2-CD1 4.44Å; F257-L260 WeakPolarHBondContact O-CB 3.47Å; F257-L260 PolarHBondContact O-N 2.9Å; R258-L260 PolarHBondContact O-N 3.15Å; R258-L260 VanDerWaalsContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 3.03Å; L260-Y264 HydrophobicContact CD2-CD2 4.16Å; L260-Y264 HydrophobicContact CD2-CE2 3.93Å; L260-Y264 PolarHBondContact O-N 3.35Å
261D92.4Very high95.1Very high54 Ų5447.6 Ų47.629%0.28922%0.215SC..Hα-helixtrans-69.8-32.7178.3-84.9-18.4000112P25 A26 R258 K259 G265P25-D261 WeakPolarHBondContact CA-OD1 3.33Å; P25-D261 VanDerWaalsContact CB-OD1 3.31Å; P25-D261 WeakPolarHBondContact CB-OD1 3.39Å; A26-D261 PolarHBondContact N-OD1 3.19Å; A26-D261 VanDerWaalsContact N-OD1 3.11Å; R258-D261 PolarHBondContact O-N 3.06Å; K259-D261 VanDerWaalsContact C-N 3.28Å; K259-D261 PolarHBondContact O-N 3.26Å; D261-G265 WeakPolarHBondContact O-CA 3.47Å; D261-G265 PolarHBondContact O-N 3.11Å
262E94.4Very high94.9Very high102 Ų10251.2 Ų51.248%0.47724%0.241SC..Hα-helixtrans-69.3-40.7170.5-67.7175.9-169.900111.7K259 S272 L273K259-E262 PolarHBondContact O-N 3.19Å; E262-S272 WeakPolarHBondContact CA-OG 3.2Å; E262-S272 WeakPolarHBondContact CB-OG 3.29Å; E262-S272 PolarHBondContact O-N 3Å; E262-S272 PolarHBondContact O-OG 2.74Å; E262-S272 VanDerWaalsContact O-OG 3.04Å; E262-L273 HydrophobicContact CB-CD1 4.08Å; E262-L273 HydrophobicContact CB-CG 4.35Å; E262-L273 PolarHBondContact O-N 3.27Å
263L95Very high94.7Very high11 Ų1155.7 Ų55.76%0.05826%0.264CS..Hα-helixtrans-71.2-32.9-176.9-79.5168.3000114.2V232 K259 L260 L273 K274V232-L263 HydrophobicContact CB-CD1 4.49Å; V232-L263 HydrophobicContact CG1-CD1 4.49Å; V232-L263 HydrophobicContact CG2-CD1 3.65Å; V232-L263 WeakPolarHBondContact O-CD1 3.35Å; K259-L263 HydrophobicContact CG-CD1 4.44Å; K259-L263 WeakPolarHBondContact O-CG 3.47Å; K259-L263 PolarHBondContact O-N 3.49Å; K259-L263 VanDerWaalsContact O-N 3.08Å; L260-L263 PolarHBondContact O-N 3.03Å; L263-L273 HydrophobicContact CD2-CB 3.98Å; L263-L273 HydrophobicContact CD2-CD1 3.71Å; L263-L273 HydrophobicContact CG-CD1 3.94Å; L263-K274 WeakPolarHBondContact O-CD 3.11Å; L263-K274 VanDerWaalsContact O-CE 3.29Å; L263-K274 WeakPolarHBondContact O-CE 3.37Å; L263-K274 WeakPolarHBondContact O-CG 3.46Å; L263-K274 PolarHBondContact O-NZ 3.47Å
264Y94.9Very high94.5Very high8 Ų857.1 Ų57.13%0.03127%0.271CS..Hα-helixtrans-122.5-16.8-174.2-65.7-83.9000113.8V27 I124 C125 L128 L235 L260 K274 Y277V27-Y264 HydrophobicContact CB-CD2 4.39Å; V27-Y264 HydrophobicContact CB-CG 4.37Å; V27-Y264 HydrophobicContact CG2-CD1 4.29Å; V27-Y264 HydrophobicContact CG2-CD2 4.09Å; V27-Y264 HydrophobicContact CG2-CG 3.97Å; I124-Y264 HydrophobicContact CG2-CE1 4.48Å; I124-Y264 WeakPolarHBondContact CG2-OH 3.44Å; C125-Y264 WeakPolarHBondContact SG-CD1 3.39Å; C125-Y264 VanDerWaalsContact SG-CE1 3.58Å; L128-Y264 HydrophobicContact CD1-CE2 4Å; L235-Y264 HydrophobicContact CD1-CE2 4.36Å; L260-Y264 HydrophobicContact CD2-CD2 4.16Å; L260-Y264 HydrophobicContact CD2-CE2 3.93Å; L260-Y264 PolarHBondContact O-N 3.35Å; Y264-K274 PolarHBondContact OH-NZ 3.45Å; Y264-Y277 AromaticContact CD1-CE1 3.74Å; Y264-Y277 HydrophobicContact CD1-CE1 3.74Å
265G92.9Very high94.3Very high2 Ų264.5 Ų64.52%0.02130%0.302CS..  trans69.8-171.6-174.800000112.8D261 K269 L279D261-G265 WeakPolarHBondContact O-CA 3.47Å; D261-G265 PolarHBondContact O-N 3.11Å; G265-K269 CarbonylContact C-O 3.58Å; G265-K269 WeakPolarHBondContact CA-O 3.29Å; G265-L279 WeakPolarHBondContact O-CD1 3.28Å
266T92.4Very high94Very high44 Ų4470.5 Ų70.527%0.2733%0.333SS..  trans-109.9-176.516769.70000109.3A26 R268 K269A26-T266 HydrophobicContact CB-CG2 3.79Å; T266-R268 PolarHBondContact O-N 3.25Å; T266-R268 PolarHBondContact OG1-N 2.71Å; T266-K269 CarbonylContact C-O 3.53Å; T266-K269 PolarHBondContact N-O 3.23Å; T266-K269 PolarHBondContact OG1-N 3.25Å
267W92.2Very high93.8Very high76 Ų7671.3 Ų71.329%0.28834%0.336SS..SBendtrans-69.8-23.7170.3-68.4-83.2000112.8A26 R29 L279 P280 M281 H282A26-W267 HydrophobicContact CB-CE3 4.28Å; A26-W267 HydrophobicContact CB-CZ3 3.98Å; R29-W267 HydrophobicContact CB-CH2 3.56Å; R29-W267 HydrophobicContact CB-CZ3 3.97Å; W267-L279 HydrophobicContact CD2-CB 4.38Å; W267-L279 HydrophobicContact CD2-CD1 4.21Å; W267-L279 HydrophobicContact CE3-CD1 4.31Å; W267-L279 HydrophobicContact CG-CB 4.4Å; W267-L279 HydrophobicContact CH2-CD1 4.37Å; W267-L279 HydrophobicContact CZ2-CB 4.47Å; W267-L279 HydrophobicContact CZ2-CD1 4.27Å; W267-L279 HydrophobicContact CZ3-CD1 4.38Å; W267-P280 PolarHBondContact NE1-O 2.84Å; W267-M281 HydrophobicContact CG-SD 4.43Å; W267-H282 AromaticContact CH2-NE2 3.68Å; W267-H282 AromaticContact CZ2-CD2 3.82Å; W267-H282 AromaticContact CZ2-NE2 3.28Å; W267-H282 VanDerWaalsContact CZ2-NE2 3.28Å; W267-H282 WeakPolarHBondContact CZ2-NE2 3.23Å
268R91.5Very high93.7Very high245 Ų24577.3 Ų77.393%0.92536%0.362SS*.SBendtrans-90.4-36.7179.1-64.2-177.5179.5177.1-1.8112.3T266T266-R268 PolarHBondContact O-N 3.25Å; T266-R268 PolarHBondContact OG1-N 2.71Å
269K93.6Very high93.6Very high152 Ų15271.2 Ų71.266%0.66134%0.34SS*.SBendtrans-110.7126.7-178.3-173.7178.1178.8178.30110.7G265 T266G265-K269 CarbonylContact C-O 3.58Å; G265-K269 WeakPolarHBondContact CA-O 3.29Å; T266-K269 CarbonylContact C-O 3.53Å; T266-K269 PolarHBondContact N-O 3.23Å; T266-K269 PolarHBondContact OG1-N 3.25Å
270T93.7Very high93.5Very high77 Ų7770.6 Ų70.647%0.47234%0.34SS..  trans-63.1157.3175.345.60000112.1K278T270-K278 HydrophobicContact CG2-CD 4.18Å; T270-K278 HydrophobicContact CG2-CG 3.82Å
271A94.4Very high93.5Very high10 Ų1077.6 Ų77.68%0.08337%0.374CS..  trans-65.7134.4172.600000110.5K274 Y277A271-K274 HydrophobicContact CB-CB 3.97Å; A271-Y277 HydrophobicContact CB-CD1 4.13Å; A271-Y277 PolarHBondContact N-O 3.05Å
272S94.1Very high93.6Very high83 Ų8378.4 Ų78.458%0.5838%0.376SS*.SBendtrans-79.6-41.2177520000111.4E262E262-S272 WeakPolarHBondContact CA-OG 3.2Å; E262-S272 WeakPolarHBondContact CB-OG 3.29Å; E262-S272 PolarHBondContact O-N 3Å; E262-S272 PolarHBondContact O-OG 2.74Å; E262-S272 VanDerWaalsContact O-OG 3.04Å
273L93.5Very high93.6Very high94 Ų9483.3 Ų83.349%0.49240%0.396SS..SBendtrans-88.8-2.3-174.9-61.8175.4000113.8E262 L263E262-L273 HydrophobicContact CB-CD1 4.08Å; E262-L273 HydrophobicContact CB-CG 4.35Å; E262-L273 PolarHBondContact O-N 3.27Å; L263-L273 HydrophobicContact CD2-CB 3.98Å; L263-L273 HydrophobicContact CD2-CD1 3.71Å; L263-L273 HydrophobicContact CG-CD1 3.94Å
274K92.8Very high93.5Very high32 Ų3286.6 Ų86.614%0.13941%0.412CS..SBendtrans-127.6115.6178.3-69.1-175.6-170.5129.90110.5L263 Y264 A271 D276 Y277L263-K274 WeakPolarHBondContact O-CD 3.11Å; L263-K274 VanDerWaalsContact O-CE 3.29Å; L263-K274 WeakPolarHBondContact O-CE 3.37Å; L263-K274 WeakPolarHBondContact O-CG 3.46Å; L263-K274 PolarHBondContact O-NZ 3.47Å; Y264-K274 PolarHBondContact OH-NZ 3.45Å; A271-K274 HydrophobicContact CB-CB 3.97Å; K274-D276 PolarHBondContact O-N 3.01Å; K274-Y277 HydrophobicContact CB-CG 4.46Å; K274-Y277 HydrophobicContact CD-CD1 4.35Å; K274-Y277 HydrophobicContact CD-CG 4.48Å
275K92.3Very high93.3Very high167 Ų16791.7 Ų91.773%0.72644%0.444SS*.THydrogen-bonded Turntrans-53.5131172.2-173172.8-178178.10111.4R121 Y277R121-K275 PolarHBondContact NH1-O 3.29Å; K275-Y277 VanDerWaalsContact C-N 3.31Å; K275-Y277 PolarHBondContact O-N 3.21Å
276D90.9Very high93.2Very high149 Ų14993.8 Ų93.880%0.79745%0.454SS*.THydrogen-bonded Turntrans47.547.7173.2-51.8-32.5000113.5K274K274-D276 PolarHBondContact O-N 3.01Å
277Y94.4Very high93.2Very high18 Ų1896 Ų967%0.07147%0.468CS..  trans-121.9131.2-179.5-169.8-102.4000113R121 C125 Y264 A271 K274 K275R121-Y277 HydrophobicContact CB-CD2 4.29Å; R121-Y277 HydrophobicContact CB-CE2 3.49Å; R121-Y277 VanDerWaalsContact CB-CE2 3.49Å; R121-Y277 HydrophobicContact CG-CD2 4.44Å; R121-Y277 HydrophobicContact CG-CE2 4.11Å; C125-Y277 PolarHBondContact SG-OH 3.49Å; Y264-Y277 AromaticContact CD1-CE1 3.74Å; Y264-Y277 HydrophobicContact CD1-CE1 3.74Å; A271-Y277 HydrophobicContact CB-CD1 4.13Å; A271-Y277 PolarHBondContact N-O 3.05Å; K274-Y277 HydrophobicContact CB-CG 4.46Å; K274-Y277 HydrophobicContact CD-CD1 4.35Å; K274-Y277 HydrophobicContact CD-CG 4.48Å; K275-Y277 VanDerWaalsContact C-N 3.31Å; K275-Y277 PolarHBondContact O-N 3.21Å
278K93.4Very high93.3Very high126 Ų12696 Ų9655%0.54847%0.474SS..  trans-126.9156.6166.3-71.9-173.7177.2-178.20109.7T270T270-K278 HydrophobicContact CG2-CD 4.18Å; T270-K278 HydrophobicContact CG2-CG 3.82Å
279L94.1Very high93.5Very high6 Ų689.1 Ų89.13%0.03146%0.455CS..PPolyproline II helixtrans-61.3144.5173.2-73.9176.4000111.3A26 V27 G265 W267A26-L279 HydrophobicContact CB-CD1 3.66Å; V27-L279 HydrophobicContact CB-CD2 4.38Å; V27-L279 HydrophobicContact CG2-CD2 4.23Å; G265-L279 WeakPolarHBondContact O-CD1 3.28Å; W267-L279 HydrophobicContact CD2-CB 4.38Å; W267-L279 HydrophobicContact CD2-CD1 4.21Å; W267-L279 HydrophobicContact CE3-CD1 4.31Å; W267-L279 HydrophobicContact CG-CB 4.4Å; W267-L279 HydrophobicContact CH2-CD1 4.37Å; W267-L279 HydrophobicContact CZ2-CB 4.47Å; W267-L279 HydrophobicContact CZ2-CD1 4.27Å; W267-L279 HydrophobicContact CZ3-CD1 4.38Å
280P95.4Very high93.6Very high27 Ų2784.7 Ų84.718%0.17544%0.443CS..PPolyproline II helixtrans-63.3138.417626.6-33.9000110.7P31 Y122 W267P31-P280 HydrophobicContact CG-CB 4.19Å; P31-P280 HydrophobicContact CG-CG 4.03Å; Y122-P280 HydrophobicContact CD2-CB 3.89Å; Y122-P280 HydrophobicContact CD2-CG 3.45Å; Y122-P280 VanDerWaalsContact CD2-CG 3.45Å; Y122-P280 HydrophobicContact CE2-CB 3.77Å; Y122-P280 HydrophobicContact CE2-CG 3.48Å; Y122-P280 VanDerWaalsContact CE2-CG 3.48Å; Y122-P280 HydrophobicContact CG-CB 4.42Å; Y122-P280 HydrophobicContact CG-CG 4.33Å; W267-P280 PolarHBondContact NE1-O 2.84Å
281M94.7Very high93.7Very high146 Ų14689.6 Ų89.672%0.71945%0.453SS*.PPolyproline II helixtrans-74.2146.8177.7-67.9-61.2-74.600111.6W267W267-M281 HydrophobicContact CG-SD 4.43Å
282H94.3Very high93.7Very high72 Ų7291.5 Ų91.533%0.33346%0.461SS..PPolyproline II helixtrans-72.9133172.1-67.3-87.1000110.4R29 W267 M284R29-H282 PolarHBondContact O-CE1 3.37Å; R29-H282 PolarHBondContact O-NE2 3.06Å; R29-H282 VanDerWaalsContact O-NE2 3.1Å; W267-H282 AromaticContact CH2-NE2 3.68Å; W267-H282 AromaticContact CZ2-CD2 3.82Å; W267-H282 AromaticContact CZ2-NE2 3.28Å; W267-H282 VanDerWaalsContact CZ2-NE2 3.28Å; W267-H282 WeakPolarHBondContact CZ2-NE2 3.23Å; H282-M284 VanDerWaalsContact C-N 3.31Å
283K95Very high93.8Very high204 Ų20492.5 Ų92.589%0.88746%0.46SS*.SBendtrans-70.3-32.3168.3-71.2-175.5173.7-70.10112.1
284M93.1Very high93.9Very high80 Ų8095.4 Ų95.439%0.39447%0.468SS..  trans-134.8124.5178.9-171.9179.7-172.900108.1H282 N286 L289 I292H282-M284 VanDerWaalsContact C-N 3.31Å; M284-N286 WeakPolarHBondContact CE-O 3.37Å; M284-N286 VanDerWaalsContact CG-O 3.26Å; M284-N286 WeakPolarHBondContact CG-O 3.23Å; M284-N286 VanDerWaalsContact SD-O 3.36Å; M284-L289 HydrophobicContact CE-CD2 3.44Å; M284-L289 VanDerWaalsContact CE-CD2 3.44Å; M284-L289 HydrophobicContact SD-CD2 4.17Å; M284-I292 HydrophobicContact CE-CD1 3.33Å
285T90.7Very high94.1Very high115 Ų11595.2 Ų95.271%0.70647%0.471SS*.SBendtrans-74.8-42.2-17550.50000112.1M1M1-T285 PolarHBondContact N-O 3.38Å
286N91.1Very high94.4Very high46 Ų4695.1 Ų95.125%0.24647%0.473CS..  trans-109.4112.8173.4-179.27.3000109.7M284 D288 I292M284-N286 WeakPolarHBondContact CE-O 3.37Å; M284-N286 VanDerWaalsContact CG-O 3.26Å; M284-N286 WeakPolarHBondContact CG-O 3.23Å; M284-N286 VanDerWaalsContact SD-O 3.36Å; N286-D288 WeakPolarHBondContact OD1-CB 3.36Å; N286-D288 PolarHBondContact OD1-N 3.03Å; N286-I292 HydrophobicContact CB-CD1 4.18Å; N286-I292 WeakPolarHBondContact O-CD1 3.5Å
287T92.3Very high94.6Very high91 Ų9195.2 Ų95.256%0.55847%0.469SS*.  trans-91.1-1-178.954.50000113.5L289T287-L289 PolarHBondContact O-N 3.41Å; T287-L289 VanDerWaalsContact O-N 3.12Å
288D94.1Very high94.7Very high77 Ų7797.1 Ų97.141%0.41248%0.48SS..  trans-82.287.5175-173.1-8.4000110.3N286 S290 R291 I292N286-D288 WeakPolarHBondContact OD1-CB 3.36Å; N286-D288 PolarHBondContact OD1-N 3.03Å; D288-S290 PolarHBondContact O-N 3.04Å; D288-S290 WeakPolarHBondContact OD1-CB 3.14Å; D288-S290 PolarHBondContact OD1-N 3.05Å; D288-S290 VanDerWaalsContact OD1-N 3.1Å; D288-R291 HydrophobicContact CB-CB 4.12Å; D288-R291 PolarHBondContact O-N 3.48Å; D288-R291 PolarHBondContact OD1-N 3.42Å; D288-R291 WeakPolarHBondContact OD2-CB 3.33Å; D288-I292 WeakPolarHBondContact O-CG1 3.46Å; D288-I292 PolarHBondContact O-N 3.41Å; D288-I292 VanDerWaalsContact O-N 3.14Å
289L95Very high94.9Very high100 Ų10096 Ų9652%0.52448%0.476SS..Hα-helixtrans-63.1-31.6177.7-64.7175.1000112.2M284 T287 I292 L293M284-L289 HydrophobicContact CE-CD2 3.44Å; M284-L289 VanDerWaalsContact CE-CD2 3.44Å; M284-L289 HydrophobicContact SD-CD2 4.17Å; T287-L289 PolarHBondContact O-N 3.41Å; T287-L289 VanDerWaalsContact O-N 3.12Å; L289-I292 PolarHBondContact O-N 3.34Å; L289-L293 VanDerWaalsContact O-CB 3.28Å; L289-L293 WeakPolarHBondContact O-CB 3.35Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.25Å
290S96Very high95Very high59 Ų59105 Ų10541%0.41352%0.515SS..Hα-helixtrans-64.4-45.2178.91770000110.2D288 K294D288-S290 PolarHBondContact O-N 3.04Å; D288-S290 WeakPolarHBondContact OD1-CB 3.14Å; D288-S290 PolarHBondContact OD1-N 3.05Å; D288-S290 VanDerWaalsContact OD1-N 3.1Å; S290-K294 VanDerWaalsContact O-CB 3.31Å; S290-K294 WeakPolarHBondContact O-CB 3.15Å; S290-K294 VanDerWaalsContact O-CG 3.23Å; S290-K294 WeakPolarHBondContact O-CG 3.28Å; S290-K294 PolarHBondContact O-N 2.96Å
291R95.2Very high95.1Very high180 Ų180108 Ų10868%0.67954%0.542SS*.Hα-helixtrans-63.2-44.4175.3-176.3176.5179.9175.22112.2D288 K294 S295D288-R291 HydrophobicContact CB-CB 4.12Å; D288-R291 PolarHBondContact O-N 3.48Å; D288-R291 PolarHBondContact OD1-N 3.42Å; D288-R291 WeakPolarHBondContact OD2-CB 3.33Å; R291-K294 PolarHBondContact O-N 2.8Å; R291-S295 PolarHBondContact O-N 3.39Å
292I95.4Very high95.2Very high50 Ų50105.9 Ų105.926%0.25653%0.533SS..Hα-helixtrans-62.6-51.5178.7-65.9165.9000110.1M284 N286 D288 L289 K294 S295 I298M284-I292 HydrophobicContact CE-CD1 3.33Å; N286-I292 HydrophobicContact CB-CD1 4.18Å; N286-I292 WeakPolarHBondContact O-CD1 3.5Å; D288-I292 WeakPolarHBondContact O-CG1 3.46Å; D288-I292 PolarHBondContact O-N 3.41Å; D288-I292 VanDerWaalsContact O-N 3.14Å; L289-I292 PolarHBondContact O-N 3.34Å; I292-K294 PolarHBondContact O-N 3.14Å; I292-S295 VanDerWaalsContact O-CB 3.25Å; I292-S295 WeakPolarHBondContact O-CB 3.45Å; I292-S295 PolarHBondContact O-N 3.2Å; I292-S295 VanDerWaalsContact O-N 3.08Å; I292-S295 PolarHBondContact O-OG 3.07Å; I292-I298 HydrophobicContact CG2-CD1 3.62Å; I292-I298 VanDerWaalsContact O-CD1 3.23Å; I292-I298 WeakPolarHBondContact O-CD1 3.3Å
293L95.6Very high95.3Very high104 Ų104112.9 Ų112.955%0.54556%0.556SS.*Hα-helixtrans-63.6-29.3-177.2-69.6172.2000112.8L289 Q299L289-L293 VanDerWaalsContact O-CB 3.28Å; L289-L293 WeakPolarHBondContact O-CB 3.35Å; L289-L293 WeakPolarHBondContact O-CG 3.31Å; L289-L293 PolarHBondContact O-N 3.25Å; L293-Q299 PolarHBondContact O-NE2 3.14Å
294K96.7Very high95.3Very high154 Ų154107.3 Ų107.367%0.6755%0.549SS*.THydrogen-bonded Turntrans-89.61.4177.9-67175.9-178.6-178.80114.1S290 R291 I292S290-K294 VanDerWaalsContact O-CB 3.31Å; S290-K294 WeakPolarHBondContact O-CB 3.15Å; S290-K294 VanDerWaalsContact O-CG 3.23Å; S290-K294 WeakPolarHBondContact O-CG 3.28Å; S290-K294 PolarHBondContact O-N 2.96Å; R291-K294 PolarHBondContact O-N 2.8Å; I292-K294 PolarHBondContact O-N 3.14Å
295S97.1Very high95.4Very high29 Ų29108.1 Ų108.120%0.20356%0.56CS.*  trans-64144.517865.30000111.5R291 I292 E297 I298 Q299R291-S295 PolarHBondContact O-N 3.39Å; I292-S295 VanDerWaalsContact O-CB 3.25Å; I292-S295 WeakPolarHBondContact O-CB 3.45Å; I292-S295 PolarHBondContact O-N 3.2Å; I292-S295 VanDerWaalsContact O-N 3.08Å; I292-S295 PolarHBondContact O-OG 3.07Å; S295-E297 VanDerWaalsContact C-N 3.26Å; S295-E297 VanDerWaalsContact CB-OE2 3.29Å; S295-E297 WeakPolarHBondContact CB-OE2 3.48Å; S295-E297 PolarHBondContact O-N 3.19Å; S295-I298 PolarHBondContact O-N 2.84Å; S295-Q299 WeakPolarHBondContact O-CG 3.48Å; S295-Q299 PolarHBondContact O-N 3.28Å
296E97.3Very high95.7Very high165 Ų165108.9 Ų108.977%0.77156%0.56SS**Hα-helixtrans-63.3-36.8-176.3-68.1-178.218000111.4I298 Q299 K300E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.13Å; E296-Q299 PolarHBondContact O-N 3.02Å; E296-K300 VanDerWaalsContact O-CB 3.24Å; E296-K300 WeakPolarHBondContact O-CB 3.45Å; E296-K300 PolarHBondContact O-N 3.41Å
297E96.3Very high95.9Very high151 Ų151115.3 Ų115.371%0.70659%0.586SS**Hα-helixtrans-60-41.4178.6-55.589.8157.500111.1S295S295-E297 VanDerWaalsContact C-N 3.26Å; S295-E297 VanDerWaalsContact CB-OE2 3.29Å; S295-E297 WeakPolarHBondContact CB-OE2 3.48Å; S295-E297 PolarHBondContact O-N 3.19Å
298I96.6Very high96Very high58 Ų58118.7 Ų118.730%0.29759%0.593SS.*Hα-helixtrans-74.6-48.5175.3-73.4169.7000110.4I292 S295 E296 K300 A301 L302I292-I298 HydrophobicContact CG2-CD1 3.62Å; I292-I298 VanDerWaalsContact O-CD1 3.23Å; I292-I298 WeakPolarHBondContact O-CD1 3.3Å; S295-I298 PolarHBondContact O-N 2.84Å; E296-I298 VanDerWaalsContact C-N 3.29Å; E296-I298 PolarHBondContact O-N 3.13Å; I298-K300 VanDerWaalsContact C-N 3.28Å; I298-K300 PolarHBondContact O-N 3.09Å; I298-A301 PolarHBondContact O-N 3.25Å; I298-A301 VanDerWaalsContact O-N 3.1Å; I298-L302 HydrophobicContact CG2-CD1 3.74Å; I298-L302 HydrophobicContact CG2-CG 4.16Å; I298-L302 WeakPolarHBondContact O-CG 3.43Å; I298-L302 PolarHBondContact O-N 2.93Å
299Q96.8Very high96.1Very high103 Ų103121.1 Ų121.148%0.48160%0.604SS.*Hα-helixtrans-61.2-35.4-176-70-62.4-46.600112.6L293 S295 E296 A301 L302L293-Q299 PolarHBondContact O-NE2 3.14Å; S295-Q299 WeakPolarHBondContact O-CG 3.48Å; S295-Q299 PolarHBondContact O-N 3.28Å; E296-Q299 PolarHBondContact O-N 3.02Å; Q299-A301 VanDerWaalsContact C-N 3.28Å; Q299-A301 PolarHBondContact O-N 3.27Å; Q299-L302 PolarHBondContact O-N 3.43Å
300K97.1Very high96.1Very high195 Ų195125.1 Ų125.185%0.84862%0.617SS**Hα-helixtrans-64.6-30.2177-172.4175.1-179.3178.60113.2E296 I298E296-K300 VanDerWaalsContact O-CB 3.24Å; E296-K300 WeakPolarHBondContact O-CB 3.45Å; E296-K300 PolarHBondContact O-N 3.41Å; I298-K300 VanDerWaalsContact C-N 3.28Å; I298-K300 PolarHBondContact O-N 3.09Å
301A96.9Very high96Very high89 Ų89131.9 Ų131.974%0.73663%0.634SS**Hα-helixtrans-89-10.2179.400000113.5I298 Q299I298-A301 PolarHBondContact O-N 3.25Å; I298-A301 VanDerWaalsContact O-N 3.1Å; Q299-A301 VanDerWaalsContact C-N 3.28Å; Q299-A301 PolarHBondContact O-N 3.27Å
302L96.8Very high96Very high101 Ų101134.7 Ų134.753%0.52964%0.644SS.*PPolyproline II helixtrans-88136.7-177.1-71.2175.8000111.9I298 Q299I298-L302 HydrophobicContact CG2-CD1 3.74Å; I298-L302 HydrophobicContact CG2-CG 4.16Å; I298-L302 WeakPolarHBondContact O-CG 3.43Å; I298-L302 PolarHBondContact O-N 2.93Å; Q299-L302 PolarHBondContact O-N 3.43Å
303R95.9Very high95.9Very high219 Ų219138.5 Ų138.583%0.82667%0.669SS**PPolyproline II helixtrans-68.6157.7165.766.4178.2-178.5145-2.2111.5
304A95.6Very high95.9Very high88 Ų88139.8 Ų139.873%0.72768%0.676SS**PPolyproline II helixtrans-56.8137.4174.700000112.2N306A304-N306 PolarHBondContact O-N 3.41Å
305P95.8Very high95.8Very high97 Ų97141.9 Ų141.963%0.6369%0.685SS**PPolyproline II helixtrans-71.3126.7-177.427.6-34.1000111.4K307P305-K307 HydrophobicContact CB-CG 4.42Å; P305-K307 PolarHBondContact O-N 2.98Å; P305-K307 VanDerWaalsContact O-N 3.13Å
306N95Very high95.7Very high131 Ų131145.7 Ų145.770%0.70170%0.698SS**  trans-80.495.4173.1-172.3-6.2000110.9A304 K308A304-N306 PolarHBondContact O-N 3.41Å; N306-K308 VanDerWaalsContact C-N 3.32Å; N306-K308 WeakPolarHBondContact OD1-CB 2.98Å; N306-K308 PolarHBondContact OD1-N 3.22Å; N306-K308 VanDerWaalsContact OD1-N 3.11Å
307K95.8Very high95.7Very high181 Ų181141.5 Ų141.579%0.78768%0.681SS**  trans-87.86.2179.4-60.8178.8-177.7175.20113.6P305 I309P305-K307 HydrophobicContact CB-CG 4.42Å; P305-K307 PolarHBondContact O-N 2.98Å; P305-K307 VanDerWaalsContact O-N 3.13Å; K307-I309 PolarHBondContact O-N 3.36Å
308K95.9Very high95.6Very high162 Ų162135.9 Ų135.970%0.70466%0.658SS**  trans-79.2103.5-177.1-172.3174.8-177.7171.60111.1N306 K310N306-K308 VanDerWaalsContact C-N 3.32Å; N306-K308 WeakPolarHBondContact OD1-CB 2.98Å; N306-K308 PolarHBondContact OD1-N 3.22Å; N306-K308 VanDerWaalsContact OD1-N 3.11Å; K308-K310 PolarHBondContact O-N 3.28Å
309I95.3Very high95.4Very high127 Ų127139.9 Ų139.965%0.65168%0.679SS**  trans-77.7105.7172.9-56.1174.8000109.2K307 R311K307-I309 PolarHBondContact O-N 3.36Å; I309-R311 HydrophobicContact CG2-CG 4.27Å; I309-R311 PolarHBondContact O-N 3.25Å
310K94.3Very high95.2Very high184 Ų184144 Ų14480%0.870%0.695SS**  trans-77.497.2173.2-68.5-176.7-178.4178.30109.6K308K308-K310 PolarHBondContact O-N 3.28Å
311R94.8Very high95.1Very high201 Ų201137.1 Ų137.176%0.75867%0.668SS**PPolyproline II helixtrans-75148.4172.7-65.7-172.4176.697.4-1.4110.5I309 V313I309-R311 HydrophobicContact CG2-CG 4.27Å; I309-R311 PolarHBondContact O-N 3.25Å; R311-V313 PolarHBondContact O-N 3.37Å; R311-V313 VanDerWaalsContact O-N 3.12Å
312R95.6Very high94.9Very high240 Ų240136.7 Ų136.791%0.90665%0.653SS**PPolyproline II helixtrans-58.4117.6171.6-174.517870.8167.50.7108.8
313V93.4Very high94.8Very high129 Ų129140.3 Ų140.378%0.78266%0.664SS**PPolyproline II helixtrans-83.1122.8173.5-1790000107.6R311 K315R311-V313 PolarHBondContact O-N 3.37Å; R311-V313 VanDerWaalsContact O-N 3.12Å; V313-K315 PolarHBondContact O-N 3.08Å
314L95Very high94.7Very high131 Ų131131.9 Ų131.969%0.68664%0.635SS**PPolyproline II helixtrans-61.8121.4172.7179.265.8000108.9K316L314-K316 PolarHBondContact O-N 2.91Å
315K95.1Very high94.7Very high199 Ų199129.8 Ų129.887%0.86561%0.611SS**  trans-68.397173.2-172.9178.7-179.6-178.90108.5V313V313-K315 PolarHBondContact O-N 3.08Å
316K95.3Very high94.6Very high109 Ų109127.7 Ų127.747%0.47459%0.594SS.*  trans-75135.1173.5-69.3-177.5-178.2-174.40108.8L314 P318 I324L314-K316 PolarHBondContact O-N 2.91Å; K316-P318 VanDerWaalsContact O-CD 3.3Å; K316-P318 WeakPolarHBondContact O-CD 3.32Å; K316-I324 HydrophobicContact CB-CB 4.5Å; K316-I324 HydrophobicContact CB-CD1 4.19Å; K316-I324 HydrophobicContact CB-CG1 3.73Å; K316-I324 HydrophobicContact CD-CD1 4.13Å; K316-I324 HydrophobicContact CD-CG1 4.02Å; K316-I324 HydrophobicContact CG-CG1 4.47Å
317N95.4Very high94.6Very high76 Ų76130 Ų13041%0.40660%0.598SS.*  trans-66.4118.2178.3-176-18.9000110.1L319 K320 N321N317-L319 VanDerWaalsContact C-N 3.3Å; N317-L319 PolarHBondContact O-N 3.36Å; N317-L319 WeakPolarHBondContact OD1-CB 3.47Å; N317-L319 PolarHBondContact OD1-N 3.04Å; N317-K320 HydrophobicContact CB-CB 4.44Å; N317-K320 PolarHBondContact O-N 3.41Å; N317-N321 VanDerWaalsContact O-CB 3.31Å; N317-N321 WeakPolarHBondContact O-CB 3.25Å; N317-N321 PolarHBondContact O-N 3.38Å
318P94.3Very high94.6Very high33 Ų33127.2 Ų127.221%0.21459%0.591CS.*THydrogen-bonded Turntrans-63.3-33-179.2-2032.3000113.1K316 K320 N321 I324 M325 L328K316-P318 VanDerWaalsContact O-CD 3.3Å; K316-P318 WeakPolarHBondContact O-CD 3.32Å; P318-K320 VanDerWaalsContact C-N 3.27Å; P318-K320 PolarHBondContact O-N 3.49Å; P318-N321 CarbonylContact O-C 3.59Å; P318-N321 PolarHBondContact O-N 2.86Å; P318-I324 HydrophobicContact CB-CG2 4.3Å; P318-I324 HydrophobicContact CG-CG2 4.06Å; P318-M325 HydrophobicContact CB-CB 4.21Å; P318-M325 HydrophobicContact CB-CE 3.81Å; P318-M325 HydrophobicContact CB-SD 4.03Å; P318-M325 WeakPolarHBondContact O-CB 3.32Å; P318-L328 HydrophobicContact CB-CD1 4.27Å; P318-L328 HydrophobicContact CG-CD1 3.63Å
319L93.3Very high94.5Very high143 Ų143123 Ų12375%0.74958%0.576SS**THydrogen-bonded Turntrans-65.6-33.6-179.7-59.3173.7000111.9N317 M325N317-L319 VanDerWaalsContact C-N 3.3Å; N317-L319 PolarHBondContact O-N 3.36Å; N317-L319 WeakPolarHBondContact OD1-CB 3.47Å; N317-L319 PolarHBondContact OD1-N 3.04Å; L319-M325 HydrophobicContact CD2-CE 3.71Å; L319-M325 HydrophobicContact CG-CE 4.49Å
320K92.8Very high94.5Very high189 Ų189121.7 Ų121.782%0.82258%0.576SS**THydrogen-bonded Turntrans-93.1-20.2177.4-61.2-171.4178.3-173.60113N317 P318N317-K320 HydrophobicContact CB-CB 4.44Å; N317-K320 PolarHBondContact O-N 3.41Å; P318-K320 VanDerWaalsContact C-N 3.27Å; P318-K320 PolarHBondContact O-N 3.49Å
321N94.3Very high94.5Very high50 Ų50120.5 Ų120.527%0.26757%0.568SS.*  trans-121.2101.1-175.8-166.1-50.7000112.1N317 P318 K323 I324 M325N317-N321 VanDerWaalsContact O-CB 3.31Å; N317-N321 WeakPolarHBondContact O-CB 3.25Å; N317-N321 PolarHBondContact O-N 3.38Å; P318-N321 CarbonylContact O-C 3.59Å; P318-N321 PolarHBondContact O-N 2.86Å; N321-K323 VanDerWaalsContact C-N 3.33Å; N321-K323 PolarHBondContact O-N 2.92Å; N321-K323 PolarHBondContact OD1-N 3.44Å; N321-I324 HydrophobicContact CB-CB 4.25Å; N321-I324 HydrophobicContact CB-CG1 4.17Å; N321-I324 PolarHBondContact O-N 3.46Å; N321-I324 VanDerWaalsContact O-N 3.09Å; N321-I324 PolarHBondContact OD1-N 2.99Å; N321-M325 PolarHBondContact O-N 2.96Å
322L92.5Very high94.4Very high81 Ų81111.9 Ų111.942%0.42454%0.539SS..Hα-helixtrans-56.1-42-177-178.564.6000113.1I324 M325 L326L322-I324 PolarHBondContact O-N 3.06Å; L322-M325 WeakPolarHBondContact O-CB 3.3Å; L322-M325 PolarHBondContact O-N 3.38Å; L322-L326 HydrophobicContact CD1-CD1 4.18Å; L322-L326 HydrophobicContact CD1-CD2 4.24Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 4Å; L322-L326 HydrophobicContact CG-CG 4.15Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 2.91Å
323K94.7Very high94.3Very high176 Ų176107.4 Ų107.477%0.76553%0.526SS*.Hα-helixtrans-62.8-34.2-178.6-69.5-175.2178.2-1800112N321 K327N321-K323 VanDerWaalsContact C-N 3.33Å; N321-K323 PolarHBondContact O-N 2.92Å; N321-K323 PolarHBondContact OD1-N 3.44Å; K323-K327 VanDerWaalsContact O-CB 3.29Å; K323-K327 WeakPolarHBondContact O-CB 3.28Å; K323-K327 PolarHBondContact O-N 3.39Å
324I94.9Very high94.3Very high43 Ų43104.1 Ų104.122%0.22151%0.507CS..Hα-helixtrans-76.6-40.3177.7-60.6-74.1000110.1K316 P318 N321 L322 L326 K327 L328K316-I324 HydrophobicContact CB-CB 4.5Å; K316-I324 HydrophobicContact CB-CD1 4.19Å; K316-I324 HydrophobicContact CB-CG1 3.73Å; K316-I324 HydrophobicContact CD-CD1 4.13Å; K316-I324 HydrophobicContact CD-CG1 4.02Å; K316-I324 HydrophobicContact CG-CG1 4.47Å; P318-I324 HydrophobicContact CB-CG2 4.3Å; P318-I324 HydrophobicContact CG-CG2 4.06Å; N321-I324 HydrophobicContact CB-CB 4.25Å; N321-I324 HydrophobicContact CB-CG1 4.17Å; N321-I324 PolarHBondContact O-N 3.46Å; N321-I324 VanDerWaalsContact O-N 3.09Å; N321-I324 PolarHBondContact OD1-N 2.99Å; L322-I324 PolarHBondContact O-N 3.06Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.37Å; I324-K327 PolarHBondContact O-N 3.29Å; I324-L328 HydrophobicContact CG2-CD1 3.86Å; I324-L328 HydrophobicContact CG2-CG 4.42Å; I324-L328 WeakPolarHBondContact O-CB 3.4Å; I324-L328 VanDerWaalsContact O-CG 3.28Å; I324-L328 WeakPolarHBondContact O-CG 3.25Å; I324-L328 PolarHBondContact O-N 3.46Å
325M95.3Very high94.1Very high44 Ų4499.9 Ų99.922%0.21749%0.49CS..Hα-helixtrans-57-47.4171.6-174.461.284.100111.5P318 L319 N321 L322 K327 L328 N329 A332P318-M325 HydrophobicContact CB-CB 4.21Å; P318-M325 HydrophobicContact CB-CE 3.81Å; P318-M325 HydrophobicContact CB-SD 4.03Å; P318-M325 WeakPolarHBondContact O-CB 3.32Å; L319-M325 HydrophobicContact CD2-CE 3.71Å; L319-M325 HydrophobicContact CG-CE 4.49Å; N321-M325 PolarHBondContact O-N 2.96Å; L322-M325 WeakPolarHBondContact O-CB 3.3Å; L322-M325 PolarHBondContact O-N 3.38Å; M325-K327 VanDerWaalsContact C-N 3.35Å; M325-K327 PolarHBondContact O-N 3.33Å; M325-L328 PolarHBondContact O-N 2.75Å; M325-N329 CarbonylContact O-C 3.5Å; M325-N329 WeakPolarHBondContact O-CA 3.31Å; M325-N329 PolarHBondContact O-N 3.02Å; M325-A332 HydrophobicContact CG-CB 3.57Å; M325-A332 HydrophobicContact SD-CB 4.28Å
326L94.6Very high93.7Very high53 Ų5397.4 Ų97.428%0.27748%0.476SS..Hα-helixtrans-68.6-33.7180-65-175.1000112.9L322 I324 L328 A332 K333L322-L326 HydrophobicContact CD1-CD1 4.18Å; L322-L326 HydrophobicContact CD1-CD2 4.24Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 4Å; L322-L326 HydrophobicContact CG-CG 4.15Å; L322-L326 VanDerWaalsContact O-CG 3.28Å; L322-L326 WeakPolarHBondContact O-CG 3.41Å; L322-L326 PolarHBondContact O-N 2.91Å; I324-L326 VanDerWaalsContact C-N 3.33Å; I324-L326 PolarHBondContact O-N 3.37Å; L326-L328 VanDerWaalsContact C-N 3.3Å; L326-A332 HydrophobicContact CD2-CB 4.36Å; L326-K333 HydrophobicContact CD2-CB 3.58Å; L326-K333 HydrophobicContact CD2-CG 4.32Å
327K94.3Very high93.3Very high179 Ų17999.2 Ų99.278%0.77848%0.48SS*.Hα-helixtrans-65.9-33.9173.9-176.1175.8-179.5178.50112.1K323 I324 M325K323-K327 VanDerWaalsContact O-CB 3.29Å; K323-K327 WeakPolarHBondContact O-CB 3.28Å; K323-K327 PolarHBondContact O-N 3.39Å; I324-K327 PolarHBondContact O-N 3.29Å; M325-K327 VanDerWaalsContact C-N 3.35Å; M325-K327 PolarHBondContact O-N 3.33Å
328L95Very high93Very high123 Ų123101.5 Ų101.564%0.64449%0.488SS*.Hα-helixtrans-90.2-35.5-179-65.5173.1000112.8P318 I324 M325 L326P318-L328 HydrophobicContact CB-CD1 4.27Å; P318-L328 HydrophobicContact CG-CD1 3.63Å; I324-L328 HydrophobicContact CG2-CD1 3.86Å; I324-L328 HydrophobicContact CG2-CG 4.42Å; I324-L328 WeakPolarHBondContact O-CB 3.4Å; I324-L328 VanDerWaalsContact O-CG 3.28Å; I324-L328 WeakPolarHBondContact O-CG 3.25Å; I324-L328 PolarHBondContact O-N 3.46Å; M325-L328 PolarHBondContact O-N 2.75Å; L326-L328 VanDerWaalsContact C-N 3.3Å
329N95.1Very high92.7Very high72 Ų72102.6 Ų102.639%0.38550%0.5SS..  trans-141.898.5-179.1-176.8-5.6000110.5M325 Y331 A332M325-N329 CarbonylContact O-C 3.5Å; M325-N329 WeakPolarHBondContact O-CA 3.31Å; M325-N329 PolarHBondContact O-N 3.02Å; N329-Y331 VanDerWaalsContact C-N 3.28Å; N329-Y331 PolarHBondContact O-N 3.1Å; N329-Y331 WeakPolarHBondContact OD1-CB 3.33Å; N329-Y331 PolarHBondContact OD1-N 3.29Å; N329-A332 HydrophobicContact CB-CB 4.48Å; N329-A332 WeakPolarHBondContact O-CB 3.1Å; N329-A332 PolarHBondContact O-N 3.37Å; N329-A332 PolarHBondContact OD1-N 3.34Å
330P95Very high92.4Very high101 Ų10199.8 Ų99.866%0.65648%0.484SS*.THydrogen-bonded Turntrans-66.1-28179.625.4-32.5000113.2A332 K333P330-A332 PolarHBondContact O-N 3.17Å; P330-K333 VanDerWaalsContact O-CB 3.31Å; P330-K333 WeakPolarHBondContact O-CB 3.34Å; P330-K333 PolarHBondContact O-N 2.86Å; P330-K333 VanDerWaalsContact O-N 3.11Å
331Y94.6Very high91.9Very high159 Ų15992.5 Ų92.562%0.62445%0.454SS*.Hα-helixtrans-67-19.3177.9-174.5-104.7000112.9N329 K333 T334 A335N329-Y331 VanDerWaalsContact C-N 3.28Å; N329-Y331 PolarHBondContact O-N 3.1Å; N329-Y331 WeakPolarHBondContact OD1-CB 3.33Å; N329-Y331 PolarHBondContact OD1-N 3.29Å; Y331-K333 PolarHBondContact O-N 2.96Å; Y331-K333 VanDerWaalsContact O-N 3.13Å; Y331-T334 WeakPolarHBondContact CD2-OG1 3.34Å; Y331-T334 WeakPolarHBondContact CE2-OG1 3.08Å; Y331-T334 PolarHBondContact O-N 3.45Å; Y331-T334 PolarHBondContact O-OG1 2.84Å; Y331-A335 HydrophobicContact CD1-CB 4.28Å; Y331-A335 HydrophobicContact CE1-CB 4.04Å; Y331-A335 WeakPolarHBondContact O-CB 3.39Å; Y331-A335 PolarHBondContact O-N 3.27Å
332A92.8Very high91.4Very high20 Ų2099 Ų9917%0.16548%0.48CS..Hα-helixtrans-60.1-25.1172.500000112.2M325 L326 N329 P330 R336M325-A332 HydrophobicContact CG-CB 3.57Å; M325-A332 HydrophobicContact SD-CB 4.28Å; L326-A332 HydrophobicContact CD2-CB 4.36Å; N329-A332 HydrophobicContact CB-CB 4.48Å; N329-A332 WeakPolarHBondContact O-CB 3.1Å; N329-A332 PolarHBondContact O-N 3.37Å; N329-A332 PolarHBondContact OD1-N 3.34Å; P330-A332 PolarHBondContact O-N 3.17Å; A332-R336 WeakPolarHBondContact O-CB 3.28Å; A332-R336 PolarHBondContact O-N 3.34Å
333K93.2Very high90.8Very high145 Ų145103.2 Ų103.263%0.6350%0.497SS*.Hα-helixtrans-66.4-50.2175.5-165.8177.5178.5-177.20111.7L326 P330 Y331 R337L326-K333 HydrophobicContact CD2-CB 3.58Å; L326-K333 HydrophobicContact CD2-CG 4.32Å; P330-K333 VanDerWaalsContact O-CB 3.31Å; P330-K333 WeakPolarHBondContact O-CB 3.34Å; P330-K333 PolarHBondContact O-N 2.86Å; P330-K333 VanDerWaalsContact O-N 3.11Å; Y331-K333 PolarHBondContact O-N 2.96Å; Y331-K333 VanDerWaalsContact O-N 3.13Å; K333-R337 WeakPolarHBondContact O-CB 3.46Å; K333-R337 PolarHBondContact O-N 3.03Å
334T92.2Very high90Very high60 Ų6097.8 Ų97.837%0.36848%0.477SS..Hα-helixtrans-67.7-48.3-179.739.60000110.2Y331 R336 R337 H338Y331-T334 WeakPolarHBondContact CD2-OG1 3.34Å; Y331-T334 WeakPolarHBondContact CE2-OG1 3.08Å; Y331-T334 PolarHBondContact O-N 3.45Å; Y331-T334 PolarHBondContact O-OG1 2.84Å; T334-R336 PolarHBondContact O-N 2.97Å; T334-R337 WeakPolarHBondContact O-CB 3.34Å; T334-R337 PolarHBondContact O-N 3.12Å; T334-R337 VanDerWaalsContact O-N 3.14Å; T334-H338 PolarHBondContact O-CD2 3.04Å; T334-H338 PolarHBondContact O-N 3.2Å
335A91.4Very high88.9Confident42 Ų42100.1 Ų100.135%0.34749%0.494SS..Hα-helixtrans-58.4-46.4179.200000112.2Y331 R337 H338 A339Y331-A335 HydrophobicContact CD1-CB 4.28Å; Y331-A335 HydrophobicContact CE1-CB 4.04Å; Y331-A335 WeakPolarHBondContact O-CB 3.39Å; Y331-A335 PolarHBondContact O-N 3.27Å; A335-R337 PolarHBondContact O-N 2.94Å; A335-H338 PolarHBondContact O-N 3.34Å; A335-A339 WeakPolarHBondContact O-CB 3.38Å; A335-A339 PolarHBondContact O-N 2.85Å
336R87.1Confident87.9Confident147 Ų147101 Ų10156%0.55551%0.509SS*.Hα-helixtrans-64.8-38.1176.9-170170.2-178.6159.50.8112.3A332 T334 A339 I340A332-R336 WeakPolarHBondContact O-CB 3.28Å; A332-R336 PolarHBondContact O-N 3.34Å; T334-R336 PolarHBondContact O-N 2.97Å; R336-A339 PolarHBondContact O-N 2.93Å; R336-I340 HydrophobicContact CG-CD1 4.15Å; R336-I340 VanDerWaalsContact O-CG1 3.28Å; R336-I340 WeakPolarHBondContact O-CG1 3.25Å; R336-I340 PolarHBondContact O-N 3.29Å
337R87.8Confident86.7Confident147 Ų147101.7 Ų101.756%0.55551%0.512SS*.Hα-helixtrans-64.2-46.6175.2-174.7176.7-176.81650.6111.7K333 T334 A335 A339 I340 L341K333-R337 WeakPolarHBondContact O-CB 3.46Å; K333-R337 PolarHBondContact O-N 3.03Å; T334-R337 WeakPolarHBondContact O-CB 3.34Å; T334-R337 PolarHBondContact O-N 3.12Å; T334-R337 VanDerWaalsContact O-N 3.14Å; A335-R337 PolarHBondContact O-N 2.94Å; R337-A339 VanDerWaalsContact C-N 3.33Å; R337-A339 PolarHBondContact O-N 3.31Å; R337-I340 PolarHBondContact O-N 2.9Å; R337-L341 HydrophobicContact CG-CD1 4.11Å; R337-L341 VanDerWaalsContact O-CG 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.35Å; R337-L341 PolarHBondContact O-N 3.36Å
338H89Confident85.5Confident125 Ų12598.4 Ų98.458%0.57950%0.498SS*.Hα-helixtrans-61.1-42.2175.5-78.1-71000111.7T334 A335 L341 K342T334-H338 PolarHBondContact O-CD2 3.04Å; T334-H338 PolarHBondContact O-N 3.2Å; A335-H338 PolarHBondContact O-N 3.34Å; H338-L341 PolarHBondContact O-N 3.49Å; H338-K342 WeakPolarHBondContact O-CB 3.17Å; H338-K342 PolarHBondContact O-N 3.01Å
339A86.9Confident84.3Confident56 Ų5695 Ų9546%0.46349%0.488SS..Hα-helixtrans-62.8-44.9177.100000112.7A335 R336 R337 L341 K342 H343A335-A339 WeakPolarHBondContact O-CB 3.38Å; A335-A339 PolarHBondContact O-N 2.85Å; R336-A339 PolarHBondContact O-N 2.93Å; R337-A339 VanDerWaalsContact C-N 3.33Å; R337-A339 PolarHBondContact O-N 3.31Å; A339-L341 PolarHBondContact O-N 3.48Å; A339-K342 PolarHBondContact O-N 3.28Å; A339-H343 WeakPolarHBondContact O-CB 3.45Å; A339-H343 PolarHBondContact O-N 2.86Å
340I86.9Confident83.1Confident83 Ų8399.9 Ų99.943%0.42651%0.505SS..Hα-helixtrans-60.5-46.5175.6-68.8164.5000110.8R336 R337 K342 H343 D344 I347R336-I340 HydrophobicContact CG-CD1 4.15Å; R336-I340 VanDerWaalsContact O-CG1 3.28Å; R336-I340 WeakPolarHBondContact O-CG1 3.25Å; R336-I340 PolarHBondContact O-N 3.29Å; R337-I340 PolarHBondContact O-N 2.9Å; I340-K342 PolarHBondContact O-N 2.85Å; I340-H343 PolarHBondContact O-N 3.14Å; I340-D344 PolarHBondContact O-N 3.36Å; I340-I347 HydrophobicContact CG2-CD1 4.13Å
341L83.4Confident81.7Confident36 Ų36100.5 Ų100.519%0.18850%0.501CS..Hα-helixtrans-65.4-27.1178.1-69.1171.4000113.1R337 H338 A339 I347 K348 M351R337-L341 HydrophobicContact CG-CD1 4.11Å; R337-L341 VanDerWaalsContact O-CG 3.3Å; R337-L341 WeakPolarHBondContact O-CG 3.35Å; R337-L341 PolarHBondContact O-N 3.36Å; H338-L341 PolarHBondContact O-N 3.49Å; A339-L341 PolarHBondContact O-N 3.48Å; L341-I347 HydrophobicContact CD2-CG2 4.19Å; L341-K348 HydrophobicContact CD2-CB 4.18Å; L341-M351 HydrophobicContact CD2-SD 4.01Å
342K83.3Confident80.4Confident186 Ų18699.1 Ų99.181%0.80950%0.504SS*.Hα-helixtrans-79.6-39.2176.5-172.2178.4179.2-178.70111.9H338 A339 I340H338-K342 WeakPolarHBondContact O-CB 3.17Å; H338-K342 PolarHBondContact O-N 3.01Å; A339-K342 PolarHBondContact O-N 3.28Å; I340-K342 PolarHBondContact O-N 2.85Å
343H79.5Confident79.3Confident170 Ų170105.3 Ų105.379%0.78753%0.527SS*.Hα-helixtrans-82.3-29.7-175.5-170.1-72000113.5A339 I340 P345A339-H343 WeakPolarHBondContact O-CB 3.45Å; A339-H343 PolarHBondContact O-N 2.86Å; I340-H343 PolarHBondContact O-N 3.14Å; H343-P345 WeakPolarHBondContact O-CD 3.31Å
344D78.9Confident77.9Confident63 Ų63103.9 Ų103.934%0.33753%0.532SS..  trans-119.992.1178.3-166-19.8000110.6I340 A346 I347 K348I340-D344 PolarHBondContact O-N 3.36Å; D344-A346 PolarHBondContact O-N 3.31Å; D344-A346 WeakPolarHBondContact OD1-CB 3.27Å; D344-A346 PolarHBondContact OD1-N 3.04Å; D344-I347 HydrophobicContact CB-CB 4.33Å; D344-I347 HydrophobicContact CB-CD1 3.89Å; D344-I347 HydrophobicContact CB-CG1 4.07Å; D344-I347 PolarHBondContact O-N 3.08Å; D344-I347 VanDerWaalsContact O-N 3.16Å; D344-I347 VanDerWaalsContact OD2-CD1 3.27Å; D344-I347 WeakPolarHBondContact OD2-CD1 3.49Å; D344-I347 WeakPolarHBondContact OD2-CG1 3.39Å; D344-K348 PolarHBondContact O-N 3.44Å
345P71.8Confident76.6Confident91 Ų91110.7 Ų110.759%0.59156%0.557SS**Hα-helixtrans-61.6-25.1-178.9-18.929.9000112.7H343 K348 A349H343-P345 WeakPolarHBondContact O-CD 3.31Å; P345-K348 PolarHBondContact O-N 3.2Å; P345-A349 VanDerWaalsContact O-CB 3.31Å; P345-A349 WeakPolarHBondContact O-CB 3.32Å; P345-A349 PolarHBondContact O-N 3.01Å
346A73.1Confident75Confident64 Ų64118.3 Ų118.353%0.52958%0.582SS.*Hα-helixtrans-69.6-35.9178.500000111.5D344 K350D344-A346 PolarHBondContact O-N 3.31Å; D344-A346 WeakPolarHBondContact OD1-CB 3.27Å; D344-A346 PolarHBondContact OD1-N 3.04Å; A346-K350 WeakPolarHBondContact O-CB 3.44Å; A346-K350 PolarHBondContact O-N 3.2Å
347I69.8Low73.6Confident66 Ų66122.5 Ų122.534%0.33860%0.598SS.*Hα-helixtrans-68.2-41.8172.6-63.9177.5000110.5I340 L341 D344 K350 M351I340-I347 HydrophobicContact CG2-CD1 4.13Å; L341-I347 HydrophobicContact CD2-CG2 4.19Å; D344-I347 HydrophobicContact CB-CB 4.33Å; D344-I347 HydrophobicContact CB-CD1 3.89Å; D344-I347 HydrophobicContact CB-CG1 4.07Å; D344-I347 PolarHBondContact O-N 3.08Å; D344-I347 VanDerWaalsContact O-N 3.16Å; D344-I347 VanDerWaalsContact OD2-CD1 3.27Å; D344-I347 WeakPolarHBondContact OD2-CD1 3.49Å; D344-I347 WeakPolarHBondContact OD2-CG1 3.39Å; I347-K350 PolarHBondContact O-N 3.41Å; I347-M351 PolarHBondContact O-N 2.82Å
348K69Low72.2Confident110 Ų110121.1 Ų121.148%0.47861%0.608SS.*Hα-helixtrans-61.3-45175-170.5-178.7176.3-173.90111.3L341 D344 P345 M351 L352L341-K348 HydrophobicContact CD2-CB 4.18Å; D344-K348 PolarHBondContact O-N 3.44Å; P345-K348 PolarHBondContact O-N 3.2Å; K348-M351 PolarHBondContact O-N 2.88Å; K348-L352 HydrophobicContact CG-CD1 3.96Å; K348-L352 WeakPolarHBondContact O-CB 3.41Å; K348-L352 WeakPolarHBondContact O-CG 3.33Å; K348-L352 PolarHBondContact O-N 3.16Å
349A68.8Low70.6Confident52 Ų52119.6 Ų119.643%0.4362%0.617SS.*Hα-helixtrans-64.4-38.9175.100000112.5P345 L352 K353P345-A349 VanDerWaalsContact O-CB 3.31Å; P345-A349 WeakPolarHBondContact O-CB 3.32Å; P345-A349 PolarHBondContact O-N 3.01Å; A349-L352 PolarHBondContact O-N 2.79Å; A349-K353 WeakPolarHBondContact O-CG 3.38Å; A349-K353 PolarHBondContact O-N 3.28Å
350K71.1Confident69.1Low174 Ų174126.6 Ų126.676%0.75764%0.637SS**Hα-helixtrans-63.4-37.2172.8-109.9178.6177.5172.80112.9A346 I347A346-K350 WeakPolarHBondContact O-CB 3.44Å; A346-K350 PolarHBondContact O-N 3.2Å; I347-K350 PolarHBondContact O-N 3.41Å
351M64.3Low67.6Low115 Ų115132.2 Ų132.257%0.56766%0.659SS**Hα-helixtrans-76-31.9177.4-82.8-157.2158.100113.4L341 I347 K348L341-M351 HydrophobicContact CD2-SD 4.01Å; I347-M351 PolarHBondContact O-N 2.82Å; K348-M351 PolarHBondContact O-N 2.88Å
352L68.8Low66.2Low130 Ų130134.6 Ų134.668%0.68168%0.684SS**Hα-helixtrans-81.3-18.7178-72168.4000113.2K348 A349K348-L352 HydrophobicContact CG-CD1 3.96Å; K348-L352 WeakPolarHBondContact O-CB 3.41Å; K348-L352 WeakPolarHBondContact O-CG 3.33Å; K348-L352 PolarHBondContact O-N 3.16Å; A349-L352 PolarHBondContact O-N 2.79Å
353K69.7Low65.1Low150 Ų150131.6 Ų131.665%0.65268%0.683SS**SBendtrans-58.7126169.1-84.7-179.9180-176.50108.6A349 K355A349-K353 WeakPolarHBondContact O-CG 3.38Å; A349-K353 PolarHBondContact O-N 3.28Å; K353-K355 PolarHBondContact O-N 2.71Å; K353-K355 VanDerWaalsContact O-N 3.12Å
354P63.6Low64.2Low115 Ų115128.1 Ų128.175%0.74768%0.684SS**  trans-55.7126.1173.622.1-30.5000107.4K356P354-K356 PolarHBondContact O-N 3.24Å
355K64.1Low63.3Low202 Ų202134.4 Ų134.488%0.87871%0.708SS**  trans-53.7108.4167.6-80.6-176.5176.5-179.90105.6K353 R357K353-K355 PolarHBondContact O-N 2.71Å; K353-K355 VanDerWaalsContact O-N 3.12Å; K355-R357 PolarHBondContact O-N 2.93Å
356K57.5Low62.6Low203 Ų203135.9 Ų135.988%0.88372%0.718SS**  trans-51.2110.8168.9-90.3-174.5174.5-177.50105.2P354 P358P354-K356 PolarHBondContact O-N 3.24Å; K356-P358 WeakPolarHBondContact O-CD 3.39Å; K356-P358 VanDerWaalsContact O-N 3.11Å
357R57.7Low62Low234 Ų234142.9 Ų142.988%0.88374%0.736SS**PPolyproline II helixtrans-54.3120.4164.5-80.4180166.8-177.6-3.2104.2K355 A359K355-R357 PolarHBondContact O-N 2.93Å; R357-A359 PolarHBondContact O-N 3.3Å; R357-A359 VanDerWaalsContact O-N 3.1Å
358P58.1Low61.1Low118 Ų118148 Ų14877%0.76679%0.789SS**PPolyproline II helixtrans-54.4126.4166.623.3-29.9000105.9K356 K360K356-P358 WeakPolarHBondContact O-CD 3.39Å; K356-P358 VanDerWaalsContact O-N 3.11Å; P358-K360 PolarHBondContact O-N 3.47Å; P358-K360 VanDerWaalsContact O-N 3.08Å
359A56.2Low60.7Low94 Ų94149.9 Ų149.978%0.77780%0.804SS**PPolyproline II helixtrans-52.1122.8171.500000106.7R357 K361R357-A359 PolarHBondContact O-N 3.3Å; R357-A359 VanDerWaalsContact O-N 3.1Å; A359-K361 PolarHBondContact O-N 3.38Å
360K55.9Low60.2Low203 Ų203155.1 Ų155.188%0.88382%0.824SS**  trans-54.6111.9164.7-84.2-178.1173.4-178.10105.3P358 A362P358-K360 PolarHBondContact O-N 3.47Å; P358-K360 VanDerWaalsContact O-N 3.08Å; K360-A362 PolarHBondContact O-N 3.06Å
361K54.7Low59.6Low200 Ų200154 Ų15487%0.8783%0.828SS**PPolyproline II helixtrans-54123.9157.9-79.3-175175-176.60105.5A359A359-K361 PolarHBondContact O-N 3.38Å
362A54.6Low59.4Low87 Ų87156.3 Ų156.372%0.71984%0.843SS**PPolyproline II helixtrans-52.3135.2169.700000107.9K360 A364K360-A362 PolarHBondContact O-N 3.06Å; A362-A364 PolarHBondContact O-N 2.75Å
363P59.7Low58.8Low122 Ų122157.9 Ų157.979%0.79285%0.853SS**PPolyproline II helixtrans-58.712817124.9-31000107.8K365P363-K365 PolarHBondContact O-N 2.73Å
364A60.7Low58Low97 Ų97158.5 Ų158.580%0.80287%0.866SS**PPolyproline II helixtrans-56.3128.4164.900000107.6A362A362-A364 PolarHBondContact O-N 2.75Å
365K59.5Low57.6Low195 Ų195161.6 Ų161.685%0.84888%0.875SS**PPolyproline II helixtrans-57140.6173.7-74.1-178.8176.6-1790109.2P363 K367P363-K365 PolarHBondContact O-N 2.73Å; K365-K367 PolarHBondContact O-N 3.33Å
366P57.7Low57.1Low123 Ų123158.5 Ų158.580%0.79988%0.875SS**PPolyproline II helixtrans-62129.3173.226.3-31.5000108.9
367K60.3Low57.1Low210 Ų210154.8 Ų154.891%0.91387%0.874SS**PPolyproline II helixtrans-75.1123.6160.4-80.3-171.6174.4-174.50107.1K365K365-K367 PolarHBondContact O-N 3.33Å
368A50.3Low57.1Low174 Ų174147.5 Ų147.5100%1.43887%0.873SS**  trans-630159.300000110.3

Retrieved 368 of 368 residues in 440.9 ms (Link to these results)

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