A0A087Y3H8_POEFO Loading...

Acetyl-CoA acyltransferase 2

AlphaFold DB , UniProt , Accession A0A087Y3H8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 396 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
1M55.1Low91.5Very high231 Ų23145.3 Ų45.3100%1.13825%0.247SC*.  0130.30-82.6179.6172.500108
2A76.9Confident92.1Very high45 Ų4541.7 Ų41.737%0.37223%0.227SC..  trans-82.3-25.7-17700000113.5V280 K306A2-V280 WeakPolarHBondContact CB-O 3.18Å; A2-K306 HydrophobicContact CB-CB 4.06Å
3L92.5Very high92.6Very high16 Ų1640.5 Ų40.58%0.08422%0.219CC..SBendtrans-105.3146.6171.6-77.973.5000109.8R5 V7 A103 I279 V280 Y282L3-R5 WeakPolarHBondContact CB-O 3.36Å; L3-V7 HydrophobicContact CD2-CB 3.96Å; L3-V7 HydrophobicContact CD2-CG2 3.66Å; L3-A103 HydrophobicContact CD2-CB 4.37Å; L3-I279 HydrophobicContact CD2-CG2 4.26Å; L3-V280 VanDerWaalsContact CD1-O 3.31Å; L3-V280 WeakPolarHBondContact CD1-O 3.35Å; L3-Y282 HydrophobicContact CD1-CD1 4.18Å; L3-Y282 HydrophobicContact CD1-CE1 3.78Å; L3-Y282 HydrophobicContact CD2-CE1 4.07Å; L3-Y282 HydrophobicContact CG-CE1 3.96Å
4I93.9Very high93.1Very high132 Ų13237.6 Ų37.668%0.67720%0.203SC*.SBendtrans-79-18-17956.7173.8000113.6C107I4-C107 HydrophobicContact CD1-CB 3.81Å; I4-C107 WeakPolarHBondContact CD1-O 3.39Å; I4-C107 HydrophobicContact CG1-CB 3.48Å; I4-C107 VanDerWaalsContact CG1-CB 3.48Å
5R96.2Very high93.4Very high22 Ų2235.1 Ų35.18%0.08319%0.19CC..SBendtrans-132.8154.2171.3-68177.667.1-168.96.8109.6L3 V7 I106 E112 S264 E266L3-R5 WeakPolarHBondContact CB-O 3.36Å; R5-V7 PolarHBondContact O-N 2.73Å; R5-I106 WeakPolarHBondContact CD-O 3.39Å; R5-I106 PolarHBondContact NH1-O 2.78Å; R5-E112 IonicContact CZ-OE1 2.73Å; R5-E112 IonicContact CZ-OE2 3.52Å; R5-E112 IonicContact NH1-OE1 3.58Å; R5-E112 PolarHBondContact NH1-OE1 3.33Å; R5-E112 IonicContact NH1-OE2 3.94Å; R5-E112 VanDerWaalsContact NH2-CD 3.3Å; R5-E112 IonicContact NH2-OE1 3.36Å; R5-E112 PolarHBondContact NH2-OE1 3.39Å; R5-E112 IonicContact NH2-OE2 3.8Å; R5-E112 PolarHBondContact NH2-OE2 2.67Å; R5-S264 VanDerWaalsContact NH2-CB 3.27Å; R5-S264 PolarHBondContact NH2-OG 3.23Å; R5-E266 IonicContact CZ-OE2 3.18Å; R5-E266 IonicContact NE-OE1 2.66Å; R5-E266 IonicContact NE-OE2 3.21Å; R5-E266 VanDerWaalsContact NH2-CD 3.29Å; R5-E266 IonicContact NH2-OE1 2.76Å; R5-E266 IonicContact NH2-OE2 2.85Å; R5-E266 PolarHBondContact NH2-OE2 3.37Å
6G97.5Very high93.8Very high19 Ų1932.9 Ų32.920%0.19618%0.178CC..  trans-66.1125.8169.100000110.4E265G6-E265 PolarHBondContact O-N 2.86Å
7V98.7Very high94.1Very high1 Ų131 Ų311%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-122.6127.9176.6-176.60000108.8L3 R5 A103 I106 I262 I279L3-V7 HydrophobicContact CD2-CB 3.96Å; L3-V7 HydrophobicContact CD2-CG2 3.66Å; R5-V7 PolarHBondContact O-N 2.73Å; V7-A103 HydrophobicContact CG1-CB 4.27Å; V7-A103 HydrophobicContact CG2-CB 4.47Å; V7-I106 HydrophobicContact CG1-CD1 4.02Å; V7-I106 HydrophobicContact CG2-CB 4.24Å; V7-I106 HydrophobicContact CG2-CG2 3.83Å; V7-I262 HydrophobicContact CG1-CB 4.28Å; V7-I262 HydrophobicContact CG1-CD1 4.15Å; V7-I279 HydrophobicContact CB-CB 4.46Å; V7-I279 HydrophobicContact CG1-CD1 3.92Å; V7-I279 HydrophobicContact CG1-CG1 4.49Å; V7-I279 PolarHBondContact O-N 3.02Å
8F98.9Very high94.3Very high25 Ų2529.3 Ų29.311%0.1116%0.158CC..EExtended strand (participates in β ladder)trans-127.5140.1-170.2-62.8-94.4000111.2I262 S263 E265 L268 P275 A277 R278F8-I262 CarbonylContact O-C 3.52Å; F8-I262 WeakPolarHBondContact O-CA 3.48Å; F8-S263 PolarHBondContact N-O 3.04Å; F8-S263 PolarHBondContact O-N 2.93Å; F8-E265 HydrophobicContact CE2-CB 3.82Å; F8-E265 HydrophobicContact CE2-CG 3.93Å; F8-E265 HydrophobicContact CZ-CG 4.42Å; F8-L268 HydrophobicContact CB-CD1 3.78Å; F8-L268 HydrophobicContact CB-CD2 4.34Å; F8-L268 HydrophobicContact CB-CG 4.37Å; F8-L268 HydrophobicContact CD1-CD1 4.01Å; F8-L268 HydrophobicContact CD2-CD1 3.46Å; F8-L268 VanDerWaalsContact CD2-CD1 3.46Å; F8-L268 HydrophobicContact CD2-CG 4.29Å; F8-L268 HydrophobicContact CE1-CD1 4.45Å; F8-L268 HydrophobicContact CE2-CD1 3.98Å; F8-L268 HydrophobicContact CG-CD1 3.48Å; F8-L268 VanDerWaalsContact CG-CD1 3.48Å; F8-L268 HydrophobicContact CG-CG 4.45Å; F8-L268 HydrophobicContact CZ-CD1 4.44Å; F8-P275 HydrophobicContact CB-CB 4.21Å; F8-P275 HydrophobicContact CD1-CB 3.92Å; F8-P275 HydrophobicContact CG-CB 4.36Å; F8-A277 CarbonylContact C-O 3.54Å; F8-A277 WeakPolarHBondContact CA-O 3.43Å; F8-R278 HydrophobicContact CD1-CB 3.83Å; F8-R278 HydrophobicContact CD1-CG 4Å; F8-R278 HydrophobicContact CE1-CB 3.79Å; F8-R278 HydrophobicContact CE1-CG 3.71Å; F8-R278 HydrophobicContact CZ-CG 4.09Å
9I98.9Very high94.6Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-85.6121.9169-60.9168.1000107.3A11 A12 L260 I262 L276 A277 I279 T362 V366 L393I9-A11 WeakPolarHBondContact CG2-O 3.41Å; I9-A12 HydrophobicContact CG2-CB 4.23Å; I9-L260 HydrophobicContact CD1-CD2 4.09Å; I9-L260 HydrophobicContact CG1-CD2 4.5Å; I9-L260 HydrophobicContact CG2-CD2 4.09Å; I9-I262 HydrophobicContact CG1-CG2 3.93Å; I9-L276 WeakPolarHBondContact O-CB 3.44Å; I9-L276 PolarHBondContact O-N 3.5Å; I9-A277 PolarHBondContact N-O 3.06Å; I9-A277 PolarHBondContact O-N 3.32Å; I9-I279 HydrophobicContact CD1-CG1 4.41Å; I9-I279 HydrophobicContact CG1-CD1 4.46Å; I9-I279 HydrophobicContact CG1-CG1 4.31Å; I9-T362 HydrophobicContact CD1-CG2 3.86Å; I9-V366 HydrophobicContact CD1-CG2 3.63Å; I9-V366 HydrophobicContact CG2-CG2 4.29Å; I9-L393 HydrophobicContact CD1-CD2 3.77Å
10V98.8Very high94.8Very high5 Ų534.2 Ų34.23%0.0318%0.177CC..EExtended strand (participates in β ladder)trans-107.2-16.9179.6-59.50000113V46 V261 L268 L273 T274V10-V46 HydrophobicContact CG2-CG2 3.92Å; V10-V261 HydrophobicContact CG2-CB 3.71Å; V10-V261 HydrophobicContact CG2-CG1 3.62Å; V10-V261 WeakPolarHBondContact CG2-O 3.38Å; V10-V261 PolarHBondContact N-O 3.46Å; V10-L268 HydrophobicContact CG1-CD2 3.22Å; V10-L273 HydrophobicContact CB-CB 4.38Å; V10-L273 HydrophobicContact CG1-CB 3.95Å; V10-L273 HydrophobicContact CG1-CD1 4.41Å; V10-L273 HydrophobicContact CG2-CD1 4.4Å; V10-T274 WeakPolarHBondContact CA-O 3.43Å
11A98.8Very high94.9Very high2 Ų234.5 Ų34.52%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-150.6147.1172.200000110.3I9 A40 L260 V261I9-A11 WeakPolarHBondContact CG2-O 3.41Å; A11-A40 HydrophobicContact CB-CB 4.21Å; A11-A40 WeakPolarHBondContact CB-O 3.3Å; A11-L260 CarbonylContact O-C 3.59Å; A11-L260 WeakPolarHBondContact O-CA 3.26Å; A11-L260 WeakPolarHBondContact O-CB 3.39Å; A11-V261 HydrophobicContact CB-CB 4.17Å; A11-V261 HydrophobicContact CB-CG2 4.17Å; A11-V261 PolarHBondContact N-O 3.21Å; A11-V261 PolarHBondContact O-N 3.36Å
12A98.8Very high96.9Very high2 Ų224.2 Ų24.22%0.01714%0.142CC..EExtended strand (participates in β ladder)trans-150.9119.3172.700000110.1I9 A259 L260 A363 H367I9-A12 HydrophobicContact CG2-CB 4.23Å; A12-A259 WeakPolarHBondContact CA-O 3.3Å; A12-L260 HydrophobicContact CB-CD2 3.86Å; A12-L260 HydrophobicContact CB-CG 3.89Å; A12-A363 HydrophobicContact CB-CB 3.74Å; A12-H367 PolarHBondContact O-NE2 3Å
13K98.9Very high97.9Very high27 Ų2725 Ų2512%0.11714%0.142CC..EExtended strand (participates in β ladder)trans-138.7154.5-179.3-64.3-64.8-62-175.10110.4A39 A40 A43 A201 E202 I203 A258 A259K13-A39 HydrophobicContact CB-CB 4.03Å; K13-A39 HydrophobicContact CG-CB 4.11Å; K13-A40 HydrophobicContact CB-CB 4.24Å; K13-A40 HydrophobicContact CG-CB 4.29Å; K13-A43 HydrophobicContact CD-CB 3.98Å; K13-A43 HydrophobicContact CG-CB 3.98Å; K13-A201 WeakPolarHBondContact CD-O 3.45Å; K13-A201 PolarHBondContact NZ-O 2.69Å; K13-E202 CarbonylContact C-O 3.6Å; K13-E202 WeakPolarHBondContact CA-O 3.25Å; K13-E202 VanDerWaalsContact CE-O 3.25Å; K13-E202 WeakPolarHBondContact CE-O 3.4Å; K13-I203 WeakPolarHBondContact CE-O 3.4Å; K13-I203 PolarHBondContact NZ-O 2.98Å; K13-A258 CarbonylContact O-C 3.56Å; K13-A258 WeakPolarHBondContact O-CA 3.37Å; K13-A259 PolarHBondContact N-O 3.21Å; K13-A259 PolarHBondContact O-N 3.28Å; K13-A259 VanDerWaalsContact O-O 3.08Å
14R98.9Very high98.2Very high0 Ų024.2 Ų24.20%014%0.138CC..EExtended strand (participates in β ladder)trans-141.3151.7177.862.181.9167.7-169.4-3.1111.3P16 E202 I203 A204 D220 A257 A258 R360R14-P16 VanDerWaalsContact NH1-CA 3.33Å; R14-E202 HydrophobicContact CG-CB 4.19Å; R14-E202 HydrophobicContact CG-CG 4.19Å; R14-E202 IonicContact CZ-OE1 3.86Å; R14-E202 PolarHBondContact N-O 3.05Å; R14-E202 IonicContact NE-OE1 3.83Å; R14-E202 PolarHBondContact NE-OE1 2.99Å; R14-E202 IonicContact NH2-OE1 3.02Å; R14-I203 CarbonylContact O-C 3.54Å; R14-I203 WeakPolarHBondContact O-CA 3.29Å; R14-A204 PolarHBondContact O-N 2.77Å; R14-D220 IonicContact CZ-OD1 3.55Å; R14-D220 IonicContact CZ-OD2 2.76Å; R14-D220 IonicContact NH1-OD1 3.56Å; R14-D220 PolarHBondContact NH1-OD1 3.32Å; R14-D220 IonicContact NH1-OD2 3.93Å; R14-D220 PolarHBondContact NH1-OD2 3.24Å; R14-D220 IonicContact NH2-OD1 3.52Å; R14-D220 IonicContact NH2-OD2 2.71Å; R14-D220 PolarHBondContact NH2-OD2 2.97Å; R14-A257 CarbonylContact C-O 3.55Å; R14-A257 WeakPolarHBondContact CA-O 3.46Å; R14-A258 HydrophobicContact CB-CB 3.63Å; R14-R360 HydrophobicContact CG-CG 4.36Å
15T98.9Very high98.4Very high0 Ų023 Ų230%013%0.127CC..PPolyproline II helixtrans-71.1157.3169.967.90000109.6L32 A36 V206 G256 A257T15-L32 HydrophobicContact CG2-CB 4.48Å; T15-A36 HydrophobicContact CG2-CB 4.21Å; T15-V206 HydrophobicContact CG2-CG2 4.03Å; T15-G256 WeakPolarHBondContact OG1-CA 3.26Å; T15-A257 HydrophobicContact CG2-CB 4.08Å; T15-A257 PolarHBondContact N-O 3.13Å; T15-A257 PolarHBondContact OG1-N 2.94Å; T15-A257 PolarHBondContact OG1-O 2.87Å
16P98.8Very high98.4Very high0 Ų026.2 Ų26.20%015%0.146CC..PPolyproline II helixtrans-52.1145.6152.531.6-39.1000109.8R14 L24 A204 V206 M217 H219R14-P16 VanDerWaalsContact NH1-CA 3.33Å; P16-L24 WeakPolarHBondContact O-CD1 3.45Å; P16-A204 VanDerWaalsContact CD-O 3.22Å; P16-A204 WeakPolarHBondContact CD-O 3.39Å; P16-V206 HydrophobicContact CG-CB 4.3Å; P16-V206 HydrophobicContact CG-CG2 4.14Å; P16-M217 HydrophobicContact CB-CE 3.85Å; P16-M217 HydrophobicContact CB-CG 3.77Å; P16-M217 HydrophobicContact CB-SD 3.76Å; P16-M217 HydrophobicContact CG-CB 4.02Å; P16-M217 HydrophobicContact CG-CE 4.3Å; P16-M217 HydrophobicContact CG-CG 3.58Å; P16-M217 HydrophobicContact CG-SD 3.54Å; P16-M217 VanDerWaalsContact CG-SD 3.54Å; P16-H219 VanDerWaalsContact CB-O 3.28Å; P16-H219 WeakPolarHBondContact CB-O 3.32Å
17F98.9Very high98.4Very high0 Ų027.5 Ų27.50%015%0.147CC..PPolyproline II helixtrans-91.4130.4173.3-752.6000110.2M217 D220 E221 D255 I350 P353 A356 R360F17-M217 WeakPolarHBondContact O-CE 3.2Å; F17-D220 PolarHBondContact N-OD1 3.41Å; F17-E221 PolarHBondContact O-N 2.97Å; F17-D255 CarbonylContact C-O 3.48Å; F17-D255 WeakPolarHBondContact CA-O 3.05Å; F17-I350 WeakPolarHBondContact CB-O 3.41Å; F17-I350 HydrophobicContact CD2-CD1 4.42Å; F17-P353 HydrophobicContact CD1-CG 4.07Å; F17-P353 VanDerWaalsContact CD2-CD 3.43Å; F17-P353 HydrophobicContact CD2-CG 3.5Å; F17-P353 HydrophobicContact CE1-CG 3.73Å; F17-P353 HydrophobicContact CE2-CG 3.1Å; F17-P353 HydrophobicContact CG-CG 3.97Å; F17-P353 HydrophobicContact CZ-CG 3.22Å; F17-A356 HydrophobicContact CZ-CB 4.28Å; F17-R360 HydrophobicContact CE2-CB 4.4Å; F17-R360 HydrophobicContact CE2-CG 4.19Å; F17-R360 HydrophobicContact CZ-CB 3.75Å; F17-R360 HydrophobicContact CZ-CG 3.81Å
18G98.7Very high98.4Very high0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans-91.5147.8175.200000110.9E221 S254 D255G18-E221 WeakPolarHBondContact CA-OE2 3.21Å; G18-S254 CarbonylContact O-C 3.46Å; G18-S254 WeakPolarHBondContact O-CA 3.42Å; G18-S254 WeakPolarHBondContact O-CB 3.42Å; G18-D255 PolarHBondContact N-O 3.01Å; G18-D255 PolarHBondContact O-N 3.28Å
19T98.5Very high98.4Very high35 Ų3526.7 Ų26.722%0.21515%0.145CC..EExtended strand (participates in β ladder)trans-77158172.4-161.40000110.4G21 G22 E221 H222T19-G21 PolarHBondContact O-N 3.24Å; T19-G22 WeakPolarHBondContact O-CA 3.47Å; T19-G22 PolarHBondContact O-N 2.97Å; T19-E221 HydrophobicContact CG2-CG 4.05Å; T19-E221 PolarHBondContact N-OE2 2.91Å; T19-H222 PolarHBondContact OG1-ND1 2.9Å; T19-H222 VanDerWaalsContact OG1-ND1 3.1Å
20Y98.6Very high98.4Very high121 Ų12126.7 Ų26.748%0.47515%0.145SC..THydrogen-bonded Turntrans-51.3124.2174.3-178.3-113000112.6G22 L148 V253Y20-G22 PolarHBondContact O-N 2.9Å; Y20-L148 HydrophobicContact CD2-CD2 4.35Å; Y20-L148 HydrophobicContact CE2-CD2 3.79Å; Y20-V253 WeakPolarHBondContact CB-O 3.29Å; Y20-V253 HydrophobicContact CD2-CB 4.41Å; Y20-V253 HydrophobicContact CD2-CG1 3.48Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.48Å; Y20-V253 HydrophobicContact CE2-CG1 4.29Å; Y20-V253 HydrophobicContact CG-CB 4.31Å; Y20-V253 HydrophobicContact CG-CG1 3.86Å; Y20-V253 PolarHBondContact N-O 2.96Å
21G98.3Very high98.4Very high42 Ų4229 Ų2943%0.43316%0.157SC..THydrogen-bonded Turntrans69.910.3-175.900000115T19 S123T19-G21 PolarHBondContact O-N 3.24Å; G21-S123 PolarHBondContact N-OG 3.07Å
22G97.5Very high98.4Very high14 Ų1429 Ų2914%0.14416%0.157CC..SBendtrans-83.4-150.5-177.300000114.1T19 Y20 L24 K25T19-G22 WeakPolarHBondContact O-CA 3.47Å; T19-G22 PolarHBondContact O-N 2.97Å; Y20-G22 PolarHBondContact O-N 2.9Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 2.69Å; G22-K25 WeakPolarHBondContact O-CG 3.29Å; G22-K25 PolarHBondContact O-N 3.44Å
23V97.1Very high98.4Very high62 Ų6229 Ų2938%0.37616%0.157SC..THydrogen-bonded Turntrans-68.9-21.4-170.9-620000114.4V208 M217 E221V23-V208 HydrophobicContact CB-CB 4.44Å; V23-V208 HydrophobicContact CB-CG1 4.33Å; V23-V208 HydrophobicContact CG2-CG1 4.31Å; V23-M217 HydrophobicContact CG2-CE 3.59Å; V23-M217 HydrophobicContact CG2-CG 4.38Å; V23-M217 HydrophobicContact CG2-SD 3.34Å; V23-M217 WeakPolarHBondContact CG2-SD 3.3Å; V23-E221 PolarHBondContact N-OE1 3.42Å; V23-E221 PolarHBondContact N-OE2 3.17Å
24L98.2Very high98.4Very high0 Ų029.4 Ų29.40%016%0.159CC..THydrogen-bonded Turntrans-94.4-2.2-179.5-63.8-173.5000114.5P16 G22 D26 H27 L32 V206 V208 M217 D255P16-L24 WeakPolarHBondContact O-CD1 3.45Å; G22-L24 VanDerWaalsContact C-N 3.27Å; G22-L24 PolarHBondContact O-N 2.69Å; L24-D26 PolarHBondContact O-N 3.32Å; L24-H27 WeakPolarHBondContact O-CB 3.2Å; L24-H27 PolarHBondContact O-N 3.49Å; L24-L32 HydrophobicContact CD1-CD2 4.07Å; L24-L32 HydrophobicContact CD2-CD2 4.26Å; L24-V206 HydrophobicContact CD2-CB 4.39Å; L24-V206 HydrophobicContact CD2-CG1 3.92Å; L24-V208 HydrophobicContact CD2-CG1 3.78Å; L24-M217 HydrophobicContact CD1-SD 4.27Å; L24-M217 HydrophobicContact CD2-SD 3.89Å; L24-M217 HydrophobicContact CG-SD 3.96Å; L24-D255 HydrophobicContact CB-CB 4.08Å
25K97.8Very high98.4Very high105 Ų10532.2 Ų32.246%0.45717%0.172SC..THydrogen-bonded Turntrans-55.3-27.7-173.272-177.3-179.5-177.80115.4G22 H27 Q124G22-K25 WeakPolarHBondContact O-CG 3.29Å; G22-K25 PolarHBondContact O-N 3.44Å; K25-H27 VanDerWaalsContact C-N 3.31Å; K25-Q124 WeakPolarHBondContact O-CG 3.48Å; K25-Q124 PolarHBondContact O-NE2 2.84Å
26D96.2Very high98.4Very high90 Ų9032.2 Ų32.248%0.48117%0.172SC..THydrogen-bonded Turntrans-84.3-5.1-179.3-74.2-3.9000112.7L24 K209L24-D26 PolarHBondContact O-N 3.32Å; D26-K209 IonicContact OD2-NZ 2.86Å; D26-K209 PolarHBondContact OD2-NZ 2.7Å
27H98Very high98.4Very high46 Ų4632.2 Ų32.221%0.21317%0.172CC..SBendtrans-97.9126.7176.7-61.484000109.9L24 K25 D31 L32 S121 Q124L24-H27 WeakPolarHBondContact O-CB 3.2Å; L24-H27 PolarHBondContact O-N 3.49Å; K25-H27 VanDerWaalsContact C-N 3.31Å; H27-D31 HydrophobicContact CB-CB 4.43Å; H27-L32 HydrophobicContact CB-CD1 4.44Å; H27-L32 HydrophobicContact CB-CD2 3.73Å; H27-L32 HydrophobicContact CB-CG 3.86Å; H27-S121 PolarHBondContact O-OG 3.14Å; H27-S121 VanDerWaalsContact O-OG 3.12Å; H27-Q124 VanDerWaalsContact C-NE2 3.29Å; H27-Q124 PolarHBondContact O-NE2 2.85Å
28S98.6Very high98.4Very high9 Ų936.7 Ų36.76%0.06319%0.192CC..  trans-68.5162.4172.469.40000110.8T30 D31 L32S28-T30 PolarHBondContact O-N 3.27Å; S28-T30 PolarHBondContact OG-N 3.02Å; S28-D31 WeakPolarHBondContact CB-OD2 3.34Å; S28-D31 PolarHBondContact N-OD2 3.45Å; S28-D31 PolarHBondContact O-N 2.96Å; S28-D31 VanDerWaalsContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 2.56Å; S28-D31 VanDerWaalsContact OG-N 3.1Å; S28-D31 PolarHBondContact OG-OD1 2.95Å; S28-D31 PolarHBondContact OG-OD2 2.88Å; S28-L32 WeakPolarHBondContact O-CG 3.44Å; S28-L32 PolarHBondContact O-N 3.15Å; S28-L32 VanDerWaalsContact O-N 3.11Å
29A98.8Very high98.4Very high1 Ų137.9 Ų37.91%0.00820%0.201CC..Hα-helixtrans-56.9-34.2170.800000111.2A33 I69 S119A29-A33 VanDerWaalsContact O-CB 3.27Å; A29-A33 WeakPolarHBondContact O-CB 3.42Å; A29-A33 PolarHBondContact O-N 3.17Å; A29-I69 HydrophobicContact CB-CD1 3.8Å; A29-S119 WeakPolarHBondContact CA-OG 3.19Å; A29-S119 WeakPolarHBondContact O-CB 3.39Å; A29-S119 PolarHBondContact O-OG 2.82Å
30T98.9Very high98.4Very high0 Ų036.2 Ų36.20%019%0.191CC..Hα-helixtrans-63.2-44.9175-50.60000112.4S28 A33 E34 D65 I69 H72 V73S28-T30 PolarHBondContact O-N 3.27Å; S28-T30 PolarHBondContact OG-N 3.02Å; T30-A33 PolarHBondContact O-N 3.47Å; T30-E34 WeakPolarHBondContact O-CB 3.38Å; T30-E34 PolarHBondContact O-N 3.35Å; T30-D65 PolarHBondContact OG1-OD2 3.39Å; T30-I69 HydrophobicContact CG2-CG1 4.47Å; T30-H72 HydrophobicContact CG2-CB 3.65Å; T30-V73 HydrophobicContact CG2-CG2 4.27Å
31D98.7Very high98.4Very high54 Ų5431 Ų3129%0.28917%0.171SC..Hα-helixtrans-67-41.2-178.8-53.2-40.6000111.5H27 S28 E34 H35 R76H27-D31 HydrophobicContact CB-CB 4.43Å; S28-D31 WeakPolarHBondContact CB-OD2 3.34Å; S28-D31 PolarHBondContact N-OD2 3.45Å; S28-D31 PolarHBondContact O-N 2.96Å; S28-D31 VanDerWaalsContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 2.56Å; S28-D31 VanDerWaalsContact OG-N 3.1Å; S28-D31 PolarHBondContact OG-OD1 2.95Å; S28-D31 PolarHBondContact OG-OD2 2.88Å; D31-E34 PolarHBondContact O-N 3.17Å; D31-H35 PolarHBondContact O-N 3.21Å; D31-R76 IonicContact OD1-CZ 3.75Å; D31-R76 IonicContact OD1-NH1 3.87Å; D31-R76 PolarHBondContact OD1-NH1 3.13Å
32L98.9Very high98.4Very high1 Ų132.8 Ų32.81%0.00518%0.182CC..Hα-helixtrans-65.1-41.4176.4-62.8173.6000111.4T15 L24 H27 S28 H35 A36 D255 A257T15-L32 HydrophobicContact CG2-CB 4.48Å; L24-L32 HydrophobicContact CD1-CD2 4.07Å; L24-L32 HydrophobicContact CD2-CD2 4.26Å; H27-L32 HydrophobicContact CB-CD1 4.44Å; H27-L32 HydrophobicContact CB-CD2 3.73Å; H27-L32 HydrophobicContact CB-CG 3.86Å; S28-L32 WeakPolarHBondContact O-CG 3.44Å; S28-L32 PolarHBondContact O-N 3.15Å; S28-L32 VanDerWaalsContact O-N 3.11Å; L32-H35 PolarHBondContact O-N 3.03Å; L32-A36 PolarHBondContact O-N 3.04Å; L32-D255 HydrophobicContact CD1-CB 4.22Å; L32-A257 HydrophobicContact CB-CB 3.76Å; L32-A257 VanDerWaalsContact O-CB 3.3Å; L32-A257 WeakPolarHBondContact O-CB 3.43Å
33A98.9Very high98.5Very high2 Ų235.2 Ų35.22%0.01720%0.2CC..Hα-helixtrans-63.8-44176.500000112A29 T30 H35 A36 A37 I69 V73A29-A33 VanDerWaalsContact O-CB 3.27Å; A29-A33 WeakPolarHBondContact O-CB 3.42Å; A29-A33 PolarHBondContact O-N 3.17Å; T30-A33 PolarHBondContact O-N 3.47Å; A33-H35 VanDerWaalsContact C-N 3.32Å; A33-H35 PolarHBondContact O-N 3.11Å; A33-A36 PolarHBondContact O-N 2.72Å; A33-A37 VanDerWaalsContact O-CB 3.24Å; A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.24Å; A33-I69 HydrophobicContact CB-CD1 4.47Å; A33-V73 HydrophobicContact CB-CG2 3.43Å; A33-V73 VanDerWaalsContact CB-CG2 3.43Å
34E98.9Very high98.6Very high35 Ų3532.8 Ų32.816%0.16419%0.188CC..Hα-helixtrans-57.2-46.7174.7178.4-169.716400111T30 D31 A37 K38 R76T30-E34 WeakPolarHBondContact O-CB 3.38Å; T30-E34 PolarHBondContact O-N 3.35Å; D31-E34 PolarHBondContact O-N 3.17Å; E34-A37 PolarHBondContact O-N 2.97Å; E34-K38 HydrophobicContact CG-CD 4.19Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 3.36Å; E34-K38 WeakPolarHBondContact OE1-CE 3.41Å; E34-K38 IonicContact OE1-NZ 3.86Å; E34-K38 PolarHBondContact OE1-NZ 3.42Å; E34-R76 HydrophobicContact CG-CB 3.92Å; E34-R76 WeakPolarHBondContact OE2-CD 3.34Å; E34-R76 IonicContact OE2-CZ 2.81Å; E34-R76 IonicContact OE2-NE 3.19Å; E34-R76 IonicContact OE2-NH1 3.97Å; E34-R76 PolarHBondContact OE2-NH1 2.94Å
35H98.9Very high98.6Very high60 Ų6036.9 Ų36.928%0.27822%0.222SC..Hα-helixtrans-61.4-48.5179.2-173.682.7000112.2D31 L32 A33 A37 A39 A204 P205 V206D31-H35 PolarHBondContact O-N 3.21Å; L32-H35 PolarHBondContact O-N 3.03Å; A33-H35 VanDerWaalsContact C-N 3.32Å; A33-H35 PolarHBondContact O-N 3.11Å; H35-A37 VanDerWaalsContact C-N 3.34Å; H35-A37 PolarHBondContact O-N 3.24Å; H35-A39 WeakPolarHBondContact O-CB 3.29Å; H35-A39 PolarHBondContact O-N 3.01Å; H35-A39 VanDerWaalsContact O-N 3.08Å; H35-A204 PolarHBondContact NE2-O 2.74Å; H35-P205 PolarHBondContact CE1-O 3.42Å; H35-P205 PolarHBondContact NE2-O 3.37Å; H35-V206 VanDerWaalsContact CD2-CG2 3.44Å; H35-V206 WeakPolarHBondContact CD2-CG2 3.38Å
36A98.9Very high98.6Very high0 Ų032.1 Ų32.10%020%0.202CC..Hα-helixtrans-61.8-41.8177.100000111.8T15 L32 A33 A39 A40 A257 A259T15-A36 HydrophobicContact CG2-CB 4.21Å; L32-A36 PolarHBondContact O-N 3.04Å; A33-A36 PolarHBondContact O-N 2.72Å; A36-A39 PolarHBondContact O-N 3.08Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 2.64Å; A36-A257 HydrophobicContact CB-CB 4.09Å; A36-A259 HydrophobicContact CB-CB 3.92Å
37A98.9Very high98.7Very high0 Ų029.9 Ų29.90%020%0.196CC..Hα-helixtrans-65.2-46.9179.600000112.4A33 E34 H35 A39 A40 L41 V73 C77 L115 A259A33-A37 VanDerWaalsContact O-CB 3.24Å; A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.24Å; E34-A37 PolarHBondContact O-N 2.97Å; H35-A37 VanDerWaalsContact C-N 3.34Å; H35-A37 PolarHBondContact O-N 3.24Å; A37-A39 VanDerWaalsContact C-N 3.28Å; A37-A39 PolarHBondContact O-N 2.91Å; A37-A40 PolarHBondContact O-N 3.38Å; A37-A40 VanDerWaalsContact O-N 3.13Å; A37-L41 WeakPolarHBondContact O-CG 3.47Å; A37-L41 PolarHBondContact O-N 2.84Å; A37-V73 HydrophobicContact CB-CG1 3.85Å; A37-C77 VanDerWaalsContact CB-SG 3.58Å; A37-L115 HydrophobicContact CB-CD1 4.12Å; A37-L115 HydrophobicContact CB-CD2 3.9Å; A37-A259 HydrophobicContact CB-CB 4.19Å
38K98.9Very high98.7Very high94 Ų9429.2 Ų29.241%0.40920%0.195SC..Hα-helixtrans-57.1-43.4173.9-77.1177.5173.31710111.5E34 A42 R76E34-K38 HydrophobicContact CG-CD 4.19Å; E34-K38 WeakPolarHBondContact O-CB 3.39Å; E34-K38 WeakPolarHBondContact O-CG 3.29Å; E34-K38 PolarHBondContact O-N 3.36Å; E34-K38 WeakPolarHBondContact OE1-CE 3.41Å; E34-K38 IonicContact OE1-NZ 3.86Å; E34-K38 PolarHBondContact OE1-NZ 3.42Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.08Å; K38-R76 WeakPolarHBondContact CE-O 3.42Å; K38-R76 PolarHBondContact NZ-O 2.93Å
39A98.9Very high98.7Very high24 Ų2434.9 Ų34.920%0.19822%0.221CC..Hα-helixtrans-64.5-40.2176.600000112.4K13 H35 A36 A37 A43 A204K13-A39 HydrophobicContact CB-CB 4.03Å; K13-A39 HydrophobicContact CG-CB 4.11Å; H35-A39 WeakPolarHBondContact O-CB 3.29Å; H35-A39 PolarHBondContact O-N 3.01Å; H35-A39 VanDerWaalsContact O-N 3.08Å; A36-A39 PolarHBondContact O-N 3.08Å; A37-A39 VanDerWaalsContact C-N 3.28Å; A37-A39 PolarHBondContact O-N 2.91Å; A39-A43 WeakPolarHBondContact O-CB 3.31Å; A39-A43 PolarHBondContact O-N 3.28Å; A39-A204 HydrophobicContact CB-CB 3.38Å
40A98.9Very high98.7Very high0 Ų036.7 Ų36.70%023%0.23CC..Hα-helixtrans-66-47.8177.600000111.8A11 K13 A36 A37 A42 A43 G44 A259 V261A11-A40 HydrophobicContact CB-CB 4.21Å; A11-A40 WeakPolarHBondContact CB-O 3.3Å; K13-A40 HydrophobicContact CB-CB 4.24Å; K13-A40 HydrophobicContact CG-CB 4.29Å; A36-A40 WeakPolarHBondContact O-CB 3.28Å; A36-A40 PolarHBondContact O-N 2.64Å; A37-A40 PolarHBondContact O-N 3.38Å; A37-A40 VanDerWaalsContact O-N 3.13Å; A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 3.28Å; A40-A43 PolarHBondContact O-N 3.46Å; A40-G44 PolarHBondContact O-N 2.98Å; A40-A259 HydrophobicContact CB-CB 4.09Å; A40-V261 HydrophobicContact CB-CG2 4.43Å
41L98.9Very high98.7Very high12 Ų1236.8 Ų36.86%0.06323%0.231CC..Hα-helixtrans-56.9-47.1176.1-69.2169.7000111.2A37 G44 A45 V46 P48 I51 C77 V261A37-L41 WeakPolarHBondContact O-CG 3.47Å; A37-L41 PolarHBondContact O-N 2.84Å; L41-G44 PolarHBondContact O-N 3.34Å; L41-A45 PolarHBondContact O-N 3.3Å; L41-A45 VanDerWaalsContact O-N 3.12Å; L41-V46 HydrophobicContact CD2-CB 4Å; L41-V46 HydrophobicContact CD2-CG1 3.95Å; L41-V46 PolarHBondContact O-N 3.27Å; L41-P48 HydrophobicContact CD1-CG 4.48Å; L41-I51 HydrophobicContact CD2-CD1 3.96Å; L41-I51 HydrophobicContact CD2-CG1 4.02Å; L41-C77 HydrophobicContact CD1-CB 3.89Å; L41-V261 HydrophobicContact CD2-CG2 4.03Å
42A98.8Very high98.7Very high79 Ų7937.2 Ų37.265%0.65323%0.233SC*.Hα-helixtrans-63.1-45.817700000112.6K38 A40 G44 A45K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 3.08Å; A40-A42 VanDerWaalsContact C-N 3.33Å; A40-A42 PolarHBondContact O-N 3.28Å; A42-G44 VanDerWaalsContact C-N 3.32Å; A42-G44 PolarHBondContact O-N 3.11Å; A42-A45 PolarHBondContact O-N 3.34Å
43A98.6Very high98.7Very high65 Ų6537.2 Ų37.254%0.53723%0.233SC..Hα-helixtrans-65.9-33.1-178.500000113.2K13 A39 A40K13-A43 HydrophobicContact CD-CB 3.98Å; K13-A43 HydrophobicContact CG-CB 3.98Å; A39-A43 WeakPolarHBondContact O-CB 3.31Å; A39-A43 PolarHBondContact O-N 3.28Å; A40-A43 PolarHBondContact O-N 3.46Å
44G98.3Very high98.7Very high11 Ų1137.2 Ų37.211%0.11323%0.233CC..THydrogen-bonded Turntrans-87.3-1.4175.500000114.7A40 L41 A42 V46A40-G44 PolarHBondContact O-N 2.98Å; L41-G44 PolarHBondContact O-N 3.34Å; A42-G44 VanDerWaalsContact C-N 3.32Å; A42-G44 PolarHBondContact O-N 3.11Å; G44-V46 PolarHBondContact O-N 2.88Å
45A98.2Very high98.7Very high86 Ų8635.6 Ų35.671%0.71123%0.225SC*.THydrogen-bonded Turntrans49.337.9-168.400000112.9L41 A42L41-A45 PolarHBondContact O-N 3.3Å; L41-A45 VanDerWaalsContact O-N 3.12Å; A42-A45 PolarHBondContact O-N 3.34Å
46V98.6Very high98.7Very high6 Ų632.8 Ų32.84%0.03621%0.212CC..  trans-91.5116.3-178.5-178.80000108.6V10 L41 G44 L50 I51 V113 V261 L273V10-V46 HydrophobicContact CG2-CG2 3.92Å; L41-V46 HydrophobicContact CD2-CB 4Å; L41-V46 HydrophobicContact CD2-CG1 3.95Å; L41-V46 PolarHBondContact O-N 3.27Å; G44-V46 PolarHBondContact O-N 2.88Å; V46-L50 HydrophobicContact CG1-CB 4.38Å; V46-L50 HydrophobicContact CG1-CD1 4.44Å; V46-I51 HydrophobicContact CG1-CD1 3.96Å; V46-V113 HydrophobicContact CG1-CG1 4.39Å; V46-V261 HydrophobicContact CG1-CG1 4.23Å; V46-V261 HydrophobicContact CG2-CB 4.45Å; V46-V261 HydrophobicContact CG2-CG1 4.1Å; V46-L273 HydrophobicContact CG2-CD2 4.05Å
47A98.5Very high98.7Very high43 Ų4332.8 Ų32.836%0.35521%0.212SC..  trans-66.3134.2173.400000109.7E49 L50A47-E49 WeakPolarHBondContact CB-OE2 3.32Å; A47-E49 PolarHBondContact O-N 3.37Å; A47-E49 VanDerWaalsContact O-N 3.08Å; A47-L50 HydrophobicContact CB-CD1 4.45Å; A47-L50 HydrophobicContact CB-CG 4.23Å; A47-L50 WeakPolarHBondContact O-CB 3.47Å; A47-L50 PolarHBondContact O-N 3Å
48P98.6Very high98.7Very high31 Ų3133 Ų3320%0.20121%0.213CC..G310 helixtrans-54.4-28.6-179.7-26.934.9000114L41 L50 I51 C77 G78 V79 P80L41-P48 HydrophobicContact CD1-CG 4.48Å; P48-L50 PolarHBondContact O-N 3.04Å; P48-I51 WeakPolarHBondContact O-CB 3.46Å; P48-I51 PolarHBondContact O-N 3.31Å; P48-C77 WeakPolarHBondContact CG-O 3.46Å; P48-G78 WeakPolarHBondContact CB-O 3.44Å; P48-V79 HydrophobicContact CB-CG2 4.43Å; P48-P80 WeakPolarHBondContact O-CD 3.29Å
49E98.6Very high98.6Very high129 Ų12929.6 Ų29.660%0.60320%0.201SC*.G310 helixtrans-65.2-20.6178.6-6076.5-168.300113.5A47 I51 P80A47-E49 WeakPolarHBondContact CB-OE2 3.32Å; A47-E49 PolarHBondContact O-N 3.37Å; A47-E49 VanDerWaalsContact O-N 3.08Å; E49-I51 VanDerWaalsContact C-N 3.33Å; E49-P80 HydrophobicContact CB-CG 4.36Å; E49-P80 HydrophobicContact CG-CG 4.42Å
50L98.5Very high98.5Very high38 Ų3829.3 Ų29.320%0.19920%0.195CC..G310 helixtrans-77.7-21.1177-58.5-177.7000112.3V46 A47 P48 N52 V113 H271V46-L50 HydrophobicContact CG1-CB 4.38Å; V46-L50 HydrophobicContact CG1-CD1 4.44Å; A47-L50 HydrophobicContact CB-CD1 4.45Å; A47-L50 HydrophobicContact CB-CG 4.23Å; A47-L50 WeakPolarHBondContact O-CB 3.47Å; A47-L50 PolarHBondContact O-N 3Å; P48-L50 PolarHBondContact O-N 3.04Å; L50-N52 PolarHBondContact O-N 3.09Å; L50-N52 PolarHBondContact O-ND2 2.81Å; L50-V113 HydrophobicContact CB-CG2 4.41Å; L50-V113 WeakPolarHBondContact O-CB 3.49Å; L50-H271 HydrophobicContact CD1-CB 3.9Å
51I98.8Very high98.5Very high3 Ų335.2 Ų35.22%0.01522%0.223CC..  trans-71.9118.1-176.2-56.7-56.5000110.1L41 V46 P48 E49 S53 I54 V79 V113 L115 V261L41-I51 HydrophobicContact CD2-CD1 3.96Å; L41-I51 HydrophobicContact CD2-CG1 4.02Å; V46-I51 HydrophobicContact CG1-CD1 3.96Å; P48-I51 WeakPolarHBondContact O-CB 3.46Å; P48-I51 PolarHBondContact O-N 3.31Å; E49-I51 VanDerWaalsContact C-N 3.33Å; I51-S53 VanDerWaalsContact CG2-O 3.24Å; I51-S53 WeakPolarHBondContact CG2-O 3.36Å; I51-I54 HydrophobicContact CG2-CD1 4.43Å; I51-I54 HydrophobicContact CG2-CG1 4.17Å; I51-V79 HydrophobicContact CB-CG1 3.81Å; I51-V79 HydrophobicContact CB-CG2 4.05Å; I51-V79 HydrophobicContact CG1-CG2 4.17Å; I51-V79 HydrophobicContact CG2-CG1 3.9Å; I51-V79 HydrophobicContact CG2-CG2 4.19Å; I51-V113 HydrophobicContact CD1-CB 4.47Å; I51-V113 HydrophobicContact CD1-CG1 3.68Å; I51-L115 HydrophobicContact CD1-CB 4.29Å; I51-L115 HydrophobicContact CG2-CB 3.89Å; I51-V261 HydrophobicContact CD1-CG1 4.05Å
52N97.6Very high98.4Very high62 Ų6235.1 Ų35.133%0.33222%0.223SC..  trans-89.5-27.8178.3-47.4124.2000112.5L50 P84 E112 V113L50-N52 PolarHBondContact O-N 3.09Å; L50-N52 PolarHBondContact O-ND2 2.81Å; N52-P84 VanDerWaalsContact O-CD 3.3Å; N52-P84 WeakPolarHBondContact O-CD 3.48Å; N52-E112 WeakPolarHBondContact OD1-CA 3.46Å; N52-E112 WeakPolarHBondContact OD1-CB 3.35Å; N52-E112 PolarHBondContact OD1-N 3.27Å; N52-V113 PolarHBondContact N-O 2.95Å; N52-V113 PolarHBondContact OD1-N 2.87Å
53S98.8Very high98.4Very high2 Ų232.5 Ų32.51%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-150147.7-177179.50000111.2I51 E105 S111 V114 L115I51-S53 VanDerWaalsContact CG2-O 3.24Å; I51-S53 WeakPolarHBondContact CG2-O 3.36Å; S53-E105 WeakPolarHBondContact CB-OE2 3.47Å; S53-E105 PolarHBondContact OG-OE1 2.85Å; S53-E105 PolarHBondContact OG-OE2 3.41Å; S53-S111 WeakPolarHBondContact CB-OG 3.41Å; S53-V114 WeakPolarHBondContact O-CA 3.26Å; S53-V114 WeakPolarHBondContact O-CG1 3.17Å; S53-L115 PolarHBondContact O-N 3.44Å
54I98.9Very high98.3Very high2 Ų234.7 Ų34.71%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-117.8125175.2-53.290.1000109.2I51 M56 A70 V79 A83 P84 A85 L86 L115I51-I54 HydrophobicContact CG2-CD1 4.43Å; I51-I54 HydrophobicContact CG2-CG1 4.17Å; I54-M56 HydrophobicContact CG2-CE 3.97Å; I54-M56 HydrophobicContact CG2-CG 4.2Å; I54-A70 HydrophobicContact CG2-CB 4.49Å; I54-A70 WeakPolarHBondContact CG2-O 3.4Å; I54-V79 HydrophobicContact CD1-CB 4.31Å; I54-V79 HydrophobicContact CD1-CG1 3.75Å; I54-V79 HydrophobicContact CG1-CG1 4.42Å; I54-V79 HydrophobicContact CG1-CG2 4.49Å; I54-A83 HydrophobicContact CD1-CB 4.2Å; I54-P84 WeakPolarHBondContact CD1-O 3.22Å; I54-P84 PolarHBondContact N-O 2.64Å; I54-P84 VanDerWaalsContact N-O 3.1Å; I54-A85 HydrophobicContact CB-CB 4.01Å; I54-A85 HydrophobicContact CD1-CB 4.33Å; I54-A85 CarbonylContact O-C 3.55Å; I54-A85 VanDerWaalsContact O-CA 3.23Å; I54-A85 WeakPolarHBondContact O-CA 3.34Å; I54-L86 PolarHBondContact O-N 2.91Å; I54-L115 CarbonylContact C-O 3.36Å; I54-L115 WeakPolarHBondContact CA-O 3.41Å; I54-L115 HydrophobicContact CG1-CB 4.45Å; I54-L115 HydrophobicContact CG1-CD2 4.4Å; I54-L115 HydrophobicContact CG2-CB 4.47Å; I54-L115 HydrophobicContact CG2-CD2 4.09Å; I54-L115 HydrophobicContact CG2-CG 4.34Å
55I98.9Very high98.3Very high0 Ų035.7 Ų35.70%022%0.221CC..EExtended strand (participates in β ladder)trans-129.3115.2179-46.3-179.7000110L86 V88 S98 N101 E105 V114 L115 C116 G117I55-L86 CarbonylContact C-O 3.58Å; I55-L86 VanDerWaalsContact CA-O 3.3Å; I55-L86 WeakPolarHBondContact CA-O 3.31Å; I55-L86 HydrophobicContact CG2-CB 4.43Å; I55-L86 HydrophobicContact CG2-CD2 4.44Å; I55-V88 HydrophobicContact CG2-CG1 3.91Å; I55-V88 HydrophobicContact CG2-CG2 4.26Å; I55-S98 WeakPolarHBondContact O-CB 3.45Å; I55-N101 HydrophobicContact CD1-CB 3.67Å; I55-N101 HydrophobicContact CG2-CB 4.15Å; I55-E105 WeakPolarHBondContact CD1-OE1 3.26Å; I55-V114 HydrophobicContact CD1-CG1 4.02Å; I55-V114 HydrophobicContact CG1-CG1 4.02Å; I55-L115 PolarHBondContact N-O 2.79Å; I55-C116 CarbonylContact O-C 3.59Å; I55-C116 WeakPolarHBondContact O-CA 3.45Å; I55-G117 PolarHBondContact O-N 3.38Å
56M98.9Very high98.3Very high1 Ų131.7 Ų31.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-120.2129.1-177.5-67.7-64.9136.500112.1I54 A70 L86 T87 V88 L115 C116I54-M56 HydrophobicContact CG2-CE 3.97Å; I54-M56 HydrophobicContact CG2-CG 4.2Å; M56-A70 HydrophobicContact CB-CB 3.91Å; M56-A70 HydrophobicContact CG-CB 4.07Å; M56-L86 PolarHBondContact N-O 2.67Å; M56-T87 CarbonylContact O-C 3.46Å; M56-T87 VanDerWaalsContact O-CA 3.29Å; M56-T87 WeakPolarHBondContact O-CA 3.21Å; M56-V88 PolarHBondContact O-N 3.25Å; M56-L115 HydrophobicContact CE-CD1 4.33Å; M56-L115 HydrophobicContact CE-CD2 4.24Å; M56-L115 HydrophobicContact CE-CG 3.71Å; M56-C116 VanDerWaalsContact CE-C 3.47Å
57G98.9Very high98.2Very high0 Ų034.7 Ų34.70%021%0.208CC..EExtended strand (participates in β ladder)trans-77.8123.5169.200000111.7V88 G117 G118 S119G57-V88 WeakPolarHBondContact CA-O 3.42Å; G57-G117 PolarHBondContact N-O 2.78Å; G57-G118 CarbonylContact O-C 3.6Å; G57-G118 WeakPolarHBondContact O-CA 3.27Å; G57-S119 PolarHBondContact O-N 3.47Å
58N98.9Very high98.2Very high5 Ų539.3 Ų39.33%0.02722%0.217CC..  trans-147132.7171.1176.1-112.5000109.6M60 I69 T87 V88 S119 E120N58-M60 PolarHBondContact ND2-O 3.17Å; N58-M60 PolarHBondContact OD1-O 2.71Å; N58-I69 HydrophobicContact CB-CD1 4.13Å; N58-I69 HydrophobicContact CB-CG2 4.09Å; N58-T87 HydrophobicContact CB-CG2 4.02Å; N58-V88 PolarHBondContact N-O 2.89Å; N58-V88 VanDerWaalsContact N-O 3.09Å; N58-S119 PolarHBondContact ND2-O 2.92Å; N58-E120 PolarHBondContact ND2-OE1 3.14Å
59V98.6Very high98.3Very high23 Ų2337.8 Ų37.814%0.13921%0.207CC..  trans-103-53.8-174-173.80000110.6N89 L91 E120 L354V59-N89 PolarHBondContact O-ND2 3.28Å; V59-L91 HydrophobicContact CG1-CB 4.44Å; V59-L91 HydrophobicContact CG1-CG 4.12Å; V59-L91 VanDerWaalsContact CG2-C 3.49Å; V59-L91 WeakPolarHBondContact CG2-O 3.47Å; V59-E120 WeakPolarHBondContact CB-OE2 3.18Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.39Å; V59-E120 PolarHBondContact N-OE2 2.86Å; V59-L354 HydrophobicContact CB-CB 4.09Å; V59-L354 HydrophobicContact CB-CD1 4.31Å; V59-L354 HydrophobicContact CG1-CD1 4.13Å; V59-L354 HydrophobicContact CG2-CB 3.78Å
60M96.6Very high98.3Very high18 Ų1831.7 Ų31.79%0.08918%0.179CC..SBendtrans-95117.5179.9-61.1-163.7179.600109.2N58 S62 E120 M122 A125 L148 L152 L354N58-M60 PolarHBondContact ND2-O 3.17Å; N58-M60 PolarHBondContact OD1-O 2.71Å; M60-S62 PolarHBondContact O-N 3.04Å; M60-E120 WeakPolarHBondContact CA-OE1 3.31Å; M60-E120 WeakPolarHBondContact CB-OE1 3.46Å; M60-E120 PolarHBondContact N-OE1 2.87Å; M60-E120 VanDerWaalsContact O-OE1 3.13Å; M60-M122 HydrophobicContact CE-CE 4.32Å; M60-A125 HydrophobicContact SD-CB 4.2Å; M60-L148 HydrophobicContact CE-CB 4.49Å; M60-L148 HydrophobicContact CE-CD1 3.5Å; M60-L148 VanDerWaalsContact CE-CD1 3.5Å; M60-L148 HydrophobicContact SD-CB 4.16Å; M60-L148 HydrophobicContact SD-CD1 3.71Å; M60-L152 HydrophobicContact CE-CD2 4.5Å; M60-L152 HydrophobicContact CE-CG 4.46Å; M60-L354 HydrophobicContact CE-CD1 3.67Å; M60-L354 HydrophobicContact CG-CD1 4.42Å
61Q97.2Very high98.3Very high124 Ų12433.4 Ų33.458%0.57918%0.182SC*.  trans-76.280.7172.3-69.2-177.5-12.800109.3A66Q61-A66 HydrophobicContact CB-CB 3.77Å; Q61-A66 HydrophobicContact CG-CB 4.12Å
62S98.1Very high98.3Very high9 Ų935.9 Ų35.96%0.06319%0.194CC..  trans-97.33.5-168.555.40000115.3M60 S121 Q124M60-S62 PolarHBondContact O-N 3.04Å; S62-S121 WeakPolarHBondContact CB-O 3.45Å; S62-S121 PolarHBondContact OG-O 2.94Å; S62-Q124 WeakPolarHBondContact O-CB 3.34Å
63S97.7Very high98.3Very high24 Ų2432.9 Ų32.917%0.16818%0.178CC..SBendtrans-133.2161.1174.465.40000111.2D65 A66S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 3.47Å; S63-D65 PolarHBondContact OG-OD1 2.9Å; S63-A66 VanDerWaalsContact O-CB 3.22Å; S63-A66 WeakPolarHBondContact O-CB 3.32Å; S63-A66 PolarHBondContact O-N 3.13Å; S63-A66 VanDerWaalsContact O-N 3.08Å; S63-A66 PolarHBondContact OG-N 3.27Å
64A97.6Very high98.3Very high111 Ų11132.9 Ų32.992%0.91718%0.178SC*.THydrogen-bonded Turntrans-60.4-27.1178.500000113.1
65D97.7Very high98.3Very high33 Ų3336.2 Ų36.218%0.17620%0.195CC..THydrogen-bonded Turntrans-98.12.4178.775.2-33.4000113.8T30 S63 P67 Y68 H72 R76T30-D65 PolarHBondContact OG1-OD2 3.39Å; S63-D65 WeakPolarHBondContact CB-OD1 3.34Å; S63-D65 PolarHBondContact O-N 3.47Å; S63-D65 PolarHBondContact OG-OD1 2.9Å; D65-P67 VanDerWaalsContact C-N 3.33Å; D65-Y68 WeakPolarHBondContact O-CA 3.46Å; D65-Y68 PolarHBondContact O-N 3.2Å; D65-H72 IonicContact OD2-CE1 3.51Å; D65-H72 IonicContact OD2-ND1 3.69Å; D65-H72 PolarHBondContact OD2-ND1 3.1Å; D65-R76 IonicContact OD2-NH2 2.69Å
66A97.6Very high98.3Very high2 Ų240.7 Ų40.72%0.01721%0.212CC..G310 helixtrans-54.1-36.4-175.300000115.1Q61 S63 Y68 I69Q61-A66 HydrophobicContact CB-CB 3.77Å; Q61-A66 HydrophobicContact CG-CB 4.12Å; S63-A66 VanDerWaalsContact O-CB 3.22Å; S63-A66 WeakPolarHBondContact O-CB 3.32Å; S63-A66 PolarHBondContact O-N 3.13Å; S63-A66 VanDerWaalsContact O-N 3.08Å; S63-A66 PolarHBondContact OG-N 3.27Å; A66-Y68 PolarHBondContact O-N 3.18Å; A66-I69 WeakPolarHBondContact O-CB 3.39Å; A66-I69 WeakPolarHBondContact O-CG2 3.45Å; A66-I69 PolarHBondContact O-N 3.29Å; A66-I69 VanDerWaalsContact O-N 3.16Å
67P98.1Very high98.3Very high69 Ų6941.2 Ų41.245%0.44822%0.216SC..G310 helixtrans-57.6-21.7174-27.236.9000114.3D65D65-P67 VanDerWaalsContact C-N 3.33Å
68Y98.7Very high98.3Very high139 Ų13943.3 Ų43.355%0.54524%0.238SC..G310 helixtrans-106.68.5-176.8-54.8-80.9000113.5D65 A66 A70 R71 H72D65-Y68 WeakPolarHBondContact O-CA 3.46Å; D65-Y68 PolarHBondContact O-N 3.2Å; A66-Y68 PolarHBondContact O-N 3.18Å; Y68-A70 PolarHBondContact O-N 3.4Å; Y68-R71 PolarHBondContact O-N 3.05Å; Y68-H72 PolarHBondContact O-N 3.27Å
69I98.7Very high98.3Very high0 Ų043.4 Ų43.40%024%0.238CC..Hα-helixtrans-46.8-54.3-171.6-176.8170000113.3A29 T30 A33 N58 A66 R71 H72 V73 T87A29-I69 HydrophobicContact CB-CD1 3.8Å; T30-I69 HydrophobicContact CG2-CG1 4.47Å; A33-I69 HydrophobicContact CB-CD1 4.47Å; N58-I69 HydrophobicContact CB-CD1 4.13Å; N58-I69 HydrophobicContact CB-CG2 4.09Å; A66-I69 WeakPolarHBondContact O-CB 3.39Å; A66-I69 WeakPolarHBondContact O-CG2 3.45Å; A66-I69 PolarHBondContact O-N 3.29Å; A66-I69 VanDerWaalsContact O-N 3.16Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 2.93Å; I69-H72 PolarHBondContact O-N 2.92Å; I69-V73 HydrophobicContact CG1-CG2 4.33Å; I69-V73 WeakPolarHBondContact O-CB 3.5Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.75Å; I69-T87 HydrophobicContact CG2-CG2 3.52Å; I69-T87 VanDerWaalsContact CG2-OG1 3.28Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.21Å
70A98.8Very high98.3Very high1 Ų144.5 Ų44.51%0.00825%0.246CC..Hα-helixtrans-60-41.3-17900000112.3I54 M56 Y68 G74 A85 L86 T87I54-A70 HydrophobicContact CG2-CB 4.49Å; I54-A70 WeakPolarHBondContact CG2-O 3.4Å; M56-A70 HydrophobicContact CB-CB 3.91Å; M56-A70 HydrophobicContact CG-CB 4.07Å; Y68-A70 PolarHBondContact O-N 3.4Å; A70-G74 PolarHBondContact O-N 3.32Å; A70-G74 VanDerWaalsContact O-N 3.11Å; A70-A85 HydrophobicContact CB-CB 3.98Å; A70-L86 VanDerWaalsContact CB-C 3.49Å; A70-L86 WeakPolarHBondContact CB-O 3.4Å; A70-T87 WeakPolarHBondContact CB-OG1 3.14Å; A70-T87 PolarHBondContact N-OG1 3.02Å
71R98.9Very high98.4Very high73 Ų7349.8 Ų49.828%0.27527%0.273SS..Hα-helixtrans-69.7-44.6-179.2-177.455.7175.1178.1-1.9111.7Y68 I69 V73 G74 L75 I81 A83 A85Y68-R71 PolarHBondContact O-N 3.05Å; I69-R71 VanDerWaalsContact C-N 3.31Å; I69-R71 PolarHBondContact O-N 2.93Å; R71-V73 VanDerWaalsContact C-N 3.35Å; R71-G74 PolarHBondContact O-N 3.09Å; R71-L75 HydrophobicContact CG-CD1 4.07Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.3Å; R71-I81 PolarHBondContact NH1-O 3.31Å; R71-I81 PolarHBondContact NH2-O 2.74Å; R71-A83 PolarHBondContact NH1-O 3.1Å; R71-A85 VanDerWaalsContact CA-CB 3.49Å; R71-A85 HydrophobicContact CB-CB 3.92Å
72H98.9Very high98.4Very high55 Ų5549.5 Ų49.526%0.25528%0.282SS..Hα-helixtrans-62.9-42.8177.2-73.8-176.2000111.2T30 D65 Y68 I69 G74 L75 R76T30-H72 HydrophobicContact CG2-CB 3.65Å; D65-H72 IonicContact OD2-CE1 3.51Å; D65-H72 IonicContact OD2-ND1 3.69Å; D65-H72 PolarHBondContact OD2-ND1 3.1Å; Y68-H72 PolarHBondContact O-N 3.27Å; I69-H72 PolarHBondContact O-N 2.92Å; H72-G74 PolarHBondContact O-N 3.21Å; H72-L75 PolarHBondContact O-N 3.17Å; H72-R76 VanDerWaalsContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CB 3.38Å; H72-R76 WeakPolarHBondContact O-CG 3.42Å; H72-R76 PolarHBondContact O-N 2.9Å
73V98.9Very high98.5Very high0 Ų049.5 Ų49.50%028%0.282CS..Hα-helixtrans-57.6-51.5175.4169.80000111.1T30 A33 A37 I69 R71 L75 R76 C77 L115T30-V73 HydrophobicContact CG2-CG2 4.27Å; A33-V73 HydrophobicContact CB-CG2 3.43Å; A33-V73 VanDerWaalsContact CB-CG2 3.43Å; A37-V73 HydrophobicContact CB-CG1 3.85Å; I69-V73 HydrophobicContact CG1-CG2 4.33Å; I69-V73 WeakPolarHBondContact O-CB 3.5Å; I69-V73 WeakPolarHBondContact O-CG2 3.4Å; I69-V73 PolarHBondContact O-N 2.75Å; R71-V73 VanDerWaalsContact C-N 3.35Å; V73-L75 PolarHBondContact O-N 2.8Å; V73-R76 PolarHBondContact O-N 2.91Å; V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 2.78Å; V73-C77 PolarHBondContact O-SG 3.19Å; V73-L115 HydrophobicContact CG1-CD2 4.37Å
74G98.8Very high98.5Very high1 Ų152.2 Ų52.21%0.0130%0.3CS..Hα-helixtrans-55.7-52.1178.600000112.4A70 R71 H72 R76 C77 G78 V79A70-G74 PolarHBondContact O-N 3.32Å; A70-G74 VanDerWaalsContact O-N 3.11Å; R71-G74 PolarHBondContact O-N 3.09Å; H72-G74 PolarHBondContact O-N 3.21Å; G74-R76 PolarHBondContact O-N 3.42Å; G74-C77 PolarHBondContact O-N 3.11Å; G74-G78 PolarHBondContact O-N 3.45Å; G74-V79 VanDerWaalsContact O-CB 3.3Å; G74-V79 WeakPolarHBondContact O-CB 3.44Å; G74-V79 WeakPolarHBondContact O-CG2 3.32Å; G74-V79 PolarHBondContact O-N 3.26Å
75L98.9Very high98.6Very high73 Ų7348.6 Ų48.638%0.38227%0.27SS..Hα-helixtrans-61.5-43.8-179.7-68173000112.5R71 H72 V73 C77 G78 I81R71-L75 HydrophobicContact CG-CD1 4.07Å; R71-L75 WeakPolarHBondContact O-CG 3.39Å; R71-L75 PolarHBondContact O-N 3.3Å; H72-L75 PolarHBondContact O-N 3.17Å; V73-L75 PolarHBondContact O-N 2.8Å; L75-C77 VanDerWaalsContact C-N 3.26Å; L75-C77 PolarHBondContact O-N 3.28Å; L75-G78 PolarHBondContact O-N 2.96Å; L75-G78 VanDerWaalsContact O-N 3.08Å; L75-I81 HydrophobicContact CD2-CG1 4.17Å
76R98.8Very high98.6Very high94 Ų9450.7 Ų50.736%0.35528%0.281SS..Hα-helixtrans-72-19.2179.8-65.9-178.8-166.81802.5113.3D31 E34 K38 D65 H72 V73 G74 G78D31-R76 IonicContact OD1-CZ 3.75Å; D31-R76 IonicContact OD1-NH1 3.87Å; D31-R76 PolarHBondContact OD1-NH1 3.13Å; E34-R76 HydrophobicContact CG-CB 3.92Å; E34-R76 WeakPolarHBondContact OE2-CD 3.34Å; E34-R76 IonicContact OE2-CZ 2.81Å; E34-R76 IonicContact OE2-NE 3.19Å; E34-R76 IonicContact OE2-NH1 3.97Å; E34-R76 PolarHBondContact OE2-NH1 2.94Å; K38-R76 WeakPolarHBondContact CE-O 3.42Å; K38-R76 PolarHBondContact NZ-O 2.93Å; D65-R76 IonicContact OD2-NH2 2.69Å; H72-R76 VanDerWaalsContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CB 3.38Å; H72-R76 WeakPolarHBondContact O-CG 3.42Å; H72-R76 PolarHBondContact O-N 2.9Å; V73-R76 PolarHBondContact O-N 2.91Å; G74-R76 PolarHBondContact O-N 3.42Å; R76-G78 VanDerWaalsContact C-N 3.32Å
77C98.7Very high98.7Very high12 Ų1252.9 Ų52.98%0.08129%0.293CS..THydrogen-bonded Turntrans-86.1-1.5170.6-64.80000113.4A37 L41 P48 V73 G74 L75 V79A37-C77 VanDerWaalsContact CB-SG 3.58Å; L41-C77 HydrophobicContact CD1-CB 3.89Å; P48-C77 WeakPolarHBondContact CG-O 3.46Å; V73-C77 WeakPolarHBondContact O-CB 3.48Å; V73-C77 PolarHBondContact O-N 2.78Å; V73-C77 PolarHBondContact O-SG 3.19Å; G74-C77 PolarHBondContact O-N 3.11Å; L75-C77 VanDerWaalsContact C-N 3.26Å; L75-C77 PolarHBondContact O-N 3.28Å; C77-V79 HydrophobicContact CB-CG2 4.4Å
78G98.7Very high98.7Very high44 Ų4450.4 Ų50.445%0.45428%0.277SS..THydrogen-bonded Turntrans81.411.9-178.500000114.3P48 G74 L75 R76P48-G78 WeakPolarHBondContact CB-O 3.44Å; G74-G78 PolarHBondContact O-N 3.45Å; L75-G78 PolarHBondContact O-N 2.96Å; L75-G78 VanDerWaalsContact O-N 3.08Å; R76-G78 VanDerWaalsContact C-N 3.32Å
79V98.8Very high98.7Very high6 Ų648.2 Ų48.24%0.03628%0.275CS..  trans-63.5135.8174.4-177.80000109.1P48 I51 I54 G74 C77 A83P48-V79 HydrophobicContact CB-CG2 4.43Å; I51-V79 HydrophobicContact CB-CG1 3.81Å; I51-V79 HydrophobicContact CB-CG2 4.05Å; I51-V79 HydrophobicContact CG1-CG2 4.17Å; I51-V79 HydrophobicContact CG2-CG1 3.9Å; I51-V79 HydrophobicContact CG2-CG2 4.19Å; I54-V79 HydrophobicContact CD1-CB 4.31Å; I54-V79 HydrophobicContact CD1-CG1 3.75Å; I54-V79 HydrophobicContact CG1-CG1 4.42Å; I54-V79 HydrophobicContact CG1-CG2 4.49Å; G74-V79 VanDerWaalsContact O-CB 3.3Å; G74-V79 WeakPolarHBondContact O-CB 3.44Å; G74-V79 WeakPolarHBondContact O-CG2 3.32Å; G74-V79 PolarHBondContact O-N 3.26Å; C77-V79 HydrophobicContact CB-CG2 4.4Å; V79-A83 HydrophobicContact CG1-CB 3.68Å
80P98.4Very high98.7Very high47 Ų4751.5 Ų51.531%0.30529%0.287SS..  trans-55143.2-176-29.436000114P48 E49 P82 A83P48-P80 WeakPolarHBondContact O-CD 3.29Å; E49-P80 HydrophobicContact CB-CG 4.36Å; E49-P80 HydrophobicContact CG-CG 4.42Å; P80-P82 VanDerWaalsContact C-N 3.28Å; P80-P82 VanDerWaalsContact O-N 3.17Å; P80-A83 WeakPolarHBondContact O-CB 3.44Å; P80-A83 PolarHBondContact O-N 2.84Å
81I98.4Very high98.7Very high128 Ų12854.3 Ų54.366%0.65630%0.302SS*.THydrogen-bonded Turntrans-50.6-40.9179.1-65.1172.9000112.9R71 L75 A83R71-I81 PolarHBondContact NH1-O 3.31Å; R71-I81 PolarHBondContact NH2-O 2.74Å; L75-I81 HydrophobicContact CD2-CG1 4.17Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.69Å
82P98.3Very high98.7Very high119 Ų11951.5 Ų51.577%0.77329%0.293SS*.THydrogen-bonded Turntrans-65.1-21179.4-25.136.7000115.5P80 P84P80-P82 VanDerWaalsContact C-N 3.28Å; P80-P82 VanDerWaalsContact O-N 3.17Å; P82-P84 WeakPolarHBondContact O-CD 3.48Å
83A98.6Very high98.7Very high8 Ų848.9 Ų48.97%0.06628%0.281CS..SBendtrans-68.8123.7-179.300000110.7I54 R71 V79 P80 I81I54-A83 HydrophobicContact CD1-CB 4.2Å; R71-A83 PolarHBondContact NH1-O 3.1Å; V79-A83 HydrophobicContact CG1-CB 3.68Å; P80-A83 WeakPolarHBondContact O-CB 3.44Å; P80-A83 PolarHBondContact O-N 2.84Å; I81-A83 VanDerWaalsContact C-N 3.26Å; I81-A83 PolarHBondContact O-N 2.69Å
84P98.8Very high98.7Very high82 Ų8248.9 Ų48.953%0.53228%0.281SS..  trans-68.3163.9177.828.7-38.3000112.9N52 I54 P82N52-P84 VanDerWaalsContact O-CD 3.3Å; N52-P84 WeakPolarHBondContact O-CD 3.48Å; I54-P84 WeakPolarHBondContact CD1-O 3.22Å; I54-P84 PolarHBondContact N-O 2.64Å; I54-P84 VanDerWaalsContact N-O 3.1Å; P82-P84 WeakPolarHBondContact O-CD 3.48Å
85A98.9Very high98.7Very high35 Ų3548.9 Ų48.929%0.28928%0.281SS..EExtended strand (participates in β ladder)trans-139.2140.6174.700000111.5I54 A70 R71I54-A85 HydrophobicContact CB-CB 4.01Å; I54-A85 HydrophobicContact CD1-CB 4.33Å; I54-A85 CarbonylContact O-C 3.55Å; I54-A85 VanDerWaalsContact O-CA 3.23Å; I54-A85 WeakPolarHBondContact O-CA 3.34Å; A70-A85 HydrophobicContact CB-CB 3.98Å; R71-A85 VanDerWaalsContact CA-CB 3.49Å; R71-A85 HydrophobicContact CB-CB 3.92Å
86L98.9Very high98.7Very high77 Ų7745.4 Ų45.440%0.40326%0.263SS..EExtended strand (participates in β ladder)trans-129.7127-178.6178.964.4000110.9I54 I55 M56 A70 V88I54-L86 PolarHBondContact O-N 2.91Å; I55-L86 CarbonylContact C-O 3.58Å; I55-L86 VanDerWaalsContact CA-O 3.3Å; I55-L86 WeakPolarHBondContact CA-O 3.31Å; I55-L86 HydrophobicContact CG2-CB 4.43Å; I55-L86 HydrophobicContact CG2-CD2 4.44Å; M56-L86 PolarHBondContact N-O 2.67Å; A70-L86 VanDerWaalsContact CB-C 3.49Å; A70-L86 WeakPolarHBondContact CB-O 3.4Å; L86-V88 HydrophobicContact CD2-CG1 3.73Å; L86-V88 HydrophobicContact CG-CG1 3.81Å
87T98.9Very high98.7Very high47 Ų4741.5 Ų41.529%0.28825%0.248SC..EExtended strand (participates in β ladder)trans-93.9125.8166.8-53.60000108.8M56 N58 I69 A70M56-T87 CarbonylContact O-C 3.46Å; M56-T87 VanDerWaalsContact O-CA 3.29Å; M56-T87 WeakPolarHBondContact O-CA 3.21Å; N58-T87 HydrophobicContact CB-CG2 4.02Å; I69-T87 HydrophobicContact CG2-CG2 3.52Å; I69-T87 VanDerWaalsContact CG2-OG1 3.28Å; I69-T87 WeakPolarHBondContact CG2-OG1 3.21Å; A70-T87 WeakPolarHBondContact CB-OG1 3.14Å; A70-T87 PolarHBondContact N-OG1 3.02Å
88V98.8Very high98.7Very high17 Ų1740.9 Ų40.910%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-112.2143.9178.4-60.90000111.2I55 M56 G57 N58 L86 Q97I55-V88 HydrophobicContact CG2-CG1 3.91Å; I55-V88 HydrophobicContact CG2-CG2 4.26Å; M56-V88 PolarHBondContact O-N 3.25Å; G57-V88 WeakPolarHBondContact CA-O 3.42Å; N58-V88 PolarHBondContact N-O 2.89Å; N58-V88 VanDerWaalsContact N-O 3.09Å; L86-V88 HydrophobicContact CD2-CG1 3.73Å; L86-V88 HydrophobicContact CG-CG1 3.81Å; V88-Q97 HydrophobicContact CG2-CB 4.43Å; V88-Q97 HydrophobicContact CG2-CG 4.3Å
89N98.8Very high98.7Very high94 Ų9438.9 Ų38.950%0.50322%0.223SC..  trans-129109.9174.1-176.1-6.1000109.9V59 L91V59-N89 PolarHBondContact O-ND2 3.28Å; N89-L91 PolarHBondContact OD1-N 3Å
90R98.8Very high98.7Very high68 Ų6838.8 Ų38.826%0.25722%0.222SC..  trans-127.146.4164.4-161.9-169.7-69.7-74.2-4.3109.5C92 G93 S94 Q97 I383R90-C92 PolarHBondContact O-N 3.36Å; R90-G93 WeakPolarHBondContact O-CA 3.38Å; R90-G93 PolarHBondContact O-N 2.9Å; R90-S94 PolarHBondContact N-OG 2.72Å; R90-Q97 HydrophobicContact CB-CB 4.24Å; R90-Q97 HydrophobicContact CB-CG 4.33Å; R90-I383 HydrophobicContact CG-CD1 3.87Å; R90-I383 HydrophobicContact CG-CG2 4.35Å; R90-I383 WeakPolarHBondContact O-CG2 3.36Å
91L98.4Very high98.7Very high61 Ų6138.4 Ų38.432%0.31922%0.218SC..G310 helixtrans43.8-129.9-175.2-76.373.4000111.1V59 N89 G93 S94 I383V59-L91 HydrophobicContact CG1-CB 4.44Å; V59-L91 HydrophobicContact CG1-CG 4.12Å; V59-L91 VanDerWaalsContact CG2-C 3.49Å; V59-L91 WeakPolarHBondContact CG2-O 3.47Å; N89-L91 PolarHBondContact OD1-N 3Å; L91-G93 PolarHBondContact O-N 2.82Å; L91-S94 PolarHBondContact N-OG 3.36Å; L91-S94 WeakPolarHBondContact O-CB 3.43Å; L91-S94 PolarHBondContact O-N 3.33Å; L91-S94 PolarHBondContact O-OG 3.37Å; L91-I383 HydrophobicContact CB-CG2 3.79Å
92C98.1Very high98.8Very high14 Ų1432.3 Ų32.310%0.09519%0.187CC..G310 helixtrans-55.4-21.1-179.4-52.10000114.1R90 H352 C382R90-C92 PolarHBondContact O-N 3.36Å; C92-H352 PolarHBondContact SG-NE2 2.87Å; C92-C382 VanDerWaalsContact CB-O 3.25Å; C92-C382 WeakPolarHBondContact CB-O 3.44Å
93G98.6Very high98.8Very high0 Ų026.7 Ų26.70%015%0.15CC..G310 helixtrans-88.1-1.5178.400000114.7R90 L91 G95 F96 Q97R90-G93 WeakPolarHBondContact O-CA 3.38Å; R90-G93 PolarHBondContact O-N 2.9Å; L91-G93 PolarHBondContact O-N 2.82Å; G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 3.08Å; G93-F96 WeakPolarHBondContact O-CB 3.43Å; G93-F96 PolarHBondContact O-N 2.83Å; G93-F96 VanDerWaalsContact O-N 3.07Å; G93-Q97 WeakPolarHBondContact O-CB 3.49Å; G93-Q97 PolarHBondContact O-N 3.31Å
94S98.9Very high98.8Very high0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-60.6-38.4-169.3-55.20000113.7R90 L91 F96 Q97 S98R90-S94 PolarHBondContact N-OG 2.72Å; L91-S94 PolarHBondContact N-OG 3.36Å; L91-S94 WeakPolarHBondContact O-CB 3.43Å; L91-S94 PolarHBondContact O-N 3.33Å; L91-S94 PolarHBondContact O-OG 3.37Å; S94-F96 VanDerWaalsContact C-N 3.35Å; S94-F96 PolarHBondContact O-N 2.89Å; S94-Q97 PolarHBondContact O-N 3.08Å; S94-S98 PolarHBondContact O-N 3.15Å
95G98.9Very high98.8Very high0 Ų027.5 Ų27.50%015%0.145CC..Hα-helixtrans-68.6-29.6176.800000113.9G93 S98 I99 G355G93-G95 VanDerWaalsContact C-N 3.34Å; G93-G95 PolarHBondContact O-N 3.08Å; G95-S98 PolarHBondContact O-OG 2.81Å; G95-I99 WeakPolarHBondContact O-CD1 3.31Å; G95-G355 VanDerWaalsContact CA-O 3.29Å; G95-G355 WeakPolarHBondContact CA-O 3.18Å; G95-G355 PolarHBondContact N-O 3.02Å
96F98.9Very high98.8Very high0 Ų025.9 Ų25.90%013%0.132CC..Hα-helixtrans-74.7-40.2168.5-70.7-67.2000110.8G93 S94 S98 I99 I100 G358 I361 T362 A381 I389 I391G93-F96 WeakPolarHBondContact O-CB 3.43Å; G93-F96 PolarHBondContact O-N 2.83Å; G93-F96 VanDerWaalsContact O-N 3.07Å; S94-F96 VanDerWaalsContact C-N 3.35Å; S94-F96 PolarHBondContact O-N 2.89Å; F96-S98 VanDerWaalsContact C-N 3.3Å; F96-S98 PolarHBondContact O-N 2.71Å; F96-I99 WeakPolarHBondContact O-CB 3.46Å; F96-I99 PolarHBondContact O-N 2.87Å; F96-I99 VanDerWaalsContact O-N 3.17Å; F96-I100 PolarHBondContact O-N 2.92Å; F96-G358 WeakPolarHBondContact CD1-O 3.21Å; F96-G358 VanDerWaalsContact CE1-O 3.29Å; F96-G358 WeakPolarHBondContact CE1-O 3.24Å; F96-I361 HydrophobicContact CE1-CB 4.22Å; F96-I361 HydrophobicContact CE1-CG2 4.08Å; F96-I361 HydrophobicContact CE2-CD1 4.01Å; F96-I361 HydrophobicContact CZ-CB 3.67Å; F96-I361 HydrophobicContact CZ-CD1 3.87Å; F96-I361 HydrophobicContact CZ-CG1 4.35Å; F96-I361 HydrophobicContact CZ-CG2 3.61Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.45Å; F96-T362 VanDerWaalsContact CE1-OG1 3.23Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.47Å; F96-A381 HydrophobicContact CD2-CB 4.22Å; F96-A381 HydrophobicContact CE2-CB 3.81Å; F96-I389 HydrophobicContact CB-CD1 3.5Å; F96-I389 VanDerWaalsContact CB-CD1 3.5Å; F96-I389 HydrophobicContact CB-CG1 3.8Å; F96-I389 HydrophobicContact CB-CG2 4.04Å; F96-I389 HydrophobicContact CD2-CG2 3.61Å; F96-I389 HydrophobicContact CE2-CG2 4.39Å; F96-I389 HydrophobicContact CG-CG1 4.48Å; F96-I389 HydrophobicContact CG-CG2 4.13Å; F96-I391 HydrophobicContact CB-CD1 4.16Å; F96-I391 HydrophobicContact CD1-CD1 3.81Å; F96-I391 HydrophobicContact CD1-CG1 3.99Å; F96-I391 HydrophobicContact CG-CD1 4.48Å
97Q98.9Very high98.8Very high12 Ų1222.8 Ų22.86%0.05612%0.117CC..Hα-helixtrans-61.8-38.1-177.7-176.955.265.300111.7V88 R90 G93 S94 I99 I100 N101 I389V88-Q97 HydrophobicContact CG2-CB 4.43Å; V88-Q97 HydrophobicContact CG2-CG 4.3Å; R90-Q97 HydrophobicContact CB-CB 4.24Å; R90-Q97 HydrophobicContact CB-CG 4.33Å; G93-Q97 WeakPolarHBondContact O-CB 3.49Å; G93-Q97 PolarHBondContact O-N 3.31Å; S94-Q97 PolarHBondContact O-N 3.08Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 2.97Å; Q97-I100 PolarHBondContact O-N 3.07Å; Q97-N101 WeakPolarHBondContact CG-OD1 3.23Å; Q97-N101 PolarHBondContact NE2-OD1 2.99Å; Q97-N101 PolarHBondContact O-N 2.8Å; Q97-N101 PolarHBondContact O-OD1 3.24Å; Q97-I389 HydrophobicContact CB-CD1 4.2Å
98S98.9Very high98.7Very high0 Ų025.9 Ų25.90%013%0.131CC..Hα-helixtrans-60.9-40175.962.20000112.6I55 S94 G95 F96 N101 G102 C116 G117I55-S98 WeakPolarHBondContact O-CB 3.45Å; S94-S98 PolarHBondContact O-N 3.15Å; G95-S98 PolarHBondContact O-OG 2.81Å; F96-S98 VanDerWaalsContact C-N 3.3Å; F96-S98 PolarHBondContact O-N 2.71Å; S98-N101 PolarHBondContact O-N 3.38Å; S98-G102 PolarHBondContact O-N 2.91Å; S98-C116 PolarHBondContact O-SG 3.44Å; S98-G117 VanDerWaalsContact CB-O 3.28Å; S98-G117 WeakPolarHBondContact CB-O 3.15Å; S98-G117 PolarHBondContact OG-N 2.84Å; S98-G117 PolarHBondContact OG-O 3.35Å
99I98.9Very high98.7Very high1 Ų132.9 Ų32.91%0.00516%0.155CC..Hα-helixtrans-64.8-43.1174.5-60.7157.4000110.7G95 F96 Q97 G102 A103 C116 L260 I279 T362 I391G95-I99 WeakPolarHBondContact O-CD1 3.31Å; F96-I99 WeakPolarHBondContact O-CB 3.46Å; F96-I99 PolarHBondContact O-N 2.87Å; F96-I99 VanDerWaalsContact O-N 3.17Å; Q97-I99 VanDerWaalsContact C-N 3.31Å; Q97-I99 PolarHBondContact O-N 2.97Å; I99-G102 PolarHBondContact O-N 3.01Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.03Å; I99-C116 HydrophobicContact CG1-CB 3.98Å; I99-L260 HydrophobicContact CD1-CD1 4.01Å; I99-L260 HydrophobicContact CD1-CD2 4.25Å; I99-L260 HydrophobicContact CG1-CD1 4.37Å; I99-I279 HydrophobicContact CG2-CD1 3.5Å; I99-I279 VanDerWaalsContact CG2-CD1 3.5Å; I99-T362 HydrophobicContact CD1-CG2 3.8Å; I99-T362 WeakPolarHBondContact CD1-OG1 3.24Å; I99-I391 HydrophobicContact CB-CD1 3.94Å; I99-I391 HydrophobicContact CD1-CD1 4.23Å; I99-I391 HydrophobicContact CG2-CD1 3.87Å
100I98.9Very high98.7Very high4 Ų434.8 Ų34.82%0.02116%0.161CC..Hα-helixtrans-63.1-43.7176.7-67.3179.4000111.1F96 Q97 A103 H104 Y282 V284 I389 I391F96-I100 PolarHBondContact O-N 2.92Å; Q97-I100 PolarHBondContact O-N 3.07Å; I100-A103 PolarHBondContact O-N 3.27Å; I100-H104 WeakPolarHBondContact CG2-NE2 3.42Å; I100-H104 PolarHBondContact O-CD2 3.48Å; I100-H104 VanDerWaalsContact O-CD2 3.23Å; I100-H104 VanDerWaalsContact O-CG 3.29Å; I100-H104 PolarHBondContact O-N 3.39Å; I100-Y282 HydrophobicContact CB-CD2 4.44Å; I100-Y282 HydrophobicContact CD1-CD2 3.85Å; I100-Y282 HydrophobicContact CD1-CG 3.97Å; I100-Y282 HydrophobicContact CG1-CD1 4.36Å; I100-Y282 HydrophobicContact CG1-CD2 3.94Å; I100-Y282 HydrophobicContact CG1-CG 3.82Å; I100-Y282 HydrophobicContact CG2-CD2 3.73Å; I100-Y282 HydrophobicContact CG2-CE2 3.62Å; I100-Y282 HydrophobicContact CG2-CG 4.36Å; I100-V284 HydrophobicContact CD1-CG2 4.09Å; I100-I389 HydrophobicContact CD1-CD1 3.57Å; I100-I389 HydrophobicContact CD1-CG1 3.86Å; I100-I391 HydrophobicContact CD1-CG1 4.36Å; I100-I391 HydrophobicContact CG1-CD1 4Å; I100-I391 HydrophobicContact CG1-CG1 4.22Å
101N98.9Very high98.6Very high40 Ų4031.9 Ų31.921%0.21415%0.151CC..Hα-helixtrans-62.3-42.6176.1-77.5110.8000111.6I55 Q97 S98 A103 H104 E105I55-N101 HydrophobicContact CD1-CB 3.67Å; I55-N101 HydrophobicContact CG2-CB 4.15Å; Q97-N101 WeakPolarHBondContact CG-OD1 3.23Å; Q97-N101 PolarHBondContact NE2-OD1 2.99Å; Q97-N101 PolarHBondContact O-N 2.8Å; Q97-N101 PolarHBondContact O-OD1 3.24Å; S98-N101 PolarHBondContact O-N 3.38Å; N101-A103 VanDerWaalsContact C-N 3.32Å; N101-A103 PolarHBondContact O-N 2.52Å; N101-H104 WeakPolarHBondContact O-CB 3.35Å; N101-H104 PolarHBondContact O-N 3.26Å; N101-H104 VanDerWaalsContact O-N 3.1Å; N101-E105 PolarHBondContact O-N 3.47Å
102G98.8Very high98.6Very high0 Ų031.5 Ų31.50%015%0.148CC..Hα-helixtrans-65.1-37.7176.200000112.1S98 I99 H104 E105 I106 I262S98-G102 PolarHBondContact O-N 2.91Å; I99-G102 PolarHBondContact O-N 3.01Å; G102-H104 VanDerWaalsContact C-N 3.29Å; G102-H104 PolarHBondContact O-N 2.94Å; G102-E105 PolarHBondContact O-N 2.85Å; G102-I106 WeakPolarHBondContact O-CG1 3.44Å; G102-I106 PolarHBondContact O-N 3.29Å; G102-I262 VanDerWaalsContact C-CD1 3.45Å
103A98.8Very high98.7Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-63.3-35172.100000112.2L3 V7 I99 I100 N101 C107 Y282L3-A103 HydrophobicContact CD2-CB 4.37Å; V7-A103 HydrophobicContact CG1-CB 4.27Å; V7-A103 HydrophobicContact CG2-CB 4.47Å; I99-A103 WeakPolarHBondContact O-CB 3.45Å; I99-A103 PolarHBondContact O-N 3.03Å; I100-A103 PolarHBondContact O-N 3.27Å; N101-A103 VanDerWaalsContact C-N 3.32Å; N101-A103 PolarHBondContact O-N 2.52Å; A103-C107 WeakPolarHBondContact O-CB 3.28Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 2.99Å; A103-Y282 HydrophobicContact CB-CE1 4.17Å
104H98.6Very high98.7Very high75 Ų7530.9 Ų30.935%0.34714%0.143SC..Hα-helixtrans-63.3-51.5173-65.9176.7000111.4I100 N101 G102 I106 C107 L108 Y282I100-H104 WeakPolarHBondContact CG2-NE2 3.42Å; I100-H104 PolarHBondContact O-CD2 3.48Å; I100-H104 VanDerWaalsContact O-CD2 3.23Å; I100-H104 VanDerWaalsContact O-CG 3.29Å; I100-H104 PolarHBondContact O-N 3.39Å; N101-H104 WeakPolarHBondContact O-CB 3.35Å; N101-H104 PolarHBondContact O-N 3.26Å; N101-H104 VanDerWaalsContact O-N 3.1Å; G102-H104 VanDerWaalsContact C-N 3.29Å; G102-H104 PolarHBondContact O-N 2.94Å; H104-I106 VanDerWaalsContact C-N 3.28Å; H104-I106 PolarHBondContact O-N 3.01Å; H104-C107 PolarHBondContact O-N 3.14Å; H104-L108 WeakPolarHBondContact O-CB 3.23Å; H104-L108 WeakPolarHBondContact O-CG 3.5Å; H104-L108 PolarHBondContact O-N 3.23Å; H104-Y282 AromaticContact CD2-CZ 3.79Å; H104-Y282 PolarHBondContact CD2-OH 3.48Å; H104-Y282 AromaticContact NE2-CE2 3.42Å; H104-Y282 WeakPolarHBondContact NE2-CE2 3.44Å; H104-Y282 AromaticContact NE2-CZ 3.58Å; H104-Y282 PolarHBondContact NE2-OH 2.91Å; H104-Y282 VanDerWaalsContact NE2-OH 3.1Å
105E98.8Very high98.7Very high33 Ų3330.9 Ų30.915%0.15414%0.143CC..Hα-helixtrans-57.8-42.4178.7-67.9-176.7-171.800111.4S53 I55 N101 G102 L108 R109 E110 S111S53-E105 WeakPolarHBondContact CB-OE2 3.47Å; S53-E105 PolarHBondContact OG-OE1 2.85Å; S53-E105 PolarHBondContact OG-OE2 3.41Å; I55-E105 WeakPolarHBondContact CD1-OE1 3.26Å; N101-E105 PolarHBondContact O-N 3.47Å; G102-E105 PolarHBondContact O-N 2.85Å; E105-L108 PolarHBondContact O-N 3.2Å; E105-R109 PolarHBondContact O-N 3.35Å; E105-R109 VanDerWaalsContact O-N 3.16Å; E105-E110 HydrophobicContact CB-CB 4.27Å; E105-E110 PolarHBondContact O-N 3.03Å; E105-S111 PolarHBondContact O-N 3.26Å; E105-S111 PolarHBondContact OE2-OG 2.81Å
106I98.8Very high98.7Very high0 Ų030.9 Ų30.90%014%0.143CC..Hα-helixtrans-63.7-49.9175.3-68.5167.9000111.2R5 V7 G102 H104 L108 R109 S111 V114 I262R5-I106 WeakPolarHBondContact CD-O 3.39Å; R5-I106 PolarHBondContact NH1-O 2.78Å; V7-I106 HydrophobicContact CG1-CD1 4.02Å; V7-I106 HydrophobicContact CG2-CB 4.24Å; V7-I106 HydrophobicContact CG2-CG2 3.83Å; G102-I106 WeakPolarHBondContact O-CG1 3.44Å; G102-I106 PolarHBondContact O-N 3.29Å; H104-I106 VanDerWaalsContact C-N 3.28Å; H104-I106 PolarHBondContact O-N 3.01Å; I106-L108 PolarHBondContact O-N 3.38Å; I106-R109 PolarHBondContact O-N 2.81Å; I106-S111 VanDerWaalsContact CA-O 3.3Å; I106-S111 WeakPolarHBondContact CA-O 3.23Å; I106-V114 HydrophobicContact CD1-CG2 4.15Å; I106-V114 HydrophobicContact CG1-CG2 4.06Å; I106-I262 HydrophobicContact CD1-CB 4.46Å; I106-I262 HydrophobicContact CD1-CD1 3.91Å; I106-I262 HydrophobicContact CD1-CG1 3.83Å
107C98.4Very high98.7Very high13 Ų1330.9 Ų30.99%0.08814%0.143CC..Hα-helixtrans-56.8-38.7179.7-79.30000112.2I4 A103 H104 R109I4-C107 HydrophobicContact CD1-CB 3.81Å; I4-C107 WeakPolarHBondContact CD1-O 3.39Å; I4-C107 HydrophobicContact CG1-CB 3.48Å; I4-C107 VanDerWaalsContact CG1-CB 3.48Å; A103-C107 WeakPolarHBondContact O-CB 3.28Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 2.99Å; H104-C107 PolarHBondContact O-N 3.14Å; C107-R109 VanDerWaalsContact C-N 3.29Å; C107-R109 PolarHBondContact O-N 3.02Å
108L98.1Very high98.7Very high111 Ų11130.3 Ų30.358%0.58114%0.141SC*.THydrogen-bonded Turntrans-83.31179.4-63.6175.7000114.1H104 E105 I106 E110H104-L108 WeakPolarHBondContact O-CB 3.23Å; H104-L108 WeakPolarHBondContact O-CG 3.5Å; H104-L108 PolarHBondContact O-N 3.23Å; E105-L108 PolarHBondContact O-N 3.2Å; I106-L108 PolarHBondContact O-N 3.38Å; L108-E110 HydrophobicContact CB-CG 4.08Å; L108-E110 PolarHBondContact O-N 2.83Å
109R98.3Very high98.7Very high164 Ų16430.3 Ų30.362%0.61914%0.141SC*.THydrogen-bonded Turntrans6130.2-177-55.6179.4170.2-84.5-4.8113.3E105 I106 C107 E266E105-R109 PolarHBondContact O-N 3.35Å; E105-R109 VanDerWaalsContact O-N 3.16Å; I106-R109 PolarHBondContact O-N 2.81Å; C107-R109 VanDerWaalsContact C-N 3.29Å; C107-R109 PolarHBondContact O-N 3.02Å; R109-E266 IonicContact NH2-OE1 2.6Å
110E98.3Very high98.7Very high135 Ų13530.3 Ų30.363%0.63114%0.141SC*.SBendtrans-88.2-26.4173-63.7175.9167.500111.5E105 L108E105-E110 HydrophobicContact CB-CB 4.27Å; E105-E110 PolarHBondContact O-N 3.03Å; L108-E110 HydrophobicContact CB-CG 4.08Å; L108-E110 PolarHBondContact O-N 2.83Å
111S98.4Very high98.7Very high6 Ų630.1 Ų30.14%0.04214%0.14CC..  trans-140.3156.1177-68.70000110.6S53 E105 I106 V114S53-S111 WeakPolarHBondContact CB-OG 3.41Å; E105-S111 PolarHBondContact O-N 3.26Å; E105-S111 PolarHBondContact OE2-OG 2.81Å; I106-S111 VanDerWaalsContact CA-O 3.3Å; I106-S111 WeakPolarHBondContact CA-O 3.23Å; S111-V114 VanDerWaalsContact CB-CG2 3.49Å
112E98.4Very high98.7Very high53 Ų5328.4 Ų28.425%0.24813%0.131CC..SBendtrans-117.8-32.1175.2-66.3-62.3137.900112.1R5 N52 S263 S264 A267R5-E112 IonicContact CZ-OE1 2.73Å; R5-E112 IonicContact CZ-OE2 3.52Å; R5-E112 IonicContact NH1-OE1 3.58Å; R5-E112 PolarHBondContact NH1-OE1 3.33Å; R5-E112 IonicContact NH1-OE2 3.94Å; R5-E112 VanDerWaalsContact NH2-CD 3.3Å; R5-E112 IonicContact NH2-OE1 3.36Å; R5-E112 PolarHBondContact NH2-OE1 3.39Å; R5-E112 IonicContact NH2-OE2 3.8Å; R5-E112 PolarHBondContact NH2-OE2 2.67Å; N52-E112 WeakPolarHBondContact OD1-CA 3.46Å; N52-E112 WeakPolarHBondContact OD1-CB 3.35Å; N52-E112 PolarHBondContact OD1-N 3.27Å; E112-S263 CarbonylContact O-C 3.56Å; E112-S263 VanDerWaalsContact O-CA 3.29Å; E112-S263 WeakPolarHBondContact O-CA 3.4Å; E112-S263 PolarHBondContact O-OG 3.12Å; E112-S264 PolarHBondContact O-N 3.19Å; E112-S264 WeakPolarHBondContact OE2-CB 3.34Å; E112-S264 PolarHBondContact OE2-OG 3.39Å; E112-A267 HydrophobicContact CB-CB 4.07Å
113V98.8Very high98.7Very high1 Ų129.6 Ų29.61%0.00614%0.139CC..EExtended strand (participates in β ladder)trans-133.8126.9171-167.90000109.5V46 L50 I51 N52 V261 I262 A267V46-V113 HydrophobicContact CG1-CG1 4.39Å; L50-V113 HydrophobicContact CB-CG2 4.41Å; L50-V113 WeakPolarHBondContact O-CB 3.49Å; I51-V113 HydrophobicContact CD1-CB 4.47Å; I51-V113 HydrophobicContact CD1-CG1 3.68Å; N52-V113 PolarHBondContact N-O 2.95Å; N52-V113 PolarHBondContact OD1-N 2.87Å; V113-V261 HydrophobicContact CG1-CG1 3.51Å; V113-I262 WeakPolarHBondContact CA-O 3.4Å; V113-A267 HydrophobicContact CG2-CB 3.95Å
114V98.9Very high98.7Very high0 Ų032.2 Ų32.20%015%0.151CC..EExtended strand (participates in β ladder)trans-125.5132.1-176-1730000109.8S53 I55 I106 S111 I262S53-V114 WeakPolarHBondContact O-CA 3.26Å; S53-V114 WeakPolarHBondContact O-CG1 3.17Å; I55-V114 HydrophobicContact CD1-CG1 4.02Å; I55-V114 HydrophobicContact CG1-CG1 4.02Å; I106-V114 HydrophobicContact CD1-CG2 4.15Å; I106-V114 HydrophobicContact CG1-CG2 4.06Å; S111-V114 VanDerWaalsContact CB-CG2 3.49Å; V114-I262 HydrophobicContact CB-CD1 4.3Å; V114-I262 HydrophobicContact CB-CG1 3.85Å; V114-I262 PolarHBondContact N-O 3.45Å; V114-I262 PolarHBondContact O-N 2.93Å
115L98.9Very high98.6Very high0 Ų029.4 Ų29.40%014%0.142CC..EExtended strand (participates in β ladder)trans-86.3107.2168.7175.362.6000108.5A37 I51 S53 I54 I55 M56 V73 A259 V261A37-L115 HydrophobicContact CB-CD1 4.12Å; A37-L115 HydrophobicContact CB-CD2 3.9Å; I51-L115 HydrophobicContact CD1-CB 4.29Å; I51-L115 HydrophobicContact CG2-CB 3.89Å; S53-L115 PolarHBondContact O-N 3.44Å; I54-L115 CarbonylContact C-O 3.36Å; I54-L115 WeakPolarHBondContact CA-O 3.41Å; I54-L115 HydrophobicContact CG1-CB 4.45Å; I54-L115 HydrophobicContact CG1-CD2 4.4Å; I54-L115 HydrophobicContact CG2-CB 4.47Å; I54-L115 HydrophobicContact CG2-CD2 4.09Å; I54-L115 HydrophobicContact CG2-CG 4.34Å; I55-L115 PolarHBondContact N-O 2.79Å; M56-L115 HydrophobicContact CE-CD1 4.33Å; M56-L115 HydrophobicContact CE-CD2 4.24Å; M56-L115 HydrophobicContact CE-CG 3.71Å; V73-L115 HydrophobicContact CG1-CD2 4.37Å; L115-A259 HydrophobicContact CD1-CB 4.38Å; L115-V261 HydrophobicContact CD1-CG2 4.2Å
116C98.9Very high98.6Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-105.4156178.3-59.70000110.5I55 M56 S98 I99 A259 L260I55-C116 CarbonylContact O-C 3.59Å; I55-C116 WeakPolarHBondContact O-CA 3.45Å; M56-C116 VanDerWaalsContact CE-C 3.47Å; S98-C116 PolarHBondContact O-SG 3.44Å; I99-C116 HydrophobicContact CG1-CB 3.98Å; C116-A259 CarbonylContact O-C 3.5Å; C116-A259 WeakPolarHBondContact O-CA 3.17Å; C116-L260 PolarHBondContact N-O 3.18Å; C116-L260 PolarHBondContact O-N 3.24Å
117G98.7Very high98.6Very high0 Ų037.3 Ų37.30%018%0.178CC..EExtended strand (participates in β ladder)trans175.1-167173.100000113.5I55 G57 S98 A258I55-G117 PolarHBondContact O-N 3.38Å; G57-G117 PolarHBondContact N-O 2.78Å; S98-G117 VanDerWaalsContact CB-O 3.28Å; S98-G117 WeakPolarHBondContact CB-O 3.15Å; S98-G117 PolarHBondContact OG-N 2.84Å; S98-G117 PolarHBondContact OG-O 3.35Å; G117-A258 CarbonylContact C-O 3.59Å; G117-A258 WeakPolarHBondContact CA-O 3.24Å
118G98.8Very high98.6Very high1 Ų137.9 Ų37.91%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-159.7151.5171.400000111.3G57 A257 A258 G355 A356G57-G118 CarbonylContact O-C 3.6Å; G57-G118 WeakPolarHBondContact O-CA 3.27Å; G118-A257 CarbonylContact O-C 3.44Å; G118-A257 VanDerWaalsContact O-CA 3.28Å; G118-A257 WeakPolarHBondContact O-CA 3.4Å; G118-A258 PolarHBondContact N-O 3.37Å; G118-A258 PolarHBondContact O-N 3.1Å; G118-G355 WeakPolarHBondContact CA-O 3.44Å; G118-A356 WeakPolarHBondContact O-CA 3.28Å; G118-A356 WeakPolarHBondContact O-CB 3.34Å
119S98.9Very high98.5Very high0 Ų035.5 Ų35.50%017%0.174CC..EExtended strand (participates in β ladder)trans-148.2143.4-177.9-172.60000111.3A29 G57 N58 A257A29-S119 WeakPolarHBondContact CA-OG 3.19Å; A29-S119 WeakPolarHBondContact O-CB 3.39Å; A29-S119 PolarHBondContact O-OG 2.82Å; G57-S119 PolarHBondContact O-N 3.47Å; N58-S119 PolarHBondContact ND2-O 2.92Å; S119-A257 WeakPolarHBondContact OG-CB 3.41Å
120E98.8Very high98.5Very high0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-142.7137.8173.7-151.766.8-102.900110.2N58 V59 M60 M122 D255 G256 P353 L354 G355N58-E120 PolarHBondContact ND2-OE1 3.14Å; V59-E120 WeakPolarHBondContact CB-OE2 3.18Å; V59-E120 WeakPolarHBondContact CG2-OE2 3.39Å; V59-E120 PolarHBondContact N-OE2 2.86Å; M60-E120 WeakPolarHBondContact CA-OE1 3.31Å; M60-E120 WeakPolarHBondContact CB-OE1 3.46Å; M60-E120 PolarHBondContact N-OE1 2.87Å; M60-E120 VanDerWaalsContact O-OE1 3.13Å; E120-M122 HydrophobicContact CB-CG 4.48Å; E120-M122 HydrophobicContact CG-CG 3.65Å; E120-D255 WeakPolarHBondContact O-CA 3.49Å; E120-G256 PolarHBondContact N-O 3.35Å; E120-G256 PolarHBondContact O-N 3.37Å; E120-P353 HydrophobicContact CB-CB 3.79Å; E120-L354 HydrophobicContact CG-CB 4.24Å; E120-G355 PolarHBondContact OE2-N 2.95Å
121S98.8Very high98.3Very high0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans-123.591.6165.5-176.90000106.8H27 S62 S123 Q124 D255H27-S121 PolarHBondContact O-OG 3.14Å; H27-S121 VanDerWaalsContact O-OG 3.12Å; S62-S121 WeakPolarHBondContact CB-O 3.45Å; S62-S121 PolarHBondContact OG-O 2.94Å; S121-S123 VanDerWaalsContact C-N 3.33Å; S121-Q124 PolarHBondContact O-N 2.86Å; S121-Q124 WeakPolarHBondContact OG-CG 3.28Å; S121-D255 WeakPolarHBondContact CA-OD1 3.45Å
122M98.8Very high98.3Very high4 Ų437.1 Ų37.12%0.0219%0.188CC..SBendtrans-76-27.3-178.9-58.918080.200110.7M60 E120 Q124 A125 L148 V253 S254 D255 L354M60-M122 HydrophobicContact CE-CE 4.32Å; E120-M122 HydrophobicContact CB-CG 4.48Å; E120-M122 HydrophobicContact CG-CG 3.65Å; M122-Q124 PolarHBondContact O-N 3.2Å; M122-A125 VanDerWaalsContact O-CB 3.31Å; M122-A125 WeakPolarHBondContact O-CB 3.45Å; M122-A125 PolarHBondContact O-N 3.33Å; M122-L148 HydrophobicContact CB-CD1 4.37Å; M122-L148 HydrophobicContact CE-CD1 3.41Å; M122-L148 VanDerWaalsContact CE-CD1 3.41Å; M122-V253 HydrophobicContact CB-CG1 3.47Å; M122-V253 VanDerWaalsContact CB-CG1 3.47Å; M122-V253 HydrophobicContact CE-CB 4.49Å; M122-V253 HydrophobicContact CE-CG1 3.95Å; M122-V253 HydrophobicContact CE-CG2 4.28Å; M122-V253 HydrophobicContact CG-CG1 4.25Å; M122-V253 HydrophobicContact SD-CG1 3.9Å; M122-S254 WeakPolarHBondContact CG-O 3.2Å; M122-S254 VanDerWaalsContact SD-O 3.4Å; M122-D255 PolarHBondContact N-OD1 2.65Å; M122-L354 HydrophobicContact CE-CD1 3.97Å; M122-L354 HydrophobicContact CE-CD2 4.26Å; M122-L354 HydrophobicContact CE-CG 3.82Å; M122-L354 HydrophobicContact SD-CG 4.13Å
123S98.8Very high98.2Very high26 Ų2644.8 Ų44.818%0.18221%0.214CC..THydrogen-bonded Turntrans-61.3-27172.4-64.60000113.7G21 S121 D255G21-S123 PolarHBondContact N-OG 3.07Å; S121-S123 VanDerWaalsContact C-N 3.33Å; S123-D255 WeakPolarHBondContact CB-OD2 3.22Å; S123-D255 PolarHBondContact N-OD1 3.31Å; S123-D255 VanDerWaalsContact OG-CG 3.28Å; S123-D255 PolarHBondContact OG-OD1 2.83Å; S123-D255 PolarHBondContact OG-OD2 2.96Å
124Q98.7Very high98.1Very high54 Ų5454 Ų5425%0.25226%0.255SS..THydrogen-bonded Turntrans-93.10.3178.6-68-168.61.900113.6K25 H27 S62 S121 M122 P126K25-Q124 WeakPolarHBondContact O-CG 3.48Å; K25-Q124 PolarHBondContact O-NE2 2.84Å; H27-Q124 VanDerWaalsContact C-NE2 3.29Å; H27-Q124 PolarHBondContact O-NE2 2.85Å; S62-Q124 WeakPolarHBondContact O-CB 3.34Å; S121-Q124 PolarHBondContact O-N 2.86Å; S121-Q124 WeakPolarHBondContact OG-CG 3.28Å; M122-Q124 PolarHBondContact O-N 3.2Å; Q124-P126 WeakPolarHBondContact O-CD 3.25Å; Q124-P126 VanDerWaalsContact O-N 3.11Å
125A98.4Very high97.9Very high17 Ų1756.7 Ų56.714%0.1428%0.282CS..PPolyproline II helixtrans-54.7121.3-18000000110.4M60 M122 L148M60-A125 HydrophobicContact SD-CB 4.2Å; M122-A125 VanDerWaalsContact O-CB 3.31Å; M122-A125 WeakPolarHBondContact O-CB 3.45Å; M122-A125 PolarHBondContact O-N 3.33Å; A125-L148 HydrophobicContact CB-CB 3.6Å
126P98.1Very high97.8Very high58 Ų5860.5 Ų60.538%0.37731%0.305SS..PPolyproline II helixtrans-76.4164-170.330.7-36.9000111.1Q124 T147Q124-P126 WeakPolarHBondContact O-CD 3.25Å; Q124-P126 VanDerWaalsContact O-N 3.11Å; P126-T147 WeakPolarHBondContact CD-OG1 3.1Å; P126-T147 HydrophobicContact CG-CG2 4.46Å; P126-T147 WeakPolarHBondContact O-CB 3.09Å; P126-T147 VanDerWaalsContact O-CG2 3.24Å; P126-T147 WeakPolarHBondContact O-CG2 3.43Å; P126-T147 PolarHBondContact O-N 3.27Å; P126-T147 PolarHBondContact O-OG1 3Å
127Y98.4Very high97.6Very high140 Ų14068.7 Ų68.755%0.54934%0.341SS..EExtended strand (participates in β ladder)trans-81.9143.2154.4-73.5-94.2000110.1L144 E145 D146Y127-L144 HydrophobicContact CD1-CB 4.47Å; Y127-L144 HydrophobicContact CD1-CD2 4.22Å; Y127-L144 HydrophobicContact CD1-CG 3.71Å; Y127-L144 HydrophobicContact CG-CD1 4.36Å; Y127-L144 HydrophobicContact CG-CD2 4.24Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; Y127-E145 CarbonylContact C-O 3.45Å; Y127-E145 WeakPolarHBondContact CA-O 3.47Å; Y127-D146 HydrophobicContact CD1-CB 4.12Å; Y127-D146 HydrophobicContact CE1-CB 3.71Å
128A97.8Very high97.4Very high25 Ų2579.1 Ų79.121%0.20739%0.387CS..EExtended strand (participates in β ladder)trans-116.9140.6177.200000111.6E145 T147A128-E145 PolarHBondContact N-O 2.92Å; A128-E145 WeakPolarHBondContact O-CB 3.22Å; A128-E145 PolarHBondContact O-N 2.95Å; A128-T147 HydrophobicContact CB-CG2 3.66Å
129V97.6Very high97.2Very high61 Ų6182.5 Ų82.537%0.3742%0.422SS..EExtended strand (participates in β ladder)trans-111.7115.6167.6-173.80000108.3I132 L142 L144V129-I132 HydrophobicContact CB-CD1 4.13Å; V129-I132 HydrophobicContact CG1-CD1 3.88Å; V129-I132 HydrophobicContact CG1-CG1 4.3Å; V129-I132 HydrophobicContact CG1-CG2 3.82Å; V129-L142 HydrophobicContact CG1-CD2 4.25Å; V129-L144 HydrophobicContact CG2-CD1 3.6Å
130R96.4Very high96.9Very high137 Ų13787.5 Ų87.552%0.51744%0.444SS..  trans-94.6159.1-176.4-58.1-177.8-175.6-77.3-3110.9I132 E145R130-I132 PolarHBondContact O-N 3.44Å; R130-E145 IonicContact CZ-OE1 3.58Å; R130-E145 IonicContact NE-OE1 2.84Å; R130-E145 PolarHBondContact NE-OE1 2.9Å; R130-E145 IonicContact NE-OE2 3.55Å; R130-E145 PolarHBondContact NE-OE2 2.66Å; R130-E145 IonicContact NH2-OE1 2.73Å; R130-E145 PolarHBondContact NH2-OE1 3.12Å
131N95.6Very high96.7Very high123 Ų12392.6 Ų92.666%0.65847%0.471SS*.SBendtrans6623.6170.3-48.2-43.7000116.6F140N131-F140 HydrophobicContact CB-CE1 4.38Å; N131-F140 HydrophobicContact CB-CZ 4.41Å
132I96.9Very high96.5Very high80 Ų8096.4 Ų96.441%0.4149%0.491SS..  trans-107.9-11.2179.461.6168.6000115V129 R130 F134 G135 T136 L142V129-I132 HydrophobicContact CB-CD1 4.13Å; V129-I132 HydrophobicContact CG1-CD1 3.88Å; V129-I132 HydrophobicContact CG1-CG1 4.3Å; V129-I132 HydrophobicContact CG1-CG2 3.82Å; R130-I132 PolarHBondContact O-N 3.44Å; I132-F134 PolarHBondContact O-N 3.34Å; I132-F134 VanDerWaalsContact O-N 3.12Å; I132-G135 PolarHBondContact O-N 2.95Å; I132-T136 HydrophobicContact CB-CG2 4.31Å; I132-T136 HydrophobicContact CG2-CG2 3.75Å; I132-L142 HydrophobicContact CG2-CD1 3.87Å; I132-L142 HydrophobicContact CG2-CD2 3.28Å; I132-L142 HydrophobicContact CG2-CG 4.23Å
133R97.5Very high96.4Very high213 Ų213102.2 Ų102.280%0.80452%0.516SS*.THydrogen-bonded Turntrans-58.8-30.7-171.7-174.5176.2-68.8-791113.4
134F97.1Very high96.3Very high196 Ų196106.5 Ų106.586%0.8654%0.537SS*.THydrogen-bonded Turntrans-11926.9-173.9-48.6-63.1000112.3I132I132-F134 PolarHBondContact O-N 3.34Å; I132-F134 VanDerWaalsContact O-N 3.12Å
135G94.6Very high96.2Very high55 Ų55106.9 Ų106.957%0.56754%0.538SS*.  trans88.1165.7-175.400000113.5I132I132-G135 PolarHBondContact O-N 2.95Å
136T96.4Very high96.2Very high80 Ų80108.1 Ų108.149%0.49154%0.543SS..  trans-123.6154.2-179.5550000110.7I132 L142I132-T136 HydrophobicContact CB-CG2 4.31Å; I132-T136 HydrophobicContact CG2-CG2 3.75Å; T136-L142 HydrophobicContact CG2-CD1 4.3Å; T136-L142 HydrophobicContact CG2-CD2 4.04Å
137K95.2Very high96.2Very high173 Ų173106.9 Ų106.975%0.75253%0.534SS*.  trans-81148.6171.5-62.8-177.8-179.3-179.40110.1G139 F140K137-G139 PolarHBondContact O-N 3.13Å; K137-F140 VanDerWaalsContact O-CB 3.29Å; K137-F140 WeakPolarHBondContact O-CB 3.43Å; K137-F140 PolarHBondContact O-N 3.02Å; K137-F140 VanDerWaalsContact O-N 3.11Å
138F94.8Very high96.1Very high218 Ų218100.8 Ų100.896%0.95651%0.511SS*.THydrogen-bonded Turntrans-54.8130.6171.1176.6-100000110
139G93.4Very high96Very high73 Ų73107 Ų10775%0.75353%0.529SS*.THydrogen-bonded Turntrans79.96-177.900000115.9K137 D141K137-G139 PolarHBondContact O-N 3.13Å; G139-D141 PolarHBondContact O-N 2.86Å
140F93.6Very high95.9Very high104 Ų104105.6 Ų105.646%0.45652%0.523SS..  trans-70.6125.1175.7-165-93.6000111.3N131 K137 L142N131-F140 HydrophobicContact CB-CE1 4.38Å; N131-F140 HydrophobicContact CB-CZ 4.41Å; K137-F140 VanDerWaalsContact O-CB 3.29Å; K137-F140 WeakPolarHBondContact O-CB 3.43Å; K137-F140 PolarHBondContact O-N 3.02Å; K137-F140 VanDerWaalsContact O-N 3.11Å; F140-L142 HydrophobicContact CD1-CD2 3.72Å; F140-L142 HydrophobicContact CD1-CG 4.3Å; F140-L142 HydrophobicContact CE1-CD2 4.01Å; F140-L142 PolarHBondContact O-N 2.95Å; F140-L142 VanDerWaalsContact O-N 3.12Å
141D94.4Very high95.8Very high107 Ų107101.1 Ų101.157%0.57252%0.52SS*.  trans-81.789.2-176.9-175.510.5000110.9G139 K143G139-D141 PolarHBondContact O-N 2.86Å; D141-K143 VanDerWaalsContact CG-CE 3.41Å; D141-K143 PolarHBondContact O-N 2.82Å; D141-K143 WeakPolarHBondContact OD1-CE 3.49Å; D141-K143 IonicContact OD1-NZ 3.64Å; D141-K143 PolarHBondContact OD1-NZ 3.48Å; D141-K143 WeakPolarHBondContact OD2-CE 3.4Å; D141-K143 IonicContact OD2-NZ 3.93Å; D141-K143 PolarHBondContact OD2-NZ 3.27Å
142L94.9Very high95.8Very high80 Ų8097.5 Ų97.542%0.41950%0.501SS..  trans-67.9125.5176.9-68177.8000110.8V129 I132 T136 F140V129-L142 HydrophobicContact CG1-CD2 4.25Å; I132-L142 HydrophobicContact CG2-CD1 3.87Å; I132-L142 HydrophobicContact CG2-CD2 3.28Å; I132-L142 HydrophobicContact CG2-CG 4.23Å; T136-L142 HydrophobicContact CG2-CD1 4.3Å; T136-L142 HydrophobicContact CG2-CD2 4.04Å; F140-L142 HydrophobicContact CD1-CD2 3.72Å; F140-L142 HydrophobicContact CD1-CG 4.3Å; F140-L142 HydrophobicContact CE1-CD2 4.01Å; F140-L142 PolarHBondContact O-N 2.95Å; F140-L142 VanDerWaalsContact O-N 3.12Å
143K95.6Very high95.8Very high126 Ų12695.1 Ų95.155%0.54849%0.49SS..  trans-103.5133.8175.6-60.1-53.6-174.6-164.30110.7D141 E145D141-K143 VanDerWaalsContact CG-CE 3.41Å; D141-K143 PolarHBondContact O-N 2.82Å; D141-K143 WeakPolarHBondContact OD1-CE 3.49Å; D141-K143 IonicContact OD1-NZ 3.64Å; D141-K143 PolarHBondContact OD1-NZ 3.48Å; D141-K143 WeakPolarHBondContact OD2-CE 3.4Å; D141-K143 IonicContact OD2-NZ 3.93Å; D141-K143 PolarHBondContact OD2-NZ 3.27Å; K143-E145 PolarHBondContact O-N 2.76Å
144L96.9Very high95.9Very high117 Ų11786.1 Ų86.161%0.61346%0.458SS*.EExtended strand (participates in β ladder)trans-85.392.7163.2-167.263.8000106.6Y127 V129Y127-L144 HydrophobicContact CD1-CB 4.47Å; Y127-L144 HydrophobicContact CD1-CD2 4.22Å; Y127-L144 HydrophobicContact CD1-CG 3.71Å; Y127-L144 HydrophobicContact CG-CD1 4.36Å; Y127-L144 HydrophobicContact CG-CD2 4.24Å; Y127-L144 HydrophobicContact CG-CG 3.86Å; V129-L144 HydrophobicContact CG2-CD1 3.6Å
145E97.3Very high95.8Very high61 Ų6183.1 Ų83.129%0.28545%0.45SS..EExtended strand (participates in β ladder)trans-82.6123.1-173-175.9-173.692.700110.6Y127 A128 R130 K143 T147 A150Y127-E145 CarbonylContact C-O 3.45Å; Y127-E145 WeakPolarHBondContact CA-O 3.47Å; A128-E145 PolarHBondContact N-O 2.92Å; A128-E145 WeakPolarHBondContact O-CB 3.22Å; A128-E145 PolarHBondContact O-N 2.95Å; R130-E145 IonicContact CZ-OE1 3.58Å; R130-E145 IonicContact NE-OE1 2.84Å; R130-E145 PolarHBondContact NE-OE1 2.9Å; R130-E145 IonicContact NE-OE2 3.55Å; R130-E145 PolarHBondContact NE-OE2 2.66Å; R130-E145 IonicContact NH2-OE1 2.73Å; R130-E145 PolarHBondContact NH2-OE1 3.12Å; K143-E145 PolarHBondContact O-N 2.76Å; E145-T147 PolarHBondContact O-N 3.35Å; E145-A150 HydrophobicContact CG-CB 4.33Å
146D97.8Very high95.9Very high44 Ų4488.2 Ų88.224%0.23546%0.459CS..EExtended strand (participates in β ladder)trans-70110.7169.3-175.6-37.2000109.3Y127 L148 W149 A150Y127-D146 HydrophobicContact CD1-CB 4.12Å; Y127-D146 HydrophobicContact CE1-CB 3.71Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 3.16Å; D146-L148 WeakPolarHBondContact OD1-CA 3.23Å; D146-L148 VanDerWaalsContact OD1-CB 3.31Å; D146-L148 WeakPolarHBondContact OD1-CB 3.42Å; D146-L148 PolarHBondContact OD1-N 3.03Å; D146-W149 HydrophobicContact CB-CB 4.06Å; D146-W149 PolarHBondContact O-N 2.92Å; D146-W149 PolarHBondContact OD1-N 3.35Å; D146-A150 WeakPolarHBondContact O-CB 3.44Å; D146-A150 PolarHBondContact O-N 3.31Å
147T97.8Very high96Very high32 Ų3286.7 Ų86.720%0.19645%0.447CS..Hα-helixtrans-72.8-25.2-176.362.90000113.2P126 A128 E145 G151P126-T147 WeakPolarHBondContact CD-OG1 3.1Å; P126-T147 HydrophobicContact CG-CG2 4.46Å; P126-T147 WeakPolarHBondContact O-CB 3.09Å; P126-T147 VanDerWaalsContact O-CG2 3.24Å; P126-T147 WeakPolarHBondContact O-CG2 3.43Å; P126-T147 PolarHBondContact O-N 3.27Å; P126-T147 PolarHBondContact O-OG1 3Å; A128-T147 HydrophobicContact CB-CG2 3.66Å; E145-T147 PolarHBondContact O-N 3.35Å; T147-G151 PolarHBondContact O-N 3.27Å
148L97.1Very high96.1Very high11 Ų1186.9 Ų86.96%0.05845%0.448CS..Hα-helixtrans-67.6-50.9173.8163.363.1000109.6Y20 M60 M122 A125 D146 A150 G151 L152 V253Y20-L148 HydrophobicContact CD2-CD2 4.35Å; Y20-L148 HydrophobicContact CE2-CD2 3.79Å; M60-L148 HydrophobicContact CE-CB 4.49Å; M60-L148 HydrophobicContact CE-CD1 3.5Å; M60-L148 VanDerWaalsContact CE-CD1 3.5Å; M60-L148 HydrophobicContact SD-CB 4.16Å; M60-L148 HydrophobicContact SD-CD1 3.71Å; M122-L148 HydrophobicContact CB-CD1 4.37Å; M122-L148 HydrophobicContact CE-CD1 3.41Å; M122-L148 VanDerWaalsContact CE-CD1 3.41Å; A125-L148 HydrophobicContact CB-CB 3.6Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 3.16Å; D146-L148 WeakPolarHBondContact OD1-CA 3.23Å; D146-L148 VanDerWaalsContact OD1-CB 3.31Å; D146-L148 WeakPolarHBondContact OD1-CB 3.42Å; D146-L148 PolarHBondContact OD1-N 3.03Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.41Å; L148-G151 PolarHBondContact O-N 2.66Å; L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.28Å; L148-L152 HydrophobicContact CG-CD1 4.47Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.49Å; L148-V253 HydrophobicContact CD1-CG1 4.4Å; L148-V253 HydrophobicContact CD2-CG1 3.9Å
149W94.9Very high96.2Very high157 Ų15777.7 Ų77.760%0.59541%0.41SS*.Hα-helixtrans-62.7-43179.4-168.8-99.8000112.2D146 G151 L152D146-W149 HydrophobicContact CB-CB 4.06Å; D146-W149 PolarHBondContact O-N 2.92Å; D146-W149 PolarHBondContact OD1-N 3.35Å; W149-G151 VanDerWaalsContact C-N 3.33Å; W149-G151 PolarHBondContact O-N 2.73Å; W149-L152 PolarHBondContact O-N 3.33Å
150A94.8Very high96.4Very high30 Ų3076 Ų7625%0.24839%0.385CS..Hα-helixtrans-61.5-41.1175.300000111.9E145 D146 L148 L152 T153E145-A150 HydrophobicContact CG-CB 4.33Å; D146-A150 WeakPolarHBondContact O-CB 3.44Å; D146-A150 PolarHBondContact O-N 3.31Å; L148-A150 VanDerWaalsContact C-N 3.35Å; L148-A150 PolarHBondContact O-N 3.41Å; A150-L152 PolarHBondContact O-N 2.76Å; A150-T153 PolarHBondContact O-N 2.92Å; A150-T153 VanDerWaalsContact O-N 3.16Å
151G94.3Very high96.6Very high44 Ų4472.2 Ų72.245%0.45437%0.37SS..Hα-helixtrans-67.3-17.9178.200000114.8T147 L148 W149T147-G151 PolarHBondContact O-N 3.27Å; L148-G151 PolarHBondContact O-N 2.66Å; W149-G151 VanDerWaalsContact C-N 3.33Å; W149-G151 PolarHBondContact O-N 2.73Å
152L96.8Very high96.8Very high46 Ų4667.2 Ų67.224%0.24134%0.343CS..THydrogen-bonded Turntrans-95.79.6175.8-62.4176.8000113.2M60 L148 W149 A150 M161 L354M60-L152 HydrophobicContact CE-CD2 4.5Å; M60-L152 HydrophobicContact CE-CG 4.46Å; L148-L152 HydrophobicContact CD1-CD1 3.86Å; L148-L152 HydrophobicContact CD1-CG 4.28Å; L148-L152 HydrophobicContact CG-CD1 4.47Å; L148-L152 WeakPolarHBondContact O-CG 3.46Å; L148-L152 PolarHBondContact O-N 3.49Å; W149-L152 PolarHBondContact O-N 3.33Å; A150-L152 PolarHBondContact O-N 2.76Å; L152-M161 WeakPolarHBondContact O-CG 3.45Å; L152-M161 PolarHBondContact O-N 3.13Å; L152-L354 HydrophobicContact CD2-CD1 4.41Å
153T97.5Very high96.9Very high30 Ų3065.3 Ų65.318%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-119.7123.1172.6-59.30000109.7A150 L155A150-T153 PolarHBondContact O-N 2.92Å; A150-T153 VanDerWaalsContact O-N 3.16Å; T153-L155 HydrophobicContact CG2-CD2 4.23Å; T153-L155 PolarHBondContact O-N 3.26Å
154D97.7Very high97.1Very high25 Ų2559.3 Ų59.313%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-75109.6171.4-177.7-17.2000108.7H156 I157 K158 T159 M161 G385D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 PolarHBondContact O-N 3.23Å; D154-H156 WeakPolarHBondContact OD1-CA 3.22Å; D154-H156 VanDerWaalsContact OD1-CB 3.22Å; D154-H156 WeakPolarHBondContact OD1-CB 2.99Å; D154-H156 PolarHBondContact OD1-N 3.44Å; D154-I157 HydrophobicContact CB-CD1 4.39Å; D154-I157 HydrophobicContact CB-CG1 3.81Å; D154-K158 CarbonylContact O-C 3.49Å; D154-K158 WeakPolarHBondContact O-CA 3.45Å; D154-K158 PolarHBondContact O-N 2.84Å; D154-T159 PolarHBondContact N-O 3.4Å; D154-T159 PolarHBondContact O-N 2.91Å; D154-M161 HydrophobicContact CB-CE 3.62Å; D154-G385 WeakPolarHBondContact OD2-CA 3.49Å
155L95.4Very high97.2Very high132 Ų13253.7 Ų53.769%0.69128%0.277SS*.THydrogen-bonded Turntrans-75.2-16.4-178.8-62.3179.7000113.6T153T153-L155 HydrophobicContact CG2-CD2 4.23Å; T153-L155 PolarHBondContact O-N 3.26Å
156H97.4Very high97.2Very high163 Ų16350.9 Ų50.976%0.75526%0.264SS*.THydrogen-bonded Turntrans-68.7-48.3175.3-177.168.9000110.6D154D154-H156 VanDerWaalsContact C-N 3.31Å; D154-H156 PolarHBondContact O-N 3.23Å; D154-H156 WeakPolarHBondContact OD1-CA 3.22Å; D154-H156 VanDerWaalsContact OD1-CB 3.22Å; D154-H156 WeakPolarHBondContact OD1-CB 2.99Å; D154-H156 PolarHBondContact OD1-N 3.44Å
157I97.6Very high97.3Very high48 Ų4851 Ų5125%0.24627%0.265CS..THydrogen-bonded Turntrans-98.42.517662.1162.6000113.5D154 T159 P289D154-I157 HydrophobicContact CB-CD1 4.39Å; D154-I157 HydrophobicContact CB-CG1 3.81Å; I157-T159 VanDerWaalsContact C-N 3.27Å; I157-T159 HydrophobicContact CD1-CG2 4.24Å; I157-T159 PolarHBondContact O-N 2.86Å; I157-T159 PolarHBondContact O-OG1 2.87Å; I157-P289 HydrophobicContact CD1-CB 3.99Å; I157-P289 HydrophobicContact CG1-CB 4.44Å; I157-P289 HydrophobicContact CG2-CB 4.07Å
158K97.3Very high97.3Very high176 Ų17649.5 Ų49.577%0.76526%0.255SS*.THydrogen-bonded Turntrans52.541-179.7-56.7174.9-176.9175.80113.4D154D154-K158 CarbonylContact O-C 3.49Å; D154-K158 WeakPolarHBondContact O-CA 3.45Å; D154-K158 PolarHBondContact O-N 2.84Å
159T97.2Very high97.4Very high25 Ų2549.1 Ų49.115%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-127.9122.8-168.9-61.40000111D154 I157 I163 T164D154-T159 PolarHBondContact N-O 3.4Å; D154-T159 PolarHBondContact O-N 2.91Å; I157-T159 VanDerWaalsContact C-N 3.27Å; I157-T159 HydrophobicContact CD1-CG2 4.24Å; I157-T159 PolarHBondContact O-N 2.86Å; I157-T159 PolarHBondContact O-OG1 2.87Å; T159-I163 HydrophobicContact CG2-CB 3.58Å; T159-I163 HydrophobicContact CG2-CG2 3.52Å; T159-T164 HydrophobicContact CG2-CG2 3.86Å
160P97.7Very high97.6Very high38 Ų3847 Ų4725%0.24725%0.251CS..EExtended strand (participates in β ladder)trans-60.8146.7170.1-23.534.2000111.7G162 I163 T164 F239P160-G162 PolarHBondContact O-N 3.35Å; P160-G162 VanDerWaalsContact O-N 3.13Å; P160-I163 HydrophobicContact CB-CG1 4.41Å; P160-I163 HydrophobicContact CG-CG1 4.34Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 3.21Å; P160-T164 PolarHBondContact O-N 2.97Å; P160-F239 HydrophobicContact CB-CD1 4.15Å; P160-F239 HydrophobicContact CB-CE1 4.24Å
161M98.1Very high97.8Very high25 Ų2551.8 Ų51.812%0.12327%0.266CS..Hα-helixtrans-55.7-36-179.3-66.3-58.794.800112.9L152 D154 I163 T164 A165 M292 F323L152-M161 WeakPolarHBondContact O-CG 3.45Å; L152-M161 PolarHBondContact O-N 3.13Å; D154-M161 HydrophobicContact CB-CE 3.62Å; M161-I163 VanDerWaalsContact C-N 3.3Å; M161-I163 PolarHBondContact O-N 3.42Å; M161-T164 HydrophobicContact CE-CG2 4.34Å; M161-T164 PolarHBondContact O-N 3.4Å; M161-T164 VanDerWaalsContact O-N 3.12Å; M161-T164 PolarHBondContact O-OG1 3.18Å; M161-A165 PolarHBondContact O-N 3.01Å; M161-M292 HydrophobicContact CB-CE 4.25Å; M161-M292 HydrophobicContact CG-CE 4.45Å; M161-M292 HydrophobicContact SD-CE 3.78Å; M161-M292 HydrophobicContact SD-CG 4.18Å; M161-M292 HydrophobicContact SD-SD 4.33Å; M161-F323 HydrophobicContact CB-CE2 4.02Å; M161-F323 HydrophobicContact CB-CZ 4.2Å
162G97.7Very high98Very high1 Ų152.1 Ų52.11%0.0125%0.254CS..Hα-helixtrans-61.5-33.1176.100000114.3P160 A165 E166P160-G162 PolarHBondContact O-N 3.35Å; P160-G162 VanDerWaalsContact O-N 3.13Å; G162-A165 WeakPolarHBondContact O-CB 3.44Å; G162-A165 PolarHBondContact O-N 3.03Å; G162-E166 WeakPolarHBondContact O-CG 3.34Å; G162-E166 PolarHBondContact O-N 2.68Å; G162-E166 VanDerWaalsContact O-N 3.11Å
163I98.6Very high98Very high40 Ų4057.6 Ų57.621%0.20528%0.278CS..Hα-helixtrans-70.2-34.8175.2-64.3-67.3000111.2T159 P160 M161 A165 E166 N167 F239 K240T159-I163 HydrophobicContact CG2-CB 3.58Å; T159-I163 HydrophobicContact CG2-CG2 3.52Å; P160-I163 HydrophobicContact CB-CG1 4.41Å; P160-I163 HydrophobicContact CG-CG1 4.34Å; P160-I163 WeakPolarHBondContact O-CB 3.39Å; P160-I163 PolarHBondContact O-N 3.21Å; M161-I163 VanDerWaalsContact C-N 3.3Å; M161-I163 PolarHBondContact O-N 3.42Å; I163-A165 PolarHBondContact O-N 2.93Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 3.29Å; I163-E166 VanDerWaalsContact O-N 3.13Å; I163-N167 VanDerWaalsContact O-CG 3.27Å; I163-N167 PolarHBondContact O-N 3.48Å; I163-N167 PolarHBondContact O-OD1 3.14Å; I163-F239 HydrophobicContact CD1-CB 3.67Å; I163-F239 WeakPolarHBondContact CD1-O 3.37Å; I163-F239 HydrophobicContact CG1-CB 4.11Å; I163-K240 HydrophobicContact CD1-CB 4.2Å
164T98.7Very high98.1Very high0 Ų056.9 Ų56.90%027%0.273CS..Hα-helixtrans-63.1-30174.875.40000112.1T159 P160 M161 L168 S290 M292T159-T164 HydrophobicContact CG2-CG2 3.86Å; P160-T164 PolarHBondContact O-N 2.97Å; M161-T164 HydrophobicContact CE-CG2 4.34Å; M161-T164 PolarHBondContact O-N 3.4Å; M161-T164 VanDerWaalsContact O-N 3.12Å; M161-T164 PolarHBondContact O-OG1 3.18Å; T164-L168 PolarHBondContact O-N 3.36Å; T164-S290 WeakPolarHBondContact CA-O 3.47Å; T164-S290 WeakPolarHBondContact CB-O 3.41Å; T164-M292 HydrophobicContact CG2-CG 4.3Å; T164-M292 WeakPolarHBondContact OG1-CE 3.42Å
165A98.8Very high98.1Very high0 Ų058.9 Ų58.90%029%0.286CS..Hα-helixtrans-74.9-36.717400000112.1M161 G162 I163 L168 A169 V245 F323 P325 Q326M161-A165 PolarHBondContact O-N 3.01Å; G162-A165 WeakPolarHBondContact O-CB 3.44Å; G162-A165 PolarHBondContact O-N 3.03Å; I163-A165 PolarHBondContact O-N 2.93Å; A165-L168 WeakPolarHBondContact O-CB 3.32Å; A165-L168 PolarHBondContact O-N 3.2Å; A165-A169 PolarHBondContact O-N 3.5Å; A165-V245 HydrophobicContact CB-CG2 4.13Å; A165-F323 HydrophobicContact CB-CB 3.65Å; A165-F323 HydrophobicContact CB-CD1 4.29Å; A165-F323 HydrophobicContact CB-CD2 3.76Å; A165-F323 HydrophobicContact CB-CG 3.63Å; A165-P325 HydrophobicContact CB-CG 4.13Å; A165-Q326 HydrophobicContact CB-CB 4.45Å
166E98.8Very high98.3Very high2 Ų255.1 Ų55.11%0.00926%0.263CS..Hα-helixtrans-62.4-41.5170.7-63.9-70.3-16900112G162 I163 L168 A169 E170 K240 G243 T244 V245G162-E166 WeakPolarHBondContact O-CG 3.34Å; G162-E166 PolarHBondContact O-N 2.68Å; G162-E166 VanDerWaalsContact O-N 3.11Å; I163-E166 WeakPolarHBondContact O-CB 3.49Å; I163-E166 PolarHBondContact O-N 3.29Å; I163-E166 VanDerWaalsContact O-N 3.13Å; E166-L168 PolarHBondContact O-N 3.38Å; E166-A169 WeakPolarHBondContact O-CB 3.47Å; E166-A169 PolarHBondContact O-N 2.91Å; E166-A169 VanDerWaalsContact O-N 3.1Å; E166-E170 PolarHBondContact O-N 3.1Å; E166-K240 HydrophobicContact CB-CD 4.45Å; E166-K240 HydrophobicContact CG-CB 4.13Å; E166-G243 WeakPolarHBondContact OE1-CA 3.44Å; E166-T244 VanDerWaalsContact CD-N 3.25Å; E166-T244 PolarHBondContact OE1-N 3.2Å; E166-T244 PolarHBondContact OE2-N 2.86Å; E166-T244 PolarHBondContact OE2-OG1 3.37Å; E166-V245 HydrophobicContact CG-CG2 4.05Å; E166-V245 WeakPolarHBondContact OE1-CB 3.45Å; E166-V245 PolarHBondContact OE1-N 3.49Å
167N98.8Very high98.4Very high46 Ų4654.1 Ų54.125%0.24626%0.259CS..Hα-helixtrans-59.5-37.8175.9-65.9-16.5000111.7I163 K171 S290 I291I163-N167 VanDerWaalsContact O-CG 3.27Å; I163-N167 PolarHBondContact O-N 3.48Å; I163-N167 PolarHBondContact O-OD1 3.14Å; N167-K171 VanDerWaalsContact O-CB 3.29Å; N167-K171 WeakPolarHBondContact O-CB 3.39Å; N167-K171 PolarHBondContact O-N 2.99Å; N167-S290 PolarHBondContact ND2-O 2.82Å; N167-I291 HydrophobicContact CB-CG2 3.91Å
168L98.8Very high98.4Very high0 Ų055.1 Ų55.10%026%0.264CS..Hα-helixtrans-69.2-42.1173.7-80174.7000112.2T164 A165 E166 E170 K171 Y172 I291 I294 Q326T164-L168 PolarHBondContact O-N 3.36Å; A165-L168 WeakPolarHBondContact O-CB 3.32Å; A165-L168 PolarHBondContact O-N 3.2Å; E166-L168 PolarHBondContact O-N 3.38Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 2.84Å; L168-K171 PolarHBondContact O-N 3.05Å; L168-Y172 HydrophobicContact CD2-CD2 3.87Å; L168-Y172 HydrophobicContact CD2-CE2 3.61Å; L168-Y172 WeakPolarHBondContact O-CB 3.11Å; L168-Y172 WeakPolarHBondContact O-CD2 3.49Å; L168-Y172 PolarHBondContact O-N 3.47Å; L168-I291 HydrophobicContact CD2-CB 3.91Å; L168-I291 HydrophobicContact CD2-CG2 4.13Å; L168-I291 HydrophobicContact CG-CB 4.06Å; L168-I291 HydrophobicContact CG-CG2 4.18Å; L168-I294 HydrophobicContact CD2-CB 4.1Å; L168-I294 HydrophobicContact CD2-CD1 4.27Å; L168-Q326 HydrophobicContact CD1-CB 4.29Å; L168-Q326 HydrophobicContact CD1-CG 4.28Å
169A98.8Very high98.5Very high3 Ų346.7 Ų46.73%0.02523%0.228CC..Hα-helixtrans-56-46.6175.500000111.3A165 E166 Q173 I174 T244 P325A165-A169 PolarHBondContact O-N 3.5Å; E166-A169 WeakPolarHBondContact O-CB 3.47Å; E166-A169 PolarHBondContact O-N 2.91Å; E166-A169 VanDerWaalsContact O-N 3.1Å; A169-Q173 CarbonylContact O-C 3.57Å; A169-Q173 WeakPolarHBondContact O-CA 3.44Å; A169-Q173 PolarHBondContact O-N 3.01Å; A169-I174 HydrophobicContact CB-CB 4.39Å; A169-I174 PolarHBondContact O-N 3.1Å; A169-T244 HydrophobicContact CB-CG2 3.95Å; A169-T244 WeakPolarHBondContact CB-OG1 3.48Å; A169-P325 HydrophobicContact CB-CB 3.69Å; A169-P325 HydrophobicContact CB-CG 4.49Å
170E98.6Very high98.5Very high114 Ų11445.9 Ų45.953%0.53322%0.223SC..Hα-helixtrans-63.5-49.2176.5-70.1-179.6171.700112E166 L168 Y172 Q173 K240E166-E170 PolarHBondContact O-N 3.1Å; L168-E170 VanDerWaalsContact C-N 3.29Å; L168-E170 PolarHBondContact O-N 2.84Å; E170-Y172 VanDerWaalsContact C-N 3.34Å; E170-Y172 PolarHBondContact O-N 2.99Å; E170-Q173 PolarHBondContact O-N 3.14Å; E170-K240 IonicContact OE1-NZ 3.54Å; E170-K240 PolarHBondContact OE1-NZ 3.04Å; E170-K240 IonicContact OE2-NZ 2.75Å
171K98.6Very high98.6Very high130 Ų13047.2 Ų47.257%0.56523%0.227SC*.Hα-helixtrans-62.3-39.3-177.7-178.2173.1-178.7173.20112.9N167 L168N167-K171 VanDerWaalsContact O-CB 3.29Å; N167-K171 WeakPolarHBondContact O-CB 3.39Å; N167-K171 PolarHBondContact O-N 2.99Å; L168-K171 PolarHBondContact O-N 3.05Å
172Y98.6Very high98.6Very high50 Ų5046.5 Ų46.520%0.19622%0.223CC..Hα-helixtrans-97.63.8-177.3-74.1-88.9000113.6L168 E170 I174 I294 S329 K332 A333L168-Y172 HydrophobicContact CD2-CD2 3.87Å; L168-Y172 HydrophobicContact CD2-CE2 3.61Å; L168-Y172 WeakPolarHBondContact O-CB 3.11Å; L168-Y172 WeakPolarHBondContact O-CD2 3.49Å; L168-Y172 PolarHBondContact O-N 3.47Å; E170-Y172 VanDerWaalsContact C-N 3.34Å; E170-Y172 PolarHBondContact O-N 2.99Å; Y172-I174 VanDerWaalsContact C-N 3.33Å; Y172-I174 PolarHBondContact O-N 3.23Å; Y172-I294 HydrophobicContact CE2-CD1 3.91Å; Y172-I294 WeakPolarHBondContact OH-CD1 3.43Å; Y172-S329 WeakPolarHBondContact CD2-OG 3.05Å; Y172-K332 HydrophobicContact CD1-CD 4.34Å; Y172-K332 PolarHBondContact O-NZ 2.92Å; Y172-A333 HydrophobicContact CE1-CB 4.19Å
173Q98.4Very high98.7Very high161 Ų16146.4 Ų46.475%0.75222%0.223SC*.THydrogen-bonded Turntrans5547.4-178.8-56.6173.4-3.800112A169 E170A169-Q173 CarbonylContact O-C 3.57Å; A169-Q173 WeakPolarHBondContact O-CA 3.44Å; A169-Q173 PolarHBondContact O-N 3.01Å; E170-Q173 PolarHBondContact O-N 3.14Å
174I98.8Very high98.7Very high15 Ų1548.4 Ų48.48%0.07723%0.229CC..  trans-92.3125.9176.6-61.1161.1000107.6A169 Y172 D178 P325 L328 S329A169-I174 HydrophobicContact CB-CB 4.39Å; A169-I174 PolarHBondContact O-N 3.1Å; Y172-I174 VanDerWaalsContact C-N 3.33Å; Y172-I174 PolarHBondContact O-N 3.23Å; I174-D178 HydrophobicContact CG2-CB 3.92Å; I174-P325 WeakPolarHBondContact CD1-O 3.29Å; I174-P325 HydrophobicContact CG2-CB 4.33Å; I174-L328 HydrophobicContact CD1-CB 3.74Å; I174-L328 HydrophobicContact CG1-CB 4.3Å; I174-L328 HydrophobicContact CG2-CB 4.24Å; I174-L328 HydrophobicContact CG2-CD1 3.67Å; I174-S329 WeakPolarHBondContact CD1-OG 3.23Å
175T98.6Very high98.7Very high68 Ų6851.8 Ų51.842%0.41724%0.244SC..  trans-86.6164.6-177.870.60000111.4E177 D178 C179T175-E177 PolarHBondContact O-N 2.98Å; T175-E177 PolarHBondContact OG1-N 3.24Å; T175-D178 WeakPolarHBondContact CB-OD2 3.2Å; T175-D178 PolarHBondContact N-OD2 3.29Å; T175-D178 PolarHBondContact O-N 3.45Å; T175-D178 PolarHBondContact OG1-N 3.44Å; T175-D178 VanDerWaalsContact OG1-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 2.93Å; T175-C179 PolarHBondContact O-N 2.77Å; T175-C179 PolarHBondContact O-SG 2.94Å
176R98.6Very high98.7Very high53 Ų5351.8 Ų51.820%0.224%0.244CC..Hα-helixtrans-58.3-38.5170.417059.6-169-75.5-11111.9C179 D180 M232 L235 T244 T246R176-C179 WeakPolarHBondContact O-CB 3.28Å; R176-C179 PolarHBondContact O-N 2.98Å; R176-D180 IonicContact CZ-OD1 3.53Å; R176-D180 IonicContact CZ-OD2 3.54Å; R176-D180 VanDerWaalsContact CZ-OD2 3.22Å; R176-D180 IonicContact NE-OD1 3.56Å; R176-D180 PolarHBondContact NE-OD1 3.02Å; R176-D180 IonicContact NE-OD2 2.82Å; R176-D180 PolarHBondContact NE-OD2 3.19Å; R176-D180 IonicContact NH2-OD1 2.86Å; R176-D180 IonicContact NH2-OD2 3.63Å; R176-D180 PolarHBondContact NH2-OD2 3.16Å; R176-D180 PolarHBondContact O-N 3.3Å; R176-M232 PolarHBondContact NH2-O 3.44Å; R176-L235 PolarHBondContact NH1-O 2.83Å; R176-L235 VanDerWaalsContact NH1-O 3.14Å; R176-L235 PolarHBondContact NH2-O 3.07Å; R176-T244 HydrophobicContact CB-CG2 4.43Å; R176-T244 WeakPolarHBondContact CD-O 3.18Å; R176-T246 VanDerWaalsContact NH1-CG2 3.27Å
177E98.6Very high98.7Very high141 Ų14152.1 Ų52.166%0.65925%0.246SC*.Hα-helixtrans-65.4-43.1179-174.9177.6174.200111.5T175 C179 D180 N181T175-E177 PolarHBondContact O-N 2.98Å; T175-E177 PolarHBondContact OG1-N 3.24Å; E177-C179 VanDerWaalsContact C-N 3.27Å; E177-C179 PolarHBondContact O-N 3.08Å; E177-D180 PolarHBondContact O-N 3.01Å; E177-N181 WeakPolarHBondContact O-CB 3.4Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.3Å; E177-N181 PolarHBondContact O-ND2 3.19Å
178D98.7Very high98.7Very high69 Ų6952.3 Ų52.337%0.36925%0.245SC..Hα-helixtrans-57-43.1173.8-59.7-46.6000111.5I174 T175 Y182 L328I174-D178 HydrophobicContact CG2-CB 3.92Å; T175-D178 WeakPolarHBondContact CB-OD2 3.2Å; T175-D178 PolarHBondContact N-OD2 3.29Å; T175-D178 PolarHBondContact O-N 3.45Å; T175-D178 PolarHBondContact OG1-N 3.44Å; T175-D178 VanDerWaalsContact OG1-N 3.11Å; T175-D178 PolarHBondContact OG1-OD2 2.93Å; D178-Y182 WeakPolarHBondContact O-CB 3.35Å; D178-Y182 PolarHBondContact O-N 3.19Å; D178-L328 HydrophobicContact CB-CD1 3.96Å
179C98.8Very high98.7Very high0 Ų053.7 Ų53.70%025%0.25CS..Hα-helixtrans-64.3-45.2-180-62.80000112.2T175 R176 E177 Y182 A183 N249 A324 P325T175-C179 PolarHBondContact O-N 2.77Å; T175-C179 PolarHBondContact O-SG 2.94Å; R176-C179 WeakPolarHBondContact O-CB 3.28Å; R176-C179 PolarHBondContact O-N 2.98Å; E177-C179 VanDerWaalsContact C-N 3.27Å; E177-C179 PolarHBondContact O-N 3.08Å; C179-Y182 PolarHBondContact O-N 3.44Å; C179-A183 WeakPolarHBondContact O-CB 3.22Å; C179-A183 PolarHBondContact O-N 2.87Å; C179-N249 HydrophobicContact CB-CB 4.27Å; C179-A324 HydrophobicContact CB-CB 3.88Å; C179-P325 VanDerWaalsContact SG-CD 3.57Å
180D98.7Very high98.7Very high8 Ų854.3 Ų54.34%0.04325%0.252CS..Hα-helixtrans-70.8-38.3-180-734.5000111.4R176 E177 Y182 A183 Y184 M232 N249R176-D180 IonicContact CZ-OD1 3.53Å; R176-D180 IonicContact CZ-OD2 3.54Å; R176-D180 VanDerWaalsContact CZ-OD2 3.22Å; R176-D180 IonicContact NE-OD1 3.56Å; R176-D180 PolarHBondContact NE-OD1 3.02Å; R176-D180 IonicContact NE-OD2 2.82Å; R176-D180 PolarHBondContact NE-OD2 3.19Å; R176-D180 IonicContact NH2-OD1 2.86Å; R176-D180 IonicContact NH2-OD2 3.63Å; R176-D180 PolarHBondContact NH2-OD2 3.16Å; R176-D180 PolarHBondContact O-N 3.3Å; E177-D180 PolarHBondContact O-N 3.01Å; D180-Y182 VanDerWaalsContact C-N 3.35Å; D180-Y182 PolarHBondContact O-N 3.33Å; D180-A183 PolarHBondContact O-N 3.35Å; D180-Y184 WeakPolarHBondContact O-CB 3.2Å; D180-Y184 PolarHBondContact O-N 3.12Å; D180-M232 HydrophobicContact CB-CB 4.29Å; D180-N249 PolarHBondContact OD1-ND2 2.73Å
181N98.7Very high98.7Very high65 Ų6552.5 Ų52.535%0.34824%0.243SC..Hα-helixtrans-60.6-43.9173.2-77.6-30.6000111.8E177 Y184 Q185 L229E177-N181 WeakPolarHBondContact O-CB 3.4Å; E177-N181 VanDerWaalsContact O-CG 3.3Å; E177-N181 PolarHBondContact O-N 3.3Å; E177-N181 PolarHBondContact O-ND2 3.19Å; N181-Y184 PolarHBondContact O-N 3.11Å; N181-Q185 WeakPolarHBondContact O-CB 3.47Å; N181-Q185 PolarHBondContact O-N 2.87Å; N181-L229 WeakPolarHBondContact OD1-CD1 3.49Å; N181-L229 WeakPolarHBondContact OD1-CD2 3.43Å
182Y98.8Very high98.7Very high10 Ų1049 Ų494%0.03924%0.238CC..Hα-helixtrans-64.1-44.3174.5-176.6-104.3000112.1D178 C179 D180 Y184 Q185 T186 E321 A324 Y327 L328 N342 I348D178-Y182 WeakPolarHBondContact O-CB 3.35Å; D178-Y182 PolarHBondContact O-N 3.19Å; C179-Y182 PolarHBondContact O-N 3.44Å; D180-Y182 VanDerWaalsContact C-N 3.35Å; D180-Y182 PolarHBondContact O-N 3.33Å; Y182-Y184 VanDerWaalsContact C-N 3.3Å; Y182-Y184 PolarHBondContact O-N 2.89Å; Y182-Q185 WeakPolarHBondContact O-CB 3.5Å; Y182-Q185 PolarHBondContact O-N 2.71Å; Y182-Q185 VanDerWaalsContact O-N 3.15Å; Y182-T186 WeakPolarHBondContact O-CG2 3.32Å; Y182-T186 PolarHBondContact O-N 3.48Å; Y182-E321 HydrophobicContact CE1-CG 4.09Å; Y182-E321 VanDerWaalsContact OH-CD 3.29Å; Y182-E321 PolarHBondContact OH-OE1 2.76Å; Y182-A324 HydrophobicContact CD1-CB 3.96Å; Y182-Y327 AromaticContact CD1-CD1 3.9Å; Y182-Y327 HydrophobicContact CD1-CD1 3.9Å; Y182-Y327 HydrophobicContact CD1-CE1 4.46Å; Y182-Y327 AromaticContact CD2-CD1 3.84Å; Y182-Y327 HydrophobicContact CD2-CD1 3.84Å; Y182-Y327 AromaticContact CD2-CE1 3.59Å; Y182-Y327 HydrophobicContact CD2-CE1 3.59Å; Y182-Y327 AromaticContact CE1-CD1 3.43Å; Y182-Y327 HydrophobicContact CE1-CD1 3.43Å; Y182-Y327 VanDerWaalsContact CE1-CD1 3.43Å; Y182-Y327 AromaticContact CE1-CE1 3.96Å; Y182-Y327 HydrophobicContact CE1-CE1 3.96Å; Y182-Y327 AromaticContact CE1-CG 3.77Å; Y182-Y327 HydrophobicContact CE1-CG 3.77Å; Y182-Y327 AromaticContact CE2-CD1 3.38Å; Y182-Y327 HydrophobicContact CE2-CD1 3.38Å; Y182-Y327 AromaticContact CE2-CE1 2.96Å; Y182-Y327 HydrophobicContact CE2-CE1 2.96Å; Y182-Y327 HydrophobicContact CE2-CE2 4.42Å; Y182-Y327 HydrophobicContact CE2-CG 4.28Å; Y182-Y327 AromaticContact CE2-CZ 3.55Å; Y182-Y327 HydrophobicContact CG-CD1 4.08Å; Y182-Y327 HydrophobicContact CG-CE1 4.3Å; Y182-Y327 AromaticContact CZ-CD1 3.14Å; Y182-Y327 AromaticContact CZ-CE1 3.17Å; Y182-Y327 AromaticContact CZ-CG 3.62Å; Y182-Y327 AromaticContact CZ-CZ 3.61Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.05Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.37Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.3Å; Y182-L328 HydrophobicContact CD2-CD2 4.29Å; Y182-L328 HydrophobicContact CG-CD2 4.3Å; Y182-L328 HydrophobicContact CG-CG 4.43Å; Y182-N342 PolarHBondContact OH-ND2 3.27Å; Y182-I348 HydrophobicContact CD1-CD1 3.99Å; Y182-I348 HydrophobicContact CE1-CD1 3.97Å
183A98.8Very high98.7Very high0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-61.9-37.2178.100000112.6C179 D180 T186 Q187 M232 A248 N249 I348C179-A183 WeakPolarHBondContact O-CB 3.22Å; C179-A183 PolarHBondContact O-N 2.87Å; D180-A183 PolarHBondContact O-N 3.35Å; A183-T186 WeakPolarHBondContact O-CG2 3.33Å; A183-Q187 VanDerWaalsContact O-CG 3.22Å; A183-Q187 WeakPolarHBondContact O-CG 3.12Å; A183-Q187 PolarHBondContact O-N 3.19Å; A183-M232 HydrophobicContact CB-CE 4.11Å; A183-M232 HydrophobicContact CB-SD 4.27Å; A183-A248 WeakPolarHBondContact CB-O 3.44Å; A183-N249 HydrophobicContact CB-CB 3.7Å; A183-I348 HydrophobicContact CB-CG2 4.08Å
184Y98.8Very high98.7Very high82 Ų8242.6 Ų42.632%0.32221%0.21SC..Hα-helixtrans-65.5-47.1171.9178.4-101.1000111.3D180 N181 Y182 T186 Q187 Q188 T227 L229D180-Y184 WeakPolarHBondContact O-CB 3.2Å; D180-Y184 PolarHBondContact O-N 3.12Å; N181-Y184 PolarHBondContact O-N 3.11Å; Y182-Y184 VanDerWaalsContact C-N 3.3Å; Y182-Y184 PolarHBondContact O-N 2.89Å; Y184-T186 PolarHBondContact O-N 2.82Å; Y184-Q187 WeakPolarHBondContact O-CB 3.42Å; Y184-Q187 PolarHBondContact O-N 3.21Å; Y184-Q188 HydrophobicContact CD1-CG 4.14Å; Y184-Q188 HydrophobicContact CE1-CG 3.67Å; Y184-Q188 HydrophobicContact CE2-CG 4.07Å; Y184-Q188 WeakPolarHBondContact O-CG 3.44Å; Y184-Q188 PolarHBondContact O-N 2.95Å; Y184-T227 HydrophobicContact CD2-CG2 4.4Å; Y184-T227 WeakPolarHBondContact CE2-O 3.41Å; Y184-L229 HydrophobicContact CD1-CG 4.46Å; Y184-L229 HydrophobicContact CD2-CG 4.37Å; Y184-L229 HydrophobicContact CG-CD2 4.03Å; Y184-L229 HydrophobicContact CG-CG 4.09Å
185Q98.6Very high98.7Very high70 Ų7048.4 Ų48.433%0.32724%0.237SC..Hα-helixtrans-57.1-47.2179.6-177.8-177.16600112.2N181 Y182 Q187 Q188 R189N181-Q185 WeakPolarHBondContact O-CB 3.47Å; N181-Q185 PolarHBondContact O-N 2.87Å; Y182-Q185 WeakPolarHBondContact O-CB 3.5Å; Y182-Q185 PolarHBondContact O-N 2.71Å; Y182-Q185 VanDerWaalsContact O-N 3.15Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.19Å; Q185-Q188 PolarHBondContact O-N 3.44Å; Q185-R189 HydrophobicContact CG-CG 4.36Å; Q185-R189 WeakPolarHBondContact O-CG 3.25Å; Q185-R189 PolarHBondContact O-N 3.4Å
186T98.6Very high98.7Very high0 Ų047.5 Ų47.50%024%0.24CC..Hα-helixtrans-64.7-34.8-179.9-175.70000112.4Y182 A183 Y184 R189 W190 E321 G345 G346 I348Y182-T186 WeakPolarHBondContact O-CG2 3.32Å; Y182-T186 PolarHBondContact O-N 3.48Å; A183-T186 WeakPolarHBondContact O-CG2 3.33Å; Y184-T186 PolarHBondContact O-N 2.82Å; T186-R189 PolarHBondContact O-N 3.29Å; T186-W190 WeakPolarHBondContact O-CB 3.42Å; T186-W190 PolarHBondContact O-N 3.47Å; T186-E321 VanDerWaalsContact OG1-CD 3.31Å; T186-E321 PolarHBondContact OG1-OE1 2.96Å; T186-E321 PolarHBondContact OG1-OE2 2.76Å; T186-G345 WeakPolarHBondContact OG1-CA 3.3Å; T186-G346 PolarHBondContact OG1-N 3.25Å; T186-I348 HydrophobicContact CG2-CB 3.74Å; T186-I348 HydrophobicContact CG2-CD1 4.41Å; T186-I348 HydrophobicContact CG2-CG2 3.75Å
187Q98.8Very high98.7Very high9 Ų946.6 Ų46.64%0.04225%0.248CC..Hα-helixtrans-64.3-42.1171.8-66.4-74.2-2.300112.1A183 Y184 Q185 K191 T227 M232 I348A183-Q187 VanDerWaalsContact O-CG 3.22Å; A183-Q187 WeakPolarHBondContact O-CG 3.12Å; A183-Q187 PolarHBondContact O-N 3.19Å; Y184-Q187 WeakPolarHBondContact O-CB 3.42Å; Y184-Q187 PolarHBondContact O-N 3.21Å; Q185-Q187 VanDerWaalsContact C-N 3.32Å; Q185-Q187 PolarHBondContact O-N 3.19Å; Q187-K191 PolarHBondContact O-N 3.42Å; Q187-T227 HydrophobicContact CB-CG2 4.32Å; Q187-T227 HydrophobicContact CG-CG2 4.17Å; Q187-M232 HydrophobicContact CG-CE 4.44Å; Q187-I348 PolarHBondContact NE2-O 2.92Å
188Q98.8Very high98.7Very high50 Ų5041.7 Ų41.723%0.23423%0.225CC..Hα-helixtrans-69.6-37.9176.9-61.6-45.6-51.500112.4Y184 Q185 K191 A192 P225Y184-Q188 HydrophobicContact CD1-CG 4.14Å; Y184-Q188 HydrophobicContact CE1-CG 3.67Å; Y184-Q188 HydrophobicContact CE2-CG 4.07Å; Y184-Q188 WeakPolarHBondContact O-CG 3.44Å; Y184-Q188 PolarHBondContact O-N 2.95Å; Q185-Q188 PolarHBondContact O-N 3.44Å; Q188-K191 WeakPolarHBondContact O-CB 3.2Å; Q188-K191 PolarHBondContact O-N 2.96Å; Q188-A192 PolarHBondContact O-N 3.28Å; Q188-P225 PolarHBondContact NE2-O 3.09Å
189R98.8Very high98.7Very high30 Ų3038.9 Ų38.911%0.11321%0.209CC..Hα-helixtrans-64.4-43.3174.9-74.6178.8173.7-175.3-5.4111.8Q185 T186 K191 A192 A193 P338 E339 S341 N342Q185-R189 HydrophobicContact CG-CG 4.36Å; Q185-R189 WeakPolarHBondContact O-CG 3.25Å; Q185-R189 PolarHBondContact O-N 3.4Å; T186-R189 PolarHBondContact O-N 3.29Å; R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 2.91Å; R189-A192 PolarHBondContact O-N 3.03Å; R189-A193 VanDerWaalsContact O-CB 3.25Å; R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.18Å; R189-P338 PolarHBondContact NH1-O 3.22Å; R189-P338 PolarHBondContact NH2-O 3.5Å; R189-E339 IonicContact NH2-OE1 2.99Å; R189-S341 PolarHBondContact NH1-O 2.88Å; R189-N342 WeakPolarHBondContact CD-O 3.36Å; R189-N342 PolarHBondContact NH1-O 2.92Å; R189-N342 VanDerWaalsContact NH1-O 3.08Å
190W98.8Very high98.6Very high16 Ų1644 Ų446%0.06124%0.241CC..Hα-helixtrans-58.8-45.7172.9175.185.8000111.3T186 A192 A193 H194 F199 P223 P225 N344 A349 I350T186-W190 WeakPolarHBondContact O-CB 3.42Å; T186-W190 PolarHBondContact O-N 3.47Å; W190-A192 PolarHBondContact O-N 2.83Å; W190-A193 PolarHBondContact O-N 2.87Å; W190-H194 HydrophobicContact CD2-CB 4.45Å; W190-H194 HydrophobicContact CH2-CB 4.22Å; W190-H194 HydrophobicContact CZ2-CB 4Å; W190-H194 AromaticContact CZ2-CG 3.9Å; W190-H194 VanDerWaalsContact O-CB 3.29Å; W190-H194 WeakPolarHBondContact O-CB 3.38Å; W190-H194 PolarHBondContact O-N 3.48Å; W190-F199 AromaticContact CD1-CE2 3.68Å; W190-F199 AromaticContact CD1-CZ 3.94Å; W190-F199 HydrophobicContact CG-CE2 4.5Å; W190-F199 AromaticContact NE1-CE2 3.8Å; W190-P223 HydrophobicContact CD2-CB 3.42Å; W190-P223 VanDerWaalsContact CD2-CB 3.42Å; W190-P223 HydrophobicContact CD2-CG 3.52Å; W190-P223 HydrophobicContact CE3-CB 3.32Å; W190-P223 HydrophobicContact CE3-CG 3.96Å; W190-P223 HydrophobicContact CG-CB 4.2Å; W190-P223 HydrophobicContact CG-CG 4.05Å; W190-P223 HydrophobicContact CH2-CB 3.6Å; W190-P223 HydrophobicContact CH2-CG 3.91Å; W190-P223 HydrophobicContact CZ2-CB 3.7Å; W190-P223 HydrophobicContact CZ2-CG 3.46Å; W190-P223 VanDerWaalsContact CZ2-CG 3.46Å; W190-P223 HydrophobicContact CZ3-CB 3.42Å; W190-P223 VanDerWaalsContact CZ3-CB 3.42Å; W190-P223 HydrophobicContact CZ3-CG 4.15Å; W190-P225 HydrophobicContact CE3-CB 4.43Å; W190-P225 HydrophobicContact CZ3-CB 4.29Å; W190-P225 HydrophobicContact CZ3-CG 3.93Å; W190-N344 VanDerWaalsContact CA-O 3.3Å; W190-N344 WeakPolarHBondContact CA-O 3.24Å; W190-N344 PolarHBondContact N-O 3.5Å; W190-A349 HydrophobicContact CB-CB 3.77Å; W190-A349 HydrophobicContact CG-CB 4.17Å; W190-I350 HydrophobicContact CG-CG2 4.16Å
191K98.8Very high98.6Very high76 Ų7646.2 Ų46.233%0.3326%0.26SS..Hα-helixtrans-56.2-53.8178.3-172-166.9175.3176.90111.2Q187 Q188 R189 A193 H194 E195 P225Q187-K191 PolarHBondContact O-N 3.42Å; Q188-K191 WeakPolarHBondContact O-CB 3.2Å; Q188-K191 PolarHBondContact O-N 2.96Å; R189-K191 VanDerWaalsContact C-N 3.32Å; R189-K191 PolarHBondContact O-N 2.91Å; K191-A193 VanDerWaalsContact C-N 3.31Å; K191-A193 PolarHBondContact O-N 3.42Å; K191-H194 PolarHBondContact O-N 3.24Å; K191-E195 WeakPolarHBondContact CE-OE1 3.43Å; K191-E195 WeakPolarHBondContact O-CB 3.17Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.46Å; K191-P225 HydrophobicContact CB-CB 3.77Å; K191-P225 HydrophobicContact CD-CB 3.92Å; K191-P225 HydrophobicContact CG-CB 3.81Å
192A98.8Very high98.6Very high57 Ų5743.1 Ų43.147%0.47124%0.243SC..Hα-helixtrans-61.4-40.2-179.100000111.8Q188 R189 W190 G196Q188-A192 PolarHBondContact O-N 3.28Å; R189-A192 PolarHBondContact O-N 3.03Å; W190-A192 PolarHBondContact O-N 2.83Å; A192-G196 PolarHBondContact O-N 2.73Å
193A98.8Very high98.6Very high1 Ų143.3 Ų43.31%0.00825%0.245CC..Hα-helixtrans-67.9-38.4177.500000112.8R189 W190 K191 G197 H198 F199 N344R189-A193 VanDerWaalsContact O-CB 3.25Å; R189-A193 WeakPolarHBondContact O-CB 3.4Å; R189-A193 PolarHBondContact O-N 3.18Å; W190-A193 PolarHBondContact O-N 2.87Å; K191-A193 VanDerWaalsContact C-N 3.31Å; K191-A193 PolarHBondContact O-N 3.42Å; A193-G197 PolarHBondContact O-N 3.06Å; A193-G197 VanDerWaalsContact O-N 3.16Å; A193-H198 WeakPolarHBondContact CA-ND1 3.34Å; A193-H198 HydrophobicContact CB-CB 4.07Å; A193-H198 WeakPolarHBondContact O-CB 3.36Å; A193-H198 PolarHBondContact O-N 2.91Å; A193-F199 HydrophobicContact CB-CE2 3.69Å; A193-F199 HydrophobicContact CB-CZ 3.73Å; A193-N344 HydrophobicContact CB-CB 3.55Å; A193-N344 WeakPolarHBondContact CB-OD1 3.44Å
194H98.5Very high98.6Very high74 Ų7443.5 Ų43.534%0.34325%0.246SC..Hα-helixtrans-66.2-50.4175.7-179.864.3000111.3W190 K191 G196 G197 F199W190-H194 HydrophobicContact CD2-CB 4.45Å; W190-H194 HydrophobicContact CH2-CB 4.22Å; W190-H194 HydrophobicContact CZ2-CB 4Å; W190-H194 AromaticContact CZ2-CG 3.9Å; W190-H194 VanDerWaalsContact O-CB 3.29Å; W190-H194 WeakPolarHBondContact O-CB 3.38Å; W190-H194 PolarHBondContact O-N 3.48Å; K191-H194 PolarHBondContact O-N 3.24Å; H194-G196 VanDerWaalsContact C-N 3.26Å; H194-G196 PolarHBondContact O-N 2.79Å; H194-G197 PolarHBondContact O-N 3.35Å; H194-F199 HydrophobicContact CB-CD2 4.39Å; H194-F199 HydrophobicContact CB-CE2 4.36Å
195E98.4Very high98.6Very high138 Ų13842.7 Ų42.765%0.64525%0.251SS*.Hα-helixtrans-63-33.3177-70.4174.5170.600112K191 G197K191-E195 WeakPolarHBondContact CE-OE1 3.43Å; K191-E195 WeakPolarHBondContact O-CB 3.17Å; K191-E195 WeakPolarHBondContact O-CG 3.44Å; K191-E195 PolarHBondContact O-N 3.46Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 3.29Å
196G98.4Very high98.5Very high48 Ų4839.6 Ų39.650%0.49524%0.237SC..THydrogen-bonded Turntrans-78.9-2.5174.400000115A192 H194 H198A192-G196 PolarHBondContact O-N 2.73Å; H194-G196 VanDerWaalsContact C-N 3.26Å; H194-G196 PolarHBondContact O-N 2.79Å; G196-H198 VanDerWaalsContact C-N 3.3Å; G196-H198 PolarHBondContact O-CD2 2.87Å; G196-H198 PolarHBondContact O-N 3.24Å
197G98.4Very high98.4Very high34 Ų3445 Ų4535%0.35126%0.263SS..THydrogen-bonded Turntrans69.421.4179.700000114.7A193 H194 E195 F199 T200A193-G197 PolarHBondContact O-N 3.06Å; A193-G197 VanDerWaalsContact O-N 3.16Å; H194-G197 PolarHBondContact O-N 3.35Å; E195-G197 VanDerWaalsContact C-N 3.29Å; E195-G197 PolarHBondContact O-N 3.29Å; G197-F199 PolarHBondContact O-N 3.38Å; G197-T200 WeakPolarHBondContact O-CB 3.45Å; G197-T200 PolarHBondContact O-N 3.44Å; G197-T200 PolarHBondContact O-OG1 3.49Å; G197-T200 VanDerWaalsContact O-OG1 3.12Å
198H98.7Very high98.1Very high39 Ų3945 Ų4518%0.18126%0.263CS..THydrogen-bonded Turntrans-65.1-25.8-176.2-59.3175.4000112.5A193 G196 N344A193-H198 WeakPolarHBondContact CA-ND1 3.34Å; A193-H198 HydrophobicContact CB-CB 4.07Å; A193-H198 WeakPolarHBondContact O-CB 3.36Å; A193-H198 PolarHBondContact O-N 2.91Å; G196-H198 VanDerWaalsContact C-N 3.3Å; G196-H198 PolarHBondContact O-CD2 2.87Å; G196-H198 PolarHBondContact O-N 3.24Å; H198-N344 PolarHBondContact ND1-OD1 3.45Å
199F98.8Very high97.7Very high10 Ų1050.2 Ų50.24%0.04429%0.285CS..THydrogen-bonded Turntrans-90.3-4.4179.3-53.6-58.9000114.4W190 A193 H194 G197 A201 E202 I203 N344 H364W190-F199 AromaticContact CD1-CE2 3.68Å; W190-F199 AromaticContact CD1-CZ 3.94Å; W190-F199 HydrophobicContact CG-CE2 4.5Å; W190-F199 AromaticContact NE1-CE2 3.8Å; A193-F199 HydrophobicContact CB-CE2 3.69Å; A193-F199 HydrophobicContact CB-CZ 3.73Å; H194-F199 HydrophobicContact CB-CD2 4.39Å; H194-F199 HydrophobicContact CB-CE2 4.36Å; G197-F199 PolarHBondContact O-N 3.38Å; F199-A201 VanDerWaalsContact C-N 3.29Å; F199-A201 PolarHBondContact O-N 3.26Å; F199-E202 HydrophobicContact CB-CG 4.15Å; F199-E202 HydrophobicContact CD1-CG 4.48Å; F199-E202 WeakPolarHBondContact O-CG 3.42Å; F199-E202 PolarHBondContact O-N 3.46Å; F199-I203 HydrophobicContact CB-CD1 3.72Å; F199-I203 HydrophobicContact CB-CG1 4.1Å; F199-I203 WeakPolarHBondContact O-CG1 3.33Å; F199-I203 PolarHBondContact O-N 2.91Å; F199-N344 HydrophobicContact CE1-CB 4.08Å; F199-N344 HydrophobicContact CZ-CB 3.98Å; F199-N344 WeakPolarHBondContact CZ-O 2.92Å; F199-H364 AromaticContact CD1-CE1 3.91Å; F199-H364 AromaticContact CD1-ND1 3.89Å; F199-H364 AromaticContact CE1-CE1 3.54Å; F199-H364 AromaticContact CE1-ND1 3.79Å
200T98Very high97.2Very high107 Ų10751 Ų5166%0.65630%0.298SS*.THydrogen-bonded Turntrans-61.4-38-174.1-59.90000112.2G197 E202G197-T200 WeakPolarHBondContact O-CB 3.45Å; G197-T200 PolarHBondContact O-N 3.44Å; G197-T200 PolarHBondContact O-OG1 3.49Å; G197-T200 VanDerWaalsContact O-OG1 3.12Å; T200-E202 VanDerWaalsContact C-N 3.35Å; T200-E202 PolarHBondContact O-N 3.02Å
201A97.9Very high96.6Very high54 Ų5460.8 Ų60.845%0.44634%0.341SS..THydrogen-bonded Turntrans-70.4-29.2-18000000113K13 F199 H367K13-A201 WeakPolarHBondContact CD-O 3.45Å; K13-A201 PolarHBondContact NZ-O 2.69Å; F199-A201 VanDerWaalsContact C-N 3.29Å; F199-A201 PolarHBondContact O-N 3.26Å; A201-H367 HydrophobicContact CB-CB 4.48Å
202E98.5Very high96Very high0 Ų066.7 Ų66.70%037%0.366CS..THydrogen-bonded Turntrans-95.5-32.1-175.763.8179.4-116.900113.9K13 R14 F199 T200 A204 H364K13-E202 CarbonylContact C-O 3.6Å; K13-E202 WeakPolarHBondContact CA-O 3.25Å; K13-E202 VanDerWaalsContact CE-O 3.25Å; K13-E202 WeakPolarHBondContact CE-O 3.4Å; R14-E202 HydrophobicContact CG-CB 4.19Å; R14-E202 HydrophobicContact CG-CG 4.19Å; R14-E202 IonicContact CZ-OE1 3.86Å; R14-E202 PolarHBondContact N-O 3.05Å; R14-E202 IonicContact NE-OE1 3.83Å; R14-E202 PolarHBondContact NE-OE1 2.99Å; R14-E202 IonicContact NH2-OE1 3.02Å; F199-E202 HydrophobicContact CB-CG 4.15Å; F199-E202 HydrophobicContact CD1-CG 4.48Å; F199-E202 WeakPolarHBondContact O-CG 3.42Å; F199-E202 PolarHBondContact O-N 3.46Å; T200-E202 VanDerWaalsContact C-N 3.35Å; T200-E202 PolarHBondContact O-N 3.02Å; E202-A204 PolarHBondContact O-N 2.75Å; E202-H364 IonicContact OE1-ND1 3.27Å; E202-H364 WeakPolarHBondContact OE2-CA 3.33Å; E202-H364 IonicContact OE2-CE1 2.84Å; E202-H364 IonicContact OE2-CG 2.66Å; E202-H364 IonicContact OE2-ND1 3.4Å; E202-H364 PolarHBondContact OE2-ND1 3.36Å
203I98.8Very high95.6Very high14 Ų1466.6 Ų66.67%0.07237%0.371CS..BIsolated β-bridgetrans-70.6132.2-176.4-71.4176.3000110.9K13 R14 F199 T218K13-I203 WeakPolarHBondContact CE-O 3.4Å; K13-I203 PolarHBondContact NZ-O 2.98Å; R14-I203 CarbonylContact O-C 3.54Å; R14-I203 WeakPolarHBondContact O-CA 3.29Å; F199-I203 HydrophobicContact CB-CD1 3.72Å; F199-I203 HydrophobicContact CB-CG1 4.1Å; F199-I203 WeakPolarHBondContact O-CG1 3.33Å; F199-I203 PolarHBondContact O-N 2.91Å; I203-T218 WeakPolarHBondContact CD1-O 3.32Å
204A98.6Very high95.3Very high4 Ų473.3 Ų73.33%0.03340%0.4CS..  trans-105.4105.3165.200000108.3R14 P16 H35 A39 E202 V206R14-A204 PolarHBondContact O-N 2.77Å; P16-A204 VanDerWaalsContact CD-O 3.22Å; P16-A204 WeakPolarHBondContact CD-O 3.39Å; H35-A204 PolarHBondContact NE2-O 2.74Å; A39-A204 HydrophobicContact CB-CB 3.38Å; E202-A204 PolarHBondContact O-N 2.75Å; A204-V206 PolarHBondContact O-N 2.83Å
205P98.3Very high95.2Very high66 Ų6673 Ų7343%0.42940%0.402SS..  trans-58.4133.7-177-26.235.2000112.6H35 P216 M217 T218H35-P205 PolarHBondContact CE1-O 3.42Å; H35-P205 PolarHBondContact NE2-O 3.37Å; P205-P216 HydrophobicContact CB-CB 4.25Å; P205-M217 CarbonylContact C-O 3.6Å; P205-M217 WeakPolarHBondContact CA-O 3.31Å; P205-T218 HydrophobicContact CB-CG2 4.01Å; P205-T218 HydrophobicContact CG-CG2 4.12Å
206V98.1Very high95.1Very high4 Ų470.5 Ų70.52%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-105131.8-179.21750000109.4T15 P16 L24 H35 A204 V208 M217T15-V206 HydrophobicContact CG2-CG2 4.03Å; P16-V206 HydrophobicContact CG-CB 4.3Å; P16-V206 HydrophobicContact CG-CG2 4.14Å; L24-V206 HydrophobicContact CD2-CB 4.39Å; L24-V206 HydrophobicContact CD2-CG1 3.92Å; H35-V206 VanDerWaalsContact CD2-CG2 3.44Å; H35-V206 WeakPolarHBondContact CD2-CG2 3.38Å; A204-V206 PolarHBondContact O-N 2.83Å; V206-V208 HydrophobicContact CG1-CG1 4.25Å; V206-V208 PolarHBondContact O-N 3.06Å; V206-M217 PolarHBondContact N-O 3.16Å; V206-M217 VanDerWaalsContact N-O 3.09Å; V206-M217 PolarHBondContact O-N 3.44Å
207E95.1Very high95.1Very high115 Ų11569 Ų6954%0.53738%0.379SS..EExtended strand (participates in β ladder)trans-69.5120.8172-67.3-163.1142.600110.6K214E207-K214 HydrophobicContact CB-CD 4.16Å; E207-K214 WeakPolarHBondContact OE2-CD 3.32Å; E207-K214 IonicContact OE2-NZ 3.35Å; E207-K214 PolarHBondContact OE2-NZ 2.86Å
208V94.3Very high95Very high9 Ų970.6 Ų70.66%0.05538%0.382CS..EExtended strand (participates in β ladder)trans-118.5152.6177.7-62.50000111.2V23 L24 V206 A210 K214 V215 M217V23-V208 HydrophobicContact CB-CB 4.44Å; V23-V208 HydrophobicContact CB-CG1 4.33Å; V23-V208 HydrophobicContact CG2-CG1 4.31Å; L24-V208 HydrophobicContact CD2-CG1 3.78Å; V206-V208 HydrophobicContact CG1-CG1 4.25Å; V206-V208 PolarHBondContact O-N 3.06Å; V208-A210 PolarHBondContact O-N 2.9Å; V208-K214 WeakPolarHBondContact O-CA 3.47Å; V208-V215 HydrophobicContact CG2-CG2 3.93Å; V208-V215 WeakPolarHBondContact CG2-O 3.48Å; V208-V215 PolarHBondContact N-O 3.29Å; V208-V215 PolarHBondContact O-N 2.89Å; V208-M217 HydrophobicContact CG1-CB 3.95Å; V208-M217 HydrophobicContact CG1-SD 4.44Å; V208-M217 HydrophobicContact CG2-CB 4.07Å
209K89.9Confident94.9Very high159 Ų15972.9 Ų72.969%0.69139%0.393SS*.EExtended strand (participates in β ladder)trans-68.9129.7175.1-65.3175.2-171.1159.10109.6D26D26-K209 IonicContact OD2-NZ 2.86Å; D26-K209 PolarHBondContact OD2-NZ 2.7Å
210A87.6Confident94.9Very high46 Ų4672.6 Ų72.638%0.3839%0.392SS..EExtended strand (participates in β ladder)trans-117.5173.1168.700000110.5V208 K212 G213 V215V208-A210 PolarHBondContact O-N 2.9Å; A210-K212 PolarHBondContact O-N 3.36Å; A210-K212 VanDerWaalsContact O-N 3.08Å; A210-G213 PolarHBondContact N-O 3.01Å; A210-V215 HydrophobicContact CB-CG1 3.96Å; A210-V215 HydrophobicContact CB-CG2 3.84Å
211K85.4Confident94.9Very high221 Ų22170.8 Ų70.896%0.96138%0.375SS*.THydrogen-bonded Turntrans-55.4-27.6175.9-69.4-174.2179.2179.60113.1
212K86.7Confident95Very high201 Ų20169.1 Ų69.187%0.87436%0.359SS*.THydrogen-bonded Turntrans-129.882.9178.3-69.8-175.5177.8-177.70110.4A210A210-K212 PolarHBondContact O-N 3.36Å; A210-K212 VanDerWaalsContact O-N 3.08Å
213G90.9Very high95Very high54 Ų5469.9 Ų69.956%0.55736%0.364SS*.EExtended strand (participates in β ladder)trans80.2-155.9175.800000113.8A210A210-G213 PolarHBondContact N-O 3.01Å
214K93.1Very high94.9Very high143 Ų14376 Ų7662%0.62239%0.386SS*.EExtended strand (participates in β ladder)trans-99.9142.7178.1-62.4-170.7-175.7-172.70110.7E207 V208E207-K214 HydrophobicContact CB-CD 4.16Å; E207-K214 WeakPolarHBondContact OE2-CD 3.32Å; E207-K214 IonicContact OE2-NZ 3.35Å; E207-K214 PolarHBondContact OE2-NZ 2.86Å; V208-K214 WeakPolarHBondContact O-CA 3.47Å
215V95.3Very high94.8Very high66 Ų6677.3 Ų77.340%0.439%0.394SS..EExtended strand (participates in β ladder)trans-131.6149.4173.8-60.80000109.8V208 A210 M217V208-V215 HydrophobicContact CG2-CG2 3.93Å; V208-V215 WeakPolarHBondContact CG2-O 3.48Å; V208-V215 PolarHBondContact N-O 3.29Å; V208-V215 PolarHBondContact O-N 2.89Å; A210-V215 HydrophobicContact CB-CG1 3.96Å; A210-V215 HydrophobicContact CB-CG2 3.84Å; V215-M217 PolarHBondContact O-N 3Å
216P96.6Very high94.7Very high87 Ų8780.9 Ų80.957%0.56541%0.405SS*.EExtended strand (participates in β ladder)trans-75.2125.3175.330.2-33.4000110.6P205 T218P205-P216 HydrophobicContact CB-CB 4.25Å; P216-T218 HydrophobicContact CB-CG2 4.16Å
217M97.4Very high94.5Very high15 Ų1581.8 Ų81.87%0.07441%0.41CS..EExtended strand (participates in β ladder)trans-79.5116.3161.8-176-173.5-170.900108.1P16 F17 V23 L24 P205 V206 V208 V215 H219 E221P16-M217 HydrophobicContact CB-CE 3.85Å; P16-M217 HydrophobicContact CB-CG 3.77Å; P16-M217 HydrophobicContact CB-SD 3.76Å; P16-M217 HydrophobicContact CG-CB 4.02Å; P16-M217 HydrophobicContact CG-CE 4.3Å; P16-M217 HydrophobicContact CG-CG 3.58Å; P16-M217 HydrophobicContact CG-SD 3.54Å; P16-M217 VanDerWaalsContact CG-SD 3.54Å; F17-M217 WeakPolarHBondContact O-CE 3.2Å; V23-M217 HydrophobicContact CG2-CE 3.59Å; V23-M217 HydrophobicContact CG2-CG 4.38Å; V23-M217 HydrophobicContact CG2-SD 3.34Å; V23-M217 WeakPolarHBondContact CG2-SD 3.3Å; L24-M217 HydrophobicContact CD1-SD 4.27Å; L24-M217 HydrophobicContact CD2-SD 3.89Å; L24-M217 HydrophobicContact CG-SD 3.96Å; P205-M217 CarbonylContact C-O 3.6Å; P205-M217 WeakPolarHBondContact CA-O 3.31Å; V206-M217 PolarHBondContact N-O 3.16Å; V206-M217 VanDerWaalsContact N-O 3.09Å; V206-M217 PolarHBondContact O-N 3.44Å; V208-M217 HydrophobicContact CG1-CB 3.95Å; V208-M217 HydrophobicContact CG1-SD 4.44Å; V208-M217 HydrophobicContact CG2-CB 4.07Å; V215-M217 PolarHBondContact O-N 3Å; M217-H219 VanDerWaalsContact CE-O 3.25Å; M217-H219 WeakPolarHBondContact CE-O 3.44Å; M217-E221 HydrophobicContact CE-CB 3.63Å
218T97.3Very high94.6Very high69 Ų6978.6 Ų78.642%0.42340%0.399SS..  trans-115.2-0-173.755.80000113.6I203 P205 P216I203-T218 WeakPolarHBondContact CD1-O 3.32Å; P205-T218 HydrophobicContact CB-CG2 4.01Å; P205-T218 HydrophobicContact CG-CG2 4.12Å; P216-T218 HydrophobicContact CB-CG2 4.16Å
219H97.4Very high94.8Very high87 Ų8780.9 Ų80.940%0.40341%0.411SS..SBendtrans-148.7160.1-175.755.5-84.9000110.5P16 M217P16-H219 VanDerWaalsContact CB-O 3.28Å; P16-H219 WeakPolarHBondContact CB-O 3.32Å; M217-H219 VanDerWaalsContact CE-O 3.25Å; M217-H219 WeakPolarHBondContact CE-O 3.44Å
220D98.6Very high95.2Very high4 Ų479.2 Ų79.22%0.02141%0.405CS..  trans-66138.4176.8-58-58.5000110.9R14 F17 P223 I350R14-D220 IonicContact CZ-OD1 3.55Å; R14-D220 IonicContact CZ-OD2 2.76Å; R14-D220 IonicContact NH1-OD1 3.56Å; R14-D220 PolarHBondContact NH1-OD1 3.32Å; R14-D220 IonicContact NH1-OD2 3.93Å; R14-D220 PolarHBondContact NH1-OD2 3.24Å; R14-D220 IonicContact NH2-OD1 3.52Å; R14-D220 IonicContact NH2-OD2 2.71Å; R14-D220 PolarHBondContact NH2-OD2 2.97Å; F17-D220 PolarHBondContact N-OD1 3.41Å; D220-P223 HydrophobicContact CB-CG 3.94Å; D220-P223 WeakPolarHBondContact O-CD 3.34Å; D220-I350 HydrophobicContact CB-CB 4.25Å; D220-I350 HydrophobicContact CB-CG2 4Å
221E98.3Very high95.7Very high68 Ų6882 Ų8232%0.31841%0.41SS..SBendtrans-86.8-30.2-176.7-179.4-178.7-157.700113F17 G18 T19 V23 M217F17-E221 PolarHBondContact O-N 2.97Å; G18-E221 WeakPolarHBondContact CA-OE2 3.21Å; T19-E221 HydrophobicContact CG2-CG 4.05Å; T19-E221 PolarHBondContact N-OE2 2.91Å; V23-E221 PolarHBondContact N-OE1 3.42Å; V23-E221 PolarHBondContact N-OE2 3.17Å; M217-E221 HydrophobicContact CE-CB 3.63Å
222H98.5Very high96.2Very high20 Ų2071.6 Ų71.69%0.09337%0.365CS..SBendtrans-67.1-33.1-174.7-160.669.6000116.8T19 A349T19-H222 PolarHBondContact OG1-ND1 2.9Å; T19-H222 VanDerWaalsContact OG1-ND1 3.1Å; H222-A349 CarbonylContact C-O 3.52Å; H222-A349 PolarHBondContact CD2-O 2.9Å; H222-A349 VanDerWaalsContact CD2-O 3.29Å
223P98.6Very high96.7Very high16 Ų1665.1 Ų65.110%0.10435%0.349CS..  trans-56.3144-173.5-29.537000114.8W190 D220 P225 A349 I350W190-P223 HydrophobicContact CD2-CB 3.42Å; W190-P223 VanDerWaalsContact CD2-CB 3.42Å; W190-P223 HydrophobicContact CD2-CG 3.52Å; W190-P223 HydrophobicContact CE3-CB 3.32Å; W190-P223 HydrophobicContact CE3-CG 3.96Å; W190-P223 HydrophobicContact CG-CB 4.2Å; W190-P223 HydrophobicContact CG-CG 4.05Å; W190-P223 HydrophobicContact CH2-CB 3.6Å; W190-P223 HydrophobicContact CH2-CG 3.91Å; W190-P223 HydrophobicContact CZ2-CB 3.7Å; W190-P223 HydrophobicContact CZ2-CG 3.46Å; W190-P223 VanDerWaalsContact CZ2-CG 3.46Å; W190-P223 HydrophobicContact CZ3-CB 3.42Å; W190-P223 VanDerWaalsContact CZ3-CB 3.42Å; W190-P223 HydrophobicContact CZ3-CG 4.15Å; D220-P223 HydrophobicContact CB-CG 3.94Å; D220-P223 WeakPolarHBondContact O-CD 3.34Å; P223-P225 VanDerWaalsContact C-CD 3.48Å; P223-A349 WeakPolarHBondContact CA-O 3.21Å; P223-A349 WeakPolarHBondContact CD-O 3.46Å; P223-A349 WeakPolarHBondContact CG-O 3.48Å; P223-I350 HydrophobicContact CG-CG2 4.01Å
224R97.8Very high97Very high142 Ų14270.9 Ų70.954%0.53636%0.359SS..  trans-13161.4-178.8-59.3-179.8-171.4-171.30.7110.3Q226 T227R224-Q226 PolarHBondContact O-N 3.35Å; R224-T227 VanDerWaalsContact O-CB 3.32Å; R224-T227 WeakPolarHBondContact O-CB 3.4Å; R224-T227 WeakPolarHBondContact O-CG2 3.48Å; R224-T227 PolarHBondContact O-N 2.99Å
225P95.3Very high97.3Very high32 Ų3267.1 Ų67.121%0.20835%0.345CS..THydrogen-bonded Turntrans-61.4-19.1-173.429.8-41000114.4Q188 W190 K191 P223 T227Q188-P225 PolarHBondContact NE2-O 3.09Å; W190-P225 HydrophobicContact CE3-CB 4.43Å; W190-P225 HydrophobicContact CZ3-CB 4.29Å; W190-P225 HydrophobicContact CZ3-CG 3.93Å; K191-P225 HydrophobicContact CB-CB 3.77Å; K191-P225 HydrophobicContact CD-CB 3.92Å; K191-P225 HydrophobicContact CG-CB 3.81Å; P223-P225 VanDerWaalsContact C-CD 3.48Å; P225-T227 VanDerWaalsContact C-N 3.28Å
226Q96.9Very high97.4Very high141 Ų14168.8 Ų68.866%0.65936%0.357SS*.THydrogen-bonded Turntrans-79.7-4177.174.8-78.614.300114.3R224R224-Q226 PolarHBondContact O-N 3.35Å
227T93.9Very high97.4Very high22 Ų2266.5 Ų66.514%0.13534%0.342CS..  trans-65.3151.6179.6-164.40000111.8Y184 Q187 R224 P225 M232Y184-T227 HydrophobicContact CD2-CG2 4.4Å; Y184-T227 WeakPolarHBondContact CE2-O 3.41Å; Q187-T227 HydrophobicContact CB-CG2 4.32Å; Q187-T227 HydrophobicContact CG-CG2 4.17Å; R224-T227 VanDerWaalsContact O-CB 3.32Å; R224-T227 WeakPolarHBondContact O-CB 3.4Å; R224-T227 WeakPolarHBondContact O-CG2 3.48Å; R224-T227 PolarHBondContact O-N 2.99Å; P225-T227 VanDerWaalsContact C-N 3.28Å; T227-M232 HydrophobicContact CG2-CE 3.35Å; T227-M232 HydrophobicContact CG2-SD 4.49Å
228T97.6Very high97.4Very high49 Ų4969.8 Ų69.830%0.30136%0.362SS..  trans-122156.8174.8840000111.4E230 Q231 M232T228-E230 WeakPolarHBondContact CB-OE2 3.2Å; T228-E230 PolarHBondContact O-N 2.92Å; T228-E230 PolarHBondContact OG1-N 2.86Å; T228-E230 PolarHBondContact OG1-OE2 3.46Å; T228-Q231 VanDerWaalsContact N-OE1 3.14Å; T228-Q231 WeakPolarHBondContact O-CB 3.45Å; T228-Q231 PolarHBondContact O-N 3.3Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.36Å; T228-M232 WeakPolarHBondContact O-CG 3.3Å; T228-M232 PolarHBondContact O-N 3.28Å
229L98Very high97.4Very high57 Ų5769.7 Ų69.730%0.29836%0.356SS..Hα-helixtrans-58.8-36176.9-72.3171.2000111.7N181 Y184 Q231 M232 A233N181-L229 WeakPolarHBondContact OD1-CD1 3.49Å; N181-L229 WeakPolarHBondContact OD1-CD2 3.43Å; Y184-L229 HydrophobicContact CD1-CG 4.46Å; Y184-L229 HydrophobicContact CD2-CG 4.37Å; Y184-L229 HydrophobicContact CG-CD2 4.03Å; Y184-L229 HydrophobicContact CG-CG 4.09Å; L229-Q231 VanDerWaalsContact C-N 3.31Å; L229-Q231 PolarHBondContact O-N 3.01Å; L229-M232 PolarHBondContact O-N 3.44Å; L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.1Å
230E97.6Very high97.3Very high124 Ų12469.2 Ų69.258%0.57935%0.353SS*.Hα-helixtrans-66.3-33176.7-54.876.6-166.500112.4T228 K234T228-E230 WeakPolarHBondContact CB-OE2 3.2Å; T228-E230 PolarHBondContact O-N 2.92Å; T228-E230 PolarHBondContact OG1-N 2.86Å; T228-E230 PolarHBondContact OG1-OE2 3.46Å; E230-K234 WeakPolarHBondContact O-CD 3.32Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å
231Q97.6Very high97.2Very high104 Ų10479 Ų7949%0.48640%0.395SS..Hα-helixtrans-71.9-43.5173.6-68.3173.6-20.300110.8T228 L229 K234T228-Q231 VanDerWaalsContact N-OE1 3.14Å; T228-Q231 WeakPolarHBondContact O-CB 3.45Å; T228-Q231 PolarHBondContact O-N 3.3Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.36Å; L229-Q231 VanDerWaalsContact C-N 3.31Å; L229-Q231 PolarHBondContact O-N 3.01Å; Q231-K234 PolarHBondContact O-N 2.96Å
232M97.6Very high96.9Very high3 Ų379.4 Ų79.42%0.01542%0.417CS..Hα-helixtrans-61.1-47.4177.9-69.1179.6161.100111.4R176 D180 A183 Q187 T227 T228 L229 K234 L235 A248R176-M232 PolarHBondContact NH2-O 3.44Å; D180-M232 HydrophobicContact CB-CB 4.29Å; A183-M232 HydrophobicContact CB-CE 4.11Å; A183-M232 HydrophobicContact CB-SD 4.27Å; Q187-M232 HydrophobicContact CG-CE 4.44Å; T227-M232 HydrophobicContact CG2-CE 3.35Å; T227-M232 HydrophobicContact CG2-SD 4.49Å; T228-M232 WeakPolarHBondContact O-CG 3.3Å; T228-M232 PolarHBondContact O-N 3.28Å; L229-M232 PolarHBondContact O-N 3.44Å; M232-K234 PolarHBondContact O-N 3.42Å; M232-K234 VanDerWaalsContact O-N 3.1Å; M232-L235 WeakPolarHBondContact O-CB 3.44Å; M232-L235 PolarHBondContact O-N 2.89Å; M232-A248 HydrophobicContact CB-CB 4.38Å; M232-A248 HydrophobicContact CE-CB 4.24Å; M232-A248 HydrophobicContact CG-CB 3.88Å
233A96.9Very high96.9Very high64 Ų6479 Ų7953%0.52942%0.418SS..Hα-helixtrans-57.5-29.4-17900000113.5L229 L235L229-A233 WeakPolarHBondContact O-CB 3.43Å; L229-A233 PolarHBondContact O-N 3.1Å; A233-L235 VanDerWaalsContact C-N 3.3Å; A233-L235 PolarHBondContact O-N 3.34Å
234K97.6Very high96.9Very high175 Ų17578.8 Ų78.876%0.76142%0.417SS*.THydrogen-bonded Turntrans-76.1-14.2177.9-69.7171.2-172.21780113.8E230 Q231 M232E230-K234 WeakPolarHBondContact O-CD 3.32Å; E230-K234 WeakPolarHBondContact O-CG 3.34Å; Q231-K234 PolarHBondContact O-N 2.96Å; M232-K234 PolarHBondContact O-N 3.42Å; M232-K234 VanDerWaalsContact O-N 3.1Å
235L97.9Very high97Very high65 Ų6572 Ų7234%0.3439%0.392SS..SBendtrans-72.5136.1-178.2-65.2174.7000111.3R176 M232 A233 T246 A248R176-L235 PolarHBondContact NH1-O 2.83Å; R176-L235 VanDerWaalsContact NH1-O 3.14Å; R176-L235 PolarHBondContact NH2-O 3.07Å; M232-L235 WeakPolarHBondContact O-CB 3.44Å; M232-L235 PolarHBondContact O-N 2.89Å; A233-L235 VanDerWaalsContact C-N 3.3Å; A233-L235 PolarHBondContact O-N 3.34Å; L235-T246 HydrophobicContact CB-CG2 4.37Å; L235-A248 HydrophobicContact CD1-CB 3.32Å
236P97.9Very high97.1Very high100 Ų10070.6 Ų70.665%0.64938%0.382SS*.PPolyproline II helixtrans-70.2150.8176.730.8-35000110.8
237T97.8Very high97.2Very high40 Ų4067.5 Ų67.525%0.24538%0.381CS..BIsolated β-bridgetrans-66.8135168.252.40000110.1K240 G243 V245T237-K240 VanDerWaalsContact CB-O 3.25Å; T237-K240 WeakPolarHBondContact CB-O 3.34Å; T237-K240 PolarHBondContact OG1-O 3.19Å; T237-G243 WeakPolarHBondContact CG2-O 3.33Å; T237-V245 CarbonylContact C-O 3.57Å; T237-V245 VanDerWaalsContact CA-O 3.28Å; T237-V245 WeakPolarHBondContact CA-O 3.29Å
238V97.1Very high97.4Very high83 Ų8367.2 Ų67.250%0.50338%0.381SS..SBendtrans-89.5-43.6-172175.90000112.2V245V238-V245 PolarHBondContact N-O 3.07Å
239F95.9Very high97.4Very high67 Ų6764.9 Ų64.929%0.29437%0.367SS..SBendtrans-100.5-34.4-167.5-62.1-80.7000113.6P160 I163 V245 F323P160-F239 HydrophobicContact CB-CD1 4.15Å; P160-F239 HydrophobicContact CB-CE1 4.24Å; I163-F239 HydrophobicContact CD1-CB 3.67Å; I163-F239 WeakPolarHBondContact CD1-O 3.37Å; I163-F239 HydrophobicContact CG1-CB 4.11Å; F239-V245 HydrophobicContact CD2-CB 4.09Å; F239-V245 HydrophobicContact CD2-CG1 3.63Å; F239-V245 HydrophobicContact CE2-CG1 3.76Å; F239-F323 HydrophobicContact CE2-CE1 4.1Å
240K96.7Very high97.4Very high78 Ų7862.8 Ų62.834%0.33936%0.358SS..SBendtrans-136.3130.7-176.8-173.6174.2-176.2171.70110.6I163 E166 E170 T237 G242 G243I163-K240 HydrophobicContact CD1-CB 4.2Å; E166-K240 HydrophobicContact CB-CD 4.45Å; E166-K240 HydrophobicContact CG-CB 4.13Å; E170-K240 IonicContact OE1-NZ 3.54Å; E170-K240 PolarHBondContact OE1-NZ 3.04Å; E170-K240 IonicContact OE2-NZ 2.75Å; T237-K240 VanDerWaalsContact CB-O 3.25Å; T237-K240 WeakPolarHBondContact CB-O 3.34Å; T237-K240 PolarHBondContact OG1-O 3.19Å; K240-G242 PolarHBondContact O-N 3.42Å; K240-G243 PolarHBondContact O-N 3.17Å
241K96Very high97.5Very high209 Ų20958.1 Ų58.191%0.90934%0.338SS*.THydrogen-bonded Turntrans-61.8123.1174-177.6179.5179-178.80109.4G243K241-G243 PolarHBondContact O-N 3.44Å
242G93Very high97.5Very high76 Ų7653.9 Ų53.978%0.78432%0.323SS*.THydrogen-bonded Turntrans7313.8-17600000113.9K240K240-G242 PolarHBondContact O-N 3.42Å
243G97.8Very high97.5Very high11 Ų1155.7 Ų55.711%0.11333%0.334CS..  trans-75.3-162.7171.900000113.1E166 T237 K240 K241E166-G243 WeakPolarHBondContact OE1-CA 3.44Å; T237-G243 WeakPolarHBondContact CG2-O 3.33Å; K240-G243 PolarHBondContact O-N 3.17Å; K241-G243 PolarHBondContact O-N 3.44Å
244T98.6Very high97.6Very high13 Ų1352.7 Ų52.78%0.0831%0.309CS..SBendtrans-113.4-25.9-175.760.90000112.9E166 A169 R176 N249E166-T244 VanDerWaalsContact CD-N 3.25Å; E166-T244 PolarHBondContact OE1-N 3.2Å; E166-T244 PolarHBondContact OE2-N 2.86Å; E166-T244 PolarHBondContact OE2-OG1 3.37Å; A169-T244 HydrophobicContact CB-CG2 3.95Å; A169-T244 WeakPolarHBondContact CB-OG1 3.48Å; R176-T244 HydrophobicContact CB-CG2 4.43Å; R176-T244 WeakPolarHBondContact CD-O 3.18Å; T244-N249 PolarHBondContact O-ND2 3.4Å
245V98.7Very high97.7Very high0 Ų044.3 Ų44.30%027%0.273CS..  trans-84.1124.4-170.5-179.20000111.6A165 E166 T237 V238 F239 N249 A250 F323 P325A165-V245 HydrophobicContact CB-CG2 4.13Å; E166-V245 HydrophobicContact CG-CG2 4.05Å; E166-V245 WeakPolarHBondContact OE1-CB 3.45Å; E166-V245 PolarHBondContact OE1-N 3.49Å; T237-V245 CarbonylContact C-O 3.57Å; T237-V245 VanDerWaalsContact CA-O 3.28Å; T237-V245 WeakPolarHBondContact CA-O 3.29Å; V238-V245 PolarHBondContact N-O 3.07Å; F239-V245 HydrophobicContact CD2-CB 4.09Å; F239-V245 HydrophobicContact CD2-CG1 3.63Å; F239-V245 HydrophobicContact CE2-CG1 3.76Å; V245-N249 WeakPolarHBondContact CA-OD1 3.46Å; V245-A250 HydrophobicContact CG1-CB 4.18Å; V245-F323 HydrophobicContact CG1-CD1 3.66Å; V245-F323 HydrophobicContact CG1-CE1 3.99Å; V245-F323 HydrophobicContact CG2-CD1 4.43Å; V245-P325 HydrophobicContact CG2-CG 3.78Å
246T98.7Very high97.7Very high1 Ų141.2 Ų41.21%0.00626%0.256CS..BIsolated β-bridgetrans-126.2174.1175.772.10000111.6R176 L235 A248 N249 A250R176-T246 VanDerWaalsContact NH1-CG2 3.27Å; L235-T246 HydrophobicContact CB-CG2 4.37Å; T246-A248 PolarHBondContact O-N 2.98Å; T246-A248 PolarHBondContact OG1-N 3.08Å; T246-N249 PolarHBondContact N-OD1 2.89Å; T246-N249 PolarHBondContact O-N 3.25Å; T246-N249 PolarHBondContact O-OD1 2.99Å; T246-N249 PolarHBondContact OG1-N 2.75Å; T246-N249 PolarHBondContact OG1-ND2 2.97Å; T246-A250 WeakPolarHBondContact O-CB 3.3Å; T246-A250 PolarHBondContact O-N 2.9Å
247A97.9Very high97.8Very high76 Ų7636.5 Ų36.563%0.62823%0.225SC*.SBendtrans-66.7-15.4172.600000114.2
248A97.6Very high97.8Very high17 Ų1734.6 Ų34.614%0.1421%0.214CC..SBendtrans-91.6-23.9177.500000113.8A183 M232 L235 T246 I348A183-A248 WeakPolarHBondContact CB-O 3.44Å; M232-A248 HydrophobicContact CB-CB 4.38Å; M232-A248 HydrophobicContact CE-CB 4.24Å; M232-A248 HydrophobicContact CG-CB 3.88Å; L235-A248 HydrophobicContact CD1-CB 3.32Å; T246-A248 PolarHBondContact O-N 2.98Å; T246-A248 PolarHBondContact OG1-N 3.08Å; A248-I348 WeakPolarHBondContact O-CG2 3.23Å
249N98.6Very high97.9Very high0 Ų030.7 Ų30.70%019%0.191CC..SBendtrans-113.213.9-175.469.929.3000113.2C179 D180 A183 T244 V245 T246 A324C179-N249 HydrophobicContact CB-CB 4.27Å; D180-N249 PolarHBondContact OD1-ND2 2.73Å; A183-N249 HydrophobicContact CB-CB 3.7Å; T244-N249 PolarHBondContact O-ND2 3.4Å; V245-N249 WeakPolarHBondContact CA-OD1 3.46Å; T246-N249 PolarHBondContact N-OD1 2.89Å; T246-N249 PolarHBondContact O-N 3.25Å; T246-N249 PolarHBondContact O-OD1 2.99Å; T246-N249 PolarHBondContact OG1-N 2.75Å; T246-N249 PolarHBondContact OG1-ND2 2.97Å; N249-A324 HydrophobicContact CB-CB 3.91Å; N249-A324 WeakPolarHBondContact O-CB 3.22Å; N249-A324 PolarHBondContact O-N 3.41Å
250A98.6Very high98Very high13 Ų1327.5 Ų27.511%0.10718%0.177CC..BIsolated β-bridgetrans-115.1149.9168.600000109.6V245 T246 F323V245-A250 HydrophobicContact CG1-CB 4.18Å; T246-A250 WeakPolarHBondContact O-CB 3.3Å; T246-A250 PolarHBondContact O-N 2.9Å; A250-F323 HydrophobicContact CB-CD1 3.49Å; A250-F323 VanDerWaalsContact CB-CD1 3.49Å; A250-F323 HydrophobicContact CB-CE1 3.69Å
251S98.4Very high98.1Very high25 Ų2523.8 Ų23.818%0.17516%0.16CC..PPolyproline II helixtrans-65.8140.9172.261.10000111.8E321 A322 A347 H352S251-E321 WeakPolarHBondContact CB-O 3.43Å; S251-A322 PolarHBondContact N-O 2.96Å; S251-A322 PolarHBondContact OG-O 3.5Å; S251-A322 VanDerWaalsContact OG-O 3.12Å; S251-A347 WeakPolarHBondContact CA-O 3.36Å; S251-A347 WeakPolarHBondContact CB-O 3.47Å; S251-H352 VanDerWaalsContact OG-CB 3.29Å; S251-H352 WeakPolarHBondContact OG-CB 3.16Å
252G97.9Very high98.3Very high15 Ų1513.9 Ų13.916%0.15512%0.117CC..PPolyproline II helixtrans-70.3150.3173.800000113.7H352G252-H352 PolarHBondContact O-N 2.9Å
253V98.4Very high98.6Very high42 Ų4210.2 Ų10.226%0.2558%0.08SC..PPolyproline II helixtrans-63.8132.2159.6176.50000108.2Y20 M122 L148Y20-V253 WeakPolarHBondContact CB-O 3.29Å; Y20-V253 HydrophobicContact CD2-CB 4.41Å; Y20-V253 HydrophobicContact CD2-CG1 3.48Å; Y20-V253 VanDerWaalsContact CD2-CG1 3.48Å; Y20-V253 HydrophobicContact CE2-CG1 4.29Å; Y20-V253 HydrophobicContact CG-CB 4.31Å; Y20-V253 HydrophobicContact CG-CG1 3.86Å; Y20-V253 PolarHBondContact N-O 2.96Å; M122-V253 HydrophobicContact CB-CG1 3.47Å; M122-V253 VanDerWaalsContact CB-CG1 3.47Å; M122-V253 HydrophobicContact CE-CB 4.49Å; M122-V253 HydrophobicContact CE-CG1 3.95Å; M122-V253 HydrophobicContact CE-CG2 4.28Å; M122-V253 HydrophobicContact CG-CG1 4.25Å; M122-V253 HydrophobicContact SD-CG1 3.9Å; L148-V253 HydrophobicContact CD1-CG1 4.4Å; L148-V253 HydrophobicContact CD2-CG1 3.9Å
254S98.6Very high98.6Very high0 Ų09.7 Ų9.70%07%0.074CC..EExtended strand (participates in β ladder)trans-157.3163.6-16953.50000112.2G18 M122 H352 P353G18-S254 CarbonylContact O-C 3.46Å; G18-S254 WeakPolarHBondContact O-CA 3.42Å; G18-S254 WeakPolarHBondContact O-CB 3.42Å; M122-S254 WeakPolarHBondContact CG-O 3.2Å; M122-S254 VanDerWaalsContact SD-O 3.4Å; S254-H352 PolarHBondContact OG-N 3.13Å; S254-P353 WeakPolarHBondContact OG-CD 3.41Å
255D98.9Very high98.6Very high0 Ų012.9 Ų12.90%09%0.088CC..EExtended strand (participates in β ladder)trans-115.4141.9178.5-50.8-44.3000110.1F17 G18 L24 L32 E120 S121 M122 S123F17-D255 CarbonylContact C-O 3.48Å; F17-D255 WeakPolarHBondContact CA-O 3.05Å; G18-D255 PolarHBondContact N-O 3.01Å; G18-D255 PolarHBondContact O-N 3.28Å; L24-D255 HydrophobicContact CB-CB 4.08Å; L32-D255 HydrophobicContact CD1-CB 4.22Å; E120-D255 WeakPolarHBondContact O-CA 3.49Å; S121-D255 WeakPolarHBondContact CA-OD1 3.45Å; M122-D255 PolarHBondContact N-OD1 2.65Å; S123-D255 WeakPolarHBondContact CB-OD2 3.22Å; S123-D255 PolarHBondContact N-OD1 3.31Å; S123-D255 VanDerWaalsContact OG-CG 3.28Å; S123-D255 PolarHBondContact OG-OD1 2.83Å; S123-D255 PolarHBondContact OG-OD2 2.96Å
256G98.8Very high98.5Very high0 Ų016.6 Ų16.60%011%0.106CC..EExtended strand (participates in β ladder)trans169.5168.717700000114T15 E120 A356T15-G256 WeakPolarHBondContact OG1-CA 3.26Å; E120-G256 PolarHBondContact N-O 3.35Å; E120-G256 PolarHBondContact O-N 3.37Å; G256-A356 VanDerWaalsContact O-CB 3.25Å; G256-A356 WeakPolarHBondContact O-CB 3.34Å
257A98.9Very high98.5Very high0 Ų016.7 Ų16.70%011%0.106CC..EExtended strand (participates in β ladder)trans-140.9158.6176.400000112.4R14 T15 L32 A36 G118 S119R14-A257 CarbonylContact C-O 3.55Å; R14-A257 WeakPolarHBondContact CA-O 3.46Å; T15-A257 HydrophobicContact CG2-CB 4.08Å; T15-A257 PolarHBondContact N-O 3.13Å; T15-A257 PolarHBondContact OG1-N 2.94Å; T15-A257 PolarHBondContact OG1-O 2.87Å; L32-A257 HydrophobicContact CB-CB 3.76Å; L32-A257 VanDerWaalsContact O-CB 3.3Å; L32-A257 WeakPolarHBondContact O-CB 3.43Å; A36-A257 HydrophobicContact CB-CB 4.09Å; G118-A257 CarbonylContact O-C 3.44Å; G118-A257 VanDerWaalsContact O-CA 3.28Å; G118-A257 WeakPolarHBondContact O-CA 3.4Å; S119-A257 WeakPolarHBondContact OG-CB 3.41Å
258A98.9Very high98.4Very high1 Ų113.9 Ų13.91%0.0088%0.081CC..EExtended strand (participates in β ladder)trans-142.8144.7168.900000110.3K13 R14 G117 G118 A359 R360K13-A258 CarbonylContact O-C 3.56Å; K13-A258 WeakPolarHBondContact O-CA 3.37Å; R14-A258 HydrophobicContact CB-CB 3.63Å; G117-A258 CarbonylContact C-O 3.59Å; G117-A258 WeakPolarHBondContact CA-O 3.24Å; G118-A258 PolarHBondContact N-O 3.37Å; G118-A258 PolarHBondContact O-N 3.1Å; A258-A359 HydrophobicContact CB-CB 3.66Å; A258-R360 HydrophobicContact CB-CB 4.19Å; A258-R360 VanDerWaalsContact CB-N 3.34Å
259A98.9Very high98.4Very high1 Ų119.8 Ų19.81%0.00810%0.103CC..EExtended strand (participates in β ladder)trans-135.5142-179.600000110.7A12 K13 A36 A37 A40 L115 C116A12-A259 WeakPolarHBondContact CA-O 3.3Å; K13-A259 PolarHBondContact N-O 3.21Å; K13-A259 PolarHBondContact O-N 3.28Å; K13-A259 VanDerWaalsContact O-O 3.08Å; A36-A259 HydrophobicContact CB-CB 3.92Å; A37-A259 HydrophobicContact CB-CB 4.19Å; A40-A259 HydrophobicContact CB-CB 4.09Å; L115-A259 HydrophobicContact CD1-CB 4.38Å; C116-A259 CarbonylContact O-C 3.5Å; C116-A259 WeakPolarHBondContact O-CA 3.17Å
260L98.9Very high98.3Very high0 Ų026.7 Ų26.70%014%0.135CC..EExtended strand (participates in β ladder)trans-131.4145.8176.6-57.789.2000108.7I9 A11 A12 I99 C116 A359 T362I9-L260 HydrophobicContact CD1-CD2 4.09Å; I9-L260 HydrophobicContact CG1-CD2 4.5Å; I9-L260 HydrophobicContact CG2-CD2 4.09Å; A11-L260 CarbonylContact O-C 3.59Å; A11-L260 WeakPolarHBondContact O-CA 3.26Å; A11-L260 WeakPolarHBondContact O-CB 3.39Å; A12-L260 HydrophobicContact CB-CD2 3.86Å; A12-L260 HydrophobicContact CB-CG 3.89Å; I99-L260 HydrophobicContact CD1-CD1 4.01Å; I99-L260 HydrophobicContact CD1-CD2 4.25Å; I99-L260 HydrophobicContact CG1-CD1 4.37Å; C116-L260 PolarHBondContact N-O 3.18Å; C116-L260 PolarHBondContact O-N 3.24Å; L260-A359 HydrophobicContact CD1-CB 3.79Å; L260-T362 HydrophobicContact CD2-CG2 3.58Å
261V98.9Very high98.3Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-105.8126.2166.6-175.80000107.4V10 A11 A40 L41 V46 I51 V113 L115V10-V261 HydrophobicContact CG2-CB 3.71Å; V10-V261 HydrophobicContact CG2-CG1 3.62Å; V10-V261 WeakPolarHBondContact CG2-O 3.38Å; V10-V261 PolarHBondContact N-O 3.46Å; A11-V261 HydrophobicContact CB-CB 4.17Å; A11-V261 HydrophobicContact CB-CG2 4.17Å; A11-V261 PolarHBondContact N-O 3.21Å; A11-V261 PolarHBondContact O-N 3.36Å; A40-V261 HydrophobicContact CB-CG2 4.43Å; L41-V261 HydrophobicContact CD2-CG2 4.03Å; V46-V261 HydrophobicContact CG1-CG1 4.23Å; V46-V261 HydrophobicContact CG2-CB 4.45Å; V46-V261 HydrophobicContact CG2-CG1 4.1Å; I51-V261 HydrophobicContact CD1-CG1 4.05Å; V113-V261 HydrophobicContact CG1-CG1 3.51Å; L115-V261 HydrophobicContact CD1-CG2 4.2Å
262I98.9Very high98.3Very high0 Ų036.9 Ų36.90%018%0.175CC..EExtended strand (participates in β ladder)trans-112.5149.9173.265.5172.4000110.6V7 F8 I9 G102 I106 V113 V114 I279V7-I262 HydrophobicContact CG1-CB 4.28Å; V7-I262 HydrophobicContact CG1-CD1 4.15Å; F8-I262 CarbonylContact O-C 3.52Å; F8-I262 WeakPolarHBondContact O-CA 3.48Å; I9-I262 HydrophobicContact CG1-CG2 3.93Å; G102-I262 VanDerWaalsContact C-CD1 3.45Å; I106-I262 HydrophobicContact CD1-CB 4.46Å; I106-I262 HydrophobicContact CD1-CD1 3.91Å; I106-I262 HydrophobicContact CD1-CG1 3.83Å; V113-I262 WeakPolarHBondContact CA-O 3.4Å; V114-I262 HydrophobicContact CB-CD1 4.3Å; V114-I262 HydrophobicContact CB-CG1 3.85Å; V114-I262 PolarHBondContact N-O 3.45Å; V114-I262 PolarHBondContact O-N 2.93Å; I262-I279 HydrophobicContact CG2-CD1 4.33Å
263S98.8Very high98.3Very high0 Ų036.9 Ų36.90%017%0.172CC..EExtended strand (participates in β ladder)trans-144.2149.5-175.1-175.20000111.5F8 E112 A267F8-S263 PolarHBondContact N-O 3.04Å; F8-S263 PolarHBondContact O-N 2.93Å; E112-S263 CarbonylContact O-C 3.56Å; E112-S263 VanDerWaalsContact O-CA 3.29Å; E112-S263 WeakPolarHBondContact O-CA 3.4Å; E112-S263 PolarHBondContact O-OG 3.12Å; S263-A267 VanDerWaalsContact OG-CB 3.29Å; S263-A267 WeakPolarHBondContact OG-CB 3.41Å
264S98.7Very high98.3Very high0 Ų039.5 Ų39.50%019%0.187CC..EExtended strand (participates in β ladder)trans-68.2159.5168.273.40000111.6R5 E112 E266 A267 L268R5-S264 VanDerWaalsContact NH2-CB 3.27Å; R5-S264 PolarHBondContact NH2-OG 3.23Å; E112-S264 PolarHBondContact O-N 3.19Å; E112-S264 WeakPolarHBondContact OE2-CB 3.34Å; E112-S264 PolarHBondContact OE2-OG 3.39Å; S264-E266 PolarHBondContact O-N 3.05Å; S264-E266 PolarHBondContact OG-N 3.16Å; S264-A267 PolarHBondContact O-N 3.41Å; S264-A267 WeakPolarHBondContact OG-CB 3.47Å; S264-A267 PolarHBondContact OG-N 3.42Å; S264-L268 WeakPolarHBondContact O-CG 3.36Å; S264-L268 PolarHBondContact O-N 3.12Å
265E97.7Very high98.3Very high80 Ų8041.4 Ų41.437%0.37420%0.2SC..Hα-helixtrans-59.2-35.2173.7-161.3-175.1150.400112.9G6 F8 K269G6-E265 PolarHBondContact O-N 2.86Å; F8-E265 HydrophobicContact CE2-CB 3.82Å; F8-E265 HydrophobicContact CE2-CG 3.93Å; F8-E265 HydrophobicContact CZ-CG 4.42Å; E265-K269 PolarHBondContact O-N 2.79Å; E265-K269 WeakPolarHBondContact OE1-CE 3.2Å; E265-K269 IonicContact OE1-NZ 2.79Å; E265-K269 PolarHBondContact OE1-NZ 3.48Å
266E97.8Very high98.3Very high78 Ų7842.8 Ų42.836%0.36421%0.207SC..Hα-helixtrans-67.3-48179.1-64.190.1158.100111.5R5 R109 S264 L268 K269 E270R5-E266 IonicContact CZ-OE2 3.18Å; R5-E266 IonicContact NE-OE1 2.66Å; R5-E266 IonicContact NE-OE2 3.21Å; R5-E266 VanDerWaalsContact NH2-CD 3.29Å; R5-E266 IonicContact NH2-OE1 2.76Å; R5-E266 IonicContact NH2-OE2 2.85Å; R5-E266 PolarHBondContact NH2-OE2 3.37Å; R109-E266 IonicContact NH2-OE1 2.6Å; S264-E266 PolarHBondContact O-N 3.05Å; S264-E266 PolarHBondContact OG-N 3.16Å; E266-L268 VanDerWaalsContact C-N 3.32Å; E266-L268 PolarHBondContact O-N 3.46Å; E266-K269 PolarHBondContact O-N 2.81Å; E266-K269 VanDerWaalsContact O-N 3.12Å; E266-E270 PolarHBondContact O-N 3.18Å
267A98.1Very high98.3Very high2 Ų242.8 Ų42.82%0.01721%0.208CC..Hα-helixtrans-67-30.8178.200000112.9E112 V113 S263 S264 K269 H271E112-A267 HydrophobicContact CB-CB 4.07Å; V113-A267 HydrophobicContact CG2-CB 3.95Å; S263-A267 VanDerWaalsContact OG-CB 3.29Å; S263-A267 WeakPolarHBondContact OG-CB 3.41Å; S264-A267 PolarHBondContact O-N 3.41Å; S264-A267 WeakPolarHBondContact OG-CB 3.47Å; S264-A267 PolarHBondContact OG-N 3.42Å; A267-K269 VanDerWaalsContact C-N 3.3Å; A267-K269 PolarHBondContact O-N 3.08Å; A267-H271 WeakPolarHBondContact O-CB 3.37Å; A267-H271 PolarHBondContact O-CD2 3.42Å; A267-H271 PolarHBondContact O-N 3.29Å
268L96.6Very high98.2Very high17 Ų1745.9 Ų45.99%0.08922%0.219CC..Hα-helixtrans-55.3-47.5169.5-71.9-173.6000111.6F8 V10 S264 E266 K272 L273 P275F8-L268 HydrophobicContact CB-CD1 3.78Å; F8-L268 HydrophobicContact CB-CD2 4.34Å; F8-L268 HydrophobicContact CB-CG 4.37Å; F8-L268 HydrophobicContact CD1-CD1 4.01Å; F8-L268 HydrophobicContact CD2-CD1 3.46Å; F8-L268 VanDerWaalsContact CD2-CD1 3.46Å; F8-L268 HydrophobicContact CD2-CG 4.29Å; F8-L268 HydrophobicContact CE1-CD1 4.45Å; F8-L268 HydrophobicContact CE2-CD1 3.98Å; F8-L268 HydrophobicContact CG-CD1 3.48Å; F8-L268 VanDerWaalsContact CG-CD1 3.48Å; F8-L268 HydrophobicContact CG-CG 4.45Å; F8-L268 HydrophobicContact CZ-CD1 4.44Å; V10-L268 HydrophobicContact CG1-CD2 3.22Å; S264-L268 WeakPolarHBondContact O-CG 3.36Å; S264-L268 PolarHBondContact O-N 3.12Å; E266-L268 VanDerWaalsContact C-N 3.32Å; E266-L268 PolarHBondContact O-N 3.46Å; L268-K272 CarbonylContact O-C 3.55Å; L268-K272 WeakPolarHBondContact O-CA 2.96Å; L268-K272 PolarHBondContact O-N 2.96Å; L268-L273 HydrophobicContact CD2-CB 3.75Å; L268-L273 PolarHBondContact O-N 3.05Å; L268-P275 HydrophobicContact CD1-CB 3.94Å; L268-P275 HydrophobicContact CD1-CG 4.21Å; L268-P275 HydrophobicContact CD2-CB 4.49Å
269K96.3Very high98.2Very high141 Ų14145.9 Ų45.961%0.61322%0.219SC*.Hα-helixtrans-72.5-44.5-176.9-67.2171.3-171.7165.60111.2E265 E266 A267E265-K269 PolarHBondContact O-N 2.79Å; E265-K269 WeakPolarHBondContact OE1-CE 3.2Å; E265-K269 IonicContact OE1-NZ 2.79Å; E265-K269 PolarHBondContact OE1-NZ 3.48Å; E266-K269 PolarHBondContact O-N 2.81Å; E266-K269 VanDerWaalsContact O-N 3.12Å; A267-K269 VanDerWaalsContact C-N 3.3Å; A267-K269 PolarHBondContact O-N 3.08Å
270E98.1Very high98.2Very high145 Ų14546.4 Ų46.468%0.67822%0.222SC*.Hα-helixtrans-63.4-47.5-178.6-173.6176.5160.400112E266E266-E270 PolarHBondContact O-N 3.18Å
271H98.1Very high98.2Very high66 Ų6646.4 Ų46.431%0.30622%0.222SC..Hα-helixtrans-98.54.2-175.4-54.5-48.9000113.7L50 A267 L273L50-H271 HydrophobicContact CD1-CB 3.9Å; A267-H271 WeakPolarHBondContact O-CB 3.37Å; A267-H271 PolarHBondContact O-CD2 3.42Å; A267-H271 PolarHBondContact O-N 3.29Å; H271-L273 VanDerWaalsContact C-N 3.25Å; H271-L273 HydrophobicContact CB-CD1 4.43Å; H271-L273 HydrophobicContact CB-CD2 4.26Å; H271-L273 HydrophobicContact CB-CG 3.99Å; H271-L273 PolarHBondContact O-N 2.97Å
272K97.7Very high98.2Very high187 Ų18748.2 Ų48.281%0.81323%0.229SC*.THydrogen-bonded Turntrans54.939.3178.7-54178.8-176.7175.70113L268L268-K272 CarbonylContact O-C 3.55Å; L268-K272 WeakPolarHBondContact O-CA 2.96Å; L268-K272 PolarHBondContact O-N 2.96Å
273L97.8Very high98.2Very high15 Ų1550.1 Ų50.18%0.07924%0.238CC..  trans-75.1145.6178.4-55.8177.7000110.2V10 V46 L268 H271 P275V10-L273 HydrophobicContact CB-CB 4.38Å; V10-L273 HydrophobicContact CG1-CB 3.95Å; V10-L273 HydrophobicContact CG1-CD1 4.41Å; V10-L273 HydrophobicContact CG2-CD1 4.4Å; V46-L273 HydrophobicContact CG2-CD2 4.05Å; L268-L273 HydrophobicContact CD2-CB 3.75Å; L268-L273 PolarHBondContact O-N 3.05Å; H271-L273 VanDerWaalsContact C-N 3.25Å; H271-L273 HydrophobicContact CB-CD1 4.43Å; H271-L273 HydrophobicContact CB-CD2 4.26Å; H271-L273 HydrophobicContact CB-CG 3.99Å; H271-L273 PolarHBondContact O-N 2.97Å; L273-P275 WeakPolarHBondContact O-CD 3.46Å
274T98.2Very high98.2Very high96 Ų9652.1 Ų52.159%0.58925%0.25SS*.  trans-91.2114.2179.2-60.20000110.2V10V10-T274 WeakPolarHBondContact CA-O 3.43Å
275P98.4Very high98.2Very high41 Ų4153.4 Ų53.427%0.26626%0.259SS..  trans-73.8136.2176.131.1-34.5000111.1F8 L268 L273 C396F8-P275 HydrophobicContact CB-CB 4.21Å; F8-P275 HydrophobicContact CD1-CB 3.92Å; F8-P275 HydrophobicContact CG-CB 4.36Å; L268-P275 HydrophobicContact CD1-CB 3.94Å; L268-P275 HydrophobicContact CD1-CG 4.21Å; L268-P275 HydrophobicContact CD2-CB 4.49Å; L273-P275 WeakPolarHBondContact O-CD 3.46Å; P275-C396 HydrophobicContact CB-CB 3.95Å; P275-C396 HydrophobicContact CG-CB 4.1Å
276L98.7Very high98.2Very high28 Ų2852 Ų5215%0.14727%0.266CS..  trans-98.2-42.2175.6-56.5179.9000111.5I9 V366 R370 C396I9-L276 WeakPolarHBondContact O-CB 3.44Å; I9-L276 PolarHBondContact O-N 3.5Å; L276-V366 HydrophobicContact CB-CG1 3.49Å; L276-V366 VanDerWaalsContact CB-CG1 3.49Å; L276-V366 HydrophobicContact CD1-CG1 3.99Å; L276-V366 HydrophobicContact CG-CG1 4.39Å; L276-R370 PolarHBondContact O-NH1 2.97Å; L276-C396 PolarHBondContact O-N 3.19Å
277A98.8Very high98.3Very high1 Ų149.9 Ų49.91%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-154155.617800000110.8F8 I9 V366 E394F8-A277 CarbonylContact C-O 3.54Å; F8-A277 WeakPolarHBondContact CA-O 3.43Å; I9-A277 PolarHBondContact N-O 3.06Å; I9-A277 PolarHBondContact O-N 3.32Å; A277-V366 HydrophobicContact CB-CG1 4.34Å; A277-V366 HydrophobicContact CB-CG2 3.95Å; A277-E394 CarbonylContact C-O 3.58Å; A277-E394 WeakPolarHBondContact CA-O 3.35Å; A277-E394 WeakPolarHBondContact CB-O 3.31Å
278R98.8Very high98.3Very high64 Ų6453.8 Ų53.824%0.24228%0.28CS..EExtended strand (participates in β ladder)trans-103.2136.8174.3-172.2178.966.980.2-6.6109.9F8 V280 L393 E394 C396F8-R278 HydrophobicContact CD1-CB 3.83Å; F8-R278 HydrophobicContact CD1-CG 4Å; F8-R278 HydrophobicContact CE1-CB 3.79Å; F8-R278 HydrophobicContact CE1-CG 3.71Å; F8-R278 HydrophobicContact CZ-CG 4.09Å; R278-V280 PolarHBondContact O-N 3.39Å; R278-L393 CarbonylContact O-C 3.58Å; R278-L393 WeakPolarHBondContact O-CA 3.4Å; R278-E394 HydrophobicContact CB-CB 4.47Å; R278-E394 IonicContact CZ-OE2 3.61Å; R278-E394 PolarHBondContact N-O 2.66Å; R278-E394 IonicContact NE-OE2 2.77Å; R278-E394 PolarHBondContact NE-OE2 2.77Å; R278-E394 IonicContact NH2-OE2 3.72Å; R278-E394 PolarHBondContact NH2-OE2 3.42Å; R278-E394 PolarHBondContact O-N 3.25Å; R278-C396 PolarHBondContact N-SG 3.08Å; R278-C396 VanDerWaalsContact N-SG 3.44Å
279I98.8Very high98.4Very high2 Ų254.5 Ų54.51%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-78.7114.4170.5-57.2179.3000108L3 V7 I9 I99 I262 Y282 I391 L393L3-I279 HydrophobicContact CD2-CG2 4.26Å; V7-I279 HydrophobicContact CB-CB 4.46Å; V7-I279 HydrophobicContact CG1-CD1 3.92Å; V7-I279 HydrophobicContact CG1-CG1 4.49Å; V7-I279 PolarHBondContact O-N 3.02Å; I9-I279 HydrophobicContact CD1-CG1 4.41Å; I9-I279 HydrophobicContact CG1-CD1 4.46Å; I9-I279 HydrophobicContact CG1-CG1 4.31Å; I99-I279 HydrophobicContact CG2-CD1 3.5Å; I99-I279 VanDerWaalsContact CG2-CD1 3.5Å; I262-I279 HydrophobicContact CG2-CD1 4.33Å; I279-Y282 HydrophobicContact CG2-CD1 4.08Å; I279-I391 HydrophobicContact CG2-CG2 4.08Å; I279-L393 HydrophobicContact CG1-CD2 4.16Å
280V98.6Very high98.5Very high12 Ų1249.5 Ų49.57%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-88.9-46.2-173.8-1740000111.4A2 L3 R278 A307 Y376 V392 E394A2-V280 WeakPolarHBondContact CB-O 3.18Å; L3-V280 VanDerWaalsContact CD1-O 3.31Å; L3-V280 WeakPolarHBondContact CD1-O 3.35Å; R278-V280 PolarHBondContact O-N 3.39Å; V280-A307 HydrophobicContact CG1-CB 3.77Å; V280-Y376 HydrophobicContact CG2-CE1 4.41Å; V280-V392 HydrophobicContact CB-CB 4.29Å; V280-V392 HydrophobicContact CB-CG1 4.07Å; V280-V392 HydrophobicContact CG2-CG1 4.38Å; V280-V392 PolarHBondContact N-O 2.89Å; V280-E394 HydrophobicContact CG2-CB 3.51Å
281S98.8Very high98.5Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-163.6168-179.966.80000109.8A303 V392S281-A303 WeakPolarHBondContact CB-O 3.09Å; S281-A303 PolarHBondContact OG-O 2.95Å; S281-V392 PolarHBondContact O-N 2.51Å; S281-V392 WeakPolarHBondContact OG-CB 3.49Å; S281-V392 WeakPolarHBondContact OG-CG2 3.29Å
282Y98.8Very high98.5Very high37 Ų3740.6 Ų40.615%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-154.9161172.749.6-97.6000110.3L3 I100 A103 H104 I279 K306 A390L3-Y282 HydrophobicContact CD1-CD1 4.18Å; L3-Y282 HydrophobicContact CD1-CE1 3.78Å; L3-Y282 HydrophobicContact CD2-CE1 4.07Å; L3-Y282 HydrophobicContact CG-CE1 3.96Å; I100-Y282 HydrophobicContact CB-CD2 4.44Å; I100-Y282 HydrophobicContact CD1-CD2 3.85Å; I100-Y282 HydrophobicContact CD1-CG 3.97Å; I100-Y282 HydrophobicContact CG1-CD1 4.36Å; I100-Y282 HydrophobicContact CG1-CD2 3.94Å; I100-Y282 HydrophobicContact CG1-CG 3.82Å; I100-Y282 HydrophobicContact CG2-CD2 3.73Å; I100-Y282 HydrophobicContact CG2-CE2 3.62Å; I100-Y282 HydrophobicContact CG2-CG 4.36Å; A103-Y282 HydrophobicContact CB-CE1 4.17Å; H104-Y282 AromaticContact CD2-CZ 3.79Å; H104-Y282 PolarHBondContact CD2-OH 3.48Å; H104-Y282 AromaticContact NE2-CE2 3.42Å; H104-Y282 WeakPolarHBondContact NE2-CE2 3.44Å; H104-Y282 AromaticContact NE2-CZ 3.58Å; H104-Y282 PolarHBondContact NE2-OH 2.91Å; H104-Y282 VanDerWaalsContact NE2-OH 3.1Å; I279-Y282 HydrophobicContact CG2-CD1 4.08Å; Y282-K306 PolarHBondContact O-NZ 3.48Å; Y282-A390 CarbonylContact C-O 3.57Å; Y282-A390 WeakPolarHBondContact CA-O 3.29Å; Y282-A390 VanDerWaalsContact CB-O 3.26Å; Y282-A390 WeakPolarHBondContact CB-O 3.14Å
283H98.8Very high98.6Very high40 Ų4031.7 Ų31.719%0.18519%0.189CC..EExtended strand (participates in β ladder)trans-151.5149173.7-163.179.4000111.7A299 E302 A303 K306 I389 A390H283-A299 WeakPolarHBondContact CB-O 3.13Å; H283-E302 HydrophobicContact CB-CB 4.15Å; H283-A303 HydrophobicContact CB-CB 3.91Å; H283-K306 PolarHBondContact ND1-NZ 2.94Å; H283-I389 WeakPolarHBondContact O-CA 3.06Å; H283-A390 PolarHBondContact N-O 3.5Å; H283-A390 PolarHBondContact O-N 3.38Å
284V98.9Very high98.6Very high43 Ų4331.8 Ų31.826%0.26119%0.189SC..EExtended strand (participates in β ladder)trans-125.4131.5170.6-174.90000107.1I100 G388 I389I100-V284 HydrophobicContact CD1-CG2 4.09Å; V284-G388 CarbonylContact C-O 3.56Å; V284-G388 VanDerWaalsContact CA-O 3.31Å; V284-G388 WeakPolarHBondContact CA-O 3.38Å; V284-G388 WeakPolarHBondContact CG1-O 3.35Å; V284-I389 HydrophobicContact CG2-CB 4.39Å; V284-I389 HydrophobicContact CG2-CD1 3.83Å; V284-I389 HydrophobicContact CG2-CG1 3.9Å
285S98.7Very high98.7Very high26 Ų2627.2 Ų27.218%0.18216%0.161CC..EExtended strand (participates in β ladder)trans-128.5146.2178.6-174.40000110.7Q387 G388S285-Q387 CarbonylContact O-C 3.6Å; S285-Q387 WeakPolarHBondContact O-CA 3.4Å; S285-Q387 WeakPolarHBondContact O-CB 3.49Å; S285-G388 PolarHBondContact N-O 2.95Å; S285-G388 PolarHBondContact O-N 2.81Å
286G98.6Very high98.7Very high50 Ų5025.2 Ų25.252%0.51515%0.148SC..EExtended strand (participates in β ladder)trans-76.8161.1159.700000111.3G386G286-G386 CarbonylContact C-O 3.56Å; G286-G386 WeakPolarHBondContact CA-O 3.49Å
287C98.6Very high98.7Very high34 Ų3425.2 Ų25.223%0.2315%0.149CC..  trans-153176.316862.30000109.2P289 I294 G386C287-P289 WeakPolarHBondContact O-CD 3.18Å; C287-I294 HydrophobicContact CB-CG2 4.22Å; C287-G386 PolarHBondContact N-O 3.5Å; C287-G386 WeakPolarHBondContact O-CA 3.43Å; C287-G386 VanDerWaalsContact O-O 3.05Å
288D98.4Very high98.7Very high85 Ų8527 Ų2746%0.45516%0.161SC..  trans-61.5123175.8-179.8-19.3000110.5S290 I291 M292D288-S290 PolarHBondContact O-N 2.89Å; D288-S290 WeakPolarHBondContact OD1-CB 3.18Å; D288-S290 PolarHBondContact OD1-N 2.86Å; D288-S290 PolarHBondContact OD1-OG 3.37Å; D288-S290 PolarHBondContact OD2-OG 2.97Å; D288-I291 HydrophobicContact CB-CD1 4.26Å; D288-I291 HydrophobicContact CB-CG1 3.78Å; D288-I291 CarbonylContact O-C 3.57Å; D288-I291 PolarHBondContact O-N 2.89Å; D288-I291 VanDerWaalsContact O-N 3.09Å; D288-M292 PolarHBondContact O-N 2.9Å
289P98.5Very high98.7Very high31 Ų3124 Ų2420%0.20115%0.15CC..G310 helixtrans-57.1-29.4179.6-24.333.8000114.1I157 C287 I291 M292I157-P289 HydrophobicContact CD1-CB 3.99Å; I157-P289 HydrophobicContact CG1-CB 4.44Å; I157-P289 HydrophobicContact CG2-CB 4.07Å; C287-P289 WeakPolarHBondContact O-CD 3.18Å; P289-I291 PolarHBondContact O-N 2.79Å; P289-M292 PolarHBondContact O-N 2.99Å
290S98.3Very high98.7Very high36 Ų3623.9 Ų23.925%0.25215%0.149SC..G310 helixtrans-67.9-17.1-179.871.90000113.7T164 N167 D288T164-S290 WeakPolarHBondContact CA-O 3.47Å; T164-S290 WeakPolarHBondContact CB-O 3.41Å; N167-S290 PolarHBondContact ND2-O 2.82Å; D288-S290 PolarHBondContact O-N 2.89Å; D288-S290 WeakPolarHBondContact OD1-CB 3.18Å; D288-S290 PolarHBondContact OD1-N 2.86Å; D288-S290 PolarHBondContact OD1-OG 3.37Å; D288-S290 PolarHBondContact OD2-OG 2.97Å
291I98.5Very high98.7Very high20 Ų2026.3 Ų26.310%0.10316%0.164CC..G310 helixtrans-13435.6177.654.6167.9000110.6N167 L168 D288 P289 G293 I294N167-I291 HydrophobicContact CB-CG2 3.91Å; L168-I291 HydrophobicContact CD2-CB 3.91Å; L168-I291 HydrophobicContact CD2-CG2 4.13Å; L168-I291 HydrophobicContact CG-CB 4.06Å; L168-I291 HydrophobicContact CG-CG2 4.18Å; D288-I291 HydrophobicContact CB-CD1 4.26Å; D288-I291 HydrophobicContact CB-CG1 3.78Å; D288-I291 CarbonylContact O-C 3.57Å; D288-I291 PolarHBondContact O-N 2.89Å; D288-I291 VanDerWaalsContact O-N 3.09Å; P289-I291 PolarHBondContact O-N 2.79Å; I291-G293 PolarHBondContact O-N 2.85Å; I291-I294 HydrophobicContact CD1-CG2 4.18Å; I291-I294 HydrophobicContact CG1-CG2 4.34Å; I291-I294 WeakPolarHBondContact O-CG2 3.37Å; I291-I294 PolarHBondContact O-N 2.79Å
292M98.5Very high98.7Very high4 Ų429.3 Ų29.32%0.0218%0.178CC..G310 helixtrans-47.4-29.6-175.170.584-169.300114.1M161 T164 D288 P289 I294 G295 C382M161-M292 HydrophobicContact CB-CE 4.25Å; M161-M292 HydrophobicContact CG-CE 4.45Å; M161-M292 HydrophobicContact SD-CE 3.78Å; M161-M292 HydrophobicContact SD-CG 4.18Å; M161-M292 HydrophobicContact SD-SD 4.33Å; T164-M292 HydrophobicContact CG2-CG 4.3Å; T164-M292 WeakPolarHBondContact OG1-CE 3.42Å; D288-M292 PolarHBondContact O-N 2.9Å; P289-M292 PolarHBondContact O-N 2.99Å; M292-I294 PolarHBondContact O-N 2.68Å; M292-G295 PolarHBondContact O-N 2.81Å; M292-C382 HydrophobicContact SD-CB 4.09Å
293G98.6Very high98.7Very high0 Ų027.5 Ų27.50%017%0.171CC..G310 helixtrans-54.7-22.5176.500000115.1I291 G295 P296 Q326 V330I291-G293 PolarHBondContact O-N 2.85Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G293-P296 VanDerWaalsContact O-CD 3.27Å; G293-P296 WeakPolarHBondContact O-CD 3.47Å; G293-Q326 WeakPolarHBondContact O-CG 3.37Å; G293-Q326 PolarHBondContact O-NE2 3.48Å; G293-V330 WeakPolarHBondContact O-CG2 3.25Å
294I98.8Very high98.7Very high17 Ų1725.8 Ų25.89%0.08716%0.163CC..G310 helixtrans-81.9-9.8179.3-152.561.2000113.6L168 Y172 C287 I291 M292 P296 V297 P298 V330 A333L168-I294 HydrophobicContact CD2-CB 4.1Å; L168-I294 HydrophobicContact CD2-CD1 4.27Å; Y172-I294 HydrophobicContact CE2-CD1 3.91Å; Y172-I294 WeakPolarHBondContact OH-CD1 3.43Å; C287-I294 HydrophobicContact CB-CG2 4.22Å; I291-I294 HydrophobicContact CD1-CG2 4.18Å; I291-I294 HydrophobicContact CG1-CG2 4.34Å; I291-I294 WeakPolarHBondContact O-CG2 3.37Å; I291-I294 PolarHBondContact O-N 2.79Å; M292-I294 PolarHBondContact O-N 2.68Å; I294-P296 WeakPolarHBondContact O-CD 3.43Å; I294-V297 HydrophobicContact CD1-CG2 3.57Å; I294-V297 HydrophobicContact CG1-CB 4.29Å; I294-V297 HydrophobicContact CG1-CG2 3.81Å; I294-V297 WeakPolarHBondContact O-CB 3.4Å; I294-V297 PolarHBondContact O-N 2.76Å; I294-P298 WeakPolarHBondContact O-CD 3.32Å; I294-V330 HydrophobicContact CD1-CG2 4.33Å; I294-A333 HydrophobicContact CD1-CB 4.45Å
295G98.9Very high98.7Very high0 Ų030.3 Ų30.30%018%0.179CC..THydrogen-bonded Turntrans-46-35.4-178.800000116.1M292 G293 V297 P298 A299M292-G295 PolarHBondContact O-N 2.81Å; G293-G295 VanDerWaalsContact C-N 3.32Å; G295-V297 PolarHBondContact O-N 3.05Å; G295-P298 WeakPolarHBondContact O-CD 3.34Å; G295-P298 WeakPolarHBondContact O-CG 3.47Å; G295-A299 WeakPolarHBondContact O-CB 3.28Å; G295-A299 PolarHBondContact O-N 2.88Å
296P98.9Very high98.6Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-58-29.7174.6-29.838.9000114.5G293 I294 A299 I300 V319 V330 C382G293-P296 VanDerWaalsContact O-CD 3.27Å; G293-P296 WeakPolarHBondContact O-CD 3.47Å; I294-P296 WeakPolarHBondContact O-CD 3.43Å; P296-A299 PolarHBondContact O-N 2.67Å; P296-I300 HydrophobicContact CB-CD1 4.16Å; P296-I300 VanDerWaalsContact O-CB 3.28Å; P296-I300 WeakPolarHBondContact O-CB 3.45Å; P296-I300 VanDerWaalsContact O-CG1 3.29Å; P296-I300 WeakPolarHBondContact O-CG1 3.28Å; P296-I300 PolarHBondContact O-N 3.28Å; P296-V319 HydrophobicContact CB-CG1 4.25Å; P296-V319 HydrophobicContact CG-CG1 4.1Å; P296-V330 HydrophobicContact CB-CG1 3.87Å; P296-V330 HydrophobicContact CB-CG2 4.06Å; P296-V330 HydrophobicContact CG-CG2 4.06Å; P296-C382 HydrophobicContact CG-CB 4.1Å
297V98.9Very high98.6Very high27 Ų2732.9 Ų32.916%0.16418%0.178CC..Hα-helixtrans-60.2-59.8-178.3177.80000111.7I294 G295 A299 T301 V330 A333 L334I294-V297 HydrophobicContact CD1-CG2 3.57Å; I294-V297 HydrophobicContact CG1-CB 4.29Å; I294-V297 HydrophobicContact CG1-CG2 3.81Å; I294-V297 WeakPolarHBondContact O-CB 3.4Å; I294-V297 PolarHBondContact O-N 2.76Å; G295-V297 PolarHBondContact O-N 3.05Å; V297-A299 VanDerWaalsContact C-N 3.31Å; V297-A299 PolarHBondContact O-N 2.85Å; V297-T301 VanDerWaalsContact O-CB 3.3Å; V297-T301 WeakPolarHBondContact O-CB 3.37Å; V297-T301 PolarHBondContact O-N 2.84Å; V297-T301 VanDerWaalsContact O-N 3.09Å; V297-T301 PolarHBondContact O-OG1 2.93Å; V297-V330 HydrophobicContact CG2-CB 4.34Å; V297-V330 HydrophobicContact CG2-CG1 4.12Å; V297-V330 HydrophobicContact CG2-CG2 4.21Å; V297-A333 HydrophobicContact CG1-CB 4.33Å; V297-A333 HydrophobicContact CG2-CB 3.76Å; V297-L334 HydrophobicContact CG1-CD2 3.99Å; V297-L334 HydrophobicContact CG1-CG 4.33Å; V297-L334 HydrophobicContact CG2-CG 4.24Å
298P98.8Very high98.5Very high40 Ų4034.6 Ų34.626%0.2620%0.202SC..Hα-helixtrans-65.6-34176.225.9-35.1000112.4I294 G295 E302I294-P298 WeakPolarHBondContact O-CD 3.32Å; G295-P298 WeakPolarHBondContact O-CD 3.34Å; G295-P298 WeakPolarHBondContact O-CG 3.47Å; P298-E302 WeakPolarHBondContact O-CB 3.15Å; P298-E302 PolarHBondContact O-N 2.87Å
299A98.9Very high98.5Very high0 Ų032.2 Ų32.20%019%0.188CC..Hα-helixtrans-64.6-50-179.900000112.8H283 G295 P296 V297 A303 A390H283-A299 WeakPolarHBondContact CB-O 3.13Å; G295-A299 WeakPolarHBondContact O-CB 3.28Å; G295-A299 PolarHBondContact O-N 2.88Å; P296-A299 PolarHBondContact O-N 2.67Å; V297-A299 VanDerWaalsContact C-N 3.31Å; V297-A299 PolarHBondContact O-N 2.85Å; A299-A303 VanDerWaalsContact O-CB 3.23Å; A299-A303 WeakPolarHBondContact O-CB 3.25Å; A299-A303 PolarHBondContact O-N 3.11Å; A299-A390 HydrophobicContact CB-CB 4Å
300I98.9Very high98.5Very high0 Ų033 Ų330%020%0.195CC..Hα-helixtrans-63.1-47.6176.7-71164.5000110P296 E302 A303 L304 V311 V319 L334 V378 S380 A390P296-I300 HydrophobicContact CB-CD1 4.16Å; P296-I300 VanDerWaalsContact O-CB 3.28Å; P296-I300 WeakPolarHBondContact O-CB 3.45Å; P296-I300 VanDerWaalsContact O-CG1 3.29Å; P296-I300 WeakPolarHBondContact O-CG1 3.28Å; P296-I300 PolarHBondContact O-N 3.28Å; I300-E302 PolarHBondContact O-N 2.9Å; I300-A303 PolarHBondContact O-N 3.1Å; I300-L304 HydrophobicContact CG2-CD1 3.5Å; I300-L304 VanDerWaalsContact CG2-CD1 3.5Å; I300-L304 HydrophobicContact CG2-CG 4.11Å; I300-L304 WeakPolarHBondContact O-CB 3.07Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 2.85Å; I300-V311 HydrophobicContact CG2-CG2 4.41Å; I300-V319 HydrophobicContact CD1-CG2 4.11Å; I300-L334 HydrophobicContact CB-CD1 4.08Å; I300-L334 HydrophobicContact CD1-CD1 3.6Å; I300-L334 HydrophobicContact CG1-CD1 4.45Å; I300-L334 HydrophobicContact CG2-CD1 4.1Å; I300-V378 HydrophobicContact CG1-CG2 4.1Å; I300-V378 HydrophobicContact CG2-CG2 4.44Å; I300-S380 WeakPolarHBondContact CD1-OG 3.34Å; I300-A390 HydrophobicContact CG1-CB 3.92Å
301T98.8Very high98.5Very high63 Ų6333 Ų3339%0.38719%0.194SC..Hα-helixtrans-55.8-50.3-177.4-58.80000111.4V297 K305V297-T301 VanDerWaalsContact O-CB 3.3Å; V297-T301 WeakPolarHBondContact O-CB 3.37Å; V297-T301 PolarHBondContact O-N 2.84Å; V297-T301 VanDerWaalsContact O-N 3.09Å; V297-T301 PolarHBondContact O-OG1 2.93Å; T301-K305 VanDerWaalsContact O-CB 3.3Å; T301-K305 WeakPolarHBondContact O-CB 3.3Å; T301-K305 PolarHBondContact O-N 3.19Å
302E98.6Very high98.4Very high62 Ų6241 Ų4129%0.2923%0.227SC..Hα-helixtrans-75-32.8-178.5-71.9-61.7132.700112.8H283 P298 I300 K305 K306H283-E302 HydrophobicContact CB-CB 4.15Å; P298-E302 WeakPolarHBondContact O-CB 3.15Å; P298-E302 PolarHBondContact O-N 2.87Å; I300-E302 PolarHBondContact O-N 2.9Å; E302-K305 IonicContact OE1-NZ 3.32Å; E302-K305 PolarHBondContact OE1-NZ 3.39Å; E302-K305 IonicContact OE2-NZ 3.59Å; E302-K306 VanDerWaalsContact O-CG 3.29Å; E302-K306 WeakPolarHBondContact O-CG 3.32Å; E302-K306 PolarHBondContact O-N 2.9Å
303A98.7Very high98.4Very high0 Ų044.3 Ų44.30%025%0.245CC..Hα-helixtrans-62.8-46173.400000111.3S281 H283 A299 I300 K306 A307 A390 V392S281-A303 WeakPolarHBondContact CB-O 3.09Å; S281-A303 PolarHBondContact OG-O 2.95Å; H283-A303 HydrophobicContact CB-CB 3.91Å; A299-A303 VanDerWaalsContact O-CB 3.23Å; A299-A303 WeakPolarHBondContact O-CB 3.25Å; A299-A303 PolarHBondContact O-N 3.11Å; I300-A303 PolarHBondContact O-N 3.1Å; A303-K306 PolarHBondContact O-N 2.96Å; A303-A307 PolarHBondContact O-N 2.94Å; A303-A390 HydrophobicContact CB-CB 4.11Å; A303-V392 HydrophobicContact CB-CG2 3.97Å
304L98.6Very high98.4Very high4 Ų444.3 Ų44.32%0.02125%0.245CC..Hα-helixtrans-65.9-43.6177.5-68.8174.5000111.7I300 K306 A307 G308 L309 V311 M314 V392I300-L304 HydrophobicContact CG2-CD1 3.5Å; I300-L304 VanDerWaalsContact CG2-CD1 3.5Å; I300-L304 HydrophobicContact CG2-CG 4.11Å; I300-L304 WeakPolarHBondContact O-CB 3.07Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.44Å; I300-L304 PolarHBondContact O-N 2.85Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.01Å; L304-A307 CarbonylContact O-C 3.44Å; L304-A307 WeakPolarHBondContact O-CA 3.34Å; L304-A307 WeakPolarHBondContact O-CB 3.29Å; L304-A307 PolarHBondContact O-N 3.47Å; L304-G308 PolarHBondContact O-N 2.95Å; L304-L309 CarbonylContact C-O 3.4Å; L304-L309 WeakPolarHBondContact CB-O 3.18Å; L304-L309 HydrophobicContact CD2-CB 4.07Å; L304-L309 PolarHBondContact O-N 2.92Å; L304-V311 HydrophobicContact CD1-CB 4.44Å; L304-V311 HydrophobicContact CD1-CG2 3.66Å; L304-M314 HydrophobicContact CD2-CE 3.63Å; L304-M314 HydrophobicContact CD2-CG 4.25Å; L304-M314 HydrophobicContact CD2-SD 3.7Å; L304-V392 HydrophobicContact CD2-CG1 4.41Å; L304-V392 HydrophobicContact CD2-CG2 3.86Å; L304-V392 HydrophobicContact CG-CG2 4.44Å
305K98.3Very high98.5Very high137 Ų13746.3 Ų46.360%0.59626%0.256SS*.Hα-helixtrans-56.3-44.8174.9-177.1-173.1-178-171.70112.4T301 E302 A307 G308T301-K305 VanDerWaalsContact O-CB 3.3Å; T301-K305 WeakPolarHBondContact O-CB 3.3Å; T301-K305 PolarHBondContact O-N 3.19Å; E302-K305 IonicContact OE1-NZ 3.32Å; E302-K305 PolarHBondContact OE1-NZ 3.39Å; E302-K305 IonicContact OE2-NZ 3.59Å; K305-A307 PolarHBondContact O-N 3.09Å; K305-G308 PolarHBondContact O-N 3.48Å
306K97.9Very high98.5Very high103 Ų10346.5 Ų46.545%0.44826%0.257SS..Hα-helixtrans-60.8-31.9174.8-75176.4179.3-171.70113A2 Y282 H283 E302 A303 L304 G308A2-K306 HydrophobicContact CB-CB 4.06Å; Y282-K306 PolarHBondContact O-NZ 3.48Å; H283-K306 PolarHBondContact ND1-NZ 2.94Å; E302-K306 VanDerWaalsContact O-CG 3.29Å; E302-K306 WeakPolarHBondContact O-CG 3.32Å; E302-K306 PolarHBondContact O-N 2.9Å; A303-K306 PolarHBondContact O-N 2.96Å; L304-K306 VanDerWaalsContact C-N 3.33Å; L304-K306 PolarHBondContact O-N 3.01Å; K306-G308 VanDerWaalsContact C-N 3.33Å
307A97.6Very high98.5Very high28 Ų2846.8 Ų46.823%0.23126%0.259CS..Hα-helixtrans-82.3-8.9176.200000113.5V280 A303 L304 K305 L309V280-A307 HydrophobicContact CG1-CB 3.77Å; A303-A307 PolarHBondContact O-N 2.94Å; L304-A307 CarbonylContact O-C 3.44Å; L304-A307 WeakPolarHBondContact O-CA 3.34Å; L304-A307 WeakPolarHBondContact O-CB 3.29Å; L304-A307 PolarHBondContact O-N 3.47Å; K305-A307 PolarHBondContact O-N 3.09Å; A307-L309 VanDerWaalsContact C-N 3.27Å; A307-L309 HydrophobicContact CB-CB 4.26Å; A307-L309 HydrophobicContact CB-CD1 3.77Å; A307-L309 HydrophobicContact CB-CG 3.87Å
308G97.8Very high98.5Very high70 Ų7045.7 Ų45.772%0.72225%0.252SS*.THydrogen-bonded Turntrans67.829-170.200000112.8L304 K305 K306L304-G308 PolarHBondContact O-N 2.95Å; K305-G308 PolarHBondContact O-N 3.48Å; K306-G308 VanDerWaalsContact C-N 3.33Å
309L98.3Very high98.5Very high34 Ų3443.8 Ų43.818%0.17824%0.239CC..  trans-116.5167.4-177.6-62.5174.6000110.7L304 A307 D313 M314 Y376 V392L304-L309 CarbonylContact C-O 3.4Å; L304-L309 WeakPolarHBondContact CB-O 3.18Å; L304-L309 HydrophobicContact CD2-CB 4.07Å; L304-L309 PolarHBondContact O-N 2.92Å; A307-L309 VanDerWaalsContact C-N 3.27Å; A307-L309 HydrophobicContact CB-CB 4.26Å; A307-L309 HydrophobicContact CB-CD1 3.77Å; A307-L309 HydrophobicContact CB-CG 3.87Å; L309-D313 HydrophobicContact CD2-CB 4.18Å; L309-M314 HydrophobicContact CB-CE 4.31Å; L309-M314 HydrophobicContact CD1-CE 3.92Å; L309-Y376 HydrophobicContact CD1-CD1 3.99Å; L309-Y376 HydrophobicContact CD1-CD2 4.36Å; L309-Y376 HydrophobicContact CD1-CE1 4.08Å; L309-Y376 HydrophobicContact CD1-CE2 4.42Å; L309-Y376 HydrophobicContact CD1-CG 4.17Å; L309-Y376 HydrophobicContact CD2-CD2 4.42Å; L309-Y376 HydrophobicContact CD2-CE2 4.07Å; L309-V392 HydrophobicContact CD1-CG1 4.15Å
310S98.1Very high98.5Very high49 Ų4943.8 Ų43.834%0.34324%0.24SC..  trans-125.6169.2172.875.20000110.7K312 D313S310-K312 PolarHBondContact O-N 2.68Å; S310-K312 PolarHBondContact OG-N 2.64Å; S310-D313 WeakPolarHBondContact CA-OD2 3.32Å; S310-D313 WeakPolarHBondContact CB-OD2 3.43Å; S310-D313 PolarHBondContact N-OD2 2.82Å; S310-D313 WeakPolarHBondContact O-CB 3.43Å; S310-D313 PolarHBondContact O-N 3.25Å; S310-D313 VanDerWaalsContact O-N 3.11Å; S310-D313 PolarHBondContact OG-OD2 3.21Å
311V97.8Very high98.5Very high36 Ų3643.9 Ų43.922%0.21824%0.24CC..G310 helixtrans-59.6-29.8175.9173.70000111.3I300 L304 D313 M314 L336I300-V311 HydrophobicContact CG2-CG2 4.41Å; L304-V311 HydrophobicContact CD1-CB 4.44Å; L304-V311 HydrophobicContact CD1-CG2 3.66Å; V311-D313 PolarHBondContact O-N 2.85Å; V311-M314 WeakPolarHBondContact O-CB 3.45Å; V311-M314 PolarHBondContact O-N 3.37Å; V311-L336 HydrophobicContact CG1-CD2 3.68Å
312K97.7Very high98.4Very high186 Ų18641.1 Ų41.181%0.80922%0.223SC*.G310 helixtrans-68-24.8179.4-62.1-176.8179.4-179.90113.2S310 M314S310-K312 PolarHBondContact O-N 2.68Å; S310-K312 PolarHBondContact OG-N 2.64Å; K312-M314 PolarHBondContact O-N 2.85Å
313D98.4Very high98.4Very high74 Ų7439.2 Ų39.240%0.39621%0.214SC..G310 helixtrans-78.9-9.3178-55.1-61.7000112.4L309 S310 V311L309-D313 HydrophobicContact CD2-CB 4.18Å; S310-D313 WeakPolarHBondContact CA-OD2 3.32Å; S310-D313 WeakPolarHBondContact CB-OD2 3.43Å; S310-D313 PolarHBondContact N-OD2 2.82Å; S310-D313 WeakPolarHBondContact O-CB 3.43Å; S310-D313 PolarHBondContact O-N 3.25Å; S310-D313 VanDerWaalsContact O-N 3.11Å; S310-D313 PolarHBondContact OG-OD2 3.21Å; V311-D313 PolarHBondContact O-N 2.85Å
314M98.8Very high98.5Very high1 Ų139.2 Ų39.21%0.00521%0.214CC..  trans-80.2128.1179.2-58.2-62.196.900110.2L304 L309 V311 K312 V317 K340 Y376 V378 V392L304-M314 HydrophobicContact CD2-CE 3.63Å; L304-M314 HydrophobicContact CD2-CG 4.25Å; L304-M314 HydrophobicContact CD2-SD 3.7Å; L309-M314 HydrophobicContact CB-CE 4.31Å; L309-M314 HydrophobicContact CD1-CE 3.92Å; V311-M314 WeakPolarHBondContact O-CB 3.45Å; V311-M314 PolarHBondContact O-N 3.37Å; K312-M314 PolarHBondContact O-N 2.85Å; M314-V317 HydrophobicContact CB-CG2 3.83Å; M314-V317 HydrophobicContact CG-CG2 4.3Å; M314-K340 WeakPolarHBondContact O-CD 3.42Å; M314-K340 PolarHBondContact O-NZ 3.12Å; M314-Y376 VanDerWaalsContact CE-CB 3.43Å; M314-Y376 HydrophobicContact CE-CG 4.08Å; M314-V378 HydrophobicContact CG-CG1 3.86Å; M314-V378 HydrophobicContact SD-CB 3.89Å; M314-V378 HydrophobicContact SD-CG1 3.91Å; M314-V392 HydrophobicContact SD-CG1 4.5Å
315D98.9Very high98.5Very high59 Ų5939 Ų3932%0.31621%0.213SC..SBendtrans-84-26.6168.8-62.1-64000111.3L369 K375 Y376D315-L369 HydrophobicContact CB-CD1 4.04Å; D315-K375 WeakPolarHBondContact OD2-CA 3.45Å; D315-K375 PolarHBondContact OD2-N 2.98Å; D315-Y376 WeakPolarHBondContact CB-O 3.4Å; D315-Y376 PolarHBondContact N-O 2.88Å; D315-Y376 PolarHBondContact OD2-N 3.41Å; D315-Y376 VanDerWaalsContact OD2-N 3.1Å
316L98.9Very high98.5Very high3 Ų332.5 Ų32.52%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-140.3140.2175.4-69.1172000111.9K340 V343 L365 E368 L369 Y376 A377 V378L316-K340 CarbonylContact C-O 3.48Å; L316-K340 WeakPolarHBondContact CA-O 3.5Å; L316-V343 HydrophobicContact CD2-CB 4.45Å; L316-V343 HydrophobicContact CD2-CG1 3.92Å; L316-V343 HydrophobicContact CD2-CG2 3.64Å; L316-L365 HydrophobicContact CB-CD2 3.88Å; L316-L365 HydrophobicContact CD1-CD2 4.43Å; L316-E368 HydrophobicContact CD1-CB 3.94Å; L316-E368 HydrophobicContact CD1-CG 3.62Å; L316-E368 HydrophobicContact CD2-CG 4.35Å; L316-L369 HydrophobicContact CD1-CB 3.98Å; L316-L369 HydrophobicContact CD1-CD1 4.18Å; L316-L369 HydrophobicContact CG-CD1 4.49Å; L316-Y376 PolarHBondContact N-O 3.27Å; L316-A377 HydrophobicContact CB-CB 3.92Å; L316-A377 CarbonylContact O-C 3.52Å; L316-A377 WeakPolarHBondContact O-CA 3.48Å; L316-V378 PolarHBondContact O-N 3.27Å
317V98.9Very high98.5Very high6 Ų628 Ų284%0.03617%0.165CC..EExtended strand (participates in β ladder)trans-127.7129.7173.4-179.30000108.1M314 V319 L336 K340 S341 N342 V378M314-V317 HydrophobicContact CB-CG2 3.83Å; M314-V317 HydrophobicContact CG-CG2 4.3Å; V317-V319 HydrophobicContact CG1-CG2 4.13Å; V317-L336 HydrophobicContact CG1-CD1 3.98Å; V317-L336 HydrophobicContact CG1-CD2 4.12Å; V317-L336 HydrophobicContact CG2-CD2 4.49Å; V317-K340 PolarHBondContact N-O 3.27Å; V317-S341 CarbonylContact O-C 3.5Å; V317-S341 VanDerWaalsContact O-CA 3.24Å; V317-S341 WeakPolarHBondContact O-CA 3.38Å; V317-N342 PolarHBondContact O-N 3.05Å; V317-V378 CarbonylContact C-O 3.5Å; V317-V378 WeakPolarHBondContact CA-O 3.18Å; V317-V378 HydrophobicContact CB-CG1 4.29Å; V317-V378 HydrophobicContact CG1-CG1 4.01Å; V317-V378 HydrophobicContact CG2-CG1 3.94Å
318E98.9Very high98.6Very high4 Ų428.4 Ų28.42%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-116.4123.1165.9-80.5-90.3148.800109.7N342 R360 I361 H364 L365 V378 G379 S380E318-N342 VanDerWaalsContact CA-OD1 3.26Å; E318-N342 WeakPolarHBondContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact OE1-CA 3.48Å; E318-R360 IonicContact OE2-NH1 2.68Å; E318-R360 IonicContact OE2-NH2 2.68Å; E318-R360 PolarHBondContact OE2-NH2 2.76Å; E318-I361 HydrophobicContact CB-CG2 3.36Å; E318-I361 HydrophobicContact CG-CG2 3.95Å; E318-H364 IonicContact OE1-CD2 3.37Å; E318-L365 HydrophobicContact CB-CD1 4.1Å; E318-L365 HydrophobicContact CB-CD2 4.12Å; E318-L365 HydrophobicContact CB-CG 4.19Å; E318-L365 HydrophobicContact CG-CD1 4.3Å; E318-L365 HydrophobicContact CG-CD2 3.51Å; E318-L365 HydrophobicContact CG-CG 3.84Å; E318-V378 PolarHBondContact N-O 3.19Å; E318-G379 CarbonylContact O-C 3.57Å; E318-G379 WeakPolarHBondContact O-CA 3.43Å; E318-S380 PolarHBondContact O-N 2.6Å; E318-S380 PolarHBondContact O-OG 2.87Å; E318-S380 VanDerWaalsContact O-OG 3.07Å
319V98.9Very high98.6Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-119116.3167.6178.70000106.1P296 I300 V317 E321 Y327 V330 L336 N342 S380P296-V319 HydrophobicContact CB-CG1 4.25Å; P296-V319 HydrophobicContact CG-CG1 4.1Å; I300-V319 HydrophobicContact CD1-CG2 4.11Å; V317-V319 HydrophobicContact CG1-CG2 4.13Å; V319-E321 PolarHBondContact O-N 3.11Å; V319-Y327 HydrophobicContact CB-CD2 4.02Å; V319-Y327 HydrophobicContact CB-CE2 4.29Å; V319-Y327 HydrophobicContact CG1-CD2 4.3Å; V319-V330 HydrophobicContact CG1-CB 4.29Å; V319-V330 HydrophobicContact CG1-CG1 4.03Å; V319-V330 HydrophobicContact CG1-CG2 4.41Å; V319-V330 HydrophobicContact CG2-CG1 3.94Å; V319-L336 HydrophobicContact CG2-CD1 3.88Å; V319-N342 PolarHBondContact N-OD1 3.43Å; V319-N342 PolarHBondContact O-ND2 2.94Å; V319-N342 PolarHBondContact O-OD1 3.3Å; V319-S380 WeakPolarHBondContact CG2-OG 3.39Å
320N98.9Very high98.7Very high1 Ų123.5 Ų23.51%0.00512%0.121CC..  trans-51.7128.2-179.7-171.862.8000111.6A322 Q326 H352 I361 S380 A381N320-A322 VanDerWaalsContact C-N 3.32Å; N320-A322 PolarHBondContact O-N 2.96Å; N320-A322 VanDerWaalsContact O-N 3.08Å; N320-Q326 PolarHBondContact O-OE1 2.76Å; N320-H352 PolarHBondContact ND2-CE1 3.42Å; N320-H352 PolarHBondContact ND2-ND1 3.23Å; N320-H352 PolarHBondContact ND2-NE2 3.49Å; N320-I361 HydrophobicContact CB-CD1 3.68Å; N320-S380 PolarHBondContact N-O 3.27Å; N320-A381 HydrophobicContact CB-CB 3.83Å
321E98.7Very high98.7Very high1 Ų121.9 Ų21.91%0.00511%0.111CC..  trans-86.662.7-175.7-53.8176.5163.200111.5Y182 T186 S251 V319 F323 N342 G346 A347 I348Y182-E321 HydrophobicContact CE1-CG 4.09Å; Y182-E321 VanDerWaalsContact OH-CD 3.29Å; Y182-E321 PolarHBondContact OH-OE1 2.76Å; T186-E321 VanDerWaalsContact OG1-CD 3.31Å; T186-E321 PolarHBondContact OG1-OE1 2.96Å; T186-E321 PolarHBondContact OG1-OE2 2.76Å; S251-E321 WeakPolarHBondContact CB-O 3.43Å; V319-E321 PolarHBondContact O-N 3.11Å; E321-F323 PolarHBondContact O-N 3.26Å; E321-N342 VanDerWaalsContact CG-ND2 3.28Å; E321-N342 WeakPolarHBondContact CG-ND2 3.44Å; E321-N342 PolarHBondContact OE1-ND2 3.34Å; E321-G346 PolarHBondContact OE1-N 3.34Å; E321-G346 WeakPolarHBondContact OE2-CA 3.48Å; E321-G346 PolarHBondContact OE2-N 3.12Å; E321-A347 HydrophobicContact CB-CB 4.16Å; E321-A347 PolarHBondContact OE2-N 3.17Å; E321-I348 HydrophobicContact CB-CD1 4.05Å; E321-I348 HydrophobicContact CB-CG1 3.89Å; E321-I348 PolarHBondContact OE2-N 2.85Å; E321-I348 VanDerWaalsContact OE2-N 3.1Å
322A98.3Very high98.7Very high5 Ų526.2 Ų26.24%0.04113%0.126CC..SBendtrans-59.5-42.7177.800000110.8S251 N320S251-A322 PolarHBondContact N-O 2.96Å; S251-A322 PolarHBondContact OG-O 3.5Å; S251-A322 VanDerWaalsContact OG-O 3.12Å; N320-A322 VanDerWaalsContact C-N 3.32Å; N320-A322 PolarHBondContact O-N 2.96Å; N320-A322 VanDerWaalsContact O-N 3.08Å
323F98.9Very high98.8Very high22 Ų2219.5 Ų19.510%0.09611%0.106CC..BIsolated β-bridgetrans-145.9144172.7-58.3-87.1000109.3M161 A165 F239 V245 A250 E321 P325 Q326 Y327M161-F323 HydrophobicContact CB-CE2 4.02Å; M161-F323 HydrophobicContact CB-CZ 4.2Å; A165-F323 HydrophobicContact CB-CB 3.65Å; A165-F323 HydrophobicContact CB-CD1 4.29Å; A165-F323 HydrophobicContact CB-CD2 3.76Å; A165-F323 HydrophobicContact CB-CG 3.63Å; F239-F323 HydrophobicContact CE2-CE1 4.1Å; V245-F323 HydrophobicContact CG1-CD1 3.66Å; V245-F323 HydrophobicContact CG1-CE1 3.99Å; V245-F323 HydrophobicContact CG2-CD1 4.43Å; A250-F323 HydrophobicContact CB-CD1 3.49Å; A250-F323 VanDerWaalsContact CB-CD1 3.49Å; A250-F323 HydrophobicContact CB-CE1 3.69Å; E321-F323 PolarHBondContact O-N 3.26Å; F323-P325 HydrophobicContact CB-CG 4.32Å; F323-Q326 HydrophobicContact CB-CB 4.1Å; F323-Q326 WeakPolarHBondContact O-CB 3.34Å; F323-Q326 PolarHBondContact O-N 2.88Å; F323-Q326 VanDerWaalsContact O-N 3.13Å; F323-Y327 PolarHBondContact O-N 3.4Å
324A98.9Very high98.8Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-53.9-49175.600000113.5C179 Y182 N249 Q326 Y327 L328 I348C179-A324 HydrophobicContact CB-CB 3.88Å; Y182-A324 HydrophobicContact CD1-CB 3.96Å; N249-A324 HydrophobicContact CB-CB 3.91Å; N249-A324 WeakPolarHBondContact O-CB 3.22Å; N249-A324 PolarHBondContact O-N 3.41Å; A324-Q326 PolarHBondContact O-N 2.85Å; A324-Y327 PolarHBondContact O-N 3.28Å; A324-L328 WeakPolarHBondContact O-CB 3.29Å; A324-L328 VanDerWaalsContact O-CG 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.21Å; A324-L328 PolarHBondContact O-N 3.36Å; A324-I348 HydrophobicContact CB-CD1 3.89Å
325P98.8Very high98.8Very high0 Ų020.2 Ų20.20%012%0.124CC..Hα-helixtrans-64.8-28.7178.721.8-30.8000113.1A165 A169 I174 C179 V245 F323 S329A165-P325 HydrophobicContact CB-CG 4.13Å; A169-P325 HydrophobicContact CB-CB 3.69Å; A169-P325 HydrophobicContact CB-CG 4.49Å; I174-P325 WeakPolarHBondContact CD1-O 3.29Å; I174-P325 HydrophobicContact CG2-CB 4.33Å; C179-P325 VanDerWaalsContact SG-CD 3.57Å; V245-P325 HydrophobicContact CG2-CG 3.78Å; F323-P325 HydrophobicContact CB-CG 4.32Å; P325-S329 WeakPolarHBondContact O-CB 3.49Å; P325-S329 PolarHBondContact O-N 2.84Å; P325-S329 PolarHBondContact O-OG 2.9Å
326Q98.8Very high98.8Very high1 Ų118.1 Ų18.11%0.00511%0.113CC..Hα-helixtrans-67.5-51173.6171.1-84.3-4600111A165 L168 G293 N320 F323 A324 L328 S329 V330A165-Q326 HydrophobicContact CB-CB 4.45Å; L168-Q326 HydrophobicContact CD1-CB 4.29Å; L168-Q326 HydrophobicContact CD1-CG 4.28Å; G293-Q326 WeakPolarHBondContact O-CG 3.37Å; G293-Q326 PolarHBondContact O-NE2 3.48Å; N320-Q326 PolarHBondContact O-OE1 2.76Å; F323-Q326 HydrophobicContact CB-CB 4.1Å; F323-Q326 WeakPolarHBondContact O-CB 3.34Å; F323-Q326 PolarHBondContact O-N 2.88Å; F323-Q326 VanDerWaalsContact O-N 3.13Å; A324-Q326 PolarHBondContact O-N 2.85Å; Q326-L328 PolarHBondContact O-N 3.39Å; Q326-S329 WeakPolarHBondContact O-CB 3.43Å; Q326-S329 PolarHBondContact O-N 2.99Å; Q326-V330 PolarHBondContact O-N 2.97Å; Q326-V330 VanDerWaalsContact O-N 3.17Å
327Y98.9Very high98.7Very high8 Ų821.5 Ų21.53%0.03113%0.131CC..Hα-helixtrans-57.3-49.6176.4165.2-91.4000111.1Y182 V319 F323 A324 S329 V330 A331 N342Y182-Y327 AromaticContact CD1-CD1 3.9Å; Y182-Y327 HydrophobicContact CD1-CD1 3.9Å; Y182-Y327 HydrophobicContact CD1-CE1 4.46Å; Y182-Y327 AromaticContact CD2-CD1 3.84Å; Y182-Y327 HydrophobicContact CD2-CD1 3.84Å; Y182-Y327 AromaticContact CD2-CE1 3.59Å; Y182-Y327 HydrophobicContact CD2-CE1 3.59Å; Y182-Y327 AromaticContact CE1-CD1 3.43Å; Y182-Y327 HydrophobicContact CE1-CD1 3.43Å; Y182-Y327 VanDerWaalsContact CE1-CD1 3.43Å; Y182-Y327 AromaticContact CE1-CE1 3.96Å; Y182-Y327 HydrophobicContact CE1-CE1 3.96Å; Y182-Y327 AromaticContact CE1-CG 3.77Å; Y182-Y327 HydrophobicContact CE1-CG 3.77Å; Y182-Y327 AromaticContact CE2-CD1 3.38Å; Y182-Y327 HydrophobicContact CE2-CD1 3.38Å; Y182-Y327 AromaticContact CE2-CE1 2.96Å; Y182-Y327 HydrophobicContact CE2-CE1 2.96Å; Y182-Y327 HydrophobicContact CE2-CE2 4.42Å; Y182-Y327 HydrophobicContact CE2-CG 4.28Å; Y182-Y327 AromaticContact CE2-CZ 3.55Å; Y182-Y327 HydrophobicContact CG-CD1 4.08Å; Y182-Y327 HydrophobicContact CG-CE1 4.3Å; Y182-Y327 AromaticContact CZ-CD1 3.14Å; Y182-Y327 AromaticContact CZ-CE1 3.17Å; Y182-Y327 AromaticContact CZ-CG 3.62Å; Y182-Y327 AromaticContact CZ-CZ 3.61Å; Y182-Y327 WeakPolarHBondContact OH-CE1 3.05Å; Y182-Y327 WeakPolarHBondContact OH-CE2 3.37Å; Y182-Y327 VanDerWaalsContact OH-CZ 3.3Å; V319-Y327 HydrophobicContact CB-CD2 4.02Å; V319-Y327 HydrophobicContact CB-CE2 4.29Å; V319-Y327 HydrophobicContact CG1-CD2 4.3Å; F323-Y327 PolarHBondContact O-N 3.4Å; A324-Y327 PolarHBondContact O-N 3.28Å; Y327-S329 VanDerWaalsContact C-N 3.25Å; Y327-S329 PolarHBondContact O-N 2.86Å; Y327-V330 WeakPolarHBondContact O-CB 3.46Å; Y327-V330 PolarHBondContact O-N 2.83Å; Y327-V330 VanDerWaalsContact O-N 3.08Å; Y327-A331 HydrophobicContact CE1-CB 4.11Å; Y327-A331 WeakPolarHBondContact O-CB 3.35Å; Y327-A331 PolarHBondContact O-N 2.84Å; Y327-N342 WeakPolarHBondContact CD2-ND2 3.35Å; Y327-N342 WeakPolarHBondContact CE2-ND2 3.33Å
328L98.9Very high98.6Very high37 Ų3724.4 Ų24.419%0.19415%0.15CC..Hα-helixtrans-61.7-34.4-178.2-71.9170.3000111.9I174 D178 Y182 A324 Q326 A331 K332I174-L328 HydrophobicContact CD1-CB 3.74Å; I174-L328 HydrophobicContact CG1-CB 4.3Å; I174-L328 HydrophobicContact CG2-CB 4.24Å; I174-L328 HydrophobicContact CG2-CD1 3.67Å; D178-L328 HydrophobicContact CB-CD1 3.96Å; Y182-L328 HydrophobicContact CD2-CD2 4.29Å; Y182-L328 HydrophobicContact CG-CD2 4.3Å; Y182-L328 HydrophobicContact CG-CG 4.43Å; A324-L328 WeakPolarHBondContact O-CB 3.29Å; A324-L328 VanDerWaalsContact O-CG 3.31Å; A324-L328 WeakPolarHBondContact O-CG 3.21Å; A324-L328 PolarHBondContact O-N 3.36Å; Q326-L328 PolarHBondContact O-N 3.39Å; L328-A331 PolarHBondContact O-N 2.98Å; L328-K332 VanDerWaalsContact O-CB 3.26Å; L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 2.93Å
329S98.9Very high98.6Very high0 Ų030.5 Ų30.50%018%0.178CC..Hα-helixtrans-64.5-44.2174-62.70000112.1Y172 I174 P325 Q326 Y327 A333Y172-S329 WeakPolarHBondContact CD2-OG 3.05Å; I174-S329 WeakPolarHBondContact CD1-OG 3.23Å; P325-S329 WeakPolarHBondContact O-CB 3.49Å; P325-S329 PolarHBondContact O-N 2.84Å; P325-S329 PolarHBondContact O-OG 2.9Å; Q326-S329 WeakPolarHBondContact O-CB 3.43Å; Q326-S329 PolarHBondContact O-N 2.99Å; Y327-S329 VanDerWaalsContact C-N 3.25Å; Y327-S329 PolarHBondContact O-N 2.86Å; S329-A333 VanDerWaalsContact O-CB 3.26Å; S329-A333 WeakPolarHBondContact O-CB 3.39Å; S329-A333 PolarHBondContact O-N 2.89Å
330V98.9Very high98.6Very high0 Ų033.7 Ų33.70%019%0.192CC..Hα-helixtrans-64.7-46.1175.8174.30000110.4G293 I294 P296 V297 V319 Q326 Y327 K332 A333 L334 L336G293-V330 WeakPolarHBondContact O-CG2 3.25Å; I294-V330 HydrophobicContact CD1-CG2 4.33Å; P296-V330 HydrophobicContact CB-CG1 3.87Å; P296-V330 HydrophobicContact CB-CG2 4.06Å; P296-V330 HydrophobicContact CG-CG2 4.06Å; V297-V330 HydrophobicContact CG2-CB 4.34Å; V297-V330 HydrophobicContact CG2-CG1 4.12Å; V297-V330 HydrophobicContact CG2-CG2 4.21Å; V319-V330 HydrophobicContact CG1-CB 4.29Å; V319-V330 HydrophobicContact CG1-CG1 4.03Å; V319-V330 HydrophobicContact CG1-CG2 4.41Å; V319-V330 HydrophobicContact CG2-CG1 3.94Å; Q326-V330 PolarHBondContact O-N 2.97Å; Q326-V330 VanDerWaalsContact O-N 3.17Å; Y327-V330 WeakPolarHBondContact O-CB 3.46Å; Y327-V330 PolarHBondContact O-N 2.83Å; Y327-V330 VanDerWaalsContact O-N 3.08Å; V330-K332 VanDerWaalsContact C-N 3.34Å; V330-K332 PolarHBondContact O-N 2.89Å; V330-A333 PolarHBondContact O-N 3.18Å; V330-L334 HydrophobicContact CG1-CD1 3.87Å; V330-L334 PolarHBondContact O-N 3.37Å; V330-L336 HydrophobicContact CG1-CD1 4.5Å
331A98.8Very high98.6Very high16 Ų1633.7 Ų33.713%0.13219%0.192CC..Hα-helixtrans-58.3-46.3179.200000111.6Y327 L328 G335 L336Y327-A331 HydrophobicContact CE1-CB 4.11Å; Y327-A331 WeakPolarHBondContact O-CB 3.35Å; Y327-A331 PolarHBondContact O-N 2.84Å; L328-A331 PolarHBondContact O-N 2.98Å; A331-G335 WeakPolarHBondContact O-CA 3.25Å; A331-G335 PolarHBondContact O-N 2.83Å; A331-L336 HydrophobicContact CB-CB 4.21Å; A331-L336 HydrophobicContact CB-CD1 4.24Å; A331-L336 HydrophobicContact CB-CG 4.43Å; A331-L336 PolarHBondContact O-N 3.22Å
332K98.7Very high98.6Very high126 Ų12633.7 Ų33.755%0.54819%0.192SC..Hα-helixtrans-63.8-43.9175.9-172.4171.8-178.9172.50112.2Y172 L328 V330Y172-K332 HydrophobicContact CD1-CD 4.34Å; Y172-K332 PolarHBondContact O-NZ 2.92Å; L328-K332 VanDerWaalsContact O-CB 3.26Å; L328-K332 WeakPolarHBondContact O-CB 3.45Å; L328-K332 PolarHBondContact O-N 2.93Å; V330-K332 VanDerWaalsContact C-N 3.34Å; V330-K332 PolarHBondContact O-N 2.89Å
333A98.6Very high98.6Very high46 Ų4634.2 Ų34.238%0.3820%0.195SC..Hα-helixtrans-67.7-34.6-177.900000113.5Y172 I294 V297 S329 V330Y172-A333 HydrophobicContact CE1-CB 4.19Å; I294-A333 HydrophobicContact CD1-CB 4.45Å; V297-A333 HydrophobicContact CG1-CB 4.33Å; V297-A333 HydrophobicContact CG2-CB 3.76Å; S329-A333 VanDerWaalsContact O-CB 3.26Å; S329-A333 WeakPolarHBondContact O-CB 3.39Å; S329-A333 PolarHBondContact O-N 2.89Å; V330-A333 PolarHBondContact O-N 3.18Å
334L98.6Very high98.6Very high28 Ų2833.4 Ų33.415%0.14719%0.192CC..Hα-helixtrans-95.6-8.2-179.9-69.5175000113.7V297 I300 V330 L336V297-L334 HydrophobicContact CG1-CD2 3.99Å; V297-L334 HydrophobicContact CG1-CG 4.33Å; V297-L334 HydrophobicContact CG2-CG 4.24Å; I300-L334 HydrophobicContact CB-CD1 4.08Å; I300-L334 HydrophobicContact CD1-CD1 3.6Å; I300-L334 HydrophobicContact CG1-CD1 4.45Å; I300-L334 HydrophobicContact CG2-CD1 4.1Å; V330-L334 HydrophobicContact CG1-CD1 3.87Å; V330-L334 PolarHBondContact O-N 3.37Å; L334-L336 HydrophobicContact CB-CD2 3.68Å; L334-L336 HydrophobicContact CB-CG 3.92Å; L334-L336 HydrophobicContact CD1-CD2 4.14Å
335G98.4Very high98.6Very high62 Ų6233.7 Ų33.764%0.63919%0.194SC*.THydrogen-bonded Turntrans61.543.8-172.800000112A331A331-G335 WeakPolarHBondContact O-CA 3.25Å; A331-G335 PolarHBondContact O-N 2.83Å
336L98.6Very high98.6Very high15 Ų1533.7 Ų33.78%0.07920%0.195CC..  trans-65.5135.9-177.6-63-172.3000111.1V311 V317 V319 V330 A331 L334 P338V311-L336 HydrophobicContact CG1-CD2 3.68Å; V317-L336 HydrophobicContact CG1-CD1 3.98Å; V317-L336 HydrophobicContact CG1-CD2 4.12Å; V317-L336 HydrophobicContact CG2-CD2 4.49Å; V319-L336 HydrophobicContact CG2-CD1 3.88Å; V330-L336 HydrophobicContact CG1-CD1 4.5Å; A331-L336 HydrophobicContact CB-CB 4.21Å; A331-L336 HydrophobicContact CB-CD1 4.24Å; A331-L336 HydrophobicContact CB-CG 4.43Å; A331-L336 PolarHBondContact O-N 3.22Å; L334-L336 HydrophobicContact CB-CD2 3.68Å; L334-L336 HydrophobicContact CB-CG 3.92Å; L334-L336 HydrophobicContact CD1-CD2 4.14Å; L336-P338 WeakPolarHBondContact O-CD 3.37Å
337D98.3Very high98.6Very high74 Ų7433.7 Ų33.740%0.39620%0.195SC..  trans-73.9116.9171.9-176.8-12.6000109.3E339 K340 S341D337-E339 PolarHBondContact O-N 2.55Å; D337-E339 PolarHBondContact OD1-N 2.79Å; D337-K340 HydrophobicContact CB-CB 4.29Å; D337-K340 HydrophobicContact CB-CD 4.47Å; D337-K340 HydrophobicContact CB-CG 4.21Å; D337-K340 PolarHBondContact O-N 2.74Å; D337-K340 VanDerWaalsContact O-N 3.08Å; D337-S341 WeakPolarHBondContact O-CB 3.28Å; D337-S341 PolarHBondContact O-N 3.1Å; D337-S341 VanDerWaalsContact O-N 3.08Å; D337-S341 PolarHBondContact O-OG 3.16Å
338P96.8Very high98.6Very high66 Ų6633.4 Ų33.443%0.42919%0.194SC..THydrogen-bonded Turntrans-57.7-31.8179.5-23.934.8000113R189 L336 K340 S341R189-P338 PolarHBondContact NH1-O 3.22Å; R189-P338 PolarHBondContact NH2-O 3.5Å; L336-P338 WeakPolarHBondContact O-CD 3.37Å; P338-K340 PolarHBondContact O-N 2.86Å; P338-S341 PolarHBondContact O-N 2.6Å
339E98Very high98.6Very high133 Ų13331.6 Ų31.662%0.62118%0.184SC*.THydrogen-bonded Turntrans-76-11.6-177.9-64.3-55.2115.800113.2R189 D337 V343R189-E339 IonicContact NH2-OE1 2.99Å; D337-E339 PolarHBondContact O-N 2.55Å; D337-E339 PolarHBondContact OD1-N 2.79Å; E339-V343 WeakPolarHBondContact O-CG1 3.41Å
340K98.7Very high98.5Very high66 Ų6631.9 Ų31.929%0.28719%0.186SC..THydrogen-bonded Turntrans-111.3-8.3174.6-56.6-168.4-174.2-170.80113.5M314 L316 V317 D337 P338 V343M314-K340 WeakPolarHBondContact O-CD 3.42Å; M314-K340 PolarHBondContact O-NZ 3.12Å; L316-K340 CarbonylContact C-O 3.48Å; L316-K340 WeakPolarHBondContact CA-O 3.5Å; V317-K340 PolarHBondContact N-O 3.27Å; D337-K340 HydrophobicContact CB-CB 4.29Å; D337-K340 HydrophobicContact CB-CD 4.47Å; D337-K340 HydrophobicContact CB-CG 4.21Å; D337-K340 PolarHBondContact O-N 2.74Å; D337-K340 VanDerWaalsContact O-N 3.08Å; P338-K340 PolarHBondContact O-N 2.86Å; K340-V343 VanDerWaalsContact C-CG1 3.41Å
341S98.8Very high98.5Very high1 Ų131.9 Ų31.91%0.00719%0.186CC..BIsolated β-bridgetrans-108.1124.7-171.8-53.80000111.4R189 V317 D337 P338 V343R189-S341 PolarHBondContact NH1-O 2.88Å; V317-S341 CarbonylContact O-C 3.5Å; V317-S341 VanDerWaalsContact O-CA 3.24Å; V317-S341 WeakPolarHBondContact O-CA 3.38Å; D337-S341 WeakPolarHBondContact O-CB 3.28Å; D337-S341 PolarHBondContact O-N 3.1Å; D337-S341 VanDerWaalsContact O-N 3.08Å; D337-S341 PolarHBondContact O-OG 3.16Å; P338-S341 PolarHBondContact O-N 2.6Å; S341-V343 VanDerWaalsContact C-N 3.29Å; S341-V343 PolarHBondContact O-N 3.32Å
342N98.8Very high98.5Very high1 Ų131.6 Ų31.61%0.00518%0.182CC..SBendtrans48.249.5-178.5-63.2-8.2000112.4Y182 R189 V317 E318 V319 E321 Y327 N344 G345Y182-N342 PolarHBondContact OH-ND2 3.27Å; R189-N342 WeakPolarHBondContact CD-O 3.36Å; R189-N342 PolarHBondContact NH1-O 2.92Å; R189-N342 VanDerWaalsContact NH1-O 3.08Å; V317-N342 PolarHBondContact O-N 3.05Å; E318-N342 VanDerWaalsContact CA-OD1 3.26Å; E318-N342 WeakPolarHBondContact CA-OD1 3.31Å; E318-N342 WeakPolarHBondContact OE1-CA 3.48Å; V319-N342 PolarHBondContact N-OD1 3.43Å; V319-N342 PolarHBondContact O-ND2 2.94Å; V319-N342 PolarHBondContact O-OD1 3.3Å; E321-N342 VanDerWaalsContact CG-ND2 3.28Å; E321-N342 WeakPolarHBondContact CG-ND2 3.44Å; E321-N342 PolarHBondContact OE1-ND2 3.34Å; Y327-N342 WeakPolarHBondContact CD2-ND2 3.35Å; Y327-N342 WeakPolarHBondContact CE2-ND2 3.33Å; N342-N344 PolarHBondContact O-N 2.75Å; N342-G345 PolarHBondContact O-N 3.3Å; N342-G345 VanDerWaalsContact O-N 3.13Å
343V98.8Very high98.5Very high17 Ų1725.6 Ų25.610%0.10316%0.156CC..THydrogen-bonded Turntrans-68.1-21-166-60.10000114.3L316 E339 K340 S341 E368L316-V343 HydrophobicContact CD2-CB 4.45Å; L316-V343 HydrophobicContact CD2-CG1 3.92Å; L316-V343 HydrophobicContact CD2-CG2 3.64Å; E339-V343 WeakPolarHBondContact O-CG1 3.41Å; K340-V343 VanDerWaalsContact C-CG1 3.41Å; S341-V343 VanDerWaalsContact C-N 3.29Å; S341-V343 PolarHBondContact O-N 3.32Å; V343-E368 HydrophobicContact CG2-CG 4.14Å
344N98.8Very high98.5Very high5 Ų524 Ų243%0.02714%0.14CC..THydrogen-bonded Turntrans-110.619.6178.1-69.1-39000112.1W190 A193 H198 F199 N342 H364 E368W190-N344 VanDerWaalsContact CA-O 3.3Å; W190-N344 WeakPolarHBondContact CA-O 3.24Å; W190-N344 PolarHBondContact N-O 3.5Å; A193-N344 HydrophobicContact CB-CB 3.55Å; A193-N344 WeakPolarHBondContact CB-OD1 3.44Å; H198-N344 PolarHBondContact ND1-OD1 3.45Å; F199-N344 HydrophobicContact CE1-CB 4.08Å; F199-N344 HydrophobicContact CZ-CB 3.98Å; F199-N344 WeakPolarHBondContact CZ-O 2.92Å; N342-N344 PolarHBondContact O-N 2.75Å; N344-H364 WeakPolarHBondContact CB-NE2 3.3Å; N344-H364 PolarHBondContact ND2-CE1 2.89Å; N344-H364 PolarHBondContact ND2-NE2 3.18Å; N344-E368 WeakPolarHBondContact ND2-CG 3.35Å; N344-E368 PolarHBondContact ND2-OE1 3.11Å; N344-E368 PolarHBondContact ND2-OE2 3.5Å
345G98.5Very high98.5Very high5 Ų522.6 Ų22.65%0.05213%0.133CC..  trans79.6175.5-17300000112T186 N342T186-G345 WeakPolarHBondContact OG1-CA 3.3Å; N342-G345 PolarHBondContact O-N 3.3Å; N342-G345 VanDerWaalsContact O-N 3.13Å
346G98.6Very high98.5Very high1 Ų119.7 Ų19.71%0.0110%0.103CC..  trans-150.7-156.6-174.800000113.1T186 E321 I348 A349 I350T186-G346 PolarHBondContact OG1-N 3.25Å; E321-G346 PolarHBondContact OE1-N 3.34Å; E321-G346 WeakPolarHBondContact OE2-CA 3.48Å; E321-G346 PolarHBondContact OE2-N 3.12Å; G346-I348 PolarHBondContact O-N 3.12Å; G346-I348 VanDerWaalsContact O-N 3.14Å; G346-A349 WeakPolarHBondContact O-CA 3.27Å; G346-A349 WeakPolarHBondContact O-CB 3.16Å; G346-A349 PolarHBondContact O-N 3.12Å; G346-I350 WeakPolarHBondContact O-CG1 3.33Å; G346-I350 PolarHBondContact O-N 3.35Å
347A98.8Very high98.5Very high0 Ų019 Ų190%010%0.099CC..Hα-helixtrans-64.1-19.5-166.600000115.1S251 E321 A349 G351 H352S251-A347 WeakPolarHBondContact CA-O 3.36Å; S251-A347 WeakPolarHBondContact CB-O 3.47Å; E321-A347 HydrophobicContact CB-CB 4.16Å; E321-A347 PolarHBondContact OE2-N 3.17Å; A347-A349 VanDerWaalsContact C-N 3.28Å; A347-G351 WeakPolarHBondContact CA-O 3.42Å; A347-G351 WeakPolarHBondContact CB-O 3.44Å; A347-G351 CarbonylContact O-C 3.47Å; A347-G351 WeakPolarHBondContact O-CA 3.38Å; A347-G351 PolarHBondContact O-N 3.01Å; A347-H352 HydrophobicContact CB-CB 4.12Å
348I98.9Very high98.5Very high2 Ų215.4 Ų15.41%0.018%0.08CC..Hα-helixtrans-66.1-35.5169.6-69.1166.1000110.4Y182 A183 T186 Q187 A248 E321 A324 G346Y182-I348 HydrophobicContact CD1-CD1 3.99Å; Y182-I348 HydrophobicContact CE1-CD1 3.97Å; A183-I348 HydrophobicContact CB-CG2 4.08Å; T186-I348 HydrophobicContact CG2-CB 3.74Å; T186-I348 HydrophobicContact CG2-CD1 4.41Å; T186-I348 HydrophobicContact CG2-CG2 3.75Å; Q187-I348 PolarHBondContact NE2-O 2.92Å; A248-I348 WeakPolarHBondContact O-CG2 3.23Å; E321-I348 HydrophobicContact CB-CD1 4.05Å; E321-I348 HydrophobicContact CB-CG1 3.89Å; E321-I348 PolarHBondContact OE2-N 2.85Å; E321-I348 VanDerWaalsContact OE2-N 3.1Å; A324-I348 HydrophobicContact CB-CD1 3.89Å; G346-I348 PolarHBondContact O-N 3.12Å; G346-I348 VanDerWaalsContact O-N 3.14Å
349A98.7Very high98.6Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-80.7-50.7175.700000112.3W190 H222 P223 G346 A347W190-A349 HydrophobicContact CB-CB 3.77Å; W190-A349 HydrophobicContact CG-CB 4.17Å; H222-A349 CarbonylContact C-O 3.52Å; H222-A349 PolarHBondContact CD2-O 2.9Å; H222-A349 VanDerWaalsContact CD2-O 3.29Å; P223-A349 WeakPolarHBondContact CA-O 3.21Å; P223-A349 WeakPolarHBondContact CD-O 3.46Å; P223-A349 WeakPolarHBondContact CG-O 3.48Å; G346-A349 WeakPolarHBondContact O-CA 3.27Å; G346-A349 WeakPolarHBondContact O-CB 3.16Å; G346-A349 PolarHBondContact O-N 3.12Å; A347-A349 VanDerWaalsContact C-N 3.28Å
350I98.6Very high98.7Very high5 Ų56 Ų63%0.0263%0.031CC..Hα-helixtrans-99.5-5-168.562.3170.9000115.2F17 W190 D220 P223 G346F17-I350 WeakPolarHBondContact CB-O 3.41Å; F17-I350 HydrophobicContact CD2-CD1 4.42Å; W190-I350 HydrophobicContact CG-CG2 4.16Å; D220-I350 HydrophobicContact CB-CB 4.25Å; D220-I350 HydrophobicContact CB-CG2 4Å; P223-I350 HydrophobicContact CG-CG2 4.01Å; G346-I350 WeakPolarHBondContact O-CG1 3.33Å; G346-I350 PolarHBondContact O-N 3.35Å
351G98.6Very high98.7Very high0 Ų02.9 Ų2.90%02%0.017CC..  trans89.6168.2-174.700000114A347A347-G351 WeakPolarHBondContact CA-O 3.42Å; A347-G351 WeakPolarHBondContact CB-O 3.44Å; A347-G351 CarbonylContact O-C 3.47Å; A347-G351 WeakPolarHBondContact O-CA 3.38Å; A347-G351 PolarHBondContact O-N 3.01Å
352H98.8Very high98.7Very high11 Ų113 Ų35%0.0512%0.017CC..  trans-127.576.6-177.6-173.635.8000112.8C92 S251 G252 S254 N320 A347 L354 S357C92-H352 PolarHBondContact SG-NE2 2.87Å; S251-H352 VanDerWaalsContact OG-CB 3.29Å; S251-H352 WeakPolarHBondContact OG-CB 3.16Å; G252-H352 PolarHBondContact O-N 2.9Å; S254-H352 PolarHBondContact OG-N 3.13Å; N320-H352 PolarHBondContact ND2-CE1 3.42Å; N320-H352 PolarHBondContact ND2-ND1 3.23Å; N320-H352 PolarHBondContact ND2-NE2 3.49Å; A347-H352 HydrophobicContact CB-CB 4.12Å; H352-L354 PolarHBondContact O-N 2.9Å; H352-L354 VanDerWaalsContact O-N 3.13Å; H352-S357 PolarHBondContact CE1-OG 2.78Å; H352-S357 VanDerWaalsContact ND1-CB 3.3Å; H352-S357 WeakPolarHBondContact ND1-CB 3.49Å; H352-S357 PolarHBondContact ND1-OG 3.48Å
353P98.5Very high98.7Very high0 Ų02.9 Ų2.90%02%0.017CC..  trans-69.2111.1168.625.8-24.2000107.9F17 E120 S254 G355 A356 S357F17-P353 HydrophobicContact CD1-CG 4.07Å; F17-P353 VanDerWaalsContact CD2-CD 3.43Å; F17-P353 HydrophobicContact CD2-CG 3.5Å; F17-P353 HydrophobicContact CE1-CG 3.73Å; F17-P353 HydrophobicContact CE2-CG 3.1Å; F17-P353 HydrophobicContact CG-CG 3.97Å; F17-P353 HydrophobicContact CZ-CG 3.22Å; E120-P353 HydrophobicContact CB-CB 3.79Å; S254-P353 WeakPolarHBondContact OG-CD 3.41Å; P353-G355 PolarHBondContact O-N 3.42Å; P353-A356 HydrophobicContact CB-CB 4.15Å; P353-A356 HydrophobicContact CG-CB 4.02Å; P353-A356 PolarHBondContact O-N 3.23Å; P353-A356 VanDerWaalsContact O-N 3.11Å; P353-S357 WeakPolarHBondContact CD-OG 3.22Å; P353-S357 PolarHBondContact O-N 3.09Å; P353-S357 PolarHBondContact O-OG 3.28Å
354L98.2Very high98.7Very high11 Ų112.2 Ų2.26%0.0581%0.012CC..Hα-helixtrans-52.5-59-162.5-57.6177.4000112.6V59 M60 E120 M122 L152 H352 A356V59-L354 HydrophobicContact CB-CB 4.09Å; V59-L354 HydrophobicContact CB-CD1 4.31Å; V59-L354 HydrophobicContact CG1-CD1 4.13Å; V59-L354 HydrophobicContact CG2-CB 3.78Å; M60-L354 HydrophobicContact CE-CD1 3.67Å; M60-L354 HydrophobicContact CG-CD1 4.42Å; E120-L354 HydrophobicContact CG-CB 4.24Å; M122-L354 HydrophobicContact CE-CD1 3.97Å; M122-L354 HydrophobicContact CE-CD2 4.26Å; M122-L354 HydrophobicContact CE-CG 3.82Å; M122-L354 HydrophobicContact SD-CG 4.13Å; L152-L354 HydrophobicContact CD2-CD1 4.41Å; H352-L354 PolarHBondContact O-N 2.9Å; H352-L354 VanDerWaalsContact O-N 3.13Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 2.8Å
355G98.3Very high98.7Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-62.8-32.4-179.300000114.4G95 G118 E120 P353G95-G355 VanDerWaalsContact CA-O 3.29Å; G95-G355 WeakPolarHBondContact CA-O 3.18Å; G95-G355 PolarHBondContact N-O 3.02Å; G118-G355 WeakPolarHBondContact CA-O 3.44Å; E120-G355 PolarHBondContact OE2-N 2.95Å; P353-G355 PolarHBondContact O-N 3.42Å
356A98.8Very high98.7Very high0 Ų01.9 Ų1.90%01%0.01CC..Hα-helixtrans-87.5-24.7-173.100000114.7F17 G118 G256 P353 L354 G358 A359 R360F17-A356 HydrophobicContact CZ-CB 4.28Å; G118-A356 WeakPolarHBondContact O-CA 3.28Å; G118-A356 WeakPolarHBondContact O-CB 3.34Å; G256-A356 VanDerWaalsContact O-CB 3.25Å; G256-A356 WeakPolarHBondContact O-CB 3.34Å; P353-A356 HydrophobicContact CB-CB 4.15Å; P353-A356 HydrophobicContact CG-CB 4.02Å; P353-A356 PolarHBondContact O-N 3.23Å; P353-A356 VanDerWaalsContact O-N 3.11Å; L354-A356 VanDerWaalsContact C-N 3.3Å; L354-A356 PolarHBondContact O-N 2.8Å; A356-G358 VanDerWaalsContact C-N 3.34Å; A356-G358 PolarHBondContact O-N 2.99Å; A356-A359 PolarHBondContact O-N 3.17Å; A356-A359 VanDerWaalsContact O-N 3.08Å; A356-R360 PolarHBondContact O-N 3.08Å
357S98.8Very high98.8Very high0 Ų03.3 Ų3.30%02%0.016CC..Hα-helixtrans-60.8-39.1-166.5-68.40000113.7H352 P353 R360 I361H352-S357 PolarHBondContact CE1-OG 2.78Å; H352-S357 VanDerWaalsContact ND1-CB 3.3Å; H352-S357 WeakPolarHBondContact ND1-CB 3.49Å; H352-S357 PolarHBondContact ND1-OG 3.48Å; P353-S357 WeakPolarHBondContact CD-OG 3.22Å; P353-S357 PolarHBondContact O-N 3.09Å; P353-S357 PolarHBondContact O-OG 3.28Å; S357-R360 PolarHBondContact O-N 3.37Å; S357-I361 VanDerWaalsContact O-CG1 3.28Å; S357-I361 WeakPolarHBondContact O-CG1 3.31Å; S357-I361 PolarHBondContact O-N 3.08Å
358G98.9Very high98.8Very high0 Ų03.4 Ų3.40%02%0.016CC..Hα-helixtrans-66.6-37.8176.500000114.1F96 A356 T362F96-G358 WeakPolarHBondContact CD1-O 3.21Å; F96-G358 VanDerWaalsContact CE1-O 3.29Å; F96-G358 WeakPolarHBondContact CE1-O 3.24Å; A356-G358 VanDerWaalsContact C-N 3.34Å; A356-G358 PolarHBondContact O-N 2.99Å; G358-T362 PolarHBondContact O-N 2.9Å; G358-T362 PolarHBondContact O-OG1 3.39Å
359A98.9Very high98.8Very high0 Ų03.4 Ų3.40%02%0.016CC..Hα-helixtrans-70.1-38.7175.300000110.9A258 L260 A356 T362 A363A258-A359 HydrophobicContact CB-CB 3.66Å; L260-A359 HydrophobicContact CD1-CB 3.79Å; A356-A359 PolarHBondContact O-N 3.17Å; A356-A359 VanDerWaalsContact O-N 3.08Å; A359-T362 PolarHBondContact O-N 3.33Å; A359-A363 WeakPolarHBondContact O-CB 3.34Å; A359-A363 PolarHBondContact O-N 2.96Å
360R98.9Very high98.8Very high2 Ų28.1 Ų8.11%0.0083%0.034CC..Hα-helixtrans-60.2-49.4172.9-179.6-139.95590.8-18.5111.7R14 F17 A258 E318 A356 S357 T362 A363 H364R14-R360 HydrophobicContact CG-CG 4.36Å; F17-R360 HydrophobicContact CE2-CB 4.4Å; F17-R360 HydrophobicContact CE2-CG 4.19Å; F17-R360 HydrophobicContact CZ-CB 3.75Å; F17-R360 HydrophobicContact CZ-CG 3.81Å; A258-R360 HydrophobicContact CB-CB 4.19Å; A258-R360 VanDerWaalsContact CB-N 3.34Å; E318-R360 IonicContact OE2-NH1 2.68Å; E318-R360 IonicContact OE2-NH2 2.68Å; E318-R360 PolarHBondContact OE2-NH2 2.76Å; A356-R360 PolarHBondContact O-N 3.08Å; S357-R360 PolarHBondContact O-N 3.37Å; R360-T362 VanDerWaalsContact C-N 3.3Å; R360-T362 PolarHBondContact O-N 2.88Å; R360-A363 PolarHBondContact O-N 3.35Å; R360-H364 WeakPolarHBondContact O-CB 3.47Å; R360-H364 PolarHBondContact O-N 3.11Å
361I98.9Very high98.8Very high0 Ų013.7 Ų13.70%06%0.055CC..Hα-helixtrans-56.4-48.4177.4-72164.4000110.2F96 E318 N320 S357 A363 H364 L365F96-I361 HydrophobicContact CE1-CB 4.22Å; F96-I361 HydrophobicContact CE1-CG2 4.08Å; F96-I361 HydrophobicContact CE2-CD1 4.01Å; F96-I361 HydrophobicContact CZ-CB 3.67Å; F96-I361 HydrophobicContact CZ-CD1 3.87Å; F96-I361 HydrophobicContact CZ-CG1 4.35Å; F96-I361 HydrophobicContact CZ-CG2 3.61Å; E318-I361 HydrophobicContact CB-CG2 3.36Å; E318-I361 HydrophobicContact CG-CG2 3.95Å; N320-I361 HydrophobicContact CB-CD1 3.68Å; S357-I361 VanDerWaalsContact O-CG1 3.28Å; S357-I361 WeakPolarHBondContact O-CG1 3.31Å; S357-I361 PolarHBondContact O-N 3.08Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å; I361-H364 PolarHBondContact O-N 3.46Å; I361-L365 HydrophobicContact CG2-CD1 4.06Å; I361-L365 HydrophobicContact CG2-CG 4.34Å; I361-L365 WeakPolarHBondContact O-CG 3.2Å; I361-L365 PolarHBondContact O-N 3.02Å
362T98.9Very high98.7Very high2 Ų219.4 Ų19.41%0.0128%0.076CC..Hα-helixtrans-60.8-46.3-179.8-520000110.8I9 F96 I99 L260 G358 A359 R360 H364 L365 V366 L393I9-T362 HydrophobicContact CD1-CG2 3.86Å; F96-T362 WeakPolarHBondContact CD1-OG1 3.45Å; F96-T362 VanDerWaalsContact CE1-OG1 3.23Å; F96-T362 WeakPolarHBondContact CE1-OG1 3.47Å; I99-T362 HydrophobicContact CD1-CG2 3.8Å; I99-T362 WeakPolarHBondContact CD1-OG1 3.24Å; L260-T362 HydrophobicContact CD2-CG2 3.58Å; G358-T362 PolarHBondContact O-N 2.9Å; G358-T362 PolarHBondContact O-OG1 3.39Å; A359-T362 PolarHBondContact O-N 3.33Å; R360-T362 VanDerWaalsContact C-N 3.3Å; R360-T362 PolarHBondContact O-N 2.88Å; T362-H364 VanDerWaalsContact C-N 3.34Å; T362-H364 PolarHBondContact O-N 3.46Å; T362-L365 PolarHBondContact O-N 3.03Å; T362-V366 VanDerWaalsContact O-CG2 3.31Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.91Å; T362-L393 HydrophobicContact CG2-CD1 4.11Å
363A98.9Very high98.7Very high0 Ų021 Ų210%010%0.097CC..Hα-helixtrans-58.2-46.7176.300000111.7A12 A359 R360 I361 L365 V366 H367A12-A363 HydrophobicContact CB-CB 3.74Å; A359-A363 WeakPolarHBondContact O-CB 3.34Å; A359-A363 PolarHBondContact O-N 2.96Å; R360-A363 PolarHBondContact O-N 3.35Å; I361-A363 VanDerWaalsContact C-N 3.34Å; I361-A363 PolarHBondContact O-N 3.44Å; A363-L365 PolarHBondContact O-N 3.43Å; A363-V366 PolarHBondContact O-N 3.36Å; A363-H367 PolarHBondContact O-CD2 3.3Å; A363-H367 PolarHBondContact O-N 3.11Å
364H98.9Very high98.7Very high2 Ų221.5 Ų21.51%0.00910%0.101CC..Hα-helixtrans-59.5-48.9178.7-172.959.2000112.3F199 E202 E318 N344 R360 I361 T362 V366 H367 E368F199-H364 AromaticContact CD1-CE1 3.91Å; F199-H364 AromaticContact CD1-ND1 3.89Å; F199-H364 AromaticContact CE1-CE1 3.54Å; F199-H364 AromaticContact CE1-ND1 3.79Å; E202-H364 IonicContact OE1-ND1 3.27Å; E202-H364 WeakPolarHBondContact OE2-CA 3.33Å; E202-H364 IonicContact OE2-CE1 2.84Å; E202-H364 IonicContact OE2-CG 2.66Å; E202-H364 IonicContact OE2-ND1 3.4Å; E202-H364 PolarHBondContact OE2-ND1 3.36Å; E318-H364 IonicContact OE1-CD2 3.37Å; N344-H364 WeakPolarHBondContact CB-NE2 3.3Å; N344-H364 PolarHBondContact ND2-CE1 2.89Å; N344-H364 PolarHBondContact ND2-NE2 3.18Å; R360-H364 WeakPolarHBondContact O-CB 3.47Å; R360-H364 PolarHBondContact O-N 3.11Å; I361-H364 PolarHBondContact O-N 3.46Å; T362-H364 VanDerWaalsContact C-N 3.34Å; T362-H364 PolarHBondContact O-N 3.46Å; H364-V366 VanDerWaalsContact C-N 3.3Å; H364-V366 PolarHBondContact O-N 3Å; H364-H367 PolarHBondContact O-N 3.27Å; H364-E368 WeakPolarHBondContact O-CB 3.41Å; H364-E368 PolarHBondContact O-N 2.69Å
365L98.9Very high98.7Very high3 Ų326.2 Ų26.22%0.01612%0.121CC..Hα-helixtrans-59.9-39.7178.7-74179.9000112.4L316 E318 I361 T362 A363 H367 L369 A377 V378 G379 L393L316-L365 HydrophobicContact CB-CD2 3.88Å; L316-L365 HydrophobicContact CD1-CD2 4.43Å; E318-L365 HydrophobicContact CB-CD1 4.1Å; E318-L365 HydrophobicContact CB-CD2 4.12Å; E318-L365 HydrophobicContact CB-CG 4.19Å; E318-L365 HydrophobicContact CG-CD1 4.3Å; E318-L365 HydrophobicContact CG-CD2 3.51Å; E318-L365 HydrophobicContact CG-CG 3.84Å; I361-L365 HydrophobicContact CG2-CD1 4.06Å; I361-L365 HydrophobicContact CG2-CG 4.34Å; I361-L365 WeakPolarHBondContact O-CG 3.2Å; I361-L365 PolarHBondContact O-N 3.02Å; T362-L365 PolarHBondContact O-N 3.03Å; A363-L365 PolarHBondContact O-N 3.43Å; L365-H367 VanDerWaalsContact C-N 3.35Å; L365-H367 PolarHBondContact O-N 3.36Å; L365-L369 WeakPolarHBondContact O-CB 3.37Å; L365-L369 PolarHBondContact O-N 2.86Å; L365-A377 HydrophobicContact CB-CB 4.27Å; L365-A377 HydrophobicContact CD1-CB 4.21Å; L365-A377 HydrophobicContact CD2-CB 4.05Å; L365-A377 HydrophobicContact CG-CB 4.42Å; L365-V378 VanDerWaalsContact CD1-C 3.5Å; L365-G379 VanDerWaalsContact CD1-CA 3.4Å; L365-G379 VanDerWaalsContact CD1-N 3.33Å; L365-L393 HydrophobicContact CB-CD1 4.03Å
366V98.8Very high98.7Very high0 Ų027.8 Ų27.80%013%0.128CC..Hα-helixtrans-59.2-47.1176.5170.30000110.9I9 L276 A277 T362 A363 H364 R370 L393I9-V366 HydrophobicContact CD1-CG2 3.63Å; I9-V366 HydrophobicContact CG2-CG2 4.29Å; L276-V366 HydrophobicContact CB-CG1 3.49Å; L276-V366 VanDerWaalsContact CB-CG1 3.49Å; L276-V366 HydrophobicContact CD1-CG1 3.99Å; L276-V366 HydrophobicContact CG-CG1 4.39Å; A277-V366 HydrophobicContact CB-CG1 4.34Å; A277-V366 HydrophobicContact CB-CG2 3.95Å; T362-V366 VanDerWaalsContact O-CG2 3.31Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.91Å; A363-V366 PolarHBondContact O-N 3.36Å; H364-V366 VanDerWaalsContact C-N 3.3Å; H364-V366 PolarHBondContact O-N 3Å; V366-R370 WeakPolarHBondContact O-CD 3.34Å; V366-R370 WeakPolarHBondContact O-CG 3.44Å; V366-R370 PolarHBondContact O-N 3.36Å; V366-L393 HydrophobicContact CG2-CD1 3.88Å
367H98.9Very high98.7Very high31 Ų3127.8 Ų27.814%0.14413%0.128CC..Hα-helixtrans-73.3-45.4-178.4-69.7-66.5000112.5A12 A201 A363 H364 L365 R370 R371A12-H367 PolarHBondContact O-NE2 3Å; A201-H367 HydrophobicContact CB-CB 4.48Å; A363-H367 PolarHBondContact O-CD2 3.3Å; A363-H367 PolarHBondContact O-N 3.11Å; H364-H367 PolarHBondContact O-N 3.27Å; L365-H367 VanDerWaalsContact C-N 3.35Å; L365-H367 PolarHBondContact O-N 3.36Å; H367-R370 PolarHBondContact O-N 3.07Å; H367-R371 WeakPolarHBondContact O-CB 3.38Å; H367-R371 PolarHBondContact O-N 3.32Å
368E98.9Very high98.7Very high2 Ų227.9 Ų27.91%0.00913%0.128CC..Hα-helixtrans-70.4-37.8-176.5-176.862.2-177.700112.3L316 V343 N344 H364 R370 R371 R372L316-E368 HydrophobicContact CD1-CB 3.94Å; L316-E368 HydrophobicContact CD1-CG 3.62Å; L316-E368 HydrophobicContact CD2-CG 4.35Å; V343-E368 HydrophobicContact CG2-CG 4.14Å; N344-E368 WeakPolarHBondContact ND2-CG 3.35Å; N344-E368 PolarHBondContact ND2-OE1 3.11Å; N344-E368 PolarHBondContact ND2-OE2 3.5Å; H364-E368 WeakPolarHBondContact O-CB 3.41Å; H364-E368 PolarHBondContact O-N 2.69Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.05Å; E368-R371 PolarHBondContact O-N 3.4Å; E368-R371 IonicContact OE1-CZ 3.73Å; E368-R371 IonicContact OE1-NE 3.22Å; E368-R371 IonicContact OE1-NH2 3.18Å; E368-R371 PolarHBondContact OE1-NH2 3.1Å; E368-R371 IonicContact OE2-CZ 3.79Å; E368-R371 IonicContact OE2-NE 2.95Å; E368-R371 PolarHBondContact OE2-NE 2.94Å; E368-R371 IonicContact OE2-NH2 2.91Å; E368-R372 HydrophobicContact CG-CG 4.46Å; E368-R372 WeakPolarHBondContact O-CB 3.3Å; E368-R372 WeakPolarHBondContact O-CG 3.47Å; E368-R372 PolarHBondContact O-N 3.13Å; E368-R372 IonicContact OE1-CZ 2.56Å; E368-R372 IonicContact OE1-NE 2.64Å; E368-R372 PolarHBondContact OE1-NE 3.24Å; E368-R372 IonicContact OE1-NH2 3.82Å; E368-R372 PolarHBondContact OE1-NH2 3.42Å
369L98.8Very high98.7Very high2 Ų227.9 Ų27.91%0.0113%0.128CC..Hα-helixtrans-61.6-40.5175.3-173.365.4000110.9D315 L316 L365 G373 G374 A377 K395D315-L369 HydrophobicContact CB-CD1 4.04Å; L316-L369 HydrophobicContact CD1-CB 3.98Å; L316-L369 HydrophobicContact CD1-CD1 4.18Å; L316-L369 HydrophobicContact CG-CD1 4.49Å; L365-L369 WeakPolarHBondContact O-CB 3.37Å; L365-L369 PolarHBondContact O-N 2.86Å; L369-G373 PolarHBondContact O-N 2.66Å; L369-G373 VanDerWaalsContact O-N 3.16Å; L369-G374 PolarHBondContact O-N 3.22Å; L369-A377 HydrophobicContact CD1-CB 4.25Å; L369-A377 HydrophobicContact CD2-CB 3.95Å; L369-K395 HydrophobicContact CD2-CB 3.94Å; L369-K395 HydrophobicContact CG-CB 4.17Å
370R98.6Very high98.7Very high99 Ų9927.9 Ų27.937%0.37413%0.128SC..Hα-helixtrans-65.9-49.2174.7-70.8174.870.472.24.8111.6L276 V366 H367 E368 R372 G373 K395 C396L276-R370 PolarHBondContact O-NH1 2.97Å; V366-R370 WeakPolarHBondContact O-CD 3.34Å; V366-R370 WeakPolarHBondContact O-CG 3.44Å; V366-R370 PolarHBondContact O-N 3.36Å; H367-R370 PolarHBondContact O-N 3.07Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.05Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.4Å; R370-G373 PolarHBondContact O-N 2.98Å; R370-K395 HydrophobicContact CG-CD 4.19Å; R370-K395 HydrophobicContact CG-CG 3.91Å; R370-C396 PolarHBondContact NH1-O 2.87Å; R370-C396 VanDerWaalsContact NH1-O 3.11Å
371R98.6Very high98.7Very high123 Ų12327.8 Ų27.846%0.46413%0.128SC..Hα-helixtrans-57.8-41.1179.8-167.3-16569.178.71.2112H367 E368 G373H367-R371 WeakPolarHBondContact O-CB 3.38Å; H367-R371 PolarHBondContact O-N 3.32Å; E368-R371 PolarHBondContact O-N 3.4Å; E368-R371 IonicContact OE1-CZ 3.73Å; E368-R371 IonicContact OE1-NE 3.22Å; E368-R371 IonicContact OE1-NH2 3.18Å; E368-R371 PolarHBondContact OE1-NH2 3.1Å; E368-R371 IonicContact OE2-CZ 3.79Å; E368-R371 IonicContact OE2-NE 2.95Å; E368-R371 PolarHBondContact OE2-NE 2.94Å; E368-R371 IonicContact OE2-NH2 2.91Å; R371-G373 VanDerWaalsContact C-N 3.3Å
372R98Very high98.7Very high119 Ų11927.8 Ų27.845%0.44913%0.128SC..THydrogen-bonded Turntrans-78.6-11.5177.8-71.3-173.8177.9-111.1-7114.2E368 R370 G374E368-R372 HydrophobicContact CG-CG 4.46Å; E368-R372 WeakPolarHBondContact O-CB 3.3Å; E368-R372 WeakPolarHBondContact O-CG 3.47Å; E368-R372 PolarHBondContact O-N 3.13Å; E368-R372 IonicContact OE1-CZ 2.56Å; E368-R372 IonicContact OE1-NE 2.64Å; E368-R372 PolarHBondContact OE1-NE 3.24Å; E368-R372 IonicContact OE1-NH2 3.82Å; E368-R372 PolarHBondContact OE1-NH2 3.42Å; R370-R372 VanDerWaalsContact C-N 3.29Å; R370-R372 PolarHBondContact O-N 3.4Å; R372-G374 PolarHBondContact O-N 2.87Å
373G98Very high98.7Very high46 Ų4627.7 Ų27.747%0.47413%0.127SC..THydrogen-bonded Turntrans69.416-173.100000114L369 R370 R371 K395L369-G373 PolarHBondContact O-N 2.66Å; L369-G373 VanDerWaalsContact O-N 3.16Å; R370-G373 PolarHBondContact O-N 2.98Å; R371-G373 VanDerWaalsContact C-N 3.3Å; G373-K395 PolarHBondContact O-NZ 2.84Å
374G98.1Very high98.7Very high10 Ų1027.9 Ų27.910%0.10313%0.129CC..  trans-67.7175.117700000113.1L369 R372 K395L369-G374 PolarHBondContact O-N 3.22Å; R372-G374 PolarHBondContact O-N 2.87Å; G374-K395 VanDerWaalsContact O-CD 3.23Å; G374-K395 WeakPolarHBondContact O-CD 3.18Å; G374-K395 WeakPolarHBondContact O-CE 3.15Å; G374-K395 PolarHBondContact O-NZ 2.81Å
375K98.6Very high98.6Very high110 Ų11029.5 Ų29.548%0.47815%0.147SC..SBendtrans-109.6-51.3-178.2-170.6179.3-176.1-165.30112.6D315 E394 K395D315-K375 WeakPolarHBondContact OD2-CA 3.45Å; D315-K375 PolarHBondContact OD2-N 2.98Å; K375-E394 CarbonylContact O-C 3.58Å; K375-E394 VanDerWaalsContact O-CA 3.31Å; K375-E394 WeakPolarHBondContact O-CA 3.36Å; K375-K395 PolarHBondContact O-N 2.92Å
376Y98.9Very high98.6Very high33 Ų3329.6 Ų29.613%0.12915%0.148CC..EExtended strand (participates in β ladder)trans-122.5144.2-176.3-63.8-66.8000112.9V280 L309 M314 D315 L316 L393 E394V280-Y376 HydrophobicContact CG2-CE1 4.41Å; L309-Y376 HydrophobicContact CD1-CD1 3.99Å; L309-Y376 HydrophobicContact CD1-CD2 4.36Å; L309-Y376 HydrophobicContact CD1-CE1 4.08Å; L309-Y376 HydrophobicContact CD1-CE2 4.42Å; L309-Y376 HydrophobicContact CD1-CG 4.17Å; L309-Y376 HydrophobicContact CD2-CD2 4.42Å; L309-Y376 HydrophobicContact CD2-CE2 4.07Å; M314-Y376 VanDerWaalsContact CE-CB 3.43Å; M314-Y376 HydrophobicContact CE-CG 4.08Å; D315-Y376 WeakPolarHBondContact CB-O 3.4Å; D315-Y376 PolarHBondContact N-O 2.88Å; D315-Y376 PolarHBondContact OD2-N 3.41Å; D315-Y376 VanDerWaalsContact OD2-N 3.1Å; L316-Y376 PolarHBondContact N-O 3.27Å; Y376-L393 WeakPolarHBondContact CA-O 3.24Å; Y376-E394 HydrophobicContact CD1-CB 3.82Å; Y376-E394 HydrophobicContact CD1-CG 4.03Å; Y376-E394 HydrophobicContact CE1-CB 3.64Å; Y376-E394 HydrophobicContact CE1-CG 3.55Å; Y376-E394 VanDerWaalsContact CE1-OE1 3.22Å; Y376-E394 WeakPolarHBondContact CE1-OE1 2.9Å; Y376-E394 VanDerWaalsContact CZ-OE1 3.24Å; Y376-E394 PolarHBondContact OH-OE1 3.02Å
377A98.9Very high98.6Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-136.1154.9169.900000111.6L316 L365 L369 V392 L393L316-A377 HydrophobicContact CB-CB 3.92Å; L316-A377 CarbonylContact O-C 3.52Å; L316-A377 WeakPolarHBondContact O-CA 3.48Å; L365-A377 HydrophobicContact CB-CB 4.27Å; L365-A377 HydrophobicContact CD1-CB 4.21Å; L365-A377 HydrophobicContact CD2-CB 4.05Å; L365-A377 HydrophobicContact CG-CB 4.42Å; L369-A377 HydrophobicContact CD1-CB 4.25Å; L369-A377 HydrophobicContact CD2-CB 3.95Å; A377-V392 CarbonylContact O-C 3.57Å; A377-V392 WeakPolarHBondContact O-CA 3.37Å; A377-L393 PolarHBondContact N-O 3.08Å; A377-L393 PolarHBondContact O-N 2.6Å
378V98.9Very high98.6Very high1 Ų130.6 Ų30.61%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-129.2128.2169.762.50000110.6I300 M314 L316 V317 E318 L365 A390 I391 V392I300-V378 HydrophobicContact CG1-CG2 4.1Å; I300-V378 HydrophobicContact CG2-CG2 4.44Å; M314-V378 HydrophobicContact CG-CG1 3.86Å; M314-V378 HydrophobicContact SD-CB 3.89Å; M314-V378 HydrophobicContact SD-CG1 3.91Å; L316-V378 PolarHBondContact O-N 3.27Å; V317-V378 CarbonylContact C-O 3.5Å; V317-V378 WeakPolarHBondContact CA-O 3.18Å; V317-V378 HydrophobicContact CB-CG1 4.29Å; V317-V378 HydrophobicContact CG1-CG1 4.01Å; V317-V378 HydrophobicContact CG2-CG1 3.94Å; E318-V378 PolarHBondContact N-O 3.19Å; L365-V378 VanDerWaalsContact CD1-C 3.5Å; V378-A390 HydrophobicContact CG2-CB 4.24Å; V378-I391 WeakPolarHBondContact CA-O 3.32Å; V378-V392 HydrophobicContact CB-CG2 4.37Å; V378-V392 HydrophobicContact CG2-CG2 4.03Å
379G98.9Very high98.6Very high1 Ų130.5 Ų30.51%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-109139.1173.500000110.4E318 L365 A390 I391E318-G379 CarbonylContact O-C 3.57Å; E318-G379 WeakPolarHBondContact O-CA 3.43Å; L365-G379 VanDerWaalsContact CD1-CA 3.4Å; L365-G379 VanDerWaalsContact CD1-N 3.33Å; G379-A390 CarbonylContact O-C 3.36Å; G379-A390 VanDerWaalsContact O-CA 3.23Å; G379-A390 WeakPolarHBondContact O-CA 3.45Å; G379-I391 PolarHBondContact N-O 3.44Å; G379-I391 PolarHBondContact O-N 3.2Å
380S98.9Very high98.6Very high0 Ų030.4 Ų30.40%015%0.152CC..EExtended strand (participates in β ladder)trans-150.2159.6-177.171.30000113.7I300 E318 V319 N320 I389I300-S380 WeakPolarHBondContact CD1-OG 3.34Å; E318-S380 PolarHBondContact O-N 2.6Å; E318-S380 PolarHBondContact O-OG 2.87Å; E318-S380 VanDerWaalsContact O-OG 3.07Å; V319-S380 WeakPolarHBondContact CG2-OG 3.39Å; N320-S380 PolarHBondContact N-O 3.27Å; S380-I389 WeakPolarHBondContact CA-O 3.48Å; S380-I389 VanDerWaalsContact CB-O 3.24Å; S380-I389 WeakPolarHBondContact CB-O 3.44Å
381A98.9Very high98.6Very high0 Ų025.8 Ų25.80%013%0.134CC..EExtended strand (participates in β ladder)trans-145.2145.7170.900000111.5F96 N320 G388 I389F96-A381 HydrophobicContact CD2-CB 4.22Å; F96-A381 HydrophobicContact CE2-CB 3.81Å; N320-A381 HydrophobicContact CB-CB 3.83Å; A381-G388 WeakPolarHBondContact O-CA 3.42Å; A381-I389 HydrophobicContact CB-CG2 4.29Å; A381-I389 PolarHBondContact N-O 3.3Å; A381-I389 VanDerWaalsContact N-O 3.14Å; A381-I389 PolarHBondContact O-N 3.08Å; A381-I389 VanDerWaalsContact O-N 3.14Å
382C98.6Very high98.6Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-72.3158.9159.863.50000109.7C92 M292 P296C92-C382 VanDerWaalsContact CB-O 3.25Å; C92-C382 WeakPolarHBondContact CB-O 3.44Å; M292-C382 HydrophobicContact SD-CB 4.09Å; P296-C382 HydrophobicContact CG-CB 4.1Å
383I98.8Very high98.7Very high0 Ų014.4 Ų14.40%09%0.092CC..EExtended strand (participates in β ladder)trans-139.9125.5-174.8-55178.8000108.5R90 L91 G386 Q387 I389R90-I383 HydrophobicContact CG-CD1 3.87Å; R90-I383 HydrophobicContact CG-CG2 4.35Å; R90-I383 WeakPolarHBondContact O-CG2 3.36Å; L91-I383 HydrophobicContact CB-CG2 3.79Å; I383-G386 PolarHBondContact O-N 2.99Å; I383-Q387 HydrophobicContact CB-CB 3.82Å; I383-Q387 WeakPolarHBondContact CB-O 3.36Å; I383-Q387 HydrophobicContact CD1-CB 4.1Å; I383-Q387 HydrophobicContact CG1-CB 4.41Å; I383-Q387 HydrophobicContact CG2-CB 4.17Å; I383-Q387 PolarHBondContact N-O 3.33Å; I383-Q387 PolarHBondContact O-N 3.48Å; I383-I389 HydrophobicContact CD1-CB 4.04Å; I383-I389 HydrophobicContact CD1-CG2 3.86Å; I383-I389 HydrophobicContact CG1-CG2 4.42Å
384G97.9Very high98.7Very high4 Ų414 Ų144%0.0418%0.077CC..THydrogen-bonded Turntrans-51.1146.7174.700000112.1G386G384-G386 VanDerWaalsContact C-N 3.3Å
385G97.8Very high98.7Very high36 Ų3616.7 Ų16.737%0.3719%0.086SC..THydrogen-bonded Turntrans79.57.6-17100000114.7D154D154-G385 WeakPolarHBondContact OD2-CA 3.49Å
386G98.4Very high98.6Very high4 Ų415.4 Ų15.44%0.0419%0.09CC..THydrogen-bonded Turntrans88.956.6169.400000114.2G286 C287 I383 G384G286-G386 CarbonylContact C-O 3.56Å; G286-G386 WeakPolarHBondContact CA-O 3.49Å; C287-G386 PolarHBondContact N-O 3.5Å; C287-G386 WeakPolarHBondContact O-CA 3.43Å; C287-G386 VanDerWaalsContact O-O 3.05Å; I383-G386 PolarHBondContact O-N 2.99Å; G384-G386 VanDerWaalsContact C-N 3.3Å
387Q98.9Very high98.6Very high52 Ų5214.6 Ų14.624%0.2439%0.088CC..EExtended strand (participates in β ladder)trans-138.2168.7172.6-65.5168.773.800111.9S285 I383S285-Q387 CarbonylContact O-C 3.6Å; S285-Q387 WeakPolarHBondContact O-CA 3.4Å; S285-Q387 WeakPolarHBondContact O-CB 3.49Å; I383-Q387 HydrophobicContact CB-CB 3.82Å; I383-Q387 WeakPolarHBondContact CB-O 3.36Å; I383-Q387 HydrophobicContact CD1-CB 4.1Å; I383-Q387 HydrophobicContact CG1-CB 4.41Å; I383-Q387 HydrophobicContact CG2-CB 4.17Å; I383-Q387 PolarHBondContact N-O 3.33Å; I383-Q387 PolarHBondContact O-N 3.48Å
388G98.9Very high98.5Very high0 Ų015.3 Ų15.30%09%0.093CC..EExtended strand (participates in β ladder)trans-145.2156.6166.300000111.9V284 S285 A381V284-G388 CarbonylContact C-O 3.56Å; V284-G388 VanDerWaalsContact CA-O 3.31Å; V284-G388 WeakPolarHBondContact CA-O 3.38Å; V284-G388 WeakPolarHBondContact CG1-O 3.35Å; S285-G388 PolarHBondContact N-O 2.95Å; S285-G388 PolarHBondContact O-N 2.81Å; A381-G388 WeakPolarHBondContact O-CA 3.42Å
389I98.9Very high98.5Very high0 Ų016.1 Ų16.10%010%0.098CC..EExtended strand (participates in β ladder)trans-136.8144.3-178.9-173.9157.3000109.7F96 Q97 I100 H283 V284 S380 A381 I383F96-I389 HydrophobicContact CB-CD1 3.5Å; F96-I389 VanDerWaalsContact CB-CD1 3.5Å; F96-I389 HydrophobicContact CB-CG1 3.8Å; F96-I389 HydrophobicContact CB-CG2 4.04Å; F96-I389 HydrophobicContact CD2-CG2 3.61Å; F96-I389 HydrophobicContact CE2-CG2 4.39Å; F96-I389 HydrophobicContact CG-CG1 4.48Å; F96-I389 HydrophobicContact CG-CG2 4.13Å; Q97-I389 HydrophobicContact CB-CD1 4.2Å; I100-I389 HydrophobicContact CD1-CD1 3.57Å; I100-I389 HydrophobicContact CD1-CG1 3.86Å; H283-I389 WeakPolarHBondContact O-CA 3.06Å; V284-I389 HydrophobicContact CG2-CB 4.39Å; V284-I389 HydrophobicContact CG2-CD1 3.83Å; V284-I389 HydrophobicContact CG2-CG1 3.9Å; S380-I389 WeakPolarHBondContact CA-O 3.48Å; S380-I389 VanDerWaalsContact CB-O 3.24Å; S380-I389 WeakPolarHBondContact CB-O 3.44Å; A381-I389 HydrophobicContact CB-CG2 4.29Å; A381-I389 PolarHBondContact N-O 3.3Å; A381-I389 VanDerWaalsContact N-O 3.14Å; A381-I389 PolarHBondContact O-N 3.08Å; A381-I389 VanDerWaalsContact O-N 3.14Å; I383-I389 HydrophobicContact CD1-CB 4.04Å; I383-I389 HydrophobicContact CD1-CG2 3.86Å; I383-I389 HydrophobicContact CG1-CG2 4.42Å
390A98.9Very high98.5Very high0 Ų017 Ų170%010%0.103CC..EExtended strand (participates in β ladder)trans-143.9144.2174.200000111.8Y282 H283 A299 I300 A303 V378 G379Y282-A390 CarbonylContact C-O 3.57Å; Y282-A390 WeakPolarHBondContact CA-O 3.29Å; Y282-A390 VanDerWaalsContact CB-O 3.26Å; Y282-A390 WeakPolarHBondContact CB-O 3.14Å; H283-A390 PolarHBondContact N-O 3.5Å; H283-A390 PolarHBondContact O-N 3.38Å; A299-A390 HydrophobicContact CB-CB 4Å; I300-A390 HydrophobicContact CG1-CB 3.92Å; A303-A390 HydrophobicContact CB-CB 4.11Å; V378-A390 HydrophobicContact CG2-CB 4.24Å; G379-A390 CarbonylContact O-C 3.36Å; G379-A390 VanDerWaalsContact O-CA 3.23Å; G379-A390 WeakPolarHBondContact O-CA 3.45Å
391I98.9Very high98.5Very high2 Ų218.1 Ų18.11%0.0111%0.109CC..EExtended strand (participates in β ladder)trans-126.4130171.7-58.7-173.4000108.8F96 I99 I100 I279 V378 G379 L393F96-I391 HydrophobicContact CB-CD1 4.16Å; F96-I391 HydrophobicContact CD1-CD1 3.81Å; F96-I391 HydrophobicContact CD1-CG1 3.99Å; F96-I391 HydrophobicContact CG-CD1 4.48Å; I99-I391 HydrophobicContact CB-CD1 3.94Å; I99-I391 HydrophobicContact CD1-CD1 4.23Å; I99-I391 HydrophobicContact CG2-CD1 3.87Å; I100-I391 HydrophobicContact CD1-CG1 4.36Å; I100-I391 HydrophobicContact CG1-CD1 4Å; I100-I391 HydrophobicContact CG1-CG1 4.22Å; I279-I391 HydrophobicContact CG2-CG2 4.08Å; V378-I391 WeakPolarHBondContact CA-O 3.32Å; G379-I391 PolarHBondContact N-O 3.44Å; G379-I391 PolarHBondContact O-N 3.2Å; I391-L393 HydrophobicContact CG2-CD2 3.89Å; I391-L393 HydrophobicContact CG2-CG 4.43Å
392V98.9Very high98.4Very high0 Ų019.3 Ų19.30%012%0.117CC..EExtended strand (participates in β ladder)trans-100.2129.7174.6-176.40000109.2V280 S281 A303 L304 L309 M314 A377 V378V280-V392 HydrophobicContact CB-CB 4.29Å; V280-V392 HydrophobicContact CB-CG1 4.07Å; V280-V392 HydrophobicContact CG2-CG1 4.38Å; V280-V392 PolarHBondContact N-O 2.89Å; S281-V392 PolarHBondContact O-N 2.51Å; S281-V392 WeakPolarHBondContact OG-CB 3.49Å; S281-V392 WeakPolarHBondContact OG-CG2 3.29Å; A303-V392 HydrophobicContact CB-CG2 3.97Å; L304-V392 HydrophobicContact CD2-CG1 4.41Å; L304-V392 HydrophobicContact CD2-CG2 3.86Å; L304-V392 HydrophobicContact CG-CG2 4.44Å; L309-V392 HydrophobicContact CD1-CG1 4.15Å; M314-V392 HydrophobicContact SD-CG1 4.5Å; A377-V392 CarbonylContact O-C 3.57Å; A377-V392 WeakPolarHBondContact O-CA 3.37Å; V378-V392 HydrophobicContact CB-CG2 4.37Å; V378-V392 HydrophobicContact CG2-CG2 4.03Å
393L98.9Very high98.4Very high3 Ų320.6 Ų20.62%0.01613%0.125CC..EExtended strand (participates in β ladder)trans-115.5146.2-178.5-58.2176.7000110.6I9 R278 I279 T362 L365 V366 Y376 A377 I391I9-L393 HydrophobicContact CD1-CD2 3.77Å; R278-L393 CarbonylContact O-C 3.58Å; R278-L393 WeakPolarHBondContact O-CA 3.4Å; I279-L393 HydrophobicContact CG1-CD2 4.16Å; T362-L393 HydrophobicContact CG2-CD1 4.11Å; L365-L393 HydrophobicContact CB-CD1 4.03Å; V366-L393 HydrophobicContact CG2-CD1 3.88Å; Y376-L393 WeakPolarHBondContact CA-O 3.24Å; A377-L393 PolarHBondContact N-O 3.08Å; A377-L393 PolarHBondContact O-N 2.6Å; I391-L393 HydrophobicContact CG2-CD2 3.89Å; I391-L393 HydrophobicContact CG2-CG 4.43Å
394E98.8Very high98.4Very high37 Ų3722.2 Ų22.217%0.17314%0.135CC..EExtended strand (participates in β ladder)trans-119.3133.1167-177.7175.3-125.200109.3A277 R278 V280 K375 Y376 C396A277-E394 CarbonylContact C-O 3.58Å; A277-E394 WeakPolarHBondContact CA-O 3.35Å; A277-E394 WeakPolarHBondContact CB-O 3.31Å; R278-E394 HydrophobicContact CB-CB 4.47Å; R278-E394 IonicContact CZ-OE2 3.61Å; R278-E394 PolarHBondContact N-O 2.66Å; R278-E394 IonicContact NE-OE2 2.77Å; R278-E394 PolarHBondContact NE-OE2 2.77Å; R278-E394 IonicContact NH2-OE2 3.72Å; R278-E394 PolarHBondContact NH2-OE2 3.42Å; R278-E394 PolarHBondContact O-N 3.25Å; V280-E394 HydrophobicContact CG2-CB 3.51Å; K375-E394 CarbonylContact O-C 3.58Å; K375-E394 VanDerWaalsContact O-CA 3.31Å; K375-E394 WeakPolarHBondContact O-CA 3.36Å; Y376-E394 HydrophobicContact CD1-CB 3.82Å; Y376-E394 HydrophobicContact CD1-CG 4.03Å; Y376-E394 HydrophobicContact CE1-CB 3.64Å; Y376-E394 HydrophobicContact CE1-CG 3.55Å; Y376-E394 VanDerWaalsContact CE1-OE1 3.22Å; Y376-E394 WeakPolarHBondContact CE1-OE1 2.9Å; Y376-E394 VanDerWaalsContact CZ-OE1 3.24Å; Y376-E394 PolarHBondContact OH-OE1 3.02Å; E394-C396 PolarHBondContact O-N 2.86Å
395K98.3Very high98.5Very high68 Ų6823.8 Ų23.830%0.29614%0.143SC..EExtended strand (participates in β ladder)trans-63.1134.8174.9-173-17469.4-165.60110.5L369 R370 G373 G374 K375L369-K395 HydrophobicContact CD2-CB 3.94Å; L369-K395 HydrophobicContact CG-CB 4.17Å; R370-K395 HydrophobicContact CG-CD 4.19Å; R370-K395 HydrophobicContact CG-CG 3.91Å; G373-K395 PolarHBondContact O-NZ 2.84Å; G374-K395 VanDerWaalsContact O-CD 3.23Å; G374-K395 WeakPolarHBondContact O-CD 3.18Å; G374-K395 WeakPolarHBondContact O-CE 3.15Å; G374-K395 PolarHBondContact O-NZ 2.81Å; K375-K395 PolarHBondContact O-N 2.92Å
396C95.8Very high98.5Very high83 Ų8322.6 Ų22.656%0.56112%0.122SC*.  trans-88.40170.9-660000112.2P275 L276 R278 R370 E394P275-C396 HydrophobicContact CB-CB 3.95Å; P275-C396 HydrophobicContact CG-CB 4.1Å; L276-C396 PolarHBondContact O-N 3.19Å; R278-C396 PolarHBondContact N-SG 3.08Å; R278-C396 VanDerWaalsContact N-SG 3.44Å; R370-C396 PolarHBondContact NH1-O 2.87Å; R370-C396 VanDerWaalsContact NH1-O 3.11Å; E394-C396 PolarHBondContact O-N 2.86Å

Retrieved 396 of 396 residues in 549.2 ms (Link to these results)

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