A0A3B3UVC6_9TELE Loading...

Prostaglandin reductase 1

AlphaFold DB , UniProt , Accession A0A3B3UVC6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 329 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
1M79.8Confident95.9Very high147 Ų14753.8 Ų53.872%0.72426%0.258SS*.  01250-63.8-153.1-66.700109.3E28 L29 E31M1-E28 VanDerWaalsContact CE-OE2 3.28Å; M1-E28 WeakPolarHBondContact CE-OE2 3.11Å; M1-L29 WeakPolarHBondContact CA-O 3.17Å; M1-E31 PolarHBondContact N-OE1 3.21Å
2V93.8Very high96Very high37 Ų3754.3 Ų54.322%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-111.9137.7-177.6172.90000108.5L29 L38 H95V2-L29 PolarHBondContact N-O 3.35Å; V2-L29 PolarHBondContact O-N 3.3Å; V2-L38 HydrophobicContact CB-CD2 4.3Å; V2-L38 HydrophobicContact CG2-CD2 3.88Å; V2-H95 HydrophobicContact CG1-CB 4.27Å
3Q96.8Very high96Very high123 Ų12350.1 Ų50.158%0.57524%0.239SC*.EExtended strand (participates in β ladder)trans-79.3124.8173.9-72.7-171.8-16.300110.7E27 E28 H95Q3-E27 CarbonylContact C-O 3.01Å; Q3-E27 WeakPolarHBondContact CA-O 3.46Å; Q3-E28 HydrophobicContact CG-CG 4.24Å; Q3-H95 PolarHBondContact O-ND1 3.44Å
4S98.1Very high95.8Very high0 Ų053.9 Ų53.90%026%0.262CS..EExtended strand (participates in β ladder)trans-105.2133.2171.6-172.80000110.4V26 E27 H95S4-V26 WeakPolarHBondContact O-CA 3.33Å; S4-E27 PolarHBondContact N-O 3.25Å; S4-E27 PolarHBondContact O-N 2.92Å; S4-H95 PolarHBondContact OG-N 3Å; S4-H95 PolarHBondContact OG-O 2.7Å
5K98.6Very high95.7Very high74 Ų7450.9 Ų50.932%0.32225%0.25SS..EExtended strand (participates in β ladder)trans-99.6138.7167.6-62.3179.1180171.10107.9L24 K25 V26 K93 T94 F306 E307K5-L24 HydrophobicContact CB-CD1 4.13Å; K5-K25 CarbonylContact C-O 3.55Å; K5-K25 WeakPolarHBondContact CA-O 3.28Å; K5-V26 HydrophobicContact CG-CG2 4.3Å; K5-K93 CarbonylContact O-C 3.57Å; K5-K93 VanDerWaalsContact O-CA 3.24Å; K5-K93 WeakPolarHBondContact O-CA 3.28Å; K5-T94 HydrophobicContact CB-CG2 3.91Å; K5-T94 PolarHBondContact N-OG1 3.37Å; K5-T94 PolarHBondContact O-N 3.21Å; K5-F306 HydrophobicContact CB-CD1 3.89Å; K5-F306 HydrophobicContact CB-CE1 3.65Å; K5-F306 HydrophobicContact CD-CD1 4.41Å; K5-F306 WeakPolarHBondContact O-CZ 3.38Å; K5-E307 IonicContact NZ-OE1 2.79Å; K5-E307 PolarHBondContact NZ-OE1 3.34Å
6S98.5Very high95.7Very high4 Ų451.6 Ų51.63%0.02825%0.252CS..EExtended strand (participates in β ladder)trans-139.5141.7176.561.60000111.5L24 K25 W92S6-L24 WeakPolarHBondContact O-CA 3.33Å; S6-K25 PolarHBondContact N-O 3.02Å; S6-K25 PolarHBondContact O-N 2.68Å; S6-W92 VanDerWaalsContact CA-O 3.29Å; S6-W92 WeakPolarHBondContact CA-O 3.34Å
7W98.6Very high95.8Very high33 Ų3348.6 Ų48.613%0.12524%0.238CC..EExtended strand (participates in β ladder)trans-92.9124.2170-79.2106.5000109.2F22 Q23 L24 V63 M64 W92 F306 E307 P310W7-F22 HydrophobicContact CE3-CB 3.72Å; W7-F22 HydrophobicContact CZ3-CB 3.87Å; W7-Q23 VanDerWaalsContact CE3-C 3.41Å; W7-L24 HydrophobicContact CD2-CB 4.32Å; W7-L24 HydrophobicContact CD2-CD1 4.1Å; W7-L24 HydrophobicContact CE3-CB 4.06Å; W7-L24 HydrophobicContact CG-CD1 4.39Å; W7-L24 HydrophobicContact CH2-CB 3.83Å; W7-L24 HydrophobicContact CZ2-CB 4.05Å; W7-L24 HydrophobicContact CZ2-CD1 4.19Å; W7-L24 HydrophobicContact CZ3-CB 3.84Å; W7-L24 VanDerWaalsContact CZ3-N 3.31Å; W7-V63 CarbonylContact O-C 3.58Å; W7-V63 WeakPolarHBondContact O-CA 3.3Å; W7-M64 PolarHBondContact O-N 2.93Å; W7-W92 HydrophobicContact CB-CB 4Å; W7-W92 HydrophobicContact CB-CE3 3.73Å; W7-W92 HydrophobicContact CG-CE3 4.1Å; W7-W92 PolarHBondContact N-O 3.29Å; W7-F306 AromaticContact CD1-CE1 3.5Å; W7-F306 VanDerWaalsContact CD1-CE1 3.5Å; W7-F306 AromaticContact CD1-CZ 3.53Å; W7-F306 HydrophobicContact CG-CE1 4.43Å; W7-F306 HydrophobicContact CG-CZ 4.43Å; W7-F306 AromaticContact NE1-CE1 3.77Å; W7-F306 PolarHBondContact NE1-O 2.96Å; W7-E307 VanDerWaalsContact CZ2-O 3.28Å; W7-E307 WeakPolarHBondContact CZ2-O 3.35Å; W7-P310 HydrophobicContact CD2-CG 3.76Å; W7-P310 HydrophobicContact CE3-CG 3.83Å; W7-P310 HydrophobicContact CG-CG 4.41Å; W7-P310 HydrophobicContact CH2-CG 3.89Å; W7-P310 HydrophobicContact CZ2-CG 3.84Å; W7-P310 HydrophobicContact CZ3-CG 3.88Å
8V98.4Very high95.9Very high3 Ų352.7 Ų52.72%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-105.7135.5178.71690000109.7V10 F22 Q23 K25 G61 D62 V63V8-V10 HydrophobicContact CG1-CG1 4.24Å; V8-V10 PolarHBondContact O-N 3.39Å; V8-F22 CarbonylContact O-C 3.56Å; V8-F22 WeakPolarHBondContact O-CA 3.18Å; V8-Q23 PolarHBondContact N-O 3.38Å; V8-Q23 PolarHBondContact O-N 2.97Å; V8-K25 HydrophobicContact CG2-CD 3.81Å; V8-K25 HydrophobicContact CG2-CG 4.11Å; V8-G61 VanDerWaalsContact CG1-C 3.42Å; V8-G61 WeakPolarHBondContact CG1-O 3.34Å; V8-D62 CarbonylContact C-O 3.49Å; V8-D62 WeakPolarHBondContact CA-O 3.2Å; V8-D62 WeakPolarHBondContact CG1-O 3.22Å; V8-V63 HydrophobicContact CG2-CG2 4.22Å
9M98.3Very high96Very high0 Ų056 Ų560%027%0.273CS..EExtended strand (participates in β ladder)trans-77.6103.4169.2-176.1-172.972.800108.5K11 H12 F13 D21 S54 M58 K59 G61 D62 M64M9-K11 WeakPolarHBondContact CG-O 3.34Å; M9-H12 WeakPolarHBondContact CE-ND1 3.49Å; M9-F13 HydrophobicContact CG-CE1 4.39Å; M9-F13 HydrophobicContact CG-CZ 4.46Å; M9-D21 CarbonylContact C-O 3.22Å; M9-D21 WeakPolarHBondContact CA-O 3.29Å; M9-S54 VanDerWaalsContact SD-CB 3.57Å; M9-S54 PolarHBondContact SD-OG 3.25Å; M9-M58 HydrophobicContact CB-CE 3.82Å; M9-M58 HydrophobicContact CE-CB 3.64Å; M9-M58 HydrophobicContact CE-CE 4.1Å; M9-M58 HydrophobicContact SD-CB 4.37Å; M9-M58 HydrophobicContact SD-CE 3.97Å; M9-M58 HydrophobicContact SD-SD 4.2Å; M9-K59 VanDerWaalsContact CE-O 3.29Å; M9-K59 WeakPolarHBondContact CE-O 3.32Å; M9-G61 PolarHBondContact O-N 3.45Å; M9-D62 PolarHBondContact N-O 3.31Å; M9-M64 HydrophobicContact CB-CG 4.29Å; M9-M64 HydrophobicContact CB-SD 3.76Å; M9-M64 HydrophobicContact CG-SD 4.26Å
10V97.7Very high96.1Very high46 Ų4657.3 Ų57.328%0.27929%0.288SS..  trans-83.6-20.5-178.9-66.20000112.9V8 S20 D21 Q23V8-V10 HydrophobicContact CG1-CG1 4.24Å; V8-V10 PolarHBondContact O-N 3.39Å; V10-S20 VanDerWaalsContact CG2-O 3.22Å; V10-S20 WeakPolarHBondContact CG2-O 3.25Å; V10-D21 VanDerWaalsContact CG2-C 3.5Å; V10-D21 WeakPolarHBondContact CG2-O 3.33Å; V10-D21 PolarHBondContact N-O 3.42Å; V10-Q23 HydrophobicContact CG1-CB 3.46Å; V10-Q23 VanDerWaalsContact CG1-CB 3.46Å; V10-Q23 HydrophobicContact CG1-CG 4.49Å
11K96.4Very high96.2Very high125 Ų12555.1 Ų55.154%0.54328%0.277SS..SBendtrans-142.2146.8175-71.2-173.8179.2178.70110.7M9 E60M9-K11 WeakPolarHBondContact CG-O 3.34Å; K11-E60 WeakPolarHBondContact CA-OE1 3.31Å
12H97.1Very high97.1Very high59 Ų5948.8 Ų48.827%0.27325%0.246SC..  trans-61.5140169.1-75.3-53.1000111.6M9 D14 S54 K55 M58 E60M9-H12 WeakPolarHBondContact CE-ND1 3.49Å; H12-D14 PolarHBondContact O-N 2.72Å; H12-D14 VanDerWaalsContact O-N 3.13Å; H12-S54 WeakPolarHBondContact CA-OG 3.45Å; H12-S54 PolarHBondContact CE1-O 2.83Å; H12-S54 PolarHBondContact ND1-O 3.17Å; H12-S54 PolarHBondContact ND1-OG 2.98Å; H12-K55 HydrophobicContact CB-CG 4.07Å; H12-M58 PolarHBondContact CE1-O 3Å; H12-M58 VanDerWaalsContact CE1-O 3.27Å; H12-E60 IonicContact CD2-OE1 3.87Å; H12-E60 PolarHBondContact N-OE1 2.73Å; H12-E60 VanDerWaalsContact N-OE1 3.07Å
13F96.3Very high97.3Very high0 Ų051.6 Ų51.60%026%0.256CS..  trans-65.1115.3175.6-52.4-40.2000110.6M9 P17 D21 F22 R51 S54 K55 M64 F313M9-F13 HydrophobicContact CG-CE1 4.39Å; M9-F13 HydrophobicContact CG-CZ 4.46Å; F13-P17 HydrophobicContact CB-CG 4.34Å; F13-P17 HydrophobicContact CD1-CB 3.78Å; F13-P17 HydrophobicContact CD1-CG 4.11Å; F13-P17 HydrophobicContact CD2-CG 4.13Å; F13-P17 HydrophobicContact CE1-CB 4.03Å; F13-P17 HydrophobicContact CE1-CG 4.5Å; F13-P17 HydrophobicContact CG-CB 4.13Å; F13-P17 HydrophobicContact CG-CG 3.92Å; F13-D21 HydrophobicContact CD1-CB 3.82Å; F13-D21 HydrophobicContact CE1-CB 3.75Å; F13-F22 AromaticContact CE1-CE1 3.75Å; F13-F22 HydrophobicContact CE1-CE1 3.75Å; F13-F22 AromaticContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CE2 3.96Å; F13-F22 AromaticContact CE1-CZ 3.36Å; F13-F22 HydrophobicContact CE1-CZ 3.36Å; F13-F22 AromaticContact CZ-CE1 3.55Å; F13-F22 HydrophobicContact CZ-CE1 3.55Å; F13-F22 HydrophobicContact CZ-CE2 4.42Å; F13-F22 AromaticContact CZ-CZ 3.4Å; F13-F22 HydrophobicContact CZ-CZ 3.4Å; F13-F22 VanDerWaalsContact CZ-CZ 3.4Å; F13-R51 HydrophobicContact CD2-CG 4.33Å; F13-R51 PolarHBondContact O-NH2 3.17Å; F13-S54 PolarHBondContact N-OG 3.46Å; F13-K55 WeakPolarHBondContact O-CE 3.41Å; F13-M64 HydrophobicContact CE2-CE 4.16Å; F13-M64 HydrophobicContact CE2-SD 4.35Å; F13-M64 HydrophobicContact CZ-CE 3.95Å; F13-M64 HydrophobicContact CZ-SD 3.77Å; F13-F313 AromaticContact CE2-CE1 3.88Å; F13-F313 HydrophobicContact CE2-CE1 3.88Å; F13-F313 HydrophobicContact CE2-CZ 4.31Å; F13-F313 HydrophobicContact CZ-CE1 4.07Å
14D93Very high97.4Very high103 Ų10348.8 Ų48.855%0.55125%0.245SC*.  trans-106112.3169.7-164.638.6000110H12 K55H12-D14 PolarHBondContact O-N 2.72Å; H12-D14 VanDerWaalsContact O-N 3.13Å; D14-K55 IonicContact OD1-NZ 3.61Å; D14-K55 PolarHBondContact OD1-NZ 3.07Å
15G94.1Very high97.4Very high9 Ų953.2 Ų53.29%0.09326%0.264CS..SBendtrans67.8-131.1-165.400000113.1R51 H247G15-R51 PolarHBondContact O-NE 2.86Å; G15-R51 VanDerWaalsContact O-NE 3.08Å; G15-R51 PolarHBondContact O-NH2 3.47Å; G15-H247 WeakPolarHBondContact CA-O 3.35Å; G15-H247 PolarHBondContact O-ND1 2.92Å; G15-H247 VanDerWaalsContact O-ND1 3.1Å
16F96.6Very high97.3Very high63 Ų6353.7 Ų53.728%0.27627%0.273SS..SBendtrans-77.6133.5176.2-168-93.6000110.7H247 M314 L317 Q318F16-H247 AromaticContact CD2-CD2 3.88Å; F16-H247 AromaticContact CD2-CE1 3.61Å; F16-H247 AromaticContact CD2-NE2 3.51Å; F16-H247 AromaticContact CE2-NE2 3.88Å; F16-M314 HydrophobicContact CE1-CB 3.97Å; F16-M314 HydrophobicContact CE1-CG 4.02Å; F16-M314 HydrophobicContact CE1-SD 4.2Å; F16-M314 HydrophobicContact CZ-CB 3.92Å; F16-M314 HydrophobicContact CZ-CG 4.32Å; F16-M314 WeakPolarHBondContact CZ-O 3.34Å; F16-L317 HydrophobicContact CE2-CB 3.74Å; F16-L317 HydrophobicContact CE2-CD1 4.47Å; F16-L317 HydrophobicContact CZ-CB 4.28Å; F16-Q318 HydrophobicContact CE2-CG 3.76Å; F16-Q318 HydrophobicContact CZ-CG 3.59Å
17P97.3Very high97.3Very high1 Ų157.3 Ų57.31%0.00629%0.289CS..  trans-57.9150.9177.3-22.332.1000112.6F13 F22 R51 F313 M314 L317F13-P17 HydrophobicContact CB-CG 4.34Å; F13-P17 HydrophobicContact CD1-CB 3.78Å; F13-P17 HydrophobicContact CD1-CG 4.11Å; F13-P17 HydrophobicContact CD2-CG 4.13Å; F13-P17 HydrophobicContact CE1-CB 4.03Å; F13-P17 HydrophobicContact CE1-CG 4.5Å; F13-P17 HydrophobicContact CG-CB 4.13Å; F13-P17 HydrophobicContact CG-CG 3.92Å; P17-F22 HydrophobicContact CB-CE2 4.16Å; P17-F22 HydrophobicContact CB-CZ 4.25Å; P17-R51 HydrophobicContact CG-CG 4.17Å; P17-F313 HydrophobicContact CB-CE1 4.28Å; P17-F313 HydrophobicContact CG-CD1 4.49Å; P17-F313 HydrophobicContact CG-CE1 3.78Å; P17-F313 HydrophobicContact CG-CZ 4.46Å; P17-M314 HydrophobicContact CB-CG 4.23Å; P17-L317 HydrophobicContact CG-CD1 3.84Å
18K97.2Very high97.2Very high122 Ų12261.3 Ų61.353%0.5331%0.309SS..  trans-130.2158.1-179.6-56.4168.6-168.9168.60109.7S20 D21 F22K18-S20 PolarHBondContact O-N 3.31Å; K18-S20 VanDerWaalsContact O-N 3.12Å; K18-D21 PolarHBondContact N-OD2 3.45Å; K18-D21 VanDerWaalsContact O-CB 3.29Å; K18-D21 WeakPolarHBondContact O-CB 3.41Å; K18-D21 PolarHBondContact O-N 2.72Å; K18-F22 VanDerWaalsContact O-CD2 3.24Å; K18-F22 WeakPolarHBondContact O-CD2 3.28Å; K18-F22 WeakPolarHBondContact O-CE2 3.26Å
19D97.4Very high97.2Very high115 Ų11561.9 Ų61.962%0.61531%0.312SS*.G310 helixtrans-53.9-35.8175.7-67.5-41.9000112.5D21 F22 M314D19-D21 PolarHBondContact O-N 3.12Å; D19-D21 VanDerWaalsContact O-N 3.13Å; D19-F22 PolarHBondContact O-N 2.94Å; D19-F22 VanDerWaalsContact O-N 3.1Å; D19-M314 WeakPolarHBondContact OD1-CE 3.42Å
20S97.6Very high97.1Very high82 Ų8265.5 Ų65.557%0.57334%0.336SS*.G310 helixtrans-64-14.2177.559.70000114.9V10 K18 F22V10-S20 VanDerWaalsContact CG2-O 3.22Å; V10-S20 WeakPolarHBondContact CG2-O 3.25Å; K18-S20 PolarHBondContact O-N 3.31Å; K18-S20 VanDerWaalsContact O-N 3.12Å; S20-F22 VanDerWaalsContact C-N 3.27Å
21D98.1Very high97Very high12 Ų1267.7 Ų67.76%0.06434%0.343CS..G310 helixtrans-83.8-9.4178.7-54.8-23.9000111.5M9 V10 F13 K18 D19M9-D21 CarbonylContact C-O 3.22Å; M9-D21 WeakPolarHBondContact CA-O 3.29Å; V10-D21 VanDerWaalsContact CG2-C 3.5Å; V10-D21 WeakPolarHBondContact CG2-O 3.33Å; V10-D21 PolarHBondContact N-O 3.42Å; F13-D21 HydrophobicContact CD1-CB 3.82Å; F13-D21 HydrophobicContact CE1-CB 3.75Å; K18-D21 PolarHBondContact N-OD2 3.45Å; K18-D21 VanDerWaalsContact O-CB 3.29Å; K18-D21 WeakPolarHBondContact O-CB 3.41Å; K18-D21 PolarHBondContact O-N 2.72Å; D19-D21 PolarHBondContact O-N 3.12Å; D19-D21 VanDerWaalsContact O-N 3.13Å
22F98.4Very high97.1Very high14 Ų1461.9 Ų61.96%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-119.3144.3-176.6-54.2-85000112.1W7 V8 F13 P17 K18 D19 S20 M64 W92 P310 F313W7-F22 HydrophobicContact CE3-CB 3.72Å; W7-F22 HydrophobicContact CZ3-CB 3.87Å; V8-F22 CarbonylContact O-C 3.56Å; V8-F22 WeakPolarHBondContact O-CA 3.18Å; F13-F22 AromaticContact CE1-CE1 3.75Å; F13-F22 HydrophobicContact CE1-CE1 3.75Å; F13-F22 AromaticContact CE1-CE2 3.96Å; F13-F22 HydrophobicContact CE1-CE2 3.96Å; F13-F22 AromaticContact CE1-CZ 3.36Å; F13-F22 HydrophobicContact CE1-CZ 3.36Å; F13-F22 AromaticContact CZ-CE1 3.55Å; F13-F22 HydrophobicContact CZ-CE1 3.55Å; F13-F22 HydrophobicContact CZ-CE2 4.42Å; F13-F22 AromaticContact CZ-CZ 3.4Å; F13-F22 HydrophobicContact CZ-CZ 3.4Å; F13-F22 VanDerWaalsContact CZ-CZ 3.4Å; P17-F22 HydrophobicContact CB-CE2 4.16Å; P17-F22 HydrophobicContact CB-CZ 4.25Å; K18-F22 VanDerWaalsContact O-CD2 3.24Å; K18-F22 WeakPolarHBondContact O-CD2 3.28Å; K18-F22 WeakPolarHBondContact O-CE2 3.26Å; D19-F22 PolarHBondContact O-N 2.94Å; D19-F22 VanDerWaalsContact O-N 3.1Å; S20-F22 VanDerWaalsContact C-N 3.27Å; F22-M64 HydrophobicContact CD1-CG 3.86Å; F22-M64 HydrophobicContact CD1-SD 4.38Å; F22-M64 HydrophobicContact CE1-CE 4.16Å; F22-M64 HydrophobicContact CE1-CG 3.79Å; F22-M64 HydrophobicContact CE1-SD 3.84Å; F22-W92 HydrophobicContact CD1-CZ3 4.07Å; F22-W92 HydrophobicContact CE1-CH2 4.09Å; F22-W92 AromaticContact CE1-CZ3 3.76Å; F22-W92 HydrophobicContact CE1-CZ3 3.76Å; F22-P310 HydrophobicContact CB-CB 4.45Å; F22-P310 HydrophobicContact CB-CG 4.02Å; F22-P310 HydrophobicContact CD1-CG 4.35Å; F22-P310 HydrophobicContact CD2-CB 3.79Å; F22-P310 HydrophobicContact CD2-CG 4.25Å; F22-P310 HydrophobicContact CE2-CB 4.13Å; F22-P310 HydrophobicContact CG-CB 4.02Å; F22-P310 HydrophobicContact CG-CG 3.96Å; F22-F313 AromaticContact CZ-CD1 3.91Å; F22-F313 HydrophobicContact CZ-CD1 3.91Å; F22-F313 HydrophobicContact CZ-CE1 4.21Å
23Q98.5Very high97.1Very high95 Ų9565.8 Ų65.844%0.44433%0.334SS..EExtended strand (participates in β ladder)trans-134.3128.6171-177.4-178.644.700110.6W7 V8 V10 K25W7-Q23 VanDerWaalsContact CE3-C 3.41Å; V8-Q23 PolarHBondContact N-O 3.38Å; V8-Q23 PolarHBondContact O-N 2.97Å; V10-Q23 HydrophobicContact CG1-CB 3.46Å; V10-Q23 VanDerWaalsContact CG1-CB 3.46Å; V10-Q23 HydrophobicContact CG1-CG 4.49Å; Q23-K25 HydrophobicContact CG-CG 4.49Å; Q23-K25 VanDerWaalsContact OE1-CE 3.25Å
24L98.6Very high97.1Very high64 Ų6472.8 Ų72.834%0.33537%0.372SS..EExtended strand (participates in β ladder)trans-78.6123.6171.4-173.664.8000109.3K5 S6 W7 F306 E307K5-L24 HydrophobicContact CB-CD1 4.13Å; S6-L24 WeakPolarHBondContact O-CA 3.33Å; W7-L24 HydrophobicContact CD2-CB 4.32Å; W7-L24 HydrophobicContact CD2-CD1 4.1Å; W7-L24 HydrophobicContact CE3-CB 4.06Å; W7-L24 HydrophobicContact CG-CD1 4.39Å; W7-L24 HydrophobicContact CH2-CB 3.83Å; W7-L24 HydrophobicContact CZ2-CB 4.05Å; W7-L24 HydrophobicContact CZ2-CD1 4.19Å; W7-L24 HydrophobicContact CZ3-CB 3.84Å; W7-L24 VanDerWaalsContact CZ3-N 3.31Å; L24-F306 HydrophobicContact CD1-CD1 4.21Å; L24-F306 HydrophobicContact CD1-CE1 3.73Å; L24-E307 HydrophobicContact CD2-CG 4.39Å
25K98.3Very high97.3Very high93 Ų9369.4 Ų69.440%0.40436%0.361SS..EExtended strand (participates in β ladder)trans-113.9145.2172.7-65.7-166.4-176.2174.10110.4K5 S6 V8 Q23K5-K25 CarbonylContact C-O 3.55Å; K5-K25 WeakPolarHBondContact CA-O 3.28Å; S6-K25 PolarHBondContact N-O 3.02Å; S6-K25 PolarHBondContact O-N 2.68Å; V8-K25 HydrophobicContact CG2-CD 3.81Å; V8-K25 HydrophobicContact CG2-CG 4.11Å; Q23-K25 HydrophobicContact CG-CG 4.49Å; Q23-K25 VanDerWaalsContact OE1-CE 3.25Å
26V98.2Very high97.5Very high85 Ų8571.1 Ų71.152%0.51537%0.367SS..EExtended strand (participates in β ladder)trans-118.6129.4173.8-172.10000108.2S4 K5S4-V26 WeakPolarHBondContact O-CA 3.33Å; K5-V26 HydrophobicContact CG-CG2 4.3Å
27E96.6Very high97.6Very high79 Ų7968.1 Ų68.137%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-134149.9178.165.4-174.1170.100110.8Q3 S4 L29 K93Q3-E27 CarbonylContact C-O 3.01Å; Q3-E27 WeakPolarHBondContact CA-O 3.46Å; S4-E27 PolarHBondContact N-O 3.25Å; S4-E27 PolarHBondContact O-N 2.92Å; E27-L29 HydrophobicContact CG-CD2 4.12Å; E27-K93 IonicContact OE1-NZ 2.81Å; E27-K93 PolarHBondContact OE1-NZ 3.41Å
28E97.6Very high97.6Very high117 Ų11768.2 Ų68.255%0.54735%0.354SS..EExtended strand (participates in β ladder)trans-89.3122.8168.4-70.8-170.3161.900109.4M1 Q3M1-E28 VanDerWaalsContact CE-OE2 3.28Å; M1-E28 WeakPolarHBondContact CE-OE2 3.11Å; Q3-E28 HydrophobicContact CG-CG 4.24Å
29L97.4Very high97.7Very high15 Ų1562.4 Ų62.48%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-84.9138176.1-63.4-179000110.5M1 V2 E27 L38 H95 I97M1-L29 WeakPolarHBondContact CA-O 3.17Å; V2-L29 PolarHBondContact N-O 3.35Å; V2-L29 PolarHBondContact O-N 3.3Å; E27-L29 HydrophobicContact CG-CD2 4.12Å; L29-L38 HydrophobicContact CD1-CD1 3.82Å; L29-H95 HydrophobicContact CD1-CB 3.75Å; L29-I97 HydrophobicContact CB-CD1 4.37Å; L29-I97 HydrophobicContact CD1-CG1 4.49Å
30P96.8Very high97.8Very high76 Ų7660.5 Ų60.549%0.49432%0.316SS..PPolyproline II helixtrans-68.5172.5171.231.9-35.1000110.7I97P30-I97 HydrophobicContact CG-CD1 3.71Å; P30-I97 VanDerWaalsContact O-CD1 3.3Å; P30-I97 WeakPolarHBondContact O-CD1 3.46Å
31E96.2Very high97.8Very high92 Ų9256.7 Ų56.743%0.4329%0.29SS..PPolyproline II helixtrans-70.4143.8169.2-60.4-64.8135.100110.1M1 Q74M1-E31 PolarHBondContact N-OE1 3.21Å; E31-Q74 PolarHBondContact OE2-NE2 3.37Å; E31-Q74 PolarHBondContact OE2-OE1 3.35Å; E31-Q74 VanDerWaalsContact OE2-OE1 3.13Å
32P97Very high97.8Very high3 Ų358 Ų582%0.01930%0.298CS..PPolyproline II helixtrans-61.4142.1179.222.3-30.4000111.6E36 L38 Q74 K76P32-E36 HydrophobicContact CB-CB 3.89Å; P32-L38 HydrophobicContact CG-CB 4.24Å; P32-Q74 HydrophobicContact CG-CB 4.01Å; P32-K76 VanDerWaalsContact O-CD 3.25Å; P32-K76 WeakPolarHBondContact O-CD 3.49Å; P32-K76 WeakPolarHBondContact O-CE 3.31Å; P32-K76 PolarHBondContact O-NZ 3.01Å
33K97.6Very high97.8Very high142 Ų14259.1 Ų59.162%0.61730%0.303SS*.  trans-85.4174.7174.1-58.5171.1-175.91690110.9G35 E36 K76K33-G35 PolarHBondContact O-N 3.39Å; K33-E36 HydrophobicContact CB-CG 4.28Å; K33-E36 VanDerWaalsContact CB-OE2 3.27Å; K33-E36 WeakPolarHBondContact CB-OE2 3.36Å; K33-E36 WeakPolarHBondContact CG-OE2 2.99Å; K33-E36 PolarHBondContact N-OE2 3.46Å; K33-E36 WeakPolarHBondContact O-CB 3.42Å; K33-E36 PolarHBondContact O-N 3.22Å; K33-K76 WeakPolarHBondContact O-CB 3.42Å
34N97.6Very high97.8Very high147 Ų14754.6 Ų54.679%0.78628%0.282SS*.THydrogen-bonded Turntrans-57.9131.2176.6-70.7-10000110.7E36N34-E36 VanDerWaalsContact C-N 3.25Å; N34-E36 PolarHBondContact O-N 3.39Å
35G96.8Very high97.8Very high31 Ų3151.6 Ų51.632%0.3227%0.266SS..THydrogen-bonded Turntrans84.3-9.9-174.200000114.5K33 K76 N77 D99K33-G35 PolarHBondContact O-N 3.39Å; G35-K76 PolarHBondContact N-O 2.88Å; G35-N77 WeakPolarHBondContact O-CB 3.45Å; G35-N77 PolarHBondContact O-ND2 2.93Å; G35-D99 CarbonylContact O-C 3.59Å
36E98.1Very high97.8Very high46 Ų4647.3 Ų47.322%0.21525%0.248CC..  trans-96.9159.2179.5-61.5177.2164.700112.7P32 K33 N34 K76 I97 S98P32-E36 HydrophobicContact CB-CB 3.89Å; K33-E36 HydrophobicContact CB-CG 4.28Å; K33-E36 VanDerWaalsContact CB-OE2 3.27Å; K33-E36 WeakPolarHBondContact CB-OE2 3.36Å; K33-E36 WeakPolarHBondContact CG-OE2 2.99Å; K33-E36 PolarHBondContact N-OE2 3.46Å; K33-E36 WeakPolarHBondContact O-CB 3.42Å; K33-E36 PolarHBondContact O-N 3.22Å; N34-E36 VanDerWaalsContact C-N 3.25Å; N34-E36 PolarHBondContact O-N 3.39Å; E36-K76 PolarHBondContact O-N 3.48Å; E36-I97 HydrophobicContact CB-CG2 3.84Å; E36-I97 HydrophobicContact CG-CG2 4.12Å; E36-I97 WeakPolarHBondContact OE2-CG2 3.33Å; E36-S98 CarbonylContact C-O 3.55Å; E36-S98 WeakPolarHBondContact CA-O 3.36Å; E36-S98 WeakPolarHBondContact CB-O 3.42Å
37V98.2Very high97.8Very high0 Ų043.6 Ų43.60%023%0.225CC..EExtended strand (participates in β ladder)trans-131.9144.4176.1-56.40000109.9I39 S75 N77 F80 I97 S98 L103V37-I39 HydrophobicContact CG2-CG2 4.06Å; V37-S75 WeakPolarHBondContact CG1-OG 3.41Å; V37-N77 HydrophobicContact CG1-CB 3.66Å; V37-F80 HydrophobicContact CG1-CB 3.81Å; V37-F80 HydrophobicContact CG1-CD2 4.18Å; V37-F80 HydrophobicContact CG1-CG 4.31Å; V37-I97 CarbonylContact O-C 3.59Å; V37-I97 VanDerWaalsContact O-CA 3.27Å; V37-I97 WeakPolarHBondContact O-CA 3.3Å; V37-S98 PolarHBondContact N-O 2.95Å; V37-S98 PolarHBondContact O-N 3.48Å; V37-L103 HydrophobicContact CG2-CD1 3.47Å; V37-L103 VanDerWaalsContact CG2-CD1 3.47Å
38L98.4Very high97.9Very high2 Ų241.8 Ų41.81%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-102.6122.5168.8-179.961000108.6V2 L29 P32 I73 Q74 H95 I97V2-L38 HydrophobicContact CB-CD2 4.3Å; V2-L38 HydrophobicContact CG2-CD2 3.88Å; L29-L38 HydrophobicContact CD1-CD1 3.82Å; P32-L38 HydrophobicContact CG-CB 4.24Å; L38-I73 HydrophobicContact CB-CG1 4.22Å; L38-I73 HydrophobicContact CD2-CD1 3.71Å; L38-I73 HydrophobicContact CD2-CG1 3.97Å; L38-I73 HydrophobicContact CG-CD1 3.81Å; L38-I73 HydrophobicContact CG-CG1 3.73Å; L38-I73 WeakPolarHBondContact O-CG1 3.41Å; L38-I73 PolarHBondContact O-N 3.46Å; L38-Q74 HydrophobicContact CB-CB 4.03Å; L38-Q74 HydrophobicContact CD2-CG 4.3Å; L38-Q74 PolarHBondContact N-O 2.96Å; L38-Q74 PolarHBondContact O-N 2.83Å; L38-H95 HydrophobicContact CD1-CB 4.43Å; L38-I97 HydrophobicContact CD1-CG1 4Å
39I98.4Very high97.8Very high0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-115145179.762.8174.4000111.1V37 A70 K71 V72 V86 S88 H95 A96 L103V37-I39 HydrophobicContact CG2-CG2 4.06Å; I39-A70 HydrophobicContact CB-CB 3.91Å; I39-A70 HydrophobicContact CD1-CB 3.94Å; I39-A70 HydrophobicContact CG1-CB 4.2Å; I39-K71 CarbonylContact C-O 3.57Å; I39-K71 VanDerWaalsContact CA-O 3.26Å; I39-K71 WeakPolarHBondContact CA-O 3.31Å; I39-V72 HydrophobicContact CG2-CG2 4.13Å; I39-V86 HydrophobicContact CG2-CG2 4.08Å; I39-S88 WeakPolarHBondContact CD1-OG 3.32Å; I39-H95 VanDerWaalsContact O-CA 3.26Å; I39-H95 WeakPolarHBondContact O-CA 3.41Å; I39-A96 HydrophobicContact CD1-CB 4.39Å; I39-A96 HydrophobicContact CG1-CB 4.06Å; I39-A96 WeakPolarHBondContact CG1-O 3.47Å; I39-A96 PolarHBondContact N-O 3.04Å; I39-A96 PolarHBondContact O-N 2.91Å; I39-L103 HydrophobicContact CD1-CD2 4.22Å
40E98.6Very high97.9Very high75 Ų7538.1 Ų38.135%0.3520%0.201SC..EExtended strand (participates in β ladder)trans-111.7120174.7175.4179.9-15600108.7A70 K71 I73 T94 H95E40-A70 CarbonylContact O-C 3.54Å; E40-A70 WeakPolarHBondContact O-CA 3.45Å; E40-A70 VanDerWaalsContact O-CB 3.3Å; E40-A70 WeakPolarHBondContact O-CB 3.32Å; E40-K71 PolarHBondContact N-O 3.05Å; E40-K71 PolarHBondContact O-N 3.06Å; E40-I73 HydrophobicContact CB-CD1 4.29Å; E40-I73 HydrophobicContact CB-CG2 3.76Å; E40-I73 WeakPolarHBondContact OE2-CG2 3.49Å; E40-T94 CarbonylContact C-O 3.53Å; E40-T94 WeakPolarHBondContact CA-O 3.37Å; E40-H95 IonicContact OE1-NE2 2.77Å
41A98.4Very high97.9Very high3 Ų335.3 Ų35.33%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-66.3136.9178.500000110.7L44 K93 T94 V329A41-L44 HydrophobicContact CB-CD1 4.2Å; A41-K93 VanDerWaalsContact CB-O 3.3Å; A41-K93 WeakPolarHBondContact CB-O 3.15Å; A41-T94 PolarHBondContact N-O 3.14Å; A41-V329 HydrophobicContact CB-CG2 4.04Å; A41-V329 WeakPolarHBondContact O-CB 3.18Å
42V98.2Very high97.9Very high40 Ų4031.9 Ų31.924%0.24217%0.166CC..EExtended strand (participates in β ladder)trans-112.9-41.8176.9-173.10000110.2V69 K71 V329V42-V69 PolarHBondContact N-O 3.44Å; V42-K71 HydrophobicContact CG2-CB 4.23Å; V42-V329 PolarHBondContact O-N 2.98Å
43F98.5Very high97.9Very high36 Ų3634 Ų3416%0.15818%0.175CC..EExtended strand (participates in β ladder)trans-137.4135.2177.4-55.7-81.3000110.1Q68 V69 M116 I326 V327 T328F43-Q68 CarbonylContact O-C 3.56Å; F43-Q68 WeakPolarHBondContact O-CA 3.5Å; F43-Q68 VanDerWaalsContact O-CB 3.28Å; F43-Q68 WeakPolarHBondContact O-CB 3.46Å; F43-V69 HydrophobicContact CB-CB 4.29Å; F43-V69 HydrophobicContact CB-CG2 4.49Å; F43-V69 HydrophobicContact CD2-CB 4.09Å; F43-V69 HydrophobicContact CD2-CG1 4.41Å; F43-V69 PolarHBondContact N-O 2.85Å; F43-V69 PolarHBondContact O-N 3.07Å; F43-M116 HydrophobicContact CE2-CB 4.34Å; F43-I326 HydrophobicContact CD1-CD1 4.08Å; F43-V327 CarbonylContact C-O 3.43Å; F43-V327 VanDerWaalsContact CA-O 3.28Å; F43-V327 WeakPolarHBondContact CA-O 3.43Å; F43-T328 HydrophobicContact CD1-CG2 3.6Å; F43-T328 HydrophobicContact CE1-CG2 3.52Å
44L98.6Very high97.8Very high0 Ų027.2 Ų27.20%015%0.146CC..EExtended strand (participates in β ladder)trans-109138.4169.5-70.795.5000111.1A41 Q68 W92 F306 M309 I326 V327 V329A41-L44 HydrophobicContact CB-CD1 4.2Å; L44-Q68 HydrophobicContact CG-CB 4.03Å; L44-W92 HydrophobicContact CD2-CB 4.25Å; L44-W92 HydrophobicContact CD2-CG 4.28Å; L44-F306 HydrophobicContact CD1-CD2 4.11Å; L44-F306 HydrophobicContact CD1-CE2 4.43Å; L44-F306 HydrophobicContact CD2-CE2 4.26Å; L44-M309 HydrophobicContact CB-CE 3.88Å; L44-M309 HydrophobicContact CB-SD 3.73Å; L44-M309 HydrophobicContact CD1-SD 4.33Å; L44-M309 HydrophobicContact CD2-CE 3.95Å; L44-M309 HydrophobicContact CD2-SD 4.08Å; L44-M309 HydrophobicContact CG-CE 4.5Å; L44-M309 HydrophobicContact CG-SD 4.27Å; L44-I326 CarbonylContact O-C 3.38Å; L44-I326 VanDerWaalsContact O-CA 3.26Å; L44-I326 WeakPolarHBondContact O-CA 3.21Å; L44-V327 HydrophobicContact CB-CB 4.49Å; L44-V327 PolarHBondContact N-O 3.24Å; L44-V327 PolarHBondContact O-N 3.5Å; L44-V329 HydrophobicContact CD1-CG2 3.13Å
45S98.4Very high97.7Very high2 Ų225.5 Ų25.51%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-74.2136.4170.7-162.30000110.6D47 M50 T67 K324S45-D47 WeakPolarHBondContact CB-OD2 3.47Å; S45-D47 PolarHBondContact OG-OD2 3.49Å; S45-M50 WeakPolarHBondContact O-CE 3.41Å; S45-T67 WeakPolarHBondContact CB-O 3.25Å; S45-T67 PolarHBondContact N-O 3.44Å; S45-K324 VanDerWaalsContact OG-CE 3.25Å; S45-K324 WeakPolarHBondContact OG-CE 3.39Å; S45-K324 PolarHBondContact OG-NZ 3.19Å
46V98.4Very high97.5Very high2 Ų229.4 Ų29.41%0.01214%0.144CC..  trans-112.5115.4168.2-176.80000108.6M309 A312 F313 M316 K324 A325 V327V46-M309 HydrophobicContact CG2-CE 4.33Å; V46-A312 HydrophobicContact CG2-CB 4.16Å; V46-F313 HydrophobicContact CG1-CB 4.08Å; V46-F313 HydrophobicContact CG1-CD2 4.15Å; V46-M316 HydrophobicContact CG1-CB 3.95Å; V46-M316 HydrophobicContact CG1-CE 3.99Å; V46-M316 HydrophobicContact CG1-CG 4.23Å; V46-K324 PolarHBondContact O-NZ 3.32Å; V46-A325 HydrophobicContact CB-CB 3.9Å; V46-A325 HydrophobicContact CG1-CB 4.34Å; V46-A325 PolarHBondContact N-O 3.13Å; V46-A325 VanDerWaalsContact N-O 3.17Å; V46-V327 HydrophobicContact CG2-CG2 3.79Å
47D98.3Very high97.4Very high8 Ų835 Ų354%0.04316%0.164CC..  trans-131.5143.4-170.5-66-59.9000113.5S45 Y49 M50 M316 K324S45-D47 WeakPolarHBondContact CB-OD2 3.47Å; S45-D47 PolarHBondContact OG-OD2 3.49Å; D47-Y49 VanDerWaalsContact C-N 3.32Å; D47-Y49 HydrophobicContact CB-CD1 3.46Å; D47-Y49 VanDerWaalsContact CB-CD1 3.46Å; D47-Y49 HydrophobicContact CB-CE1 3.36Å; D47-Y49 PolarHBondContact O-N 2.88Å; D47-M50 HydrophobicContact CB-CE 3.98Å; D47-M50 HydrophobicContact CB-CG 4.4Å; D47-M50 WeakPolarHBondContact O-CB 3.46Å; D47-M50 VanDerWaalsContact O-CG 3.31Å; D47-M50 WeakPolarHBondContact O-CG 3.48Å; D47-M50 PolarHBondContact O-N 3.2Å; D47-M316 VanDerWaalsContact C-CE 3.4Å; D47-K324 VanDerWaalsContact CG-NZ 3.31Å; D47-K324 IonicContact OD1-NZ 4Å; D47-K324 PolarHBondContact OD1-NZ 3.07Å; D47-K324 IonicContact OD2-NZ 3.38Å
48P97.7Very high97.3Very high41 Ų4135.5 Ų35.527%0.26617%0.167SC..THydrogen-bonded Turntrans-56.7-37.5179.5-28.735.2000115.5M50 R51 P52 I243 Y246 M316P48-M50 PolarHBondContact O-N 3.24Å; P48-M50 VanDerWaalsContact O-N 3.09Å; P48-R51 PolarHBondContact O-N 2.95Å; P48-R51 VanDerWaalsContact O-N 3.07Å; P48-P52 WeakPolarHBondContact O-CD 3.31Å; P48-I243 HydrophobicContact CB-CD1 3.57Å; P48-I243 HydrophobicContact CB-CG1 3.98Å; P48-I243 HydrophobicContact CG-CD1 3.65Å; P48-Y246 HydrophobicContact CB-CD2 4.42Å; P48-Y246 HydrophobicContact CB-CE2 3.84Å; P48-M316 HydrophobicContact CB-SD 4.49Å; P48-M316 HydrophobicContact CG-CE 4.19Å; P48-M316 HydrophobicContact CG-SD 3.71Å
49Y96.8Very high97.3Very high54 Ų5442.7 Ų42.721%0.21220%0.198CC..THydrogen-bonded Turntrans-61.7-22.3-175.177.3-100.3000112.4D47 R51 P52 F53 I65 M125D47-Y49 VanDerWaalsContact C-N 3.32Å; D47-Y49 HydrophobicContact CB-CD1 3.46Å; D47-Y49 VanDerWaalsContact CB-CD1 3.46Å; D47-Y49 HydrophobicContact CB-CE1 3.36Å; D47-Y49 PolarHBondContact O-N 2.88Å; Y49-R51 PolarHBondContact O-N 3.19Å; Y49-P52 WeakPolarHBondContact O-CD 3.37Å; Y49-P52 VanDerWaalsContact O-CG 3.31Å; Y49-P52 WeakPolarHBondContact O-CG 3.44Å; Y49-F53 HydrophobicContact CD2-CD1 4.09Å; Y49-F53 AromaticContact CD2-CD2 3.47Å; Y49-F53 HydrophobicContact CD2-CD2 3.47Å; Y49-F53 VanDerWaalsContact CD2-CD2 3.47Å; Y49-F53 HydrophobicContact CD2-CE1 4.06Å; Y49-F53 AromaticContact CD2-CE2 3.42Å; Y49-F53 HydrophobicContact CD2-CE2 3.42Å; Y49-F53 VanDerWaalsContact CD2-CE2 3.42Å; Y49-F53 AromaticContact CD2-CG 3.79Å; Y49-F53 HydrophobicContact CD2-CG 3.79Å; Y49-F53 AromaticContact CD2-CZ 3.72Å; Y49-F53 HydrophobicContact CD2-CZ 3.72Å; Y49-F53 AromaticContact CE2-CD2 3.74Å; Y49-F53 HydrophobicContact CE2-CD2 3.74Å; Y49-F53 AromaticContact CE2-CE2 3.74Å; Y49-F53 HydrophobicContact CE2-CE2 3.74Å; Y49-F53 HydrophobicContact CE2-CG 4.43Å; Y49-F53 HydrophobicContact CE2-CZ 4.44Å; Y49-F53 HydrophobicContact CG-CE2 4.45Å; Y49-F53 HydrophobicContact CG-CZ 4.39Å; Y49-F53 WeakPolarHBondContact O-CB 3.32Å; Y49-F53 WeakPolarHBondContact O-CD1 3.29Å; Y49-F53 VanDerWaalsContact O-CG 3.26Å; Y49-F53 WeakPolarHBondContact O-CG 3.5Å; Y49-F53 PolarHBondContact O-N 3.49Å; Y49-F53 VanDerWaalsContact O-N 3.17Å; Y49-I65 HydrophobicContact CD2-CD1 4.35Å; Y49-I65 HydrophobicContact CE2-CD1 3.83Å; Y49-M125 HydrophobicContact CD1-CE 4.48Å; Y49-M125 HydrophobicContact CE1-CE 3.98Å
50M97.8Very high97.3Very high0 Ų047.9 Ų47.90%022%0.222CC..Hα-helixtrans-58.8-29.3177.5-60176.9-17900111.6S45 D47 P48 S54 M64 I65 W92 F313S45-M50 WeakPolarHBondContact O-CE 3.41Å; D47-M50 HydrophobicContact CB-CE 3.98Å; D47-M50 HydrophobicContact CB-CG 4.4Å; D47-M50 WeakPolarHBondContact O-CB 3.46Å; D47-M50 VanDerWaalsContact O-CG 3.31Å; D47-M50 WeakPolarHBondContact O-CG 3.48Å; D47-M50 PolarHBondContact O-N 3.2Å; P48-M50 PolarHBondContact O-N 3.24Å; P48-M50 VanDerWaalsContact O-N 3.09Å; M50-S54 PolarHBondContact O-N 3.49Å; M50-M64 HydrophobicContact CB-CE 4.45Å; M50-I65 HydrophobicContact CB-CG1 4.49Å; M50-I65 HydrophobicContact CG-CG1 4.29Å; M50-W92 HydrophobicContact SD-CZ2 3.82Å; M50-F313 HydrophobicContact CB-CD2 4.49Å; M50-F313 HydrophobicContact CB-CE2 3.72Å; M50-F313 HydrophobicContact CB-CZ 3.96Å
51R97.8Very high97.2Very high17 Ų1746.2 Ų46.26%0.06423%0.225CC..Hα-helixtrans-64-67.5176.5-163.6-37.8-169.9141.82110.4F13 G15 P17 P48 Y49 F53 S54 Y246 F313 L317F13-R51 HydrophobicContact CD2-CG 4.33Å; F13-R51 PolarHBondContact O-NH2 3.17Å; G15-R51 PolarHBondContact O-NE 2.86Å; G15-R51 VanDerWaalsContact O-NE 3.08Å; G15-R51 PolarHBondContact O-NH2 3.47Å; P17-R51 HydrophobicContact CG-CG 4.17Å; P48-R51 PolarHBondContact O-N 2.95Å; P48-R51 VanDerWaalsContact O-N 3.07Å; Y49-R51 PolarHBondContact O-N 3.19Å; R51-F53 PolarHBondContact O-N 2.88Å; R51-F53 VanDerWaalsContact O-N 3.12Å; R51-S54 WeakPolarHBondContact O-CB 3.38Å; R51-S54 PolarHBondContact O-N 3.37Å; R51-S54 VanDerWaalsContact O-N 3.14Å; R51-Y246 HydrophobicContact CB-CD2 4.48Å; R51-Y246 PolarHBondContact NE-O 3.25Å; R51-Y246 PolarHBondContact NH1-O 2.97Å; R51-Y246 PolarHBondContact NH2-O 2.91Å; R51-Y246 VanDerWaalsContact NH2-O 3.12Å; R51-F313 HydrophobicContact CB-CZ 3.88Å; R51-L317 HydrophobicContact CB-CD1 4.43Å; R51-L317 HydrophobicContact CB-CD2 4.29Å; R51-L317 HydrophobicContact CG-CD1 4.37Å
52P96.1Very high97.2Very high21 Ų2149.2 Ų49.214%0.13624%0.241CC..Hα-helixtrans-60-27.5-176.223.3-34.6000112.5P48 Y49 S54 K55 L56 Y246P48-P52 WeakPolarHBondContact O-CD 3.31Å; Y49-P52 WeakPolarHBondContact O-CD 3.37Å; Y49-P52 VanDerWaalsContact O-CG 3.31Å; Y49-P52 WeakPolarHBondContact O-CG 3.44Å; P52-S54 PolarHBondContact O-N 3.13Å; P52-K55 PolarHBondContact O-N 2.8Å; P52-L56 HydrophobicContact CB-CD1 4.16Å; P52-L56 WeakPolarHBondContact O-CG 3.31Å; P52-L56 PolarHBondContact O-N 2.86Å; P52-Y246 HydrophobicContact CB-CD1 4.44Å; P52-Y246 HydrophobicContact CG-CD1 4.04Å; P52-Y246 HydrophobicContact CG-CD2 4.14Å; P52-Y246 HydrophobicContact CG-CE1 3.94Å; P52-Y246 HydrophobicContact CG-CE2 4.05Å; P52-Y246 HydrophobicContact CG-CG 4.15Å
53F96.4Very high97.2Very high47 Ų4749.3 Ų49.321%0.20624%0.241CC..Hα-helixtrans-67-22-179-78.729.3000113.7Y49 R51 K55 L56 Y57 M58 I65Y49-F53 HydrophobicContact CD2-CD1 4.09Å; Y49-F53 AromaticContact CD2-CD2 3.47Å; Y49-F53 HydrophobicContact CD2-CD2 3.47Å; Y49-F53 VanDerWaalsContact CD2-CD2 3.47Å; Y49-F53 HydrophobicContact CD2-CE1 4.06Å; Y49-F53 AromaticContact CD2-CE2 3.42Å; Y49-F53 HydrophobicContact CD2-CE2 3.42Å; Y49-F53 VanDerWaalsContact CD2-CE2 3.42Å; Y49-F53 AromaticContact CD2-CG 3.79Å; Y49-F53 HydrophobicContact CD2-CG 3.79Å; Y49-F53 AromaticContact CD2-CZ 3.72Å; Y49-F53 HydrophobicContact CD2-CZ 3.72Å; Y49-F53 AromaticContact CE2-CD2 3.74Å; Y49-F53 HydrophobicContact CE2-CD2 3.74Å; Y49-F53 AromaticContact CE2-CE2 3.74Å; Y49-F53 HydrophobicContact CE2-CE2 3.74Å; Y49-F53 HydrophobicContact CE2-CG 4.43Å; Y49-F53 HydrophobicContact CE2-CZ 4.44Å; Y49-F53 HydrophobicContact CG-CE2 4.45Å; Y49-F53 HydrophobicContact CG-CZ 4.39Å; Y49-F53 WeakPolarHBondContact O-CB 3.32Å; Y49-F53 WeakPolarHBondContact O-CD1 3.29Å; Y49-F53 VanDerWaalsContact O-CG 3.26Å; Y49-F53 WeakPolarHBondContact O-CG 3.5Å; Y49-F53 PolarHBondContact O-N 3.49Å; Y49-F53 VanDerWaalsContact O-N 3.17Å; R51-F53 PolarHBondContact O-N 2.88Å; R51-F53 VanDerWaalsContact O-N 3.12Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 3.15Å; F53-L56 HydrophobicContact CD1-CD1 4.47Å; F53-L56 PolarHBondContact O-N 3.13Å; F53-Y57 HydrophobicContact CB-CD2 3.98Å; F53-Y57 AromaticContact CD1-CD2 3.64Å; F53-Y57 HydrophobicContact CD1-CD2 3.64Å; F53-Y57 AromaticContact CD1-CE2 3.69Å; F53-Y57 HydrophobicContact CD1-CE2 3.69Å; F53-Y57 AromaticContact CD2-CD2 3.51Å; F53-Y57 HydrophobicContact CD2-CD2 3.51Å; F53-Y57 HydrophobicContact CD2-CE2 4.05Å; F53-Y57 HydrophobicContact CD2-CG 4.39Å; F53-Y57 AromaticContact CE1-CD2 3.94Å; F53-Y57 HydrophobicContact CE1-CD2 3.94Å; F53-Y57 AromaticContact CE1-CE2 3.55Å; F53-Y57 HydrophobicContact CE1-CE2 3.55Å; F53-Y57 AromaticContact CE2-CD2 3.83Å; F53-Y57 HydrophobicContact CE2-CD2 3.83Å; F53-Y57 AromaticContact CE2-CE2 3.93Å; F53-Y57 HydrophobicContact CE2-CE2 3.93Å; F53-Y57 AromaticContact CG-CD2 3.44Å; F53-Y57 HydrophobicContact CG-CD2 3.44Å; F53-Y57 VanDerWaalsContact CG-CD2 3.44Å; F53-Y57 AromaticContact CG-CE2 3.97Å; F53-Y57 HydrophobicContact CG-CE2 3.97Å; F53-Y57 HydrophobicContact CZ-CD2 4.04Å; F53-Y57 AromaticContact CZ-CE2 3.68Å; F53-Y57 HydrophobicContact CZ-CE2 3.68Å; F53-Y57 PolarHBondContact O-N 2.82Å; F53-M58 PolarHBondContact O-N 3.11Å; F53-I65 HydrophobicContact CB-CD1 3.41Å; F53-I65 VanDerWaalsContact CB-CD1 3.41Å; F53-I65 HydrophobicContact CD2-CD1 3.41Å; F53-I65 VanDerWaalsContact CD2-CD1 3.41Å; F53-I65 HydrophobicContact CG-CD1 3.84Å
54S96.5Very high97.2Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-46.3-53.1168.8154.50000110.9M9 H12 F13 M50 R51 P52 M58M9-S54 VanDerWaalsContact SD-CB 3.57Å; M9-S54 PolarHBondContact SD-OG 3.25Å; H12-S54 WeakPolarHBondContact CA-OG 3.45Å; H12-S54 PolarHBondContact CE1-O 2.83Å; H12-S54 PolarHBondContact ND1-O 3.17Å; H12-S54 PolarHBondContact ND1-OG 2.98Å; F13-S54 PolarHBondContact N-OG 3.46Å; M50-S54 PolarHBondContact O-N 3.49Å; R51-S54 WeakPolarHBondContact O-CB 3.38Å; R51-S54 PolarHBondContact O-N 3.37Å; R51-S54 VanDerWaalsContact O-N 3.14Å; P52-S54 PolarHBondContact O-N 3.13Å; S54-M58 WeakPolarHBondContact O-CB 3.32Å
55K94.5Very high97.1Very high111 Ų11149.7 Ų49.748%0.48325%0.245SC..Hα-helixtrans-88.2-23.8-177.4-68.5-173.9179.5177.20113.6H12 F13 D14 P52 F53H12-K55 HydrophobicContact CB-CG 4.07Å; F13-K55 WeakPolarHBondContact O-CE 3.41Å; D14-K55 IonicContact OD1-NZ 3.61Å; D14-K55 PolarHBondContact OD1-NZ 3.07Å; P52-K55 PolarHBondContact O-N 2.8Å; F53-K55 VanDerWaalsContact C-N 3.27Å; F53-K55 PolarHBondContact O-N 3.15Å
56L93.8Very high97Very high112 Ų11249.7 Ų49.759%0.58625%0.245SC*.Hα-helixtrans-85.8-33.3-174.5-65.5173.3000113.6P52 F53P52-L56 HydrophobicContact CB-CD1 4.16Å; P52-L56 WeakPolarHBondContact O-CG 3.31Å; P52-L56 PolarHBondContact O-N 2.86Å; F53-L56 HydrophobicContact CD1-CD1 4.47Å; F53-L56 PolarHBondContact O-N 3.13Å
57Y94.8Very high96.9Very high164 Ų16450.6 Ų50.664%0.64325%0.251SS*.Hα-helixtrans-137.8-7.4-167-59.9-68.9000115F53F53-Y57 HydrophobicContact CB-CD2 3.98Å; F53-Y57 AromaticContact CD1-CD2 3.64Å; F53-Y57 HydrophobicContact CD1-CD2 3.64Å; F53-Y57 AromaticContact CD1-CE2 3.69Å; F53-Y57 HydrophobicContact CD1-CE2 3.69Å; F53-Y57 AromaticContact CD2-CD2 3.51Å; F53-Y57 HydrophobicContact CD2-CD2 3.51Å; F53-Y57 HydrophobicContact CD2-CE2 4.05Å; F53-Y57 HydrophobicContact CD2-CG 4.39Å; F53-Y57 AromaticContact CE1-CD2 3.94Å; F53-Y57 HydrophobicContact CE1-CD2 3.94Å; F53-Y57 AromaticContact CE1-CE2 3.55Å; F53-Y57 HydrophobicContact CE1-CE2 3.55Å; F53-Y57 AromaticContact CE2-CD2 3.83Å; F53-Y57 HydrophobicContact CE2-CD2 3.83Å; F53-Y57 AromaticContact CE2-CE2 3.93Å; F53-Y57 HydrophobicContact CE2-CE2 3.93Å; F53-Y57 AromaticContact CG-CD2 3.44Å; F53-Y57 HydrophobicContact CG-CD2 3.44Å; F53-Y57 VanDerWaalsContact CG-CD2 3.44Å; F53-Y57 AromaticContact CG-CE2 3.97Å; F53-Y57 HydrophobicContact CG-CE2 3.97Å; F53-Y57 HydrophobicContact CZ-CD2 4.04Å; F53-Y57 AromaticContact CZ-CE2 3.68Å; F53-Y57 HydrophobicContact CZ-CE2 3.68Å; F53-Y57 PolarHBondContact O-N 2.82Å
58M97.5Very high96.9Very high11 Ų1150.2 Ų50.25%0.05425%0.249CC..  trans-113.6164.9-178.4-61.4178.164.500111.5M9 H12 F53 S54 D62 V63 M64 I65M9-M58 HydrophobicContact CB-CE 3.82Å; M9-M58 HydrophobicContact CE-CB 3.64Å; M9-M58 HydrophobicContact CE-CE 4.1Å; M9-M58 HydrophobicContact SD-CB 4.37Å; M9-M58 HydrophobicContact SD-CE 3.97Å; M9-M58 HydrophobicContact SD-SD 4.2Å; H12-M58 PolarHBondContact CE1-O 3Å; H12-M58 VanDerWaalsContact CE1-O 3.27Å; F53-M58 PolarHBondContact O-N 3.11Å; S54-M58 WeakPolarHBondContact O-CB 3.32Å; M58-D62 HydrophobicContact CE-CB 4.09Å; M58-V63 WeakPolarHBondContact CE-O 3.42Å; M58-M64 HydrophobicContact CE-SD 3.82Å; M58-M64 HydrophobicContact SD-SD 4.25Å; M58-I65 HydrophobicContact CE-CG2 4.35Å; M58-I65 HydrophobicContact CG-CG2 3.87Å; M58-I65 HydrophobicContact SD-CB 4.34Å; M58-I65 HydrophobicContact SD-CD1 4.33Å; M58-I65 HydrophobicContact SD-CG1 3.93Å; M58-I65 HydrophobicContact SD-CG2 3.76Å
59K97.8Very high96.9Very high152 Ų15248.3 Ų48.366%0.66124%0.236SC*.  trans-120.2152.7167.2-61.4176.3-175.4175.30109.4M9 G61 D62M9-K59 VanDerWaalsContact CE-O 3.29Å; M9-K59 WeakPolarHBondContact CE-O 3.32Å; K59-G61 PolarHBondContact O-N 2.96Å; K59-D62 PolarHBondContact N-OD2 2.91Å; K59-D62 VanDerWaalsContact O-CB 3.23Å; K59-D62 WeakPolarHBondContact O-CB 3.46Å; K59-D62 VanDerWaalsContact O-CG 3.3Å; K59-D62 PolarHBondContact O-N 3.47Å
60E97.9Very high97Very high109 Ų10945.7 Ų45.751%0.50923%0.226SC..THydrogen-bonded Turntrans-57.7132.4170.2-61.3-174.6164.300110.2K11 H12K11-E60 WeakPolarHBondContact CA-OE1 3.31Å; H12-E60 IonicContact CD2-OE1 3.87Å; H12-E60 PolarHBondContact N-OE1 2.73Å; H12-E60 VanDerWaalsContact N-OE1 3.07Å
61G97.8Very high97Very high40 Ų4049.8 Ų49.841%0.41224%0.244SC..THydrogen-bonded Turntrans95.9-12.5-172.100000114.6V8 M9 K59V8-G61 VanDerWaalsContact CG1-C 3.42Å; V8-G61 WeakPolarHBondContact CG1-O 3.34Å; M9-G61 PolarHBondContact O-N 3.45Å; K59-G61 PolarHBondContact O-N 2.96Å
62D98.1Very high97.1Very high67 Ų6749 Ų4936%0.35824%0.241SC..SBendtrans-70.6148.1174.8-71.2-15.1000111.6V8 M9 M58 K59 M64V8-D62 CarbonylContact C-O 3.49Å; V8-D62 WeakPolarHBondContact CA-O 3.2Å; V8-D62 WeakPolarHBondContact CG1-O 3.22Å; M9-D62 PolarHBondContact N-O 3.31Å; M58-D62 HydrophobicContact CE-CB 4.09Å; K59-D62 PolarHBondContact N-OD2 2.91Å; K59-D62 VanDerWaalsContact O-CB 3.23Å; K59-D62 WeakPolarHBondContact O-CB 3.46Å; K59-D62 VanDerWaalsContact O-CG 3.3Å; K59-D62 PolarHBondContact O-N 3.47Å; D62-M64 PolarHBondContact O-N 3.16Å
63V98.1Very high97.2Very high41 Ų4150.1 Ų50.125%0.24825%0.245CC..BIsolated β-bridgetrans-63.1134.1167.3175.60000108.4W7 V8 M58 I65 K93W7-V63 CarbonylContact O-C 3.58Å; W7-V63 WeakPolarHBondContact O-CA 3.3Å; V8-V63 HydrophobicContact CG2-CG2 4.22Å; M58-V63 WeakPolarHBondContact CE-O 3.42Å; V63-I65 PolarHBondContact O-N 3.37Å; V63-K93 HydrophobicContact CG1-CD 4.47Å; V63-K93 HydrophobicContact CG1-CG 3.8Å; V63-K93 VanDerWaalsContact CG2-CE 3.46Å
64M98.4Very high97.3Very high0 Ų050.7 Ų50.70%025%0.248CC..PPolyproline II helixtrans-53129.6176.5-87.7-60.2-60.200110.7W7 M9 F13 F22 M50 M58 D62 G91 W92W7-M64 PolarHBondContact O-N 2.93Å; M9-M64 HydrophobicContact CB-CG 4.29Å; M9-M64 HydrophobicContact CB-SD 3.76Å; M9-M64 HydrophobicContact CG-SD 4.26Å; F13-M64 HydrophobicContact CE2-CE 4.16Å; F13-M64 HydrophobicContact CE2-SD 4.35Å; F13-M64 HydrophobicContact CZ-CE 3.95Å; F13-M64 HydrophobicContact CZ-SD 3.77Å; F22-M64 HydrophobicContact CD1-CG 3.86Å; F22-M64 HydrophobicContact CD1-SD 4.38Å; F22-M64 HydrophobicContact CE1-CE 4.16Å; F22-M64 HydrophobicContact CE1-CG 3.79Å; F22-M64 HydrophobicContact CE1-SD 3.84Å; M50-M64 HydrophobicContact CB-CE 4.45Å; M58-M64 HydrophobicContact CE-SD 3.82Å; M58-M64 HydrophobicContact SD-SD 4.25Å; D62-M64 PolarHBondContact O-N 3.16Å; M64-G91 CarbonylContact O-C 3.58Å; M64-G91 WeakPolarHBondContact O-CA 3.4Å; M64-W92 HydrophobicContact CB-CB 3.99Å; M64-W92 HydrophobicContact CB-CD2 3.49Å; M64-W92 VanDerWaalsContact CB-CD2 3.49Å; M64-W92 HydrophobicContact CB-CE3 3.61Å; M64-W92 HydrophobicContact CB-CG 3.68Å; M64-W92 HydrophobicContact CB-CZ3 4.24Å; M64-W92 HydrophobicContact CE-CH2 4.01Å; M64-W92 HydrophobicContact CE-CZ2 3.95Å; M64-W92 HydrophobicContact CE-CZ3 4.43Å; M64-W92 HydrophobicContact CG-CD2 4.22Å; M64-W92 HydrophobicContact CG-CE3 3.87Å; M64-W92 HydrophobicContact CG-CZ3 4.05Å; M64-W92 PolarHBondContact O-N 2.9Å
65I97.3Very high97.4Very high44 Ų4452.3 Ų52.323%0.22626%0.26CS..PPolyproline II helixtrans-66.6152.9177.962.3171.3000111Y49 M50 F53 M58 V63 W92Y49-I65 HydrophobicContact CD2-CD1 4.35Å; Y49-I65 HydrophobicContact CE2-CD1 3.83Å; M50-I65 HydrophobicContact CB-CG1 4.49Å; M50-I65 HydrophobicContact CG-CG1 4.29Å; F53-I65 HydrophobicContact CB-CD1 3.41Å; F53-I65 VanDerWaalsContact CB-CD1 3.41Å; F53-I65 HydrophobicContact CD2-CD1 3.41Å; F53-I65 VanDerWaalsContact CD2-CD1 3.41Å; F53-I65 HydrophobicContact CG-CD1 3.84Å; M58-I65 HydrophobicContact CE-CG2 4.35Å; M58-I65 HydrophobicContact CG-CG2 3.87Å; M58-I65 HydrophobicContact SD-CB 4.34Å; M58-I65 HydrophobicContact SD-CD1 4.33Å; M58-I65 HydrophobicContact SD-CG1 3.93Å; M58-I65 HydrophobicContact SD-CG2 3.76Å; V63-I65 PolarHBondContact O-N 3.37Å; I65-W92 VanDerWaalsContact O-CD1 3.3Å; I65-W92 PolarHBondContact O-NE1 3.33Å
66G95.6Very high97.5Very high3 Ų352.4 Ų52.43%0.03126%0.26CS..  trans173.7153.7-178.800000112S89 G91G66-S89 CarbonylContact O-C 3.6Å; G66-S89 WeakPolarHBondContact O-CA 3.2Å; G66-G91 PolarHBondContact O-N 2.96Å
67T97.2Very high97.7Very high21 Ų2148.6 Ų48.613%0.12924%0.241CC..  trans-102.7141.1172.1-51.20000108.8S45 V87 S88 V120S45-T67 WeakPolarHBondContact CB-O 3.25Å; S45-T67 PolarHBondContact N-O 3.44Å; T67-V87 HydrophobicContact CG2-CG1 3.38Å; T67-S88 CarbonylContact C-O 3.55Å; T67-S88 VanDerWaalsContact CA-O 3.28Å; T67-S88 WeakPolarHBondContact CA-O 3.13Å; T67-V120 HydrophobicContact CG2-CG1 3.98Å
68Q97.5Very high97.7Very high0 Ų046.5 Ų46.50%025%0.25CS..EExtended strand (participates in β ladder)trans-136151-179.965.9-174.923.800111.9F43 L44 A70 V87 S88 G91 K93F43-Q68 CarbonylContact O-C 3.56Å; F43-Q68 WeakPolarHBondContact O-CA 3.5Å; F43-Q68 VanDerWaalsContact O-CB 3.28Å; F43-Q68 WeakPolarHBondContact O-CB 3.46Å; L44-Q68 HydrophobicContact CG-CB 4.03Å; Q68-A70 HydrophobicContact CG-CB 4.28Å; Q68-V87 CarbonylContact O-C 3.48Å; Q68-V87 WeakPolarHBondContact O-CA 3.36Å; Q68-S88 PolarHBondContact N-O 2.77Å; Q68-S88 PolarHBondContact O-N 3.44Å; Q68-G91 PolarHBondContact OE1-O 3.17Å; Q68-K93 PolarHBondContact OE1-O 3.36Å; Q68-K93 VanDerWaalsContact OE1-O 3.11Å
69V98.4Very high97.7Very high0 Ų048.6 Ų48.60%027%0.269CS..EExtended strand (participates in β ladder)trans-86.8126.2157-177.50000106.9V42 F43 V86 L106 M116 A119 V120V42-V69 PolarHBondContact N-O 3.44Å; F43-V69 HydrophobicContact CB-CB 4.29Å; F43-V69 HydrophobicContact CB-CG2 4.49Å; F43-V69 HydrophobicContact CD2-CB 4.09Å; F43-V69 HydrophobicContact CD2-CG1 4.41Å; F43-V69 PolarHBondContact N-O 2.85Å; F43-V69 PolarHBondContact O-N 3.07Å; V69-V86 CarbonylContact C-O 3.53Å; V69-V86 WeakPolarHBondContact CA-O 3.37Å; V69-L106 HydrophobicContact CG1-CD1 4.42Å; V69-L106 HydrophobicContact CG1-CD2 4.42Å; V69-M116 HydrophobicContact CG1-CB 4.34Å; V69-A119 HydrophobicContact CG2-CB 3.92Å; V69-V120 HydrophobicContact CG2-CB 4.5Å; V69-V120 HydrophobicContact CG2-CG1 3.75Å; V69-V120 HydrophobicContact CG2-CG2 4.2Å
70A98.4Very high97.7Very high0 Ų042.2 Ų42.20%024%0.242CC..EExtended strand (participates in β ladder)trans-132.9150.3-178.800000111.3I39 E40 Q68 H85 V86I39-A70 HydrophobicContact CB-CB 3.91Å; I39-A70 HydrophobicContact CD1-CB 3.94Å; I39-A70 HydrophobicContact CG1-CB 4.2Å; E40-A70 CarbonylContact O-C 3.54Å; E40-A70 WeakPolarHBondContact O-CA 3.45Å; E40-A70 VanDerWaalsContact O-CB 3.3Å; E40-A70 WeakPolarHBondContact O-CB 3.32Å; Q68-A70 HydrophobicContact CG-CB 4.28Å; A70-H85 CarbonylContact O-C 3.5Å; A70-H85 VanDerWaalsContact O-CA 3.28Å; A70-H85 WeakPolarHBondContact O-CA 3.46Å; A70-V86 HydrophobicContact CB-CG2 4.19Å; A70-V86 PolarHBondContact N-O 2.81Å; A70-V86 PolarHBondContact O-N 3.2Å
71K98.1Very high97.6Very high85 Ų8540.6 Ų40.637%0.3724%0.24SC..EExtended strand (participates in β ladder)trans-95135.4173.8-175.7-178.4177.7-1730109.5I39 E40 V42 I73 S84I39-K71 CarbonylContact C-O 3.57Å; I39-K71 VanDerWaalsContact CA-O 3.26Å; I39-K71 WeakPolarHBondContact CA-O 3.31Å; E40-K71 PolarHBondContact N-O 3.05Å; E40-K71 PolarHBondContact O-N 3.06Å; V42-K71 HydrophobicContact CG2-CB 4.23Å; K71-I73 HydrophobicContact CG-CG2 4.44Å; K71-I73 PolarHBondContact O-N 3.44Å; K71-S84 WeakPolarHBondContact CA-O 3.47Å
72V98.4Very high97.6Very high0 Ų043.1 Ų43.10%025%0.247CC..EExtended strand (participates in β ladder)trans-75.3114.3171.2-177.70000108.5I39 F80 G83 S84 V86I39-V72 HydrophobicContact CG2-CG2 4.13Å; V72-F80 HydrophobicContact CG2-CB 4.38Å; V72-G83 PolarHBondContact O-N 3.22Å; V72-S84 WeakPolarHBondContact CG2-OG 3.47Å; V72-S84 PolarHBondContact N-O 3.48Å; V72-V86 HydrophobicContact CG2-CG1 4.15Å
73I98.3Very high97.5Very high46 Ų4641.7 Ų41.724%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-102.2-25.5-178.560.3165.2000112.8L38 E40 K71L38-I73 HydrophobicContact CB-CG1 4.22Å; L38-I73 HydrophobicContact CD2-CD1 3.71Å; L38-I73 HydrophobicContact CD2-CG1 3.97Å; L38-I73 HydrophobicContact CG-CD1 3.81Å; L38-I73 HydrophobicContact CG-CG1 3.73Å; L38-I73 WeakPolarHBondContact O-CG1 3.41Å; L38-I73 PolarHBondContact O-N 3.46Å; E40-I73 HydrophobicContact CB-CD1 4.29Å; E40-I73 HydrophobicContact CB-CG2 3.76Å; E40-I73 WeakPolarHBondContact OE2-CG2 3.49Å; K71-I73 HydrophobicContact CG-CG2 4.44Å; K71-I73 PolarHBondContact O-N 3.44Å
74Q98.2Very high97.5Very high58 Ų5841 Ų4127%0.27125%0.246SC..EExtended strand (participates in β ladder)trans-143.9148.3167.7-56.6176-30.300109.3E31 P32 L38E31-Q74 PolarHBondContact OE2-NE2 3.37Å; E31-Q74 PolarHBondContact OE2-OE1 3.35Å; E31-Q74 VanDerWaalsContact OE2-OE1 3.13Å; P32-Q74 HydrophobicContact CG-CB 4.01Å; L38-Q74 HydrophobicContact CB-CB 4.03Å; L38-Q74 HydrophobicContact CD2-CG 4.3Å; L38-Q74 PolarHBondContact N-O 2.96Å; L38-Q74 PolarHBondContact O-N 2.83Å
75S98.3Very high97.4Very high35 Ų3543.3 Ų43.325%0.24526%0.256CS..EExtended strand (participates in β ladder)trans-149.3132.7179.8-179.90000112V37 N77 F80V37-S75 WeakPolarHBondContact CG1-OG 3.41Å; S75-N77 PolarHBondContact OG-N 2.7Å; S75-N77 PolarHBondContact OG-O 2.64Å; S75-F80 WeakPolarHBondContact CB-O 3.39Å; S75-F80 PolarHBondContact OG-O 3.35Å
76K97.8Very high97.5Very high112 Ų11241.2 Ų41.249%0.48725%0.246SC..SBendtrans-115.128.9162.2-63.8-173.7-176.31620110.6P32 K33 G35 E36P32-K76 VanDerWaalsContact O-CD 3.25Å; P32-K76 WeakPolarHBondContact O-CD 3.49Å; P32-K76 WeakPolarHBondContact O-CE 3.31Å; P32-K76 PolarHBondContact O-NZ 3.01Å; K33-K76 WeakPolarHBondContact O-CB 3.42Å; G35-K76 PolarHBondContact N-O 2.88Å; E36-K76 PolarHBondContact O-N 3.48Å
77N97.3Very high97.6Very high32 Ų3242.6 Ų42.617%0.17125%0.253CS..  trans-131.3110.2176.5-171.5-29.2000109.1G35 V37 S75 A79 F80G35-N77 WeakPolarHBondContact O-CB 3.45Å; G35-N77 PolarHBondContact O-ND2 2.93Å; V37-N77 HydrophobicContact CG1-CB 3.66Å; S75-N77 PolarHBondContact OG-N 2.7Å; S75-N77 PolarHBondContact OG-O 2.64Å; N77-A79 PolarHBondContact O-N 3.1Å; N77-A79 VanDerWaalsContact O-N 3.09Å; N77-A79 WeakPolarHBondContact OD1-CB 3.49Å; N77-A79 PolarHBondContact OD1-N 2.95Å; N77-A79 VanDerWaalsContact OD1-N 3.15Å; N77-F80 HydrophobicContact CB-CD2 4.38Å; N77-F80 PolarHBondContact O-N 3.47Å
78S95.8Very high97.5Very high121 Ų12141.6 Ų41.685%0.84625%0.247SC*.THydrogen-bonded Turntrans-63.2-18.7-174.453.70000114.1F80S78-F80 PolarHBondContact O-N 3.29Å
79A96.3Very high97.4Very high55 Ų5545.4 Ų45.446%0.45527%0.274SS..THydrogen-bonded Turntrans-69.1-17.5174.100000113N77 L105N77-A79 PolarHBondContact O-N 3.1Å; N77-A79 VanDerWaalsContact O-N 3.09Å; N77-A79 WeakPolarHBondContact OD1-CB 3.49Å; N77-A79 PolarHBondContact OD1-N 2.95Å; N77-A79 VanDerWaalsContact OD1-N 3.15Å; A79-L105 WeakPolarHBondContact O-CD1 3.39Å
80F97.6Very high97.2Very high18 Ų1847.3 Ų47.38%0.07929%0.287CS..SBendtrans-130.185.3-176.5-61.1-75.7000110.2V37 V72 S75 N77 S78 V86 L103 L105V37-F80 HydrophobicContact CG1-CB 3.81Å; V37-F80 HydrophobicContact CG1-CD2 4.18Å; V37-F80 HydrophobicContact CG1-CG 4.31Å; V72-F80 HydrophobicContact CG2-CB 4.38Å; S75-F80 WeakPolarHBondContact CB-O 3.39Å; S75-F80 PolarHBondContact OG-O 3.35Å; N77-F80 HydrophobicContact CB-CD2 4.38Å; N77-F80 PolarHBondContact O-N 3.47Å; S78-F80 PolarHBondContact O-N 3.29Å; F80-V86 HydrophobicContact CD1-CG1 3.81Å; F80-V86 HydrophobicContact CE1-CG1 4.15Å; F80-L103 HydrophobicContact CD1-CB 4.38Å; F80-L103 HydrophobicContact CD1-CD1 4.4Å; F80-L103 HydrophobicContact CE1-CB 3.55Å; F80-L103 HydrophobicContact CE1-CD1 4.29Å; F80-L103 HydrophobicContact CE2-CB 4.43Å; F80-L103 HydrophobicContact CZ-CB 3.59Å; F80-L103 HydrophobicContact CZ-CD1 4.37Å; F80-L105 HydrophobicContact CD1-CD2 4.08Å; F80-L105 HydrophobicContact CD1-CG 3.95Å; F80-L105 HydrophobicContact CE1-CG 4.08Å
81P96.9Very high97.1Very high74 Ų7447.5 Ų47.548%0.48129%0.289SS..  trans-64.7145.9-179.2-22.134000112.5G83 S84P81-G83 PolarHBondContact O-N 3.05Å; P81-S84 VanDerWaalsContact O-CB 3.28Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.47Å; P81-S84 VanDerWaalsContact O-N 3.14Å; P81-S84 PolarHBondContact O-OG 2.77Å
82V98.3Very high97.1Very high93 Ų9343.5 Ų43.556%0.56427%0.271SS*.THydrogen-bonded Turntrans-57.7136.3172.51780000110.3S84V82-S84 VanDerWaalsContact C-N 3.31Å
83G96.4Very high97.1Very high38 Ų3845.3 Ų45.339%0.39228%0.279SS..THydrogen-bonded Turntrans88.1-11.9-176.800000114.7V72 P81V72-G83 PolarHBondContact O-N 3.22Å; P81-G83 PolarHBondContact O-N 3.05Å
84S96.5Very high97.1Very high26 Ų2643.6 Ų43.618%0.18227%0.271CS..  trans-70.3160.4171.168.60000111.7K71 V72 P81 V82K71-S84 WeakPolarHBondContact CA-O 3.47Å; V72-S84 WeakPolarHBondContact CG2-OG 3.47Å; V72-S84 PolarHBondContact N-O 3.48Å; P81-S84 VanDerWaalsContact O-CB 3.28Å; P81-S84 WeakPolarHBondContact O-CB 3.27Å; P81-S84 PolarHBondContact O-N 3.47Å; P81-S84 VanDerWaalsContact O-N 3.14Å; P81-S84 PolarHBondContact O-OG 2.77Å; V82-S84 VanDerWaalsContact C-N 3.31Å
85H97.4Very high97.1Very high48 Ų4842 Ų4222%0.22226%0.264CS..EExtended strand (participates in β ladder)trans-111.9141.6175.2-65.881.3000109.9A70 L106 M116A70-H85 CarbonylContact O-C 3.5Å; A70-H85 VanDerWaalsContact O-CA 3.28Å; A70-H85 WeakPolarHBondContact O-CA 3.46Å; H85-L106 HydrophobicContact CB-CB 4.5Å; H85-L106 HydrophobicContact CB-CD1 4.14Å; H85-L106 HydrophobicContact CB-CD2 4Å; H85-L106 HydrophobicContact CB-CG 4.44Å; H85-L106 PolarHBondContact O-N 3.38Å; H85-M116 HydrophobicContact CB-SD 4.21Å; H85-M116 VanDerWaalsContact CG-SD 3.58Å; H85-M116 WeakPolarHBondContact NE2-CE 3.39Å
86V97.9Very high97.1Very high0 Ų040.7 Ų40.70%026%0.255CS..EExtended strand (participates in β ladder)trans-128150.7179.5-64.20000110.5I39 V69 A70 V72 F80 L103 T104 L105 L106I39-V86 HydrophobicContact CG2-CG2 4.08Å; V69-V86 CarbonylContact C-O 3.53Å; V69-V86 WeakPolarHBondContact CA-O 3.37Å; A70-V86 HydrophobicContact CB-CG2 4.19Å; A70-V86 PolarHBondContact N-O 2.81Å; A70-V86 PolarHBondContact O-N 3.2Å; V72-V86 HydrophobicContact CG2-CG1 4.15Å; F80-V86 HydrophobicContact CD1-CG1 3.81Å; F80-V86 HydrophobicContact CE1-CG1 4.15Å; V86-L103 HydrophobicContact CG2-CD2 4.29Å; V86-T104 CarbonylContact C-O 3.51Å; V86-T104 WeakPolarHBondContact CA-O 3.33Å; V86-L105 HydrophobicContact CG1-CD2 3.89Å; V86-L105 HydrophobicContact CG1-CG 4.42Å; V86-L106 VanDerWaalsContact C-CD1 3.48Å
87V97.9Very high97.1Very high32 Ų3237.5 Ų37.519%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-86.6131.6156.1-179.10000107.6T67 Q68 T104 L106 A119T67-V87 HydrophobicContact CG2-CG1 3.38Å; Q68-V87 CarbonylContact O-C 3.48Å; Q68-V87 WeakPolarHBondContact O-CA 3.36Å; V87-T104 PolarHBondContact N-O 2.86Å; V87-T104 PolarHBondContact O-N 2.87Å; V87-L106 HydrophobicContact CG2-CD1 3.81Å; V87-A119 HydrophobicContact CG2-CB 3.94Å
88S96.6Very high97.1Very high0 Ų036.5 Ų36.50%024%0.238CC..EExtended strand (participates in β ladder)trans-135.5146.3-175.1170.20000110.8I39 T67 Q68 C90I39-S88 WeakPolarHBondContact CD1-OG 3.32Å; T67-S88 CarbonylContact C-O 3.55Å; T67-S88 VanDerWaalsContact CA-O 3.28Å; T67-S88 WeakPolarHBondContact CA-O 3.13Å; Q68-S88 PolarHBondContact N-O 2.77Å; Q68-S88 PolarHBondContact O-N 3.44Å; S88-C90 WeakPolarHBondContact OG-CB 3.39Å; S88-C90 PolarHBondContact OG-N 3.13Å; S88-C90 PolarHBondContact OG-SG 2.81Å
89S95Very high97Very high80 Ų8034.2 Ų34.256%0.55922%0.217SC*.  trans-104.227.4174.8-59.20000113G66 G91G66-S89 CarbonylContact O-C 3.6Å; G66-S89 WeakPolarHBondContact O-CA 3.2Å; S89-G91 PolarHBondContact O-N 3.33Å
90C94.3Very high96.9Very high41 Ų4132.3 Ų32.328%0.27720%0.202SC..  trans-70.45.3-177.3-70.80000115.2S88 A96S88-C90 WeakPolarHBondContact OG-CB 3.39Å; S88-C90 PolarHBondContact OG-N 3.13Å; S88-C90 PolarHBondContact OG-SG 2.81Å; C90-A96 HydrophobicContact CB-CB 3.79Å
91G96.5Very high96.4Very high4 Ų438.1 Ų38.14%0.04123%0.227CC..  trans84.4-168178.400000113.7M64 G66 Q68 S89 K93M64-G91 CarbonylContact O-C 3.58Å; M64-G91 WeakPolarHBondContact O-CA 3.4Å; G66-G91 PolarHBondContact O-N 2.96Å; Q68-G91 PolarHBondContact OE1-O 3.17Å; S89-G91 PolarHBondContact O-N 3.33Å; G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 2.9Å
92W98.4Very high95.9Very high0 Ų041 Ų410%024%0.239CC..SBendtrans-77.582.5175.9-63.36.4000108.8S6 W7 F22 L44 M50 M64 I65 F306 M309 P310 F313S6-W92 VanDerWaalsContact CA-O 3.29Å; S6-W92 WeakPolarHBondContact CA-O 3.34Å; W7-W92 HydrophobicContact CB-CB 4Å; W7-W92 HydrophobicContact CB-CE3 3.73Å; W7-W92 HydrophobicContact CG-CE3 4.1Å; W7-W92 PolarHBondContact N-O 3.29Å; F22-W92 HydrophobicContact CD1-CZ3 4.07Å; F22-W92 HydrophobicContact CE1-CH2 4.09Å; F22-W92 AromaticContact CE1-CZ3 3.76Å; F22-W92 HydrophobicContact CE1-CZ3 3.76Å; L44-W92 HydrophobicContact CD2-CB 4.25Å; L44-W92 HydrophobicContact CD2-CG 4.28Å; M50-W92 HydrophobicContact SD-CZ2 3.82Å; M64-W92 HydrophobicContact CB-CB 3.99Å; M64-W92 HydrophobicContact CB-CD2 3.49Å; M64-W92 VanDerWaalsContact CB-CD2 3.49Å; M64-W92 HydrophobicContact CB-CE3 3.61Å; M64-W92 HydrophobicContact CB-CG 3.68Å; M64-W92 HydrophobicContact CB-CZ3 4.24Å; M64-W92 HydrophobicContact CE-CH2 4.01Å; M64-W92 HydrophobicContact CE-CZ2 3.95Å; M64-W92 HydrophobicContact CE-CZ3 4.43Å; M64-W92 HydrophobicContact CG-CD2 4.22Å; M64-W92 HydrophobicContact CG-CE3 3.87Å; M64-W92 HydrophobicContact CG-CZ3 4.05Å; M64-W92 PolarHBondContact O-N 2.9Å; I65-W92 VanDerWaalsContact O-CD1 3.3Å; I65-W92 PolarHBondContact O-NE1 3.33Å; W92-F306 HydrophobicContact CB-CE2 4.36Å; W92-F306 HydrophobicContact CB-CZ 4.44Å; W92-F306 WeakPolarHBondContact O-CZ 3.24Å; W92-M309 HydrophobicContact CD2-CB 4.16Å; W92-M309 HydrophobicContact CD2-CE 3.4Å; W92-M309 HydrophobicContact CD2-CG 4.49Å; W92-M309 HydrophobicContact CE3-CB 3.68Å; W92-M309 HydrophobicContact CE3-CE 4.06Å; W92-M309 HydrophobicContact CE3-CG 4.45Å; W92-M309 HydrophobicContact CG-CE 3.6Å; W92-M309 HydrophobicContact CH2-CE 4.44Å; W92-M309 HydrophobicContact CZ2-CE 3.83Å; W92-M309 HydrophobicContact CZ3-CB 3.97Å; W92-M309 VanDerWaalsContact NE1-CE 3.31Å; W92-P310 HydrophobicContact CZ3-CG 4.36Å; W92-F313 HydrophobicContact CH2-CB 3.53Å; W92-F313 AromaticContact CH2-CD1 3.89Å; W92-F313 HydrophobicContact CH2-CD1 3.89Å; W92-F313 AromaticContact CH2-CG 3.76Å; W92-F313 HydrophobicContact CH2-CG 3.76Å; W92-F313 HydrophobicContact CZ2-CB 4.01Å; W92-F313 HydrophobicContact CZ2-CD2 4.48Å; W92-F313 HydrophobicContact CZ2-CG 4.1Å
93K97.9Very high95.8Very high38 Ų3837.4 Ų37.417%0.16522%0.216CC..BIsolated β-bridgetrans-134.4147.1174.1-64.1-152.2172.3-165.90111.5K5 E27 A41 V63 Q68 G91K5-K93 CarbonylContact O-C 3.57Å; K5-K93 VanDerWaalsContact O-CA 3.24Å; K5-K93 WeakPolarHBondContact O-CA 3.28Å; E27-K93 IonicContact OE1-NZ 2.81Å; E27-K93 PolarHBondContact OE1-NZ 3.41Å; A41-K93 VanDerWaalsContact CB-O 3.3Å; A41-K93 WeakPolarHBondContact CB-O 3.15Å; V63-K93 HydrophobicContact CG1-CD 4.47Å; V63-K93 HydrophobicContact CG1-CG 3.8Å; V63-K93 VanDerWaalsContact CG2-CE 3.46Å; Q68-K93 PolarHBondContact OE1-O 3.36Å; Q68-K93 VanDerWaalsContact OE1-O 3.11Å; G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 2.9Å
94T98.6Very high95.7Very high11 Ų1139.7 Ų39.77%0.06722%0.223CC..SBendtrans-80.5-33.8171.158.60000112.4K5 E40 A41 F306 V329K5-T94 HydrophobicContact CB-CG2 3.91Å; K5-T94 PolarHBondContact N-OG1 3.37Å; K5-T94 PolarHBondContact O-N 3.21Å; E40-T94 CarbonylContact C-O 3.53Å; E40-T94 WeakPolarHBondContact CA-O 3.37Å; A41-T94 PolarHBondContact N-O 3.14Å; T94-F306 HydrophobicContact CG2-CB 3.86Å; T94-F306 HydrophobicContact CG2-CD1 3.59Å; T94-F306 HydrophobicContact CG2-CD2 3.67Å; T94-F306 HydrophobicContact CG2-CE1 4.01Å; T94-F306 HydrophobicContact CG2-CE2 4.08Å; T94-F306 HydrophobicContact CG2-CG 3.4Å; T94-F306 HydrophobicContact CG2-CZ 4.23Å; T94-V329 HydrophobicContact CG2-CG1 3.8Å
95H98.6Very high95.7Very high25 Ų2542.1 Ų42.112%0.11623%0.233CC..EExtended strand (participates in β ladder)trans-136145.2175.5-64.185.1000111.1V2 Q3 S4 L29 L38 I39 E40V2-H95 HydrophobicContact CG1-CB 4.27Å; Q3-H95 PolarHBondContact O-ND1 3.44Å; S4-H95 PolarHBondContact OG-N 3Å; S4-H95 PolarHBondContact OG-O 2.7Å; L29-H95 HydrophobicContact CD1-CB 3.75Å; L38-H95 HydrophobicContact CD1-CB 4.43Å; I39-H95 VanDerWaalsContact O-CA 3.26Å; I39-H95 WeakPolarHBondContact O-CA 3.41Å; E40-H95 IonicContact OE1-NE2 2.77Å
96A97.6Very high95.6Very high7 Ų741 Ų416%0.05823%0.228CC..EExtended strand (participates in β ladder)trans-146142.3176.700000111.7I39 C90I39-A96 HydrophobicContact CD1-CB 4.39Å; I39-A96 HydrophobicContact CG1-CB 4.06Å; I39-A96 WeakPolarHBondContact CG1-O 3.47Å; I39-A96 PolarHBondContact N-O 3.04Å; I39-A96 PolarHBondContact O-N 2.91Å; C90-A96 HydrophobicContact CB-CB 3.79Å
97I97.5Very high95.1Very high44 Ų4442.8 Ų42.823%0.22624%0.238CC..EExtended strand (participates in β ladder)trans-88.7131.3162.7-60.7174.2000107.5L29 P30 E36 V37 L38L29-I97 HydrophobicContact CB-CD1 4.37Å; L29-I97 HydrophobicContact CD1-CG1 4.49Å; P30-I97 HydrophobicContact CG-CD1 3.71Å; P30-I97 VanDerWaalsContact O-CD1 3.3Å; P30-I97 WeakPolarHBondContact O-CD1 3.46Å; E36-I97 HydrophobicContact CB-CG2 3.84Å; E36-I97 HydrophobicContact CG-CG2 4.12Å; E36-I97 WeakPolarHBondContact OE2-CG2 3.33Å; V37-I97 CarbonylContact O-C 3.59Å; V37-I97 VanDerWaalsContact O-CA 3.27Å; V37-I97 WeakPolarHBondContact O-CA 3.3Å; L38-I97 HydrophobicContact CD1-CG1 4Å
98S96.5Very high94.6Very high11 Ų1146.8 Ų46.88%0.07727%0.274CS..EExtended strand (participates in β ladder)trans-126.6145.3175.7168.30000109.3E36 V37 G100E36-S98 CarbonylContact C-O 3.55Å; E36-S98 WeakPolarHBondContact CA-O 3.36Å; E36-S98 WeakPolarHBondContact CB-O 3.42Å; V37-S98 PolarHBondContact N-O 2.95Å; V37-S98 PolarHBondContact O-N 3.48Å; S98-G100 PolarHBondContact O-N 3.14Å; S98-G100 PolarHBondContact OG-N 2.9Å
99D95.3Very high94.2Very high74 Ų7451.8 Ų51.840%0.39630%0.301SS..  trans-788170.867.9-8.1000112.7G35 K101G35-D99 CarbonylContact O-C 3.59Å; D99-K101 VanDerWaalsContact C-N 3.28Å; D99-K101 PolarHBondContact O-N 2.91Å; D99-K101 VanDerWaalsContact OD1-CB 3.24Å; D99-K101 WeakPolarHBondContact OD1-CB 3.45Å; D99-K101 WeakPolarHBondContact OD1-CG 3.29Å; D99-K101 PolarHBondContact OD1-N 3.45Å; D99-K101 VanDerWaalsContact OD2-CD 3.29Å; D99-K101 WeakPolarHBondContact OD2-CD 3.44Å; D99-K101 VanDerWaalsContact OD2-CE 3.25Å; D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 3.39Å; D99-K101 PolarHBondContact OD2-NZ 2.77Å
100G92.4Very high94.1Very high14 Ų1450 Ų5014%0.14428%0.281CS..SBendtrans85.5-8.7-17700000114.1S98S98-G100 PolarHBondContact O-N 3.14Å; S98-G100 PolarHBondContact OG-N 2.9Å
101K88.6Confident94.1Very high141 Ų14149 Ų4961%0.61327%0.274SS*.THydrogen-bonded Turntrans-69.9144.3172.8-62.8178.6-167.4134.30109.9D99 L103D99-K101 VanDerWaalsContact C-N 3.28Å; D99-K101 PolarHBondContact O-N 2.91Å; D99-K101 VanDerWaalsContact OD1-CB 3.24Å; D99-K101 WeakPolarHBondContact OD1-CB 3.45Å; D99-K101 WeakPolarHBondContact OD1-CG 3.29Å; D99-K101 PolarHBondContact OD1-N 3.45Å; D99-K101 VanDerWaalsContact OD2-CD 3.29Å; D99-K101 WeakPolarHBondContact OD2-CD 3.44Å; D99-K101 VanDerWaalsContact OD2-CE 3.25Å; D99-K101 WeakPolarHBondContact OD2-CE 3.49Å; D99-K101 IonicContact OD2-NZ 3.39Å; D99-K101 PolarHBondContact OD2-NZ 2.77Å; K101-L103 PolarHBondContact O-N 3.08Å
102D86.3Confident93.8Very high135 Ų13559.3 Ų59.372%0.72232%0.318SS*.THydrogen-bonded Turntrans5718.3-179.7-52.7-42.5000114.9
103L95.2Very high93.4Very high17 Ų1766 Ų669%0.08935%0.354CS..  trans-92.6128.6166.1-63.6-168.9000109.8V37 I39 F80 V86 K101V37-L103 HydrophobicContact CG2-CD1 3.47Å; V37-L103 VanDerWaalsContact CG2-CD1 3.47Å; I39-L103 HydrophobicContact CD1-CD2 4.22Å; F80-L103 HydrophobicContact CD1-CB 4.38Å; F80-L103 HydrophobicContact CD1-CD1 4.4Å; F80-L103 HydrophobicContact CE1-CB 3.55Å; F80-L103 HydrophobicContact CE1-CD1 4.29Å; F80-L103 HydrophobicContact CE2-CB 4.43Å; F80-L103 HydrophobicContact CZ-CB 3.59Å; F80-L103 HydrophobicContact CZ-CD1 4.37Å; V86-L103 HydrophobicContact CG2-CD2 4.29Å; K101-L103 PolarHBondContact O-N 3.08Å
104T95.3Very high93.3Very high86 Ų8664.7 Ų64.753%0.52835%0.349SS..EExtended strand (participates in β ladder)trans-113.5116.4173.7-58.50000108.7V86 V87 L106V86-T104 CarbonylContact C-O 3.51Å; V86-T104 WeakPolarHBondContact CA-O 3.33Å; V87-T104 PolarHBondContact N-O 2.86Å; V87-T104 PolarHBondContact O-N 2.87Å; T104-L106 PolarHBondContact O-N 3.11Å
105L95.6Very high93.2Very high76 Ų7667 Ų6740%0.39836%0.364SS..EExtended strand (participates in β ladder)trans-58.2137.2170.1-81.2169.8000110A79 F80 V86A79-L105 WeakPolarHBondContact O-CD1 3.39Å; F80-L105 HydrophobicContact CD1-CD2 4.08Å; F80-L105 HydrophobicContact CD1-CG 3.95Å; F80-L105 HydrophobicContact CE1-CG 4.08Å; V86-L105 HydrophobicContact CG1-CD2 3.89Å; V86-L105 HydrophobicContact CG1-CG 4.42Å
106L94.8Very high93.1Very high24 Ų2468.3 Ų68.313%0.12637%0.371CS..PPolyproline II helixtrans-59.5151.4166.5-90.267.3000109.2V69 H85 V86 V87 T104 A108 W110 M116 A119V69-L106 HydrophobicContact CG1-CD1 4.42Å; V69-L106 HydrophobicContact CG1-CD2 4.42Å; H85-L106 HydrophobicContact CB-CB 4.5Å; H85-L106 HydrophobicContact CB-CD1 4.14Å; H85-L106 HydrophobicContact CB-CD2 4Å; H85-L106 HydrophobicContact CB-CG 4.44Å; H85-L106 PolarHBondContact O-N 3.38Å; V86-L106 VanDerWaalsContact C-CD1 3.48Å; V87-L106 HydrophobicContact CG2-CD1 3.81Å; T104-L106 PolarHBondContact O-N 3.11Å; L106-A108 PolarHBondContact O-N 2.92Å; L106-W110 HydrophobicContact CD2-CD2 4.39Å; L106-W110 HydrophobicContact CD2-CE3 4.4Å; L106-M116 HydrophobicContact CD2-CB 4.19Å; L106-M116 HydrophobicContact CD2-CG 4.12Å; L106-M116 HydrophobicContact CD2-SD 4.29Å; L106-A119 HydrophobicContact CD1-CB 4.37Å; L106-A119 HydrophobicContact CD2-CB 4.2Å; L106-A119 HydrophobicContact CG-CB 4.22Å
107M89.1Confident93.1Very high39 Ų3968.2 Ų68.219%0.19237%0.37CS..PPolyproline II helixtrans-53.4131.2179.1-63.5175.753.100110.4D109 W110 L284 K285M107-D109 WeakPolarHBondContact CB-OD1 3.47Å; M107-D109 VanDerWaalsContact CE-OD1 3.28Å; M107-D109 WeakPolarHBondContact CE-OD1 3.4Å; M107-D109 PolarHBondContact O-N 2.83Å; M107-D109 VanDerWaalsContact O-N 3.13Å; M107-W110 VanDerWaalsContact O-CB 3.31Å; M107-W110 WeakPolarHBondContact O-CB 3.31Å; M107-W110 PolarHBondContact O-N 3Å; M107-L284 HydrophobicContact SD-CB 4.27Å; M107-K285 HydrophobicContact CE-CG 3.53Å; M107-K285 HydrophobicContact SD-CG 4.45Å
108A85.9Confident93.1Very high115 Ų11566.2 Ų66.295%0.9536%0.359SS*.THydrogen-bonded Turntrans-60.2-26.2-178.300000112.8L106L106-A108 PolarHBondContact O-N 2.92Å
109D88.4Confident93.2Very high106 Ų10666 Ų6657%0.56736%0.359SS*.THydrogen-bonded Turntrans-97.620.417766-32.9000113.5M107 P111M107-D109 WeakPolarHBondContact CB-OD1 3.47Å; M107-D109 VanDerWaalsContact CE-OD1 3.28Å; M107-D109 WeakPolarHBondContact CE-OD1 3.4Å; M107-D109 PolarHBondContact O-N 2.83Å; M107-D109 VanDerWaalsContact O-N 3.13Å; D109-P111 WeakPolarHBondContact O-CD 3.41Å; D109-P111 VanDerWaalsContact O-N 3.15Å
110W94.5Very high93.3Very high41 Ų4162.6 Ų62.616%0.15534%0.341CS..  trans-54.4119.1173.7-168.5-80.7000110.4L106 M107 K112 V114 P115 L118 A119 I123 M288L106-W110 HydrophobicContact CD2-CD2 4.39Å; L106-W110 HydrophobicContact CD2-CE3 4.4Å; M107-W110 VanDerWaalsContact O-CB 3.31Å; M107-W110 WeakPolarHBondContact O-CB 3.31Å; M107-W110 PolarHBondContact O-N 3Å; W110-K112 PolarHBondContact O-N 2.89Å; W110-V114 HydrophobicContact CZ2-CG1 3.84Å; W110-V114 PolarHBondContact NE1-O 3.31Å; W110-P115 WeakPolarHBondContact CZ2-O 3.41Å; W110-L118 HydrophobicContact CH2-CB 4.19Å; W110-L118 HydrophobicContact CZ2-CB 4.14Å; W110-A119 HydrophobicContact CH2-CB 3.84Å; W110-A119 HydrophobicContact CZ3-CB 4.1Å; W110-I123 HydrophobicContact CH2-CB 3.95Å; W110-I123 HydrophobicContact CH2-CG1 4.49Å; W110-I123 HydrophobicContact CH2-CG2 4.13Å; W110-I123 HydrophobicContact CZ3-CB 4.3Å; W110-I123 HydrophobicContact CZ3-CG2 3.97Å; W110-M288 HydrophobicContact CD2-CE 3.82Å; W110-M288 HydrophobicContact CE3-CE 3.64Å; W110-M288 HydrophobicContact CH2-CE 3.84Å; W110-M288 HydrophobicContact CZ2-CE 3.98Å; W110-M288 HydrophobicContact CZ3-CE 3.66Å
111P93.3Very high93.6Very high20 Ų2062 Ų6213%0.1333%0.334CS..  trans-67.6137.6-173-18.530.4000112D109 N113 V114 M288 K292D109-P111 WeakPolarHBondContact O-CD 3.41Å; D109-P111 VanDerWaalsContact O-N 3.15Å; P111-N113 WeakPolarHBondContact CB-OD1 3.5Å; P111-N113 PolarHBondContact O-N 2.64Å; P111-N113 VanDerWaalsContact O-N 3.1Å; P111-V114 HydrophobicContact CB-CB 4.27Å; P111-V114 HydrophobicContact CB-CG2 3.7Å; P111-V114 HydrophobicContact CG-CB 4.47Å; P111-V114 HydrophobicContact CG-CG2 3.84Å; P111-V114 PolarHBondContact O-N 2.82Å; P111-M288 HydrophobicContact CG-SD 4.01Å; P111-K292 HydrophobicContact CG-CD 3.96Å; P111-K292 HydrophobicContact CG-CG 4.43Å
112K90.2Very high94.1Very high221 Ų22155.4 Ų55.496%0.96131%0.306SS*.THydrogen-bonded Turntrans-58.5-27.6-176.7-66.8-175.1178.6-179.20114.3W110W110-K112 PolarHBondContact O-N 2.89Å
113N91.1Very high94.6Very high142 Ų14249.1 Ų49.176%0.75927%0.272SS*.THydrogen-bonded Turntrans-92.43.5-179.765.7-40.7000113.6P111P111-N113 WeakPolarHBondContact CB-OD1 3.5Å; P111-N113 PolarHBondContact O-N 2.64Å; P111-N113 VanDerWaalsContact O-N 3.1Å
114V95.3Very high94.8Very high9 Ų948.6 Ų48.66%0.05527%0.271CS..SBendtrans-102122178.4177.50000108.8W110 P111 M116 L118 M288 Y291W110-V114 HydrophobicContact CZ2-CG1 3.84Å; W110-V114 PolarHBondContact NE1-O 3.31Å; P111-V114 HydrophobicContact CB-CB 4.27Å; P111-V114 HydrophobicContact CB-CG2 3.7Å; P111-V114 HydrophobicContact CG-CB 4.47Å; P111-V114 HydrophobicContact CG-CG2 3.84Å; P111-V114 PolarHBondContact O-N 2.82Å; V114-M116 PolarHBondContact O-N 3.31Å; V114-L118 HydrophobicContact CG1-CD1 3.74Å; V114-M288 HydrophobicContact CG1-CE 4.06Å; V114-M288 HydrophobicContact CG1-SD 4.35Å; V114-M288 HydrophobicContact CG2-SD 4.4Å; V114-Y291 HydrophobicContact CB-CE1 4.49Å; V114-Y291 HydrophobicContact CG1-CD1 4.3Å; V114-Y291 HydrophobicContact CG1-CE1 3.96Å; V114-Y291 HydrophobicContact CG2-CD1 4.15Å; V114-Y291 HydrophobicContact CG2-CE1 3.87Å
115P95.8Very high94.9Very high59 Ų5947.1 Ų47.138%0.38326%0.258SS..  trans-58.9128.8179.8-2433.6000112W110 S117 L118W110-P115 WeakPolarHBondContact CZ2-O 3.41Å; P115-S117 WeakPolarHBondContact CB-OG 3.49Å; P115-S117 PolarHBondContact O-N 2.73Å; P115-L118 WeakPolarHBondContact O-CB 3.46Å; P115-L118 WeakPolarHBondContact O-CG 3.39Å; P115-L118 PolarHBondContact O-N 2.67Å; P115-L118 VanDerWaalsContact O-N 3.16Å
116M96.4Very high95Very high54 Ų5443.6 Ų43.627%0.26624%0.24SC..G310 helixtrans-64.1-23-179.8-67.7-174.8-64.200113.1F43 V69 H85 L106 V114 L118 A119F43-M116 HydrophobicContact CE2-CB 4.34Å; V69-M116 HydrophobicContact CG1-CB 4.34Å; H85-M116 HydrophobicContact CB-SD 4.21Å; H85-M116 VanDerWaalsContact CG-SD 3.58Å; H85-M116 WeakPolarHBondContact NE2-CE 3.39Å; L106-M116 HydrophobicContact CD2-CB 4.19Å; L106-M116 HydrophobicContact CD2-CG 4.12Å; L106-M116 HydrophobicContact CD2-SD 4.29Å; V114-M116 PolarHBondContact O-N 3.31Å; M116-L118 PolarHBondContact O-N 3.32Å; M116-L118 VanDerWaalsContact O-N 3.12Å; M116-A119 WeakPolarHBondContact O-CB 3.37Å; M116-A119 PolarHBondContact O-N 2.96Å
117S97.8Very high95.2Very high4 Ų442.5 Ų42.53%0.02823%0.234CC..G310 helixtrans-53.1-28.817349.10000113.1P115 A119 V120 E300P115-S117 WeakPolarHBondContact CB-OG 3.49Å; P115-S117 PolarHBondContact O-N 2.73Å; S117-A119 PolarHBondContact O-N 3.48Å; S117-V120 WeakPolarHBondContact O-CG2 3.46Å; S117-V120 PolarHBondContact O-N 3.11Å; S117-E300 VanDerWaalsContact C-OE1 3.3Å; S117-E300 WeakPolarHBondContact CB-OE1 3.49Å; S117-E300 WeakPolarHBondContact CB-OE2 3.17Å; S117-E300 VanDerWaalsContact OG-CD 3.24Å; S117-E300 PolarHBondContact OG-OE1 3.13Å; S117-E300 VanDerWaalsContact OG-OE1 3.08Å; S117-E300 PolarHBondContact OG-OE2 2.91Å
118L98.2Very high95.7Very high2 Ų240.9 Ų40.91%0.0123%0.227CC..G310 helixtrans-61.6-19.4176-62.2-177.7000113.6W110 V114 P115 M116 V120 G121 A122 I123 G124 Y291 E300W110-L118 HydrophobicContact CH2-CB 4.19Å; W110-L118 HydrophobicContact CZ2-CB 4.14Å; V114-L118 HydrophobicContact CG1-CD1 3.74Å; P115-L118 WeakPolarHBondContact O-CB 3.46Å; P115-L118 WeakPolarHBondContact O-CG 3.39Å; P115-L118 PolarHBondContact O-N 2.67Å; P115-L118 VanDerWaalsContact O-N 3.16Å; M116-L118 PolarHBondContact O-N 3.32Å; M116-L118 VanDerWaalsContact O-N 3.12Å; L118-V120 PolarHBondContact O-N 3.08Å; L118-G121 CarbonylContact O-C 3.41Å; L118-G121 VanDerWaalsContact O-C 3.32Å; L118-G121 WeakPolarHBondContact O-CA 3.35Å; L118-G121 PolarHBondContact O-N 3.3Å; L118-A122 PolarHBondContact O-N 3.36Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CB-CG1 4.05Å; L118-I123 HydrophobicContact CD1-CG1 4.44Å; L118-I123 CarbonylContact O-C 3.53Å; L118-I123 WeakPolarHBondContact O-CA 3.48Å; L118-I123 PolarHBondContact O-N 2.96Å; L118-G124 PolarHBondContact O-N 3.12Å; L118-Y291 HydrophobicContact CD1-CD2 4.15Å; L118-Y291 HydrophobicContact CD1-CE1 4.12Å; L118-Y291 HydrophobicContact CD1-CE2 3.55Å; L118-E300 HydrophobicContact CD2-CG 4.32Å
119A98.1Very high96.3Very high7 Ų736 Ų366%0.05819%0.185CC..G310 helixtrans-66.6-19175.100000113.4V69 V87 L106 W110 M116 S117 I123 G124V69-A119 HydrophobicContact CG2-CB 3.92Å; V87-A119 HydrophobicContact CG2-CB 3.94Å; L106-A119 HydrophobicContact CD1-CB 4.37Å; L106-A119 HydrophobicContact CD2-CB 4.2Å; L106-A119 HydrophobicContact CG-CB 4.22Å; W110-A119 HydrophobicContact CH2-CB 3.84Å; W110-A119 HydrophobicContact CZ3-CB 4.1Å; M116-A119 WeakPolarHBondContact O-CB 3.37Å; M116-A119 PolarHBondContact O-N 2.96Å; S117-A119 PolarHBondContact O-N 3.48Å; A119-I123 WeakPolarHBondContact CA-O 3.26Å; A119-G124 WeakPolarHBondContact O-CA 3.37Å
120V97.9Very high96.8Very high3 Ų330.9 Ų30.92%0.01816%0.158CC..G310 helixtrans-10410.8168.5-68.90000112.7T67 V69 S117 L118 K324 I326T67-V120 HydrophobicContact CG2-CG1 3.98Å; V69-V120 HydrophobicContact CG2-CB 4.5Å; V69-V120 HydrophobicContact CG2-CG1 3.75Å; V69-V120 HydrophobicContact CG2-CG2 4.2Å; S117-V120 WeakPolarHBondContact O-CG2 3.46Å; S117-V120 PolarHBondContact O-N 3.11Å; L118-V120 PolarHBondContact O-N 3.08Å; V120-K324 VanDerWaalsContact O-CE 3.26Å; V120-K324 WeakPolarHBondContact O-CE 3.38Å; V120-I326 HydrophobicContact CG2-CG2 4.31Å
121G98.3Very high97Very high1 Ų129.1 Ų29.11%0.0115%0.151CC..THydrogen-bonded Turntrans-132.5-121.8-175.800000112.7L118 I123 G124 P126 G127L118-G121 CarbonylContact O-C 3.41Å; L118-G121 VanDerWaalsContact O-C 3.32Å; L118-G121 WeakPolarHBondContact O-CA 3.35Å; L118-G121 PolarHBondContact O-N 3.3Å; G121-I123 VanDerWaalsContact C-N 3.25Å; G121-I123 PolarHBondContact O-N 3.27Å; G121-G124 PolarHBondContact O-N 3.42Å; G121-G124 VanDerWaalsContact O-N 3.09Å; G121-P126 WeakPolarHBondContact O-CD 3.47Å; G121-G127 PolarHBondContact O-N 3.11Å; G121-G127 VanDerWaalsContact O-N 3.13Å
122A98.2Very high97.3Very high2 Ų228.9 Ų28.92%0.01715%0.148CC..THydrogen-bonded Turntrans-65.4-24-173.600000114.2L118 G127 V158L118-A122 PolarHBondContact O-N 3.36Å; A122-G127 WeakPolarHBondContact O-CA 3.33Å; A122-V158 HydrophobicContact CB-CG2 3.94Å
123I98.2Very high97.7Very high4 Ų418.4 Ų18.42%0.02110%0.102CC..THydrogen-bonded Turntrans-112.342.3173.7-40.5-60.3000109W110 L118 A119 G121 L284 L287 M288 L296W110-I123 HydrophobicContact CH2-CB 3.95Å; W110-I123 HydrophobicContact CH2-CG1 4.49Å; W110-I123 HydrophobicContact CH2-CG2 4.13Å; W110-I123 HydrophobicContact CZ3-CB 4.3Å; W110-I123 HydrophobicContact CZ3-CG2 3.97Å; L118-I123 HydrophobicContact CB-CB 4.36Å; L118-I123 HydrophobicContact CB-CG1 4.05Å; L118-I123 HydrophobicContact CD1-CG1 4.44Å; L118-I123 CarbonylContact O-C 3.53Å; L118-I123 WeakPolarHBondContact O-CA 3.48Å; L118-I123 PolarHBondContact O-N 2.96Å; A119-I123 WeakPolarHBondContact CA-O 3.26Å; G121-I123 VanDerWaalsContact C-N 3.25Å; G121-I123 PolarHBondContact O-N 3.27Å; I123-L284 HydrophobicContact CG2-CD2 4.29Å; I123-L284 WeakPolarHBondContact O-CD2 3.26Å; I123-L287 HydrophobicContact CD1-CB 3.76Å; I123-M288 HydrophobicContact CG1-CE 4.35Å; I123-M288 HydrophobicContact CG2-CB 4.18Å; I123-M288 HydrophobicContact CG2-CE 4.02Å; I123-L296 HydrophobicContact CD1-CD2 4.17Å
124G97.7Very high98Very high5 Ų511.6 Ų11.65%0.0527%0.066CC..SBendtrans-148.9-157.7-178.800000111.3L118 A119 G121 G127 L128L118-G124 PolarHBondContact O-N 3.12Å; A119-G124 WeakPolarHBondContact O-CA 3.37Å; G121-G124 PolarHBondContact O-N 3.42Å; G121-G124 VanDerWaalsContact O-N 3.09Å; G124-G127 PolarHBondContact O-N 3.01Å; G124-G127 VanDerWaalsContact O-N 3.09Å; G124-L128 WeakPolarHBondContact O-CG 3.33Å; G124-L128 PolarHBondContact O-N 3.04Å
125M97.8Very high98.2Very high55 Ų5513.9 Ų13.927%0.2718%0.076SC..Hα-helixtrans-52.4-44.7179.1179.8-74.3-68.500113.4Y49 G127 L128 T129 Q273Y49-M125 HydrophobicContact CD1-CE 4.48Å; Y49-M125 HydrophobicContact CE1-CE 3.98Å; M125-G127 PolarHBondContact O-N 3.11Å; M125-L128 PolarHBondContact O-N 3.5Å; M125-T129 WeakPolarHBondContact O-CB 3.2Å; M125-T129 PolarHBondContact O-N 3.41Å; M125-T129 PolarHBondContact O-OG1 3.47Å; M125-Q273 HydrophobicContact CG-CG 3.98Å; M125-Q273 HydrophobicContact SD-CG 4.41Å
126P98.5Very high98.3Very high3 Ų312.6 Ų12.62%0.0197%0.07CC..Hα-helixtrans-61.8-40.6176.2-26.135.6000113.8G121 T129 A130 A154 V155G121-P126 WeakPolarHBondContact O-CD 3.47Å; P126-T129 WeakPolarHBondContact O-CB 3.41Å; P126-T129 PolarHBondContact O-N 3.37Å; P126-A130 PolarHBondContact O-N 3.07Å; P126-A130 VanDerWaalsContact O-N 3.1Å; P126-A154 HydrophobicContact CB-CB 4.15Å; P126-V155 HydrophobicContact CB-CG2 4.06Å
127G98.8Very high98.5Very high0 Ų010.2 Ų10.20%06%0.059CC..Hα-helixtrans-65.7-42.9176.100000113.2G121 A122 G124 M125 T129 A130 L131 L287G121-G127 PolarHBondContact O-N 3.11Å; G121-G127 VanDerWaalsContact O-N 3.13Å; A122-G127 WeakPolarHBondContact O-CA 3.33Å; G124-G127 PolarHBondContact O-N 3.01Å; G124-G127 VanDerWaalsContact O-N 3.09Å; M125-G127 PolarHBondContact O-N 3.11Å; G127-T129 VanDerWaalsContact C-N 3.31Å; G127-T129 PolarHBondContact O-N 3.35Å; G127-A130 WeakPolarHBondContact O-CB 3.47Å; G127-A130 PolarHBondContact O-N 3.38Å; G127-L131 WeakPolarHBondContact O-CB 3.49Å; G127-L131 PolarHBondContact O-N 3.2Å; G127-L287 VanDerWaalsContact C-CD1 3.49Å
128L98.8Very high98.5Very high6 Ų610 Ų103%0.0316%0.057CC..Hα-helixtrans-62.5-39.2174.7-72.1170.5000111.7G124 M125 A130 L131 Y132 H280 L284 L287G124-L128 WeakPolarHBondContact O-CG 3.33Å; G124-L128 PolarHBondContact O-N 3.04Å; M125-L128 PolarHBondContact O-N 3.5Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.39Å; L128-L131 PolarHBondContact O-N 3.27Å; L128-Y132 HydrophobicContact CB-CD2 4.3Å; L128-Y132 HydrophobicContact CB-CE2 3.97Å; L128-Y132 HydrophobicContact CD2-CE2 3.86Å; L128-Y132 HydrophobicContact CG-CE2 4.45Å; L128-Y132 WeakPolarHBondContact O-CD2 3.39Å; L128-Y132 PolarHBondContact O-N 3.13Å; L128-H280 HydrophobicContact CD1-CB 4.01Å; L128-L284 HydrophobicContact CD1-CD2 3.86Å; L128-L284 HydrophobicContact CD1-CG 4.09Å; L128-L284 HydrophobicContact CD2-CD2 4.13Å; L128-L284 HydrophobicContact CD2-CG 4.17Å; L128-L284 HydrophobicContact CG-CD2 3.84Å; L128-L284 HydrophobicContact CG-CG 4.3Å; L128-L287 HydrophobicContact CD2-CD1 4.32Å; L128-L287 HydrophobicContact CG-CD1 4.46Å
129T98.9Very high98.5Very high11 Ų1115.9 Ų15.97%0.0678%0.083CC..Hα-helixtrans-59.9-45.2175.1-59.30000111.3M125 P126 G127 G133 V155 C240 F271M125-T129 WeakPolarHBondContact O-CB 3.2Å; M125-T129 PolarHBondContact O-N 3.41Å; M125-T129 PolarHBondContact O-OG1 3.47Å; P126-T129 WeakPolarHBondContact O-CB 3.41Å; P126-T129 PolarHBondContact O-N 3.37Å; G127-T129 VanDerWaalsContact C-N 3.31Å; G127-T129 PolarHBondContact O-N 3.35Å; T129-G133 PolarHBondContact O-N 3.46Å; T129-V155 HydrophobicContact CG2-CG1 4.1Å; T129-V155 HydrophobicContact CG2-CG2 4.29Å; T129-C240 WeakPolarHBondContact CG2-SG 3.31Å; T129-F271 HydrophobicContact CG2-CE2 3.92Å; T129-F271 HydrophobicContact CG2-CZ 3.92Å; T129-F271 WeakPolarHBondContact O-CE2 3.47Å; T129-F271 WeakPolarHBondContact O-CZ 3.2Å
130A98.9Very high98.5Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-63-47174.300000112P126 G127 L128 G133 V134 V155 V158 V159 I162P126-A130 PolarHBondContact O-N 3.07Å; P126-A130 VanDerWaalsContact O-N 3.1Å; G127-A130 WeakPolarHBondContact O-CB 3.47Å; G127-A130 PolarHBondContact O-N 3.38Å; L128-A130 VanDerWaalsContact C-N 3.34Å; L128-A130 PolarHBondContact O-N 3.39Å; A130-G133 PolarHBondContact O-N 2.82Å; A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 3.47Å; A130-V155 HydrophobicContact CB-CG1 4.16Å; A130-V158 HydrophobicContact CB-CB 3.65Å; A130-V158 HydrophobicContact CB-CG1 3.54Å; A130-V159 HydrophobicContact CB-CB 4.45Å; A130-V159 HydrophobicContact CB-CG2 3.53Å; A130-I162 HydrophobicContact CB-CD1 4.27Å
131L98.9Very high98.6Very high4 Ų421 Ų212%0.02111%0.106CC..Hα-helixtrans-58.3-54.5-178.5-179.367.8000111.9G127 L128 V134 E135 I162 G283 K286 W290G127-L131 WeakPolarHBondContact O-CB 3.49Å; G127-L131 PolarHBondContact O-N 3.2Å; L128-L131 PolarHBondContact O-N 3.27Å; L131-V134 PolarHBondContact O-N 3.48Å; L131-E135 VanDerWaalsContact CD1-CD 3.48Å; L131-E135 HydrophobicContact CD1-CG 4.11Å; L131-E135 WeakPolarHBondContact CD1-OE2 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.47Å; L131-E135 PolarHBondContact O-N 2.96Å; L131-I162 HydrophobicContact CB-CD1 4.08Å; L131-I162 HydrophobicContact CD1-CD1 4.11Å; L131-G283 VanDerWaalsContact CD2-CA 3.46Å; L131-K286 HydrophobicContact CD1-CD 4.24Å; L131-W290 HydrophobicContact CD1-CH2 3.98Å; L131-W290 HydrophobicContact CD1-CZ3 3.86Å
132Y98.9Very high98.6Very high15 Ų1529.5 Ų29.56%0.05914%0.143CC..Hα-helixtrans-70.9-35-178-60.6-52.8000112.4L128 V134 A136 V137 Q273 W276 D279 H280L128-Y132 HydrophobicContact CB-CD2 4.3Å; L128-Y132 HydrophobicContact CB-CE2 3.97Å; L128-Y132 HydrophobicContact CD2-CE2 3.86Å; L128-Y132 HydrophobicContact CG-CE2 4.45Å; L128-Y132 WeakPolarHBondContact O-CD2 3.39Å; L128-Y132 PolarHBondContact O-N 3.13Å; Y132-V134 VanDerWaalsContact C-N 3.32Å; Y132-V134 PolarHBondContact O-N 3.21Å; Y132-A136 WeakPolarHBondContact O-CA 3.32Å; Y132-A136 VanDerWaalsContact O-CB 3.28Å; Y132-A136 WeakPolarHBondContact O-CB 3.45Å; Y132-A136 PolarHBondContact O-N 2.88Å; Y132-V137 PolarHBondContact O-N 3.34Å; Y132-Q273 HydrophobicContact CD2-CB 4.25Å; Y132-W276 HydrophobicContact CD1-CB 3.94Å; Y132-W276 AromaticContact CD1-CD2 3.96Å; Y132-W276 HydrophobicContact CD1-CD2 3.96Å; Y132-W276 HydrophobicContact CD1-CE3 4.29Å; Y132-W276 AromaticContact CD1-CG 3.8Å; Y132-W276 HydrophobicContact CD1-CG 3.8Å; Y132-W276 HydrophobicContact CD2-CB 3.98Å; Y132-W276 HydrophobicContact CD2-CD2 4.28Å; Y132-W276 AromaticContact CD2-CE3 3.9Å; Y132-W276 HydrophobicContact CD2-CE3 3.9Å; Y132-W276 HydrophobicContact CD2-CG 4.34Å; Y132-W276 HydrophobicContact CE1-CB 3.64Å; Y132-W276 AromaticContact CE1-CG 3.94Å; Y132-W276 HydrophobicContact CE1-CG 3.94Å; Y132-W276 HydrophobicContact CE2-CB 3.69Å; Y132-W276 HydrophobicContact CE2-CG 4.47Å; Y132-W276 HydrophobicContact CG-CB 4.11Å; Y132-W276 AromaticContact CG-CD2 3.82Å; Y132-W276 HydrophobicContact CG-CD2 3.82Å; Y132-W276 AromaticContact CG-CE3 3.66Å; Y132-W276 HydrophobicContact CG-CE3 3.66Å; Y132-W276 HydrophobicContact CG-CG 4.03Å; Y132-W276 HydrophobicContact CG-CZ3 4.38Å; Y132-D279 HydrophobicContact CE1-CB 4.38Å; Y132-D279 PolarHBondContact OH-O 2.87Å; Y132-H280 AromaticContact CE2-CD2 3.65Å; Y132-H280 AromaticContact CE2-NE2 3.97Å; Y132-H280 WeakPolarHBondContact OH-CA 3.24Å; Y132-H280 PolarHBondContact OH-CD2 2.97Å; Y132-H280 PolarHBondContact OH-N 2.83Å
133G98.8Very high98.6Very high0 Ų032.3 Ų32.30%017%0.172CC..Iπ-helixtrans-62.3-40.2174.600000112T129 A130 V137 L138T129-G133 PolarHBondContact O-N 3.46Å; A130-G133 PolarHBondContact O-N 2.82Å; G133-V137 WeakPolarHBondContact O-CB 3.28Å; G133-L138 WeakPolarHBondContact O-CB 3.44Å; G133-L138 VanDerWaalsContact O-CG 3.26Å; G133-L138 WeakPolarHBondContact O-CG 3.48Å; G133-L138 PolarHBondContact O-N 3.23Å
134V98.9Very high98.6Very high0 Ų033.5 Ų33.50%018%0.178CC..Iπ-helixtrans-74.9-50.2177177.50000112.3A130 L131 Y132 K139 A140 V159 I162 F216A130-V134 WeakPolarHBondContact O-CG2 3.45Å; A130-V134 PolarHBondContact O-N 3.47Å; L131-V134 PolarHBondContact O-N 3.48Å; Y132-V134 VanDerWaalsContact C-N 3.32Å; Y132-V134 PolarHBondContact O-N 3.21Å; V134-K139 WeakPolarHBondContact O-CA 3.32Å; V134-K139 PolarHBondContact O-N 3.41Å; V134-A140 HydrophobicContact CG1-CB 3.84Å; V134-A140 PolarHBondContact O-N 2.87Å; V134-A140 VanDerWaalsContact O-N 3.13Å; V134-V159 HydrophobicContact CG2-CB 4.32Å; V134-V159 HydrophobicContact CG2-CG1 3.77Å; V134-V159 HydrophobicContact CG2-CG2 4.4Å; V134-I162 HydrophobicContact CB-CG2 3.96Å; V134-I162 HydrophobicContact CG1-CG2 3.76Å; V134-I162 HydrophobicContact CG2-CB 4.5Å; V134-I162 HydrophobicContact CG2-CG2 4.33Å; V134-F216 HydrophobicContact CG2-CD2 4.35Å; V134-F216 HydrophobicContact CG2-CE2 4.49Å
135E98.8Very high98.7Very high57 Ų5733.9 Ų33.927%0.26618%0.179SC..Iπ-helixtrans-86-36.5-169-62.4-167.7162.500113.6L131 K139 H166 K286L131-E135 VanDerWaalsContact CD1-CD 3.48Å; L131-E135 HydrophobicContact CD1-CG 4.11Å; L131-E135 WeakPolarHBondContact CD1-OE2 3.27Å; L131-E135 WeakPolarHBondContact O-CB 3.47Å; L131-E135 PolarHBondContact O-N 2.96Å; E135-K139 WeakPolarHBondContact O-CA 3.48Å; E135-H166 IonicContact OE1-CD2 3.55Å; E135-H166 IonicContact OE1-CE1 3.2Å; E135-H166 PolarHBondContact OE1-CE1 3.5Å; E135-H166 IonicContact OE1-NE2 2.64Å; E135-H166 PolarHBondContact OE1-NE2 2.98Å; E135-K286 WeakPolarHBondContact OE1-CE 3.29Å; E135-K286 IonicContact OE1-NZ 3.47Å; E135-K286 PolarHBondContact OE1-NZ 2.86Å; E135-K286 IonicContact OE2-NZ 2.94Å; E135-K286 PolarHBondContact OE2-NZ 2.9Å
136A98.5Very high98.7Very high32 Ų3231.2 Ų31.226%0.26417%0.166SC..Iπ-helixtrans-98.1-42.6-174.700000112.7Y132 K139 W276Y132-A136 WeakPolarHBondContact O-CA 3.32Å; Y132-A136 VanDerWaalsContact O-CB 3.28Å; Y132-A136 WeakPolarHBondContact O-CB 3.45Å; Y132-A136 PolarHBondContact O-N 2.88Å; A136-K139 WeakPolarHBondContact O-CE 3.33Å; A136-K139 WeakPolarHBondContact O-CG 3.01Å; A136-W276 HydrophobicContact CB-CH2 4.21Å; A136-W276 HydrophobicContact CB-CZ2 3.51Å
137V98.8Very high98.8Very high3 Ų331.1 Ų31.12%0.01817%0.165CC..Iπ-helixtrans-85.4-58.1-175.9-175.30000111.3Y132 G133 A238 E269 F271 W276Y132-V137 PolarHBondContact O-N 3.34Å; G133-V137 WeakPolarHBondContact O-CB 3.28Å; V137-A238 HydrophobicContact CB-CB 4.01Å; V137-A238 HydrophobicContact CG1-CB 3.58Å; V137-E269 HydrophobicContact CG1-CB 3.88Å; V137-E269 HydrophobicContact CG1-CG 4.08Å; V137-F271 HydrophobicContact CG2-CB 3.88Å; V137-F271 HydrophobicContact CG2-CD1 3.99Å; V137-F271 HydrophobicContact CG2-CD2 4.27Å; V137-F271 HydrophobicContact CG2-CG 3.79Å; V137-W276 HydrophobicContact CG2-CH2 3.8Å
138L98.9Very high98.8Very high0 Ų031.1 Ų31.10%017%0.165CC..Iπ-helixtrans-73.8-32.6178.1-66.7175.1000111.9G133 A140 L146 C214 F216 R236 A238G133-L138 WeakPolarHBondContact O-CB 3.44Å; G133-L138 VanDerWaalsContact O-CG 3.26Å; G133-L138 WeakPolarHBondContact O-CG 3.48Å; G133-L138 PolarHBondContact O-N 3.23Å; L138-A140 PolarHBondContact O-N 3.38Å; L138-L146 HydrophobicContact CD1-CD1 3.71Å; L138-L146 HydrophobicContact CD1-CG 4.39Å; L138-C214 HydrophobicContact CB-CB 4.49Å; L138-C214 HydrophobicContact CD1-CB 4.14Å; L138-C214 HydrophobicContact CD2-CB 4.05Å; L138-C214 HydrophobicContact CG-CB 4.45Å; L138-F216 HydrophobicContact CD1-CB 4.27Å; L138-F216 HydrophobicContact CD1-CD2 3.99Å; L138-R236 HydrophobicContact CD2-CB 3.97Å; L138-R236 WeakPolarHBondContact CD2-O 3.38Å; L138-R236 WeakPolarHBondContact O-CD 2.95Å; L138-A238 HydrophobicContact CD1-CB 4.22Å; L138-A238 HydrophobicContact CD2-CB 3.75Å; L138-A238 HydrophobicContact CG-CB 3.68Å
139K98.7Very high98.8Very high125 Ų12530.8 Ų30.854%0.54316%0.164SC..  trans49.746.2-171.2-56.9-178.4177.7-176.70110.6V134 E135 A136 Q141V134-K139 WeakPolarHBondContact O-CA 3.32Å; V134-K139 PolarHBondContact O-N 3.41Å; E135-K139 WeakPolarHBondContact O-CA 3.48Å; A136-K139 WeakPolarHBondContact O-CE 3.33Å; A136-K139 WeakPolarHBondContact O-CG 3.01Å; K139-Q141 WeakPolarHBondContact O-CG 3.49Å; K139-Q141 PolarHBondContact O-N 2.95Å; K139-Q141 PolarHBondContact O-NE2 2.87Å
140A98.5Very high98.7Very high5 Ų532.1 Ų32.14%0.04118%0.176CC..  trans-58135.3-172.700000111.1V134 L138 E144 L146V134-A140 HydrophobicContact CG1-CB 3.84Å; V134-A140 PolarHBondContact O-N 2.87Å; V134-A140 VanDerWaalsContact O-N 3.13Å; L138-A140 PolarHBondContact O-N 3.38Å; A140-E144 WeakPolarHBondContact CA-OE2 2.9Å; A140-L146 HydrophobicContact CB-CD1 4.14Å
141Q98.3Very high98.7Very high112 Ų11232.1 Ų32.152%0.52318%0.176SC..  trans-114.3157.6-176.8-58.2-59.2-5200111.5K139 G143 E144 C168K139-Q141 WeakPolarHBondContact O-CG 3.49Å; K139-Q141 PolarHBondContact O-N 2.95Å; K139-Q141 PolarHBondContact O-NE2 2.87Å; Q141-G143 PolarHBondContact O-N 2.97Å; Q141-E144 HydrophobicContact CB-CG 4.07Å; Q141-E144 PolarHBondContact N-OE2 3.37Å; Q141-E144 WeakPolarHBondContact O-CB 3.18Å; Q141-E144 PolarHBondContact O-N 3.34Å; Q141-E144 VanDerWaalsContact O-N 3.17Å; Q141-C168 PolarHBondContact O-SG 2.64Å
142K98.7Very high98.7Very high180 Ų18032 Ų3278%0.78318%0.176SC*.THydrogen-bonded Turntrans-55.6133.9173.6-177.8179.7178.3-177.40110.7E144 H166K142-E144 VanDerWaalsContact C-N 3.29Å; K142-E144 PolarHBondContact O-N 2.89Å; K142-H166 VanDerWaalsContact CA-O 3.25Å; K142-H166 WeakPolarHBondContact CA-O 3.2Å; K142-H166 WeakPolarHBondContact CB-O 3.41Å; K142-H166 PolarHBondContact N-O 2.92Å
143G98.4Very high98.6Very high62 Ų6232.2 Ų32.264%0.63918%0.182SC*.THydrogen-bonded Turntrans86-12.4179.600000114.9Q141 G167Q141-G143 PolarHBondContact O-N 2.97Å; G143-G167 PolarHBondContact N-O 3.3Å
144E98.8Very high98.6Very high28 Ų2833.2 Ų33.213%0.13119%0.19CC..  trans-71.6152.4175.3-70.1-173.4146.100111.9A140 Q141 K142 C168 K169 D213 R236A140-E144 WeakPolarHBondContact CA-OE2 2.9Å; Q141-E144 HydrophobicContact CB-CG 4.07Å; Q141-E144 PolarHBondContact N-OE2 3.37Å; Q141-E144 WeakPolarHBondContact O-CB 3.18Å; Q141-E144 PolarHBondContact O-N 3.34Å; Q141-E144 VanDerWaalsContact O-N 3.17Å; K142-E144 VanDerWaalsContact C-N 3.29Å; K142-E144 PolarHBondContact O-N 2.89Å; E144-C168 CarbonylContact O-C 3.3Å; E144-C168 VanDerWaalsContact O-CA 3.26Å; E144-C168 WeakPolarHBondContact O-CA 3.34Å; E144-C168 VanDerWaalsContact O-CB 3.28Å; E144-C168 WeakPolarHBondContact O-CB 3.45Å; E144-K169 PolarHBondContact O-N 3.16Å; E144-D213 HydrophobicContact CB-CB 3.72Å; E144-D213 HydrophobicContact CG-CB 3.9Å; E144-R236 IonicContact OE1-CZ 2.7Å; E144-R236 IonicContact OE1-NH1 2.88Å; E144-R236 PolarHBondContact OE1-NH1 2.87Å; E144-R236 IonicContact OE1-NH2 2.64Å; E144-R236 PolarHBondContact OE1-NH2 2.88Å; E144-R236 IonicContact OE2-CZ 2.65Å; E144-R236 IonicContact OE2-NH1 3.99Å; E144-R236 IonicContact OE2-NH2 3.97Å
145T98.9Very high98.6Very high13 Ų1334.4 Ų34.48%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-99.5120173.6-57.30000110.8K169 V171 A208 Y212 D213 C214T145-K169 CarbonylContact C-O 3.55Å; T145-K169 WeakPolarHBondContact CA-O 3.43Å; T145-K169 HydrophobicContact CG2-CB 4.38Å; T145-K169 HydrophobicContact CG2-CD 4.26Å; T145-K169 HydrophobicContact CG2-CG 4.38Å; T145-V171 HydrophobicContact CG2-CG2 4.12Å; T145-A208 HydrophobicContact CG2-CB 3.93Å; T145-Y212 HydrophobicContact CG2-CD1 3.83Å; T145-Y212 HydrophobicContact CG2-CE1 4.18Å; T145-D213 PolarHBondContact N-OD2 3.21Å; T145-D213 PolarHBondContact O-N 3.28Å; T145-C214 PolarHBondContact O-N 2.91Å; T145-C214 VanDerWaalsContact O-N 3.11Å
146L98.9Very high98.6Very high0 Ų031.7 Ų31.70%019%0.185CC..EExtended strand (participates in β ladder)trans-110.5121-178.1-169.5152.4000111.1L138 A140 V148 V159 A163 K169 V170 V171 C214L138-L146 HydrophobicContact CD1-CD1 3.71Å; L138-L146 HydrophobicContact CD1-CG 4.39Å; A140-L146 HydrophobicContact CB-CD1 4.14Å; L146-V148 HydrophobicContact CD2-CG2 3.25Å; L146-V159 HydrophobicContact CD2-CG1 3.95Å; L146-A163 HydrophobicContact CB-CB 4.48Å; L146-A163 HydrophobicContact CD1-CB 3.88Å; L146-A163 HydrophobicContact CD2-CB 4.43Å; L146-K169 PolarHBondContact N-O 3.37Å; L146-V170 WeakPolarHBondContact O-CA 3.39Å; L146-V171 PolarHBondContact O-N 3.46Å; L146-C214 CarbonylContact C-O 3.52Å; L146-C214 WeakPolarHBondContact CA-O 3.34Å; L146-C214 HydrophobicContact CB-CB 4Å; L146-C214 HydrophobicContact CD1-CB 3.83Å; L146-C214 HydrophobicContact CG-CB 3.71Å
147L98.9Very high98.6Very high0 Ų030.3 Ų30.30%017%0.173CC..EExtended strand (participates in β ladder)trans-87.1138.1170.1-179.360.9000110.6V171 L204 Y212 C214 F215 F216 F223 A227L147-V171 CarbonylContact C-O 3.58Å; L147-V171 WeakPolarHBondContact CA-O 3.46Å; L147-V171 HydrophobicContact CD1-CB 4.18Å; L147-V171 HydrophobicContact CD1-CG1 3.94Å; L147-L204 HydrophobicContact CD1-CD2 3.96Å; L147-L204 HydrophobicContact CD2-CD2 3.68Å; L147-Y212 HydrophobicContact CB-CD1 3.56Å; L147-Y212 HydrophobicContact CB-CE1 3.8Å; L147-Y212 HydrophobicContact CB-CG 4.03Å; L147-Y212 HydrophobicContact CD1-CE1 4.06Å; L147-Y212 HydrophobicContact CD2-CD2 4.43Å; L147-Y212 HydrophobicContact CD2-CE1 4.48Å; L147-Y212 HydrophobicContact CD2-CE2 4.37Å; L147-Y212 HydrophobicContact CG-CD1 4.48Å; L147-Y212 HydrophobicContact CG-CE1 4.33Å; L147-C214 PolarHBondContact N-O 3.2Å; L147-F215 HydrophobicContact CB-CB 4.32Å; L147-F215 HydrophobicContact CB-CD2 3.76Å; L147-F215 HydrophobicContact CB-CG 4.34Å; L147-F215 HydrophobicContact CD2-CD2 3.68Å; L147-F215 HydrophobicContact CD2-CE2 3.84Å; L147-F215 HydrophobicContact CD2-CG 4.17Å; L147-F215 HydrophobicContact CD2-CZ 4.42Å; L147-F215 HydrophobicContact CG-CD2 3.62Å; L147-F215 HydrophobicContact CG-CE2 3.9Å; L147-F215 HydrophobicContact CG-CG 4.46Å; L147-F215 WeakPolarHBondContact O-CA 3.22Å; L147-F215 WeakPolarHBondContact O-CD2 3.46Å; L147-F216 PolarHBondContact O-N 2.96Å; L147-F223 HydrophobicContact CD2-CE1 4.11Å; L147-A227 HydrophobicContact CD2-CB 3.82Å
148V98.9Very high98.6Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-128.9123.4170.4-168.30000108.6L146 A151 V159 V170 V171 G172 S173 F188 F216L146-V148 HydrophobicContact CD2-CG2 3.25Å; V148-A151 HydrophobicContact CB-CB 3.93Å; V148-A151 HydrophobicContact CG1-CB 3.88Å; V148-A151 WeakPolarHBondContact O-CB 3.37Å; V148-V159 HydrophobicContact CG1-CB 4.44Å; V148-V159 HydrophobicContact CG1-CG1 4.29Å; V148-V159 HydrophobicContact CG2-CB 4.38Å; V148-V159 HydrophobicContact CG2-CG1 3.6Å; V148-V170 HydrophobicContact CG2-CG1 4.29Å; V148-V171 PolarHBondContact N-O 3.29Å; V148-G172 CarbonylContact O-C 3.12Å; V148-G172 WeakPolarHBondContact O-CA 3.4Å; V148-S173 PolarHBondContact O-N 3.26Å; V148-F188 HydrophobicContact CB-CE1 4.3Å; V148-F188 HydrophobicContact CG2-CE1 4.26Å; V148-F216 HydrophobicContact CG2-CB 4.48Å
149N98.7Very high98.6Very high0 Ų030.1 Ų30.10%017%0.172CC..SBendtrans-99.3161.8166.367.69.5000111A151 F215 F216 E217 N218 V219 F223N149-A151 PolarHBondContact O-N 2.97Å; N149-A151 VanDerWaalsContact O-N 3.14Å; N149-F215 HydrophobicContact CB-CE2 4.23Å; N149-F215 WeakPolarHBondContact ND2-CZ 3.21Å; N149-F216 PolarHBondContact OD1-O 3.14Å; N149-E217 PolarHBondContact ND2-OE1 2.89Å; N149-E217 PolarHBondContact OD1-OE1 3.45Å; N149-N218 PolarHBondContact O-ND2 3.46Å; N149-N218 WeakPolarHBondContact OD1-CB 3.3Å; N149-N218 PolarHBondContact OD1-N 3.19Å; N149-V219 HydrophobicContact CB-CB 4.48Å; N149-V219 HydrophobicContact CB-CG2 3.83Å; N149-V219 WeakPolarHBondContact ND2-CB 3.36Å; N149-V219 PolarHBondContact OD1-N 2.99Å; N149-F223 HydrophobicContact CB-CD1 3.89Å; N149-F223 HydrophobicContact CB-CE1 3.5Å; N149-F223 VanDerWaalsContact CB-CE1 3.5Å; N149-F223 HydrophobicContact CB-CE2 4.17Å; N149-F223 HydrophobicContact CB-CG 4.41Å; N149-F223 HydrophobicContact CB-CZ 3.66Å; N149-F223 VanDerWaalsContact ND2-CD1 3.29Å; N149-F223 WeakPolarHBondContact ND2-CD1 3.47Å
150A98.3Very high98.6Very high39 Ų3924.2 Ų24.232%0.32215%0.146SC..SBendtrans47.737.1-162.600000111.8A152 G153 S173 N218 V219A150-A152 PolarHBondContact O-N 2.9Å; A150-A152 VanDerWaalsContact O-N 3.12Å; A150-G153 PolarHBondContact O-N 3.09Å; A150-S173 PolarHBondContact N-O 3.44Å; A150-N218 HydrophobicContact CB-CB 4Å; A150-V219 HydrophobicContact CB-CG2 3.76Å
151A98.7Very high98.6Very high0 Ų024.3 Ų24.30%015%0.146CC..THydrogen-bonded Turntrans-63.9-27.2-165.200000112.8V148 N149 G153 G156 T157 S173 L183 F188V148-A151 HydrophobicContact CB-CB 3.93Å; V148-A151 HydrophobicContact CG1-CB 3.88Å; V148-A151 WeakPolarHBondContact O-CB 3.37Å; N149-A151 PolarHBondContact O-N 2.97Å; N149-A151 VanDerWaalsContact O-N 3.14Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.2Å; A151-G156 CarbonylContact O-C 3.56Å; A151-T157 WeakPolarHBondContact O-CA 3.31Å; A151-T157 VanDerWaalsContact O-CG2 3.3Å; A151-T157 WeakPolarHBondContact O-CG2 3.47Å; A151-T157 PolarHBondContact O-N 2.91Å; A151-S173 PolarHBondContact N-O 2.9Å; A151-L183 HydrophobicContact CB-CD1 3.66Å; A151-L183 HydrophobicContact CB-CD2 3.78Å; A151-L183 HydrophobicContact CB-CG 4.38Å; A151-L183 WeakPolarHBondContact O-CD2 3.02Å; A151-F188 HydrophobicContact CB-CE1 3.83Å; A151-F188 HydrophobicContact CB-CZ 4.14Å
152A98.4Very high98.7Very high2 Ų219 Ų192%0.01712%0.121CC..THydrogen-bonded Turntrans-84.86.5178.700000113.9A150 A174 K179 L183 G323A150-A152 PolarHBondContact O-N 2.9Å; A150-A152 VanDerWaalsContact O-N 3.12Å; A152-A174 HydrophobicContact CB-CB 4.02Å; A152-K179 HydrophobicContact CB-CB 3.57Å; A152-K179 HydrophobicContact CB-CD 4.03Å; A152-K179 HydrophobicContact CB-CG 3.73Å; A152-L183 HydrophobicContact CB-CD1 4.46Å; A152-L183 HydrophobicContact CB-CD2 4.27Å; A152-L183 HydrophobicContact CB-CG 4.21Å; A152-G323 WeakPolarHBondContact O-CA 3.34Å; A152-G323 PolarHBondContact O-N 3.31Å
153G97.8Very high98.7Very high19 Ų1910.4 Ų10.420%0.1968%0.084CC..BIsolated β-bridgetrans-85.1-179.1175.100000113.6A150 A151 V155 T157A150-G153 PolarHBondContact O-N 3.09Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.2Å; G153-V155 PolarHBondContact O-N 3.15Å; G153-T157 WeakPolarHBondContact O-CB 3.3Å; G153-T157 VanDerWaalsContact O-CG2 3.22Å; G153-T157 WeakPolarHBondContact O-CG2 3.5Å; G153-T157 PolarHBondContact O-N 3.08Å; G153-T157 VanDerWaalsContact O-N 3.1Å; G153-T157 PolarHBondContact O-OG1 3.05Å
154A97.5Very high98.7Very high20 Ų2010.7 Ų10.717%0.1657%0.067CC..Hα-helixtrans-55.9-50.5-177.200000113.6P126 T157 V158 K324P126-A154 HydrophobicContact CB-CB 4.15Å; A154-T157 PolarHBondContact O-OG1 3.32Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; A154-K324 HydrophobicContact CB-CB 3.92Å; A154-K324 HydrophobicContact CB-CD 3.51Å; A154-K324 HydrophobicContact CB-CG 4.25Å
155V98.8Very high98.7Very high25 Ų2512.1 Ų12.115%0.1528%0.075CC..Hα-helixtrans-75.7-50.1179.5178.20000110.4P126 T129 A130 G153 T157 V158 V159 F216P126-V155 HydrophobicContact CB-CG2 4.06Å; T129-V155 HydrophobicContact CG2-CG1 4.1Å; T129-V155 HydrophobicContact CG2-CG2 4.29Å; A130-V155 HydrophobicContact CB-CG1 4.16Å; G153-V155 PolarHBondContact O-N 3.15Å; V155-T157 VanDerWaalsContact C-N 3.29Å; V155-T157 PolarHBondContact O-N 2.66Å; V155-V158 PolarHBondContact O-N 2.85Å; V155-V159 HydrophobicContact CG1-CG2 3.9Å; V155-V159 WeakPolarHBondContact O-CG2 3.42Å; V155-V159 PolarHBondContact O-N 2.9Å; V155-F216 HydrophobicContact CG1-CE1 3.59Å; V155-F216 HydrophobicContact CG1-CZ 3.65Å
156G98.8Very high98.6Very high1 Ų114.6 Ų14.61%0.019%0.086CC..Hα-helixtrans-57.4-37.7-173.500000114.4A151 V158 V159 G160A151-G156 CarbonylContact O-C 3.56Å; G156-V158 VanDerWaalsContact C-N 3.32Å; G156-V158 PolarHBondContact O-N 3.37Å; G156-V159 PolarHBondContact O-N 3.1Å; G156-G160 PolarHBondContact O-N 2.92Å; G156-G160 VanDerWaalsContact O-N 3.08Å
157T98.7Very high98.6Very high2 Ų216.3 Ų16.31%0.01210%0.103CC..Hα-helixtrans-67.7-35.3179.251.20000111.8A151 G153 A154 V155 Q161 Y182 L186A151-T157 WeakPolarHBondContact O-CA 3.31Å; A151-T157 VanDerWaalsContact O-CG2 3.3Å; A151-T157 WeakPolarHBondContact O-CG2 3.47Å; A151-T157 PolarHBondContact O-N 2.91Å; G153-T157 WeakPolarHBondContact O-CB 3.3Å; G153-T157 VanDerWaalsContact O-CG2 3.22Å; G153-T157 WeakPolarHBondContact O-CG2 3.5Å; G153-T157 PolarHBondContact O-N 3.08Å; G153-T157 VanDerWaalsContact O-N 3.1Å; G153-T157 PolarHBondContact O-OG1 3.05Å; A154-T157 PolarHBondContact O-OG1 3.32Å; V155-T157 VanDerWaalsContact C-N 3.29Å; V155-T157 PolarHBondContact O-N 2.66Å; T157-Q161 WeakPolarHBondContact O-CG 3.49Å; T157-Q161 PolarHBondContact O-N 3.46Å; T157-Q161 PolarHBondContact O-NE2 3.34Å; T157-Y182 HydrophobicContact CG2-CD1 4.47Å; T157-Y182 HydrophobicContact CG2-CE1 3.7Å; T157-L186 HydrophobicContact CG2-CD1 3.72Å
158V98.9Very high98.6Very high0 Ų016.5 Ų16.50%010%0.104CC..Hα-helixtrans-74-42.9176-177.80000110A122 A130 A154 V155 G156 G160 Q161 I162 L287 L296A122-V158 HydrophobicContact CB-CG2 3.94Å; A130-V158 HydrophobicContact CB-CB 3.65Å; A130-V158 HydrophobicContact CB-CG1 3.54Å; A154-V158 WeakPolarHBondContact O-CG2 3.47Å; V155-V158 PolarHBondContact O-N 2.85Å; G156-V158 VanDerWaalsContact C-N 3.32Å; G156-V158 PolarHBondContact O-N 3.37Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 2.94Å; V158-Q161 PolarHBondContact O-N 3.21Å; V158-I162 HydrophobicContact CG1-CD1 3.66Å; V158-I162 HydrophobicContact CG1-CG1 4.1Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.07Å; V158-I162 PolarHBondContact O-N 3.06Å; V158-L287 HydrophobicContact CG1-CD2 4.16Å; V158-L296 HydrophobicContact CB-CD1 4.41Å; V158-L296 HydrophobicContact CG1-CD1 3.98Å; V158-L296 HydrophobicContact CG2-CD1 4.33Å
159V98.9Very high98.6Very high0 Ų019.8 Ų19.80%012%0.119CC..Hα-helixtrans-53.2-51.6177169.50000111.3A130 V134 L146 V148 V155 G156 Q161 I162 A163 F216A130-V159 HydrophobicContact CB-CB 4.45Å; A130-V159 HydrophobicContact CB-CG2 3.53Å; V134-V159 HydrophobicContact CG2-CB 4.32Å; V134-V159 HydrophobicContact CG2-CG1 3.77Å; V134-V159 HydrophobicContact CG2-CG2 4.4Å; L146-V159 HydrophobicContact CD2-CG1 3.95Å; V148-V159 HydrophobicContact CG1-CB 4.44Å; V148-V159 HydrophobicContact CG1-CG1 4.29Å; V148-V159 HydrophobicContact CG2-CB 4.38Å; V148-V159 HydrophobicContact CG2-CG1 3.6Å; V155-V159 HydrophobicContact CG1-CG2 3.9Å; V155-V159 WeakPolarHBondContact O-CG2 3.42Å; V155-V159 PolarHBondContact O-N 2.9Å; G156-V159 PolarHBondContact O-N 3.1Å; V159-Q161 VanDerWaalsContact C-N 3.33Å; V159-Q161 PolarHBondContact O-N 2.85Å; V159-I162 PolarHBondContact O-N 2.94Å; V159-A163 WeakPolarHBondContact O-CB 3.36Å; V159-A163 PolarHBondContact O-N 3.49Å; V159-F216 HydrophobicContact CB-CD2 4.22Å; V159-F216 HydrophobicContact CB-CE2 4.44Å; V159-F216 HydrophobicContact CB-CG 4.39Å; V159-F216 HydrophobicContact CG1-CB 3.81Å; V159-F216 HydrophobicContact CG1-CD2 3.58Å; V159-F216 HydrophobicContact CG1-CE2 4.24Å; V159-F216 HydrophobicContact CG1-CG 3.73Å; V159-F216 HydrophobicContact CG2-CD1 3.95Å; V159-F216 HydrophobicContact CG2-CD2 3.49Å; V159-F216 VanDerWaalsContact CG2-CD2 3.49Å; V159-F216 HydrophobicContact CG2-CE1 3.8Å; V159-F216 HydrophobicContact CG2-CE2 3.3Å; V159-F216 HydrophobicContact CG2-CG 3.8Å; V159-F216 HydrophobicContact CG2-CZ 3.47Å; V159-F216 VanDerWaalsContact CG2-CZ 3.47Å
160G98.8Very high98.6Very high0 Ų019.8 Ų19.80%012%0.119CC..Hα-helixtrans-61.2-43.1-178.500000112.4G156 V158 A163 K164G156-G160 PolarHBondContact O-N 2.92Å; G156-G160 VanDerWaalsContact O-N 3.08Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 2.94Å; G160-A163 WeakPolarHBondContact O-CB 3.28Å; G160-A163 PolarHBondContact O-N 2.77Å; G160-K164 WeakPolarHBondContact O-CG 2.99Å; G160-K164 PolarHBondContact O-N 2.93Å
161Q98.9Very high98.7Very high7 Ų718 Ų183%0.03310%0.104CC..Hα-helixtrans-67.3-40.2179-69.817694.800112.3T157 V158 V159 A163 K164 I165 L186 L296 K297T157-Q161 WeakPolarHBondContact O-CG 3.49Å; T157-Q161 PolarHBondContact O-N 3.46Å; T157-Q161 PolarHBondContact O-NE2 3.34Å; V158-Q161 PolarHBondContact O-N 3.21Å; V159-Q161 VanDerWaalsContact C-N 3.33Å; V159-Q161 PolarHBondContact O-N 2.85Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-A163 PolarHBondContact O-N 2.87Å; Q161-K164 PolarHBondContact O-N 3.46Å; Q161-I165 VanDerWaalsContact O-CG1 3.29Å; Q161-I165 WeakPolarHBondContact O-CG1 3.22Å; Q161-I165 PolarHBondContact O-N 3.42Å; Q161-L186 HydrophobicContact CG-CB 4.31Å; Q161-L296 HydrophobicContact CB-CD1 3.99Å; Q161-K297 PolarHBondContact NE2-O 3.08Å
162I98.9Very high98.7Very high0 Ų018 Ų180%010%0.104CC..Hα-helixtrans-62-43.8173.5-65178.6000110.3A130 L131 V134 V158 V159 K164 I165 H166 L287 W290A130-I162 HydrophobicContact CB-CD1 4.27Å; L131-I162 HydrophobicContact CB-CD1 4.08Å; L131-I162 HydrophobicContact CD1-CD1 4.11Å; V134-I162 HydrophobicContact CB-CG2 3.96Å; V134-I162 HydrophobicContact CG1-CG2 3.76Å; V134-I162 HydrophobicContact CG2-CB 4.5Å; V134-I162 HydrophobicContact CG2-CG2 4.33Å; V158-I162 HydrophobicContact CG1-CD1 3.66Å; V158-I162 HydrophobicContact CG1-CG1 4.1Å; V158-I162 VanDerWaalsContact O-CG1 3.31Å; V158-I162 WeakPolarHBondContact O-CG1 3.07Å; V158-I162 PolarHBondContact O-N 3.06Å; V159-I162 PolarHBondContact O-N 2.94Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.81Å; I162-I165 WeakPolarHBondContact O-CB 3.35Å; I162-I165 PolarHBondContact O-N 2.97Å; I162-I165 VanDerWaalsContact O-N 3.14Å; I162-H166 PolarHBondContact O-CD2 2.91Å; I162-H166 PolarHBondContact O-N 2.94Å; I162-L287 HydrophobicContact CD1-CD2 3.99Å; I162-W290 HydrophobicContact CB-CZ3 4.49Å; I162-W290 HydrophobicContact CD1-CZ3 3.9Å; I162-W290 HydrophobicContact CG1-CE3 4.26Å; I162-W290 HydrophobicContact CG1-CH2 4.35Å; I162-W290 HydrophobicContact CG1-CZ3 3.65Å; I162-W290 HydrophobicContact CG2-CH2 4.13Å; I162-W290 HydrophobicContact CG2-CZ3 4.25Å
163A98.9Very high98.7Very high0 Ų017.9 Ų17.90%010%0.103CC..Hα-helixtrans-61.7-40175.600000112.2L146 V159 G160 Q161 H166 G167 C168 V170L146-A163 HydrophobicContact CB-CB 4.48Å; L146-A163 HydrophobicContact CD1-CB 3.88Å; L146-A163 HydrophobicContact CD2-CB 4.43Å; V159-A163 WeakPolarHBondContact O-CB 3.36Å; V159-A163 PolarHBondContact O-N 3.49Å; G160-A163 WeakPolarHBondContact O-CB 3.28Å; G160-A163 PolarHBondContact O-N 2.77Å; Q161-A163 VanDerWaalsContact C-N 3.34Å; Q161-A163 PolarHBondContact O-N 2.87Å; A163-H166 CarbonylContact O-C 3.32Å; A163-H166 PolarHBondContact O-N 3.14Å; A163-G167 PolarHBondContact O-N 3.39Å; A163-C168 HydrophobicContact CB-CB 4.1Å; A163-C168 WeakPolarHBondContact O-CB 3.45Å; A163-C168 PolarHBondContact O-N 3.2Å; A163-C168 PolarHBondContact O-SG 3.31Å; A163-V170 HydrophobicContact CB-CG2 3.58Å
164K98.8Very high98.7Very high69 Ų6917.1 Ų17.130%0.310%0.095SC..Hα-helixtrans-62.7-40.2172.2-67.1-52.9-66.7174.40112.2G160 Q161 I162 H166 G167 C168 V170 G187 D189G160-K164 WeakPolarHBondContact O-CG 2.99Å; G160-K164 PolarHBondContact O-N 2.93Å; Q161-K164 PolarHBondContact O-N 3.46Å; I162-K164 VanDerWaalsContact C-N 3.34Å; I162-K164 PolarHBondContact O-N 2.81Å; K164-H166 VanDerWaalsContact C-N 3.26Å; K164-H166 PolarHBondContact O-N 3.39Å; K164-G167 PolarHBondContact O-N 2.9Å; K164-C168 PolarHBondContact NZ-O 2.79Å; K164-V170 HydrophobicContact CD-CB 4.02Å; K164-V170 HydrophobicContact CD-CG2 3.49Å; K164-V170 VanDerWaalsContact CD-CG2 3.49Å; K164-V170 HydrophobicContact CG-CG2 3.93Å; K164-G187 WeakPolarHBondContact CD-O 3.31Å; K164-G187 VanDerWaalsContact CE-O 3.28Å; K164-G187 WeakPolarHBondContact CE-O 3.48Å; K164-D189 IonicContact NZ-OD1 3.66Å; K164-D189 PolarHBondContact NZ-OD1 3.1Å; K164-D189 IonicContact NZ-OD2 3.95Å; K164-D189 PolarHBondContact NZ-OD2 3.4Å
165I98.7Very high98.7Very high58 Ų5817 Ų1730%0.29710%0.095SC..Hα-helixtrans-60.8-36.8175.1-69.6163.1000111.1Q161 I162 G167 W290 K295Q161-I165 VanDerWaalsContact O-CG1 3.29Å; Q161-I165 WeakPolarHBondContact O-CG1 3.22Å; Q161-I165 PolarHBondContact O-N 3.42Å; I162-I165 WeakPolarHBondContact O-CB 3.35Å; I162-I165 PolarHBondContact O-N 2.97Å; I162-I165 VanDerWaalsContact O-N 3.14Å; I165-G167 PolarHBondContact O-N 3.12Å; I165-W290 HydrophobicContact CD1-CB 4.28Å; I165-W290 HydrophobicContact CD1-CD2 3.69Å; I165-W290 HydrophobicContact CD1-CE3 4.05Å; I165-W290 HydrophobicContact CD1-CG 3.83Å; I165-W290 HydrophobicContact CD1-CZ2 4.42Å; I165-W290 HydrophobicContact CG2-CZ2 3.87Å; I165-K295 HydrophobicContact CD1-CB 4.02Å; I165-K295 HydrophobicContact CG1-CB 4.3Å
166H98.4Very high98.7Very high65 Ų6517.5 Ų17.530%0.30110%0.1SC..THydrogen-bonded Turntrans-78.2-0.6174-75.3-69.5000114.3E135 K142 I162 A163 K164E135-H166 IonicContact OE1-CD2 3.55Å; E135-H166 IonicContact OE1-CE1 3.2Å; E135-H166 PolarHBondContact OE1-CE1 3.5Å; E135-H166 IonicContact OE1-NE2 2.64Å; E135-H166 PolarHBondContact OE1-NE2 2.98Å; K142-H166 VanDerWaalsContact CA-O 3.25Å; K142-H166 WeakPolarHBondContact CA-O 3.2Å; K142-H166 WeakPolarHBondContact CB-O 3.41Å; K142-H166 PolarHBondContact N-O 2.92Å; I162-H166 PolarHBondContact O-CD2 2.91Å; I162-H166 PolarHBondContact O-N 2.94Å; A163-H166 CarbonylContact O-C 3.32Å; A163-H166 PolarHBondContact O-N 3.14Å; K164-H166 VanDerWaalsContact C-N 3.26Å; K164-H166 PolarHBondContact O-N 3.39Å
167G98.6Very high98.7Very high35 Ų3522.5 Ų22.536%0.36113%0.126SC..THydrogen-bonded Turntrans77.325.6177.800000114.2G143 A163 K164 I165G143-G167 PolarHBondContact N-O 3.3Å; A163-G167 PolarHBondContact O-N 3.39Å; K164-G167 PolarHBondContact O-N 2.9Å; I165-G167 PolarHBondContact O-N 3.12Å
168C98.9Very high98.7Very high4 Ų425.3 Ų25.33%0.02715%0.15CC..  trans-78.1158171.5-54.30000111.5Q141 E144 A163 K164 V170Q141-C168 PolarHBondContact O-SG 2.64Å; E144-C168 CarbonylContact O-C 3.3Å; E144-C168 VanDerWaalsContact O-CA 3.26Å; E144-C168 WeakPolarHBondContact O-CA 3.34Å; E144-C168 VanDerWaalsContact O-CB 3.28Å; E144-C168 WeakPolarHBondContact O-CB 3.45Å; A163-C168 HydrophobicContact CB-CB 4.1Å; A163-C168 WeakPolarHBondContact O-CB 3.45Å; A163-C168 PolarHBondContact O-N 3.2Å; A163-C168 PolarHBondContact O-SG 3.31Å; K164-C168 PolarHBondContact NZ-O 2.79Å; C168-V170 HydrophobicContact CB-CG2 4.42Å
169K98.8Very high98.7Very high70 Ų7026.3 Ų26.330%0.30415%0.154SC..EExtended strand (participates in β ladder)trans-81.7133.4156.4-176.7-177.2173.6-171.50108E144 T145 L146 D189 A207E144-K169 PolarHBondContact O-N 3.16Å; T145-K169 CarbonylContact C-O 3.55Å; T145-K169 WeakPolarHBondContact CA-O 3.43Å; T145-K169 HydrophobicContact CG2-CB 4.38Å; T145-K169 HydrophobicContact CG2-CD 4.26Å; T145-K169 HydrophobicContact CG2-CG 4.38Å; L146-K169 PolarHBondContact N-O 3.37Å; K169-D189 WeakPolarHBondContact CA-OD2 3.3Å; K169-D189 HydrophobicContact CG-CB 3.79Å; K169-A207 PolarHBondContact NZ-O 2.9Å; K169-A207 VanDerWaalsContact NZ-O 3.12Å
170V98.9Very high98.7Very high0 Ų027.4 Ų27.40%016%0.161CC..EExtended strand (participates in β ladder)trans-121.1126.3-174.6-174.50000110.2L146 V148 A163 K164 C168 F188 D189 E190L146-V170 WeakPolarHBondContact O-CA 3.39Å; V148-V170 HydrophobicContact CG2-CG1 4.29Å; A163-V170 HydrophobicContact CB-CG2 3.58Å; K164-V170 HydrophobicContact CD-CB 4.02Å; K164-V170 HydrophobicContact CD-CG2 3.49Å; K164-V170 VanDerWaalsContact CD-CG2 3.49Å; K164-V170 HydrophobicContact CG-CG2 3.93Å; C168-V170 HydrophobicContact CB-CG2 4.42Å; V170-F188 HydrophobicContact CB-CD1 4.34Å; V170-F188 HydrophobicContact CG1-CD1 3.44Å; V170-F188 VanDerWaalsContact CG1-CD1 3.44Å; V170-F188 HydrophobicContact CG1-CD2 4.48Å; V170-F188 HydrophobicContact CG1-CE1 3.42Å; V170-F188 VanDerWaalsContact CG1-CE1 3.42Å; V170-F188 HydrophobicContact CG1-CE2 4.46Å; V170-F188 HydrophobicContact CG1-CG 4.01Å; V170-F188 HydrophobicContact CG1-CZ 3.98Å; V170-D189 PolarHBondContact N-OD2 2.79Å; V170-D189 PolarHBondContact O-N 3.44Å; V170-E190 PolarHBondContact O-N 2.92Å; V170-E190 VanDerWaalsContact O-N 3.11Å
171V98.9Very high98.7Very high0 Ų029.8 Ų29.80%018%0.181CC..EExtended strand (participates in β ladder)trans-113.7128.2175.1-178.80000109.1T145 L146 L147 V148 E190 F192 A207 A208 Y212T145-V171 HydrophobicContact CG2-CG2 4.12Å; L146-V171 PolarHBondContact O-N 3.46Å; L147-V171 CarbonylContact C-O 3.58Å; L147-V171 WeakPolarHBondContact CA-O 3.46Å; L147-V171 HydrophobicContact CD1-CB 4.18Å; L147-V171 HydrophobicContact CD1-CG1 3.94Å; V148-V171 PolarHBondContact N-O 3.29Å; V171-E190 CarbonylContact C-O 3.55Å; V171-E190 VanDerWaalsContact CA-O 3.32Å; V171-E190 WeakPolarHBondContact CA-O 3.2Å; V171-E190 HydrophobicContact CG1-CB 4.18Å; V171-E190 HydrophobicContact CG2-CB 4.14Å; V171-F192 HydrophobicContact CG1-CE1 4.21Å; V171-A207 HydrophobicContact CG1-CB 3.56Å; V171-A207 HydrophobicContact CG2-CB 4.4Å; V171-A208 HydrophobicContact CG2-CB 4.47Å; V171-Y212 HydrophobicContact CB-CE1 3.84Å; V171-Y212 HydrophobicContact CG1-CE1 4.16Å; V171-Y212 HydrophobicContact CG2-CE1 3.82Å
172G98.8Very high98.7Very high0 Ų029.9 Ų29.90%018%0.181CC..EExtended strand (participates in β ladder)trans-117.3141.3-177.100000113.1V148 E190 A191 F192V148-G172 CarbonylContact O-C 3.12Å; V148-G172 WeakPolarHBondContact O-CA 3.4Å; G172-E190 PolarHBondContact N-O 3.04Å; G172-A191 CarbonylContact O-C 3.47Å; G172-A191 WeakPolarHBondContact O-CA 3.39Å; G172-F192 PolarHBondContact O-N 2.79Å
173S98.8Very high98.7Very high1 Ų129.9 Ų29.91%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-117.4134.8167.5-169.90000111.6V148 A150 A151 F192 Y194 F223V148-S173 PolarHBondContact O-N 3.26Å; A150-S173 PolarHBondContact N-O 3.44Å; A151-S173 PolarHBondContact N-O 2.9Å; S173-F192 WeakPolarHBondContact OG-CE2 3.17Å; S173-Y194 WeakPolarHBondContact OG-CB 3.09Å; S173-F223 WeakPolarHBondContact OG-CE2 3.26Å
174A98.6Very high98.6Very high3 Ų334 Ų343%0.02520%0.199CC..EExtended strand (participates in β ladder)trans-141.8166.2179.100000112.1A152 K179 V180 L183 F192 N193 Y194A152-A174 HydrophobicContact CB-CB 4.02Å; A174-K179 HydrophobicContact CB-CB 3.54Å; A174-K179 HydrophobicContact CB-CD 4.34Å; A174-V180 HydrophobicContact CB-CG2 4.47Å; A174-L183 HydrophobicContact CB-CD1 3.95Å; A174-F192 PolarHBondContact N-O 3.49Å; A174-F192 VanDerWaalsContact N-O 3.11Å; A174-N193 CarbonylContact O-C 3.6Å; A174-N193 WeakPolarHBondContact O-CA 3.25Å; A174-N193 PolarHBondContact O-OD1 2.89Å; A174-Y194 VanDerWaalsContact C-CD1 3.45Å; A174-Y194 WeakPolarHBondContact O-CD1 3.46Å; A174-Y194 PolarHBondContact O-N 3.21Å
175G97.8Very high98.6Very high16 Ų1636.3 Ų36.317%0.16521%0.21CC..SBendtrans-97.516.2-171.700000116.4K195G175-K195 WeakPolarHBondContact O-CD 3.36Å
176S98.5Very high98.6Very high37 Ų3734.3 Ų34.326%0.25920%0.2SC..SBendtrans-163.2155.3176.665.90000110.5A178 K179 V180 N193S176-A178 VanDerWaalsContact C-N 3.32Å; S176-A178 PolarHBondContact O-N 3.16Å; S176-K179 WeakPolarHBondContact O-CB 3.34Å; S176-K179 PolarHBondContact O-N 2.91Å; S176-K179 VanDerWaalsContact O-N 3.12Å; S176-K179 WeakPolarHBondContact OG-CB 3.23Å; S176-K179 WeakPolarHBondContact OG-CD 3.26Å; S176-K179 WeakPolarHBondContact OG-CG 3.38Å; S176-K179 PolarHBondContact OG-N 3.26Å; S176-V180 PolarHBondContact O-N 3.32Å; S176-V180 VanDerWaalsContact O-N 3.08Å; S176-N193 WeakPolarHBondContact CA-ND2 3.35Å; S176-N193 PolarHBondContact N-OD1 3.39Å
177D98.4Very high98.6Very high105 Ų10532.9 Ų32.956%0.56120%0.204SC*.Hα-helixtrans-67.6-33.3-179.8-59.5-18.9000112.2K179 V180 A181 N193D177-K179 VanDerWaalsContact C-N 3.27Å; D177-K179 PolarHBondContact O-N 2.86Å; D177-V180 WeakPolarHBondContact O-CB 3.44Å; D177-V180 PolarHBondContact O-N 3.28Å; D177-V180 VanDerWaalsContact O-N 3.11Å; D177-A181 PolarHBondContact O-N 3.29Å; D177-N193 PolarHBondContact N-ND2 3.3Å; D177-N193 WeakPolarHBondContact OD1-CB 3.38Å; D177-N193 PolarHBondContact OD1-ND2 3.04Å
178A98.4Very high98.6Very high62 Ų6231.5 Ų31.551%0.51219%0.188SC..Hα-helixtrans-59.9-38.1172.400000112.2S176 Y182 I322S176-A178 VanDerWaalsContact C-N 3.32Å; S176-A178 PolarHBondContact O-N 3.16Å; A178-Y182 WeakPolarHBondContact O-CB 3.48Å; A178-Y182 PolarHBondContact O-N 3.17Å; A178-I322 HydrophobicContact CB-CD1 3.94Å
179K98.7Very high98.6Very high21 Ų2134.1 Ų34.19%0.09120%0.201CC..Hα-helixtrans-69.4-38.5173.8-73.8173.8178.7-167.40111.9A152 A174 S176 D177 Y182 L183 G319 N321 I322A152-K179 HydrophobicContact CB-CB 3.57Å; A152-K179 HydrophobicContact CB-CD 4.03Å; A152-K179 HydrophobicContact CB-CG 3.73Å; A174-K179 HydrophobicContact CB-CB 3.54Å; A174-K179 HydrophobicContact CB-CD 4.34Å; S176-K179 WeakPolarHBondContact O-CB 3.34Å; S176-K179 PolarHBondContact O-N 2.91Å; S176-K179 VanDerWaalsContact O-N 3.12Å; S176-K179 WeakPolarHBondContact OG-CB 3.23Å; S176-K179 WeakPolarHBondContact OG-CD 3.26Å; S176-K179 WeakPolarHBondContact OG-CG 3.38Å; S176-K179 PolarHBondContact OG-N 3.26Å; D177-K179 VanDerWaalsContact C-N 3.27Å; D177-K179 PolarHBondContact O-N 2.86Å; K179-Y182 PolarHBondContact O-N 3.5Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.29Å; K179-L183 PolarHBondContact O-N 3.26Å; K179-G319 WeakPolarHBondContact CE-O 3.43Å; K179-G319 PolarHBondContact NZ-O 3.05Å; K179-N321 WeakPolarHBondContact CE-O 3.29Å; K179-N321 PolarHBondContact NZ-O 2.89Å; K179-I322 HydrophobicContact CG-CD1 4.16Å; K179-I322 HydrophobicContact CG-CG1 3.8Å; K179-I322 HydrophobicContact CG-CG2 4.42Å
180V98.8Very high98.6Very high23 Ų2334.7 Ų34.714%0.13921%0.205CC..Hα-helixtrans-62.9-45.2175.51720000111A174 S176 D177 Y182 L183 K184 A191 N193A174-V180 HydrophobicContact CB-CG2 4.47Å; S176-V180 PolarHBondContact O-N 3.32Å; S176-V180 VanDerWaalsContact O-N 3.08Å; D177-V180 WeakPolarHBondContact O-CB 3.44Å; D177-V180 PolarHBondContact O-N 3.28Å; D177-V180 VanDerWaalsContact O-N 3.11Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 PolarHBondContact O-N 2.94Å; V180-L183 WeakPolarHBondContact O-CB 3.38Å; V180-L183 PolarHBondContact O-N 3.45Å; V180-K184 PolarHBondContact O-N 2.64Å; V180-K184 VanDerWaalsContact O-N 3.07Å; V180-A191 HydrophobicContact CG1-CB 3.86Å; V180-N193 HydrophobicContact CG2-CB 3.95Å
181A98.6Very high98.6Very high50 Ų5035.4 Ų35.441%0.41321%0.211SC..Hα-helixtrans-58-46.3174.900000111.2D177 L183 K184 E185D177-A181 PolarHBondContact O-N 3.29Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 3.06Å; A181-K184 WeakPolarHBondContact O-CB 3.22Å; A181-K184 PolarHBondContact O-N 3.02Å; A181-K184 VanDerWaalsContact O-N 3.13Å; A181-E185 PolarHBondContact O-N 3.06Å
182Y98.6Very high98.6Very high9 Ų936.4 Ų36.44%0.03522%0.215CC..Hα-helixtrans-60.4-39.1175.8178.2-125.1000113T157 A178 K179 V180 K184 E185 L186 R299 I322T157-Y182 HydrophobicContact CG2-CD1 4.47Å; T157-Y182 HydrophobicContact CG2-CE1 3.7Å; A178-Y182 WeakPolarHBondContact O-CB 3.48Å; A178-Y182 PolarHBondContact O-N 3.17Å; K179-Y182 PolarHBondContact O-N 3.5Å; V180-Y182 VanDerWaalsContact C-N 3.32Å; V180-Y182 PolarHBondContact O-N 2.94Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; Y182-K184 PolarHBondContact O-N 3.47Å; Y182-E185 WeakPolarHBondContact O-CB 3.44Å; Y182-E185 PolarHBondContact O-N 3.12Å; Y182-L186 HydrophobicContact CD1-CD1 4.42Å; Y182-L186 HydrophobicContact CD2-CG 4.45Å; Y182-L186 HydrophobicContact CE1-CD1 3.86Å; Y182-L186 HydrophobicContact CE2-CD1 4.18Å; Y182-L186 HydrophobicContact CE2-CD2 4Å; Y182-L186 HydrophobicContact CE2-CG 4.01Å; Y182-L186 WeakPolarHBondContact O-CG 3.45Å; Y182-L186 PolarHBondContact O-N 3.09Å; Y182-L186 VanDerWaalsContact O-N 3.13Å; Y182-R299 HydrophobicContact CE1-CB 4.3Å; Y182-R299 HydrophobicContact CE2-CB 4.03Å; Y182-R299 WeakPolarHBondContact OH-CB 3.37Å; Y182-R299 PolarHBondContact OH-N 3.1Å; Y182-I322 HydrophobicContact CD1-CG2 3.39Å; Y182-I322 HydrophobicContact CE1-CG2 3.96Å; Y182-I322 HydrophobicContact CG-CG2 3.86Å
183L98.8Very high98.6Very high0 Ų037 Ų370%022%0.218CC..Hα-helixtrans-62.1-40.8174.4-70.9174.8000112.6A151 A152 A174 K179 V180 A181 E185 L186 G187 F188 A191A151-L183 HydrophobicContact CB-CD1 3.66Å; A151-L183 HydrophobicContact CB-CD2 3.78Å; A151-L183 HydrophobicContact CB-CG 4.38Å; A151-L183 WeakPolarHBondContact O-CD2 3.02Å; A152-L183 HydrophobicContact CB-CD1 4.46Å; A152-L183 HydrophobicContact CB-CD2 4.27Å; A152-L183 HydrophobicContact CB-CG 4.21Å; A174-L183 HydrophobicContact CB-CD1 3.95Å; K179-L183 VanDerWaalsContact O-CG 3.31Å; K179-L183 WeakPolarHBondContact O-CG 3.29Å; K179-L183 PolarHBondContact O-N 3.26Å; V180-L183 WeakPolarHBondContact O-CB 3.38Å; V180-L183 PolarHBondContact O-N 3.45Å; A181-L183 VanDerWaalsContact C-N 3.33Å; A181-L183 PolarHBondContact O-N 3.06Å; L183-E185 VanDerWaalsContact C-N 3.35Å; L183-L186 PolarHBondContact O-N 3.5Å; L183-L186 VanDerWaalsContact O-N 3.17Å; L183-G187 PolarHBondContact O-N 3.13Å; L183-F188 HydrophobicContact CB-CB 4.27Å; L183-F188 HydrophobicContact CB-CD1 4.47Å; L183-F188 HydrophobicContact CB-CD2 4.22Å; L183-F188 HydrophobicContact CB-CG 4.08Å; L183-F188 HydrophobicContact CD2-CD1 4.29Å; L183-F188 HydrophobicContact CD2-CD2 3.99Å; L183-F188 HydrophobicContact CD2-CE1 4.01Å; L183-F188 HydrophobicContact CD2-CE2 3.68Å; L183-F188 HydrophobicContact CD2-CG 4.28Å; L183-F188 HydrophobicContact CD2-CZ 3.68Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 WeakPolarHBondContact O-CD2 3.47Å; L183-F188 PolarHBondContact O-N 2.92Å; L183-F188 VanDerWaalsContact O-N 3.15Å; L183-A191 HydrophobicContact CB-CB 3.91Å; L183-A191 HydrophobicContact CD1-CB 4.07Å
184K98.6Very high98.5Very high86 Ų8642.2 Ų42.237%0.37424%0.238SC..Hα-helixtrans-64.7-38.4175.3-66.6-70.9-173.3163.60111.4V180 A181 Y182 L186 G187 D189 E190 A191V180-K184 PolarHBondContact O-N 2.64Å; V180-K184 VanDerWaalsContact O-N 3.07Å; A181-K184 WeakPolarHBondContact O-CB 3.22Å; A181-K184 PolarHBondContact O-N 3.02Å; A181-K184 VanDerWaalsContact O-N 3.13Å; Y182-K184 VanDerWaalsContact C-N 3.34Å; Y182-K184 PolarHBondContact O-N 3.47Å; K184-L186 PolarHBondContact O-N 3.32Å; K184-G187 PolarHBondContact O-N 2.96Å; K184-D189 PolarHBondContact NZ-O 3.09Å; K184-E190 IonicContact NZ-OE2 3.2Å; K184-E190 PolarHBondContact NZ-OE2 2.93Å; K184-A191 HydrophobicContact CD-CB 4.43Å; K184-A191 HydrophobicContact CG-CB 4.41Å
185E98.2Very high98.4Very high117 Ų11748 Ų4855%0.54726%0.263SS..Hα-helixtrans-60.3-31.2172.3-68.2170.4-162.900113.1A181 Y182 L183 G187 R299A181-E185 PolarHBondContact O-N 3.06Å; Y182-E185 WeakPolarHBondContact O-CB 3.44Å; Y182-E185 PolarHBondContact O-N 3.12Å; L183-E185 VanDerWaalsContact C-N 3.35Å; E185-G187 VanDerWaalsContact C-N 3.26Å; E185-G187 PolarHBondContact O-N 2.94Å; E185-R299 IonicContact OE2-NH2 2.83Å
186L98.4Very high98.4Very high16 Ų1651.5 Ų51.58%0.08428%0.282CS..THydrogen-bonded Turntrans-81.3-0.9175.6-63.9-179.2000113.6T157 Q161 Y182 L183 K184 F188 K297T157-L186 HydrophobicContact CG2-CD1 3.72Å; Q161-L186 HydrophobicContact CG-CB 4.31Å; Y182-L186 HydrophobicContact CD1-CD1 4.42Å; Y182-L186 HydrophobicContact CD2-CG 4.45Å; Y182-L186 HydrophobicContact CE1-CD1 3.86Å; Y182-L186 HydrophobicContact CE2-CD1 4.18Å; Y182-L186 HydrophobicContact CE2-CD2 4Å; Y182-L186 HydrophobicContact CE2-CG 4.01Å; Y182-L186 WeakPolarHBondContact O-CG 3.45Å; Y182-L186 PolarHBondContact O-N 3.09Å; Y182-L186 VanDerWaalsContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.5Å; L183-L186 VanDerWaalsContact O-N 3.17Å; K184-L186 PolarHBondContact O-N 3.32Å; L186-F188 HydrophobicContact CB-CD2 4.23Å; L186-F188 HydrophobicContact CB-CE2 4.44Å; L186-K297 HydrophobicContact CD2-CB 3.89Å; L186-K297 HydrophobicContact CD2-CD 4.46Å
187G98.3Very high98.4Very high36 Ų3651.7 Ų51.737%0.37128%0.281SS..THydrogen-bonded Turntrans86.220.7176.900000114.9K164 L183 K184 E185 D189K164-G187 WeakPolarHBondContact CD-O 3.31Å; K164-G187 VanDerWaalsContact CE-O 3.28Å; K164-G187 WeakPolarHBondContact CE-O 3.48Å; L183-G187 PolarHBondContact O-N 3.13Å; K184-G187 PolarHBondContact O-N 2.96Å; E185-G187 VanDerWaalsContact C-N 3.26Å; E185-G187 PolarHBondContact O-N 2.94Å; G187-D189 PolarHBondContact O-N 3.37Å
188F98.8Very high98.2Very high6 Ų653 Ų533%0.02630%0.295CS..  trans-62.9131166.9-80-120.3000109.6V148 A151 V170 L183 L186V148-F188 HydrophobicContact CB-CE1 4.3Å; V148-F188 HydrophobicContact CG2-CE1 4.26Å; A151-F188 HydrophobicContact CB-CE1 3.83Å; A151-F188 HydrophobicContact CB-CZ 4.14Å; V170-F188 HydrophobicContact CB-CD1 4.34Å; V170-F188 HydrophobicContact CG1-CD1 3.44Å; V170-F188 VanDerWaalsContact CG1-CD1 3.44Å; V170-F188 HydrophobicContact CG1-CD2 4.48Å; V170-F188 HydrophobicContact CG1-CE1 3.42Å; V170-F188 VanDerWaalsContact CG1-CE1 3.42Å; V170-F188 HydrophobicContact CG1-CE2 4.46Å; V170-F188 HydrophobicContact CG1-CG 4.01Å; V170-F188 HydrophobicContact CG1-CZ 3.98Å; L183-F188 HydrophobicContact CB-CB 4.27Å; L183-F188 HydrophobicContact CB-CD1 4.47Å; L183-F188 HydrophobicContact CB-CD2 4.22Å; L183-F188 HydrophobicContact CB-CG 4.08Å; L183-F188 HydrophobicContact CD2-CD1 4.29Å; L183-F188 HydrophobicContact CD2-CD2 3.99Å; L183-F188 HydrophobicContact CD2-CE1 4.01Å; L183-F188 HydrophobicContact CD2-CE2 3.68Å; L183-F188 HydrophobicContact CD2-CG 4.28Å; L183-F188 HydrophobicContact CD2-CZ 3.68Å; L183-F188 WeakPolarHBondContact O-CB 3.44Å; L183-F188 WeakPolarHBondContact O-CD2 3.47Å; L183-F188 PolarHBondContact O-N 2.92Å; L183-F188 VanDerWaalsContact O-N 3.15Å; L186-F188 HydrophobicContact CB-CD2 4.23Å; L186-F188 HydrophobicContact CB-CE2 4.44Å
189D98.8Very high98.2Very high59 Ų5951.7 Ų51.732%0.31628%0.283SS..SBendtrans-68.9-44.1-179-54.8-88.1000110.2K164 K169 V170 K184 G187K164-D189 IonicContact NZ-OD1 3.66Å; K164-D189 PolarHBondContact NZ-OD1 3.1Å; K164-D189 IonicContact NZ-OD2 3.95Å; K164-D189 PolarHBondContact NZ-OD2 3.4Å; K169-D189 WeakPolarHBondContact CA-OD2 3.3Å; K169-D189 HydrophobicContact CG-CB 3.79Å; V170-D189 PolarHBondContact N-OD2 2.79Å; V170-D189 PolarHBondContact O-N 3.44Å; K184-D189 PolarHBondContact NZ-O 3.09Å; G187-D189 PolarHBondContact O-N 3.37Å
190E98.7Very high98.1Very high82 Ų8252.1 Ų52.138%0.38329%0.286SS..EExtended strand (participates in β ladder)trans-127146.4170.2-65.7-58.3167.400113.1V170 V171 G172 K184 A207V170-E190 PolarHBondContact O-N 2.92Å; V170-E190 VanDerWaalsContact O-N 3.11Å; V171-E190 CarbonylContact C-O 3.55Å; V171-E190 VanDerWaalsContact CA-O 3.32Å; V171-E190 WeakPolarHBondContact CA-O 3.2Å; V171-E190 HydrophobicContact CG1-CB 4.18Å; V171-E190 HydrophobicContact CG2-CB 4.14Å; G172-E190 PolarHBondContact N-O 3.04Å; K184-E190 IonicContact NZ-OE2 3.2Å; K184-E190 PolarHBondContact NZ-OE2 2.93Å; E190-A207 HydrophobicContact CB-CB 4.06Å; E190-A207 HydrophobicContact CG-CB 4.45Å
191A98.7Very high98Very high14 Ų1455.3 Ų55.312%0.11630%0.299CS..EExtended strand (participates in β ladder)trans-151.3140.517400000110.7G172 V180 L183 K184G172-A191 CarbonylContact O-C 3.47Å; G172-A191 WeakPolarHBondContact O-CA 3.39Å; V180-A191 HydrophobicContact CG1-CB 3.86Å; L183-A191 HydrophobicContact CB-CB 3.91Å; L183-A191 HydrophobicContact CD1-CB 4.07Å; K184-A191 HydrophobicContact CD-CB 4.43Å; K184-A191 HydrophobicContact CG-CB 4.41Å
192F98.8Very high98Very high22 Ų2259 Ų5910%0.09631%0.308CS..EExtended strand (participates in β ladder)trans-142.615417964.3-89.7000112.6V171 G172 S173 A174 V197 L200 A203 L204 A207 F223V171-F192 HydrophobicContact CG1-CE1 4.21Å; G172-F192 PolarHBondContact O-N 2.79Å; S173-F192 WeakPolarHBondContact OG-CE2 3.17Å; A174-F192 PolarHBondContact N-O 3.49Å; A174-F192 VanDerWaalsContact N-O 3.11Å; F192-V197 HydrophobicContact CB-CG1 4.46Å; F192-V197 HydrophobicContact CD2-CG1 4.16Å; F192-L200 HydrophobicContact CE2-CD1 3.7Å; F192-L200 HydrophobicContact CZ-CD1 4.1Å; F192-A203 HydrophobicContact CD2-CB 4.01Å; F192-A203 HydrophobicContact CE2-CB 4.02Å; F192-A203 HydrophobicContact CG-CB 4.39Å; F192-A203 HydrophobicContact CZ-CB 4.4Å; F192-L204 HydrophobicContact CE1-CD2 4.32Å; F192-L204 HydrophobicContact CZ-CD2 3.87Å; F192-L204 HydrophobicContact CZ-CG 4.23Å; F192-A207 HydrophobicContact CD1-CB 4.49Å; F192-F223 HydrophobicContact CZ-CE2 4.45Å; F192-F223 HydrophobicContact CZ-CZ 4.48Å
193N98.5Very high98Very high11 Ų1159.3 Ų59.36%0.05931%0.312CS..EExtended strand (participates in β ladder)trans-88.6107.1176.9179.7-4.1000109.5A174 S176 D177 V180 K195 T196 V197A174-N193 CarbonylContact O-C 3.6Å; A174-N193 WeakPolarHBondContact O-CA 3.25Å; A174-N193 PolarHBondContact O-OD1 2.89Å; S176-N193 WeakPolarHBondContact CA-ND2 3.35Å; S176-N193 PolarHBondContact N-OD1 3.39Å; D177-N193 PolarHBondContact N-ND2 3.3Å; D177-N193 WeakPolarHBondContact OD1-CB 3.38Å; D177-N193 PolarHBondContact OD1-ND2 3.04Å; V180-N193 HydrophobicContact CG2-CB 3.95Å; N193-K195 PolarHBondContact O-N 3.08Å; N193-K195 VanDerWaalsContact O-N 3.11Å; N193-K195 WeakPolarHBondContact OD1-CB 3.44Å; N193-K195 PolarHBondContact OD1-N 3.44Å; N193-T196 WeakPolarHBondContact CB-OG1 3.28Å; N193-T196 WeakPolarHBondContact ND2-CG2 3.49Å; N193-T196 PolarHBondContact ND2-OG1 2.88Å; N193-T196 PolarHBondContact O-N 3.44Å; N193-T196 PolarHBondContact O-OG1 2.81Å; N193-V197 PolarHBondContact O-N 3.28Å
194Y97.9Very high98Very high111 Ų11159.3 Ų59.344%0.43531%0.312SS..THydrogen-bonded Turntrans-65.3-17.9-175.573-91.5000113.4S173 A174S173-Y194 WeakPolarHBondContact OG-CB 3.09Å; A174-Y194 VanDerWaalsContact C-CD1 3.45Å; A174-Y194 WeakPolarHBondContact O-CD1 3.46Å; A174-Y194 PolarHBondContact O-N 3.21Å
195K96.8Very high97.9Very high125 Ų12561.2 Ų61.254%0.54332%0.32SS..THydrogen-bonded Turntrans-82.2-18.1-179.9-61.5-172.2-176.9175.20113.4G175 N193G175-K195 WeakPolarHBondContact O-CD 3.36Å; N193-K195 PolarHBondContact O-N 3.08Å; N193-K195 VanDerWaalsContact O-N 3.11Å; N193-K195 WeakPolarHBondContact OD1-CB 3.44Å; N193-K195 PolarHBondContact OD1-N 3.44Å
196T97.7Very high98Very high90 Ų9064.2 Ų64.255%0.55233%0.331SS*.THydrogen-bonded Turntrans-115.8-11.1-173.159.30000113.5N193N193-T196 WeakPolarHBondContact CB-OG1 3.28Å; N193-T196 WeakPolarHBondContact ND2-CG2 3.49Å; N193-T196 PolarHBondContact ND2-OG1 2.88Å; N193-T196 PolarHBondContact O-N 3.44Å; N193-T196 PolarHBondContact O-OG1 2.81Å
197V97.3Very high98Very high40 Ų4064 Ų6424%0.24233%0.331CS..  trans-70.4140.3172.4-65.60000110.6F192 N193 S199 A203F192-V197 HydrophobicContact CB-CG1 4.46Å; F192-V197 HydrophobicContact CD2-CG1 4.16Å; N193-V197 PolarHBondContact O-N 3.28Å; V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 2.99Å; V197-A203 HydrophobicContact CB-CB 4.02Å; V197-A203 HydrophobicContact CG1-CB 3.84Å; V197-A203 HydrophobicContact CG2-CB 4.01Å
198P95.6Very high98Very high132 Ų13262.4 Ų62.486%0.85732%0.315SS*.SBendtrans-69.8-30.8179.827.4-34.5000112.5
199S97.6Very high97.9Very high36 Ų3666.8 Ų66.825%0.25234%0.344SS..  trans-140.8124.1176.6170.80000109.8V197 E201 E202 A203V197-S199 VanDerWaalsContact C-N 3.31Å; V197-S199 PolarHBondContact O-N 2.99Å; S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact OG-N 2.94Å; S199-E202 PolarHBondContact OG-N 2.96Å; S199-A203 WeakPolarHBondContact O-CB 3.22Å; S199-A203 PolarHBondContact O-N 3.15Å
200L97Very high97.9Very high30 Ų3071.7 Ų71.716%0.15737%0.365CS..Hα-helixtrans-66.1-38.1176.2179.455.3000111.3F192 A203 L204 F223 F226F192-L200 HydrophobicContact CE2-CD1 3.7Å; F192-L200 HydrophobicContact CZ-CD1 4.1Å; L200-A203 PolarHBondContact O-N 3.17Å; L200-L204 HydrophobicContact CD1-CD1 4.21Å; L200-L204 HydrophobicContact CD1-CG 4.17Å; L200-L204 HydrophobicContact CG-CD1 4.08Å; L200-L204 WeakPolarHBondContact O-CB 3.28Å; L200-L204 VanDerWaalsContact O-CG 3.27Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.45Å; L200-F223 HydrophobicContact CD1-CD2 3.94Å; L200-F223 HydrophobicContact CD1-CE2 3.72Å; L200-F223 HydrophobicContact CD2-CB 4.15Å; L200-F223 HydrophobicContact CD2-CD2 3.59Å; L200-F223 HydrophobicContact CD2-CE2 4.22Å; L200-F223 HydrophobicContact CD2-CG 4.05Å; L200-F223 HydrophobicContact CG-CD2 4.38Å; L200-F226 HydrophobicContact CB-CD2 4.26Å; L200-F226 HydrophobicContact CD2-CD2 4Å; L200-F226 HydrophobicContact CG-CD2 4.27Å
201E96.6Very high97.8Very high90 Ų9068.1 Ų68.142%0.42135%0.35SS..Hα-helixtrans-62.4-46.6177.5-174.3178.8177.800111.6S199 A203 L204 K205 F226S199-E201 VanDerWaalsContact C-N 3.33Å; S199-E201 PolarHBondContact OG-N 2.94Å; E201-A203 PolarHBondContact O-N 3.49Å; E201-L204 PolarHBondContact O-N 3.14Å; E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 2.79Å; E201-F226 HydrophobicContact CB-CD1 4.15Å
202E98Very high97.9Very high128 Ų12867.4 Ų67.460%0.59835%0.345SS*.Hα-helixtrans-65.8-39.2177.9-67.2179.1170.400111.8S199 K205 K206S199-E202 PolarHBondContact OG-N 2.96Å; E202-K205 PolarHBondContact O-N 3.49Å; E202-K206 VanDerWaalsContact O-CB 3.25Å; E202-K206 WeakPolarHBondContact O-CB 3.46Å; E202-K206 PolarHBondContact O-N 2.74Å
203A98.4Very high97.9Very high14 Ų1467.6 Ų67.612%0.11635%0.346CS..Hα-helixtrans-62.1-44.5176.200000111.7F192 V197 S199 L200 E201 K206 A207F192-A203 HydrophobicContact CD2-CB 4.01Å; F192-A203 HydrophobicContact CE2-CB 4.02Å; F192-A203 HydrophobicContact CG-CB 4.39Å; F192-A203 HydrophobicContact CZ-CB 4.4Å; V197-A203 HydrophobicContact CB-CB 4.02Å; V197-A203 HydrophobicContact CG1-CB 3.84Å; V197-A203 HydrophobicContact CG2-CB 4.01Å; S199-A203 WeakPolarHBondContact O-CB 3.22Å; S199-A203 PolarHBondContact O-N 3.15Å; L200-A203 PolarHBondContact O-N 3.17Å; E201-A203 PolarHBondContact O-N 3.49Å; A203-K206 PolarHBondContact O-N 2.72Å; A203-A207 WeakPolarHBondContact O-CB 3.39Å; A203-A207 PolarHBondContact O-N 2.5Å
204L98.5Very high97.9Very high0 Ų067 Ų670%034%0.343CS..Hα-helixtrans-62.1-46.1175.6-73166.4000111.4L147 F192 L200 E201 A207 A208 Y212 F223 F226 A227 Q230L147-L204 HydrophobicContact CD1-CD2 3.96Å; L147-L204 HydrophobicContact CD2-CD2 3.68Å; F192-L204 HydrophobicContact CE1-CD2 4.32Å; F192-L204 HydrophobicContact CZ-CD2 3.87Å; F192-L204 HydrophobicContact CZ-CG 4.23Å; L200-L204 HydrophobicContact CD1-CD1 4.21Å; L200-L204 HydrophobicContact CD1-CG 4.17Å; L200-L204 HydrophobicContact CG-CD1 4.08Å; L200-L204 WeakPolarHBondContact O-CB 3.28Å; L200-L204 VanDerWaalsContact O-CG 3.27Å; L200-L204 WeakPolarHBondContact O-CG 3.33Å; L200-L204 PolarHBondContact O-N 3.45Å; E201-L204 PolarHBondContact O-N 3.14Å; L204-A207 PolarHBondContact O-N 3.25Å; L204-A208 PolarHBondContact O-N 3.46Å; L204-Y212 HydrophobicContact CB-CE2 4.36Å; L204-Y212 HydrophobicContact CD2-CE2 4.34Å; L204-Y212 PolarHBondContact O-OH 3.35Å; L204-F223 HydrophobicContact CD2-CE1 4.46Å; L204-F223 HydrophobicContact CD2-CZ 4.07Å; L204-F226 HydrophobicContact CD1-CB 3.92Å; L204-A227 HydrophobicContact CD1-CB 4.38Å; L204-Q230 HydrophobicContact CB-CG 3.98Å; L204-Q230 HydrophobicContact CD1-CG 4.48Å
205K98.4Very high97.9Very high127 Ų12761.9 Ų61.955%0.55232%0.323SS*.Hα-helixtrans-65.3-40.2178.2-174.3173.9-178.3176.50112.3E201 E202 A208 P209E201-K205 WeakPolarHBondContact O-CB 3.36Å; E201-K205 PolarHBondContact O-N 2.79Å; E202-K205 PolarHBondContact O-N 3.49Å; K205-A208 CarbonylContact O-C 3.54Å; K205-A208 PolarHBondContact O-N 2.82Å; K205-P209 WeakPolarHBondContact O-CA 3.4Å
206K98.3Very high98Very high180 Ų18055.9 Ų55.978%0.78330%0.297SS*.Hα-helixtrans-65.1-39.9178.7-176.2-179.8177.2-178.60112.1E202 A203 A208E202-K206 VanDerWaalsContact O-CB 3.25Å; E202-K206 WeakPolarHBondContact O-CB 3.46Å; E202-K206 PolarHBondContact O-N 2.74Å; A203-K206 PolarHBondContact O-N 2.72Å; K206-A208 VanDerWaalsContact C-N 3.34Å
207A98.4Very high98.1Very high10 Ų1052 Ų528%0.08327%0.273CS..Hα-helixtrans-69.8-30.8-178.600000113.1K169 V171 E190 F192 A203 L204K169-A207 PolarHBondContact NZ-O 2.9Å; K169-A207 VanDerWaalsContact NZ-O 3.12Å; V171-A207 HydrophobicContact CG1-CB 3.56Å; V171-A207 HydrophobicContact CG2-CB 4.4Å; E190-A207 HydrophobicContact CB-CB 4.06Å; E190-A207 HydrophobicContact CG-CB 4.45Å; F192-A207 HydrophobicContact CD1-CB 4.49Å; A203-A207 WeakPolarHBondContact O-CB 3.39Å; A203-A207 PolarHBondContact O-N 2.5Å; L204-A207 PolarHBondContact O-N 3.25Å
208A98.4Very high98.2Very high4 Ų450.9 Ų50.93%0.03327%0.266CS..  trans-142.988.4172.900000110.8T145 V171 L204 K205 K206 E210 G211 Y212T145-A208 HydrophobicContact CG2-CB 3.93Å; V171-A208 HydrophobicContact CG2-CB 4.47Å; L204-A208 PolarHBondContact O-N 3.46Å; K205-A208 CarbonylContact O-C 3.54Å; K205-A208 PolarHBondContact O-N 2.82Å; K206-A208 VanDerWaalsContact C-N 3.34Å; A208-E210 PolarHBondContact O-N 2.87Å; A208-E210 VanDerWaalsContact O-N 3.16Å; A208-G211 PolarHBondContact O-N 2.89Å; A208-Y212 HydrophobicContact CB-CD1 4.06Å; A208-Y212 HydrophobicContact CB-CE1 3.53Å; A208-Y212 HydrophobicContact CB-CE2 4.18Å
209P98Very high98.3Very high98 Ų9846 Ų4664%0.63623%0.233SC*.THydrogen-bonded Turntrans-60.3-27.3-176.5-27.836.5000114.6K205 G211K205-P209 WeakPolarHBondContact O-CA 3.4Å; P209-G211 VanDerWaalsContact C-N 3.33Å
210E97.6Very high98.1Very high162 Ų16244.8 Ų44.876%0.75723%0.226SC*.THydrogen-bonded Turntrans-86.7-2.6176.9-61.1179.4-176.100113.3A208 K232A208-E210 PolarHBondContact O-N 2.87Å; A208-E210 VanDerWaalsContact O-N 3.16Å; E210-K232 WeakPolarHBondContact O-CE 3.28Å; E210-K232 VanDerWaalsContact O-CG 3.3Å; E210-K232 WeakPolarHBondContact O-CG 3.49Å
211G98.4Very high97.9Very high6 Ų644.2 Ų44.26%0.06223%0.228CC..  trans85.4-172.3-176.800000114.6A208 P209 Q230 K232A208-G211 PolarHBondContact O-N 2.89Å; P209-G211 VanDerWaalsContact C-N 3.33Å; G211-Q230 CarbonylContact C-O 3.19Å; G211-Q230 WeakPolarHBondContact CA-O 3.28Å; G211-K232 WeakPolarHBondContact O-CE 3.37Å
212Y98.9Very high97.8Very high0 Ų046.3 Ų46.30%024%0.238CC..EExtended strand (participates in β ladder)trans-115.8130-170.7-58-82.3000112.4T145 L147 V171 L204 A208 Q230 M231 K232T145-Y212 HydrophobicContact CG2-CD1 3.83Å; T145-Y212 HydrophobicContact CG2-CE1 4.18Å; L147-Y212 HydrophobicContact CB-CD1 3.56Å; L147-Y212 HydrophobicContact CB-CE1 3.8Å; L147-Y212 HydrophobicContact CB-CG 4.03Å; L147-Y212 HydrophobicContact CD1-CE1 4.06Å; L147-Y212 HydrophobicContact CD2-CD2 4.43Å; L147-Y212 HydrophobicContact CD2-CE1 4.48Å; L147-Y212 HydrophobicContact CD2-CE2 4.37Å; L147-Y212 HydrophobicContact CG-CD1 4.48Å; L147-Y212 HydrophobicContact CG-CE1 4.33Å; V171-Y212 HydrophobicContact CB-CE1 3.84Å; V171-Y212 HydrophobicContact CG1-CE1 4.16Å; V171-Y212 HydrophobicContact CG2-CE1 3.82Å; L204-Y212 HydrophobicContact CB-CE2 4.36Å; L204-Y212 HydrophobicContact CD2-CE2 4.34Å; L204-Y212 PolarHBondContact O-OH 3.35Å; A208-Y212 HydrophobicContact CB-CD1 4.06Å; A208-Y212 HydrophobicContact CB-CE1 3.53Å; A208-Y212 HydrophobicContact CB-CE2 4.18Å; Y212-Q230 HydrophobicContact CD2-CB 3.71Å; Y212-Q230 WeakPolarHBondContact CD2-O 3.47Å; Y212-Q230 HydrophobicContact CE2-CB 3.77Å; Y212-Q230 PolarHBondContact N-O 3.2Å; Y212-M231 WeakPolarHBondContact O-CA 3.28Å; Y212-M231 WeakPolarHBondContact O-CE 3.13Å; Y212-K232 PolarHBondContact O-N 3.26Å
213D98.9Very high97.7Very high25 Ų2541 Ų4113%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-81.7-34.8175.3-62.5-75.5000111.2E144 T145 K232 G235 R236E144-D213 HydrophobicContact CB-CB 3.72Å; E144-D213 HydrophobicContact CG-CB 3.9Å; T145-D213 PolarHBondContact N-OD2 3.21Å; T145-D213 PolarHBondContact O-N 3.28Å; D213-K232 WeakPolarHBondContact OD1-CD 3.21Å; D213-K232 IonicContact OD1-NZ 2.7Å; D213-K232 PolarHBondContact OD1-NZ 3.12Å; D213-K232 IonicContact OD2-NZ 2.73Å; D213-K232 PolarHBondContact OD2-NZ 2.86Å; D213-G235 CarbonylContact O-C 3.55Å; D213-G235 VanDerWaalsContact O-CA 3.29Å; D213-G235 WeakPolarHBondContact O-CA 3.37Å; D213-R236 PolarHBondContact O-N 2.95Å; D213-R236 PolarHBondContact O-NE 3.5Å; D213-R236 PolarHBondContact O-NH2 2.9Å
214C98.9Very high97.5Very high0 Ų041.7 Ų41.70%022%0.216CC..EExtended strand (participates in β ladder)trans-132.6144.9-179-67.10000110.8L138 T145 L146 L147 R236L138-C214 HydrophobicContact CB-CB 4.49Å; L138-C214 HydrophobicContact CD1-CB 4.14Å; L138-C214 HydrophobicContact CD2-CB 4.05Å; L138-C214 HydrophobicContact CG-CB 4.45Å; T145-C214 PolarHBondContact O-N 2.91Å; T145-C214 VanDerWaalsContact O-N 3.11Å; L146-C214 CarbonylContact C-O 3.52Å; L146-C214 WeakPolarHBondContact CA-O 3.34Å; L146-C214 HydrophobicContact CB-CB 4Å; L146-C214 HydrophobicContact CD1-CB 3.83Å; L146-C214 HydrophobicContact CG-CB 3.71Å; L147-C214 PolarHBondContact N-O 3.2Å; C214-R236 CarbonylContact C-O 3.47Å; C214-R236 VanDerWaalsContact CA-O 3.31Å; C214-R236 WeakPolarHBondContact CA-O 3.47Å
215F98.9Very high97.4Very high2 Ų243.7 Ų43.71%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-138.1120.7171.3172.9-146.5000110.6L147 N149 E217 F223 A227 M231 R236 I237 A238L147-F215 HydrophobicContact CB-CB 4.32Å; L147-F215 HydrophobicContact CB-CD2 3.76Å; L147-F215 HydrophobicContact CB-CG 4.34Å; L147-F215 HydrophobicContact CD2-CD2 3.68Å; L147-F215 HydrophobicContact CD2-CE2 3.84Å; L147-F215 HydrophobicContact CD2-CG 4.17Å; L147-F215 HydrophobicContact CD2-CZ 4.42Å; L147-F215 HydrophobicContact CG-CD2 3.62Å; L147-F215 HydrophobicContact CG-CE2 3.9Å; L147-F215 HydrophobicContact CG-CG 4.46Å; L147-F215 WeakPolarHBondContact O-CA 3.22Å; L147-F215 WeakPolarHBondContact O-CD2 3.46Å; N149-F215 HydrophobicContact CB-CE2 4.23Å; N149-F215 WeakPolarHBondContact ND2-CZ 3.21Å; F215-E217 HydrophobicContact CD1-CB 4.42Å; F215-E217 HydrophobicContact CE1-CB 4Å; F215-E217 HydrophobicContact CE1-CG 4.35Å; F215-E217 WeakPolarHBondContact CE1-OE2 3.3Å; F215-E217 HydrophobicContact CE2-CB 4.4Å; F215-E217 HydrophobicContact CZ-CB 4.01Å; F215-E217 HydrophobicContact CZ-CG 4.37Å; F215-E217 WeakPolarHBondContact CZ-OE2 3.18Å; F215-F223 HydrophobicContact CE2-CE1 4.09Å; F215-F223 HydrophobicContact CZ-CD1 4.02Å; F215-F223 AromaticContact CZ-CE1 3.93Å; F215-F223 HydrophobicContact CZ-CE1 3.93Å; F215-A227 HydrophobicContact CD1-CB 4.04Å; F215-A227 HydrophobicContact CE1-CB 3.58Å; F215-A227 HydrophobicContact CZ-CB 3.87Å; F215-M231 HydrophobicContact CB-CE 4.19Å; F215-M231 HydrophobicContact CB-SD 3.71Å; F215-R236 PolarHBondContact N-O 3.3Å; F215-I237 HydrophobicContact CB-CG1 4.18Å; F215-I237 HydrophobicContact CB-CG2 4.42Å; F215-I237 HydrophobicContact CD1-CD1 4.06Å; F215-I237 HydrophobicContact CD1-CG1 4.17Å; F215-I237 HydrophobicContact CD1-CG2 3.75Å; F215-I237 HydrophobicContact CE1-CG2 4.4Å; F215-I237 HydrophobicContact CG-CG2 4.32Å; F215-I237 CarbonylContact O-C 3.49Å; F215-I237 VanDerWaalsContact O-CA 3.28Å; F215-I237 WeakPolarHBondContact O-CA 3.34Å; F215-A238 PolarHBondContact O-N 3.31Å
216F98.9Very high97.3Very high0 Ų040.3 Ų40.30%021%0.214CC..EExtended strand (participates in β ladder)trans-93.9108.9172.8-158.8-69.5000109.4V134 L138 L147 V148 N149 V155 V159 N218 A238 C240 F271V134-F216 HydrophobicContact CG2-CD2 4.35Å; V134-F216 HydrophobicContact CG2-CE2 4.49Å; L138-F216 HydrophobicContact CD1-CB 4.27Å; L138-F216 HydrophobicContact CD1-CD2 3.99Å; L147-F216 PolarHBondContact O-N 2.96Å; V148-F216 HydrophobicContact CG2-CB 4.48Å; N149-F216 PolarHBondContact OD1-O 3.14Å; V155-F216 HydrophobicContact CG1-CE1 3.59Å; V155-F216 HydrophobicContact CG1-CZ 3.65Å; V159-F216 HydrophobicContact CB-CD2 4.22Å; V159-F216 HydrophobicContact CB-CE2 4.44Å; V159-F216 HydrophobicContact CB-CG 4.39Å; V159-F216 HydrophobicContact CG1-CB 3.81Å; V159-F216 HydrophobicContact CG1-CD2 3.58Å; V159-F216 HydrophobicContact CG1-CE2 4.24Å; V159-F216 HydrophobicContact CG1-CG 3.73Å; V159-F216 HydrophobicContact CG2-CD1 3.95Å; V159-F216 HydrophobicContact CG2-CD2 3.49Å; V159-F216 VanDerWaalsContact CG2-CD2 3.49Å; V159-F216 HydrophobicContact CG2-CE1 3.8Å; V159-F216 HydrophobicContact CG2-CE2 3.3Å; V159-F216 HydrophobicContact CG2-CG 3.8Å; V159-F216 HydrophobicContact CG2-CZ 3.47Å; V159-F216 VanDerWaalsContact CG2-CZ 3.47Å; F216-N218 WeakPolarHBondContact CE1-OD1 3.39Å; F216-A238 HydrophobicContact CD2-CB 4.43Å; F216-C240 HydrophobicContact CD1-CB 4.16Å; F216-C240 HydrophobicContact CE1-CB 3.39Å; F216-C240 HydrophobicContact CZ-CB 3.98Å; F216-F271 HydrophobicContact CE2-CZ 4.24Å; F216-F271 HydrophobicContact CZ-CE1 4.3Å; F216-F271 AromaticContact CZ-CZ 3.84Å; F216-F271 HydrophobicContact CZ-CZ 3.84Å
217E98.8Very high97.2Very high7 Ų731.7 Ų31.73%0.03318%0.177CC..EExtended strand (participates in β ladder)trans-99.7112.6-169172.959.3-92.800111.5N149 F215 V219 G220 S224 I237 A238 V239 C240 G241N149-E217 PolarHBondContact ND2-OE1 2.89Å; N149-E217 PolarHBondContact OD1-OE1 3.45Å; F215-E217 HydrophobicContact CD1-CB 4.42Å; F215-E217 HydrophobicContact CE1-CB 4Å; F215-E217 HydrophobicContact CE1-CG 4.35Å; F215-E217 WeakPolarHBondContact CE1-OE2 3.3Å; F215-E217 HydrophobicContact CE2-CB 4.4Å; F215-E217 HydrophobicContact CZ-CB 4.01Å; F215-E217 HydrophobicContact CZ-CG 4.37Å; F215-E217 WeakPolarHBondContact CZ-OE2 3.18Å; E217-V219 WeakPolarHBondContact OE1-CA 3.38Å; E217-V219 PolarHBondContact OE1-N 3.15Å; E217-G220 PolarHBondContact OE1-N 2.86Å; E217-S224 VanDerWaalsContact OE2-CB 3.22Å; E217-S224 WeakPolarHBondContact OE2-CB 3.45Å; E217-S224 PolarHBondContact OE2-OG 2.81Å; E217-I237 HydrophobicContact CB-CG2 3.95Å; E217-A238 PolarHBondContact N-O 3.24Å; E217-V239 HydrophobicContact CG-CG1 4.36Å; E217-C240 WeakPolarHBondContact O-CA 3.47Å; E217-C240 WeakPolarHBondContact O-CB 3.39Å; E217-C240 PolarHBondContact O-N 3.04Å; E217-G241 PolarHBondContact O-N 3.23Å
218N98.6Very high97.2Very high18 Ų1831.9 Ų31.910%0.09618%0.176CC..SBendtrans-115.2-14.5178.9-65-60.6000113.7N149 A150 F216 C240 G241 G242 I243N149-N218 PolarHBondContact O-ND2 3.46Å; N149-N218 WeakPolarHBondContact OD1-CB 3.3Å; N149-N218 PolarHBondContact OD1-N 3.19Å; A150-N218 HydrophobicContact CB-CB 4Å; F216-N218 WeakPolarHBondContact CE1-OD1 3.39Å; N218-C240 WeakPolarHBondContact OD1-CB 3.46Å; N218-G241 VanDerWaalsContact C-C 3.48Å; N218-G241 CarbonylContact C-O 3.6Å; N218-G241 CarbonylContact O-C 3.57Å; N218-G241 VanDerWaalsContact O-C 3.3Å; N218-G242 PolarHBondContact O-N 3.19Å; N218-I243 PolarHBondContact O-N 3.48Å; N218-I243 VanDerWaalsContact O-N 3.14Å
219V97.8Very high97.1Very high28 Ų2835.4 Ų35.417%0.1719%0.192CC..SBendtrans-108.2-48-163.8-178.50000112.9N149 A150 E217 G242 I243 S244N149-V219 HydrophobicContact CB-CB 4.48Å; N149-V219 HydrophobicContact CB-CG2 3.83Å; N149-V219 WeakPolarHBondContact ND2-CB 3.36Å; N149-V219 PolarHBondContact OD1-N 2.99Å; A150-V219 HydrophobicContact CB-CG2 3.76Å; E217-V219 WeakPolarHBondContact OE1-CA 3.38Å; E217-V219 PolarHBondContact OE1-N 3.15Å; V219-G242 CarbonylContact O-C 3.53Å; V219-G242 WeakPolarHBondContact O-CA 3.16Å; V219-I243 HydrophobicContact CG2-CG2 4.42Å; V219-I243 PolarHBondContact O-N 3.41Å; V219-I243 VanDerWaalsContact O-N 3.08Å; V219-S244 WeakPolarHBondContact O-CB 3.31Å; V219-S244 PolarHBondContact O-N 3.39Å; V219-S244 PolarHBondContact O-OG 3.25Å
220G94.9Very high97.1Very high11 Ų1132 Ų3211%0.11317%0.167CC..  trans78.9-165.2-172.600000113.7E217 S224E217-G220 PolarHBondContact OE1-N 2.86Å; G220-S224 WeakPolarHBondContact CA-OG 3.38Å; G220-S224 PolarHBondContact N-OG 3.03Å; G220-S224 PolarHBondContact O-OG 2.86Å
221G93.2Very high97.2Very high18 Ų1824.4 Ų24.419%0.18613%0.132CC..Hα-helixtrans59.5-146.6172.800000114.4F223 S224 T225 Q252G221-F223 PolarHBondContact O-N 3.17Å; G221-S224 WeakPolarHBondContact O-CB 3.4Å; G221-S224 PolarHBondContact O-N 3.45Å; G221-S224 VanDerWaalsContact O-N 3.12Å; G221-T225 PolarHBondContact O-N 3.23Å; G221-Q252 VanDerWaalsContact CA-OE1 3.29Å
222Q92.8Very high97.2Very high135 Ų13526.4 Ų26.463%0.63114%0.139SC*.Hα-helixtrans-59.3-31.9-175.2-168.1-177.532.100113.1S224 T225 F226Q222-S224 PolarHBondContact O-N 2.78Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.05Å; Q222-F226 HydrophobicContact CG-CD2 3.87Å; Q222-F226 HydrophobicContact CG-CE2 3.43Å; Q222-F226 VanDerWaalsContact CG-CE2 3.43Å; Q222-F226 HydrophobicContact CG-CZ 4.29Å; Q222-F226 VanDerWaalsContact O-CD2 3.3Å; Q222-F226 WeakPolarHBondContact O-CD2 3.2Å; Q222-F226 PolarHBondContact O-N 3.07Å
223F96.1Very high97.2Very high15 Ų1532.6 Ų32.67%0.06617%0.168CC..Hα-helixtrans-60.5-48.4177.1-169.5-71.6000110.8L147 N149 S173 F192 L200 L204 F215 G221 T225 F226 A227L147-F223 HydrophobicContact CD2-CE1 4.11Å; N149-F223 HydrophobicContact CB-CD1 3.89Å; N149-F223 HydrophobicContact CB-CE1 3.5Å; N149-F223 VanDerWaalsContact CB-CE1 3.5Å; N149-F223 HydrophobicContact CB-CE2 4.17Å; N149-F223 HydrophobicContact CB-CG 4.41Å; N149-F223 HydrophobicContact CB-CZ 3.66Å; N149-F223 VanDerWaalsContact ND2-CD1 3.29Å; N149-F223 WeakPolarHBondContact ND2-CD1 3.47Å; S173-F223 WeakPolarHBondContact OG-CE2 3.26Å; F192-F223 HydrophobicContact CZ-CE2 4.45Å; F192-F223 HydrophobicContact CZ-CZ 4.48Å; L200-F223 HydrophobicContact CD1-CD2 3.94Å; L200-F223 HydrophobicContact CD1-CE2 3.72Å; L200-F223 HydrophobicContact CD2-CB 4.15Å; L200-F223 HydrophobicContact CD2-CD2 3.59Å; L200-F223 HydrophobicContact CD2-CE2 4.22Å; L200-F223 HydrophobicContact CD2-CG 4.05Å; L200-F223 HydrophobicContact CG-CD2 4.38Å; L204-F223 HydrophobicContact CD2-CE1 4.46Å; L204-F223 HydrophobicContact CD2-CZ 4.07Å; F215-F223 HydrophobicContact CE2-CE1 4.09Å; F215-F223 HydrophobicContact CZ-CD1 4.02Å; F215-F223 AromaticContact CZ-CE1 3.93Å; F215-F223 HydrophobicContact CZ-CE1 3.93Å; G221-F223 PolarHBondContact O-N 3.17Å; F223-T225 VanDerWaalsContact C-N 3.27Å; F223-T225 PolarHBondContact O-N 2.86Å; F223-F226 PolarHBondContact O-N 2.83Å; F223-A227 HydrophobicContact CD1-CB 4.18Å; F223-A227 HydrophobicContact CE1-CB 4.07Å; F223-A227 WeakPolarHBondContact O-CB 3.1Å; F223-A227 PolarHBondContact O-N 2.96Å
224S95.6Very high97.2Very high29 Ų2937.1 Ų37.120%0.20319%0.187CC..Hα-helixtrans-59.7-39.7178.4-49.50000112E217 G220 G221 Q222 F226 A227 L228E217-S224 VanDerWaalsContact OE2-CB 3.22Å; E217-S224 WeakPolarHBondContact OE2-CB 3.45Å; E217-S224 PolarHBondContact OE2-OG 2.81Å; G220-S224 WeakPolarHBondContact CA-OG 3.38Å; G220-S224 PolarHBondContact N-OG 3.03Å; G220-S224 PolarHBondContact O-OG 2.86Å; G221-S224 WeakPolarHBondContact O-CB 3.4Å; G221-S224 PolarHBondContact O-N 3.45Å; G221-S224 VanDerWaalsContact O-N 3.12Å; Q222-S224 PolarHBondContact O-N 2.78Å; S224-F226 PolarHBondContact O-N 3.2Å; S224-A227 PolarHBondContact O-N 3.08Å; S224-L228 VanDerWaalsContact O-CB 3.31Å; S224-L228 WeakPolarHBondContact O-CB 3.46Å; S224-L228 PolarHBondContact O-N 3.18Å
225T94.6Very high97.1Very high43 Ų4337.1 Ų37.126%0.26419%0.187SC..Hα-helixtrans-58.7-48.7178.2-59.70000111.6G221 Q222 F223 P255G221-T225 PolarHBondContact O-N 3.23Å; Q222-T225 WeakPolarHBondContact O-CB 3.4Å; Q222-T225 PolarHBondContact O-N 3.05Å; F223-T225 VanDerWaalsContact C-N 3.27Å; F223-T225 PolarHBondContact O-N 2.86Å; T225-P255 HydrophobicContact CG2-CG 3.39Å
226F96.4Very high97.1Very high55 Ų5539.3 Ų39.324%0.24120%0.195CC..Hα-helixtrans-72.4-40.6178.9-67.6-56.2000112.3L200 E201 L204 Q222 F223 S224 L228 Q229 Q230L200-F226 HydrophobicContact CB-CD2 4.26Å; L200-F226 HydrophobicContact CD2-CD2 4Å; L200-F226 HydrophobicContact CG-CD2 4.27Å; E201-F226 HydrophobicContact CB-CD1 4.15Å; L204-F226 HydrophobicContact CD1-CB 3.92Å; Q222-F226 HydrophobicContact CG-CD2 3.87Å; Q222-F226 HydrophobicContact CG-CE2 3.43Å; Q222-F226 VanDerWaalsContact CG-CE2 3.43Å; Q222-F226 HydrophobicContact CG-CZ 4.29Å; Q222-F226 VanDerWaalsContact O-CD2 3.3Å; Q222-F226 WeakPolarHBondContact O-CD2 3.2Å; Q222-F226 PolarHBondContact O-N 3.07Å; F223-F226 PolarHBondContact O-N 2.83Å; S224-F226 PolarHBondContact O-N 3.2Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 2.82Å; F226-Q229 PolarHBondContact O-N 2.85Å; F226-Q230 WeakPolarHBondContact O-CG 3.26Å; F226-Q230 PolarHBondContact O-N 2.71Å
227A97.6Very high97.1Very high0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-60-40.6177.500000112.3L147 L204 F215 F223 S224 Q229 Q230 M231L147-A227 HydrophobicContact CD2-CB 3.82Å; L204-A227 HydrophobicContact CD1-CB 4.38Å; F215-A227 HydrophobicContact CD1-CB 4.04Å; F215-A227 HydrophobicContact CE1-CB 3.58Å; F215-A227 HydrophobicContact CZ-CB 3.87Å; F223-A227 HydrophobicContact CD1-CB 4.18Å; F223-A227 HydrophobicContact CE1-CB 4.07Å; F223-A227 WeakPolarHBondContact O-CB 3.1Å; F223-A227 PolarHBondContact O-N 2.96Å; S224-A227 PolarHBondContact O-N 3.08Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 2.85Å; A227-Q230 PolarHBondContact O-N 3.27Å; A227-M231 PolarHBondContact O-N 3.19Å
228L97.8Very high97.1Very high13 Ų1339.5 Ų39.57%0.06820%0.196CC..Hα-helixtrans-57.9-39.3177.4179.964.5000112.2S224 F226 Q230 M231 I237 P257 T260 I261 V266 I268S224-L228 VanDerWaalsContact O-CB 3.31Å; S224-L228 WeakPolarHBondContact O-CB 3.46Å; S224-L228 PolarHBondContact O-N 3.18Å; F226-L228 VanDerWaalsContact C-N 3.32Å; F226-L228 PolarHBondContact O-N 2.82Å; L228-Q230 PolarHBondContact O-N 2.83Å; L228-M231 PolarHBondContact O-N 2.86Å; L228-I237 HydrophobicContact CD1-CD1 3.73Å; L228-P257 HydrophobicContact CD2-CB 3.35Å; L228-T260 HydrophobicContact CD1-CG2 4.46Å; L228-T260 HydrophobicContact CD2-CG2 4.5Å; L228-T260 HydrophobicContact CG-CG2 3.96Å; L228-I261 HydrophobicContact CD1-CG1 4.38Å; L228-I261 HydrophobicContact CD2-CG1 4.39Å; L228-V266 HydrophobicContact CD1-CG1 4.21Å; L228-I268 HydrophobicContact CD1-CD1 4.11Å
229Q96.9Very high97.2Very high78 Ų7841 Ų4136%0.36421%0.206SC..Hα-helixtrans-68-21.1177.5-58.4-51.6-35.800112.9F226 A227 T260 K264F226-Q229 PolarHBondContact O-N 2.85Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 2.85Å; Q229-T260 VanDerWaalsContact CD-OG1 3.29Å; Q229-T260 PolarHBondContact NE2-OG1 2.89Å; Q229-T260 PolarHBondContact OE1-OG1 3.37Å; Q229-K264 PolarHBondContact O-NZ 3.34Å
230Q97.9Very high97.2Very high26 Ų2641.4 Ų41.412%0.12121%0.21CC..THydrogen-bonded Turntrans-94.7-1-179.8-55.5-63.3-24.800113.2L204 G211 Y212 F226 A227 L228L204-Q230 HydrophobicContact CB-CG 3.98Å; L204-Q230 HydrophobicContact CD1-CG 4.48Å; G211-Q230 CarbonylContact C-O 3.19Å; G211-Q230 WeakPolarHBondContact CA-O 3.28Å; Y212-Q230 HydrophobicContact CD2-CB 3.71Å; Y212-Q230 WeakPolarHBondContact CD2-O 3.47Å; Y212-Q230 HydrophobicContact CE2-CB 3.77Å; Y212-Q230 PolarHBondContact N-O 3.2Å; F226-Q230 WeakPolarHBondContact O-CG 3.26Å; F226-Q230 PolarHBondContact O-N 2.71Å; A227-Q230 PolarHBondContact O-N 3.27Å; L228-Q230 PolarHBondContact O-N 2.83Å
231M98.7Very high97.2Very high3 Ų341.6 Ų41.62%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-65.1147.4174.3-64.1-58.3-63.300111.2Y212 F215 A227 L228 I237 K264 V266Y212-M231 WeakPolarHBondContact O-CA 3.28Å; Y212-M231 WeakPolarHBondContact O-CE 3.13Å; F215-M231 HydrophobicContact CB-CE 4.19Å; F215-M231 HydrophobicContact CB-SD 3.71Å; A227-M231 PolarHBondContact O-N 3.19Å; L228-M231 PolarHBondContact O-N 2.86Å; M231-I237 HydrophobicContact CE-CG1 4.1Å; M231-I237 HydrophobicContact CG-CD1 4.16Å; M231-I237 HydrophobicContact CG-CG1 4.47Å; M231-I237 HydrophobicContact SD-CD1 4.44Å; M231-I237 HydrophobicContact SD-CG1 4.28Å; M231-K264 VanDerWaalsContact O-CD 3.31Å; M231-K264 WeakPolarHBondContact O-CD 3.3Å; M231-K264 WeakPolarHBondContact O-CE 3.12Å; M231-K264 PolarHBondContact O-NZ 2.98Å; M231-V266 HydrophobicContact CB-CG2 3.99Å
232K98.8Very high97.4Very high49 Ų4941.4 Ų41.421%0.21321%0.209CC..EExtended strand (participates in β ladder)trans-75.8166.5167.1-73.6170.1175.8-178.30111E210 G211 Y212 D213 G235E210-K232 WeakPolarHBondContact O-CE 3.28Å; E210-K232 VanDerWaalsContact O-CG 3.3Å; E210-K232 WeakPolarHBondContact O-CG 3.49Å; G211-K232 WeakPolarHBondContact O-CE 3.37Å; Y212-K232 PolarHBondContact O-N 3.26Å; D213-K232 WeakPolarHBondContact OD1-CD 3.21Å; D213-K232 IonicContact OD1-NZ 2.7Å; D213-K232 PolarHBondContact OD1-NZ 3.12Å; D213-K232 IonicContact OD2-NZ 2.73Å; D213-K232 PolarHBondContact OD2-NZ 2.86Å; K232-G235 PolarHBondContact O-N 2.65Å; K232-G235 VanDerWaalsContact O-N 3.15Å
233E98.5Very high97.6Very high130 Ų13036.8 Ų36.861%0.60719%0.188SC*.EExtended strand (participates in β ladder)trans-56140.8166.5-65.6-177.9175.900110.1G235 K264E233-G235 PolarHBondContact O-N 2.72Å; E233-G235 VanDerWaalsContact O-N 3.14Å; E233-K264 CarbonylContact C-O 3.59Å; E233-K264 VanDerWaalsContact CA-O 3.31Å; E233-K264 WeakPolarHBondContact CA-O 3.45Å
234F98.6Very high97.5Very high119 Ų11938.5 Ų38.552%0.52220%0.202SC..EExtended strand (participates in β ladder)trans60.916-175.6-42.1-72.4000114.7K264 Q265F234-K264 PolarHBondContact N-O 2.81Å; F234-Q265 HydrophobicContact CD1-CB 3.94Å; F234-Q265 HydrophobicContact CE1-CB 4.09Å; F234-Q265 VanDerWaalsContact CE1-CD 3.5Å; F234-Q265 HydrophobicContact CE1-CG 4.37Å
235G98.8Very high97.4Very high0 Ų039.6 Ų39.60%021%0.208CC..EExtended strand (participates in β ladder)trans-58.3152.5177.600000112.8D213 K232 E233 V266 K267D213-G235 CarbonylContact O-C 3.55Å; D213-G235 VanDerWaalsContact O-CA 3.29Å; D213-G235 WeakPolarHBondContact O-CA 3.37Å; K232-G235 PolarHBondContact O-N 2.65Å; K232-G235 VanDerWaalsContact O-N 3.15Å; E233-G235 PolarHBondContact O-N 2.72Å; E233-G235 VanDerWaalsContact O-N 3.14Å; G235-V266 CarbonylContact O-C 3.6Å; G235-V266 WeakPolarHBondContact O-CA 3.3Å; G235-V266 WeakPolarHBondContact O-CG1 3.23Å; G235-K267 PolarHBondContact O-N 2.55Å
236R98.9Very high97.4Very high49 Ų4939.6 Ų39.619%0.18520%0.204CC..EExtended strand (participates in β ladder)trans-121.1134.5179.4-63.7127.9-59.9-174.8-5.1111.2L138 E144 D213 C214 F215 K267L138-R236 HydrophobicContact CD2-CB 3.97Å; L138-R236 WeakPolarHBondContact CD2-O 3.38Å; L138-R236 WeakPolarHBondContact O-CD 2.95Å; E144-R236 IonicContact OE1-CZ 2.7Å; E144-R236 IonicContact OE1-NH1 2.88Å; E144-R236 PolarHBondContact OE1-NH1 2.87Å; E144-R236 IonicContact OE1-NH2 2.64Å; E144-R236 PolarHBondContact OE1-NH2 2.88Å; E144-R236 IonicContact OE2-CZ 2.65Å; E144-R236 IonicContact OE2-NH1 3.99Å; E144-R236 IonicContact OE2-NH2 3.97Å; D213-R236 PolarHBondContact O-N 2.95Å; D213-R236 PolarHBondContact O-NE 3.5Å; D213-R236 PolarHBondContact O-NH2 2.9Å; C214-R236 CarbonylContact C-O 3.47Å; C214-R236 VanDerWaalsContact CA-O 3.31Å; C214-R236 WeakPolarHBondContact CA-O 3.47Å; F215-R236 PolarHBondContact N-O 3.3Å; R236-K267 CarbonylContact C-O 3.53Å; R236-K267 WeakPolarHBondContact CA-O 3.31Å; R236-K267 HydrophobicContact CG-CB 4.2Å
237I98.9Very high97.3Very high10 Ų1039.2 Ų39.25%0.05120%0.202CC..EExtended strand (participates in β ladder)trans-118.2119.2176.5-51.9-176.3000108.8F215 E217 L228 M231 V239 V266 K267 I268 E269F215-I237 HydrophobicContact CB-CG1 4.18Å; F215-I237 HydrophobicContact CB-CG2 4.42Å; F215-I237 HydrophobicContact CD1-CD1 4.06Å; F215-I237 HydrophobicContact CD1-CG1 4.17Å; F215-I237 HydrophobicContact CD1-CG2 3.75Å; F215-I237 HydrophobicContact CE1-CG2 4.4Å; F215-I237 HydrophobicContact CG-CG2 4.32Å; F215-I237 CarbonylContact O-C 3.49Å; F215-I237 VanDerWaalsContact O-CA 3.28Å; F215-I237 WeakPolarHBondContact O-CA 3.34Å; E217-I237 HydrophobicContact CB-CG2 3.95Å; L228-I237 HydrophobicContact CD1-CD1 3.73Å; M231-I237 HydrophobicContact CE-CG1 4.1Å; M231-I237 HydrophobicContact CG-CD1 4.16Å; M231-I237 HydrophobicContact CG-CG1 4.47Å; M231-I237 HydrophobicContact SD-CD1 4.44Å; M231-I237 HydrophobicContact SD-CG1 4.28Å; I237-V239 HydrophobicContact CG2-CG2 4.08Å; I237-V266 HydrophobicContact CD1-CG1 3.98Å; I237-V266 HydrophobicContact CG1-CG1 3.99Å; I237-K267 PolarHBondContact N-O 2.81Å; I237-I268 HydrophobicContact CB-CG1 4.28Å; I237-I268 HydrophobicContact CB-CG2 4.3Å; I237-I268 HydrophobicContact CD1-CD1 4.12Å; I237-I268 HydrophobicContact CD1-CG1 4.07Å; I237-I268 HydrophobicContact CG1-CG1 4.37Å; I237-I268 HydrophobicContact CG2-CG2 4.48Å; I237-E269 PolarHBondContact O-N 3.27Å
238A98.9Very high97Very high0 Ų042.1 Ų42.10%022%0.218CC..EExtended strand (participates in β ladder)trans-95.4108.1171.300000109.1V137 L138 F215 F216 E217 C240 F271V137-A238 HydrophobicContact CB-CB 4.01Å; V137-A238 HydrophobicContact CG1-CB 3.58Å; L138-A238 HydrophobicContact CD1-CB 4.22Å; L138-A238 HydrophobicContact CD2-CB 3.75Å; L138-A238 HydrophobicContact CG-CB 3.68Å; F215-A238 PolarHBondContact O-N 3.31Å; F216-A238 HydrophobicContact CD2-CB 4.43Å; E217-A238 PolarHBondContact N-O 3.24Å; A238-C240 PolarHBondContact O-N 3.26Å; A238-F271 HydrophobicContact CB-CD1 4.3Å; A238-F271 HydrophobicContact CB-CE1 3.96Å
239V98.7Very high96.5Very high49 Ų4947 Ų4730%0.29725%0.248SC..EExtended strand (participates in β ladder)trans-86.397.9-179.3-174.10000108.9E217 I237 I268 E269 G270 F271E217-V239 HydrophobicContact CG-CG1 4.36Å; I237-V239 HydrophobicContact CG2-CG2 4.08Å; V239-I268 HydrophobicContact CG2-CG2 3.6Å; V239-E269 PolarHBondContact N-O 3.4Å; V239-G270 WeakPolarHBondContact O-CA 3.27Å; V239-F271 PolarHBondContact O-N 3.24Å
240C98.4Very high96Very high38 Ų3846.7 Ų46.726%0.25726%0.259SS..  trans-88.8-36.8177.2179.80000111.9T129 F216 E217 N218 A238 F271T129-C240 WeakPolarHBondContact CG2-SG 3.31Å; F216-C240 HydrophobicContact CD1-CB 4.16Å; F216-C240 HydrophobicContact CE1-CB 3.39Å; F216-C240 HydrophobicContact CZ-CB 3.98Å; E217-C240 WeakPolarHBondContact O-CA 3.47Å; E217-C240 WeakPolarHBondContact O-CB 3.39Å; E217-C240 PolarHBondContact O-N 3.04Å; N218-C240 WeakPolarHBondContact OD1-CB 3.46Å; A238-C240 PolarHBondContact O-N 3.26Å; C240-F271 HydrophobicContact CB-CE1 3.86Å; C240-F271 HydrophobicContact CB-CZ 4.09Å
241G96.3Very high95.4Very high15 Ų1556.5 Ų56.516%0.15530%0.297CS..  trans-166173.1-173.800000113.6E217 N218E217-G241 PolarHBondContact O-N 3.23Å; N218-G241 VanDerWaalsContact C-C 3.48Å; N218-G241 CarbonylContact C-O 3.6Å; N218-G241 CarbonylContact O-C 3.57Å; N218-G241 VanDerWaalsContact O-C 3.3Å
242G96.2Very high94.7Very high13 Ų1361.2 Ų61.213%0.13432%0.319CS..  trans-141.248.7-17800000111N218 V219 S244 T245 Y246N218-G242 PolarHBondContact O-N 3.19Å; V219-G242 CarbonylContact O-C 3.53Å; V219-G242 WeakPolarHBondContact O-CA 3.16Å; G242-S244 PolarHBondContact O-N 3.14Å; G242-S244 VanDerWaalsContact O-N 3.07Å; G242-T245 PolarHBondContact O-N 3.41Å; G242-T245 PolarHBondContact O-OG1 2.77Å; G242-Y246 WeakPolarHBondContact O-CD1 3.43Å; G242-Y246 VanDerWaalsContact O-CE1 3.3Å; G242-Y246 WeakPolarHBondContact O-CE1 3.47Å
243I96.5Very high94Very high38 Ų3865.7 Ų65.720%0.19535%0.35CS..G310 helixtrans-57.5-29.2-168-166177.4000113.6P48 N218 V219 T245 Y246 L317P48-I243 HydrophobicContact CB-CD1 3.57Å; P48-I243 HydrophobicContact CB-CG1 3.98Å; P48-I243 HydrophobicContact CG-CD1 3.65Å; N218-I243 PolarHBondContact O-N 3.48Å; N218-I243 VanDerWaalsContact O-N 3.14Å; V219-I243 HydrophobicContact CG2-CG2 4.42Å; V219-I243 PolarHBondContact O-N 3.41Å; V219-I243 VanDerWaalsContact O-N 3.08Å; I243-T245 PolarHBondContact O-N 3Å; I243-Y246 HydrophobicContact CB-CD2 4.15Å; I243-Y246 HydrophobicContact CB-CE2 4.05Å; I243-Y246 HydrophobicContact CG1-CD2 3.82Å; I243-Y246 HydrophobicContact CG1-CE2 4.06Å; I243-Y246 PolarHBondContact O-N 3.01Å; I243-L317 HydrophobicContact CD1-CD2 4.32Å; I243-L317 HydrophobicContact CG1-CD2 4.49Å
244S94.9Very high93.3Very high51 Ų5161.9 Ų61.936%0.35735%0.346SS..G310 helixtrans-67.8-20.3179.272.40000113.4V219 G242V219-S244 WeakPolarHBondContact O-CB 3.31Å; V219-S244 PolarHBondContact O-N 3.39Å; V219-S244 PolarHBondContact O-OG 3.25Å; G242-S244 PolarHBondContact O-N 3.14Å; G242-S244 VanDerWaalsContact O-N 3.07Å
245T93.6Very high92.7Very high53 Ų5360.3 Ų60.333%0.32535%0.348SS..G310 helixtrans-98.4-6.2-178.867.70000112.7G242 I243 H247 D248G242-T245 PolarHBondContact O-N 3.41Å; G242-T245 PolarHBondContact O-OG1 2.77Å; I243-T245 PolarHBondContact O-N 3Å; T245-H247 PolarHBondContact O-N 3.16Å; T245-D248 VanDerWaalsContact CA-OD2 3.22Å; T245-D248 WeakPolarHBondContact CA-OD2 3.37Å; T245-D248 VanDerWaalsContact CB-OD2 3.3Å; T245-D248 WeakPolarHBondContact CB-OD2 3.3Å; T245-D248 WeakPolarHBondContact O-CB 3.46Å; T245-D248 PolarHBondContact O-N 3.5Å; T245-D248 VanDerWaalsContact O-N 3.08Å
246Y94.9Very high92.3Very high43 Ų4370.2 Ų70.217%0.16939%0.387CS..THydrogen-bonded Turntrans-63.9-26.4-175.4-69.7-6.9000113P48 R51 P52 G242 I243P48-Y246 HydrophobicContact CB-CD2 4.42Å; P48-Y246 HydrophobicContact CB-CE2 3.84Å; R51-Y246 HydrophobicContact CB-CD2 4.48Å; R51-Y246 PolarHBondContact NE-O 3.25Å; R51-Y246 PolarHBondContact NH1-O 2.97Å; R51-Y246 PolarHBondContact NH2-O 2.91Å; R51-Y246 VanDerWaalsContact NH2-O 3.12Å; P52-Y246 HydrophobicContact CB-CD1 4.44Å; P52-Y246 HydrophobicContact CG-CD1 4.04Å; P52-Y246 HydrophobicContact CG-CD2 4.14Å; P52-Y246 HydrophobicContact CG-CE1 3.94Å; P52-Y246 HydrophobicContact CG-CE2 4.05Å; P52-Y246 HydrophobicContact CG-CG 4.15Å; G242-Y246 WeakPolarHBondContact O-CD1 3.43Å; G242-Y246 VanDerWaalsContact O-CE1 3.3Å; G242-Y246 WeakPolarHBondContact O-CE1 3.47Å; I243-Y246 HydrophobicContact CB-CD2 4.15Å; I243-Y246 HydrophobicContact CB-CE2 4.05Å; I243-Y246 HydrophobicContact CG1-CD2 3.82Å; I243-Y246 HydrophobicContact CG1-CE2 4.06Å; I243-Y246 PolarHBondContact O-N 3.01Å
247H93.1Very high92.1Very high46 Ų4670.4 Ų70.421%0.21339%0.394CS..THydrogen-bonded Turntrans-95-0.7178.7-59.8-50.3000113.8G15 F16 T245 T249G15-H247 WeakPolarHBondContact CA-O 3.35Å; G15-H247 PolarHBondContact O-ND1 2.92Å; G15-H247 VanDerWaalsContact O-ND1 3.1Å; F16-H247 AromaticContact CD2-CD2 3.88Å; F16-H247 AromaticContact CD2-CE1 3.61Å; F16-H247 AromaticContact CD2-NE2 3.51Å; F16-H247 AromaticContact CE2-NE2 3.88Å; T245-H247 PolarHBondContact O-N 3.16Å; H247-T249 PolarHBondContact O-N 3.07Å
248D91.3Very high91.9Very high62 Ų6275.9 Ų75.933%0.33242%0.423SS..  trans-64.9131.2-177.2-69-18.6000110.6T245 A250 Q252T245-D248 VanDerWaalsContact CA-OD2 3.22Å; T245-D248 WeakPolarHBondContact CA-OD2 3.37Å; T245-D248 VanDerWaalsContact CB-OD2 3.3Å; T245-D248 WeakPolarHBondContact CB-OD2 3.3Å; T245-D248 WeakPolarHBondContact O-CB 3.46Å; T245-D248 PolarHBondContact O-N 3.5Å; T245-D248 VanDerWaalsContact O-N 3.08Å; D248-A250 WeakPolarHBondContact CB-O 3.22Å; D248-Q252 PolarHBondContact OD1-NE2 3.08Å; D248-Q252 VanDerWaalsContact OD2-CD 3.26Å; D248-Q252 WeakPolarHBondContact OD2-CG 3.3Å; D248-Q252 PolarHBondContact OD2-NE2 2.92Å
249T87.5Confident91.8Very high114 Ų11479.4 Ų79.470%0.69944%0.444SS*.SBendtrans-96.3-7.5172.253.60000112.1H247H247-T249 PolarHBondContact O-N 3.07Å
250A86.9Confident91.7Very high72 Ų7277.9 Ų77.960%0.59544%0.435SS*.SBendtrans-142.2154.1174.800000109.9D248 Q252D248-A250 WeakPolarHBondContact CB-O 3.22Å; A250-Q252 PolarHBondContact O-N 3.3Å
251Y85Confident91.6Very high233 Ų23378.2 Ų78.291%0.91443%0.434SS*.PPolyproline II helixtrans-63.6135.1177.6-62.4-70.1000111.6
252Q83.9Confident91.7Very high101 Ų10183 Ų8347%0.47246%0.456SS..PPolyproline II helixtrans-69.3142.2170.9-59.9-167-12.200110.5G221 D248 A250G221-Q252 VanDerWaalsContact CA-OE1 3.29Å; D248-Q252 PolarHBondContact OD1-NE2 3.08Å; D248-Q252 VanDerWaalsContact OD2-CD 3.26Å; D248-Q252 WeakPolarHBondContact OD2-CG 3.3Å; D248-Q252 PolarHBondContact OD2-NE2 2.92Å; A250-Q252 PolarHBondContact O-N 3.3Å
253T84.8Confident91.8Very high143 Ų14391.6 Ų91.688%0.87749%0.485SS*.PPolyproline II helixtrans-102.2146170.756.40000109.7
254G82.6Confident91.9Very high50 Ų5092.3 Ų92.352%0.51549%0.486SS..  trans-167.3171.1-17800000111.7
255P87.1Confident92.1Very high87 Ų8795.8 Ų95.857%0.56550%0.497SS*.  trans-64.2140.817728.8-34.6000110.3T225T225-P255 HydrophobicContact CG2-CG 3.39Å
256Y90.3Very high92.3Very high208 Ų20893.7 Ų93.782%0.81648%0.484SS*.  trans-67.4126.5175.3-67.2-71.4000110.2L258Y256-L258 VanDerWaalsContact C-N 3.25Å; Y256-L258 PolarHBondContact O-N 3.49Å
257P93.6Very high92.5Very high53 Ų5396.2 Ų96.234%0.34450%0.496SS..THydrogen-bonded Turntrans-79.2-5.6-171.532.1-37000113.9L228 T259 T260 I261L228-P257 HydrophobicContact CD2-CB 3.35Å; P257-T259 VanDerWaalsContact C-N 3.35Å; P257-T259 PolarHBondContact O-N 2.86Å; P257-T260 PolarHBondContact O-N 3.39Å; P257-I261 HydrophobicContact CB-CD1 3.79Å; P257-I261 HydrophobicContact CB-CG1 4.35Å; P257-I261 HydrophobicContact CG-CD1 3.97Å; P257-I261 WeakPolarHBondContact O-CG1 3.06Å; P257-I261 PolarHBondContact O-N 3.35Å
258L96.1Very high92.7Very high124 Ų12497.7 Ų97.765%0.64951%0.505SS*.Hα-helixtrans-57.8-41.3-167-65.8175.8000113.5Y256 I261 N262Y256-L258 VanDerWaalsContact C-N 3.25Å; Y256-L258 PolarHBondContact O-N 3.49Å; L258-I261 PolarHBondContact O-N 2.64Å; L258-N262 VanDerWaalsContact O-CB 3.23Å; L258-N262 WeakPolarHBondContact O-CB 3.41Å; L258-N262 PolarHBondContact O-N 3.14Å
259T95.5Very high93.1Very high74 Ų7497.1 Ų97.145%0.45450%0.5SS..Hα-helixtrans-65.1-45.2-179.2-52.90000111.4P257 N262 W263P257-T259 VanDerWaalsContact C-N 3.35Å; P257-T259 PolarHBondContact O-N 2.86Å; T259-N262 PolarHBondContact O-N 3.45Å; T259-W263 HydrophobicContact CG2-CD2 3.67Å; T259-W263 HydrophobicContact CG2-CE3 3.73Å; T259-W263 HydrophobicContact CG2-CG 4.42Å; T259-W263 HydrophobicContact CG2-CH2 3.7Å; T259-W263 HydrophobicContact CG2-CZ2 3.63Å; T259-W263 HydrophobicContact CG2-CZ3 3.75Å; T259-W263 WeakPolarHBondContact O-CB 3.45Å; T259-W263 PolarHBondContact O-N 2.75Å
260T96.2Very high93.6Very high17 Ų1793.5 Ų93.510%0.10449%0.485CS..Hα-helixtrans-65.5-43.1177.7-52.30000111.3L228 Q229 P257 N262 K264L228-T260 HydrophobicContact CD1-CG2 4.46Å; L228-T260 HydrophobicContact CD2-CG2 4.5Å; L228-T260 HydrophobicContact CG-CG2 3.96Å; Q229-T260 VanDerWaalsContact CD-OG1 3.29Å; Q229-T260 PolarHBondContact NE2-OG1 2.89Å; Q229-T260 PolarHBondContact OE1-OG1 3.37Å; P257-T260 PolarHBondContact O-N 3.39Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.09Å; T260-K264 HydrophobicContact CG2-CD 4Å; T260-K264 WeakPolarHBondContact O-CB 3.15Å; T260-K264 PolarHBondContact O-N 2.81Å
261I98.1Very high94.2Very high46 Ų4690.6 Ų90.624%0.23646%0.459CS..Hα-helixtrans-59.9-46.2176.6-67.7167000110.6L228 P257 L258 Q265 V266 I268L228-I261 HydrophobicContact CD1-CG1 4.38Å; L228-I261 HydrophobicContact CD2-CG1 4.39Å; P257-I261 HydrophobicContact CB-CD1 3.79Å; P257-I261 HydrophobicContact CB-CG1 4.35Å; P257-I261 HydrophobicContact CG-CD1 3.97Å; P257-I261 WeakPolarHBondContact O-CG1 3.06Å; P257-I261 PolarHBondContact O-N 3.35Å; L258-I261 PolarHBondContact O-N 2.64Å; I261-Q265 CarbonylContact O-C 3.57Å; I261-Q265 WeakPolarHBondContact O-CA 3.48Å; I261-Q265 PolarHBondContact O-N 2.84Å; I261-V266 PolarHBondContact O-N 2.82Å; I261-V266 VanDerWaalsContact O-N 3.09Å; I261-I268 HydrophobicContact CD1-CD1 3.61Å; I261-I268 HydrophobicContact CG1-CD1 3.82Å
262N98.3Very high94.7Very high114 Ų11484.9 Ų84.961%0.6144%0.442SS*.Hα-helixtrans-64.1-58.8-179.6-178.8-9.7000111.2L258 T259 T260 K264 Q265L258-N262 VanDerWaalsContact O-CB 3.23Å; L258-N262 WeakPolarHBondContact O-CB 3.41Å; L258-N262 PolarHBondContact O-N 3.14Å; T259-N262 PolarHBondContact O-N 3.45Å; T260-N262 VanDerWaalsContact C-N 3.34Å; T260-N262 PolarHBondContact O-N 3.09Å; N262-K264 VanDerWaalsContact C-N 3.34Å; N262-K264 PolarHBondContact O-N 2.92Å; N262-Q265 WeakPolarHBondContact O-CG 3.46Å; N262-Q265 PolarHBondContact O-N 2.77Å; N262-Q265 VanDerWaalsContact O-N 3.08Å
263W97.6Very high95.4Very high194 Ų19481.7 Ų81.774%0.73543%0.428SS*.Hα-helixtrans-64.8-36.8-173.3-68.2-11.1000113.2T259T259-W263 HydrophobicContact CG2-CD2 3.67Å; T259-W263 HydrophobicContact CG2-CE3 3.73Å; T259-W263 HydrophobicContact CG2-CG 4.42Å; T259-W263 HydrophobicContact CG2-CH2 3.7Å; T259-W263 HydrophobicContact CG2-CZ2 3.63Å; T259-W263 HydrophobicContact CG2-CZ3 3.75Å; T259-W263 WeakPolarHBondContact O-CB 3.45Å; T259-W263 PolarHBondContact O-N 2.75Å
264K98.3Very high95.9Very high54 Ų5477.8 Ų77.824%0.23541%0.406CS..Hα-helixtrans-89.7-3.5176.8-62.3-173.1173.1-169.30113.3Q229 M231 E233 F234 T260 N262 V266Q229-K264 PolarHBondContact O-NZ 3.34Å; M231-K264 VanDerWaalsContact O-CD 3.31Å; M231-K264 WeakPolarHBondContact O-CD 3.3Å; M231-K264 WeakPolarHBondContact O-CE 3.12Å; M231-K264 PolarHBondContact O-NZ 2.98Å; E233-K264 CarbonylContact C-O 3.59Å; E233-K264 VanDerWaalsContact CA-O 3.31Å; E233-K264 WeakPolarHBondContact CA-O 3.45Å; F234-K264 PolarHBondContact N-O 2.81Å; T260-K264 HydrophobicContact CG2-CD 4Å; T260-K264 WeakPolarHBondContact O-CB 3.15Å; T260-K264 PolarHBondContact O-N 2.81Å; N262-K264 VanDerWaalsContact C-N 3.34Å; N262-K264 PolarHBondContact O-N 2.92Å; K264-V266 HydrophobicContact CB-CG2 3.69Å; K264-V266 PolarHBondContact O-N 2.88Å
265Q98.5Very high96.5Very high123 Ų12381.9 Ų81.958%0.57541%0.406SS*.THydrogen-bonded Turntrans51.341.1-177.6-56.9177.461.600112.6F234 I261 N262F234-Q265 HydrophobicContact CD1-CB 3.94Å; F234-Q265 HydrophobicContact CE1-CB 4.09Å; F234-Q265 VanDerWaalsContact CE1-CD 3.5Å; F234-Q265 HydrophobicContact CE1-CG 4.37Å; I261-Q265 CarbonylContact O-C 3.57Å; I261-Q265 WeakPolarHBondContact O-CA 3.48Å; I261-Q265 PolarHBondContact O-N 2.84Å; N262-Q265 WeakPolarHBondContact O-CG 3.46Å; N262-Q265 PolarHBondContact O-N 2.77Å; N262-Q265 VanDerWaalsContact O-N 3.08Å
266V98.6Very high97Very high10 Ų1080.1 Ų80.16%0.06139%0.388CS..  trans-74.8132.2-176.11710000109.8L228 M231 G235 I237 I261 K264 I268L228-V266 HydrophobicContact CD1-CG1 4.21Å; M231-V266 HydrophobicContact CB-CG2 3.99Å; G235-V266 CarbonylContact O-C 3.6Å; G235-V266 WeakPolarHBondContact O-CA 3.3Å; G235-V266 WeakPolarHBondContact O-CG1 3.23Å; I237-V266 HydrophobicContact CD1-CG1 3.98Å; I237-V266 HydrophobicContact CG1-CG1 3.99Å; I261-V266 PolarHBondContact O-N 2.82Å; I261-V266 VanDerWaalsContact O-N 3.09Å; K264-V266 HydrophobicContact CB-CG2 3.69Å; K264-V266 PolarHBondContact O-N 2.88Å; V266-I268 HydrophobicContact CG1-CG1 3.91Å
267K98.7Very high97.3Very high95 Ų9576.9 Ų76.941%0.41338%0.38SS..EExtended strand (participates in β ladder)trans-88.2123.6169.8-175.5-178175.6-164.40109.8G235 R236 I237 E269G235-K267 PolarHBondContact O-N 2.55Å; R236-K267 CarbonylContact C-O 3.53Å; R236-K267 WeakPolarHBondContact CA-O 3.31Å; R236-K267 HydrophobicContact CG-CB 4.2Å; I237-K267 PolarHBondContact N-O 2.81Å; K267-E269 WeakPolarHBondContact CE-OE2 3.38Å; K267-E269 IonicContact NZ-OE2 2.65Å; K267-E269 PolarHBondContact NZ-OE2 3.11Å
268I98.6Very high97.4Very high78 Ų7879.1 Ų79.140%0.440%0.397SS..EExtended strand (participates in β ladder)trans-116118.4173-51.3-173.1000108.3L228 I237 V239 I261 V266L228-I268 HydrophobicContact CD1-CD1 4.11Å; I237-I268 HydrophobicContact CB-CG1 4.28Å; I237-I268 HydrophobicContact CB-CG2 4.3Å; I237-I268 HydrophobicContact CD1-CD1 4.12Å; I237-I268 HydrophobicContact CD1-CG1 4.07Å; I237-I268 HydrophobicContact CG1-CG1 4.37Å; I237-I268 HydrophobicContact CG2-CG2 4.48Å; V239-I268 HydrophobicContact CG2-CG2 3.6Å; I261-I268 HydrophobicContact CD1-CD1 3.61Å; I261-I268 HydrophobicContact CG1-CD1 3.82Å; V266-I268 HydrophobicContact CG1-CG1 3.91Å
269E98.6Very high97.5Very high49 Ų4976.3 Ų76.323%0.22938%0.383CS..EExtended strand (participates in β ladder)trans-131.9118-176.5-177177.4155.700111.2V137 I237 V239 K267 R275V137-E269 HydrophobicContact CG1-CB 3.88Å; V137-E269 HydrophobicContact CG1-CG 4.08Å; I237-E269 PolarHBondContact O-N 3.27Å; V239-E269 PolarHBondContact N-O 3.4Å; K267-E269 WeakPolarHBondContact CE-OE2 3.38Å; K267-E269 IonicContact NZ-OE2 2.65Å; K267-E269 PolarHBondContact NZ-OE2 3.11Å; E269-R275 IonicContact OE1-NH1 2.77Å; E269-R275 PolarHBondContact OE1-NH1 3.27Å
270G98.5Very high97.5Very high38 Ų3874.3 Ų74.339%0.39237%0.368SS..EExtended strand (participates in β ladder)trans-76.3145.4165.300000111.3V239 R275V239-G270 WeakPolarHBondContact O-CA 3.27Å; G270-R275 VanDerWaalsContact O-CZ 3.28Å; G270-R275 PolarHBondContact O-NH1 3.09Å; G270-R275 VanDerWaalsContact O-NH1 3.08Å; G270-R275 PolarHBondContact O-NH2 3.28Å
271F98.5Very high97.4Very high11 Ų1177.4 Ų77.45%0.04839%0.388CS..  trans-144.6157.1179.977.4-78.5000113.8T129 V137 F216 A238 V239 C240 W276T129-F271 HydrophobicContact CG2-CE2 3.92Å; T129-F271 HydrophobicContact CG2-CZ 3.92Å; T129-F271 WeakPolarHBondContact O-CE2 3.47Å; T129-F271 WeakPolarHBondContact O-CZ 3.2Å; V137-F271 HydrophobicContact CG2-CB 3.88Å; V137-F271 HydrophobicContact CG2-CD1 3.99Å; V137-F271 HydrophobicContact CG2-CD2 4.27Å; V137-F271 HydrophobicContact CG2-CG 3.79Å; F216-F271 HydrophobicContact CE2-CZ 4.24Å; F216-F271 HydrophobicContact CZ-CE1 4.3Å; F216-F271 AromaticContact CZ-CZ 3.84Å; F216-F271 HydrophobicContact CZ-CZ 3.84Å; A238-F271 HydrophobicContact CB-CD1 4.3Å; A238-F271 HydrophobicContact CB-CE1 3.96Å; V239-F271 PolarHBondContact O-N 3.24Å; C240-F271 HydrophobicContact CB-CE1 3.86Å; C240-F271 HydrophobicContact CB-CZ 4.09Å; F271-W276 HydrophobicContact CB-CH2 4.37Å; F271-W276 HydrophobicContact CB-CZ3 4.35Å; F271-W276 AromaticContact CD2-CZ3 3.95Å; F271-W276 HydrophobicContact CD2-CZ3 3.95Å
272M97.4Very high97.4Very high113 Ų11382.1 Ų82.156%0.55741%0.409SS*.  trans-124.3133.3167.3-67.8-66.3-77.500107.3S274 R275M272-S274 PolarHBondContact O-N 2.99Å; M272-S274 VanDerWaalsContact O-N 3.07Å; M272-R275 WeakPolarHBondContact O-CB 3.26Å; M272-R275 WeakPolarHBondContact O-CG 3.37Å; M272-R275 PolarHBondContact O-N 3.18Å
273Q96.7Very high97.4Very high35 Ų3576.9 Ų76.916%0.16438%0.383CS..G310 helixtrans-59.1-22.4-179.567.181.729.100113.3M125 Y132 R275 W276 H280M125-Q273 HydrophobicContact CG-CG 3.98Å; M125-Q273 HydrophobicContact SD-CG 4.41Å; Y132-Q273 HydrophobicContact CD2-CB 4.25Å; Q273-R275 PolarHBondContact O-N 3.07Å; Q273-W276 PolarHBondContact O-N 3.17Å; Q273-H280 PolarHBondContact O-NE2 3.18Å; Q273-H280 PolarHBondContact OE1-CE1 3.08Å; Q273-H280 PolarHBondContact OE1-NE2 2.94Å
274S95.4Very high97.4Very high60 Ų6069.2 Ų69.242%0.4236%0.356SS..G310 helixtrans-64.6-17175.652.90000114.2M272 W276 Q277M272-S274 PolarHBondContact O-N 2.99Å; M272-S274 VanDerWaalsContact O-N 3.07Å; S274-W276 PolarHBondContact O-N 2.65Å; S274-W276 VanDerWaalsContact O-N 3.15Å; S274-Q277 WeakPolarHBondContact O-CB 3.45Å; S274-Q277 PolarHBondContact O-N 3.18Å
275R96.8Very high97.3Very high136 Ų13672.9 Ų72.951%0.51337%0.372SS..G310 helixtrans-57.7-25.6171.2-68178.5-172.4172.23112.8E269 G270 M272 Q273E269-R275 IonicContact OE1-NH1 2.77Å; E269-R275 PolarHBondContact OE1-NH1 3.27Å; G270-R275 VanDerWaalsContact O-CZ 3.28Å; G270-R275 PolarHBondContact O-NH1 3.09Å; G270-R275 VanDerWaalsContact O-NH1 3.08Å; G270-R275 PolarHBondContact O-NH2 3.28Å; M272-R275 WeakPolarHBondContact O-CB 3.26Å; M272-R275 WeakPolarHBondContact O-CG 3.37Å; M272-R275 PolarHBondContact O-N 3.18Å; Q273-R275 PolarHBondContact O-N 3.07Å
276W97.8Very high97.3Very high51 Ų5170.6 Ų70.619%0.19336%0.36CS..G310 helixtrans-111.730.5-178.6-62.3-84000112.4Y132 A136 V137 F271 Q273 S274 S278 D279 H280Y132-W276 HydrophobicContact CD1-CB 3.94Å; Y132-W276 AromaticContact CD1-CD2 3.96Å; Y132-W276 HydrophobicContact CD1-CD2 3.96Å; Y132-W276 HydrophobicContact CD1-CE3 4.29Å; Y132-W276 AromaticContact CD1-CG 3.8Å; Y132-W276 HydrophobicContact CD1-CG 3.8Å; Y132-W276 HydrophobicContact CD2-CB 3.98Å; Y132-W276 HydrophobicContact CD2-CD2 4.28Å; Y132-W276 AromaticContact CD2-CE3 3.9Å; Y132-W276 HydrophobicContact CD2-CE3 3.9Å; Y132-W276 HydrophobicContact CD2-CG 4.34Å; Y132-W276 HydrophobicContact CE1-CB 3.64Å; Y132-W276 AromaticContact CE1-CG 3.94Å; Y132-W276 HydrophobicContact CE1-CG 3.94Å; Y132-W276 HydrophobicContact CE2-CB 3.69Å; Y132-W276 HydrophobicContact CE2-CG 4.47Å; Y132-W276 HydrophobicContact CG-CB 4.11Å; Y132-W276 AromaticContact CG-CD2 3.82Å; Y132-W276 HydrophobicContact CG-CD2 3.82Å; Y132-W276 AromaticContact CG-CE3 3.66Å; Y132-W276 HydrophobicContact CG-CE3 3.66Å; Y132-W276 HydrophobicContact CG-CG 4.03Å; Y132-W276 HydrophobicContact CG-CZ3 4.38Å; A136-W276 HydrophobicContact CB-CH2 4.21Å; A136-W276 HydrophobicContact CB-CZ2 3.51Å; V137-W276 HydrophobicContact CG2-CH2 3.8Å; F271-W276 HydrophobicContact CB-CH2 4.37Å; F271-W276 HydrophobicContact CB-CZ3 4.35Å; F271-W276 AromaticContact CD2-CZ3 3.95Å; F271-W276 HydrophobicContact CD2-CZ3 3.95Å; Q273-W276 PolarHBondContact O-N 3.17Å; S274-W276 PolarHBondContact O-N 2.65Å; S274-W276 VanDerWaalsContact O-N 3.15Å; W276-S278 PolarHBondContact O-N 3.36Å; W276-D279 HydrophobicContact CB-CB 4.37Å; W276-D279 WeakPolarHBondContact O-CA 3.43Å; W276-D279 PolarHBondContact O-N 3.31Å; W276-H280 PolarHBondContact O-CD2 3.18Å; W276-H280 PolarHBondContact O-N 3.29Å; W276-H280 PolarHBondContact O-NE2 2.97Å
277Q95.3Very high97.3Very high140 Ų14070.1 Ų70.165%0.65436%0.357SS*.G310 helixtrans-54.7-37.2-177.1-172.5176.93.900113.6S274 D279 H280S274-Q277 WeakPolarHBondContact O-CB 3.45Å; S274-Q277 PolarHBondContact O-N 3.18Å; Q277-D279 PolarHBondContact O-N 3.46Å; Q277-H280 WeakPolarHBondContact CA-NE2 3.4Å; Q277-H280 PolarHBondContact O-N 3.12Å
278S96.2Very high97.3Very high100 Ų10066 Ų6670%0.69934%0.339SS*.G310 helixtrans-59.4-28.9174.6550000113.3W276W276-S278 PolarHBondContact O-N 3.36Å
279D97.1Very high97.3Very high65 Ų6563.4 Ų63.435%0.34833%0.332SS..G310 helixtrans-97.9-5.9-172.3-51.2-24.9000111.9Y132 W276 Q277 P281 Q282 G283Y132-D279 HydrophobicContact CE1-CB 4.38Å; Y132-D279 PolarHBondContact OH-O 2.87Å; W276-D279 HydrophobicContact CB-CB 4.37Å; W276-D279 WeakPolarHBondContact O-CA 3.43Å; W276-D279 PolarHBondContact O-N 3.31Å; Q277-D279 PolarHBondContact O-N 3.46Å; D279-P281 VanDerWaalsContact C-CD 3.47Å; D279-Q282 PolarHBondContact O-N 3.1Å; D279-G283 PolarHBondContact O-N 2.82Å
280H96.1Very high97.3Very high32 Ų3262.4 Ų62.415%0.14833%0.326CS..Hα-helixtrans-52.7-45.1-178.8-70.6-178.2000112.9L128 Y132 Q273 W276 Q277 Q282 G283 L284L128-H280 HydrophobicContact CD1-CB 4.01Å; Y132-H280 AromaticContact CE2-CD2 3.65Å; Y132-H280 AromaticContact CE2-NE2 3.97Å; Y132-H280 WeakPolarHBondContact OH-CA 3.24Å; Y132-H280 PolarHBondContact OH-CD2 2.97Å; Y132-H280 PolarHBondContact OH-N 2.83Å; Q273-H280 PolarHBondContact O-NE2 3.18Å; Q273-H280 PolarHBondContact OE1-CE1 3.08Å; Q273-H280 PolarHBondContact OE1-NE2 2.94Å; W276-H280 PolarHBondContact O-CD2 3.18Å; W276-H280 PolarHBondContact O-N 3.29Å; W276-H280 PolarHBondContact O-NE2 2.97Å; Q277-H280 WeakPolarHBondContact CA-NE2 3.4Å; Q277-H280 PolarHBondContact O-N 3.12Å; H280-Q282 VanDerWaalsContact C-N 3.26Å; H280-Q282 PolarHBondContact O-N 3.37Å; H280-G283 PolarHBondContact O-N 2.99Å; H280-G283 VanDerWaalsContact O-N 3.16Å; H280-L284 WeakPolarHBondContact O-CB 3.07Å; H280-L284 VanDerWaalsContact O-CG 3.3Å; H280-L284 WeakPolarHBondContact O-CG 3.11Å; H280-L284 PolarHBondContact O-N 3.09Å
281P95.5Very high97.2Very high81 Ų8163.4 Ų63.453%0.52632%0.318SS..Hα-helixtrans-59.2-37.2178.6-24.935.9000113.1D279 K285D279-P281 VanDerWaalsContact C-CD 3.47Å; P281-K285 WeakPolarHBondContact O-CG 3.5Å; P281-K285 PolarHBondContact O-N 3.07Å
282Q96.9Very high97.2Very high145 Ų14569.6 Ų69.668%0.67835%0.346SS*.Hα-helixtrans-73.2-42176.6-172.1-178.618.600111.3D279 H280 L284 K285 K286D279-Q282 PolarHBondContact O-N 3.1Å; H280-Q282 VanDerWaalsContact C-N 3.26Å; H280-Q282 PolarHBondContact O-N 3.37Å; Q282-L284 PolarHBondContact O-N 3.46Å; Q282-K285 PolarHBondContact O-N 2.91Å; Q282-K286 WeakPolarHBondContact O-CB 3.36Å; Q282-K286 PolarHBondContact O-N 2.99Å
283G98.1Very high97.2Very high5 Ų569.7 Ų69.75%0.05235%0.345CS..Hα-helixtrans-59.8-45.4176.800000112.4L131 D279 H280 K286 L287L131-G283 VanDerWaalsContact CD2-CA 3.46Å; D279-G283 PolarHBondContact O-N 2.82Å; H280-G283 PolarHBondContact O-N 2.99Å; H280-G283 VanDerWaalsContact O-N 3.16Å; G283-K286 WeakPolarHBondContact O-CB 3.33Å; G283-K286 PolarHBondContact O-N 3.02Å; G283-L287 VanDerWaalsContact O-CG 3.31Å; G283-L287 WeakPolarHBondContact O-CG 3.39Å; G283-L287 PolarHBondContact O-N 3.03Å
284L97.9Very high97.2Very high33 Ų3370.2 Ų70.217%0.17336%0.359CS..Hα-helixtrans-63.6-42.9176.7-67.6176.9000112.1M107 I123 L128 H280 Q282 K286 L287 M288M107-L284 HydrophobicContact SD-CB 4.27Å; I123-L284 HydrophobicContact CG2-CD2 4.29Å; I123-L284 WeakPolarHBondContact O-CD2 3.26Å; L128-L284 HydrophobicContact CD1-CD2 3.86Å; L128-L284 HydrophobicContact CD1-CG 4.09Å; L128-L284 HydrophobicContact CD2-CD2 4.13Å; L128-L284 HydrophobicContact CD2-CG 4.17Å; L128-L284 HydrophobicContact CG-CD2 3.84Å; L128-L284 HydrophobicContact CG-CG 4.3Å; H280-L284 WeakPolarHBondContact O-CB 3.07Å; H280-L284 VanDerWaalsContact O-CG 3.3Å; H280-L284 WeakPolarHBondContact O-CG 3.11Å; H280-L284 PolarHBondContact O-N 3.09Å; Q282-L284 PolarHBondContact O-N 3.46Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 3.29Å; L284-L287 PolarHBondContact O-N 3.15Å; L284-M288 VanDerWaalsContact O-CB 3.29Å; L284-M288 WeakPolarHBondContact O-CB 3.28Å; L284-M288 PolarHBondContact O-N 3.03Å
285K97.4Very high97.3Very high130 Ų13072.7 Ų72.757%0.56536%0.362SS*.Hα-helixtrans-58.5-42.2173.4-79.8176179.9-175.90112M107 P281 Q282 M288 G289M107-K285 HydrophobicContact CE-CG 3.53Å; M107-K285 HydrophobicContact SD-CG 4.45Å; P281-K285 WeakPolarHBondContact O-CG 3.5Å; P281-K285 PolarHBondContact O-N 3.07Å; Q282-K285 PolarHBondContact O-N 2.91Å; K285-M288 PolarHBondContact O-N 2.93Å; K285-G289 PolarHBondContact O-N 3.48Å
286K98.2Very high97.4Very high75 Ų7566.3 Ų66.333%0.32634%0.338SS..Hα-helixtrans-64.7-47.9178.5-173.1172.4177.1-179.30111.8L131 E135 Q282 G283 L284 M288 G289 W290L131-K286 HydrophobicContact CD1-CD 4.24Å; E135-K286 WeakPolarHBondContact OE1-CE 3.29Å; E135-K286 IonicContact OE1-NZ 3.47Å; E135-K286 PolarHBondContact OE1-NZ 2.86Å; E135-K286 IonicContact OE2-NZ 2.94Å; E135-K286 PolarHBondContact OE2-NZ 2.9Å; Q282-K286 WeakPolarHBondContact O-CB 3.36Å; Q282-K286 PolarHBondContact O-N 2.99Å; G283-K286 WeakPolarHBondContact O-CB 3.33Å; G283-K286 PolarHBondContact O-N 3.02Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 3.29Å; K286-M288 PolarHBondContact O-N 3.31Å; K286-G289 PolarHBondContact O-N 2.92Å; K286-W290 HydrophobicContact CD-CH2 4.08Å; K286-W290 HydrophobicContact CD-CZ2 4.19Å; K286-W290 HydrophobicContact CG-CD2 4.38Å; K286-W290 HydrophobicContact CG-CE3 4.38Å; K286-W290 HydrophobicContact CG-CH2 4.04Å; K286-W290 HydrophobicContact CG-CZ2 3.98Å; K286-W290 HydrophobicContact CG-CZ3 4.19Å; K286-W290 PolarHBondContact O-N 3.25Å
287L98.6Very high97.4Very high0 Ų069.4 Ų69.40%035%0.353CS..Hα-helixtrans-60.1-44.8175.7-68.4165.1000111.6I123 G127 L128 V158 I162 G283 L284 G289 W290 Y291 L296I123-L287 HydrophobicContact CD1-CB 3.76Å; G127-L287 VanDerWaalsContact C-CD1 3.49Å; L128-L287 HydrophobicContact CD2-CD1 4.32Å; L128-L287 HydrophobicContact CG-CD1 4.46Å; V158-L287 HydrophobicContact CG1-CD2 4.16Å; I162-L287 HydrophobicContact CD1-CD2 3.99Å; G283-L287 VanDerWaalsContact O-CG 3.31Å; G283-L287 WeakPolarHBondContact O-CG 3.39Å; G283-L287 PolarHBondContact O-N 3.03Å; L284-L287 PolarHBondContact O-N 3.15Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.08Å; L287-W290 HydrophobicContact CD2-CE3 4.22Å; L287-W290 HydrophobicContact CD2-CZ3 4.27Å; L287-W290 PolarHBondContact O-N 2.66Å; L287-Y291 PolarHBondContact O-N 2.76Å; L287-L296 HydrophobicContact CB-CD2 4.45Å; L287-L296 HydrophobicContact CD2-CD2 4.13Å
288M98.1Very high97.4Very high9 Ų964.2 Ų64.24%0.04433%0.332CS..Hα-helixtrans-62.9-40.1176.6178.261.675.100111.3W110 P111 V114 I123 L284 K285 K286 Y291 K292W110-M288 HydrophobicContact CD2-CE 3.82Å; W110-M288 HydrophobicContact CE3-CE 3.64Å; W110-M288 HydrophobicContact CH2-CE 3.84Å; W110-M288 HydrophobicContact CZ2-CE 3.98Å; W110-M288 HydrophobicContact CZ3-CE 3.66Å; P111-M288 HydrophobicContact CG-SD 4.01Å; V114-M288 HydrophobicContact CG1-CE 4.06Å; V114-M288 HydrophobicContact CG1-SD 4.35Å; V114-M288 HydrophobicContact CG2-SD 4.4Å; I123-M288 HydrophobicContact CG1-CE 4.35Å; I123-M288 HydrophobicContact CG2-CB 4.18Å; I123-M288 HydrophobicContact CG2-CE 4.02Å; L284-M288 VanDerWaalsContact O-CB 3.29Å; L284-M288 WeakPolarHBondContact O-CB 3.28Å; L284-M288 PolarHBondContact O-N 3.03Å; K285-M288 PolarHBondContact O-N 2.93Å; K286-M288 PolarHBondContact O-N 3.31Å; M288-Y291 PolarHBondContact O-N 2.93Å; M288-K292 HydrophobicContact CG-CD 4.12Å; M288-K292 WeakPolarHBondContact O-CG 3.34Å; M288-K292 PolarHBondContact O-N 3.03Å; M288-K292 HydrophobicContact SD-CD 4.25Å; M288-K292 HydrophobicContact SD-CG 4.19Å
289G97.8Very high97.4Very high24 Ų2464.5 Ų64.525%0.24732%0.318CS..Hα-helixtrans-56.6-52.9173.900000111.9K285 K286 L287 Y291 K292 E293K285-G289 PolarHBondContact O-N 3.48Å; K286-G289 PolarHBondContact O-N 2.92Å; L287-G289 VanDerWaalsContact C-N 3.33Å; L287-G289 PolarHBondContact O-N 3.08Å; G289-Y291 VanDerWaalsContact C-N 3.3Å; G289-Y291 PolarHBondContact O-N 3.24Å; G289-K292 PolarHBondContact O-N 3.04Å; G289-E293 WeakPolarHBondContact O-CG 3.42Å; G289-E293 PolarHBondContact O-N 3.46Å
290W98.6Very high97.4Very high27 Ų2763.5 Ų63.510%0.10231%0.311CS..Hα-helixtrans-62.7-34.8177.1-66.6-30.5000113.6L131 I162 I165 K286 L287 E293 G294 K295 L296L131-W290 HydrophobicContact CD1-CH2 3.98Å; L131-W290 HydrophobicContact CD1-CZ3 3.86Å; I162-W290 HydrophobicContact CB-CZ3 4.49Å; I162-W290 HydrophobicContact CD1-CZ3 3.9Å; I162-W290 HydrophobicContact CG1-CE3 4.26Å; I162-W290 HydrophobicContact CG1-CH2 4.35Å; I162-W290 HydrophobicContact CG1-CZ3 3.65Å; I162-W290 HydrophobicContact CG2-CH2 4.13Å; I162-W290 HydrophobicContact CG2-CZ3 4.25Å; I165-W290 HydrophobicContact CD1-CB 4.28Å; I165-W290 HydrophobicContact CD1-CD2 3.69Å; I165-W290 HydrophobicContact CD1-CE3 4.05Å; I165-W290 HydrophobicContact CD1-CG 3.83Å; I165-W290 HydrophobicContact CD1-CZ2 4.42Å; I165-W290 HydrophobicContact CG2-CZ2 3.87Å; K286-W290 HydrophobicContact CD-CH2 4.08Å; K286-W290 HydrophobicContact CD-CZ2 4.19Å; K286-W290 HydrophobicContact CG-CD2 4.38Å; K286-W290 HydrophobicContact CG-CE3 4.38Å; K286-W290 HydrophobicContact CG-CH2 4.04Å; K286-W290 HydrophobicContact CG-CZ2 3.98Å; K286-W290 HydrophobicContact CG-CZ3 4.19Å; K286-W290 PolarHBondContact O-N 3.25Å; L287-W290 HydrophobicContact CD2-CE3 4.22Å; L287-W290 HydrophobicContact CD2-CZ3 4.27Å; L287-W290 PolarHBondContact O-N 2.66Å; W290-E293 PolarHBondContact O-N 3.14Å; W290-G294 PolarHBondContact O-N 3.36Å; W290-K295 HydrophobicContact CB-CB 4.23Å; W290-K295 PolarHBondContact O-N 2.89Å; W290-L296 HydrophobicContact CB-CB 3.86Å; W290-L296 PolarHBondContact O-N 2.96Å
291Y98.1Very high97.5Very high59 Ų5965.4 Ų65.423%0.23132%0.32CS..Hα-helixtrans-63.6-47.1174.6-175.1-87.4000111.4V114 L118 L287 M288 G289 E293 G294 L296V114-Y291 HydrophobicContact CB-CE1 4.49Å; V114-Y291 HydrophobicContact CG1-CD1 4.3Å; V114-Y291 HydrophobicContact CG1-CE1 3.96Å; V114-Y291 HydrophobicContact CG2-CD1 4.15Å; V114-Y291 HydrophobicContact CG2-CE1 3.87Å; L118-Y291 HydrophobicContact CD1-CD2 4.15Å; L118-Y291 HydrophobicContact CD1-CE1 4.12Å; L118-Y291 HydrophobicContact CD1-CE2 3.55Å; L287-Y291 PolarHBondContact O-N 2.76Å; M288-Y291 PolarHBondContact O-N 2.93Å; G289-Y291 VanDerWaalsContact C-N 3.3Å; G289-Y291 PolarHBondContact O-N 3.24Å; Y291-E293 VanDerWaalsContact C-N 3.29Å; Y291-E293 PolarHBondContact O-N 3.25Å; Y291-G294 PolarHBondContact O-N 3.25Å; Y291-L296 WeakPolarHBondContact CA-O 3.17Å; Y291-L296 VanDerWaalsContact CD2-O 3.31Å; Y291-L296 WeakPolarHBondContact CD2-O 3.25Å
292K96.8Very high97.6Very high142 Ų14264.8 Ų64.862%0.61732%0.315SS*.Hα-helixtrans-63.9-33.5177.5-70.8174.268178.60112.9P111 M288 G289 G294P111-K292 HydrophobicContact CG-CD 3.96Å; P111-K292 HydrophobicContact CG-CG 4.43Å; M288-K292 HydrophobicContact CG-CD 4.12Å; M288-K292 WeakPolarHBondContact O-CG 3.34Å; M288-K292 PolarHBondContact O-N 3.03Å; M288-K292 HydrophobicContact SD-CD 4.25Å; M288-K292 HydrophobicContact SD-CG 4.19Å; G289-K292 PolarHBondContact O-N 3.04Å; K292-G294 PolarHBondContact O-N 3.28Å
293E97.3Very high97.7Very high115 Ų11559.3 Ų59.354%0.53729%0.291SS..THydrogen-bonded Turntrans-76.9-4.6175.3-69.6172.1-158.700113.4G289 W290 Y291 K295G289-E293 WeakPolarHBondContact O-CG 3.42Å; G289-E293 PolarHBondContact O-N 3.46Å; W290-E293 PolarHBondContact O-N 3.14Å; Y291-E293 VanDerWaalsContact C-N 3.29Å; Y291-E293 PolarHBondContact O-N 3.25Å; E293-K295 HydrophobicContact CB-CD 4.29Å; E293-K295 HydrophobicContact CB-CG 4.14Å; E293-K295 PolarHBondContact O-N 3.12Å; E293-K295 VanDerWaalsContact OE2-CD 3.32Å; E293-K295 WeakPolarHBondContact OE2-CD 3.24Å; E293-K295 WeakPolarHBondContact OE2-CE 3.29Å; E293-K295 IonicContact OE2-NZ 2.68Å; E293-K295 PolarHBondContact OE2-NZ 3.21Å
294G97.3Very high97.7Very high45 Ų4566.9 Ų66.946%0.46432%0.323SS..THydrogen-bonded Turntrans72.77.3-175.900000114.5W290 Y291 K292W290-G294 PolarHBondContact O-N 3.36Å; Y291-G294 PolarHBondContact O-N 3.25Å; K292-G294 PolarHBondContact O-N 3.28Å
295K98.2Very high97.8Very high112 Ų11266.2 Ų66.249%0.48732%0.324SS..SBendtrans-78.4-24.1176.1-66.2179.3-177.5160.80112.7I165 W290 E293I165-K295 HydrophobicContact CD1-CB 4.02Å; I165-K295 HydrophobicContact CG1-CB 4.3Å; W290-K295 HydrophobicContact CB-CB 4.23Å; W290-K295 PolarHBondContact O-N 2.89Å; E293-K295 HydrophobicContact CB-CD 4.29Å; E293-K295 HydrophobicContact CB-CG 4.14Å; E293-K295 PolarHBondContact O-N 3.12Å; E293-K295 VanDerWaalsContact OE2-CD 3.32Å; E293-K295 WeakPolarHBondContact OE2-CD 3.24Å; E293-K295 WeakPolarHBondContact OE2-CE 3.29Å; E293-K295 IonicContact OE2-NZ 2.68Å; E293-K295 PolarHBondContact OE2-NZ 3.21Å
296L98.4Very high97.8Very high2 Ų260.1 Ų60.11%0.0130%0.297CS..SBendtrans-118.3120.9173-178.768.2000109.5I123 V158 Q161 L287 W290 Y291I123-L296 HydrophobicContact CD1-CD2 4.17Å; V158-L296 HydrophobicContact CB-CD1 4.41Å; V158-L296 HydrophobicContact CG1-CD1 3.98Å; V158-L296 HydrophobicContact CG2-CD1 4.33Å; Q161-L296 HydrophobicContact CB-CD1 3.99Å; L287-L296 HydrophobicContact CB-CD2 4.45Å; L287-L296 HydrophobicContact CD2-CD2 4.13Å; W290-L296 HydrophobicContact CB-CB 3.86Å; W290-L296 PolarHBondContact O-N 2.96Å; Y291-L296 WeakPolarHBondContact CA-O 3.17Å; Y291-L296 VanDerWaalsContact CD2-O 3.31Å; Y291-L296 WeakPolarHBondContact CD2-O 3.25Å
297K97.5Very high97.8Very high117 Ų11760.5 Ų60.551%0.50930%0.3SS..  trans-110.8147.2173.7-60.8177-174.9173.90109.4Q161 L186Q161-K297 PolarHBondContact NE2-O 3.08Å; L186-K297 HydrophobicContact CD2-CB 3.89Å; L186-K297 HydrophobicContact CD2-CD 4.46Å
298S94.7Very high97.8Very high31 Ų3164.1 Ų64.122%0.21732%0.32CS..  trans-134.9133.6176.4-165.90000110.1
299R96.6Very high97.8Very high105 Ų10563.7 Ų63.740%0.39632%0.318SS..  trans-110.2133.7168.5-179.8177.7-83.6172.90.4107.8Y182 E185 G323 K324Y182-R299 HydrophobicContact CE1-CB 4.3Å; Y182-R299 HydrophobicContact CE2-CB 4.03Å; Y182-R299 WeakPolarHBondContact OH-CB 3.37Å; Y182-R299 PolarHBondContact OH-N 3.1Å; E185-R299 IonicContact OE2-NH2 2.83Å; R299-G323 CarbonylContact O-C 3.58Å; R299-G323 VanDerWaalsContact O-CA 3.32Å; R299-G323 WeakPolarHBondContact O-CA 3.44Å; R299-K324 PolarHBondContact O-N 3.04Å
300E97.9Very high97.9Very high44 Ų4462.8 Ų62.821%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-109.4136.1174.8-61.5-179.9123.900109.1S117 L118 V302 K324 I326S117-E300 VanDerWaalsContact C-OE1 3.3Å; S117-E300 WeakPolarHBondContact CB-OE1 3.49Å; S117-E300 WeakPolarHBondContact CB-OE2 3.17Å; S117-E300 VanDerWaalsContact OG-CD 3.24Å; S117-E300 PolarHBondContact OG-OE1 3.13Å; S117-E300 VanDerWaalsContact OG-OE1 3.08Å; S117-E300 PolarHBondContact OG-OE2 2.91Å; L118-E300 HydrophobicContact CD2-CG 4.32Å; E300-V302 HydrophobicContact CB-CG2 4.13Å; E300-K324 CarbonylContact C-O 2.93Å; E300-K324 VanDerWaalsContact CA-O 3.27Å; E300-K324 WeakPolarHBondContact CA-O 3.35Å; E300-I326 HydrophobicContact CB-CD1 4.16Å; E300-I326 HydrophobicContact CB-CG1 4.42Å; E300-I326 HydrophobicContact CG-CD1 4.49Å
301H98.2Very high97.9Very high72 Ų7264 Ų6433%0.33332%0.323SS..EExtended strand (participates in β ladder)trans-96.2107.2169-177.793000107.2N321 K324 A325 I326H301-N321 HydrophobicContact CB-CB 3.75Å; H301-K324 PolarHBondContact N-O 3.12Å; H301-A325 WeakPolarHBondContact O-CA 3.15Å; H301-I326 PolarHBondContact O-N 3.39Å
302V98.4Very high97.9Very high69 Ų6961.7 Ų61.742%0.41832%0.316SS..EExtended strand (participates in β ladder)trans-102.3116-168.6-1730000110.5E300 I326 T328E300-V302 HydrophobicContact CB-CG2 4.13Å; V302-I326 HydrophobicContact CB-CG1 4.32Å; V302-I326 HydrophobicContact CG1-CD1 4.49Å; V302-I326 HydrophobicContact CG1-CG1 4.29Å; V302-I326 HydrophobicContact CG2-CD1 3.9Å; V302-I326 HydrophobicContact CG2-CG1 3.91Å; V302-T328 HydrophobicContact CG1-CG2 3.64Å
303T98.6Very high98Very high30 Ų3055 Ų5518%0.18429%0.287CS..EExtended strand (participates in β ladder)trans-92.1137.4164.7-54.80000109N308 A312 I326 V327 T328T303-N308 HydrophobicContact CG2-CB 3.54Å; T303-A312 HydrophobicContact CG2-CB 4.14Å; T303-I326 PolarHBondContact N-O 2.76Å; T303-V327 CarbonylContact O-C 3.51Å; T303-V327 VanDerWaalsContact O-CA 3.3Å; T303-V327 WeakPolarHBondContact O-CA 3.22Å; T303-T328 PolarHBondContact O-N 2.77Å; T303-T328 PolarHBondContact O-OG1 3.36Å
304K98.4Very high98Very high163 Ų16350.6 Ų50.671%0.70927%0.267SS*.EExtended strand (participates in β ladder)trans-99.8137.2179.5-62.4-172.5178.8-177.80111.3N308 T328K304-N308 PolarHBondContact O-ND2 2.84Å; K304-T328 WeakPolarHBondContact CA-OG1 3.35Å
305G98.2Very high98.1Very high19 Ų1948.7 Ų48.720%0.19625%0.247CC..SBendtrans90.9128.7176.200000112.7E307 N308 V327 T328G305-E307 PolarHBondContact O-N 2.79Å; G305-N308 WeakPolarHBondContact O-CB 3.25Å; G305-N308 PolarHBondContact O-N 3.38Å; G305-V327 WeakPolarHBondContact O-CG1 3.44Å; G305-T328 WeakPolarHBondContact CA-O 3.21Å; G305-T328 PolarHBondContact N-O 3.03Å
306F98.4Very high98.1Very high2 Ų244 Ų441%0.00923%0.227CC..G310 helixtrans-60.2-29.5178.9178.6-99.9000113.3K5 W7 L24 L44 W92 T94 N308 M309 V329K5-F306 HydrophobicContact CB-CD1 3.89Å; K5-F306 HydrophobicContact CB-CE1 3.65Å; K5-F306 HydrophobicContact CD-CD1 4.41Å; K5-F306 WeakPolarHBondContact O-CZ 3.38Å; W7-F306 AromaticContact CD1-CE1 3.5Å; W7-F306 VanDerWaalsContact CD1-CE1 3.5Å; W7-F306 AromaticContact CD1-CZ 3.53Å; W7-F306 HydrophobicContact CG-CE1 4.43Å; W7-F306 HydrophobicContact CG-CZ 4.43Å; W7-F306 AromaticContact NE1-CE1 3.77Å; W7-F306 PolarHBondContact NE1-O 2.96Å; L24-F306 HydrophobicContact CD1-CD1 4.21Å; L24-F306 HydrophobicContact CD1-CE1 3.73Å; L44-F306 HydrophobicContact CD1-CD2 4.11Å; L44-F306 HydrophobicContact CD1-CE2 4.43Å; L44-F306 HydrophobicContact CD2-CE2 4.26Å; W92-F306 HydrophobicContact CB-CE2 4.36Å; W92-F306 HydrophobicContact CB-CZ 4.44Å; W92-F306 WeakPolarHBondContact O-CZ 3.24Å; T94-F306 HydrophobicContact CG2-CB 3.86Å; T94-F306 HydrophobicContact CG2-CD1 3.59Å; T94-F306 HydrophobicContact CG2-CD2 3.67Å; T94-F306 HydrophobicContact CG2-CE1 4.01Å; T94-F306 HydrophobicContact CG2-CE2 4.08Å; T94-F306 HydrophobicContact CG2-CG 3.4Å; T94-F306 HydrophobicContact CG2-CZ 4.23Å; F306-N308 PolarHBondContact O-N 2.78Å; F306-M309 HydrophobicContact CD2-CG 4.02Å; F306-M309 HydrophobicContact CE2-CG 4.19Å; F306-M309 WeakPolarHBondContact O-CB 3.29Å; F306-M309 VanDerWaalsContact O-CG 3.23Å; F306-M309 WeakPolarHBondContact O-CG 3.41Å; F306-M309 PolarHBondContact O-N 2.95Å; F306-V329 HydrophobicContact CB-CG1 4.33Å; F306-V329 HydrophobicContact CD2-CG2 4.42Å
307E98.3Very high98.1Very high84 Ų8444.9 Ų44.939%0.39323%0.232SC..G310 helixtrans-62.1-22.2176.3-64.975.6-168.900112.2K5 W7 L24 G305 M309K5-E307 IonicContact NZ-OE1 2.79Å; K5-E307 PolarHBondContact NZ-OE1 3.34Å; W7-E307 VanDerWaalsContact CZ2-O 3.28Å; W7-E307 WeakPolarHBondContact CZ2-O 3.35Å; L24-E307 HydrophobicContact CD2-CG 4.39Å; G305-E307 PolarHBondContact O-N 2.79Å; E307-M309 VanDerWaalsContact C-N 3.34Å
308N98.4Very high98Very high76 Ų7644.5 Ų44.541%0.40623%0.232SC..G310 helixtrans-90.68.4-179.7-65.4-45.5000113.5T303 K304 G305 F306 A311 A312T303-N308 HydrophobicContact CG2-CB 3.54Å; K304-N308 PolarHBondContact O-ND2 2.84Å; G305-N308 WeakPolarHBondContact O-CB 3.25Å; G305-N308 PolarHBondContact O-N 3.38Å; F306-N308 PolarHBondContact O-N 2.78Å; N308-A311 PolarHBondContact O-N 3.49Å; N308-A312 WeakPolarHBondContact O-CB 3.3Å; N308-A312 PolarHBondContact O-N 2.77Å
309M98.5Very high98.1Very high0 Ų044.5 Ų44.50%024%0.236CC..Hα-helixtrans-54.5-49.9178.1-78-63.4-57.400113.4L44 V46 W92 F306 E307 A311 A312 F313 V327L44-M309 HydrophobicContact CB-CE 3.88Å; L44-M309 HydrophobicContact CB-SD 3.73Å; L44-M309 HydrophobicContact CD1-SD 4.33Å; L44-M309 HydrophobicContact CD2-CE 3.95Å; L44-M309 HydrophobicContact CD2-SD 4.08Å; L44-M309 HydrophobicContact CG-CE 4.5Å; L44-M309 HydrophobicContact CG-SD 4.27Å; V46-M309 HydrophobicContact CG2-CE 4.33Å; W92-M309 HydrophobicContact CD2-CB 4.16Å; W92-M309 HydrophobicContact CD2-CE 3.4Å; W92-M309 HydrophobicContact CD2-CG 4.49Å; W92-M309 HydrophobicContact CE3-CB 3.68Å; W92-M309 HydrophobicContact CE3-CE 4.06Å; W92-M309 HydrophobicContact CE3-CG 4.45Å; W92-M309 HydrophobicContact CG-CE 3.6Å; W92-M309 HydrophobicContact CH2-CE 4.44Å; W92-M309 HydrophobicContact CZ2-CE 3.83Å; W92-M309 HydrophobicContact CZ3-CB 3.97Å; W92-M309 VanDerWaalsContact NE1-CE 3.31Å; F306-M309 HydrophobicContact CD2-CG 4.02Å; F306-M309 HydrophobicContact CE2-CG 4.19Å; F306-M309 WeakPolarHBondContact O-CB 3.29Å; F306-M309 VanDerWaalsContact O-CG 3.23Å; F306-M309 WeakPolarHBondContact O-CG 3.41Å; F306-M309 PolarHBondContact O-N 2.95Å; E307-M309 VanDerWaalsContact C-N 3.34Å; M309-A311 PolarHBondContact O-N 3.13Å; M309-A312 PolarHBondContact O-N 2.86Å; M309-F313 WeakPolarHBondContact O-CB 3.45Å; M309-F313 PolarHBondContact O-N 2.85Å; M309-V327 HydrophobicContact CE-CG2 4.37Å; M309-V327 HydrophobicContact CG-CG1 4.33Å; M309-V327 HydrophobicContact CG-CG2 4.4Å; M309-V327 HydrophobicContact SD-CB 3.34Å; M309-V327 WeakPolarHBondContact SD-CB 3.27Å; M309-V327 HydrophobicContact SD-CG1 3.74Å; M309-V327 HydrophobicContact SD-CG2 3.22Å; M309-V327 WeakPolarHBondContact SD-CG2 3.28Å
310P98.5Very high98.1Very high5 Ų545.2 Ų45.23%0.03224%0.244CC..Hα-helixtrans-59.7-45.1176.9-26.136.1000113.2W7 F22 W92 A312 F313 M314W7-P310 HydrophobicContact CD2-CG 3.76Å; W7-P310 HydrophobicContact CE3-CG 3.83Å; W7-P310 HydrophobicContact CG-CG 4.41Å; W7-P310 HydrophobicContact CH2-CG 3.89Å; W7-P310 HydrophobicContact CZ2-CG 3.84Å; W7-P310 HydrophobicContact CZ3-CG 3.88Å; F22-P310 HydrophobicContact CB-CB 4.45Å; F22-P310 HydrophobicContact CB-CG 4.02Å; F22-P310 HydrophobicContact CD1-CG 4.35Å; F22-P310 HydrophobicContact CD2-CB 3.79Å; F22-P310 HydrophobicContact CD2-CG 4.25Å; F22-P310 HydrophobicContact CE2-CB 4.13Å; F22-P310 HydrophobicContact CG-CB 4.02Å; F22-P310 HydrophobicContact CG-CG 3.96Å; W92-P310 HydrophobicContact CZ3-CG 4.36Å; P310-A312 PolarHBondContact O-N 2.9Å; P310-F313 PolarHBondContact O-N 2.8Å; P310-M314 WeakPolarHBondContact O-CG 3.49Å; P310-M314 PolarHBondContact O-N 2.91Å
311A98.5Very high98Very high53 Ų5343.9 Ų43.944%0.43824%0.239SC..Hα-helixtrans-61.8-44.6178.200000111.8N308 M309 F313 M314 G315N308-A311 PolarHBondContact O-N 3.49Å; M309-A311 PolarHBondContact O-N 3.13Å; A311-F313 VanDerWaalsContact C-N 3.31Å; A311-F313 PolarHBondContact O-N 2.79Å; A311-M314 PolarHBondContact O-N 2.82Å; A311-G315 PolarHBondContact O-N 2.84Å
312A98.6Very high97.9Very high10 Ų1042.2 Ų42.28%0.08323%0.232CC..Hα-helixtrans-61.3-40.2176.500000112.1V46 T303 N308 M309 P310 M316 V327V46-A312 HydrophobicContact CG2-CB 4.16Å; T303-A312 HydrophobicContact CG2-CB 4.14Å; N308-A312 WeakPolarHBondContact O-CB 3.3Å; N308-A312 PolarHBondContact O-N 2.77Å; M309-A312 PolarHBondContact O-N 2.86Å; P310-A312 PolarHBondContact O-N 2.9Å; A312-M316 VanDerWaalsContact O-CB 3.3Å; A312-M316 WeakPolarHBondContact O-CB 3.47Å; A312-M316 PolarHBondContact O-N 2.79Å; A312-V327 HydrophobicContact CB-CG2 3.68Å
313F98.7Very high97.9Very high0 Ų038.9 Ų38.90%021%0.212CC..Hα-helixtrans-65.9-47.4177.1176-123.8000112.6F13 P17 F22 V46 M50 R51 W92 M309 P310 A311 M316 L317F13-F313 AromaticContact CE2-CE1 3.88Å; F13-F313 HydrophobicContact CE2-CE1 3.88Å; F13-F313 HydrophobicContact CE2-CZ 4.31Å; F13-F313 HydrophobicContact CZ-CE1 4.07Å; P17-F313 HydrophobicContact CB-CE1 4.28Å; P17-F313 HydrophobicContact CG-CD1 4.49Å; P17-F313 HydrophobicContact CG-CE1 3.78Å; P17-F313 HydrophobicContact CG-CZ 4.46Å; F22-F313 AromaticContact CZ-CD1 3.91Å; F22-F313 HydrophobicContact CZ-CD1 3.91Å; F22-F313 HydrophobicContact CZ-CE1 4.21Å; V46-F313 HydrophobicContact CG1-CB 4.08Å; V46-F313 HydrophobicContact CG1-CD2 4.15Å; M50-F313 HydrophobicContact CB-CD2 4.49Å; M50-F313 HydrophobicContact CB-CE2 3.72Å; M50-F313 HydrophobicContact CB-CZ 3.96Å; R51-F313 HydrophobicContact CB-CZ 3.88Å; W92-F313 HydrophobicContact CH2-CB 3.53Å; W92-F313 AromaticContact CH2-CD1 3.89Å; W92-F313 HydrophobicContact CH2-CD1 3.89Å; W92-F313 AromaticContact CH2-CG 3.76Å; W92-F313 HydrophobicContact CH2-CG 3.76Å; W92-F313 HydrophobicContact CZ2-CB 4.01Å; W92-F313 HydrophobicContact CZ2-CD2 4.48Å; W92-F313 HydrophobicContact CZ2-CG 4.1Å; M309-F313 WeakPolarHBondContact O-CB 3.45Å; M309-F313 PolarHBondContact O-N 2.85Å; P310-F313 PolarHBondContact O-N 2.8Å; A311-F313 VanDerWaalsContact C-N 3.31Å; A311-F313 PolarHBondContact O-N 2.79Å; F313-M316 HydrophobicContact CD2-CE 3.79Å; F313-M316 HydrophobicContact CE2-CE 3.98Å; F313-M316 PolarHBondContact O-N 3.46Å; F313-L317 HydrophobicContact CD1-CD1 4.28Å; F313-L317 HydrophobicContact CD2-CD1 4.25Å; F313-L317 HydrophobicContact CD2-CG 4.48Å; F313-L317 HydrophobicContact CE1-CD1 3.88Å; F313-L317 HydrophobicContact CE2-CD1 3.82Å; F313-L317 HydrophobicContact CE2-CD2 4.42Å; F313-L317 HydrophobicContact CE2-CG 4.16Å; F313-L317 HydrophobicContact CG-CD1 4.47Å; F313-L317 HydrophobicContact CZ-CD1 3.63Å; F313-L317 HydrophobicContact CZ-CG 4.44Å; F313-L317 WeakPolarHBondContact O-CG 3.47Å; F313-L317 PolarHBondContact O-N 2.93Å; F313-L317 VanDerWaalsContact O-N 3.14Å
314M98.5Very high97.8Very high24 Ų2437.7 Ų37.712%0.11820%0.204CC..Hα-helixtrans-64.1-44.7176.6-68.9-172.6-68.400112F16 P17 D19 P310 A311 M316 L317 Q318F16-M314 HydrophobicContact CE1-CB 3.97Å; F16-M314 HydrophobicContact CE1-CG 4.02Å; F16-M314 HydrophobicContact CE1-SD 4.2Å; F16-M314 HydrophobicContact CZ-CB 3.92Å; F16-M314 HydrophobicContact CZ-CG 4.32Å; F16-M314 WeakPolarHBondContact CZ-O 3.34Å; P17-M314 HydrophobicContact CB-CG 4.23Å; D19-M314 WeakPolarHBondContact OD1-CE 3.42Å; P310-M314 WeakPolarHBondContact O-CG 3.49Å; P310-M314 PolarHBondContact O-N 2.91Å; A311-M314 PolarHBondContact O-N 2.82Å; M314-M316 VanDerWaalsContact C-N 3.32Å; M314-M316 PolarHBondContact O-N 2.86Å; M314-L317 PolarHBondContact O-N 2.89Å; M314-L317 VanDerWaalsContact O-N 3.16Å; M314-Q318 PolarHBondContact O-N 3.29Å; M314-Q318 VanDerWaalsContact O-N 3.09Å
315G98.3Very high97.8Very high5 Ų530.1 Ų30.15%0.05217%0.172CC..Hα-helixtrans-61.4-38.5177.200000112.8A311 L317 Q318 G319 E320A311-G315 PolarHBondContact O-N 2.84Å; G315-L317 PolarHBondContact O-N 3.3Å; G315-Q318 PolarHBondContact O-N 2.81Å; G315-G319 PolarHBondContact O-N 2.85Å; G315-G319 VanDerWaalsContact O-N 3.14Å; G315-E320 WeakPolarHBondContact CA-OE2 3.48Å; G315-E320 WeakPolarHBondContact O-CB 3.35Å; G315-E320 WeakPolarHBondContact O-CG 3.23Å; G315-E320 PolarHBondContact O-N 2.84Å
316M98.3Very high97.9Very high13 Ų1329.3 Ų29.36%0.06416%0.163CC..Hα-helixtrans-62.7-42.5173.9178.1-77.1-61.600112.1V46 D47 P48 A312 F313 M314 Q318 G319 N321 A325V46-M316 HydrophobicContact CG1-CB 3.95Å; V46-M316 HydrophobicContact CG1-CE 3.99Å; V46-M316 HydrophobicContact CG1-CG 4.23Å; D47-M316 VanDerWaalsContact C-CE 3.4Å; P48-M316 HydrophobicContact CB-SD 4.49Å; P48-M316 HydrophobicContact CG-CE 4.19Å; P48-M316 HydrophobicContact CG-SD 3.71Å; A312-M316 VanDerWaalsContact O-CB 3.3Å; A312-M316 WeakPolarHBondContact O-CB 3.47Å; A312-M316 PolarHBondContact O-N 2.79Å; F313-M316 HydrophobicContact CD2-CE 3.79Å; F313-M316 HydrophobicContact CE2-CE 3.98Å; F313-M316 PolarHBondContact O-N 3.46Å; M314-M316 VanDerWaalsContact C-N 3.32Å; M314-M316 PolarHBondContact O-N 2.86Å; M316-Q318 VanDerWaalsContact C-N 3.26Å; M316-Q318 PolarHBondContact O-N 3.27Å; M316-G319 WeakPolarHBondContact O-CA 3.47Å; M316-G319 PolarHBondContact O-N 3.27Å; M316-N321 WeakPolarHBondContact CA-OD1 3.4Å; M316-A325 HydrophobicContact CB-CB 4.16Å; M316-A325 HydrophobicContact CG-CB 3.99Å
317L97.8Very high97.9Very high20 Ų2029.2 Ų29.211%0.10516%0.163CC..Hα-helixtrans-65.1-28.7176.7-69.3166.9000112.8F16 P17 R51 I243 F313 M314 G315F16-L317 HydrophobicContact CE2-CB 3.74Å; F16-L317 HydrophobicContact CE2-CD1 4.47Å; F16-L317 HydrophobicContact CZ-CB 4.28Å; P17-L317 HydrophobicContact CG-CD1 3.84Å; R51-L317 HydrophobicContact CB-CD1 4.43Å; R51-L317 HydrophobicContact CB-CD2 4.29Å; R51-L317 HydrophobicContact CG-CD1 4.37Å; I243-L317 HydrophobicContact CD1-CD2 4.32Å; I243-L317 HydrophobicContact CG1-CD2 4.49Å; F313-L317 HydrophobicContact CD1-CD1 4.28Å; F313-L317 HydrophobicContact CD2-CD1 4.25Å; F313-L317 HydrophobicContact CD2-CG 4.48Å; F313-L317 HydrophobicContact CE1-CD1 3.88Å; F313-L317 HydrophobicContact CE2-CD1 3.82Å; F313-L317 HydrophobicContact CE2-CD2 4.42Å; F313-L317 HydrophobicContact CE2-CG 4.16Å; F313-L317 HydrophobicContact CG-CD1 4.47Å; F313-L317 HydrophobicContact CZ-CD1 3.63Å; F313-L317 HydrophobicContact CZ-CG 4.44Å; F313-L317 WeakPolarHBondContact O-CG 3.47Å; F313-L317 PolarHBondContact O-N 2.93Å; F313-L317 VanDerWaalsContact O-N 3.14Å; M314-L317 PolarHBondContact O-N 2.89Å; M314-L317 VanDerWaalsContact O-N 3.16Å; G315-L317 PolarHBondContact O-N 3.3Å
318Q96.3Very high97.9Very high110 Ų11026.8 Ų26.851%0.51415%0.154SC..Hα-helixtrans-80.1-8.1172.5-67.9175.8-2.900113.1F16 M314 G315 M316 E320F16-Q318 HydrophobicContact CE2-CG 3.76Å; F16-Q318 HydrophobicContact CZ-CG 3.59Å; M314-Q318 PolarHBondContact O-N 3.29Å; M314-Q318 VanDerWaalsContact O-N 3.09Å; G315-Q318 PolarHBondContact O-N 2.81Å; M316-Q318 VanDerWaalsContact C-N 3.26Å; M316-Q318 PolarHBondContact O-N 3.27Å; Q318-E320 HydrophobicContact CB-CG 4.4Å
319G95.9Very high97.7Very high30 Ų3027.3 Ų27.331%0.30916%0.159SC..THydrogen-bonded Turntrans76.634.3-18000000113.2K179 G315 M316K179-G319 WeakPolarHBondContact CE-O 3.43Å; K179-G319 PolarHBondContact NZ-O 3.05Å; G315-G319 PolarHBondContact O-N 2.85Å; G315-G319 VanDerWaalsContact O-N 3.14Å; M316-G319 WeakPolarHBondContact O-CA 3.47Å; M316-G319 PolarHBondContact O-N 3.27Å
320E96.4Very high97.6Very high121 Ų12128.7 Ų28.757%0.56517%0.167SC*.  trans-72.1-32.2174.2-64.1-177.3160.200112.3G315 Q318G315-E320 WeakPolarHBondContact CA-OE2 3.48Å; G315-E320 WeakPolarHBondContact O-CB 3.35Å; G315-E320 WeakPolarHBondContact O-CG 3.23Å; G315-E320 PolarHBondContact O-N 2.84Å; Q318-E320 HydrophobicContact CB-CG 4.4Å
321N97.1Very high97.6Very high16 Ų1629.9 Ų29.99%0.08617%0.174CC..  trans-73.1140.9-177.365-60.3000112.7K179 H301 M316 G323 A325K179-N321 WeakPolarHBondContact CE-O 3.29Å; K179-N321 PolarHBondContact NZ-O 2.89Å; H301-N321 HydrophobicContact CB-CB 3.75Å; M316-N321 WeakPolarHBondContact CA-OD1 3.4Å; N321-G323 PolarHBondContact ND2-O 2.86Å; N321-A325 HydrophobicContact CB-CB 4.05Å
322I96.8Very high97.5Very high36 Ų3628.6 Ų28.619%0.18516%0.16CC..SBendtrans-108.2118.9162.9-54.7-174.3000107.4A178 K179 Y182A178-I322 HydrophobicContact CB-CD1 3.94Å; K179-I322 HydrophobicContact CG-CD1 4.16Å; K179-I322 HydrophobicContact CG-CG1 3.8Å; K179-I322 HydrophobicContact CG-CG2 4.42Å; Y182-I322 HydrophobicContact CD1-CG2 3.39Å; Y182-I322 HydrophobicContact CE1-CG2 3.96Å; Y182-I322 HydrophobicContact CG-CG2 3.86Å
323G96.6Very high97.5Very high0 Ų029.7 Ų29.70%016%0.164CC..BIsolated β-bridgetrans80.6-156.7-171.800000113.1A152 R299 N321 A325A152-G323 WeakPolarHBondContact O-CA 3.34Å; A152-G323 PolarHBondContact O-N 3.31Å; R299-G323 CarbonylContact O-C 3.58Å; R299-G323 VanDerWaalsContact O-CA 3.32Å; R299-G323 WeakPolarHBondContact O-CA 3.44Å; N321-G323 PolarHBondContact ND2-O 2.86Å; G323-A325 PolarHBondContact O-N 2.78Å
324K98.2Very high97.4Very high4 Ų431.6 Ų31.62%0.01717%0.174CC..EExtended strand (participates in β ladder)trans-77.7119.7-174172.458.2-170.8164.10111.2S45 V46 D47 V120 A154 R299 E300 H301 I326S45-K324 VanDerWaalsContact OG-CE 3.25Å; S45-K324 WeakPolarHBondContact OG-CE 3.39Å; S45-K324 PolarHBondContact OG-NZ 3.19Å; V46-K324 PolarHBondContact O-NZ 3.32Å; D47-K324 VanDerWaalsContact CG-NZ 3.31Å; D47-K324 IonicContact OD1-NZ 4Å; D47-K324 PolarHBondContact OD1-NZ 3.07Å; D47-K324 IonicContact OD2-NZ 3.38Å; V120-K324 VanDerWaalsContact O-CE 3.26Å; V120-K324 WeakPolarHBondContact O-CE 3.38Å; A154-K324 HydrophobicContact CB-CB 3.92Å; A154-K324 HydrophobicContact CB-CD 3.51Å; A154-K324 HydrophobicContact CB-CG 4.25Å; R299-K324 PolarHBondContact O-N 3.04Å; E300-K324 CarbonylContact C-O 2.93Å; E300-K324 VanDerWaalsContact CA-O 3.27Å; E300-K324 WeakPolarHBondContact CA-O 3.35Å; H301-K324 PolarHBondContact N-O 3.12Å; K324-I326 HydrophobicContact CG-CG2 3.86Å
325A98.6Very high97.3Very high5 Ų532.1 Ų32.14%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-74.8126.817200000110.8V46 H301 M316 N321 G323V46-A325 HydrophobicContact CB-CB 3.9Å; V46-A325 HydrophobicContact CG1-CB 4.34Å; V46-A325 PolarHBondContact N-O 3.13Å; V46-A325 VanDerWaalsContact N-O 3.17Å; H301-A325 WeakPolarHBondContact O-CA 3.15Å; M316-A325 HydrophobicContact CB-CB 4.16Å; M316-A325 HydrophobicContact CG-CB 3.99Å; N321-A325 HydrophobicContact CB-CB 4.05Å; G323-A325 PolarHBondContact O-N 2.78Å
326I98.7Very high97.3Very high1 Ų134 Ų341%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-136.1159.1174.966.3173.3000110.5F43 L44 V120 E300 H301 V302 T303 K324F43-I326 HydrophobicContact CD1-CD1 4.08Å; L44-I326 CarbonylContact O-C 3.38Å; L44-I326 VanDerWaalsContact O-CA 3.26Å; L44-I326 WeakPolarHBondContact O-CA 3.21Å; V120-I326 HydrophobicContact CG2-CG2 4.31Å; E300-I326 HydrophobicContact CB-CD1 4.16Å; E300-I326 HydrophobicContact CB-CG1 4.42Å; E300-I326 HydrophobicContact CG-CD1 4.49Å; H301-I326 PolarHBondContact O-N 3.39Å; V302-I326 HydrophobicContact CB-CG1 4.32Å; V302-I326 HydrophobicContact CG1-CD1 4.49Å; V302-I326 HydrophobicContact CG1-CG1 4.29Å; V302-I326 HydrophobicContact CG2-CD1 3.9Å; V302-I326 HydrophobicContact CG2-CG1 3.91Å; T303-I326 PolarHBondContact N-O 2.76Å; K324-I326 HydrophobicContact CG-CG2 3.86Å
327V98.8Very high97.2Very high0 Ų035.6 Ų35.60%020%0.197CC..EExtended strand (participates in β ladder)trans-116.1134.7168.4-177.10000109.7F43 L44 V46 T303 G305 M309 A312F43-V327 CarbonylContact C-O 3.43Å; F43-V327 VanDerWaalsContact CA-O 3.28Å; F43-V327 WeakPolarHBondContact CA-O 3.43Å; L44-V327 HydrophobicContact CB-CB 4.49Å; L44-V327 PolarHBondContact N-O 3.24Å; L44-V327 PolarHBondContact O-N 3.5Å; V46-V327 HydrophobicContact CG2-CG2 3.79Å; T303-V327 CarbonylContact O-C 3.51Å; T303-V327 VanDerWaalsContact O-CA 3.3Å; T303-V327 WeakPolarHBondContact O-CA 3.22Å; G305-V327 WeakPolarHBondContact O-CG1 3.44Å; M309-V327 HydrophobicContact CE-CG2 4.37Å; M309-V327 HydrophobicContact CG-CG1 4.33Å; M309-V327 HydrophobicContact CG-CG2 4.4Å; M309-V327 HydrophobicContact SD-CB 3.34Å; M309-V327 WeakPolarHBondContact SD-CB 3.27Å; M309-V327 HydrophobicContact SD-CG1 3.74Å; M309-V327 HydrophobicContact SD-CG2 3.22Å; M309-V327 WeakPolarHBondContact SD-CG2 3.28Å; A312-V327 HydrophobicContact CB-CG2 3.68Å
328T98.2Very high97.1Very high34 Ų3436.9 Ų36.921%0.20920%0.204CC..EExtended strand (participates in β ladder)trans-92.6133.3169.743.90000109.5F43 V302 T303 K304 G305F43-T328 HydrophobicContact CD1-CG2 3.6Å; F43-T328 HydrophobicContact CE1-CG2 3.52Å; V302-T328 HydrophobicContact CG1-CG2 3.64Å; T303-T328 PolarHBondContact O-N 2.77Å; T303-T328 PolarHBondContact O-OG1 3.36Å; K304-T328 WeakPolarHBondContact CA-OG1 3.35Å; G305-T328 WeakPolarHBondContact CA-O 3.21Å; G305-T328 PolarHBondContact N-O 3.03Å
329V94.2Very high97.2Very high86 Ų8630.3 Ų30.352%0.52118%0.176SC..  trans-92.50-177.4-177.90000110.9A41 V42 L44 T94 F306A41-V329 HydrophobicContact CB-CG2 4.04Å; A41-V329 WeakPolarHBondContact O-CB 3.18Å; V42-V329 PolarHBondContact O-N 2.98Å; L44-V329 HydrophobicContact CD1-CG2 3.13Å; T94-V329 HydrophobicContact CG2-CG1 3.8Å; F306-V329 HydrophobicContact CB-CG1 4.33Å; F306-V329 HydrophobicContact CD2-CG2 4.42Å

Retrieved 329 of 329 residues in 78.9 ms (Link to these results)

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