Z4YHS7_DANRE Loading...

TBCC domain-containing protein 1

AlphaFold DB , UniProt , Accession Z4YHS7, Species DANRE (Danio rerio, Zebrafish), Gene tbccd1, Length 582 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
1M39.7Very low78Confident239 Ų23983.3 Ų83.3100%1.17739%0.391SS*.  0100.80-74.1-174.4-174.100106.9K3M1-K3 PolarHBondContact O-N 3.25Å
2D47.8Very low79Confident163 Ų16376.4 Ų76.487%0.87236%0.359SS*.  trans-64.6121.1178-69.1-26.9000109Y4D2-Y4 PolarHBondContact O-N 3.44Å
3K57.2Low79.8Confident184 Ų18471.8 Ų71.880%0.834%0.337SS*.  trans-59.7112.1175.6-77.2-178.2177.3179.50108.2M1 T5M1-K3 PolarHBondContact O-N 3.25Å; K3-T5 PolarHBondContact O-N 2.74Å; K3-T5 PolarHBondContact O-OG1 3.41Å
4Y71.3Confident80.7Confident98 Ų9866.9 Ų66.938%0.38431%0.314SS..  trans-64.187.4172.4-127.5-105.3000108.4D2 V221D2-Y4 PolarHBondContact O-N 3.44Å; Y4-V221 HydrophobicContact CD1-CG1 3.38Å; Y4-V221 HydrophobicContact CE1-CB 4.44Å; Y4-V221 HydrophobicContact CE1-CG1 3.36Å; Y4-V221 HydrophobicContact CG-CG1 4.14Å
5T83.2Confident81.5Confident57 Ų5762.4 Ų62.435%0.3529%0.293SS..  trans-100.9126.5-173.9-49.70000108.2K3 Y7 S222K3-T5 PolarHBondContact O-N 2.74Å; K3-T5 PolarHBondContact O-OG1 3.41Å; T5-Y7 HydrophobicContact CG2-CE2 4.49Å; T5-S222 PolarHBondContact O-N 2.89Å
6A89.3Confident82Confident7 Ų759.4 Ų59.46%0.05828%0.279CS..EExtended strand (participates in β ladder)trans-87137.117300000110L239 F260A6-L239 HydrophobicContact CB-CD1 4.09Å; A6-L239 HydrophobicContact CB-CD2 3.83Å; A6-F260 HydrophobicContact CB-CE2 4.39Å; A6-F260 HydrophobicContact CB-CZ 3.95Å
7Y92.6Very high82.4Confident92 Ų9256.6 Ų56.636%0.36127%0.268SS..EExtended strand (participates in β ladder)trans-113.8119.6169.1-61.4-80.1000107.3T5 W9 G219 S220T5-Y7 HydrophobicContact CG2-CE2 4.49Å; Y7-W9 WeakPolarHBondContact O-CZ3 3.33Å; Y7-G219 CarbonylContact O-C 3.47Å; Y7-G219 WeakPolarHBondContact O-CA 3.41Å; Y7-S220 PolarHBondContact N-O 2.82Å; Y7-S220 PolarHBondContact O-N 3.45Å
8V94.6Very high82.9Confident2 Ų253.5 Ų53.51%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-117.9137.7-178.3178.20000108.3L217 E218 V230 L261 A264 L265 C266V8-L217 HydrophobicContact CG1-CB 4.06Å; V8-L217 HydrophobicContact CG1-CD1 4.28Å; V8-E218 CarbonylContact C-O 3.57Å; V8-E218 WeakPolarHBondContact CA-O 3.18Å; V8-V230 HydrophobicContact CG1-CG2 3.93Å; V8-L261 HydrophobicContact CG1-CD2 4.31Å; V8-A264 HydrophobicContact CB-CB 4.29Å; V8-A264 HydrophobicContact CG2-CB 3.97Å; V8-A264 PolarHBondContact N-O 2.91Å; V8-L265 HydrophobicContact CG1-CD2 4.28Å; V8-L265 CarbonylContact O-C 3.47Å; V8-L265 VanDerWaalsContact O-CA 3.24Å; V8-L265 WeakPolarHBondContact O-CA 3.23Å; V8-C266 PolarHBondContact O-N 3.24Å; V8-C266 PolarHBondContact O-SG 2.92Å
9W94.6Very high83.4Confident11 Ų1150.8 Ų50.84%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-141.6159.6179.356.381.9000112Y7 R11 L217 E218 G219 V227 C266 N268 P269 F270Y7-W9 WeakPolarHBondContact O-CZ3 3.33Å; W9-R11 PolarHBondContact O-N 3.01Å; W9-L217 WeakPolarHBondContact O-CA 3.34Å; W9-E218 HydrophobicContact CZ2-CG 4.22Å; W9-E218 PolarHBondContact N-O 3.32Å; W9-E218 PolarHBondContact NE1-OE1 3.1Å; W9-E218 PolarHBondContact O-N 2.98Å; W9-E218 VanDerWaalsContact O-N 3.09Å; W9-G219 VanDerWaalsContact CH2-C 3.5Å; W9-V227 HydrophobicContact CH2-CG2 4.39Å; W9-V227 HydrophobicContact CZ2-CG1 3.93Å; W9-V227 HydrophobicContact CZ2-CG2 3.91Å; W9-C266 WeakPolarHBondContact CB-O 3.26Å; W9-N268 HydrophobicContact CB-CB 4.18Å; W9-N268 HydrophobicContact CG-CB 4.17Å; W9-P269 VanDerWaalsContact CD2-CD 3.42Å; W9-P269 HydrophobicContact CD2-CG 4.09Å; W9-P269 HydrophobicContact CE3-CG 4.25Å; W9-P269 HydrophobicContact CH2-CG 4.14Å; W9-P269 HydrophobicContact CZ2-CG 4.01Å; W9-P269 HydrophobicContact CZ3-CG 4.26Å; W9-F270 AromaticContact CZ2-CE2 3.84Å; W9-F270 HydrophobicContact CZ2-CE2 3.84Å
10P95Very high83.6Confident2 Ų248.6 Ų48.61%0.01323%0.23CC..EExtended strand (participates in β ladder)trans-65.6130.3173.4-16.529.7000111.6F15 H172 L173 I176 L216 N268P10-F15 HydrophobicContact CB-CE2 3.82Å; P10-F15 HydrophobicContact CB-CZ 4.18Å; P10-H172 HydrophobicContact CB-CB 4.16Å; P10-H172 HydrophobicContact CG-CB 4.38Å; P10-L173 HydrophobicContact CG-CB 4.46Å; P10-L173 HydrophobicContact CG-CD1 4.49Å; P10-I176 HydrophobicContact CB-CG1 4.15Å; P10-I176 HydrophobicContact CG-CB 4.38Å; P10-I176 HydrophobicContact CG-CG1 3.93Å; P10-L216 CarbonylContact C-O 3.55Å; P10-L216 WeakPolarHBondContact CA-O 3.34Å; P10-N268 PolarHBondContact O-ND2 3.47Å
11R93.2Very high83.5Confident61 Ų6147.9 Ų47.923%0.2323%0.23CC..  trans-61.7142.5171.2-71.4-174.661.3-154.3-9.8109.9W9 E13 P14 F15 S214 L215 L216 E218W9-R11 PolarHBondContact O-N 3.01Å; R11-E13 IonicContact NH2-OE2 3.21Å; R11-E13 PolarHBondContact NH2-OE2 3.15Å; R11-P14 HydrophobicContact CB-CG 4.18Å; R11-F15 WeakPolarHBondContact O-CD2 3.4Å; R11-S214 WeakPolarHBondContact CD-O 3.47Å; R11-S214 PolarHBondContact NH1-O 3.22Å; R11-L215 WeakPolarHBondContact CD-O 3.42Å; R11-L215 PolarHBondContact NH1-O 2.95Å; R11-L216 PolarHBondContact N-O 3.33Å; R11-E218 HydrophobicContact CG-CB 3.81Å; R11-E218 HydrophobicContact CG-CG 3.7Å; R11-E218 IonicContact NE-OE2 3Å
12L89.3Confident85.3Confident1 Ų137.3 Ų37.31%0.00518%0.18CC..SBendtrans-74.2-44.6-176.9-178.162.7000112.3F15 L16 W167 V169L12-F15 PolarHBondContact O-N 3.27Å; L12-L16 HydrophobicContact CG-CB 4.43Å; L12-L16 HydrophobicContact CG-CD2 4.44Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.36Å; L12-W167 HydrophobicContact CD2-CZ3 4.47Å; L12-V169 HydrophobicContact CD1-CG1 4.46Å
13E89.7Confident86.9Confident16 Ų1632.2 Ų32.28%0.07516%0.155CC..Hα-helixtrans-59.7-46.2-168.4174.1177.4-142.100115.6R11 F15 L16 V17 L80 W350R11-E13 IonicContact NH2-OE2 3.21Å; R11-E13 PolarHBondContact NH2-OE2 3.15Å; E13-F15 PolarHBondContact O-N 3.34Å; E13-L16 PolarHBondContact O-N 2.98Å; E13-V17 PolarHBondContact O-N 2.81Å; E13-L80 HydrophobicContact CG-CD2 4.11Å; E13-W350 VanDerWaalsContact OE1-CE2 3.27Å; E13-W350 WeakPolarHBondContact OE1-CZ2 3.21Å; E13-W350 PolarHBondContact OE1-NE1 3.05Å
14P92.9Very high88.2Confident3 Ų324 Ų242%0.01912%0.12CC..Iπ-helixtrans-60-33.9179-21.130000113R11 G18 V19 L124 L215 L216R11-P14 HydrophobicContact CB-CG 4.18Å; P14-G18 CarbonylContact O-C 3.6Å; P14-G18 WeakPolarHBondContact O-CA 3.35Å; P14-G18 PolarHBondContact O-N 2.73Å; P14-G18 VanDerWaalsContact O-N 3.08Å; P14-V19 PolarHBondContact O-N 2.79Å; P14-L124 HydrophobicContact CB-CD2 3.73Å; P14-L215 WeakPolarHBondContact CG-O 3.27Å; P14-L216 HydrophobicContact CB-CD2 4.14Å
15F92.6Very high88.8Confident0 Ų019.7 Ų19.70%010%0.104CC..Iπ-helixtrans-80.2-38.7177.6-64.5-95.6000111.9P10 R11 L12 E13 L124 L127 N166 H172 F175 I176P10-F15 HydrophobicContact CB-CE2 3.82Å; P10-F15 HydrophobicContact CB-CZ 4.18Å; R11-F15 WeakPolarHBondContact O-CD2 3.4Å; L12-F15 PolarHBondContact O-N 3.27Å; E13-F15 PolarHBondContact O-N 3.34Å; F15-L124 HydrophobicContact CD1-CD1 3.9Å; F15-L124 HydrophobicContact CD1-CD2 4.5Å; F15-L124 HydrophobicContact CD1-CG 4.36Å; F15-L124 HydrophobicContact CE1-CD1 3.37Å; F15-L124 HydrophobicContact CE1-CG 4.3Å; F15-L124 HydrophobicContact CE2-CD1 4.18Å; F15-L124 HydrophobicContact CZ-CD1 3.55Å; F15-L127 HydrophobicContact CD1-CD2 3.91Å; F15-N166 VanDerWaalsContact O-CB 3.3Å; F15-N166 WeakPolarHBondContact O-CB 3.38Å; F15-N166 PolarHBondContact O-ND2 3.34Å; F15-H172 WeakPolarHBondContact CB-CE1 3.43Å; F15-H172 WeakPolarHBondContact CB-NE2 3.36Å; F15-H172 HydrophobicContact CD1-CB 4.15Å; F15-H172 AromaticContact CD1-CD2 3.57Å; F15-H172 AromaticContact CD1-CG 3.71Å; F15-H172 AromaticContact CD1-NE2 3.98Å; F15-H172 HydrophobicContact CD2-CB 4.46Å; F15-H172 AromaticContact CD2-ND1 3.97Å; F15-H172 HydrophobicContact CE1-CB 3.98Å; F15-H172 HydrophobicContact CE2-CB 4.34Å; F15-H172 HydrophobicContact CG-CB 4.34Å; F15-H172 AromaticContact CG-CD2 3.8Å; F15-H172 AromaticContact CG-CE1 3.78Å; F15-H172 AromaticContact CG-CG 3.7Å; F15-H172 AromaticContact CG-ND1 3.68Å; F15-H172 AromaticContact CG-NE2 3.86Å; F15-H172 HydrophobicContact CZ-CB 4.07Å; F15-F175 HydrophobicContact CE1-CD1 4.08Å; F15-I176 HydrophobicContact CZ-CD1 3.97Å; F15-I176 HydrophobicContact CZ-CG1 3.96Å
16L89.4Confident88.8Confident14 Ų1419.9 Ų19.97%0.07311%0.108CC..Iπ-helixtrans-69.4-51.6-177.1176.457.1000112.4L12 E13 W167 N332L12-L16 HydrophobicContact CG-CB 4.43Å; L12-L16 HydrophobicContact CG-CD2 4.44Å; L12-L16 WeakPolarHBondContact O-CB 3.41Å; L12-L16 PolarHBondContact O-N 3.36Å; E13-L16 PolarHBondContact O-N 2.98Å; L16-W167 HydrophobicContact CD1-CD2 3.71Å; L16-W167 HydrophobicContact CD1-CE3 4.32Å; L16-W167 HydrophobicContact CD1-CG 4.17Å; L16-W167 HydrophobicContact CD1-CH2 4Å; L16-W167 HydrophobicContact CD1-CZ2 3.35Å; L16-W167 HydrophobicContact CD1-CZ3 4.43Å; L16-W167 HydrophobicContact CD2-CH2 3.66Å; L16-W167 HydrophobicContact CD2-CZ2 3.78Å; L16-W167 HydrophobicContact CD2-CZ3 4.18Å; L16-W167 HydrophobicContact CG-CZ2 4.21Å; L16-N332 HydrophobicContact CD2-CB 4.13Å
17V88.5Confident88.6Confident13 Ų1321.3 Ų21.38%0.07911%0.113CC..Iπ-helixtrans-103.1-30.2-172.4179.60000111.6E13 L79 L80E13-V17 PolarHBondContact O-N 2.81Å; V17-L79 HydrophobicContact CG1-CD2 4.23Å; V17-L80 HydrophobicContact CB-CD2 3.76Å; V17-L80 HydrophobicContact CG1-CD2 3.85Å
18G91.1Very high88.4Confident0 Ų017 Ų170%010%0.096CC..Iπ-helixtrans-87.1-36.2-172.200000115P14 L20 T76 F121 Q125P14-G18 CarbonylContact O-C 3.6Å; P14-G18 WeakPolarHBondContact O-CA 3.35Å; P14-G18 PolarHBondContact O-N 2.73Å; P14-G18 VanDerWaalsContact O-N 3.08Å; G18-L20 PolarHBondContact O-N 3.47Å; G18-T76 WeakPolarHBondContact O-CG2 3.43Å; G18-F121 VanDerWaalsContact O-CE2 3.24Å; G18-F121 WeakPolarHBondContact O-CE2 3.37Å; G18-Q125 PolarHBondContact O-NE2 3.47Å
19V91.9Very high88.1Confident3 Ų318 Ų182%0.01810%0.103CC..SBendtrans-78.8118.2178.5177.50000109.1P14 L124 L127 N128 N166P14-V19 PolarHBondContact O-N 2.79Å; V19-L124 HydrophobicContact CG2-CB 4.36Å; V19-L124 HydrophobicContact CG2-CD2 3.63Å; V19-L124 HydrophobicContact CG2-CG 3.54Å; V19-L127 HydrophobicContact CG1-CB 4.21Å; V19-L127 HydrophobicContact CG1-CD2 4.31Å; V19-N128 VanDerWaalsContact CG1-ND2 3.3Å; V19-N128 WeakPolarHBondContact CG1-ND2 3.35Å; V19-N166 PolarHBondContact O-ND2 2.84Å
20L88.3Confident87.9Confident6 Ų618.2 Ų18.23%0.03111%0.105CC..  trans-67.2134.2174.4-59.5-177.2000109.4G18 A22 L72 Y73 T76 N128 L407 F449G18-L20 PolarHBondContact O-N 3.47Å; L20-A22 PolarHBondContact O-N 3.5Å; L20-L72 HydrophobicContact CD1-CD2 3.66Å; L20-L72 HydrophobicContact CD1-CG 4.13Å; L20-Y73 HydrophobicContact CD1-CD1 4.25Å; L20-Y73 HydrophobicContact CD1-CE1 3.6Å; L20-Y73 HydrophobicContact CG-CE1 4.19Å; L20-T76 HydrophobicContact CD2-CG2 4.49Å; L20-N128 PolarHBondContact O-ND2 2.88Å; L20-L407 HydrophobicContact CD2-CD2 4.1Å; L20-F449 HydrophobicContact CD1-CE2 3.98Å; L20-F449 HydrophobicContact CD1-CZ 4.41Å
21P80.6Confident87.6Confident34 Ų3422.2 Ų22.222%0.22112%0.123CC..SBendtrans-7951.7-178.118.8-10.4000112.2H372 T389 L409P21-H372 WeakPolarHBondContact CG-CE1 3.49Å; P21-T389 HydrophobicContact CG-CG2 4.4Å; P21-L409 HydrophobicContact CB-CD1 4.2Å; P21-L409 HydrophobicContact CG-CD1 3.63Å
22A78.6Confident87.5Confident17 Ų1723.4 Ų23.414%0.1413%0.128CC..SBendtrans-147167.9178.800000110.6L20 N128 L409 F449L20-A22 PolarHBondContact O-N 3.5Å; A22-N128 WeakPolarHBondContact O-CB 3.37Å; A22-L409 HydrophobicContact CB-CD2 4.29Å; A22-F449 HydrophobicContact CB-CD1 3.58Å; A22-F449 HydrophobicContact CB-CE1 3.2Å; A22-F449 HydrophobicContact CB-CZ 4.1Å
23T81.1Confident87.7Confident55 Ų5523.4 Ų23.434%0.33713%0.128SC..PPolyproline II helixtrans-66.8127.6177.4-60.40000109I130T23-I130 WeakPolarHBondContact OG1-CD1 3.34Å
24P83.9Confident87.7Confident12 Ų1225.3 Ų25.38%0.07814%0.135CC..PPolyproline II helixtrans-68.5158.7178.830.7-38.3000111.3S26 F28 Q125 R129P24-S26 PolarHBondContact O-N 3.31Å; P24-F28 HydrophobicContact CB-CD2 4.35Å; P24-Q125 HydrophobicContact CB-CB 3.87Å; P24-Q125 WeakPolarHBondContact CG-O 3.32Å; P24-R129 HydrophobicContact CG-CB 4.25Å
25P85.6Confident87.6Confident7 Ų731 Ų315%0.04516%0.159CC..PPolyproline II helixtrans-51137.2170.8-2834.6000111.8K27 F28 L65 L69 Y73 E452P25-K27 PolarHBondContact O-N 3.21Å; P25-F28 HydrophobicContact CB-CD1 4.43Å; P25-F28 HydrophobicContact CB-CG 4.4Å; P25-F28 HydrophobicContact CG-CD2 4.3Å; P25-F28 HydrophobicContact CG-CE2 4.13Å; P25-F28 HydrophobicContact CG-CZ 4.25Å; P25-F28 PolarHBondContact O-N 3.09Å; P25-L65 HydrophobicContact CB-CD2 3.67Å; P25-L65 HydrophobicContact CG-CD2 3.81Å; P25-L69 HydrophobicContact CG-CD2 4.1Å; P25-Y73 WeakPolarHBondContact CD-OH 3.44Å; P25-Y73 HydrophobicContact CG-CE2 4.04Å; P25-E452 VanDerWaalsContact CA-OE1 3.24Å; P25-E452 WeakPolarHBondContact CA-OE1 3.47Å; P25-E452 WeakPolarHBondContact CB-OE1 3.29Å
26S82.2Confident87.6Confident62 Ų6231.4 Ų31.443%0.43416%0.161SC..G310 helixtrans-57-27.3-177.853.70000112.6P24 F28 E452P24-S26 PolarHBondContact O-N 3.31Å; S26-F28 VanDerWaalsContact C-N 3.34Å; S26-F28 PolarHBondContact O-N 3.46Å; S26-E452 WeakPolarHBondContact CB-OE2 3.45Å; S26-E452 PolarHBondContact N-OE1 2.97Å; S26-E452 PolarHBondContact OG-OE2 2.84Å
27K85.9Confident87.7Confident36 Ų3630.9 Ų30.916%0.15716%0.159CC..G310 helixtrans-83.93.2179.6-66.6173.6177.3-177.20115.1P25 S29 Y32 L63P25-K27 PolarHBondContact O-N 3.21Å; K27-S29 PolarHBondContact O-N 3.04Å; K27-Y32 HydrophobicContact CB-CD2 3.96Å; K27-Y32 HydrophobicContact CB-CE2 4.15Å; K27-Y32 HydrophobicContact CB-CG 4.39Å; K27-Y32 HydrophobicContact CG-CD2 4.19Å; K27-Y32 HydrophobicContact CG-CE2 3.85Å; K27-Y32 WeakPolarHBondContact O-CB 3.5Å; K27-Y32 WeakPolarHBondContact O-CD2 3.39Å; K27-L63 HydrophobicContact CB-CD2 4.3Å; K27-L63 WeakPolarHBondContact CD-O 3.39Å; K27-L63 PolarHBondContact NZ-O 3.23Å
28F87.8Confident87.8Confident1 Ų132.1 Ų32.10%0.00417%0.169CC..G310 helixtrans-8218165.4-72.6-2000113.3P24 P25 S26 L33 W55 L63 L65 Y73 L122 Q125 Q126P24-F28 HydrophobicContact CB-CD2 4.35Å; P25-F28 HydrophobicContact CB-CD1 4.43Å; P25-F28 HydrophobicContact CB-CG 4.4Å; P25-F28 HydrophobicContact CG-CD2 4.3Å; P25-F28 HydrophobicContact CG-CE2 4.13Å; P25-F28 HydrophobicContact CG-CZ 4.25Å; P25-F28 PolarHBondContact O-N 3.09Å; S26-F28 VanDerWaalsContact C-N 3.34Å; S26-F28 PolarHBondContact O-N 3.46Å; F28-L33 WeakPolarHBondContact O-CD1 3.26Å; F28-W55 HydrophobicContact CE1-CH2 4.3Å; F28-W55 HydrophobicContact CZ-CH2 4.45Å; F28-L63 HydrophobicContact CD1-CD1 4.42Å; F28-L63 HydrophobicContact CE1-CD1 4.03Å; F28-L65 HydrophobicContact CE1-CD1 3.74Å; F28-L65 HydrophobicContact CZ-CD1 3.92Å; F28-Y73 HydrophobicContact CE2-CD1 4.18Å; F28-Y73 AromaticContact CE2-CD2 3.9Å; F28-Y73 HydrophobicContact CE2-CD2 3.9Å; F28-Y73 AromaticContact CE2-CE1 3.87Å; F28-Y73 HydrophobicContact CE2-CE1 3.87Å; F28-Y73 AromaticContact CE2-CE2 3.53Å; F28-Y73 HydrophobicContact CE2-CE2 3.53Å; F28-Y73 HydrophobicContact CE2-CG 4.21Å; F28-Y73 AromaticContact CE2-CZ 3.53Å; F28-Y73 AromaticContact CZ-CD2 3.73Å; F28-Y73 HydrophobicContact CZ-CD2 3.73Å; F28-Y73 AromaticContact CZ-CE2 3.68Å; F28-Y73 HydrophobicContact CZ-CE2 3.68Å; F28-Y73 HydrophobicContact CZ-CG 4.23Å; F28-L122 HydrophobicContact CE1-CD2 4.34Å; F28-L122 HydrophobicContact CE2-CD2 3.9Å; F28-L122 HydrophobicContact CZ-CD2 3.7Å; F28-Q125 HydrophobicContact CD2-CB 4.24Å; F28-Q125 HydrophobicContact CD2-CG 4.35Å; F28-Q125 HydrophobicContact CE2-CG 4.37Å; F28-Q126 PolarHBondContact O-NE2 3.18Å
29S88.2Confident87.8Confident24 Ų2436 Ų3617%0.16818%0.184CC..SBendtrans-64.4155.4170.576.60000112.2K27 H31 Y32 L33K27-S29 PolarHBondContact O-N 3.04Å; S29-H31 PolarHBondContact O-N 3.03Å; S29-H31 VanDerWaalsContact O-N 3.09Å; S29-Y32 PolarHBondContact O-N 3.39Å; S29-Y32 VanDerWaalsContact O-N 3.07Å; S29-Y32 VanDerWaalsContact OG-CD2 3.31Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.44Å; S29-L33 PolarHBondContact O-N 2.96Å
30M89.4Confident87.8Confident15 Ų1535.9 Ų35.97%0.07418%0.183CC..Hα-helixtrans-49.7-38.2176.4-17355.7-176.300113.6Y32 L33 R34 Y123 E182 E185 L186M30-Y32 PolarHBondContact O-N 3.36Å; M30-L33 PolarHBondContact O-N 2.93Å; M30-R34 VanDerWaalsContact O-CB 3.27Å; M30-R34 WeakPolarHBondContact O-CB 3.43Å; M30-R34 PolarHBondContact O-N 3.34Å; M30-Y123 HydrophobicContact CB-CE2 4.33Å; M30-Y123 HydrophobicContact SD-CD2 4.33Å; M30-Y123 HydrophobicContact SD-CE2 4.03Å; M30-E182 WeakPolarHBondContact CB-OE2 3.43Å; M30-E182 HydrophobicContact CE-CB 4.37Å; M30-E182 WeakPolarHBondContact CE-O 3.33Å; M30-E182 HydrophobicContact CG-CG 4.47Å; M30-E182 HydrophobicContact SD-CB 4.1Å; M30-E185 HydrophobicContact CE-CB 3.74Å; M30-E185 HydrophobicContact CE-CG 3.73Å; M30-E185 WeakPolarHBondContact CE-OE1 3.35Å; M30-L186 HydrophobicContact CE-CD2 3.76Å; M30-L186 HydrophobicContact CE-CG 3.77Å; M30-L186 HydrophobicContact SD-CD1 4.23Å; M30-L186 HydrophobicContact SD-CD2 3.6Å; M30-L186 HydrophobicContact SD-CG 3.69Å
31H89.3Confident87.9Confident87 Ų8737.1 Ų37.140%0.40319%0.187SC..Hα-helixtrans-57.2-45.9178.8177.976.9000113.4S29 K35S29-H31 PolarHBondContact O-N 3.03Å; S29-H31 VanDerWaalsContact O-N 3.09Å; H31-K35 PolarHBondContact CE1-NZ 3.43Å; H31-K35 VanDerWaalsContact NE2-CE 3.29Å; H31-K35 WeakPolarHBondContact NE2-CE 3.3Å; H31-K35 PolarHBondContact NE2-NZ 2.85Å; H31-K35 PolarHBondContact O-N 3.15Å
32Y91.4Very high88.3Confident85 Ų8540.4 Ų40.433%0.33321%0.207SC..Hα-helixtrans-78-38.7-178.3-71.8-72.5000111.7K27 S29 M30 R34 K35 M36 L63K27-Y32 HydrophobicContact CB-CD2 3.96Å; K27-Y32 HydrophobicContact CB-CE2 4.15Å; K27-Y32 HydrophobicContact CB-CG 4.39Å; K27-Y32 HydrophobicContact CG-CD2 4.19Å; K27-Y32 HydrophobicContact CG-CE2 3.85Å; K27-Y32 WeakPolarHBondContact O-CB 3.5Å; K27-Y32 WeakPolarHBondContact O-CD2 3.39Å; S29-Y32 PolarHBondContact O-N 3.39Å; S29-Y32 VanDerWaalsContact O-N 3.07Å; S29-Y32 VanDerWaalsContact OG-CD2 3.31Å; S29-Y32 WeakPolarHBondContact OG-CD2 3.44Å; M30-Y32 PolarHBondContact O-N 3.36Å; Y32-R34 VanDerWaalsContact C-N 3.32Å; Y32-R34 PolarHBondContact O-N 3.45Å; Y32-K35 PolarHBondContact O-N 2.86Å; Y32-M36 WeakPolarHBondContact O-CB 3.37Å; Y32-M36 PolarHBondContact O-N 2.85Å; Y32-L63 HydrophobicContact CD1-CD2 4.17Å; Y32-L63 HydrophobicContact CG-CD2 4.23Å
33L92.8Very high88.8Confident1 Ų144.7 Ų44.71%0.00522%0.219CC..Hα-helixtrans-64.9-37.5177.1-66177.8000111.6F28 S29 M30 M36 A37 L122 Y123 L186F28-L33 WeakPolarHBondContact O-CD1 3.26Å; S29-L33 PolarHBondContact O-N 2.96Å; M30-L33 PolarHBondContact O-N 2.93Å; L33-M36 PolarHBondContact O-N 3.27Å; L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 2.93Å; L33-L122 HydrophobicContact CD2-CB 3.92Å; L33-L122 HydrophobicContact CD2-CD1 4.06Å; L33-Y123 HydrophobicContact CD1-CD2 3.77Å; L33-Y123 HydrophobicContact CD1-CG 4.25Å; L33-L186 HydrophobicContact CB-CD2 3.85Å
34R90.8Very high88.9Confident57 Ų5749.5 Ų49.522%0.21524%0.243CC..Hα-helixtrans-61.1-47.7171.3-170.5-169.5-59.1131.60.9111.9M30 Y32 M36 A37 S38 E185 L193M30-R34 VanDerWaalsContact O-CB 3.27Å; M30-R34 WeakPolarHBondContact O-CB 3.43Å; M30-R34 PolarHBondContact O-N 3.34Å; Y32-R34 VanDerWaalsContact C-N 3.32Å; Y32-R34 PolarHBondContact O-N 3.45Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 3.32Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 3.03Å; R34-S38 PolarHBondContact O-N 2.92Å; R34-S38 PolarHBondContact O-OG 2.97Å; R34-E185 IonicContact CZ-OE1 2.85Å; R34-E185 IonicContact NE-OE1 2.65Å; R34-E185 PolarHBondContact NE-OE1 3.33Å; R34-E185 IonicContact NH2-OE1 3.21Å; R34-E185 PolarHBondContact NH2-OE1 3.08Å; R34-E185 IonicContact NH2-OE2 3.95Å; R34-L193 HydrophobicContact CG-CD1 4.37Å
35K90.5Very high88.9Confident122 Ų12252.8 Ų52.853%0.5328%0.279SS..Hα-helixtrans-59.3-41.5176-78.8178.6169.2173.80112H31 Y32 Y39H31-K35 PolarHBondContact CE1-NZ 3.43Å; H31-K35 VanDerWaalsContact NE2-CE 3.29Å; H31-K35 WeakPolarHBondContact NE2-CE 3.3Å; H31-K35 PolarHBondContact NE2-NZ 2.85Å; H31-K35 PolarHBondContact O-N 3.15Å; Y32-K35 PolarHBondContact O-N 2.86Å; K35-Y39 VanDerWaalsContact O-CB 3.23Å; K35-Y39 WeakPolarHBondContact O-CB 3.49Å; K35-Y39 PolarHBondContact O-N 3.31Å
36M92.4Very high88.9Confident8 Ų853 Ų534%0.03928%0.28CS..Hα-helixtrans-62.8-47.1174.7175.9-179.6166.200111.2Y32 L33 R34 S38 Y39 V40 L50 W55 I58 F118 L119 L122Y32-M36 WeakPolarHBondContact O-CB 3.37Å; Y32-M36 PolarHBondContact O-N 2.85Å; L33-M36 PolarHBondContact O-N 3.27Å; R34-M36 VanDerWaalsContact C-N 3.3Å; R34-M36 PolarHBondContact O-N 3.32Å; M36-S38 PolarHBondContact O-N 3Å; M36-Y39 PolarHBondContact O-N 2.88Å; M36-V40 HydrophobicContact CG-CG2 4.14Å; M36-V40 WeakPolarHBondContact O-CB 3.37Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 2.72Å; M36-L50 HydrophobicContact CE-CD2 3.71Å; M36-W55 HydrophobicContact CE-CE3 3.76Å; M36-W55 HydrophobicContact CE-CZ3 3.68Å; M36-W55 HydrophobicContact SD-CE3 4.32Å; M36-W55 HydrophobicContact SD-CZ3 3.73Å; M36-I58 HydrophobicContact CG-CD1 4.47Å; M36-I58 HydrophobicContact CG-CG2 4.21Å; M36-I58 HydrophobicContact SD-CG2 4.28Å; M36-F118 HydrophobicContact CE-CD1 4.16Å; M36-F118 HydrophobicContact CE-CE1 4.3Å; M36-L119 HydrophobicContact CB-CD2 4.42Å; M36-L119 HydrophobicContact CE-CD2 4.04Å; M36-L119 HydrophobicContact CG-CD2 4.04Å; M36-L119 HydrophobicContact SD-CD2 3.9Å; M36-L122 HydrophobicContact CE-CD1 4.09Å; M36-L122 HydrophobicContact SD-CD1 4.05Å
37A91.4Very high89.4Confident4 Ų452.9 Ų52.93%0.03327%0.272CS..Hα-helixtrans-58-48178.900000111.6L33 R34 R41 L119L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 2.93Å; R34-A37 WeakPolarHBondContact O-CB 3.37Å; R34-A37 PolarHBondContact O-N 3.03Å; A37-R41 WeakPolarHBondContact O-CB 3.42Å; A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 3.44Å; A37-R41 VanDerWaalsContact O-N 3.14Å; A37-L119 HydrophobicContact CB-CD1 3.62Å; A37-L119 HydrophobicContact CB-CD2 4.29Å
38S90.5Very high89.7Confident39 Ų3954.3 Ų54.327%0.27329%0.285SS..Hα-helixtrans-60.8-48.5174.8-56.70000111.6R34 M36 V40 R41 T42R34-S38 PolarHBondContact O-N 2.92Å; R34-S38 PolarHBondContact O-OG 2.97Å; M36-S38 PolarHBondContact O-N 3Å; S38-V40 PolarHBondContact O-N 2.85Å; S38-R41 PolarHBondContact O-N 3.37Å; S38-T42 VanDerWaalsContact O-CG2 3.29Å; S38-T42 WeakPolarHBondContact O-CG2 3.49Å; S38-T42 PolarHBondContact O-N 3.09Å; S38-T42 PolarHBondContact O-OG1 2.9Å
39Y91.3Very high90Very high81 Ų8160.6 Ų60.632%0.31831%0.309SS..Hα-helixtrans-59.5-49.3-177.5-178.9-108.5000112.8K35 M36 T42 R43 M54 I58K35-Y39 VanDerWaalsContact O-CB 3.23Å; K35-Y39 WeakPolarHBondContact O-CB 3.49Å; K35-Y39 PolarHBondContact O-N 3.31Å; M36-Y39 PolarHBondContact O-N 2.88Å; Y39-T42 PolarHBondContact O-N 3.47Å; Y39-T42 PolarHBondContact O-OG1 2.89Å; Y39-T42 VanDerWaalsContact O-OG1 3.09Å; Y39-R43 WeakPolarHBondContact O-CB 3.39Å; Y39-R43 PolarHBondContact O-N 3.32Å; Y39-R43 PolarHBondContact OH-NH1 2.83Å; Y39-M54 HydrophobicContact CE1-SD 4.14Å; Y39-I58 HydrophobicContact CD1-CD1 3.93Å; Y39-I58 HydrophobicContact CD1-CG1 4.17Å; Y39-I58 HydrophobicContact CE1-CD1 4.15Å; Y39-I58 HydrophobicContact CE1-CG1 4.08Å
40V92.2Very high90.3Very high1 Ų159.4 Ų59.41%0.00630%0.301CS..Hα-helixtrans-68.4-36.9-176.8176.10000111.5M36 S38 C46 L50 I58 T115M36-V40 HydrophobicContact CG-CG2 4.14Å; M36-V40 WeakPolarHBondContact O-CB 3.37Å; M36-V40 VanDerWaalsContact O-CG2 3.31Å; M36-V40 WeakPolarHBondContact O-CG2 3.35Å; M36-V40 PolarHBondContact O-N 2.72Å; S38-V40 PolarHBondContact O-N 2.85Å; V40-C46 HydrophobicContact CG1-CB 3.95Å; V40-C46 WeakPolarHBondContact CG1-O 3.39Å; V40-C46 WeakPolarHBondContact O-CB 3.45Å; V40-L50 HydrophobicContact CG1-CD1 3.97Å; V40-L50 HydrophobicContact CG2-CD1 4.09Å; V40-I58 HydrophobicContact CG2-CD1 3.53Å; V40-T115 HydrophobicContact CB-CG2 4.25Å; V40-T115 HydrophobicContact CG1-CG2 3.52Å
41R90.1Very high90.6Very high32 Ų3259.9 Ų59.912%0.12131%0.309CS..Hα-helixtrans-72.9-28.9177.8-71.5-178.5-170.5135.910.5113.8A37 S38 F47 L186 V188 P190A37-R41 WeakPolarHBondContact O-CB 3.42Å; A37-R41 VanDerWaalsContact O-CG 3.3Å; A37-R41 WeakPolarHBondContact O-CG 3.48Å; A37-R41 PolarHBondContact O-N 3.44Å; A37-R41 VanDerWaalsContact O-N 3.14Å; S38-R41 PolarHBondContact O-N 3.37Å; R41-F47 HydrophobicContact CG-CD2 3.67Å; R41-F47 HydrophobicContact CG-CE2 4.01Å; R41-F47 HydrophobicContact CG-CG 4.08Å; R41-L186 PolarHBondContact NH1-O 3.39Å; R41-L186 PolarHBondContact NH2-O 3.32Å; R41-V188 PolarHBondContact NH1-O 3.02Å; R41-P190 HydrophobicContact CB-CG 3.97Å
42T88.6Confident90.8Very high103 Ų10355.7 Ų55.763%0.63229%0.29SS*.Hα-helixtrans-86.2-11.8178.457.70000114.3S38 Y39S38-T42 VanDerWaalsContact O-CG2 3.29Å; S38-T42 WeakPolarHBondContact O-CG2 3.49Å; S38-T42 PolarHBondContact O-N 3.09Å; S38-T42 PolarHBondContact O-OG1 2.9Å; Y39-T42 PolarHBondContact O-N 3.47Å; Y39-T42 PolarHBondContact O-OG1 2.89Å; Y39-T42 VanDerWaalsContact O-OG1 3.09Å
43R89Confident90.9Very high106 Ų10657.4 Ų57.440%0.430%0.301SS..SBendtrans-98.7129.2-175.2-169.9172.3-176175.8-0.2110.8Y39 G45 C46Y39-R43 WeakPolarHBondContact O-CB 3.39Å; Y39-R43 PolarHBondContact O-N 3.32Å; Y39-R43 PolarHBondContact OH-NH1 2.83Å; R43-G45 PolarHBondContact O-N 3.14Å; R43-C46 HydrophobicContact CB-CB 4.29Å; R43-C46 WeakPolarHBondContact O-CB 3.4Å; R43-C46 PolarHBondContact O-N 3.37Å
44D83.7Confident91.1Very high157 Ų15758.8 Ų58.884%0.8431%0.308SS*.THydrogen-bonded Turntrans-56.5136.1-179.9-64.5-33.6000112.4C46D44-C46 PolarHBondContact O-N 2.67Å
45G83.4Confident91.3Very high81 Ų8156 Ų5684%0.83530%0.297SS*.THydrogen-bonded Turntrans71.86.1177.100000115.7R43R43-G45 PolarHBondContact O-N 3.14Å
46C86.6Confident91.5Very high10 Ų1054.2 Ų54.27%0.06829%0.287CS..  trans-104.6-9.5-178.9-58.90000113.7V40 R43 D44 R49 T115V40-C46 HydrophobicContact CG1-CB 3.95Å; V40-C46 WeakPolarHBondContact CG1-O 3.39Å; V40-C46 WeakPolarHBondContact O-CB 3.45Å; R43-C46 HydrophobicContact CB-CB 4.29Å; R43-C46 WeakPolarHBondContact O-CB 3.4Å; R43-C46 PolarHBondContact O-N 3.37Å; D44-C46 PolarHBondContact O-N 2.67Å; C46-R49 CarbonylContact C-O 3.59Å; C46-R49 CarbonylContact O-C 3.53Å; C46-R49 VanDerWaalsContact O-O 3.13Å; C46-T115 PolarHBondContact O-OG1 3.4Å
47F91.1Very high91.6Very high60 Ų6058.1 Ų58.126%0.26331%0.305SS..SBendtrans-132.5139.3177.2-176.9-95.8000109.3R41 T115 L116R41-F47 HydrophobicContact CG-CD2 3.67Å; R41-F47 HydrophobicContact CG-CE2 4.01Å; R41-F47 HydrophobicContact CG-CG 4.08Å; F47-T115 HydrophobicContact CD2-CG2 4.26Å; F47-L116 HydrophobicContact CE2-CD2 3.84Å; F47-L116 HydrophobicContact CE2-CG 4.03Å
48P92.4Very high91.8Very high66 Ų6658.2 Ų58.243%0.42931%0.305SS..SBendcis-80.2-10.66.231.7-35.3000114.9T115P48-T115 VanDerWaalsContact O-CB 3.28Å; P48-T115 WeakPolarHBondContact O-CB 3.43Å; P48-T115 PolarHBondContact O-N 2.92Å; P48-T115 PolarHBondContact O-OG1 3.26Å
49R94.4Very high92Very high133 Ų13356.4 Ų56.450%0.50229%0.292SS..EExtended strand (participates in β ladder)trans-105.9122.1-174.8-66.3-79.1-69.8-157.1-2111.8C46 S112 V113C46-R49 CarbonylContact C-O 3.59Å; C46-R49 CarbonylContact O-C 3.53Å; C46-R49 VanDerWaalsContact O-O 3.13Å; R49-S112 PolarHBondContact NE-OG 2.93Å; R49-S112 VanDerWaalsContact NE-OG 3.13Å; R49-S112 PolarHBondContact NH2-O 3.07Å; R49-S112 PolarHBondContact NH2-OG 3.05Å; R49-V113 CarbonylContact C-O 3.24Å; R49-V113 VanDerWaalsContact CA-O 3.31Å; R49-V113 WeakPolarHBondContact CA-O 3.5Å
50L95.1Very high92.1Very high0 Ų054.5 Ų54.50%029%0.29CS..EExtended strand (participates in β ladder)trans-93.1114.8176-179.368.4000110.4M36 V40 M54 W55 S112 V113 T115 F118M36-L50 HydrophobicContact CE-CD2 3.71Å; V40-L50 HydrophobicContact CG1-CD1 3.97Å; V40-L50 HydrophobicContact CG2-CD1 4.09Å; L50-M54 HydrophobicContact CD1-CB 3.73Å; L50-M54 HydrophobicContact CD1-CG 3.6Å; L50-W55 HydrophobicContact CD2-CB 4.08Å; L50-W55 HydrophobicContact CD2-CE3 4.46Å; L50-W55 HydrophobicContact CG-CB 4.32Å; L50-S112 CarbonylContact O-C 3.54Å; L50-S112 VanDerWaalsContact O-CA 3.25Å; L50-S112 WeakPolarHBondContact O-CA 3.27Å; L50-V113 HydrophobicContact CB-CG2 4.1Å; L50-V113 PolarHBondContact N-O 3.29Å; L50-V113 PolarHBondContact O-N 2.83Å; L50-T115 PolarHBondContact N-OG1 2.94Å; L50-F118 HydrophobicContact CD2-CD1 3.83Å; L50-F118 HydrophobicContact CD2-CE1 4.13Å
51G95.1Very high92.1Very high24 Ų2456.8 Ų56.825%0.24731%0.314CS..EExtended strand (participates in β ladder)trans-78.7155.4175.200000113.8Q53 M54 W55G51-Q53 VanDerWaalsContact C-N 3.29Å; G51-Q53 PolarHBondContact O-N 3.22Å; G51-M54 PolarHBondContact O-N 3.35Å; G51-M54 VanDerWaalsContact O-N 3.15Å; G51-W55 PolarHBondContact O-N 2.91Å
52W94.9Very high92.1Very high0 Ų061.8 Ų61.80%034%0.337CS..Hα-helixtrans-52.5-42.7178168.3-117.6000113.2M54 W55 R56 E67 A70 W71 F74 R108 L111W52-M54 VanDerWaalsContact C-N 3.32Å; W52-M54 PolarHBondContact O-N 3.2Å; W52-W55 AromaticContact CE3-CD1 3.64Å; W52-W55 AromaticContact CZ3-CD1 3.42Å; W52-W55 VanDerWaalsContact CZ3-CD1 3.42Å; W52-W55 AromaticContact CZ3-NE1 3.94Å; W52-W55 PolarHBondContact O-N 2.85Å; W52-R56 HydrophobicContact CD2-CB 4.47Å; W52-R56 HydrophobicContact CH2-CB 4.29Å; W52-R56 HydrophobicContact CZ2-CB 4.04Å; W52-R56 HydrophobicContact CZ2-CG 4.18Å; W52-R56 WeakPolarHBondContact O-CB 3.43Å; W52-R56 PolarHBondContact O-N 3.38Å; W52-E67 HydrophobicContact CZ2-CG 4.3Å; W52-A70 HydrophobicContact CH2-CB 4.15Å; W52-A70 HydrophobicContact CZ3-CB 4.42Å; W52-W71 AromaticContact CD2-CE3 3.69Å; W52-W71 HydrophobicContact CD2-CE3 3.69Å; W52-W71 AromaticContact CD2-CZ3 3.85Å; W52-W71 HydrophobicContact CD2-CZ3 3.85Å; W52-W71 AromaticContact CE2-CE3 3.76Å; W52-W71 AromaticContact CE3-CE3 3.61Å; W52-W71 HydrophobicContact CE3-CE3 3.61Å; W52-W71 AromaticContact CE3-CZ3 3.98Å; W52-W71 HydrophobicContact CE3-CZ3 3.98Å; W52-W71 HydrophobicContact CG-CE3 4.47Å; W52-W71 HydrophobicContact CG-CZ3 4.17Å; W52-W71 VanDerWaalsContact CH2-CA 3.46Å; W52-W71 HydrophobicContact CH2-CB 3.63Å; W52-W71 HydrophobicContact CH2-CD2 4.45Å; W52-W71 AromaticContact CH2-CE3 3.79Å; W52-W71 HydrophobicContact CH2-CE3 3.79Å; W52-W71 HydrophobicContact CH2-CG 4.45Å; W52-W71 HydrophobicContact CZ2-CB 4.24Å; W52-W71 AromaticContact CZ2-CE3 3.83Å; W52-W71 HydrophobicContact CZ2-CE3 3.83Å; W52-W71 HydrophobicContact CZ3-CB 4.14Å; W52-W71 AromaticContact CZ3-CE3 3.66Å; W52-W71 HydrophobicContact CZ3-CE3 3.66Å; W52-W71 HydrophobicContact CZ3-CZ3 4.48Å; W52-F74 HydrophobicContact CB-CE1 4.23Å; W52-F74 HydrophobicContact CB-CZ 4.12Å; W52-F74 HydrophobicContact CE3-CB 4.01Å; W52-F74 HydrophobicContact CE3-CD1 4.09Å; W52-F74 HydrophobicContact CE3-CD2 4.13Å; W52-F74 AromaticContact CE3-CG 3.81Å; W52-F74 HydrophobicContact CE3-CG 3.81Å; W52-F74 HydrophobicContact CZ3-CB 3.97Å; W52-F74 HydrophobicContact CZ3-CG 4.29Å; W52-R108 WeakPolarHBondContact CB-O 3.35Å; W52-R108 HydrophobicContact CG-CB 4.24Å; W52-L111 PolarHBondContact N-O 2.92Å; W52-L111 VanDerWaalsContact N-O 3.11Å
53Q93.6Very high92.2Very high120 Ų12057.2 Ų57.256%0.56131%0.308SS*.Hα-helixtrans-59.6-42.3-179.3-66.7-174.5-6.600112.6G51 H57 C109G51-Q53 VanDerWaalsContact C-N 3.29Å; G51-Q53 PolarHBondContact O-N 3.22Å; Q53-H57 WeakPolarHBondContact O-CB 3.36Å; Q53-H57 PolarHBondContact O-N 2.99Å; Q53-C109 HydrophobicContact CG-CB 4.09Å; Q53-C109 WeakPolarHBondContact CG-SG 3.47Å; Q53-C109 PolarHBondContact NE2-SG 3.35Å
54M94.9Very high92.3Very high30 Ų3059.2 Ų59.215%0.14832%0.322CS..Hα-helixtrans-71-43178.9-172.152.560.600110.8Y39 L50 G51 W52 R56 H57 I58Y39-M54 HydrophobicContact CE1-SD 4.14Å; L50-M54 HydrophobicContact CD1-CB 3.73Å; L50-M54 HydrophobicContact CD1-CG 3.6Å; G51-M54 PolarHBondContact O-N 3.35Å; G51-M54 VanDerWaalsContact O-N 3.15Å; W52-M54 VanDerWaalsContact C-N 3.32Å; W52-M54 PolarHBondContact O-N 3.2Å; M54-R56 PolarHBondContact O-N 3.04Å; M54-H57 WeakPolarHBondContact O-CB 3.45Å; M54-H57 PolarHBondContact O-N 3.16Å; M54-I58 HydrophobicContact CG-CD1 4.01Å; M54-I58 WeakPolarHBondContact O-CG1 3.5Å; M54-I58 PolarHBondContact O-N 2.76Å; M54-I58 HydrophobicContact SD-CD1 4.28Å; M54-I58 HydrophobicContact SD-CG1 4.45Å
55W95.9Very high92.7Very high0 Ų052.3 Ų52.30%029%0.285CS..Hα-helixtrans-59.5-47.1174.3171.6-124000111.6F28 M36 L50 G51 W52 H57 I58 A59 L63 A70 F74 F118 L122F28-W55 HydrophobicContact CE1-CH2 4.3Å; F28-W55 HydrophobicContact CZ-CH2 4.45Å; M36-W55 HydrophobicContact CE-CE3 3.76Å; M36-W55 HydrophobicContact CE-CZ3 3.68Å; M36-W55 HydrophobicContact SD-CE3 4.32Å; M36-W55 HydrophobicContact SD-CZ3 3.73Å; L50-W55 HydrophobicContact CD2-CB 4.08Å; L50-W55 HydrophobicContact CD2-CE3 4.46Å; L50-W55 HydrophobicContact CG-CB 4.32Å; G51-W55 PolarHBondContact O-N 2.91Å; W52-W55 AromaticContact CE3-CD1 3.64Å; W52-W55 AromaticContact CZ3-CD1 3.42Å; W52-W55 VanDerWaalsContact CZ3-CD1 3.42Å; W52-W55 AromaticContact CZ3-NE1 3.94Å; W52-W55 PolarHBondContact O-N 2.85Å; W55-H57 VanDerWaalsContact C-N 3.31Å; W55-H57 PolarHBondContact O-N 3.46Å; W55-I58 PolarHBondContact O-N 3.27Å; W55-I58 VanDerWaalsContact O-N 3.15Å; W55-A59 HydrophobicContact CD2-CB 4.03Å; W55-A59 HydrophobicContact CE3-CB 4.2Å; W55-A59 HydrophobicContact CH2-CB 4.07Å; W55-A59 HydrophobicContact CZ2-CB 3.86Å; W55-A59 HydrophobicContact CZ3-CB 4.22Å; W55-A59 WeakPolarHBondContact O-CB 3.42Å; W55-A59 PolarHBondContact O-N 2.89Å; W55-L63 HydrophobicContact CH2-CD1 4.1Å; W55-L63 HydrophobicContact CZ3-CD1 4.16Å; W55-A70 PolarHBondContact NE1-O 2.95Å; W55-F74 HydrophobicContact CB-CD2 4.19Å; W55-F74 HydrophobicContact CB-CE2 4.34Å; W55-F74 AromaticContact CD1-CD2 3.49Å; W55-F74 VanDerWaalsContact CD1-CD2 3.49Å; W55-F74 AromaticContact CD1-CG 3.99Å; W55-F74 AromaticContact CG-CD2 3.98Å; W55-F74 HydrophobicContact CG-CD2 3.98Å; W55-F118 AromaticContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CE1 3.64Å; W55-F118 AromaticContact CD2-CZ 4Å; W55-F118 HydrophobicContact CD2-CZ 4Å; W55-F118 AromaticContact CE2-CE1 3.83Å; W55-F118 AromaticContact CE2-CZ 3.71Å; W55-F118 AromaticContact CE3-CE1 3.71Å; W55-F118 HydrophobicContact CE3-CE1 3.71Å; W55-F118 HydrophobicContact CE3-CZ 4.43Å; W55-F118 HydrophobicContact CG-CE1 4.17Å; W55-F118 HydrophobicContact CG-CZ 4.42Å; W55-F118 HydrophobicContact CH2-CE1 4.12Å; W55-F118 HydrophobicContact CH2-CZ 4.35Å; W55-F118 HydrophobicContact CZ2-CE1 4.07Å; W55-F118 AromaticContact CZ2-CZ 3.91Å; W55-F118 HydrophobicContact CZ2-CZ 3.91Å; W55-F118 AromaticContact CZ3-CE1 3.95Å; W55-F118 HydrophobicContact CZ3-CE1 3.95Å; W55-F118 AromaticContact NE1-CZ 4Å; W55-L122 HydrophobicContact CH2-CD1 3.56Å; W55-L122 HydrophobicContact CH2-CD2 3.99Å; W55-L122 HydrophobicContact CH2-CG 4.44Å; W55-L122 HydrophobicContact CZ2-CD1 4.42Å; W55-L122 HydrophobicContact CZ2-CD2 4.18Å; W55-L122 HydrophobicContact CZ3-CD1 3.74Å
56R95.3Very high93Very high84 Ų8451.6 Ų51.632%0.31727%0.271SS..Hα-helixtrans-56.7-44.2175.3-175.5177.271.6175.23.2111.9W52 M54 I58 C60 E67W52-R56 HydrophobicContact CD2-CB 4.47Å; W52-R56 HydrophobicContact CH2-CB 4.29Å; W52-R56 HydrophobicContact CZ2-CB 4.04Å; W52-R56 HydrophobicContact CZ2-CG 4.18Å; W52-R56 WeakPolarHBondContact O-CB 3.43Å; W52-R56 PolarHBondContact O-N 3.38Å; M54-R56 PolarHBondContact O-N 3.04Å; R56-I58 PolarHBondContact O-N 3.49Å; R56-C60 VanDerWaalsContact O-CB 3.29Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-N 3.36Å; R56-C60 PolarHBondContact O-SG 3.3Å; R56-E67 WeakPolarHBondContact CD-OE1 3.49Å; R56-E67 IonicContact CZ-OE1 2.67Å; R56-E67 IonicContact NE-OE1 3.99Å; R56-E67 IonicContact NH1-OE1 3.27Å; R56-E67 PolarHBondContact NH1-OE1 2.96Å
57H94.2Very high93.3Very high90 Ų9054.7 Ų54.742%0.41728%0.284SS..Iπ-helixtrans-60-44.7176.717675.2000112.2Q53 M54 W55 G61Q53-H57 WeakPolarHBondContact O-CB 3.36Å; Q53-H57 PolarHBondContact O-N 2.99Å; M54-H57 WeakPolarHBondContact O-CB 3.45Å; M54-H57 PolarHBondContact O-N 3.16Å; W55-H57 VanDerWaalsContact C-N 3.31Å; W55-H57 PolarHBondContact O-N 3.46Å; H57-G61 VanDerWaalsContact O-CA 3.27Å; H57-G61 WeakPolarHBondContact O-CA 3.3Å; H57-G61 PolarHBondContact O-N 3.03Å
58I95Very high93.3Very high6 Ų655.3 Ų55.33%0.03129%0.29CS..Iπ-helixtrans-70.2-49.8179.3-64.3165.3000110.6M36 Y39 V40 M54 W55 R56 K62 L63M36-I58 HydrophobicContact CG-CD1 4.47Å; M36-I58 HydrophobicContact CG-CG2 4.21Å; M36-I58 HydrophobicContact SD-CG2 4.28Å; Y39-I58 HydrophobicContact CD1-CD1 3.93Å; Y39-I58 HydrophobicContact CD1-CG1 4.17Å; Y39-I58 HydrophobicContact CE1-CD1 4.15Å; Y39-I58 HydrophobicContact CE1-CG1 4.08Å; V40-I58 HydrophobicContact CG2-CD1 3.53Å; M54-I58 HydrophobicContact CG-CD1 4.01Å; M54-I58 WeakPolarHBondContact O-CG1 3.5Å; M54-I58 PolarHBondContact O-N 2.76Å; M54-I58 HydrophobicContact SD-CD1 4.28Å; M54-I58 HydrophobicContact SD-CG1 4.45Å; W55-I58 PolarHBondContact O-N 3.27Å; W55-I58 VanDerWaalsContact O-N 3.15Å; R56-I58 PolarHBondContact O-N 3.49Å; I58-K62 WeakPolarHBondContact O-CA 3.43Å; I58-K62 VanDerWaalsContact O-CB 3.3Å; I58-K62 WeakPolarHBondContact O-CB 3.46Å; I58-K62 PolarHBondContact O-N 3.47Å; I58-L63 HydrophobicContact CG2-CG 4.46Å; I58-L63 PolarHBondContact O-N 2.91Å
59A94.6Very high93.2Very high0 Ų053.8 Ų53.80%028%0.279CS..Iπ-helixtrans-63.4-53.2-176.300000111.8W55 L63 Q64 L65 A70W55-A59 HydrophobicContact CD2-CB 4.03Å; W55-A59 HydrophobicContact CE3-CB 4.2Å; W55-A59 HydrophobicContact CH2-CB 4.07Å; W55-A59 HydrophobicContact CZ2-CB 3.86Å; W55-A59 HydrophobicContact CZ3-CB 4.22Å; W55-A59 WeakPolarHBondContact O-CB 3.42Å; W55-A59 PolarHBondContact O-N 2.89Å; A59-L63 CarbonylContact O-C 3.59Å; A59-L63 VanDerWaalsContact O-C 3.24Å; A59-L63 WeakPolarHBondContact O-CA 3.47Å; A59-L63 WeakPolarHBondContact O-CB 3.49Å; A59-L63 PolarHBondContact O-N 3.04Å; A59-Q64 PolarHBondContact O-N 3.04Å; A59-L65 HydrophobicContact CB-CB 4.5Å; A59-L65 HydrophobicContact CB-CD1 4.18Å; A59-L65 PolarHBondContact O-N 3.06Å; A59-A70 HydrophobicContact CB-CB 3.55Å
60C94.3Very high93.2Very high42 Ų4247.5 Ų47.528%0.28426%0.255SS..Iπ-helixtrans-78.2-38.2-178.4-55.50000111.9R56 Q64 L65R56-C60 VanDerWaalsContact O-CB 3.29Å; R56-C60 WeakPolarHBondContact O-CB 3.33Å; R56-C60 PolarHBondContact O-N 3.36Å; R56-C60 PolarHBondContact O-SG 3.3Å; C60-Q64 VanDerWaalsContact O-CA 3.31Å; C60-Q64 WeakPolarHBondContact O-CA 3.38Å; C60-L65 WeakPolarHBondContact CA-O 3.48Å
61G92.2Very high93.2Very high48 Ų4848.5 Ų48.550%0.49526%0.259SS..Iπ-helixtrans-81.1-49.5-175.600000113.9H57H57-G61 VanDerWaalsContact O-CA 3.27Å; H57-G61 WeakPolarHBondContact O-CA 3.3Å; H57-G61 PolarHBondContact O-N 3.03Å
62K90.4Very high93.1Very high138 Ų13847.7 Ų47.760%0.625%0.249SC*.Iπ-helixtrans-95.3-44.9-174.2-55.6-61.1-176.4-177.90112.1I58 Q64I58-K62 WeakPolarHBondContact O-CA 3.43Å; I58-K62 VanDerWaalsContact O-CB 3.3Å; I58-K62 WeakPolarHBondContact O-CB 3.46Å; I58-K62 PolarHBondContact O-N 3.47Å; K62-Q64 VanDerWaalsContact C-N 3.34Å
63L91Very high93.1Very high7 Ų747.7 Ų47.74%0.03725%0.249CC..SBendtrans-83.5-13178.3-51.1179.4000111.9K27 F28 Y32 W55 I58 A59 L65K27-L63 HydrophobicContact CB-CD2 4.3Å; K27-L63 WeakPolarHBondContact CD-O 3.39Å; K27-L63 PolarHBondContact NZ-O 3.23Å; F28-L63 HydrophobicContact CD1-CD1 4.42Å; F28-L63 HydrophobicContact CE1-CD1 4.03Å; Y32-L63 HydrophobicContact CD1-CD2 4.17Å; Y32-L63 HydrophobicContact CG-CD2 4.23Å; W55-L63 HydrophobicContact CH2-CD1 4.1Å; W55-L63 HydrophobicContact CZ3-CD1 4.16Å; I58-L63 HydrophobicContact CG2-CG 4.46Å; I58-L63 PolarHBondContact O-N 2.91Å; A59-L63 CarbonylContact O-C 3.59Å; A59-L63 VanDerWaalsContact O-C 3.24Å; A59-L63 WeakPolarHBondContact O-CA 3.47Å; A59-L63 WeakPolarHBondContact O-CB 3.49Å; A59-L63 PolarHBondContact O-N 3.04Å; L63-L65 HydrophobicContact CB-CD1 4.3Å; L63-L65 HydrophobicContact CB-CG 3.93Å; L63-L65 HydrophobicContact CD1-CD1 4.39Å; L63-L65 PolarHBondContact O-N 2.85Å
64Q90.9Very high93.2Very high147 Ų14742 Ų4269%0.68722%0.222SC*.  trans53.735.4-178.1-53.4171.7-24.100112.9A59 C60 K62A59-Q64 PolarHBondContact O-N 3.04Å; C60-Q64 VanDerWaalsContact O-CA 3.31Å; C60-Q64 WeakPolarHBondContact O-CA 3.38Å; K62-Q64 VanDerWaalsContact C-N 3.34Å
65L90.8Very high93.1Very high13 Ų1342.4 Ų42.47%0.06822%0.223CC..  trans-76.7147.9170.6-57.6-179.4000109.6P25 F28 A59 C60 L63 L69P25-L65 HydrophobicContact CB-CD2 3.67Å; P25-L65 HydrophobicContact CG-CD2 3.81Å; F28-L65 HydrophobicContact CE1-CD1 3.74Å; F28-L65 HydrophobicContact CZ-CD1 3.92Å; A59-L65 HydrophobicContact CB-CB 4.5Å; A59-L65 HydrophobicContact CB-CD1 4.18Å; A59-L65 PolarHBondContact O-N 3.06Å; C60-L65 WeakPolarHBondContact CA-O 3.48Å; L63-L65 HydrophobicContact CB-CD1 4.3Å; L63-L65 HydrophobicContact CB-CG 3.93Å; L63-L65 HydrophobicContact CD1-CD1 4.39Å; L63-L65 PolarHBondContact O-N 2.85Å; L65-L69 HydrophobicContact CD2-CD2 4.18Å
66A91Very high93Very high65 Ų6542.4 Ų42.454%0.53722%0.224SC..  trans-60.9145.3165.900000110D68 L69 A70A66-D68 VanDerWaalsContact C-N 3.3Å; A66-D68 PolarHBondContact O-N 3.26Å; A66-L69 HydrophobicContact CB-CB 4.31Å; A66-L69 WeakPolarHBondContact O-CB 3.48Å; A66-L69 PolarHBondContact O-N 3.31Å; A66-A70 PolarHBondContact O-N 2.93Å
67E92.1Very high93Very high75 Ų7538.5 Ų38.535%0.3521%0.209SC..Hα-helixtrans-60.5-40.2-178-177165.5-173.600112.1W52 R56 L69 A70 W71W52-E67 HydrophobicContact CZ2-CG 4.3Å; R56-E67 WeakPolarHBondContact CD-OE1 3.49Å; R56-E67 IonicContact CZ-OE1 2.67Å; R56-E67 IonicContact NE-OE1 3.99Å; R56-E67 IonicContact NH1-OE1 3.27Å; R56-E67 PolarHBondContact NH1-OE1 2.96Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.33Å; E67-A70 PolarHBondContact O-N 2.87Å; E67-W71 WeakPolarHBondContact O-CB 3.4Å; E67-W71 PolarHBondContact O-N 3.07Å
68D90.8Very high92.8Very high73 Ų7335.2 Ų35.239%0.3920%0.195SC..Hα-helixtrans-58.4-39.7174.3-80.2-11.2000112.2A66 W71 L72 R405 L447A66-D68 VanDerWaalsContact C-N 3.3Å; A66-D68 PolarHBondContact O-N 3.26Å; D68-W71 PolarHBondContact O-N 3Å; D68-L72 WeakPolarHBondContact O-CB 3.45Å; D68-L72 PolarHBondContact O-N 3.48Å; D68-R405 IonicContact OD1-NH1 3.44Å; D68-R405 IonicContact OD2-CZ 3.41Å; D68-R405 IonicContact OD2-NH1 3.7Å; D68-R405 PolarHBondContact OD2-NH1 3.35Å; D68-L447 HydrophobicContact CB-CD1 3.87Å
69L91.2Very high92.6Very high35 Ų3535.8 Ų35.818%0.18320%0.197CC..Hα-helixtrans-72.7-40.1178.2-178.460000111.5P25 L65 A66 E67 W71 L72 Y73 F449P25-L69 HydrophobicContact CG-CD2 4.1Å; L65-L69 HydrophobicContact CD2-CD2 4.18Å; A66-L69 HydrophobicContact CB-CB 4.31Å; A66-L69 WeakPolarHBondContact O-CB 3.48Å; A66-L69 PolarHBondContact O-N 3.31Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.33Å; L69-W71 VanDerWaalsContact C-N 3.31Å; L69-W71 PolarHBondContact O-N 3.21Å; L69-L72 HydrophobicContact CD1-CD2 4.18Å; L69-L72 PolarHBondContact O-N 3.3Å; L69-Y73 HydrophobicContact CD1-CD2 4.1Å; L69-Y73 HydrophobicContact CD1-CE2 3.55Å; L69-Y73 HydrophobicContact CD2-CE2 4.45Å; L69-Y73 HydrophobicContact CG-CD2 4.18Å; L69-Y73 HydrophobicContact CG-CE2 3.82Å; L69-Y73 VanDerWaalsContact O-CD2 3.23Å; L69-Y73 WeakPolarHBondContact O-CD2 3.31Å; L69-Y73 PolarHBondContact O-N 2.92Å; L69-Y73 VanDerWaalsContact O-N 3.14Å; L69-F449 HydrophobicContact CD1-CD2 4.21Å; L69-F449 HydrophobicContact CD1-CE2 3.46Å; L69-F449 VanDerWaalsContact CD1-CE2 3.46Å; L69-F449 HydrophobicContact CD1-CZ 4.25Å
70A94Very high92.3Very high0 Ų036.5 Ų36.50%020%0.201CC..Hα-helixtrans-60.8-42.8173.700000111.1W52 W55 A59 A66 E67 F74W52-A70 HydrophobicContact CH2-CB 4.15Å; W52-A70 HydrophobicContact CZ3-CB 4.42Å; W55-A70 PolarHBondContact NE1-O 2.95Å; A59-A70 HydrophobicContact CB-CB 3.55Å; A66-A70 PolarHBondContact O-N 2.93Å; E67-A70 PolarHBondContact O-N 2.87Å; A70-F74 PolarHBondContact O-N 3.35Å
71W94.7Very high92.1Very high22 Ų2236.7 Ų36.78%0.08320%0.198CC..Hα-helixtrans-64.5-45.2175.3179.6-104.7000111.2W52 E67 D68 L69 Y73 F74 E75 R108 L111W52-W71 AromaticContact CD2-CE3 3.69Å; W52-W71 HydrophobicContact CD2-CE3 3.69Å; W52-W71 AromaticContact CD2-CZ3 3.85Å; W52-W71 HydrophobicContact CD2-CZ3 3.85Å; W52-W71 AromaticContact CE2-CE3 3.76Å; W52-W71 AromaticContact CE3-CE3 3.61Å; W52-W71 HydrophobicContact CE3-CE3 3.61Å; W52-W71 AromaticContact CE3-CZ3 3.98Å; W52-W71 HydrophobicContact CE3-CZ3 3.98Å; W52-W71 HydrophobicContact CG-CE3 4.47Å; W52-W71 HydrophobicContact CG-CZ3 4.17Å; W52-W71 VanDerWaalsContact CH2-CA 3.46Å; W52-W71 HydrophobicContact CH2-CB 3.63Å; W52-W71 HydrophobicContact CH2-CD2 4.45Å; W52-W71 AromaticContact CH2-CE3 3.79Å; W52-W71 HydrophobicContact CH2-CE3 3.79Å; W52-W71 HydrophobicContact CH2-CG 4.45Å; W52-W71 HydrophobicContact CZ2-CB 4.24Å; W52-W71 AromaticContact CZ2-CE3 3.83Å; W52-W71 HydrophobicContact CZ2-CE3 3.83Å; W52-W71 HydrophobicContact CZ3-CB 4.14Å; W52-W71 AromaticContact CZ3-CE3 3.66Å; W52-W71 HydrophobicContact CZ3-CE3 3.66Å; W52-W71 HydrophobicContact CZ3-CZ3 4.48Å; E67-W71 WeakPolarHBondContact O-CB 3.4Å; E67-W71 PolarHBondContact O-N 3.07Å; D68-W71 PolarHBondContact O-N 3Å; L69-W71 VanDerWaalsContact C-N 3.31Å; L69-W71 PolarHBondContact O-N 3.21Å; W71-Y73 VanDerWaalsContact C-N 3.32Å; W71-Y73 PolarHBondContact O-N 3.41Å; W71-F74 HydrophobicContact CE3-CD1 4.44Å; W71-F74 AromaticContact CZ3-CD1 3.99Å; W71-F74 HydrophobicContact CZ3-CD1 3.99Å; W71-F74 PolarHBondContact O-N 3.37Å; W71-F74 VanDerWaalsContact O-N 3.08Å; W71-E75 HydrophobicContact CZ2-CB 4.37Å; W71-E75 PolarHBondContact NE1-OE1 3.46Å; W71-E75 VanDerWaalsContact O-CB 3.3Å; W71-E75 WeakPolarHBondContact O-CB 3.36Å; W71-E75 PolarHBondContact O-N 2.72Å; W71-R108 HydrophobicContact CE3-CB 4.45Å; W71-R108 HydrophobicContact CE3-CG 4.14Å; W71-R108 HydrophobicContact CH2-CB 3.85Å; W71-R108 HydrophobicContact CH2-CG 3.36Å; W71-R108 HydrophobicContact CZ2-CG 3.88Å; W71-R108 HydrophobicContact CZ3-CB 3.65Å; W71-R108 HydrophobicContact CZ3-CG 3.52Å; W71-L111 HydrophobicContact CH2-CD1 3.56Å; W71-L111 HydrophobicContact CZ3-CD1 4.19Å
72L93.8Very high91.7Very high6 Ų640 Ų403%0.03121%0.212CC..Hα-helixtrans-53.2-48.2177.5176.364.6000111.6L20 D68 L69 F74 T76 L407 L447 F449L20-L72 HydrophobicContact CD1-CD2 3.66Å; L20-L72 HydrophobicContact CD1-CG 4.13Å; D68-L72 WeakPolarHBondContact O-CB 3.45Å; D68-L72 PolarHBondContact O-N 3.48Å; L69-L72 HydrophobicContact CD1-CD2 4.18Å; L69-L72 PolarHBondContact O-N 3.3Å; L72-F74 PolarHBondContact O-N 2.92Å; L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.82Å; L72-T76 PolarHBondContact O-OG1 2.74Å; L72-L407 HydrophobicContact CD2-CD1 3.79Å; L72-L407 HydrophobicContact CD2-CD2 4.19Å; L72-L447 HydrophobicContact CD2-CD2 4.17Å; L72-F449 HydrophobicContact CD2-CD2 4.01Å; L72-F449 HydrophobicContact CD2-CE2 4.04Å
73Y94.4Very high91.6Very high1 Ų136.6 Ų36.60%0.00420%0.195CC..Hα-helixtrans-64.5-40.3178.2-77.4-63000112.8L20 P25 F28 L69 W71 T76 F77 F121 L122 Q125L20-Y73 HydrophobicContact CD1-CD1 4.25Å; L20-Y73 HydrophobicContact CD1-CE1 3.6Å; L20-Y73 HydrophobicContact CG-CE1 4.19Å; P25-Y73 WeakPolarHBondContact CD-OH 3.44Å; P25-Y73 HydrophobicContact CG-CE2 4.04Å; F28-Y73 HydrophobicContact CE2-CD1 4.18Å; F28-Y73 AromaticContact CE2-CD2 3.9Å; F28-Y73 HydrophobicContact CE2-CD2 3.9Å; F28-Y73 AromaticContact CE2-CE1 3.87Å; F28-Y73 HydrophobicContact CE2-CE1 3.87Å; F28-Y73 AromaticContact CE2-CE2 3.53Å; F28-Y73 HydrophobicContact CE2-CE2 3.53Å; F28-Y73 HydrophobicContact CE2-CG 4.21Å; F28-Y73 AromaticContact CE2-CZ 3.53Å; F28-Y73 AromaticContact CZ-CD2 3.73Å; F28-Y73 HydrophobicContact CZ-CD2 3.73Å; F28-Y73 AromaticContact CZ-CE2 3.68Å; F28-Y73 HydrophobicContact CZ-CE2 3.68Å; F28-Y73 HydrophobicContact CZ-CG 4.23Å; L69-Y73 HydrophobicContact CD1-CD2 4.1Å; L69-Y73 HydrophobicContact CD1-CE2 3.55Å; L69-Y73 HydrophobicContact CD2-CE2 4.45Å; L69-Y73 HydrophobicContact CG-CD2 4.18Å; L69-Y73 HydrophobicContact CG-CE2 3.82Å; L69-Y73 VanDerWaalsContact O-CD2 3.23Å; L69-Y73 WeakPolarHBondContact O-CD2 3.31Å; L69-Y73 PolarHBondContact O-N 2.92Å; L69-Y73 VanDerWaalsContact O-N 3.14Å; W71-Y73 VanDerWaalsContact C-N 3.32Å; W71-Y73 PolarHBondContact O-N 3.41Å; Y73-T76 PolarHBondContact O-N 3.36Å; Y73-F77 PolarHBondContact O-N 2.86Å; Y73-F121 HydrophobicContact CD1-CE1 4.03Å; Y73-F121 HydrophobicContact CD1-CZ 4.24Å; Y73-F121 VanDerWaalsContact O-CE1 3.32Å; Y73-F121 WeakPolarHBondContact O-CE1 3.45Å; Y73-L122 HydrophobicContact CG-CD2 4.37Å; Y73-Q125 HydrophobicContact CD1-CG 4.3Å; Y73-Q125 HydrophobicContact CE1-CG 3.75Å
74F95.1Very high91.7Very high0 Ų038.5 Ų38.50%021%0.209CC..Hα-helixtrans-66.2-46.4179.1-165.6-90.2000111.7W52 W55 A70 W71 L72 F77 D78 L111 V113 F118W52-F74 HydrophobicContact CB-CE1 4.23Å; W52-F74 HydrophobicContact CB-CZ 4.12Å; W52-F74 HydrophobicContact CE3-CB 4.01Å; W52-F74 HydrophobicContact CE3-CD1 4.09Å; W52-F74 HydrophobicContact CE3-CD2 4.13Å; W52-F74 AromaticContact CE3-CG 3.81Å; W52-F74 HydrophobicContact CE3-CG 3.81Å; W52-F74 HydrophobicContact CZ3-CB 3.97Å; W52-F74 HydrophobicContact CZ3-CG 4.29Å; W55-F74 HydrophobicContact CB-CD2 4.19Å; W55-F74 HydrophobicContact CB-CE2 4.34Å; W55-F74 AromaticContact CD1-CD2 3.49Å; W55-F74 VanDerWaalsContact CD1-CD2 3.49Å; W55-F74 AromaticContact CD1-CG 3.99Å; W55-F74 AromaticContact CG-CD2 3.98Å; W55-F74 HydrophobicContact CG-CD2 3.98Å; A70-F74 PolarHBondContact O-N 3.35Å; W71-F74 HydrophobicContact CE3-CD1 4.44Å; W71-F74 AromaticContact CZ3-CD1 3.99Å; W71-F74 HydrophobicContact CZ3-CD1 3.99Å; W71-F74 PolarHBondContact O-N 3.37Å; W71-F74 VanDerWaalsContact O-N 3.08Å; L72-F74 PolarHBondContact O-N 2.92Å; F74-F77 PolarHBondContact O-N 2.92Å; F74-D78 PolarHBondContact O-N 3.4Å; F74-L111 HydrophobicContact CE1-CB 3.64Å; F74-L111 HydrophobicContact CE1-CD1 4.16Å; F74-L111 HydrophobicContact CZ-CB 4.14Å; F74-V113 HydrophobicContact CD2-CG1 4.33Å; F74-V113 HydrophobicContact CD2-CG2 4.42Å; F74-V113 HydrophobicContact CE1-CG1 4.2Å; F74-V113 HydrophobicContact CE2-CB 4.39Å; F74-V113 HydrophobicContact CE2-CG1 3.76Å; F74-V113 HydrophobicContact CE2-CG2 3.78Å; F74-V113 HydrophobicContact CZ-CG1 3.69Å; F74-V113 HydrophobicContact CZ-CG2 4.4Å; F74-F118 HydrophobicContact CD2-CZ 4.26Å
75E93.1Very high91.8Very high38 Ų3832.5 Ų32.518%0.17818%0.184CC..Hα-helixtrans-66.3-37.5176-172.9-167.4-97.500111.9W71 F77 D78 L79 R387 T404W71-E75 HydrophobicContact CZ2-CB 4.37Å; W71-E75 PolarHBondContact NE1-OE1 3.46Å; W71-E75 VanDerWaalsContact O-CB 3.3Å; W71-E75 WeakPolarHBondContact O-CB 3.36Å; W71-E75 PolarHBondContact O-N 2.72Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.1Å; E75-D78 PolarHBondContact O-N 2.79Å; E75-L79 WeakPolarHBondContact O-CB 3.33Å; E75-L79 PolarHBondContact O-N 3.33Å; E75-R387 IonicContact OE2-CZ 3.98Å; E75-R387 IonicContact OE2-NE 3.84Å; E75-R387 IonicContact OE2-NH2 3.51Å; E75-R387 PolarHBondContact OE2-NH2 3.29Å; E75-T404 HydrophobicContact CG-CG2 4.24Å; E75-T404 VanDerWaalsContact OE2-CG2 3.32Å; E75-T404 WeakPolarHBondContact OE2-CG2 3.27Å
76T94Very high92Very high1 Ų137.4 Ų37.41%0.00621%0.207CC..Hα-helixtrans-60.5-45.5173.8-57.70000111.3G18 L20 L72 Y73 L79 L80 F121 R387G18-T76 WeakPolarHBondContact O-CG2 3.43Å; L20-T76 HydrophobicContact CD2-CG2 4.49Å; L72-T76 VanDerWaalsContact O-CB 3.24Å; L72-T76 WeakPolarHBondContact O-CB 3.4Å; L72-T76 PolarHBondContact O-N 2.82Å; L72-T76 PolarHBondContact O-OG1 2.74Å; Y73-T76 PolarHBondContact O-N 3.36Å; T76-L79 WeakPolarHBondContact O-CB 3.47Å; T76-L79 PolarHBondContact O-N 3.4Å; T76-L80 WeakPolarHBondContact O-CG 3.35Å; T76-L80 PolarHBondContact O-N 2.95Å; T76-F121 HydrophobicContact CG2-CE2 3.91Å; T76-F121 HydrophobicContact CG2-CZ 3.66Å; T76-R387 VanDerWaalsContact CA-NH1 3.33Å; T76-R387 VanDerWaalsContact CB-NH1 3.27Å; T76-R387 VanDerWaalsContact CG2-NH1 3.34Å; T76-R387 VanDerWaalsContact N-NH2 3.18Å; T76-R387 VanDerWaalsContact OG1-CZ 3.31Å; T76-R387 PolarHBondContact OG1-NH1 3.3Å; T76-R387 PolarHBondContact OG1-NH2 3.11Å
77F94.9Very high92.2Very high1 Ų138.9 Ų38.90%0.00420%0.203CC..Hα-helixtrans-64.3-43.9177.5-178.1-97.1000111.3Y73 F74 E75 L79 L80 M81 V113 Q117 F118 F121 L215Y73-F77 PolarHBondContact O-N 2.86Å; F74-F77 PolarHBondContact O-N 2.92Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.1Å; F77-L79 VanDerWaalsContact C-N 3.25Å; F77-L79 PolarHBondContact O-N 2.72Å; F77-L80 WeakPolarHBondContact O-CB 3.21Å; F77-L80 PolarHBondContact O-N 3.16Å; F77-L80 VanDerWaalsContact O-N 3.11Å; F77-M81 HydrophobicContact CD1-CG 4.21Å; F77-M81 HydrophobicContact CD1-SD 4.45Å; F77-M81 HydrophobicContact CE1-CG 3.83Å; F77-M81 HydrophobicContact CE1-SD 3.71Å; F77-M81 HydrophobicContact CE2-SD 4.11Å; F77-M81 HydrophobicContact CZ-CG 4.28Å; F77-M81 HydrophobicContact CZ-SD 3.52Å; F77-M81 VanDerWaalsContact CZ-SD 3.52Å; F77-M81 WeakPolarHBondContact O-CG 3.48Å; F77-M81 PolarHBondContact O-N 2.92Å; F77-V113 HydrophobicContact CD1-CB 3.79Å; F77-V113 HydrophobicContact CD1-CG1 3.53Å; F77-V113 HydrophobicContact CE1-CB 3.67Å; F77-V113 HydrophobicContact CE1-CG1 3.88Å; F77-Q117 HydrophobicContact CE2-CB 4.04Å; F77-Q117 HydrophobicContact CZ-CB 3.64Å; F77-F118 HydrophobicContact CB-CD2 3.79Å; F77-F118 HydrophobicContact CB-CE2 3.87Å; F77-F118 AromaticContact CD1-CD2 3.96Å; F77-F118 HydrophobicContact CD1-CD2 3.96Å; F77-F118 HydrophobicContact CD2-CD2 4.01Å; F77-F118 AromaticContact CG-CD2 3.63Å; F77-F118 HydrophobicContact CG-CD2 3.63Å; F77-F118 HydrophobicContact CG-CE2 4.23Å; F77-F118 HydrophobicContact CZ-CB 4.5Å; F77-F121 HydrophobicContact CB-CD1 3.96Å; F77-F121 HydrophobicContact CB-CE1 3.98Å; F77-F121 HydrophobicContact CB-CG 4.29Å; F77-F121 HydrophobicContact CB-CZ 4.31Å; F77-F121 HydrophobicContact CD2-CB 3.54Å; F77-F121 AromaticContact CD2-CD1 3.94Å; F77-F121 HydrophobicContact CD2-CD1 3.94Å; F77-F121 AromaticContact CD2-CD2 3.97Å; F77-F121 HydrophobicContact CD2-CD2 3.97Å; F77-F121 AromaticContact CD2-CG 3.54Å; F77-F121 HydrophobicContact CD2-CG 3.54Å; F77-F121 HydrophobicContact CE2-CB 3.89Å; F77-F121 HydrophobicContact CE2-CG 4.37Å; F77-F121 HydrophobicContact CG-CD1 4.34Å; F77-F121 HydrophobicContact CG-CG 4.35Å; F77-L215 HydrophobicContact CE2-CD1 4.25Å; F77-L215 HydrophobicContact CE2-CD2 3.98Å
78D91.4Very high92.2Very high22 Ų2236.9 Ų36.912%0.11819%0.192CC..Hα-helixtrans-59.4-36.6177.5-167.259.1000112.8F74 E75 L80 M81 R83F74-D78 PolarHBondContact O-N 3.4Å; E75-D78 PolarHBondContact O-N 2.79Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 2.93Å; D78-M81 PolarHBondContact O-N 3.27Å; D78-M81 VanDerWaalsContact O-N 3.13Å; D78-R83 VanDerWaalsContact CG-NH2 3.29Å; D78-R83 IonicContact OD1-CZ 2.68Å; D78-R83 IonicContact OD1-NE 3.96Å; D78-R83 PolarHBondContact OD1-NE 3.18Å; D78-R83 IonicContact OD1-NH2 3.89Å; D78-R83 PolarHBondContact OD1-NH2 2.98Å; D78-R83 IonicContact OD2-CZ 3.84Å; D78-R83 IonicContact OD2-NE 3.62Å; D78-R83 PolarHBondContact OD2-NE 3.35Å; D78-R83 IonicContact OD2-NH1 2.63Å; D78-R83 IonicContact OD2-NH2 2.97Å; D78-R83 PolarHBondContact OD2-NH2 2.92Å
79L89.3Confident92.5Very high17 Ų1736 Ų369%0.08919%0.187CC..Hα-helixtrans-61.8-33.4177.1-170.272.2000113V17 E75 T76 F77 M81 R88 R387V17-L79 HydrophobicContact CG1-CD2 4.23Å; E75-L79 WeakPolarHBondContact O-CB 3.33Å; E75-L79 PolarHBondContact O-N 3.33Å; T76-L79 WeakPolarHBondContact O-CB 3.47Å; T76-L79 PolarHBondContact O-N 3.4Å; F77-L79 VanDerWaalsContact C-N 3.25Å; F77-L79 PolarHBondContact O-N 2.72Å; L79-M81 VanDerWaalsContact C-N 3.33Å; L79-R88 PolarHBondContact O-NH2 3.16Å; L79-R387 HydrophobicContact CD2-CB 4.26Å
80L89.7Confident92.6Very high15 Ų1540.3 Ų40.38%0.07921%0.206CC..Hα-helixtrans-76.2-20.4177.7-61.2170.8000113E13 V17 T76 F77 D78 F121E13-L80 HydrophobicContact CG-CD2 4.11Å; V17-L80 HydrophobicContact CB-CD2 3.76Å; V17-L80 HydrophobicContact CG1-CD2 3.85Å; T76-L80 WeakPolarHBondContact O-CG 3.35Å; T76-L80 PolarHBondContact O-N 2.95Å; F77-L80 WeakPolarHBondContact O-CB 3.21Å; F77-L80 PolarHBondContact O-N 3.16Å; F77-L80 VanDerWaalsContact O-N 3.11Å; D78-L80 VanDerWaalsContact C-N 3.27Å; D78-L80 PolarHBondContact O-N 2.93Å; L80-F121 HydrophobicContact CD1-CD2 3.92Å; L80-F121 HydrophobicContact CD1-CE2 3.89Å
81M89.9Confident92.6Very high46 Ų4642.9 Ų42.923%0.22722%0.216CC..SBendtrans-77.2144-176.7-62.8-44.8-45.500111F77 D78 L79 R83 R88F77-M81 HydrophobicContact CD1-CG 4.21Å; F77-M81 HydrophobicContact CD1-SD 4.45Å; F77-M81 HydrophobicContact CE1-CG 3.83Å; F77-M81 HydrophobicContact CE1-SD 3.71Å; F77-M81 HydrophobicContact CE2-SD 4.11Å; F77-M81 HydrophobicContact CZ-CG 4.28Å; F77-M81 HydrophobicContact CZ-SD 3.52Å; F77-M81 VanDerWaalsContact CZ-SD 3.52Å; F77-M81 WeakPolarHBondContact O-CG 3.48Å; F77-M81 PolarHBondContact O-N 2.92Å; D78-M81 PolarHBondContact O-N 3.27Å; D78-M81 VanDerWaalsContact O-N 3.13Å; L79-M81 VanDerWaalsContact C-N 3.33Å; M81-R83 PolarHBondContact O-N 2.89Å; M81-R88 PolarHBondContact O-NH2 3.2Å
82P83.8Confident92.6Very high119 Ų11942.2 Ų42.277%0.77322%0.215SC*.  trans-68.2105177.629-31.5000108.4
83R87.9Confident92.6Very high65 Ų6547.3 Ų47.325%0.24524%0.239CC..  trans-117.2139.3168.6-68.2-173.8174.9-134.2-0.2108D78 M81 Q87 R88 L111D78-R83 VanDerWaalsContact CG-NH2 3.29Å; D78-R83 IonicContact OD1-CZ 2.68Å; D78-R83 IonicContact OD1-NE 3.96Å; D78-R83 PolarHBondContact OD1-NE 3.18Å; D78-R83 IonicContact OD1-NH2 3.89Å; D78-R83 PolarHBondContact OD1-NH2 2.98Å; D78-R83 IonicContact OD2-CZ 3.84Å; D78-R83 IonicContact OD2-NE 3.62Å; D78-R83 PolarHBondContact OD2-NE 3.35Å; D78-R83 IonicContact OD2-NH1 2.63Å; D78-R83 IonicContact OD2-NH2 2.97Å; D78-R83 PolarHBondContact OD2-NH2 2.92Å; M81-R83 PolarHBondContact O-N 2.89Å; R83-Q87 HydrophobicContact CB-CB 4.49Å; R83-R88 HydrophobicContact CB-CG 4.04Å; R83-L111 VanDerWaalsContact NH2-CD2 3.26Å
84S92.5Very high92.6Very high48 Ų4848.3 Ų48.334%0.33625%0.247SC..  trans-66.2161.7174.285.60000110.3E86 Q87 R88S84-E86 WeakPolarHBondContact CB-OE2 3.21Å; S84-E86 PolarHBondContact O-N 2.9Å; S84-E86 PolarHBondContact OG-OE2 3.01Å; S84-Q87 PolarHBondContact O-N 3.3Å; S84-Q87 WeakPolarHBondContact OG-CG 3.3Å; S84-Q87 PolarHBondContact OG-N 2.96Å; S84-R88 PolarHBondContact O-N 2.93Å
85A93.1Very high92.5Very high20 Ų2049.8 Ų49.817%0.16526%0.255CS..Hα-helixtrans-61.8-39.917800000110.8Q87 R88 L89 A432A85-Q87 PolarHBondContact O-N 3.5Å; A85-R88 PolarHBondContact O-N 3.35Å; A85-R88 VanDerWaalsContact O-N 3.14Å; A85-L89 WeakPolarHBondContact O-CG 3.44Å; A85-L89 PolarHBondContact O-N 3.25Å; A85-A432 WeakPolarHBondContact CB-O 3.46Å
86E95.6Very high92.3Very high116 Ų11650.1 Ų50.154%0.54226%0.261SS..Hα-helixtrans-59.4-48.1178.2-53.776.2-163.300111S84 R88 L89 E90S84-E86 WeakPolarHBondContact CB-OE2 3.21Å; S84-E86 PolarHBondContact O-N 2.9Å; S84-E86 PolarHBondContact OG-OE2 3.01Å; E86-R88 PolarHBondContact O-N 3.31Å; E86-L89 PolarHBondContact O-N 3.47Å; E86-L89 VanDerWaalsContact O-N 3.1Å; E86-E90 WeakPolarHBondContact O-CG 3.28Å; E86-E90 PolarHBondContact O-N 2.81Å
87Q94.4Very high92.2Very high97 Ų9755.7 Ų55.745%0.45329%0.287SS..Hα-helixtrans-61.2-32.2177.9-70.5175.8-34.400113.1R83 S84 A85 W91R83-Q87 HydrophobicContact CB-CB 4.49Å; S84-Q87 PolarHBondContact O-N 3.3Å; S84-Q87 WeakPolarHBondContact OG-CG 3.3Å; S84-Q87 PolarHBondContact OG-N 2.96Å; A85-Q87 PolarHBondContact O-N 3.5Å; Q87-W91 WeakPolarHBondContact O-CB 3.35Å; Q87-W91 PolarHBondContact O-N 3.14Å
88R93.6Very high92Very high33 Ų3356.7 Ų56.713%0.12529%0.294CS..Hα-helixtrans-74.5-38176.4-68.2175.9179-108.3-5.3111.2L79 M81 R83 S84 A85 E86 W91 A92 G435L79-R88 PolarHBondContact O-NH2 3.16Å; M81-R88 PolarHBondContact O-NH2 3.2Å; R83-R88 HydrophobicContact CB-CG 4.04Å; S84-R88 PolarHBondContact O-N 2.93Å; A85-R88 PolarHBondContact O-N 3.35Å; A85-R88 VanDerWaalsContact O-N 3.14Å; E86-R88 PolarHBondContact O-N 3.31Å; R88-W91 PolarHBondContact O-N 2.93Å; R88-A92 WeakPolarHBondContact O-CB 3.44Å; R88-A92 PolarHBondContact O-N 3.31Å; R88-G435 VanDerWaalsContact CB-O 3.3Å; R88-G435 WeakPolarHBondContact CB-O 3.3Å
89L95.4Very high91.9Very high54 Ų5463.5 Ų63.528%0.28333%0.325SS..Hα-helixtrans-68.2-45.5175.7-66.4172.3000111.8A85 E86 W91 A92 E93 A437A85-L89 WeakPolarHBondContact O-CG 3.44Å; A85-L89 PolarHBondContact O-N 3.25Å; E86-L89 PolarHBondContact O-N 3.47Å; E86-L89 VanDerWaalsContact O-N 3.1Å; L89-W91 VanDerWaalsContact C-N 3.26Å; L89-W91 PolarHBondContact O-N 2.88Å; L89-A92 WeakPolarHBondContact O-CB 3.25Å; L89-A92 PolarHBondContact O-N 3.3Å; L89-A92 VanDerWaalsContact O-N 3.09Å; L89-E93 PolarHBondContact O-N 2.73Å; L89-A437 HydrophobicContact CD2-CB 3.93Å
90E95.1Very high92.1Very high126 Ų12666 Ų6659%0.58934%0.341SS*.Hα-helixtrans-57.2-41173.4-73.3174.5-175.500111.5E86 A94E86-E90 WeakPolarHBondContact O-CG 3.28Å; E86-E90 PolarHBondContact O-N 2.81Å; E90-A94 WeakPolarHBondContact O-CB 3.48Å; E90-A94 PolarHBondContact O-N 2.85Å
91W93.4Very high91.9Very high53 Ų5370.6 Ų70.620%0.20136%0.362CS..Hα-helixtrans-65.2-43.5175.2177.2-105.9000112Q87 R88 L89 A94 L95 Q107 L111Q87-W91 WeakPolarHBondContact O-CB 3.35Å; Q87-W91 PolarHBondContact O-N 3.14Å; R88-W91 PolarHBondContact O-N 2.93Å; L89-W91 VanDerWaalsContact C-N 3.26Å; L89-W91 PolarHBondContact O-N 2.88Å; W91-A94 PolarHBondContact O-N 3.25Å; W91-L95 HydrophobicContact CD2-CG 4.42Å; W91-L95 HydrophobicContact CH2-CD2 4.36Å; W91-L95 HydrophobicContact CZ2-CD1 4.05Å; W91-L95 HydrophobicContact CZ2-CD2 3.91Å; W91-L95 HydrophobicContact CZ2-CG 4.12Å; W91-L95 VanDerWaalsContact NE1-CD1 3.29Å; W91-L95 WeakPolarHBondContact O-CG 3.41Å; W91-L95 PolarHBondContact O-N 2.79Å; W91-Q107 HydrophobicContact CH2-CB 3.93Å; W91-Q107 WeakPolarHBondContact CH2-O 3.23Å; W91-Q107 HydrophobicContact CZ3-CB 4.17Å; W91-L111 HydrophobicContact CE3-CD2 4.36Å; W91-L111 HydrophobicContact CH2-CD1 3.66Å; W91-L111 HydrophobicContact CH2-CD2 4.02Å; W91-L111 HydrophobicContact CH2-CG 3.71Å; W91-L111 HydrophobicContact CZ2-CD1 3.69Å; W91-L111 HydrophobicContact CZ2-CD2 4.4Å; W91-L111 HydrophobicContact CZ2-CG 4.21Å; W91-L111 HydrophobicContact CZ3-CD1 4.45Å; W91-L111 HydrophobicContact CZ3-CD2 4Å; W91-L111 HydrophobicContact CZ3-CG 4.09Å
92A93.8Very high91.9Very high8 Ų876.9 Ų76.97%0.06639%0.388CS..Hα-helixtrans-63.5-40.9177.200000111.9R88 L89 L95 S96 A437 P440R88-A92 WeakPolarHBondContact O-CB 3.44Å; R88-A92 PolarHBondContact O-N 3.31Å; L89-A92 WeakPolarHBondContact O-CB 3.25Å; L89-A92 PolarHBondContact O-N 3.3Å; L89-A92 VanDerWaalsContact O-N 3.09Å; A92-L95 PolarHBondContact O-N 2.91Å; A92-S96 PolarHBondContact O-N 2.87Å; A92-A437 HydrophobicContact CB-CB 3.68Å; A92-P440 WeakPolarHBondContact O-CD 3.24Å
93E94.3Very high92.4Very high114 Ų11474.2 Ų74.253%0.53337%0.366SS..Hα-helixtrans-62-45.7173.5-173.7-178.4-177.700111.7L89 L95 S96 Q97L89-E93 PolarHBondContact O-N 2.73Å; E93-L95 PolarHBondContact O-N 2.96Å; E93-S96 PolarHBondContact O-N 2.96Å; E93-S96 PolarHBondContact O-OG 3.06Å; E93-Q97 WeakPolarHBondContact O-CG 3.4Å; E93-Q97 PolarHBondContact O-N 2.83Å
94A93.9Very high92.4Very high22 Ų2273.3 Ų73.318%0.18237%0.365CS..Hα-helixtrans-62.1-32.6176.700000112.7E90 W91 C98E90-A94 WeakPolarHBondContact O-CB 3.48Å; E90-A94 PolarHBondContact O-N 2.85Å; W91-A94 PolarHBondContact O-N 3.25Å; A94-C98 PolarHBondContact O-SG 3.09Å
95L92.6Very high92.3Very high30 Ų3072.6 Ų72.616%0.15736%0.358CS..Hα-helixtrans-76.9-35.2175.1-71.2-175.9000112.8W91 A92 E93 Q97 C98 L104 Q107 P440W91-L95 HydrophobicContact CD2-CG 4.42Å; W91-L95 HydrophobicContact CH2-CD2 4.36Å; W91-L95 HydrophobicContact CZ2-CD1 4.05Å; W91-L95 HydrophobicContact CZ2-CD2 3.91Å; W91-L95 HydrophobicContact CZ2-CG 4.12Å; W91-L95 VanDerWaalsContact NE1-CD1 3.29Å; W91-L95 WeakPolarHBondContact O-CG 3.41Å; W91-L95 PolarHBondContact O-N 2.79Å; A92-L95 PolarHBondContact O-N 2.91Å; E93-L95 PolarHBondContact O-N 2.96Å; L95-Q97 PolarHBondContact O-N 2.97Å; L95-C98 WeakPolarHBondContact O-CB 3.4Å; L95-C98 PolarHBondContact O-N 3.34Å; L95-C98 VanDerWaalsContact O-N 3.09Å; L95-L104 HydrophobicContact CD2-CG 4.44Å; L95-Q107 HydrophobicContact CD2-CB 4.02Å; L95-Q107 HydrophobicContact CD2-CG 4.39Å; L95-P440 HydrophobicContact CB-CG 4.02Å; L95-P440 HydrophobicContact CD1-CG 4.24Å
96S90.3Very high92.3Very high45 Ų4579.3 Ų79.332%0.31538%0.379SS..Hα-helixtrans-67.2-27.5179.474.20000112.6A92 E93 C98 V439A92-S96 PolarHBondContact O-N 2.87Å; E93-S96 PolarHBondContact O-N 2.96Å; E93-S96 PolarHBondContact O-OG 3.06Å; S96-C98 VanDerWaalsContact C-N 3.26Å; S96-C98 PolarHBondContact O-N 3.15Å; S96-V439 VanDerWaalsContact CB-CG2 3.49Å
97Q91.8Very high92.1Very high118 Ų11874.6 Ų74.655%0.55136%0.357SS*.THydrogen-bonded Turntrans-77.6-4.9173.9-65.1173.55.800113.8E93 L95E93-Q97 WeakPolarHBondContact O-CG 3.4Å; E93-Q97 PolarHBondContact O-N 2.83Å; L95-Q97 PolarHBondContact O-N 2.97Å
98C91.4Very high92Very high23 Ų2371.6 Ų71.616%0.15534%0.341CS..  trans-87.9116.7178.5-64.80000110.5A94 L95 S96 E103 L104 Q107A94-C98 PolarHBondContact O-SG 3.09Å; L95-C98 WeakPolarHBondContact O-CB 3.4Å; L95-C98 PolarHBondContact O-N 3.34Å; L95-C98 VanDerWaalsContact O-N 3.09Å; S96-C98 VanDerWaalsContact C-N 3.26Å; S96-C98 PolarHBondContact O-N 3.15Å; C98-E103 HydrophobicContact CB-CB 4.02Å; C98-L104 HydrophobicContact CB-CB 4.28Å; C98-Q107 WeakPolarHBondContact SG-CG 3.27Å
99H89.3Confident91.9Very high165 Ų16572 Ų7276%0.76435%0.348SS*.  trans-101.2-16.7179.1-58.7-60.3000112.7E103H99-E103 PolarHBondContact N-OE2 2.97Å
100T91.7Very high91.7Very high70 Ų7076 Ų7643%0.42936%0.364SS..SBendtrans-122.4151.9-179.766.40000112.2K102 E103 L104T100-K102 PolarHBondContact O-N 3.44Å; T100-E103 PolarHBondContact N-OE2 3.2Å; T100-E103 PolarHBondContact O-N 2.96Å; T100-E103 VanDerWaalsContact O-N 3.11Å; T100-E103 VanDerWaalsContact OG1-CG 3.28Å; T100-E103 WeakPolarHBondContact OG1-CG 3.38Å; T100-E103 PolarHBondContact OG1-N 3.07Å; T100-E103 PolarHBondContact OG1-OE2 3.15Å; T100-L104 PolarHBondContact O-N 3.44Å; T100-L104 VanDerWaalsContact O-N 3.12Å
101Q87.1Confident91.5Very high111 Ų11170.6 Ų70.652%0.51934%0.339SS..Hα-helixtrans-56.9-33.3175.3-173.258.739.400112.3L104 D105Q101-L104 PolarHBondContact O-N 3.4Å; Q101-D105 PolarHBondContact NE2-OD1 2.87Å; Q101-D105 WeakPolarHBondContact O-CB 3.22Å; Q101-D105 PolarHBondContact O-N 3.09Å
102K89.9Confident91.6Very high178 Ų17869.7 Ų69.777%0.77434%0.34SS*.Hα-helixtrans-66.1-39.9177.9-69.1-178.1179.2177.30112.6T100 R106T100-K102 PolarHBondContact O-N 3.44Å; K102-R106 WeakPolarHBondContact O-CB 3.33Å; K102-R106 PolarHBondContact O-N 3.12Å
103E92.6Very high91.6Very high63 Ų6369.5 Ų69.529%0.29434%0.338SS..Hα-helixtrans-68.1-42.7176.5-72.4159.7162.900111C98 H99 T100 R106 Q107C98-E103 HydrophobicContact CB-CB 4.02Å; H99-E103 PolarHBondContact N-OE2 2.97Å; T100-E103 PolarHBondContact N-OE2 3.2Å; T100-E103 PolarHBondContact O-N 2.96Å; T100-E103 VanDerWaalsContact O-N 3.11Å; T100-E103 VanDerWaalsContact OG1-CG 3.28Å; T100-E103 WeakPolarHBondContact OG1-CG 3.38Å; T100-E103 PolarHBondContact OG1-N 3.07Å; T100-E103 PolarHBondContact OG1-OE2 3.15Å; E103-R106 WeakPolarHBondContact O-CB 3.37Å; E103-R106 PolarHBondContact O-N 3.15Å; E103-R106 VanDerWaalsContact O-N 3.15Å; E103-Q107 PolarHBondContact O-N 3.11Å
104L89.3Confident91.7Very high45 Ų4566 Ų6624%0.23632%0.324CS..Hα-helixtrans-60.2-47.4175.4-169.9148000110.5L95 C98 T100 Q101 R106 Q107 R108L95-L104 HydrophobicContact CD2-CG 4.44Å; C98-L104 HydrophobicContact CB-CB 4.28Å; T100-L104 PolarHBondContact O-N 3.44Å; T100-L104 VanDerWaalsContact O-N 3.12Å; Q101-L104 PolarHBondContact O-N 3.4Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 3.09Å; L104-Q107 WeakPolarHBondContact O-CB 3.49Å; L104-Q107 PolarHBondContact O-N 3.37Å; L104-Q107 VanDerWaalsContact O-N 3.07Å; L104-R108 HydrophobicContact CD2-CG 3.98Å; L104-R108 WeakPolarHBondContact O-CG 3.21Å; L104-R108 PolarHBondContact O-N 3.06Å
105D89.3Confident91.7Very high34 Ų3465 Ų6518%0.18232%0.315CS..Hα-helixtrans-60.2-38.1175.3-71.4-16.1000112Q101 Q107 R108 C109Q101-D105 PolarHBondContact NE2-OD1 2.87Å; Q101-D105 WeakPolarHBondContact O-CB 3.22Å; Q101-D105 PolarHBondContact O-N 3.09Å; D105-Q107 VanDerWaalsContact C-N 3.34Å; D105-Q107 PolarHBondContact O-N 3.24Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 IonicContact OD1-NH1 2.74Å; D105-C109 PolarHBondContact O-N 2.91Å; D105-C109 PolarHBondContact O-SG 2.79Å
106R92.8Very high91.9Very high160 Ų16063.9 Ų63.960%0.60431%0.309SS*.Hα-helixtrans-62-40.2174-175.8177.666.4161.4-1.6111.7K102 E103 L104 C109K102-R106 WeakPolarHBondContact O-CB 3.33Å; K102-R106 PolarHBondContact O-N 3.12Å; E103-R106 WeakPolarHBondContact O-CB 3.37Å; E103-R106 PolarHBondContact O-N 3.15Å; E103-R106 VanDerWaalsContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.28Å; L104-R106 PolarHBondContact O-N 3.09Å; R106-C109 PolarHBondContact O-N 2.85Å
107Q92.7Very high92.2Very high18 Ų1863.3 Ų63.38%0.08430%0.302CS..Hα-helixtrans-65-47.6173.2-62.8-61.5-500110.9W91 L95 C98 E103 L104 D105 C109 K110W91-Q107 HydrophobicContact CH2-CB 3.93Å; W91-Q107 WeakPolarHBondContact CH2-O 3.23Å; W91-Q107 HydrophobicContact CZ3-CB 4.17Å; L95-Q107 HydrophobicContact CD2-CB 4.02Å; L95-Q107 HydrophobicContact CD2-CG 4.39Å; C98-Q107 WeakPolarHBondContact SG-CG 3.27Å; E103-Q107 PolarHBondContact O-N 3.11Å; L104-Q107 WeakPolarHBondContact O-CB 3.49Å; L104-Q107 PolarHBondContact O-N 3.37Å; L104-Q107 VanDerWaalsContact O-N 3.07Å; D105-Q107 VanDerWaalsContact C-N 3.34Å; D105-Q107 PolarHBondContact O-N 3.24Å; Q107-C109 PolarHBondContact O-N 2.89Å; Q107-K110 VanDerWaalsContact O-CB 3.31Å; Q107-K110 WeakPolarHBondContact O-CB 3.38Å; Q107-K110 PolarHBondContact O-N 2.95Å; Q107-K110 VanDerWaalsContact OE1-CE 3.31Å
108R91.9Very high92.4Very high34 Ų3457.7 Ų57.713%0.12828%0.275CS..Hα-helixtrans-54.8-37.6177.1-66.5-175.4163155.3-4.7112.3W52 W71 L104 D105 K110 L111W52-R108 WeakPolarHBondContact CB-O 3.35Å; W52-R108 HydrophobicContact CG-CB 4.24Å; W71-R108 HydrophobicContact CE3-CB 4.45Å; W71-R108 HydrophobicContact CE3-CG 4.14Å; W71-R108 HydrophobicContact CH2-CB 3.85Å; W71-R108 HydrophobicContact CH2-CG 3.36Å; W71-R108 HydrophobicContact CZ2-CG 3.88Å; W71-R108 HydrophobicContact CZ3-CB 3.65Å; W71-R108 HydrophobicContact CZ3-CG 3.52Å; L104-R108 HydrophobicContact CD2-CG 3.98Å; L104-R108 WeakPolarHBondContact O-CG 3.21Å; L104-R108 PolarHBondContact O-N 3.06Å; D105-R108 PolarHBondContact O-N 3.26Å; D105-R108 IonicContact OD1-NH1 2.74Å; R108-K110 PolarHBondContact O-N 2.81Å; R108-L111 WeakPolarHBondContact O-CB 3.27Å; R108-L111 PolarHBondContact O-N 3.4Å; R108-L111 VanDerWaalsContact O-N 3.08Å
109C91.4Very high92.6Very high40 Ų4056.6 Ų56.627%0.2727%0.268SS..THydrogen-bonded Turntrans-64.7-18178.2-68.20000114.4Q53 D105 R106 Q107 L111Q53-C109 HydrophobicContact CG-CB 4.09Å; Q53-C109 WeakPolarHBondContact CG-SG 3.47Å; Q53-C109 PolarHBondContact NE2-SG 3.35Å; D105-C109 PolarHBondContact O-N 2.91Å; D105-C109 PolarHBondContact O-SG 2.79Å; R106-C109 PolarHBondContact O-N 2.85Å; Q107-C109 PolarHBondContact O-N 2.89Å; C109-L111 VanDerWaalsContact C-N 3.25Å
110K91.4Very high92.9Very high139 Ų13948.7 Ų48.760%0.60423%0.231SC*.THydrogen-bonded Turntrans-74.9-17.4174.3-60.7177.2-179.91730112.5Q107 R108Q107-K110 VanDerWaalsContact O-CB 3.31Å; Q107-K110 WeakPolarHBondContact O-CB 3.38Å; Q107-K110 PolarHBondContact O-N 2.95Å; Q107-K110 VanDerWaalsContact OE1-CE 3.31Å; R108-K110 PolarHBondContact O-N 2.81Å
111L91.9Very high93.2Very high12 Ų1245.4 Ų45.46%0.06321%0.211CC..  trans-81.9139.4-178.2-60.8171.6000111.5W52 W71 F74 R83 W91 R108 C109W52-L111 PolarHBondContact N-O 2.92Å; W52-L111 VanDerWaalsContact N-O 3.11Å; W71-L111 HydrophobicContact CH2-CD1 3.56Å; W71-L111 HydrophobicContact CZ3-CD1 4.19Å; F74-L111 HydrophobicContact CE1-CB 3.64Å; F74-L111 HydrophobicContact CE1-CD1 4.16Å; F74-L111 HydrophobicContact CZ-CB 4.14Å; R83-L111 VanDerWaalsContact NH2-CD2 3.26Å; W91-L111 HydrophobicContact CE3-CD2 4.36Å; W91-L111 HydrophobicContact CH2-CD1 3.66Å; W91-L111 HydrophobicContact CH2-CD2 4.02Å; W91-L111 HydrophobicContact CH2-CG 3.71Å; W91-L111 HydrophobicContact CZ2-CD1 3.69Å; W91-L111 HydrophobicContact CZ2-CD2 4.4Å; W91-L111 HydrophobicContact CZ2-CG 4.21Å; W91-L111 HydrophobicContact CZ3-CD1 4.45Å; W91-L111 HydrophobicContact CZ3-CD2 4Å; W91-L111 HydrophobicContact CZ3-CG 4.09Å; R108-L111 WeakPolarHBondContact O-CB 3.27Å; R108-L111 PolarHBondContact O-N 3.4Å; R108-L111 VanDerWaalsContact O-N 3.08Å; C109-L111 VanDerWaalsContact C-N 3.25Å
112S94.2Very high93.6Very high34 Ų3440.1 Ų40.124%0.23819%0.187CC..EExtended strand (participates in β ladder)trans-141.1152.4170.9540000110.1R49 L50R49-S112 PolarHBondContact NE-OG 2.93Å; R49-S112 VanDerWaalsContact NE-OG 3.13Å; R49-S112 PolarHBondContact NH2-O 3.07Å; R49-S112 PolarHBondContact NH2-OG 3.05Å; L50-S112 CarbonylContact O-C 3.54Å; L50-S112 VanDerWaalsContact O-CA 3.25Å; L50-S112 WeakPolarHBondContact O-CA 3.27Å
113V94.9Very high93.8Very high4 Ų431.7 Ų31.72%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-123157-178.7-62.70000110.1R49 L50 F74 F77 T115 F118R49-V113 CarbonylContact C-O 3.24Å; R49-V113 VanDerWaalsContact CA-O 3.31Å; R49-V113 WeakPolarHBondContact CA-O 3.5Å; L50-V113 HydrophobicContact CB-CG2 4.1Å; L50-V113 PolarHBondContact N-O 3.29Å; L50-V113 PolarHBondContact O-N 2.83Å; F74-V113 HydrophobicContact CD2-CG1 4.33Å; F74-V113 HydrophobicContact CD2-CG2 4.42Å; F74-V113 HydrophobicContact CE1-CG1 4.2Å; F74-V113 HydrophobicContact CE2-CB 4.39Å; F74-V113 HydrophobicContact CE2-CG1 3.76Å; F74-V113 HydrophobicContact CE2-CG2 3.78Å; F74-V113 HydrophobicContact CZ-CG1 3.69Å; F74-V113 HydrophobicContact CZ-CG2 4.4Å; F77-V113 HydrophobicContact CD1-CB 3.79Å; F77-V113 HydrophobicContact CD1-CG1 3.53Å; F77-V113 HydrophobicContact CE1-CB 3.67Å; F77-V113 HydrophobicContact CE1-CG1 3.88Å; V113-T115 PolarHBondContact O-N 2.85Å; V113-F118 HydrophobicContact CB-CB 4.49Å; V113-F118 HydrophobicContact CG2-CB 3.79Å; V113-F118 HydrophobicContact CG2-CD1 4.15Å; V113-F118 HydrophobicContact CG2-CD2 4.16Å; V113-F118 HydrophobicContact CG2-CG 3.78Å
114D95.4Very high93.9Very high42 Ų4228.7 Ų28.723%0.22514%0.136CC..EExtended strand (participates in β ladder)trans-65.2125.2168.6-179.6-86.8000109.7L116 Q117 F118D114-L116 PolarHBondContact O-N 3.17Å; D114-L116 WeakPolarHBondContact OD1-CB 3.4Å; D114-L116 PolarHBondContact OD1-N 2.81Å; D114-Q117 HydrophobicContact CB-CB 4.08Å; D114-Q117 HydrophobicContact CB-CG 4.2Å; D114-Q117 WeakPolarHBondContact OD1-CB 3.43Å; D114-Q117 WeakPolarHBondContact OD1-CG 3.46Å; D114-Q117 PolarHBondContact OD1-N 2.92Å; D114-F118 WeakPolarHBondContact O-CB 3.48Å; D114-F118 PolarHBondContact O-N 3.05Å
115T95.1Very high94.1Very high1 Ų126.6 Ų26.61%0.00613%0.125CC..Hα-helixtrans-65-41.2-172.2-57.80000111.7V40 C46 F47 P48 L50 V113 F118 L119V40-T115 HydrophobicContact CB-CG2 4.25Å; V40-T115 HydrophobicContact CG1-CG2 3.52Å; C46-T115 PolarHBondContact O-OG1 3.4Å; F47-T115 HydrophobicContact CD2-CG2 4.26Å; P48-T115 VanDerWaalsContact O-CB 3.28Å; P48-T115 WeakPolarHBondContact O-CB 3.43Å; P48-T115 PolarHBondContact O-N 2.92Å; P48-T115 PolarHBondContact O-OG1 3.26Å; L50-T115 PolarHBondContact N-OG1 2.94Å; V113-T115 PolarHBondContact O-N 2.85Å; T115-F118 PolarHBondContact O-N 3.29Å; T115-L119 HydrophobicContact CG2-CD1 4.17Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 2.87Å
116L95.5Very high94.2Very high6 Ų626 Ų263%0.03112%0.121CC..Hα-helixtrans-70.1-48.2-175.5-58.3-173.7000110.6F47 D114 F118 L119 L120 L187 S212F47-L116 HydrophobicContact CE2-CD2 3.84Å; F47-L116 HydrophobicContact CE2-CG 4.03Å; D114-L116 PolarHBondContact O-N 3.17Å; D114-L116 WeakPolarHBondContact OD1-CB 3.4Å; D114-L116 PolarHBondContact OD1-N 2.81Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 2.89Å; L116-L119 PolarHBondContact O-N 2.87Å; L116-L120 WeakPolarHBondContact O-CG 3.41Å; L116-L120 PolarHBondContact O-N 2.88Å; L116-L120 VanDerWaalsContact O-N 3.07Å; L116-L187 HydrophobicContact CB-CD2 3.99Å; L116-L187 HydrophobicContact CD2-CD2 4.27Å; L116-S212 VanDerWaalsContact CB-CB 3.41Å
117Q96.3Very high94Very high32 Ų3218.7 Ų18.715%0.159%0.094CC..Hα-helixtrans-61.9-39.7176.2-67.4-179.56.300111.3F77 D114 L120 F121 L215F77-Q117 HydrophobicContact CE2-CB 4.04Å; F77-Q117 HydrophobicContact CZ-CB 3.64Å; D114-Q117 HydrophobicContact CB-CB 4.08Å; D114-Q117 HydrophobicContact CB-CG 4.2Å; D114-Q117 WeakPolarHBondContact OD1-CB 3.43Å; D114-Q117 WeakPolarHBondContact OD1-CG 3.46Å; D114-Q117 PolarHBondContact OD1-N 2.92Å; Q117-L120 PolarHBondContact O-N 3.03Å; Q117-F121 WeakPolarHBondContact O-CB 3.35Å; Q117-F121 PolarHBondContact O-N 3.18Å; Q117-L215 HydrophobicContact CB-CB 4.49Å; Q117-L215 HydrophobicContact CB-CD2 4.06Å; Q117-L215 HydrophobicContact CG-CB 4.23Å; Q117-L215 VanDerWaalsContact O-CD2 3.24Å; Q117-L215 WeakPolarHBondContact O-CD2 3.35Å
118F96.6Very high93.6Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-66.2-39.8177.2-170-118.9000112.3M36 L50 W55 F74 F77 V113 D114 T115 L116 L120 F121 L122M36-F118 HydrophobicContact CE-CD1 4.16Å; M36-F118 HydrophobicContact CE-CE1 4.3Å; L50-F118 HydrophobicContact CD2-CD1 3.83Å; L50-F118 HydrophobicContact CD2-CE1 4.13Å; W55-F118 AromaticContact CD2-CE1 3.64Å; W55-F118 HydrophobicContact CD2-CE1 3.64Å; W55-F118 AromaticContact CD2-CZ 4Å; W55-F118 HydrophobicContact CD2-CZ 4Å; W55-F118 AromaticContact CE2-CE1 3.83Å; W55-F118 AromaticContact CE2-CZ 3.71Å; W55-F118 AromaticContact CE3-CE1 3.71Å; W55-F118 HydrophobicContact CE3-CE1 3.71Å; W55-F118 HydrophobicContact CE3-CZ 4.43Å; W55-F118 HydrophobicContact CG-CE1 4.17Å; W55-F118 HydrophobicContact CG-CZ 4.42Å; W55-F118 HydrophobicContact CH2-CE1 4.12Å; W55-F118 HydrophobicContact CH2-CZ 4.35Å; W55-F118 HydrophobicContact CZ2-CE1 4.07Å; W55-F118 AromaticContact CZ2-CZ 3.91Å; W55-F118 HydrophobicContact CZ2-CZ 3.91Å; W55-F118 AromaticContact CZ3-CE1 3.95Å; W55-F118 HydrophobicContact CZ3-CE1 3.95Å; W55-F118 AromaticContact NE1-CZ 4Å; F74-F118 HydrophobicContact CD2-CZ 4.26Å; F77-F118 HydrophobicContact CB-CD2 3.79Å; F77-F118 HydrophobicContact CB-CE2 3.87Å; F77-F118 AromaticContact CD1-CD2 3.96Å; F77-F118 HydrophobicContact CD1-CD2 3.96Å; F77-F118 HydrophobicContact CD2-CD2 4.01Å; F77-F118 AromaticContact CG-CD2 3.63Å; F77-F118 HydrophobicContact CG-CD2 3.63Å; F77-F118 HydrophobicContact CG-CE2 4.23Å; F77-F118 HydrophobicContact CZ-CB 4.5Å; V113-F118 HydrophobicContact CB-CB 4.49Å; V113-F118 HydrophobicContact CG2-CB 3.79Å; V113-F118 HydrophobicContact CG2-CD1 4.15Å; V113-F118 HydrophobicContact CG2-CD2 4.16Å; V113-F118 HydrophobicContact CG2-CG 3.78Å; D114-F118 WeakPolarHBondContact O-CB 3.48Å; D114-F118 PolarHBondContact O-N 3.05Å; T115-F118 PolarHBondContact O-N 3.29Å; L116-F118 VanDerWaalsContact C-N 3.3Å; L116-F118 PolarHBondContact O-N 2.89Å; F118-L120 PolarHBondContact O-N 3.35Å; F118-F121 AromaticContact CD2-CD1 3.9Å; F118-F121 HydrophobicContact CD2-CD1 3.9Å; F118-F121 AromaticContact CE2-CD1 3.85Å; F118-F121 HydrophobicContact CE2-CD1 3.85Å; F118-F121 HydrophobicContact CE2-CE1 4.13Å; F118-F121 WeakPolarHBondContact O-CB 3.35Å; F118-F121 PolarHBondContact O-N 2.93Å; F118-L122 HydrophobicContact CD1-CD1 4Å; F118-L122 HydrophobicContact CD1-CG 4.33Å; F118-L122 HydrophobicContact CE1-CD1 3.7Å; F118-L122 HydrophobicContact CE1-CD2 4.25Å; F118-L122 HydrophobicContact CE1-CG 4.09Å; F118-L122 HydrophobicContact CE2-CD2 4.21Å; F118-L122 HydrophobicContact CE2-CG 4.43Å; F118-L122 HydrophobicContact CZ-CD1 4.19Å; F118-L122 HydrophobicContact CZ-CD2 3.87Å; F118-L122 HydrophobicContact CZ-CG 4.14Å; F118-L122 WeakPolarHBondContact O-CG 3.43Å; F118-L122 PolarHBondContact O-N 3.42Å
119L95.6Very high93.1Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-60.6-44.5173.6-74.4165.3000112M36 A37 T115 L116 F121 L122 Y123M36-L119 HydrophobicContact CB-CD2 4.42Å; M36-L119 HydrophobicContact CE-CD2 4.04Å; M36-L119 HydrophobicContact CG-CD2 4.04Å; M36-L119 HydrophobicContact SD-CD2 3.9Å; A37-L119 HydrophobicContact CB-CD1 3.62Å; A37-L119 HydrophobicContact CB-CD2 4.29Å; T115-L119 HydrophobicContact CG2-CD1 4.17Å; T115-L119 VanDerWaalsContact O-CG 3.27Å; T115-L119 WeakPolarHBondContact O-CG 3.38Å; T115-L119 PolarHBondContact O-N 2.87Å; L116-L119 PolarHBondContact O-N 2.87Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.91Å; L119-L122 PolarHBondContact O-N 3.28Å; L119-Y123 WeakPolarHBondContact O-CB 3.4Å; L119-Y123 PolarHBondContact O-N 3.05Å
120L96.4Very high91.8Very high0 Ų026.8 Ų26.80%013%0.128CC..Hα-helixtrans-61.3-42.1174.9-67.2175.4000111.3L116 Q117 F118 Y123 L124 L183 L187 S212 L213 L215 L216L116-L120 WeakPolarHBondContact O-CG 3.41Å; L116-L120 PolarHBondContact O-N 2.88Å; L116-L120 VanDerWaalsContact O-N 3.07Å; Q117-L120 PolarHBondContact O-N 3.03Å; F118-L120 PolarHBondContact O-N 3.35Å; L120-Y123 PolarHBondContact O-N 3.21Å; L120-L124 WeakPolarHBondContact O-CB 3.4Å; L120-L124 PolarHBondContact O-N 3.26Å; L120-L183 HydrophobicContact CD2-CB 4.33Å; L120-L183 HydrophobicContact CD2-CD2 3.83Å; L120-L187 HydrophobicContact CD1-CD1 4.32Å; L120-L187 HydrophobicContact CD1-CD2 4.21Å; L120-L187 HydrophobicContact CD2-CD1 4.27Å; L120-L187 HydrophobicContact CD2-CD2 4.19Å; L120-L187 HydrophobicContact CD2-CG 4.24Å; L120-L187 HydrophobicContact CG-CD2 4.14Å; L120-S212 WeakPolarHBondContact CD1-O 3.27Å; L120-L213 HydrophobicContact CD1-CD2 4.17Å; L120-L213 HydrophobicContact CD2-CD2 4.45Å; L120-L215 HydrophobicContact CB-CD2 4.34Å; L120-L216 HydrophobicContact CB-CD1 4.06Å; L120-L216 HydrophobicContact CB-CG 4.46Å; L120-L216 HydrophobicContact CD1-CD1 4.49Å; L120-L216 HydrophobicContact CD2-CD1 4.38Å
121F96.6Very high90.1Very high1 Ų123.1 Ų23.10%0.00412%0.119CC..Hα-helixtrans-62.5-43.8176.1165.5-98.1000113G18 Y73 T76 F77 L80 Q117 F118 L119 Y123 L124 Q125 L215G18-F121 VanDerWaalsContact O-CE2 3.24Å; G18-F121 WeakPolarHBondContact O-CE2 3.37Å; Y73-F121 HydrophobicContact CD1-CE1 4.03Å; Y73-F121 HydrophobicContact CD1-CZ 4.24Å; Y73-F121 VanDerWaalsContact O-CE1 3.32Å; Y73-F121 WeakPolarHBondContact O-CE1 3.45Å; T76-F121 HydrophobicContact CG2-CE2 3.91Å; T76-F121 HydrophobicContact CG2-CZ 3.66Å; F77-F121 HydrophobicContact CB-CD1 3.96Å; F77-F121 HydrophobicContact CB-CE1 3.98Å; F77-F121 HydrophobicContact CB-CG 4.29Å; F77-F121 HydrophobicContact CB-CZ 4.31Å; F77-F121 HydrophobicContact CD2-CB 3.54Å; F77-F121 AromaticContact CD2-CD1 3.94Å; F77-F121 HydrophobicContact CD2-CD1 3.94Å; F77-F121 AromaticContact CD2-CD2 3.97Å; F77-F121 HydrophobicContact CD2-CD2 3.97Å; F77-F121 AromaticContact CD2-CG 3.54Å; F77-F121 HydrophobicContact CD2-CG 3.54Å; F77-F121 HydrophobicContact CE2-CB 3.89Å; F77-F121 HydrophobicContact CE2-CG 4.37Å; F77-F121 HydrophobicContact CG-CD1 4.34Å; F77-F121 HydrophobicContact CG-CG 4.35Å; L80-F121 HydrophobicContact CD1-CD2 3.92Å; L80-F121 HydrophobicContact CD1-CE2 3.89Å; Q117-F121 WeakPolarHBondContact O-CB 3.35Å; Q117-F121 PolarHBondContact O-N 3.18Å; F118-F121 AromaticContact CD2-CD1 3.9Å; F118-F121 HydrophobicContact CD2-CD1 3.9Å; F118-F121 AromaticContact CE2-CD1 3.85Å; F118-F121 HydrophobicContact CE2-CD1 3.85Å; F118-F121 HydrophobicContact CE2-CE1 4.13Å; F118-F121 WeakPolarHBondContact O-CB 3.35Å; F118-F121 PolarHBondContact O-N 2.93Å; L119-F121 VanDerWaalsContact C-N 3.32Å; L119-F121 PolarHBondContact O-N 2.91Å; F121-Y123 VanDerWaalsContact C-N 3.33Å; F121-L124 VanDerWaalsContact O-CB 3.3Å; F121-L124 WeakPolarHBondContact O-CB 3.21Å; F121-L124 PolarHBondContact O-N 2.96Å; F121-Q125 VanDerWaalsContact CE2-NE2 3.3Å; F121-Q125 PolarHBondContact O-NE2 3.35Å; F121-L215 HydrophobicContact CB-CD2 4.24Å
122L95.4Very high87.8Confident0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-64.4-40.8176.7-67.6178.4000111.1F28 L33 M36 W55 Y73 F118 L119 L124 Q125F28-L122 HydrophobicContact CE1-CD2 4.34Å; F28-L122 HydrophobicContact CE2-CD2 3.9Å; F28-L122 HydrophobicContact CZ-CD2 3.7Å; L33-L122 HydrophobicContact CD2-CB 3.92Å; L33-L122 HydrophobicContact CD2-CD1 4.06Å; M36-L122 HydrophobicContact CE-CD1 4.09Å; M36-L122 HydrophobicContact SD-CD1 4.05Å; W55-L122 HydrophobicContact CH2-CD1 3.56Å; W55-L122 HydrophobicContact CH2-CD2 3.99Å; W55-L122 HydrophobicContact CH2-CG 4.44Å; W55-L122 HydrophobicContact CZ2-CD1 4.42Å; W55-L122 HydrophobicContact CZ2-CD2 4.18Å; W55-L122 HydrophobicContact CZ3-CD1 3.74Å; Y73-L122 HydrophobicContact CG-CD2 4.37Å; F118-L122 HydrophobicContact CD1-CD1 4Å; F118-L122 HydrophobicContact CD1-CG 4.33Å; F118-L122 HydrophobicContact CE1-CD1 3.7Å; F118-L122 HydrophobicContact CE1-CD2 4.25Å; F118-L122 HydrophobicContact CE1-CG 4.09Å; F118-L122 HydrophobicContact CE2-CD2 4.21Å; F118-L122 HydrophobicContact CE2-CG 4.43Å; F118-L122 HydrophobicContact CZ-CD1 4.19Å; F118-L122 HydrophobicContact CZ-CD2 3.87Å; F118-L122 HydrophobicContact CZ-CG 4.14Å; F118-L122 WeakPolarHBondContact O-CG 3.43Å; F118-L122 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.28Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-Q125 WeakPolarHBondContact O-CB 3.27Å; L122-Q125 WeakPolarHBondContact O-CG 3.29Å; L122-Q125 PolarHBondContact O-N 3.41Å
123Y95.2Very high85.3Confident0 Ų037.5 Ų37.50%018%0.177CC..Hα-helixtrans-64.4-38175.1-169.9-81.8000111.9M30 L33 L119 L120 F121 Q125 Q126 F175 H179 E182 L183 L186M30-Y123 HydrophobicContact CB-CE2 4.33Å; M30-Y123 HydrophobicContact SD-CD2 4.33Å; M30-Y123 HydrophobicContact SD-CE2 4.03Å; L33-Y123 HydrophobicContact CD1-CD2 3.77Å; L33-Y123 HydrophobicContact CD1-CG 4.25Å; L119-Y123 WeakPolarHBondContact O-CB 3.4Å; L119-Y123 PolarHBondContact O-N 3.05Å; L120-Y123 PolarHBondContact O-N 3.21Å; F121-Y123 VanDerWaalsContact C-N 3.33Å; Y123-Q125 PolarHBondContact O-N 2.88Å; Y123-Q125 VanDerWaalsContact O-N 3.11Å; Y123-Q126 VanDerWaalsContact CE2-NE2 3.27Å; Y123-Q126 VanDerWaalsContact O-CB 3.3Å; Y123-Q126 WeakPolarHBondContact O-CB 3.37Å; Y123-Q126 WeakPolarHBondContact O-CG 3.21Å; Y123-Q126 PolarHBondContact O-N 3.32Å; Y123-F175 HydrophobicContact CD1-CZ 4.1Å; Y123-F175 HydrophobicContact CE1-CE1 4.48Å; Y123-F175 AromaticContact CE1-CZ 3.91Å; Y123-F175 HydrophobicContact CE1-CZ 3.91Å; Y123-H179 HydrophobicContact CE1-CB 3.71Å; Y123-H179 AromaticContact CE1-CG 3.94Å; Y123-H179 AromaticContact CZ-ND1 3.93Å; Y123-H179 PolarHBondContact OH-ND1 3.09Å; Y123-E182 HydrophobicContact CE2-CB 4.05Å; Y123-E182 PolarHBondContact OH-OE1 3.12Å; Y123-E182 PolarHBondContact OH-OE2 3.08Å; Y123-L183 HydrophobicContact CD1-CD2 3.42Å; Y123-L183 VanDerWaalsContact CD1-CD2 3.42Å; Y123-L183 HydrophobicContact CD1-CG 4.19Å; Y123-L183 HydrophobicContact CE1-CD2 3.98Å; Y123-L183 HydrophobicContact CE1-CG 4.26Å; Y123-L183 HydrophobicContact CG-CD2 4.02Å; Y123-L186 HydrophobicContact CD2-CD1 3.75Å; Y123-L186 HydrophobicContact CG-CD1 3.99Å
124L94.6Very high82.7Confident0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-56.6-28.7179.6-165.367.2000113.2P14 F15 V19 L120 F121 L122 Q126 L127 F175 L216P14-L124 HydrophobicContact CB-CD2 3.73Å; F15-L124 HydrophobicContact CD1-CD1 3.9Å; F15-L124 HydrophobicContact CD1-CD2 4.5Å; F15-L124 HydrophobicContact CD1-CG 4.36Å; F15-L124 HydrophobicContact CE1-CD1 3.37Å; F15-L124 HydrophobicContact CE1-CG 4.3Å; F15-L124 HydrophobicContact CE2-CD1 4.18Å; F15-L124 HydrophobicContact CZ-CD1 3.55Å; V19-L124 HydrophobicContact CG2-CB 4.36Å; V19-L124 HydrophobicContact CG2-CD2 3.63Å; V19-L124 HydrophobicContact CG2-CG 3.54Å; L120-L124 WeakPolarHBondContact O-CB 3.4Å; L120-L124 PolarHBondContact O-N 3.26Å; F121-L124 VanDerWaalsContact O-CB 3.3Å; F121-L124 WeakPolarHBondContact O-CB 3.21Å; F121-L124 PolarHBondContact O-N 2.96Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L124-Q126 PolarHBondContact O-N 2.84Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-F175 HydrophobicContact CD1-CD1 4.26Å; L124-F175 HydrophobicContact CD1-CE1 3.78Å; L124-L216 HydrophobicContact CD1-CD2 3.92Å; L124-L216 HydrophobicContact CD2-CD2 3.77Å; L124-L216 HydrophobicContact CG-CD2 4.34Å
125Q92.9Very high80Confident2 Ų244.4 Ų44.41%0.00922%0.224CC..G310 helixtrans-59.2-18.9177.4-53.3-57.7-46.300112.8G18 P24 F28 Y73 F121 L122 Y123 L127G18-Q125 PolarHBondContact O-NE2 3.47Å; P24-Q125 HydrophobicContact CB-CB 3.87Å; P24-Q125 WeakPolarHBondContact CG-O 3.32Å; F28-Q125 HydrophobicContact CD2-CB 4.24Å; F28-Q125 HydrophobicContact CD2-CG 4.35Å; F28-Q125 HydrophobicContact CE2-CG 4.37Å; Y73-Q125 HydrophobicContact CD1-CG 4.3Å; Y73-Q125 HydrophobicContact CE1-CG 3.75Å; F121-Q125 VanDerWaalsContact CE2-NE2 3.3Å; F121-Q125 PolarHBondContact O-NE2 3.35Å; L122-Q125 WeakPolarHBondContact O-CB 3.27Å; L122-Q125 WeakPolarHBondContact O-CG 3.29Å; L122-Q125 PolarHBondContact O-N 3.41Å; Y123-Q125 PolarHBondContact O-N 2.88Å; Y123-Q125 VanDerWaalsContact O-N 3.11Å; Q125-L127 PolarHBondContact O-N 3.5Å; Q125-L127 VanDerWaalsContact O-N 3.16Å
126Q90.7Very high77Confident20 Ų2051.1 Ų51.19%0.09326%0.259CS..G310 helixtrans-63.1-13.4173.9-65.1-167.742.300114.4F28 Y123 L124 N128 R129 F175F28-Q126 PolarHBondContact O-NE2 3.18Å; Y123-Q126 VanDerWaalsContact CE2-NE2 3.27Å; Y123-Q126 VanDerWaalsContact O-CB 3.3Å; Y123-Q126 WeakPolarHBondContact O-CB 3.37Å; Y123-Q126 WeakPolarHBondContact O-CG 3.21Å; Y123-Q126 PolarHBondContact O-N 3.32Å; L124-Q126 PolarHBondContact O-N 2.84Å; Q126-N128 PolarHBondContact O-N 3.23Å; Q126-R129 WeakPolarHBondContact O-CB 3.19Å; Q126-R129 PolarHBondContact O-N 2.81Å; Q126-F175 HydrophobicContact CB-CE2 4.03Å; Q126-F175 HydrophobicContact CB-CZ 4.27Å
127L89.1Confident74.3Confident8 Ų858.4 Ų58.44%0.04230%0.297CS..G310 helixtrans-52-42.9176.4177.368.1000112.4F15 V19 L124 Q125 R129 K165 F175F15-L127 HydrophobicContact CD1-CD2 3.91Å; V19-L127 HydrophobicContact CG1-CB 4.21Å; V19-L127 HydrophobicContact CG1-CD2 4.31Å; L124-L127 WeakPolarHBondContact O-CB 3.23Å; L124-L127 PolarHBondContact O-N 2.87Å; Q125-L127 PolarHBondContact O-N 3.5Å; Q125-L127 VanDerWaalsContact O-N 3.16Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-K165 HydrophobicContact CD1-CB 4.25Å; L127-K165 HydrophobicContact CD1-CD 4.24Å; L127-K165 HydrophobicContact CD2-CB 3.92Å; L127-K165 HydrophobicContact CG-CB 3.99Å; L127-K165 HydrophobicContact CG-CD 4.19Å; L127-K165 VanDerWaalsContact O-CD 3.25Å; L127-K165 WeakPolarHBondContact O-CD 3.47Å; L127-K165 PolarHBondContact O-NZ 3.06Å; L127-F175 HydrophobicContact CB-CD2 4.33Å; L127-F175 HydrophobicContact CB-CE2 4.4Å; L127-F175 HydrophobicContact CD1-CB 4.02Å; L127-F175 HydrophobicContact CD1-CD2 4.11Å; L127-F175 HydrophobicContact CD1-CG 4.16Å
128N84.3Confident71.7Confident23 Ų2359.8 Ų59.812%0.12332%0.319CS..G310 helixtrans-92.811.8-177.7-70.1-35.4000113.4V19 L20 A22 Q126 I130 N166V19-N128 VanDerWaalsContact CG1-ND2 3.3Å; V19-N128 WeakPolarHBondContact CG1-ND2 3.35Å; L20-N128 PolarHBondContact O-ND2 2.88Å; A22-N128 WeakPolarHBondContact O-CB 3.37Å; Q126-N128 PolarHBondContact O-N 3.23Å; N128-I130 PolarHBondContact O-N 2.82Å; N128-N166 PolarHBondContact ND2-OD1 3.35Å
129R82.3Confident68.5Low118 Ų11865.8 Ų65.845%0.44535%0.348SS..  trans-64.9128.8172.5-167.8174.3-175.4167.13.5110.3P24 Q126 L127 S131P24-R129 HydrophobicContact CG-CB 4.25Å; Q126-R129 WeakPolarHBondContact O-CB 3.19Å; Q126-R129 PolarHBondContact O-N 2.81Å; L127-R129 VanDerWaalsContact C-N 3.33Å; R129-S131 PolarHBondContact O-N 2.82Å
130I64.4Low65.5Low121 Ų12175.1 Ų75.162%0.62139%0.391SS*.  trans-74.9122.1176-58.5171.7000108.3T23 N128T23-I130 WeakPolarHBondContact OG1-CD1 3.34Å; N128-I130 PolarHBondContact O-N 2.82Å
131S54.1Low62.5Low62 Ų6286.5 Ų86.543%0.43443%0.434SS..  trans-110.3116.6173.6-178.70000109.5R129 R133 T134R129-S131 PolarHBondContact O-N 2.82Å; S131-R133 PolarHBondContact O-N 2.88Å; S131-T134 PolarHBondContact O-N 2.78Å; S131-T134 PolarHBondContact O-OG1 2.94Å
132L44.8Very low59.5Low138 Ų13892.2 Ų92.272%0.72347%0.472SS*.THydrogen-bonded Turntrans-67-18.2178.5-64.5171.6000112.8S135L132-S135 PolarHBondContact O-N 2.97Å
133R40.8Very low56.3Low210 Ų21097 Ų9779%0.79251%0.505SS*.THydrogen-bonded Turntrans-69.8-31.2178-77.5-176.2171.7156.5-2113.2S131 S135S131-R133 PolarHBondContact O-N 2.88Å; R133-S135 VanDerWaalsContact C-N 3.31Å
134T41.1Very low53.2Low111 Ų111103.2 Ų103.268%0.68155%0.545SS*.G310 helixtrans-74.7-19.8176.227.20000113.3S131S131-T134 PolarHBondContact O-N 2.78Å; S131-T134 PolarHBondContact O-OG1 2.94Å
135S37.8Very low50.1Low80 Ų80114.1 Ų114.156%0.55959%0.586SS**G310 helixtrans-80.5-14.5176.5-55.90000113.6L132 R133L132-S135 PolarHBondContact O-N 2.97Å; R133-S135 VanDerWaalsContact C-N 3.31Å
136L33.2Very low47Very low141 Ų141119.8 Ų119.874%0.73863%0.626SS**G310 helixtrans-92.7-3.5-174.3-73.1165.8000114.5G138L136-G138 VanDerWaalsContact C-N 3.33Å
137I38.9Very low44Very low159 Ų159130.5 Ų130.582%0.81567%0.666SS**SBendtrans-93.813.1-179.5-67169.8000112.6
138G40.3Very low41Very low61 Ų61135.6 Ų135.663%0.62970%0.702SS**SBendtrans163.179.4159.300000114.1L136L136-G138 VanDerWaalsContact C-N 3.33Å
139E30.9Very low38.9Very low126 Ų126140.6 Ų140.659%0.58974%0.736SS**  trans-144.8113.4146.9-69-152148.300108.5K159E139-K159 WeakPolarHBondContact OE1-CD 3.2Å; E139-K159 WeakPolarHBondContact OE1-CE 3.27Å; E139-K159 IonicContact OE1-NZ 3.23Å; E139-K159 PolarHBondContact OE1-NZ 3.5Å
140E32.4Very low36.1Very low197 Ų197140 Ų14092%0.92175%0.75SS**PPolyproline II helixtrans-64.7133175-118.4174.3173.300110
141W32.1Very low34.4Very low239 Ų239139.5 Ų139.591%0.90576%0.757SS**PPolyproline II helixtrans-59.5133.2174.7-82.988.2000111.1S143W141-S143 PolarHBondContact O-N 3.39Å
142P34.5Very low33Very low121 Ų121140.6 Ų140.679%0.78677%0.765SS**PPolyproline II helixtrans-73.8117.7-178.227.1-31.3000111.2
143S27.8Very low32.3Very low99 Ų99139.9 Ų139.969%0.69277%0.771SS**PPolyproline II helixtrans-82.1150.4168.9109.40000111.4W141 R145W141-S143 PolarHBondContact O-N 3.39Å; S143-R145 VanDerWaalsContact C-N 3.35Å; S143-R145 PolarHBondContact O-N 3.3Å; S143-R145 VanDerWaalsContact O-N 3.17Å
144P29.6Very low31.9Very low131 Ų131134.4 Ų134.485%0.85177%0.765SS**SBendtrans-87.922.4-162-3.723.9000115.6
145R29.6Very low31.3Very low229 Ų229135.9 Ų135.986%0.86476%0.764SS**  trans-134.687.2-177.2-71-172-172.5-173.83.4113.5S143S143-R145 VanDerWaalsContact C-N 3.35Å; S143-R145 PolarHBondContact O-N 3.3Å; S143-R145 VanDerWaalsContact O-N 3.17Å
146S27.8Very low30.8Very low122 Ų122143.1 Ų143.185%0.85378%0.779SS**  trans-173.2115.3133.8480000111.2
147R27.3Very low30.5Very low245 Ų245144.2 Ų144.293%0.92579%0.786SS**  trans-86.4128.9160.5-85.6-178.6179.7-176.8-0.3108.1
148S25.9Very low30.1Very low115 Ų115139.7 Ų139.780%0.80477%0.773SS**  176.3155.7118.2-73.80000111.4
149P40.7Very low29.7Very low127 Ų127143.9 Ų143.983%0.82577%0.774SS**  trans-108.3124.4-158.134.6-20.9000113.4
150S23.7Very low29.6Very low106 Ų106146.3 Ų146.374%0.74179%0.789SS**  trans-157.3126.3161.255.10000111.6
151S28.5Very low29.6Very low111 Ų111139.5 Ų139.578%0.77676%0.763SS**SBendtrans48.688.3154.260.50000119.2
152S25.8Very low30.1Very low84 Ų84132.1 Ų132.159%0.58775%0.748SS**  trans165.183.8139.855.10000110.7S154S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 2.79Å
153S30.2Very low31.1Very low123 Ų123134.2 Ų134.286%0.8675%0.747SS**THydrogen-bonded Turntrans-89.439.5178.461.70000113.2
154S32.8Very low33.2Very low95 Ų95130.7 Ų130.766%0.66472%0.72SS**THydrogen-bonded Turntrans-125.35.6-177.660.10000115.4S152S152-S154 VanDerWaalsContact C-N 3.27Å; S152-S154 PolarHBondContact O-N 2.79Å
155E27.9Very low35.7Very low143 Ų143128 Ų12867%0.66870%0.695SS**SBendtrans-118.2-11.9-176-68.5-170.9158.300115.1
156R26.8Very low38.4Very low231 Ų231117.3 Ų117.387%0.87266%0.655SS**SBendtrans-92-20.1-176.1-75.5-175.1-122.4-172.6-0.6115.4
157D27.4Very low41.1Very low164 Ų164111.8 Ų111.888%0.87762%0.616SS**SBendtrans-94.78.4177.3-63.8-37.7000113.5
158A30.2Very low44.1Very low65 Ų65103.2 Ų103.254%0.53759%0.588SS.*SBendtrans-105.40.9-169.200000115.8
159K31.1Very low47.1Very low149 Ų14998 Ų9865%0.64855%0.552SS**SBendtrans-116.411.1-165.4-73.5-161.9-174.1-176.90118.2E139E139-K159 WeakPolarHBondContact OE1-CD 3.2Å; E139-K159 WeakPolarHBondContact OE1-CE 3.27Å; E139-K159 IonicContact OE1-NZ 3.23Å; E139-K159 PolarHBondContact OE1-NZ 3.5Å
160I29.7Very low49.5Very low177 Ų17796.3 Ų96.391%0.90853%0.533SS*.SBendtrans-119.719.4165.3-43.1179.4000110.9S162I160-S162 PolarHBondContact O-N 2.96Å
161S33.1Very low52.7Low54 Ų5492.2 Ų92.238%0.37851%0.505SS..SBendtrans-85.4103.7171.8172.60000108.8Q163S161-Q163 PolarHBondContact O-N 3.21Å
162S41.1Very low55.8Low84 Ų8487 Ų8759%0.58747%0.468SS*.  trans-37107.9162.854.70000110.8I160 N164I160-S162 PolarHBondContact O-N 2.96Å; S162-N164 PolarHBondContact O-N 3.12Å; S162-N164 VanDerWaalsContact O-N 3.16Å
163Q56.4Low59Low165 Ų16583.4 Ų83.477%0.77144%0.443SS*.  trans-59.7120.7168.2-68.9177.8-7.100106.2S161 K165S161-Q163 PolarHBondContact O-N 3.21Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 2.94Å
164N70.8Confident62.1Low25 Ų2580.6 Ų80.613%0.13442%0.42CS..  trans-67.388.9179.8-175.8-5.7000109.1S162 N166 W167 Q374S162-N164 PolarHBondContact O-N 3.12Å; S162-N164 VanDerWaalsContact O-N 3.16Å; N164-N166 PolarHBondContact O-N 3.28Å; N164-N166 VanDerWaalsContact OD1-CB 3.25Å; N164-N166 WeakPolarHBondContact OD1-CB 3.31Å; N164-N166 PolarHBondContact OD1-N 2.89Å; N164-W167 PolarHBondContact O-N 3.2Å; N164-Q374 PolarHBondContact ND2-OE1 3.34Å
165K83.5Confident65Low74 Ų7476.7 Ų76.732%0.32239%0.392SS..G310 helixtrans-60.7-23.4-176.6-68.6174.2177.1172.60112.1L127 Q163 W167 D168 A171 H172L127-K165 HydrophobicContact CD1-CB 4.25Å; L127-K165 HydrophobicContact CD1-CD 4.24Å; L127-K165 HydrophobicContact CD2-CB 3.92Å; L127-K165 HydrophobicContact CG-CB 3.99Å; L127-K165 HydrophobicContact CG-CD 4.19Å; L127-K165 VanDerWaalsContact O-CD 3.25Å; L127-K165 WeakPolarHBondContact O-CD 3.47Å; L127-K165 PolarHBondContact O-NZ 3.06Å; Q163-K165 VanDerWaalsContact C-N 3.27Å; Q163-K165 PolarHBondContact O-N 2.94Å; K165-W167 PolarHBondContact O-N 2.92Å; K165-W167 VanDerWaalsContact O-N 3.1Å; K165-D168 PolarHBondContact O-N 3.07Å; K165-A171 HydrophobicContact CB-CB 4.34Å; K165-A171 HydrophobicContact CG-CB 4.48Å; K165-H172 PolarHBondContact O-CD2 3.35Å; K165-H172 PolarHBondContact O-NE2 2.93Å
166N86.3Confident68.2Low5 Ų570 Ų703%0.02736%0.36CS..G310 helixtrans-62.6-17.8-176.9-61.222.7000114.2F15 V19 N128 N164 H172F15-N166 VanDerWaalsContact O-CB 3.3Å; F15-N166 WeakPolarHBondContact O-CB 3.38Å; F15-N166 PolarHBondContact O-ND2 3.34Å; V19-N166 PolarHBondContact O-ND2 2.84Å; N128-N166 PolarHBondContact ND2-OD1 3.35Å; N164-N166 PolarHBondContact O-N 3.28Å; N164-N166 VanDerWaalsContact OD1-CB 3.25Å; N164-N166 WeakPolarHBondContact OD1-CB 3.31Å; N164-N166 PolarHBondContact OD1-N 2.89Å; N166-H172 VanDerWaalsContact C-NE2 3.28Å; N166-H172 PolarHBondContact O-CE1 2.85Å; N166-H172 PolarHBondContact O-NE2 3.17Å; N166-H172 VanDerWaalsContact O-NE2 3.17Å
167W84.7Confident71.5Confident5 Ų563 Ų632%0.01934%0.338CS..G310 helixtrans-104.7-6174.3-82.499.8000113.3L12 L16 N164 K165 V169 I272 L310 N332 K334 T353L12-W167 HydrophobicContact CD2-CZ3 4.47Å; L16-W167 HydrophobicContact CD1-CD2 3.71Å; L16-W167 HydrophobicContact CD1-CE3 4.32Å; L16-W167 HydrophobicContact CD1-CG 4.17Å; L16-W167 HydrophobicContact CD1-CH2 4Å; L16-W167 HydrophobicContact CD1-CZ2 3.35Å; L16-W167 HydrophobicContact CD1-CZ3 4.43Å; L16-W167 HydrophobicContact CD2-CH2 3.66Å; L16-W167 HydrophobicContact CD2-CZ2 3.78Å; L16-W167 HydrophobicContact CD2-CZ3 4.18Å; L16-W167 HydrophobicContact CG-CZ2 4.21Å; N164-W167 PolarHBondContact O-N 3.2Å; K165-W167 PolarHBondContact O-N 2.92Å; K165-W167 VanDerWaalsContact O-N 3.1Å; W167-V169 PolarHBondContact O-N 3.48Å; W167-I272 HydrophobicContact CE3-CD1 4.37Å; W167-I272 WeakPolarHBondContact O-CG2 3.45Å; W167-L310 HydrophobicContact CH2-CD1 3.41Å; W167-L310 VanDerWaalsContact CH2-CD1 3.41Å; W167-L310 HydrophobicContact CZ3-CD1 3.34Å; W167-L310 HydrophobicContact CZ3-CD2 4.08Å; W167-L310 HydrophobicContact CZ3-CG 4.35Å; W167-N332 HydrophobicContact CH2-CB 4.25Å; W167-K334 VanDerWaalsContact CB-NZ 3.34Å; W167-K334 HydrophobicContact CD2-CD 3.76Å; W167-K334 HydrophobicContact CE3-CD 4.15Å; W167-K334 HydrophobicContact CG-CD 4.04Å; W167-K334 HydrophobicContact CH2-CB 3.96Å; W167-K334 HydrophobicContact CZ2-CB 3.82Å; W167-K334 HydrophobicContact CZ2-CD 4.34Å; W167-K334 HydrophobicContact CZ2-CG 4.23Å; W167-K334 HydrophobicContact CZ3-CB 4.44Å; W167-T353 PolarHBondContact NE1-OG1 3.23Å
168D88.7Confident74.6Confident66 Ų6659.5 Ų59.535%0.35332%0.322SS..  trans-91.796.1-175.3-175-5.9000110.1K165 Q170 A171 H172K165-D168 PolarHBondContact O-N 3.07Å; D168-Q170 PolarHBondContact O-N 3.34Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.37Å; D168-Q170 VanDerWaalsContact OD1-CB 3.29Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.26Å; D168-Q170 PolarHBondContact OD1-N 2.87Å; D168-A171 HydrophobicContact CB-CB 3.74Å; D168-A171 WeakPolarHBondContact O-CA 3.31Å; D168-A171 WeakPolarHBondContact O-CB 3.22Å; D168-A171 PolarHBondContact O-N 3.28Å; D168-A171 PolarHBondContact OD1-N 3.47Å; D168-H172 PolarHBondContact O-CD2 2.95Å; D168-H172 PolarHBondContact O-N 3.07Å
169V89.8Confident77.7Confident6 Ų658.2 Ų58.24%0.03631%0.305CS..Hα-helixtrans-60-25.2176.9-92.20000113.6L12 W167 L173 N268L12-V169 HydrophobicContact CD1-CG1 4.46Å; W167-V169 PolarHBondContact O-N 3.48Å; V169-L173 PolarHBondContact O-N 2.79Å; V169-L173 VanDerWaalsContact O-N 3.1Å; V169-N268 HydrophobicContact CG1-CB 3.84Å
170Q90.5Very high80.7Confident90 Ų9051.2 Ų51.242%0.42127%0.274SS..Hα-helixtrans-72.4-43.5171.9-176.362.358.500110.3D168 H172 L173 T174 L267D168-Q170 PolarHBondContact O-N 3.34Å; D168-Q170 WeakPolarHBondContact OD1-CA 3.37Å; D168-Q170 VanDerWaalsContact OD1-CB 3.29Å; D168-Q170 WeakPolarHBondContact OD1-CB 3.26Å; D168-Q170 PolarHBondContact OD1-N 2.87Å; Q170-H172 VanDerWaalsContact C-N 3.28Å; Q170-H172 PolarHBondContact O-N 3.19Å; Q170-L173 PolarHBondContact O-N 3.26Å; Q170-T174 PolarHBondContact NE2-OG1 3.27Å; Q170-T174 WeakPolarHBondContact O-CB 3.42Å; Q170-T174 PolarHBondContact O-N 3.01Å; Q170-T174 PolarHBondContact O-OG1 2.96Å; Q170-L267 HydrophobicContact CB-CD2 4.49Å
171A91.4Very high83.7Confident20 Ų2045 Ų4517%0.16525%0.245CC..Hα-helixtrans-59.8-39.9174.100000111.7K165 D168 F175K165-A171 HydrophobicContact CB-CB 4.34Å; K165-A171 HydrophobicContact CG-CB 4.48Å; D168-A171 HydrophobicContact CB-CB 3.74Å; D168-A171 WeakPolarHBondContact O-CA 3.31Å; D168-A171 WeakPolarHBondContact O-CB 3.22Å; D168-A171 PolarHBondContact O-N 3.28Å; D168-A171 PolarHBondContact OD1-N 3.47Å; A171-F175 VanDerWaalsContact O-CB 3.25Å; A171-F175 WeakPolarHBondContact O-CB 3.29Å; A171-F175 PolarHBondContact O-N 3.21Å
172H93.4Very high86.6Confident1 Ų145.3 Ų45.31%0.00524%0.241CC..Hα-helixtrans-62.7-46.6176.3-58.1176.1000111.8P10 F15 K165 N166 D168 Q170 F175 I176P10-H172 HydrophobicContact CB-CB 4.16Å; P10-H172 HydrophobicContact CG-CB 4.38Å; F15-H172 WeakPolarHBondContact CB-CE1 3.43Å; F15-H172 WeakPolarHBondContact CB-NE2 3.36Å; F15-H172 HydrophobicContact CD1-CB 4.15Å; F15-H172 AromaticContact CD1-CD2 3.57Å; F15-H172 AromaticContact CD1-CG 3.71Å; F15-H172 AromaticContact CD1-NE2 3.98Å; F15-H172 HydrophobicContact CD2-CB 4.46Å; F15-H172 AromaticContact CD2-ND1 3.97Å; F15-H172 HydrophobicContact CE1-CB 3.98Å; F15-H172 HydrophobicContact CE2-CB 4.34Å; F15-H172 HydrophobicContact CG-CB 4.34Å; F15-H172 AromaticContact CG-CD2 3.8Å; F15-H172 AromaticContact CG-CE1 3.78Å; F15-H172 AromaticContact CG-CG 3.7Å; F15-H172 AromaticContact CG-ND1 3.68Å; F15-H172 AromaticContact CG-NE2 3.86Å; F15-H172 HydrophobicContact CZ-CB 4.07Å; K165-H172 PolarHBondContact O-CD2 3.35Å; K165-H172 PolarHBondContact O-NE2 2.93Å; N166-H172 VanDerWaalsContact C-NE2 3.28Å; N166-H172 PolarHBondContact O-CE1 2.85Å; N166-H172 PolarHBondContact O-NE2 3.17Å; N166-H172 VanDerWaalsContact O-NE2 3.17Å; D168-H172 PolarHBondContact O-CD2 2.95Å; D168-H172 PolarHBondContact O-N 3.07Å; Q170-H172 VanDerWaalsContact C-N 3.28Å; Q170-H172 PolarHBondContact O-N 3.19Å; H172-F175 PolarHBondContact O-N 2.94Å; H172-I176 WeakPolarHBondContact O-CG1 3.41Å; H172-I176 PolarHBondContact O-N 3.1Å
173L93.8Very high89.2Confident10 Ų1041.5 Ų41.55%0.05221%0.214CC..Hα-helixtrans-62.7-49.2177.8177.161.6000111.3P10 V169 Q170 F175 I176 Q177 L265 L267P10-L173 HydrophobicContact CG-CB 4.46Å; P10-L173 HydrophobicContact CG-CD1 4.49Å; V169-L173 PolarHBondContact O-N 2.79Å; V169-L173 VanDerWaalsContact O-N 3.1Å; Q170-L173 PolarHBondContact O-N 3.26Å; L173-F175 VanDerWaalsContact C-N 3.27Å; L173-F175 PolarHBondContact O-N 3.36Å; L173-I176 PolarHBondContact O-N 2.85Å; L173-Q177 HydrophobicContact CD1-CG 3.98Å; L173-Q177 HydrophobicContact CG-CG 4.31Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 WeakPolarHBondContact O-CG 3.2Å; L173-Q177 PolarHBondContact O-N 2.86Å; L173-L265 HydrophobicContact CD1-CB 4.36Å; L173-L265 HydrophobicContact CD1-CD2 4.45Å; L173-L267 HydrophobicContact CB-CD2 4.11Å; L173-L267 HydrophobicContact CD2-CB 4.45Å; L173-L267 HydrophobicContact CD2-CD2 3.62Å; L173-L267 HydrophobicContact CD2-CG 3.68Å
174T93.9Very high91Very high63 Ų6333.7 Ų33.739%0.38718%0.178SC..Hα-helixtrans-59.3-40.4178.7-58.10000111Q170 Q177 T178Q170-T174 PolarHBondContact NE2-OG1 3.27Å; Q170-T174 WeakPolarHBondContact O-CB 3.42Å; Q170-T174 PolarHBondContact O-N 3.01Å; Q170-T174 PolarHBondContact O-OG1 2.96Å; T174-Q177 PolarHBondContact O-N 3.44Å; T174-T178 VanDerWaalsContact O-CB 3.3Å; T174-T178 WeakPolarHBondContact O-CB 3.32Å; T174-T178 PolarHBondContact O-N 2.96Å; T174-T178 PolarHBondContact O-OG1 2.88Å
175F94.7Very high92Very high14 Ų1434 Ų346%0.06118%0.178CC..Hα-helixtrans-60.6-51.9175.8179-91.7000111.4F15 Y123 L124 Q126 L127 A171 H172 L173 Q177 T178 H179F15-F175 HydrophobicContact CE1-CD1 4.08Å; Y123-F175 HydrophobicContact CD1-CZ 4.1Å; Y123-F175 HydrophobicContact CE1-CE1 4.48Å; Y123-F175 AromaticContact CE1-CZ 3.91Å; Y123-F175 HydrophobicContact CE1-CZ 3.91Å; L124-F175 HydrophobicContact CD1-CD1 4.26Å; L124-F175 HydrophobicContact CD1-CE1 3.78Å; Q126-F175 HydrophobicContact CB-CE2 4.03Å; Q126-F175 HydrophobicContact CB-CZ 4.27Å; L127-F175 HydrophobicContact CB-CD2 4.33Å; L127-F175 HydrophobicContact CB-CE2 4.4Å; L127-F175 HydrophobicContact CD1-CB 4.02Å; L127-F175 HydrophobicContact CD1-CD2 4.11Å; L127-F175 HydrophobicContact CD1-CG 4.16Å; A171-F175 VanDerWaalsContact O-CB 3.25Å; A171-F175 WeakPolarHBondContact O-CB 3.29Å; A171-F175 PolarHBondContact O-N 3.21Å; H172-F175 PolarHBondContact O-N 2.94Å; L173-F175 VanDerWaalsContact C-N 3.27Å; L173-F175 PolarHBondContact O-N 3.36Å; F175-Q177 PolarHBondContact O-N 3.24Å; F175-T178 PolarHBondContact O-N 3.44Å; F175-H179 AromaticContact CD2-CD2 3.45Å; F175-H179 VanDerWaalsContact CD2-CD2 3.45Å; F175-H179 WeakPolarHBondContact CD2-CD2 3.36Å; F175-H179 AromaticContact CD2-NE2 3.9Å; F175-H179 AromaticContact CE2-CD2 3.41Å; F175-H179 VanDerWaalsContact CE2-CD2 3.41Å; F175-H179 WeakPolarHBondContact CE2-CD2 3.04Å; F175-H179 AromaticContact CE2-NE2 3.78Å; F175-H179 AromaticContact CZ-CD2 3.94Å; F175-H179 WeakPolarHBondContact O-CB 3.4Å; F175-H179 PolarHBondContact O-CD2 3.3Å; F175-H179 VanDerWaalsContact O-CD2 3.3Å; F175-H179 PolarHBondContact O-N 3.12Å
176I96Very high92.4Very high1 Ų130.6 Ų30.61%0.00516%0.164CC..Hα-helixtrans-60.8-45.6178.4-68-59.8000111P10 F15 H172 L173 T178 H179 L180 L183 L216 L217 L265P10-I176 HydrophobicContact CB-CG1 4.15Å; P10-I176 HydrophobicContact CG-CB 4.38Å; P10-I176 HydrophobicContact CG-CG1 3.93Å; F15-I176 HydrophobicContact CZ-CD1 3.97Å; F15-I176 HydrophobicContact CZ-CG1 3.96Å; H172-I176 WeakPolarHBondContact O-CG1 3.41Å; H172-I176 PolarHBondContact O-N 3.1Å; L173-I176 PolarHBondContact O-N 2.85Å; I176-T178 VanDerWaalsContact C-N 3.32Å; I176-T178 PolarHBondContact O-N 3.17Å; I176-H179 PolarHBondContact O-N 3.33Å; I176-L180 WeakPolarHBondContact O-CA 3.45Å; I176-L180 VanDerWaalsContact O-CB 3.24Å; I176-L180 WeakPolarHBondContact O-CB 3.37Å; I176-L180 PolarHBondContact O-N 3.38Å; I176-L183 HydrophobicContact CD1-CD1 3.77Å; I176-L216 HydrophobicContact CD1-CD1 4.36Å; I176-L217 HydrophobicContact CG1-CD2 4.44Å; I176-L217 HydrophobicContact CG2-CD2 4.04Å; I176-L265 HydrophobicContact CG2-CD1 3.84Å; I176-L265 HydrophobicContact CG2-CD2 3.93Å
177Q94.1Very high92.7Very high86 Ų8630.5 Ų30.540%0.40216%0.163SC..Hα-helixtrans-60.8-41.8179.5-74.2174.9-28.200112.4L173 T174 F175 L265L173-Q177 HydrophobicContact CD1-CG 3.98Å; L173-Q177 HydrophobicContact CG-CG 4.31Å; L173-Q177 WeakPolarHBondContact O-CB 3.41Å; L173-Q177 WeakPolarHBondContact O-CG 3.2Å; L173-Q177 PolarHBondContact O-N 2.86Å; T174-Q177 PolarHBondContact O-N 3.44Å; F175-Q177 PolarHBondContact O-N 3.24Å; Q177-L265 HydrophobicContact CG-CD1 4.39Å
178T94.4Very high93.1Very high89 Ų8930.2 Ų30.255%0.54616%0.162SC..Hα-helixtrans-70.8-43-178.5-55.30000111.5T174 F175 I176T174-T178 VanDerWaalsContact O-CB 3.3Å; T174-T178 WeakPolarHBondContact O-CB 3.32Å; T174-T178 PolarHBondContact O-N 2.96Å; T174-T178 PolarHBondContact O-OG1 2.88Å; F175-T178 PolarHBondContact O-N 3.44Å; I176-T178 VanDerWaalsContact C-N 3.32Å; I176-T178 PolarHBondContact O-N 3.17Å
179H93.8Very high93Very high38 Ų3829.9 Ų29.918%0.17616%0.158CC..Hα-helixtrans-1006.2-173.3-63.6-70.9000114.3Y123 F175 I176 P181 E182 L183Y123-H179 HydrophobicContact CE1-CB 3.71Å; Y123-H179 AromaticContact CE1-CG 3.94Å; Y123-H179 AromaticContact CZ-ND1 3.93Å; Y123-H179 PolarHBondContact OH-ND1 3.09Å; F175-H179 AromaticContact CD2-CD2 3.45Å; F175-H179 VanDerWaalsContact CD2-CD2 3.45Å; F175-H179 WeakPolarHBondContact CD2-CD2 3.36Å; F175-H179 AromaticContact CD2-NE2 3.9Å; F175-H179 AromaticContact CE2-CD2 3.41Å; F175-H179 VanDerWaalsContact CE2-CD2 3.41Å; F175-H179 WeakPolarHBondContact CE2-CD2 3.04Å; F175-H179 AromaticContact CE2-NE2 3.78Å; F175-H179 AromaticContact CZ-CD2 3.94Å; F175-H179 WeakPolarHBondContact O-CB 3.4Å; F175-H179 PolarHBondContact O-CD2 3.3Å; F175-H179 VanDerWaalsContact O-CD2 3.3Å; F175-H179 PolarHBondContact O-N 3.12Å; I176-H179 PolarHBondContact O-N 3.33Å; H179-P181 VanDerWaalsContact C-CD 3.45Å; H179-P181 VanDerWaalsContact C-N 3.34Å; H179-E182 IonicContact CE1-OE1 3.77Å; H179-E182 IonicContact ND1-OE1 3.82Å; H179-E182 PolarHBondContact ND1-OE1 2.92Å; H179-E182 VanDerWaalsContact ND1-OE1 3.17Å; H179-E182 PolarHBondContact O-N 3.13Å; H179-E182 VanDerWaalsContact O-N 3.1Å; H179-L183 WeakPolarHBondContact O-CG 3.4Å; H179-L183 PolarHBondContact O-N 2.98Å
180L94.8Very high92.6Very high2 Ų231 Ų311%0.0117%0.166CC..Hα-helixtrans-51.2-45.9179.7-177.464.5000112.9I176 E182 L183 L184 Q258 L261 R262 L265I176-L180 WeakPolarHBondContact O-CA 3.45Å; I176-L180 VanDerWaalsContact O-CB 3.24Å; I176-L180 WeakPolarHBondContact O-CB 3.37Å; I176-L180 PolarHBondContact O-N 3.38Å; L180-E182 VanDerWaalsContact C-N 3.35Å; L180-E182 PolarHBondContact O-N 3.15Å; L180-L183 PolarHBondContact O-N 2.87Å; L180-L184 HydrophobicContact CD1-CD1 4.11Å; L180-L184 HydrophobicContact CD1-CD2 4.37Å; L180-L184 HydrophobicContact CD1-CG 4.03Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 HydrophobicContact CG-CG 4.36Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 2.88Å; L180-Q258 HydrophobicContact CD2-CG 4.06Å; L180-Q258 HydrophobicContact CG-CG 4.37Å; L180-L261 HydrophobicContact CD1-CD1 3.88Å; L180-L261 HydrophobicContact CD2-CB 3.95Å; L180-R262 HydrophobicContact CD2-CG 3.79Å; L180-L265 HydrophobicContact CD2-CD1 4.23Å
181P93.2Very high92Very high46 Ų4630.3 Ų30.330%0.29918%0.183SC..Hα-helixtrans-61-42.6178.9-22.735.4000112.7H179 L184 E185H179-P181 VanDerWaalsContact C-CD 3.45Å; H179-P181 VanDerWaalsContact C-N 3.34Å; P181-L184 PolarHBondContact O-N 2.82Å; P181-E185 VanDerWaalsContact O-CB 3.25Å; P181-E185 WeakPolarHBondContact O-CB 3.21Å; P181-E185 PolarHBondContact O-N 2.99Å
182E93.2Very high91.5Very high62 Ų6231.7 Ų31.729%0.2919%0.186SC..Hα-helixtrans-67.7-41179.6-64.2178.7-112.200111.5M30 Y123 H179 L180 E185 L186M30-E182 WeakPolarHBondContact CB-OE2 3.43Å; M30-E182 HydrophobicContact CE-CB 4.37Å; M30-E182 WeakPolarHBondContact CE-O 3.33Å; M30-E182 HydrophobicContact CG-CG 4.47Å; M30-E182 HydrophobicContact SD-CB 4.1Å; Y123-E182 HydrophobicContact CE2-CB 4.05Å; Y123-E182 PolarHBondContact OH-OE1 3.12Å; Y123-E182 PolarHBondContact OH-OE2 3.08Å; H179-E182 IonicContact CE1-OE1 3.77Å; H179-E182 IonicContact ND1-OE1 3.82Å; H179-E182 PolarHBondContact ND1-OE1 2.92Å; H179-E182 VanDerWaalsContact ND1-OE1 3.17Å; H179-E182 PolarHBondContact O-N 3.13Å; H179-E182 VanDerWaalsContact O-N 3.1Å; L180-E182 VanDerWaalsContact C-N 3.35Å; L180-E182 PolarHBondContact O-N 3.15Å; E182-E185 PolarHBondContact O-N 3.17Å; E182-L186 WeakPolarHBondContact O-CG 3.23Å; E182-L186 PolarHBondContact O-N 3.15Å
183L94.9Very high90.8Very high4 Ų432.9 Ų32.92%0.02119%0.192CC..Hα-helixtrans-61.5-43.9175.6-70.7170.9000111.6L120 Y123 I176 H179 L180 L187 L216L120-L183 HydrophobicContact CD2-CB 4.33Å; L120-L183 HydrophobicContact CD2-CD2 3.83Å; Y123-L183 HydrophobicContact CD1-CD2 3.42Å; Y123-L183 VanDerWaalsContact CD1-CD2 3.42Å; Y123-L183 HydrophobicContact CD1-CG 4.19Å; Y123-L183 HydrophobicContact CE1-CD2 3.98Å; Y123-L183 HydrophobicContact CE1-CG 4.26Å; Y123-L183 HydrophobicContact CG-CD2 4.02Å; I176-L183 HydrophobicContact CD1-CD1 3.77Å; H179-L183 WeakPolarHBondContact O-CG 3.4Å; H179-L183 PolarHBondContact O-N 2.98Å; L180-L183 PolarHBondContact O-N 2.87Å; L183-L187 WeakPolarHBondContact O-CG 3.17Å; L183-L216 HydrophobicContact CD1-CD1 4.38Å; L183-L216 HydrophobicContact CD2-CD1 4.17Å
184L94.4Very high90Very high0 Ų034 Ų340%020%0.2CC..Hα-helixtrans-70.5-38.3177.4-62.9179.1000111.6L180 P181 L186 L187 V188 L205 L213 L254 F257 Q258 L261L180-L184 HydrophobicContact CD1-CD1 4.11Å; L180-L184 HydrophobicContact CD1-CD2 4.37Å; L180-L184 HydrophobicContact CD1-CG 4.03Å; L180-L184 HydrophobicContact CG-CD1 4.08Å; L180-L184 HydrophobicContact CG-CG 4.36Å; L180-L184 VanDerWaalsContact O-CG 3.3Å; L180-L184 WeakPolarHBondContact O-CG 3.36Å; L180-L184 PolarHBondContact O-N 2.88Å; P181-L184 PolarHBondContact O-N 2.82Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 PolarHBondContact O-N 2.89Å; L184-L187 WeakPolarHBondContact O-CA 3.32Å; L184-L187 WeakPolarHBondContact O-CB 3.44Å; L184-L187 PolarHBondContact O-N 3.2Å; L184-V188 PolarHBondContact O-N 3.26Å; L184-L205 HydrophobicContact CD2-CD1 4Å; L184-L213 HydrophobicContact CD2-CD1 3.69Å; L184-L213 HydrophobicContact CD2-CD2 4.29Å; L184-L254 HydrophobicContact CB-CD1 3.72Å; L184-L254 HydrophobicContact CD1-CD1 4.16Å; L184-F257 HydrophobicContact CD1-CD1 4.21Å; L184-F257 HydrophobicContact CD2-CD1 4Å; L184-F257 HydrophobicContact CD2-CE1 3.8Å; L184-Q258 HydrophobicContact CD1-CB 3.72Å; L184-Q258 HydrophobicContact CD1-CG 3.94Å; L184-L261 HydrophobicContact CD2-CD1 4.35Å
185E92.1Very high88.6Confident32 Ų3237.7 Ų37.715%0.1523%0.229CC..Hα-helixtrans-59.8-38.5176.1-175-169.4134.600112.1M30 R34 P181 E182 L187 V188 L193 V199M30-E185 HydrophobicContact CE-CB 3.74Å; M30-E185 HydrophobicContact CE-CG 3.73Å; M30-E185 WeakPolarHBondContact CE-OE1 3.35Å; R34-E185 IonicContact CZ-OE1 2.85Å; R34-E185 IonicContact NE-OE1 2.65Å; R34-E185 PolarHBondContact NE-OE1 3.33Å; R34-E185 IonicContact NH2-OE1 3.21Å; R34-E185 PolarHBondContact NH2-OE1 3.08Å; R34-E185 IonicContact NH2-OE2 3.95Å; P181-E185 VanDerWaalsContact O-CB 3.25Å; P181-E185 WeakPolarHBondContact O-CB 3.21Å; P181-E185 PolarHBondContact O-N 2.99Å; E182-E185 PolarHBondContact O-N 3.17Å; E185-L187 PolarHBondContact O-N 3Å; E185-L187 VanDerWaalsContact O-N 3.15Å; E185-V188 PolarHBondContact O-N 3.47Å; E185-L193 HydrophobicContact CG-CD2 4.3Å; E185-V199 HydrophobicContact CB-CG2 4.25Å; E185-V199 HydrophobicContact CG-CG2 3.73Å
186L92.3Very high87.1Confident3 Ų340.8 Ų40.82%0.01625%0.253CS..Hα-helixtrans-59.4-25173.9-74.5177.9000112.9M30 L33 R41 Y123 E182 L184M30-L186 HydrophobicContact CE-CD2 3.76Å; M30-L186 HydrophobicContact CE-CG 3.77Å; M30-L186 HydrophobicContact SD-CD1 4.23Å; M30-L186 HydrophobicContact SD-CD2 3.6Å; M30-L186 HydrophobicContact SD-CG 3.69Å; L33-L186 HydrophobicContact CB-CD2 3.85Å; R41-L186 PolarHBondContact NH1-O 3.39Å; R41-L186 PolarHBondContact NH2-O 3.32Å; Y123-L186 HydrophobicContact CD2-CD1 3.75Å; Y123-L186 HydrophobicContact CG-CD1 3.99Å; E182-L186 WeakPolarHBondContact O-CG 3.23Å; E182-L186 PolarHBondContact O-N 3.15Å; L184-L186 VanDerWaalsContact C-N 3.29Å; L184-L186 PolarHBondContact O-N 2.89Å
187L93.4Very high85.5Confident2 Ų241.3 Ų41.31%0.0126%0.258CS..Hα-helixtrans-94.9-9.2-177.4-58.5177.7000113.6L116 L120 L183 L184 E185 L205 A209 S212 L213L116-L187 HydrophobicContact CB-CD2 3.99Å; L116-L187 HydrophobicContact CD2-CD2 4.27Å; L120-L187 HydrophobicContact CD1-CD1 4.32Å; L120-L187 HydrophobicContact CD1-CD2 4.21Å; L120-L187 HydrophobicContact CD2-CD1 4.27Å; L120-L187 HydrophobicContact CD2-CD2 4.19Å; L120-L187 HydrophobicContact CD2-CG 4.24Å; L120-L187 HydrophobicContact CG-CD2 4.14Å; L183-L187 WeakPolarHBondContact O-CG 3.17Å; L184-L187 WeakPolarHBondContact O-CA 3.32Å; L184-L187 WeakPolarHBondContact O-CB 3.44Å; L184-L187 PolarHBondContact O-N 3.2Å; E185-L187 PolarHBondContact O-N 3Å; E185-L187 VanDerWaalsContact O-N 3.15Å; L187-L205 HydrophobicContact CB-CD2 4.01Å; L187-A209 HydrophobicContact CB-CB 3.96Å; L187-S212 VanDerWaalsContact CD2-OG 3.28Å; L187-S212 WeakPolarHBondContact CD2-OG 3.31Å; L187-L213 HydrophobicContact CD1-CD1 4.09Å; L187-L213 HydrophobicContact CD1-CD2 3.49Å; L187-L213 VanDerWaalsContact CD1-CD2 3.49Å; L187-L213 HydrophobicContact CD1-CG 3.51Å
188V91.4Very high84.5Confident0 Ų043.7 Ų43.70%027%0.269CS..SBendtrans-70.3141.8175.71760000110.1R41 L184 E185 Q192 L193 L205 L254R41-V188 PolarHBondContact NH1-O 3.02Å; L184-V188 PolarHBondContact O-N 3.26Å; E185-V188 PolarHBondContact O-N 3.47Å; V188-Q192 HydrophobicContact CG1-CB 3.68Å; V188-L193 HydrophobicContact CG1-CD2 4.27Å; V188-L193 HydrophobicContact CG1-CG 4.47Å; V188-L205 HydrophobicContact CG2-CD2 3.91Å; V188-L254 HydrophobicContact CG2-CD1 4.19Å; V188-L254 HydrophobicContact CG2-CD2 3.85Å
189E86.9Confident83.7Confident59 Ų5942.1 Ų42.128%0.27626%0.259SS..  trans-62.1139.5177.1-74.4-59.2149.700111.6G191 Q192 T206E189-G191 PolarHBondContact O-N 2.75Å; E189-G191 VanDerWaalsContact O-N 3.08Å; E189-Q192 HydrophobicContact CB-CG 4.33Å; E189-Q192 PolarHBondContact O-N 3.36Å; E189-T206 HydrophobicContact CG-CG2 4.46Å
190P82.3Confident83Confident30 Ų3044.4 Ų44.420%0.19527%0.272CS..G310 helixtrans-56.8-31.6-175.7-25.434.6000114.2R41 Q192 L193R41-P190 HydrophobicContact CB-CG 3.97Å; P190-Q192 PolarHBondContact O-N 3.49Å; P190-L193 PolarHBondContact O-N 3.23Å
191G77.1Confident81.9Confident75 Ų7555.8 Ų55.877%0.77332%0.315SS*.G310 helixtrans-69.2-11.9177.800000114.8E189E189-G191 PolarHBondContact O-N 2.75Å; E189-G191 VanDerWaalsContact O-N 3.08Å
192Q82Confident81.2Confident48 Ų4860.1 Ų60.122%0.22434%0.336CS..G310 helixtrans-100.87.5179.1-57179.926.600112.9V188 E189 P190 L200 S203 H204V188-Q192 HydrophobicContact CG1-CB 3.68Å; E189-Q192 HydrophobicContact CB-CG 4.33Å; E189-Q192 PolarHBondContact O-N 3.36Å; P190-Q192 PolarHBondContact O-N 3.49Å; Q192-L200 WeakPolarHBondContact O-CB 3.36Å; Q192-L200 VanDerWaalsContact O-CG 3.23Å; Q192-L200 WeakPolarHBondContact O-CG 3.37Å; Q192-L200 PolarHBondContact O-N 3.41Å; Q192-S203 PolarHBondContact O-OG 2.64Å; Q192-S203 VanDerWaalsContact OE1-CA 3.3Å; Q192-H204 PolarHBondContact OE1-O 2.87Å
193L78.3Confident81Confident26 Ų2657.3 Ų57.314%0.13632%0.323CS..BIsolated β-bridgetrans-103.1140.3175.2-61.7172.2000109.4R34 E185 V188 P190 V199R34-L193 HydrophobicContact CG-CD1 4.37Å; E185-L193 HydrophobicContact CG-CD2 4.3Å; V188-L193 HydrophobicContact CG1-CD2 4.27Å; V188-L193 HydrophobicContact CG1-CG 4.47Å; P190-L193 PolarHBondContact O-N 3.23Å; L193-V199 HydrophobicContact CD2-CG2 4.13Å
194S75.7Confident80.8Confident33 Ų3359.9 Ų59.923%0.23134%0.335CS..  trans-63.1166.5171.472.80000111.2S196 G197 Q198S194-S196 PolarHBondContact O-N 3.49Å; S194-S196 VanDerWaalsContact O-N 3.11Å; S194-S196 PolarHBondContact OG-N 2.81Å; S194-S196 PolarHBondContact OG-OG 2.58Å; S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.22Å; S194-G197 PolarHBondContact OG-N 2.85Å; S194-Q198 PolarHBondContact N-O 3.14Å; S194-Q198 WeakPolarHBondContact OG-CB 3.44Å; S194-Q198 PolarHBondContact OG-N 3.33Å; S194-Q198 PolarHBondContact OG-O 3.31Å
195S64.8Low80.7Confident141 Ų14160 Ų6099%0.98634%0.335SS*.THydrogen-bonded Turntrans-58.3-23.2171.955.40000113.4
196S62.9Low80.7Confident80 Ų8060.3 Ų60.356%0.55934%0.34SS*.THydrogen-bonded Turntrans-87.9-1.8173.158.50000114S194S194-S196 PolarHBondContact O-N 3.49Å; S194-S196 VanDerWaalsContact O-N 3.11Å; S194-S196 PolarHBondContact OG-N 2.81Å; S194-S196 PolarHBondContact OG-OG 2.58Å
197G63.3Low80.6Confident11 Ų1163.1 Ų63.111%0.11336%0.359CS..SBendtrans79.121-179.400000114.2S194S194-G197 WeakPolarHBondContact O-CA 3.41Å; S194-G197 PolarHBondContact O-N 3.22Å; S194-G197 PolarHBondContact OG-N 2.85Å
198Q74.1Confident80.5Confident136 Ų13668.2 Ų68.264%0.63638%0.383SS*.PPolyproline II helixtrans-88.9139.7174.1-65.7-179.4-39.600110.4S194 L200S194-Q198 PolarHBondContact N-O 3.14Å; S194-Q198 WeakPolarHBondContact OG-CB 3.44Å; S194-Q198 PolarHBondContact OG-N 3.33Å; S194-Q198 PolarHBondContact OG-O 3.31Å; Q198-L200 PolarHBondContact O-N 2.86Å
199V77.3Confident80.6Confident56 Ų5668.2 Ų68.234%0.33938%0.383SS..BIsolated β-bridgetrans-61.1128.9174.3174.50000110.5E185 L193 S203 L254E185-V199 HydrophobicContact CB-CG2 4.25Å; E185-V199 HydrophobicContact CG-CG2 3.73Å; L193-V199 HydrophobicContact CD2-CG2 4.13Å; V199-S203 VanDerWaalsContact CG1-OG 3.27Å; V199-S203 WeakPolarHBondContact CG1-OG 3.29Å; V199-L254 HydrophobicContact CB-CD2 4.4Å; V199-L254 HydrophobicContact CG1-CD2 3.24Å; V199-L254 HydrophobicContact CG2-CD2 4.28Å
200L78.9Confident80.9Confident87 Ų8765.5 Ų65.546%0.45537%0.371SS..PPolyproline II helixtrans-72.3150.6173.3-65.1174.7000110.9Q192 Q198 D202 S203Q192-L200 WeakPolarHBondContact O-CB 3.36Å; Q192-L200 VanDerWaalsContact O-CG 3.23Å; Q192-L200 WeakPolarHBondContact O-CG 3.37Å; Q192-L200 PolarHBondContact O-N 3.41Å; Q198-L200 PolarHBondContact O-N 2.86Å; L200-D202 PolarHBondContact O-N 2.85Å; L200-D202 VanDerWaalsContact O-N 3.14Å; L200-S203 PolarHBondContact N-OG 2.87Å; L200-S203 VanDerWaalsContact N-OG 3.16Å; L200-S203 WeakPolarHBondContact O-CB 3.46Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-S203 PolarHBondContact O-OG 3.02Å
201R71.6Confident81.5Confident240 Ų24068.7 Ų68.791%0.90638%0.383SS*.THydrogen-bonded Turntrans-56.6-33-175.6-79.2-171.6173.6-170.4-1.3113.8
202D78Confident82.3Confident137 Ų13765.2 Ų65.273%0.73335%0.347SS*.THydrogen-bonded Turntrans-10133.9-180-55.1-39.9000112.1L200 H204L200-D202 PolarHBondContact O-N 2.85Å; L200-D202 VanDerWaalsContact O-N 3.14Å; D202-H204 PolarHBondContact O-CD2 3.14Å; D202-H204 PolarHBondContact O-NE2 2.7Å
203S88.6Confident83Confident3 Ų363.1 Ų63.12%0.02134%0.337CS..  trans-71.9144.5178.1-59.90000111.5Q192 V199 L200 L254Q192-S203 PolarHBondContact O-OG 2.64Å; Q192-S203 VanDerWaalsContact OE1-CA 3.3Å; V199-S203 VanDerWaalsContact CG1-OG 3.27Å; V199-S203 WeakPolarHBondContact CG1-OG 3.29Å; L200-S203 PolarHBondContact N-OG 2.87Å; L200-S203 VanDerWaalsContact N-OG 3.16Å; L200-S203 WeakPolarHBondContact O-CB 3.46Å; L200-S203 PolarHBondContact O-N 2.86Å; L200-S203 PolarHBondContact O-OG 3.02Å; S203-L254 WeakPolarHBondContact O-CB 3.23Å; S203-L254 PolarHBondContact O-N 3.34Å
204H91.3Very high83.7Confident59 Ų5962.4 Ų62.427%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-130150.6-178-61.3-80.4000111.6Q192 D202 Y252Q192-H204 PolarHBondContact OE1-O 2.87Å; D202-H204 PolarHBondContact O-CD2 3.14Å; D202-H204 PolarHBondContact O-NE2 2.7Å; H204-Y252 CarbonylContact C-O 3.46Å; H204-Y252 WeakPolarHBondContact CA-O 3.37Å; H204-Y252 WeakPolarHBondContact CB-O 3.33Å
205L91.7Very high84.6Confident1 Ų161.3 Ų61.31%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-103.5132.5172.2-65.1172.4000110.2L184 L187 V188 A209 V210 S251 Y252 L254 F257L184-L205 HydrophobicContact CD2-CD1 4Å; L187-L205 HydrophobicContact CB-CD2 4.01Å; V188-L205 HydrophobicContact CG2-CD2 3.91Å; L205-A209 HydrophobicContact CB-CB 4.4Å; L205-A209 HydrophobicContact CD2-CB 4.33Å; L205-V210 HydrophobicContact CB-CG2 4.35Å; L205-S251 CarbonylContact O-C 3.57Å; L205-S251 WeakPolarHBondContact O-CA 3.08Å; L205-S251 VanDerWaalsContact O-CB 3.28Å; L205-S251 WeakPolarHBondContact O-CB 3.3Å; L205-Y252 PolarHBondContact N-O 3.22Å; L205-Y252 PolarHBondContact O-N 3.34Å; L205-L254 HydrophobicContact CD1-CD1 3.71Å; L205-L254 HydrophobicContact CD2-CD1 4.07Å; L205-L254 HydrophobicContact CG-CD1 3.83Å; L205-F257 HydrophobicContact CD1-CD1 3.5Å; L205-F257 VanDerWaalsContact CD1-CD1 3.5Å; L205-F257 HydrophobicContact CD1-CE1 3.94Å; L205-F257 HydrophobicContact CD1-CG 4.2Å
206T92.2Very high86.1Confident40 Ų4054.6 Ų54.625%0.24528%0.279CS..EExtended strand (participates in β ladder)trans-72163.8173.960.80000110.8E189 E208 A209 V210E189-T206 HydrophobicContact CG-CG2 4.46Å; T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.25Å; T206-A209 WeakPolarHBondContact O-CB 3.14Å; T206-A209 PolarHBondContact O-N 2.79Å; T206-A209 WeakPolarHBondContact OG1-CB 3.13Å; T206-A209 PolarHBondContact OG1-N 3.26Å; T206-V210 PolarHBondContact O-N 2.79Å; T206-V210 VanDerWaalsContact O-N 3.17Å
207S90.8Very high87.6Confident61 Ų6151 Ų5143%0.42725%0.253SS..Hα-helixtrans-62.8-35175-63.80000112V210 E211 C250S207-V210 PolarHBondContact O-N 2.78Å; S207-E211 PolarHBondContact O-N 3.04Å; S207-C250 PolarHBondContact OG-O 2.79Å
208E91.4Very high89.1Confident110 Ų11051.3 Ų51.351%0.51425%0.252SS..Hα-helixtrans-64.1-41.6174.8-63.6175.1-174.600112.1T206 V210 E211 S212T206-E208 VanDerWaalsContact C-N 3.26Å; T206-E208 PolarHBondContact O-N 3.25Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.5Å; E208-E211 WeakPolarHBondContact O-CB 3.33Å; E208-E211 PolarHBondContact O-N 3.15Å; E208-S212 PolarHBondContact O-N 3.35Å
209A92.7Very high90Very high0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-58.9-45.3173.100000111.7L187 L205 T206 E211 S212 L213L187-A209 HydrophobicContact CB-CB 3.96Å; L205-A209 HydrophobicContact CB-CB 4.4Å; L205-A209 HydrophobicContact CD2-CB 4.33Å; T206-A209 WeakPolarHBondContact O-CB 3.14Å; T206-A209 PolarHBondContact O-N 2.79Å; T206-A209 WeakPolarHBondContact OG1-CB 3.13Å; T206-A209 PolarHBondContact OG1-N 3.26Å; A209-E211 VanDerWaalsContact C-N 3.33Å; A209-E211 PolarHBondContact O-N 3.04Å; A209-S212 PolarHBondContact O-N 2.97Å; A209-S212 PolarHBondContact O-OG 2.87Å; A209-L213 PolarHBondContact O-N 3.11Å
210V93.5Very high90.7Very high2 Ų242.4 Ų42.41%0.01221%0.207CC..Hα-helixtrans-66.8-34.4176.8176.50000112L205 T206 S207 E208 L213 V230 H231 L234 Y252 F257L205-V210 HydrophobicContact CB-CG2 4.35Å; T206-V210 PolarHBondContact O-N 2.79Å; T206-V210 VanDerWaalsContact O-N 3.17Å; S207-V210 PolarHBondContact O-N 2.78Å; E208-V210 VanDerWaalsContact C-N 3.34Å; E208-V210 PolarHBondContact O-N 3.5Å; V210-L213 WeakPolarHBondContact O-CB 2.93Å; V210-L213 PolarHBondContact O-N 3.19Å; V210-V230 HydrophobicContact CG1-CG1 4.39Å; V210-H231 HydrophobicContact CG1-CB 4.35Å; V210-L234 HydrophobicContact CG1-CD1 3.56Å; V210-Y252 HydrophobicContact CB-CE2 4.38Å; V210-Y252 HydrophobicContact CG2-CD2 3.61Å; V210-Y252 HydrophobicContact CG2-CE2 3.85Å; V210-Y252 HydrophobicContact CG2-CG 4.27Å; V210-F257 HydrophobicContact CG1-CE2 4.36Å; V210-F257 HydrophobicContact CG1-CZ 4.16Å; V210-F257 HydrophobicContact CG2-CE2 4.22Å; V210-F257 HydrophobicContact CG2-CZ 4.04Å
211E94.4Very high91.1Very high97 Ų9738.3 Ų38.345%0.45319%0.185SC..Hα-helixtrans-61.5-43.9172.3-175.4169.8-172.400111.7S207 E208 A209 L213 S214 H231S207-E211 PolarHBondContact O-N 3.04Å; E208-E211 WeakPolarHBondContact O-CB 3.33Å; E208-E211 PolarHBondContact O-N 3.15Å; A209-E211 VanDerWaalsContact C-N 3.33Å; A209-E211 PolarHBondContact O-N 3.04Å; E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 3.47Å; E211-S214 WeakPolarHBondContact O-CB 3.18Å; E211-S214 PolarHBondContact O-N 2.84Å; E211-S214 PolarHBondContact O-OG 3.32Å; E211-S214 VanDerWaalsContact O-OG 3.08Å; E211-H231 HydrophobicContact CB-CB 4.25Å
212S95Very high91.3Very high2 Ų229.7 Ų29.71%0.01416%0.162CC..Hα-helixtrans-59.7-32.6178.578.60000113.8L116 L120 L187 E208 A209 S214 L215L116-S212 VanDerWaalsContact CB-CB 3.41Å; L120-S212 WeakPolarHBondContact CD1-O 3.27Å; L187-S212 VanDerWaalsContact CD2-OG 3.28Å; L187-S212 WeakPolarHBondContact CD2-OG 3.31Å; E208-S212 PolarHBondContact O-N 3.35Å; A209-S212 PolarHBondContact O-N 2.97Å; A209-S212 PolarHBondContact O-OG 2.87Å; S212-S214 PolarHBondContact O-N 2.79Å; S212-S214 VanDerWaalsContact O-N 3.11Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.38Å; S212-L215 PolarHBondContact O-N 2.89Å
213L95.7Very high90.6Very high3 Ų331.8 Ų31.82%0.01617%0.167CC..G310 helixtrans-62.1-19174.4-71.3171.8000113.1L120 L184 L187 A209 V210 E211 L215 L216 L217 F257L120-L213 HydrophobicContact CD1-CD2 4.17Å; L120-L213 HydrophobicContact CD2-CD2 4.45Å; L184-L213 HydrophobicContact CD2-CD1 3.69Å; L184-L213 HydrophobicContact CD2-CD2 4.29Å; L187-L213 HydrophobicContact CD1-CD1 4.09Å; L187-L213 HydrophobicContact CD1-CD2 3.49Å; L187-L213 VanDerWaalsContact CD1-CD2 3.49Å; L187-L213 HydrophobicContact CD1-CG 3.51Å; A209-L213 PolarHBondContact O-N 3.11Å; V210-L213 WeakPolarHBondContact O-CB 2.93Å; V210-L213 PolarHBondContact O-N 3.19Å; E211-L213 VanDerWaalsContact C-N 3.26Å; E211-L213 PolarHBondContact O-N 3.47Å; L213-L215 PolarHBondContact O-N 3.08Å; L213-L216 PolarHBondContact O-N 3.09Å; L213-L217 PolarHBondContact O-N 3.46Å; L213-F257 HydrophobicContact CD1-CE1 3.61Å; L213-F257 HydrophobicContact CD1-CZ 3.95Å
214S94.4Very high89.3Confident12 Ų1233.6 Ų33.68%0.08418%0.18CC..G310 helixtrans-69.3-11.5176.2-54.30000113.3R11 E211 S212 L216 L217 V230 H231R11-S214 WeakPolarHBondContact CD-O 3.47Å; R11-S214 PolarHBondContact NH1-O 3.22Å; E211-S214 WeakPolarHBondContact O-CB 3.18Å; E211-S214 PolarHBondContact O-N 2.84Å; E211-S214 PolarHBondContact O-OG 3.32Å; E211-S214 VanDerWaalsContact O-OG 3.08Å; S212-S214 PolarHBondContact O-N 2.79Å; S212-S214 VanDerWaalsContact O-N 3.11Å; S214-L216 VanDerWaalsContact C-N 3.31Å; S214-L217 WeakPolarHBondContact CA-O 3.49Å; S214-V230 PolarHBondContact OG-N 2.87Å; S214-H231 PolarHBondContact OG-N 2.95Å; S214-H231 PolarHBondContact OG-ND1 2.96Å
215L94.3Very high88.2Confident9 Ų940.8 Ų40.85%0.04721%0.205CC..G310 helixtrans-59.4-45.8163.5179.472.1000110.5R11 P14 F77 Q117 L120 F121 S212 L213R11-L215 WeakPolarHBondContact CD-O 3.42Å; R11-L215 PolarHBondContact NH1-O 2.95Å; P14-L215 WeakPolarHBondContact CG-O 3.27Å; F77-L215 HydrophobicContact CE2-CD1 4.25Å; F77-L215 HydrophobicContact CE2-CD2 3.98Å; Q117-L215 HydrophobicContact CB-CB 4.49Å; Q117-L215 HydrophobicContact CB-CD2 4.06Å; Q117-L215 HydrophobicContact CG-CB 4.23Å; Q117-L215 VanDerWaalsContact O-CD2 3.24Å; Q117-L215 WeakPolarHBondContact O-CD2 3.35Å; L120-L215 HydrophobicContact CB-CD2 4.34Å; F121-L215 HydrophobicContact CB-CD2 4.24Å; S212-L215 VanDerWaalsContact O-CB 3.29Å; S212-L215 WeakPolarHBondContact O-CB 3.38Å; S212-L215 PolarHBondContact O-N 2.89Å; L213-L215 PolarHBondContact O-N 3.08Å
216L95.3Very high87.9Confident1 Ų144.7 Ų44.71%0.00523%0.228CC..THydrogen-bonded Turntrans-99-29.2-170.8-61.5-176.1000113.6P10 R11 P14 L120 L124 I176 L183 L213 S214P10-L216 CarbonylContact C-O 3.55Å; P10-L216 WeakPolarHBondContact CA-O 3.34Å; R11-L216 PolarHBondContact N-O 3.33Å; P14-L216 HydrophobicContact CB-CD2 4.14Å; L120-L216 HydrophobicContact CB-CD1 4.06Å; L120-L216 HydrophobicContact CB-CG 4.46Å; L120-L216 HydrophobicContact CD1-CD1 4.49Å; L120-L216 HydrophobicContact CD2-CD1 4.38Å; L124-L216 HydrophobicContact CD1-CD2 3.92Å; L124-L216 HydrophobicContact CD2-CD2 3.77Å; L124-L216 HydrophobicContact CG-CD2 4.34Å; I176-L216 HydrophobicContact CD1-CD1 4.36Å; L183-L216 HydrophobicContact CD1-CD1 4.38Å; L183-L216 HydrophobicContact CD2-CD1 4.17Å; L213-L216 PolarHBondContact O-N 3.09Å; S214-L216 VanDerWaalsContact C-N 3.31Å
217L95.4Very high87.8Confident3 Ų344.2 Ų44.22%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-124.4142.4-169.9-58.8179.4000111.1V8 W9 I176 L213 S214 V230 L261 L265V8-L217 HydrophobicContact CG1-CB 4.06Å; V8-L217 HydrophobicContact CG1-CD1 4.28Å; W9-L217 WeakPolarHBondContact O-CA 3.34Å; I176-L217 HydrophobicContact CG1-CD2 4.44Å; I176-L217 HydrophobicContact CG2-CD2 4.04Å; L213-L217 PolarHBondContact O-N 3.46Å; S214-L217 WeakPolarHBondContact CA-O 3.49Å; L217-V230 HydrophobicContact CB-CG2 3.46Å; L217-V230 VanDerWaalsContact CB-CG2 3.46Å; L217-L261 HydrophobicContact CD1-CD1 4.41Å; L217-L261 HydrophobicContact CD1-CD2 4.44Å; L217-L265 HydrophobicContact CD2-CD2 4.14Å
218E94.3Very high87.8Confident19 Ų1943.4 Ų43.49%0.08922%0.215CC..EExtended strand (participates in β ladder)trans-140.7172.9168.769.8-172.8-171.400108.2V8 W9 R11 V227V8-E218 CarbonylContact C-O 3.57Å; V8-E218 WeakPolarHBondContact CA-O 3.18Å; W9-E218 HydrophobicContact CZ2-CG 4.22Å; W9-E218 PolarHBondContact N-O 3.32Å; W9-E218 PolarHBondContact NE1-OE1 3.1Å; W9-E218 PolarHBondContact O-N 2.98Å; W9-E218 VanDerWaalsContact O-N 3.09Å; R11-E218 HydrophobicContact CG-CB 3.81Å; R11-E218 HydrophobicContact CG-CG 3.7Å; R11-E218 IonicContact NE-OE2 3Å; E218-V227 HydrophobicContact CB-CG1 4.03Å; E218-V227 HydrophobicContact CG-CG1 3.81Å
219G93.4Very high87.8Confident0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-170.9-174.417900000113.6Y7 W9 H228 L233Y7-G219 CarbonylContact O-C 3.47Å; Y7-G219 WeakPolarHBondContact O-CA 3.41Å; W9-G219 VanDerWaalsContact CH2-C 3.5Å; G219-H228 PolarHBondContact N-O 2.94Å; G219-H228 PolarHBondContact O-N 2.94Å; G219-L233 VanDerWaalsContact C-CD1 3.45Å; G219-L233 VanDerWaalsContact CA-CD1 3.44Å
220S91.9Very high87.8Confident5 Ų540.4 Ų40.44%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-141.5163.6175.4-167.20000110.9Y7 S224 T226Y7-S220 PolarHBondContact N-O 2.82Å; Y7-S220 PolarHBondContact O-N 3.45Å; S220-S224 PolarHBondContact OG-O 3.25Å; S220-S224 PolarHBondContact OG-OG 2.95Å; S220-T226 VanDerWaalsContact CB-O 3.28Å; S220-T226 WeakPolarHBondContact CB-O 3.26Å; S220-T226 PolarHBondContact OG-O 3.25Å
221V87.4Confident87.7Confident0 Ų042.6 Ų42.60%022%0.215CC..EExtended strand (participates in β ladder)trans-104.6133.3174.3-171.90000108.5Y4 S224 L233 R236 L239Y4-V221 HydrophobicContact CD1-CG1 3.38Å; Y4-V221 HydrophobicContact CE1-CB 4.44Å; Y4-V221 HydrophobicContact CE1-CG1 3.36Å; Y4-V221 HydrophobicContact CG-CG1 4.14Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.4Å; V221-S224 PolarHBondContact O-N 3.34Å; V221-S224 PolarHBondContact O-OG 2.83Å; V221-L233 HydrophobicContact CG2-CD2 3.69Å; V221-R236 VanDerWaalsContact CG2-NH1 3.34Å; V221-L239 HydrophobicContact CG1-CD1 4.4Å; V221-L239 HydrophobicContact CG2-CD1 3.63Å
222S75.5Confident87.5Confident59 Ų5943.4 Ų43.441%0.41322%0.217SC..THydrogen-bonded Turntrans52.1-161.7-177.476.10000113T5 S224T5-S222 PolarHBondContact O-N 2.89Å; S222-S224 PolarHBondContact O-N 3.03Å
223H62.9Low87.3Confident181 Ų18143.5 Ų43.584%0.83822%0.217SC*.THydrogen-bonded Turntrans-72.516.6174.5-65.787.6000112.8
224S61.4Low86.9Confident41 Ų4143.5 Ų43.529%0.28722%0.217SC..  trans-66.5141.7177.780.70000110.2S220 V221 S222 T226S220-S224 PolarHBondContact OG-O 3.25Å; S220-S224 PolarHBondContact OG-OG 2.95Å; V221-S224 VanDerWaalsContact O-CB 3.27Å; V221-S224 WeakPolarHBondContact O-CB 3.4Å; V221-S224 PolarHBondContact O-N 3.34Å; V221-S224 PolarHBondContact O-OG 2.83Å; S222-S224 PolarHBondContact O-N 3.03Å; S224-T226 PolarHBondContact O-N 3.26Å
225R68.8Low86.5Confident211 Ų21146.9 Ų46.980%0.79624%0.241SC*.  trans-82.9-1.5178.2-67.4-174.5179.21781.1112.7V227R225-V227 PolarHBondContact O-N 3.36Å
226T84.6Confident86Confident82 Ų8250 Ų5050%0.50325%0.252SS..  trans-82.7115.5-176.1-3.40000109.5S220 S224S220-T226 VanDerWaalsContact CB-O 3.28Å; S220-T226 WeakPolarHBondContact CB-O 3.26Å; S220-T226 PolarHBondContact OG-O 3.25Å; S224-T226 PolarHBondContact O-N 3.26Å
227V90.1Very high85.2Confident30 Ų3054.5 Ų54.518%0.18228%0.284CS..  trans-90.8133.8178.3-177.30000109.1W9 E218 R225 F270 P305W9-V227 HydrophobicContact CH2-CG2 4.39Å; W9-V227 HydrophobicContact CZ2-CG1 3.93Å; W9-V227 HydrophobicContact CZ2-CG2 3.91Å; E218-V227 HydrophobicContact CB-CG1 4.03Å; E218-V227 HydrophobicContact CG-CG1 3.81Å; R225-V227 PolarHBondContact O-N 3.36Å; V227-F270 HydrophobicContact CG2-CE2 3.6Å; V227-F270 HydrophobicContact CG2-CZ 3.81Å; V227-P305 HydrophobicContact CB-CB 4.49Å; V227-P305 HydrophobicContact CB-CG 4.12Å; V227-P305 HydrophobicContact CG1-CG 4.46Å; V227-P305 HydrophobicContact CG2-CG 3.86Å
228H91.1Very high84.6Confident45 Ų4558.9 Ų58.921%0.20830%0.304CS..EExtended strand (participates in β ladder)trans-129.5145.1178.3-59.4-73.4000110.3G219 K232 L233 R236G219-H228 PolarHBondContact N-O 2.94Å; G219-H228 PolarHBondContact O-N 2.94Å; H228-K232 HydrophobicContact CB-CB 4.3Å; H228-L233 HydrophobicContact CB-CD2 3.65Å; H228-L233 HydrophobicContact CB-CG 3.79Å; H228-R236 PolarHBondContact NE2-NH2 3.48Å; H228-R236 VanDerWaalsContact NE2-NH2 3.15Å
229P92.1Very high84.3Confident45 Ų4558 Ų5829%0.29230%0.3SS..EExtended strand (participates in β ladder)trans-51.6147.4162.1-27.236.2000111.6H231 K232 L233P229-H231 VanDerWaalsContact C-N 3.3Å; P229-H231 WeakPolarHBondContact CB-CE1 3.29Å; P229-H231 PolarHBondContact O-N 3.31Å; P229-K232 HydrophobicContact CB-CG 4.33Å; P229-K232 HydrophobicContact CG-CD 4.29Å; P229-K232 HydrophobicContact CG-CG 4.43Å; P229-K232 PolarHBondContact O-N 3.39Å; P229-L233 PolarHBondContact O-N 3.16Å
230V92Very high84Confident1 Ų159.9 Ų59.91%0.00631%0.309CS..Hα-helixtrans-55.5-43.3-176.7168.10000112.6V8 V210 S214 L217 K232 L233 L234V8-V230 HydrophobicContact CG1-CG2 3.93Å; V210-V230 HydrophobicContact CG1-CG1 4.39Å; S214-V230 PolarHBondContact OG-N 2.87Å; L217-V230 HydrophobicContact CB-CG2 3.46Å; L217-V230 VanDerWaalsContact CB-CG2 3.46Å; V230-K232 VanDerWaalsContact C-N 3.26Å; V230-K232 PolarHBondContact O-N 3.46Å; V230-L233 WeakPolarHBondContact O-CB 3.15Å; V230-L233 PolarHBondContact O-N 3.02Å; V230-L233 VanDerWaalsContact O-N 3.1Å; V230-L234 HydrophobicContact CG1-CD1 3.66Å; V230-L234 HydrophobicContact CG1-CG 4.38Å; V230-L234 WeakPolarHBondContact O-CG 3.17Å; V230-L234 PolarHBondContact O-N 2.99Å; V230-L234 VanDerWaalsContact O-N 3.09Å
231H91.7Very high83.8Confident48 Ų4863.4 Ų63.422%0.22233%0.333CS..Hα-helixtrans-61.6-33.1177.768.9-85.6000113.2V210 E211 S214 P229 L234 S235V210-H231 HydrophobicContact CG1-CB 4.35Å; E211-H231 HydrophobicContact CB-CB 4.25Å; S214-H231 PolarHBondContact OG-N 2.95Å; S214-H231 PolarHBondContact OG-ND1 2.96Å; P229-H231 VanDerWaalsContact C-N 3.3Å; P229-H231 WeakPolarHBondContact CB-CE1 3.29Å; P229-H231 PolarHBondContact O-N 3.31Å; H231-L234 PolarHBondContact O-N 2.91Å; H231-S235 PolarHBondContact O-N 3.07Å
232K91.1Very high83.8Confident115 Ų11567.7 Ų67.750%0.535%0.354SS..Hα-helixtrans-79.1-23.6176-60.9-165.7180177.70113.2H228 P229 V230 L234 S235H228-K232 HydrophobicContact CB-CB 4.3Å; P229-K232 HydrophobicContact CB-CG 4.33Å; P229-K232 HydrophobicContact CG-CD 4.29Å; P229-K232 HydrophobicContact CG-CG 4.43Å; P229-K232 PolarHBondContact O-N 3.39Å; V230-K232 VanDerWaalsContact C-N 3.26Å; V230-K232 PolarHBondContact O-N 3.46Å; K232-L234 VanDerWaalsContact C-N 3.34Å; K232-S235 PolarHBondContact O-OG 2.96Å
233L89.2Confident84.5Confident4 Ų464.9 Ų64.92%0.02133%0.334CS..Hα-helixtrans-68.4-41.2169.4-68168.8000110.5G219 V221 H228 P229 V230 S235 R236G219-L233 VanDerWaalsContact C-CD1 3.45Å; G219-L233 VanDerWaalsContact CA-CD1 3.44Å; V221-L233 HydrophobicContact CG2-CD2 3.69Å; H228-L233 HydrophobicContact CB-CD2 3.65Å; H228-L233 HydrophobicContact CB-CG 3.79Å; P229-L233 PolarHBondContact O-N 3.16Å; V230-L233 WeakPolarHBondContact O-CB 3.15Å; V230-L233 PolarHBondContact O-N 3.02Å; V230-L233 VanDerWaalsContact O-N 3.1Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.42Å; L233-R236 PolarHBondContact O-N 2.82Å
234L87.9Confident85.8Confident2 Ų256.6 Ų56.61%0.0130%0.297CS..THydrogen-bonded Turntrans-80-7-176.2-64.2169.5000114V210 V230 H231 K232 R236 L239 Q240 A243 F257 F260V210-L234 HydrophobicContact CG1-CD1 3.56Å; V230-L234 HydrophobicContact CG1-CD1 3.66Å; V230-L234 HydrophobicContact CG1-CG 4.38Å; V230-L234 WeakPolarHBondContact O-CG 3.17Å; V230-L234 PolarHBondContact O-N 2.99Å; V230-L234 VanDerWaalsContact O-N 3.09Å; H231-L234 PolarHBondContact O-N 2.91Å; K232-L234 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 2.96Å; L234-L239 HydrophobicContact CD2-CB 4.49Å; L234-Q240 VanDerWaalsContact O-CB 3.22Å; L234-Q240 WeakPolarHBondContact O-CB 2.91Å; L234-Q240 VanDerWaalsContact O-CG 3.31Å; L234-Q240 WeakPolarHBondContact O-CG 3.24Å; L234-A243 HydrophobicContact CD2-CB 3.58Å; L234-F257 HydrophobicContact CD1-CE2 3.61Å; L234-F257 HydrophobicContact CD1-CZ 4.21Å; L234-F260 HydrophobicContact CD2-CE1 3.81Å; L234-F260 HydrophobicContact CD2-CZ 3.99Å
235S85.4Confident87.2Confident84 Ų8456.6 Ų56.659%0.58729%0.292SS*.THydrogen-bonded Turntrans-70-13.3169.667.50000112.9H231 K232 L233H231-S235 PolarHBondContact O-N 3.07Å; K232-S235 PolarHBondContact O-OG 2.96Å; L233-S235 VanDerWaalsContact C-N 3.3Å; L233-S235 PolarHBondContact O-N 3.42Å
236R84.3Confident88.2Confident73 Ų7348.4 Ų48.428%0.27527%0.267SS..SBendtrans-80121.6176.2-57.5-175.8-171.4-167.67.1110V221 H228 L233 L234 Q238 L239 Q240V221-R236 VanDerWaalsContact CG2-NH1 3.34Å; H228-R236 PolarHBondContact NE2-NH2 3.48Å; H228-R236 VanDerWaalsContact NE2-NH2 3.15Å; L233-R236 PolarHBondContact O-N 2.82Å; L234-R236 PolarHBondContact O-N 2.96Å; R236-Q238 PolarHBondContact O-N 3.36Å; R236-L239 PolarHBondContact O-N 2.86Å; R236-Q240 WeakPolarHBondContact O-CB 3.47Å; R236-Q240 PolarHBondContact O-N 3.08Å
237S78.2Confident88.3Confident97 Ų9753.1 Ų53.168%0.67828%0.281SS*.Hα-helixtrans-48.8-37.8-171.258.30000115.4S241S237-S241 PolarHBondContact O-N 2.96Å; S237-S241 PolarHBondContact O-OG 3.29Å
238Q84.3Confident88.1Confident94 Ų9460 Ų6044%0.43932%0.315SS..Hα-helixtrans-75.1-35.5-178.7-169.2173.28.200113.7R236 S241 Q242R236-Q238 PolarHBondContact O-N 3.36Å; Q238-S241 PolarHBondContact O-OG 3.3Å; Q238-S241 VanDerWaalsContact O-OG 3.06Å; Q238-Q242 VanDerWaalsContact O-CG 3.3Å; Q238-Q242 WeakPolarHBondContact O-CG 3.31Å; Q238-Q242 PolarHBondContact O-N 3.39Å
239L86.1Confident87.7Confident0 Ų060.8 Ų60.80%033%0.326CS..Hα-helixtrans-79-33.7174.8-67.1176.6000110.7A6 V221 L234 R236 S241 Q242 A243 F260A6-L239 HydrophobicContact CB-CD1 4.09Å; A6-L239 HydrophobicContact CB-CD2 3.83Å; V221-L239 HydrophobicContact CG1-CD1 4.4Å; V221-L239 HydrophobicContact CG2-CD1 3.63Å; L234-L239 HydrophobicContact CD2-CB 4.49Å; R236-L239 PolarHBondContact O-N 2.86Å; L239-S241 VanDerWaalsContact C-N 3.33Å; L239-S241 PolarHBondContact O-N 3.44Å; L239-Q242 PolarHBondContact O-N 3.27Å; L239-A243 VanDerWaalsContact O-CB 3.31Å; L239-A243 WeakPolarHBondContact O-CB 3.35Å; L239-A243 PolarHBondContact O-N 2.8Å; L239-F260 HydrophobicContact CD2-CE2 4.48Å
240Q88.8Confident87.5Confident41 Ų4162.4 Ų62.419%0.19234%0.337CS..Hα-helixtrans-58.1-44.1176-159.6179.629.600111.9L234 R236 A243 G244 F245 Y252L234-Q240 VanDerWaalsContact O-CB 3.22Å; L234-Q240 WeakPolarHBondContact O-CB 2.91Å; L234-Q240 VanDerWaalsContact O-CG 3.31Å; L234-Q240 WeakPolarHBondContact O-CG 3.24Å; R236-Q240 WeakPolarHBondContact O-CB 3.47Å; R236-Q240 PolarHBondContact O-N 3.08Å; Q240-A243 PolarHBondContact O-N 2.78Å; Q240-G244 PolarHBondContact O-N 2.71Å; Q240-F245 VanDerWaalsContact CD-CD1 3.48Å; Q240-F245 HydrophobicContact CG-CB 3.5Å; Q240-F245 HydrophobicContact CG-CD1 3.73Å; Q240-F245 HydrophobicContact CG-CD2 4.31Å; Q240-F245 HydrophobicContact CG-CG 3.6Å; Q240-F245 VanDerWaalsContact NE2-CD1 3.34Å; Q240-F245 VanDerWaalsContact NE2-CE1 3.29Å; Q240-F245 WeakPolarHBondContact O-CB 3.23Å; Q240-F245 PolarHBondContact O-N 3.48Å; Q240-F245 VanDerWaalsContact O-N 3.12Å; Q240-Y252 HydrophobicContact CG-CE1 4.34Å
241S86.9Confident87.5Confident79 Ų7962.9 Ų62.955%0.55234%0.341SS*.Hα-helixtrans-70.1-38.8176.761.30000112.9S237 Q238 L239 A243 G244S237-S241 PolarHBondContact O-N 2.96Å; S237-S241 PolarHBondContact O-OG 3.29Å; Q238-S241 PolarHBondContact O-OG 3.3Å; Q238-S241 VanDerWaalsContact O-OG 3.06Å; L239-S241 VanDerWaalsContact C-N 3.33Å; L239-S241 PolarHBondContact O-N 3.44Å; S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 2.8Å; S241-G244 PolarHBondContact O-N 3.08Å; S241-G244 VanDerWaalsContact O-N 3.15Å
242Q88.2Confident87.5Confident90 Ų9061.1 Ų61.142%0.42133%0.332SS..Hα-helixtrans-64-34.6175.5-71.6173.821.300112.6Q238 L239 G244 F260Q238-Q242 VanDerWaalsContact O-CG 3.3Å; Q238-Q242 WeakPolarHBondContact O-CG 3.31Å; Q238-Q242 PolarHBondContact O-N 3.39Å; L239-Q242 PolarHBondContact O-N 3.27Å; Q242-G244 PolarHBondContact O-N 3.04Å; Q242-F260 HydrophobicContact CB-CD2 4.2Å; Q242-F260 HydrophobicContact CB-CE2 4.38Å
243A89.1Confident87.7Confident0 Ų056.9 Ų56.90%032%0.317CS..THydrogen-bonded Turntrans-78.21.5177.100000113.5L234 L239 Q240 S241 Y252 F257 F260L234-A243 HydrophobicContact CD2-CB 3.58Å; L239-A243 VanDerWaalsContact O-CB 3.31Å; L239-A243 WeakPolarHBondContact O-CB 3.35Å; L239-A243 PolarHBondContact O-N 2.8Å; Q240-A243 PolarHBondContact O-N 2.78Å; S241-A243 VanDerWaalsContact C-N 3.29Å; S241-A243 PolarHBondContact O-N 2.8Å; A243-Y252 HydrophobicContact CB-CD1 4.09Å; A243-Y252 HydrophobicContact CB-CE1 4.12Å; A243-F257 HydrophobicContact CB-CD2 4.09Å; A243-F257 HydrophobicContact CB-CE2 4.49Å; A243-F257 WeakPolarHBondContact O-CA 3.39Å; A243-F260 HydrophobicContact CB-CB 4.46Å; A243-F260 HydrophobicContact CB-CD1 3.94Å; A243-F260 HydrophobicContact CB-CD2 4.33Å; A243-F260 HydrophobicContact CB-CE1 4.29Å; A243-F260 HydrophobicContact CB-CG 3.97Å
244G89.9Confident87.8Confident6 Ų657.4 Ų57.46%0.06232%0.32CS..THydrogen-bonded Turntrans80.231.2174.800000115.3Q240 S241 Q242 S253Q240-G244 PolarHBondContact O-N 2.71Å; S241-G244 PolarHBondContact O-N 3.08Å; S241-G244 VanDerWaalsContact O-N 3.15Å; Q242-G244 PolarHBondContact O-N 3.04Å; G244-S253 PolarHBondContact O-N 3.01Å
245F91.5Very high88Confident42 Ų4263.5 Ų63.518%0.18435%0.348CS..EExtended strand (participates in β ladder)trans-72.7131.5176-173.9-105.1000112.6Q240 K247 C250 Y252Q240-F245 VanDerWaalsContact CD-CD1 3.48Å; Q240-F245 HydrophobicContact CG-CB 3.5Å; Q240-F245 HydrophobicContact CG-CD1 3.73Å; Q240-F245 HydrophobicContact CG-CD2 4.31Å; Q240-F245 HydrophobicContact CG-CG 3.6Å; Q240-F245 VanDerWaalsContact NE2-CD1 3.34Å; Q240-F245 VanDerWaalsContact NE2-CE1 3.29Å; Q240-F245 WeakPolarHBondContact O-CB 3.23Å; Q240-F245 PolarHBondContact O-N 3.48Å; Q240-F245 VanDerWaalsContact O-N 3.12Å; F245-K247 HydrophobicContact CD1-CG 4.39Å; F245-K247 HydrophobicContact CE1-CG 4.23Å; F245-C250 VanDerWaalsContact CE2-C 3.45Å; F245-C250 HydrophobicContact CZ-CB 4.48Å; F245-Y252 HydrophobicContact CB-CD1 3.82Å; F245-Y252 HydrophobicContact CB-CE1 3.67Å; F245-Y252 HydrophobicContact CD2-CD1 4.07Å; F245-Y252 AromaticContact CD2-CD2 3.89Å; F245-Y252 HydrophobicContact CD2-CD2 3.89Å; F245-Y252 AromaticContact CD2-CE1 3.78Å; F245-Y252 HydrophobicContact CD2-CE1 3.78Å; F245-Y252 AromaticContact CD2-CE2 3.57Å; F245-Y252 HydrophobicContact CD2-CE2 3.57Å; F245-Y252 HydrophobicContact CD2-CG 4.13Å; F245-Y252 AromaticContact CD2-CZ 3.51Å; F245-Y252 HydrophobicContact CE2-CE2 4.03Å; F245-Y252 HydrophobicContact CG-CD1 4.46Å; F245-Y252 HydrophobicContact CG-CE1 4.13Å
246S89.4Confident88.4Confident39 Ų3964.5 Ų64.527%0.27334%0.344SS..EExtended strand (participates in β ladder)trans-100.9121.9170.9170.50000110.4L248 S249 C250 S251S246-L248 PolarHBondContact O-N 2.72Å; S246-L248 PolarHBondContact OG-N 2.99Å; S246-S249 VanDerWaalsContact CB-OG 3.27Å; S246-S249 WeakPolarHBondContact CB-OG 3.21Å; S246-S249 PolarHBondContact OG-N 2.83Å; S246-S249 PolarHBondContact OG-OG 2.74Å; S246-C250 WeakPolarHBondContact O-CA 3.41Å; S246-C250 PolarHBondContact O-N 2.81Å; S246-S251 PolarHBondContact N-O 3.01Å; S246-S251 PolarHBondContact O-N 2.84Å
247K87Confident88.9Confident181 Ų18161 Ų6179%0.78733%0.331SS*.THydrogen-bonded Turntrans-67.1-22.6175-67.4-176179.3-178.90113.2F245F245-K247 HydrophobicContact CD1-CG 4.39Å; F245-K247 HydrophobicContact CE1-CG 4.23Å
248L84.9Confident89.6Confident174 Ų17458 Ų5891%0.91131%0.306SS*.THydrogen-bonded Turntrans-76.8-40-178.2-65.3172.4000111.5S246S246-L248 PolarHBondContact O-N 2.72Å; S246-L248 PolarHBondContact OG-N 2.99Å
249S83.5Confident90.1Very high61 Ų6156.4 Ų56.443%0.42730%0.3SS..THydrogen-bonded Turntrans-102.2-3.1-176.857.80000113.4S246 S251S246-S249 VanDerWaalsContact CB-OG 3.27Å; S246-S249 WeakPolarHBondContact CB-OG 3.21Å; S246-S249 PolarHBondContact OG-N 2.83Å; S246-S249 PolarHBondContact OG-OG 2.74Å; S249-S251 WeakPolarHBondContact CB-OG 3.16Å; S249-S251 PolarHBondContact O-N 3.02Å; S249-S251 PolarHBondContact OG-OG 3.25Å
250C88.3Confident90.4Very high79 Ų7957.3 Ų57.353%0.53430%0.304SS..THydrogen-bonded Turntrans50.236.8-174.2-660000112.8S207 F245 S246S207-C250 PolarHBondContact OG-O 2.79Å; F245-C250 VanDerWaalsContact CE2-C 3.45Å; F245-C250 HydrophobicContact CZ-CB 4.48Å; S246-C250 WeakPolarHBondContact O-CA 3.41Å; S246-C250 PolarHBondContact O-N 2.81Å
251S91.4Very high90.7Very high12 Ų1255.3 Ų55.38%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-142.9160.4-171.466.20000112.3L205 S246 S249L205-S251 CarbonylContact O-C 3.57Å; L205-S251 WeakPolarHBondContact O-CA 3.08Å; L205-S251 VanDerWaalsContact O-CB 3.28Å; L205-S251 WeakPolarHBondContact O-CB 3.3Å; S246-S251 PolarHBondContact N-O 3.01Å; S246-S251 PolarHBondContact O-N 2.84Å; S249-S251 WeakPolarHBondContact CB-OG 3.16Å; S249-S251 PolarHBondContact O-N 3.02Å; S249-S251 PolarHBondContact OG-OG 3.25Å
252Y92.4Very high91.1Very high10 Ų1057.5 Ų57.54%0.03929%0.291CS..EExtended strand (participates in β ladder)trans-99.6134.2-179.7-62.5-97000110.1H204 L205 V210 Q240 A243 F245 L254 F257H204-Y252 CarbonylContact C-O 3.46Å; H204-Y252 WeakPolarHBondContact CA-O 3.37Å; H204-Y252 WeakPolarHBondContact CB-O 3.33Å; L205-Y252 PolarHBondContact N-O 3.22Å; L205-Y252 PolarHBondContact O-N 3.34Å; V210-Y252 HydrophobicContact CB-CE2 4.38Å; V210-Y252 HydrophobicContact CG2-CD2 3.61Å; V210-Y252 HydrophobicContact CG2-CE2 3.85Å; V210-Y252 HydrophobicContact CG2-CG 4.27Å; Q240-Y252 HydrophobicContact CG-CE1 4.34Å; A243-Y252 HydrophobicContact CB-CD1 4.09Å; A243-Y252 HydrophobicContact CB-CE1 4.12Å; F245-Y252 HydrophobicContact CB-CD1 3.82Å; F245-Y252 HydrophobicContact CB-CE1 3.67Å; F245-Y252 HydrophobicContact CD2-CD1 4.07Å; F245-Y252 AromaticContact CD2-CD2 3.89Å; F245-Y252 HydrophobicContact CD2-CD2 3.89Å; F245-Y252 AromaticContact CD2-CE1 3.78Å; F245-Y252 HydrophobicContact CD2-CE1 3.78Å; F245-Y252 AromaticContact CD2-CE2 3.57Å; F245-Y252 HydrophobicContact CD2-CE2 3.57Å; F245-Y252 HydrophobicContact CD2-CG 4.13Å; F245-Y252 AromaticContact CD2-CZ 3.51Å; F245-Y252 HydrophobicContact CE2-CE2 4.03Å; F245-Y252 HydrophobicContact CG-CD1 4.46Å; F245-Y252 HydrophobicContact CG-CE1 4.13Å; Y252-L254 PolarHBondContact O-N 2.98Å; Y252-F257 HydrophobicContact CD1-CD2 4.04Å; Y252-F257 HydrophobicContact CD1-CE2 4.48Å; Y252-F257 HydrophobicContact CG-CD2 4.27Å
253S93.9Very high91.3Very high27 Ų2761.2 Ų61.219%0.18931%0.308CS..EExtended strand (participates in β ladder)trans-61.7123.8167.1171.70000109.5G244 Q255 Q256 F257G244-S253 PolarHBondContact O-N 3.01Å; S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 3.37Å; S253-Q256 PolarHBondContact O-N 3.5Å; S253-F257 WeakPolarHBondContact O-CB 3.41Å; S253-F257 PolarHBondContact O-N 3.46Å
254L92.8Very high91.5Very high14 Ų1461.6 Ų61.67%0.07331%0.312CS..Hα-helixtrans-59.5-43.3-175.3176.367.7000112.3L184 V188 V199 S203 L205 Y252 F257 Q258L184-L254 HydrophobicContact CB-CD1 3.72Å; L184-L254 HydrophobicContact CD1-CD1 4.16Å; V188-L254 HydrophobicContact CG2-CD1 4.19Å; V188-L254 HydrophobicContact CG2-CD2 3.85Å; V199-L254 HydrophobicContact CB-CD2 4.4Å; V199-L254 HydrophobicContact CG1-CD2 3.24Å; V199-L254 HydrophobicContact CG2-CD2 4.28Å; S203-L254 WeakPolarHBondContact O-CB 3.23Å; S203-L254 PolarHBondContact O-N 3.34Å; L205-L254 HydrophobicContact CD1-CD1 3.71Å; L205-L254 HydrophobicContact CD2-CD1 4.07Å; L205-L254 HydrophobicContact CG-CD1 3.83Å; Y252-L254 PolarHBondContact O-N 2.98Å; L254-F257 PolarHBondContact O-N 2.96Å; L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 2.75Å
255Q92.1Very high91.7Very high130 Ų13062 Ų6261%0.60731%0.313SS*.Hα-helixtrans-65.2-49.4-179.1-175.1178.7-4.500111.3S253 F257 Q258 D259S253-Q255 VanDerWaalsContact C-N 3.33Å; S253-Q255 PolarHBondContact O-N 3.37Å; Q255-F257 VanDerWaalsContact C-N 3.31Å; Q255-F257 PolarHBondContact O-N 3.24Å; Q255-Q258 PolarHBondContact O-N 2.93Å; Q255-D259 PolarHBondContact O-N 3.24Å
256Q93.4Very high91.8Very high106 Ų10661.8 Ų61.850%0.49532%0.316SS..Hα-helixtrans-63.5-39.6179.1-64.4-179.6-4.500111.3S253 D259 F260S253-Q256 PolarHBondContact O-N 3.5Å; Q256-D259 PolarHBondContact O-N 2.92Å; Q256-F260 WeakPolarHBondContact O-CB 3.45Å; Q256-F260 PolarHBondContact O-N 3.31Å
257F93.9Very high91.9Very high0 Ų063.6 Ų63.60%032%0.322CS..Hα-helixtrans-64.5-43.2177-172.7-104.6000112.5L184 L205 V210 L213 L234 A243 Y252 S253 L254 Q255 F260 L261L184-F257 HydrophobicContact CD1-CD1 4.21Å; L184-F257 HydrophobicContact CD2-CD1 4Å; L184-F257 HydrophobicContact CD2-CE1 3.8Å; L205-F257 HydrophobicContact CD1-CD1 3.5Å; L205-F257 VanDerWaalsContact CD1-CD1 3.5Å; L205-F257 HydrophobicContact CD1-CE1 3.94Å; L205-F257 HydrophobicContact CD1-CG 4.2Å; V210-F257 HydrophobicContact CG1-CE2 4.36Å; V210-F257 HydrophobicContact CG1-CZ 4.16Å; V210-F257 HydrophobicContact CG2-CE2 4.22Å; V210-F257 HydrophobicContact CG2-CZ 4.04Å; L213-F257 HydrophobicContact CD1-CE1 3.61Å; L213-F257 HydrophobicContact CD1-CZ 3.95Å; L234-F257 HydrophobicContact CD1-CE2 3.61Å; L234-F257 HydrophobicContact CD1-CZ 4.21Å; A243-F257 HydrophobicContact CB-CD2 4.09Å; A243-F257 HydrophobicContact CB-CE2 4.49Å; A243-F257 WeakPolarHBondContact O-CA 3.39Å; Y252-F257 HydrophobicContact CD1-CD2 4.04Å; Y252-F257 HydrophobicContact CD1-CE2 4.48Å; Y252-F257 HydrophobicContact CG-CD2 4.27Å; S253-F257 WeakPolarHBondContact O-CB 3.41Å; S253-F257 PolarHBondContact O-N 3.46Å; L254-F257 PolarHBondContact O-N 2.96Å; Q255-F257 VanDerWaalsContact C-N 3.31Å; Q255-F257 PolarHBondContact O-N 3.24Å; F257-F260 PolarHBondContact O-N 3.27Å; F257-L261 HydrophobicContact CD1-CD1 3.96Å; F257-L261 HydrophobicContact CD1-CG 4.45Å; F257-L261 HydrophobicContact CE1-CD1 3.37Å; F257-L261 HydrophobicContact CE1-CG 4.06Å; F257-L261 HydrophobicContact CZ-CD1 3.8Å; F257-L261 HydrophobicContact CZ-CD2 4.46Å; F257-L261 HydrophobicContact CZ-CG 4.14Å; F257-L261 PolarHBondContact O-N 3.21Å
258Q94.1Very high92.1Very high34 Ų3455 Ų5516%0.15929%0.285CS..Hα-helixtrans-62.2-44.5176-174-176.2-84.900111.5L180 L184 L254 Q255 L261 R262L180-Q258 HydrophobicContact CD2-CG 4.06Å; L180-Q258 HydrophobicContact CG-CG 4.37Å; L184-Q258 HydrophobicContact CD1-CB 3.72Å; L184-Q258 HydrophobicContact CD1-CG 3.94Å; L254-Q258 WeakPolarHBondContact O-CB 3.38Å; L254-Q258 PolarHBondContact O-N 2.75Å; Q255-Q258 PolarHBondContact O-N 2.93Å; Q258-L261 PolarHBondContact O-N 3.19Å; Q258-R262 VanDerWaalsContact NE2-NH1 3.14Å; Q258-R262 WeakPolarHBondContact O-CG 3.18Å; Q258-R262 PolarHBondContact O-N 2.84Å
259D93.6Very high92.3Very high59 Ų5949 Ų4932%0.31626%0.256SS..Hα-helixtrans-67.3-39.3179.3-69.3-23.3000111.5Q255 Q256 R262 Q263Q255-D259 PolarHBondContact O-N 3.24Å; Q256-D259 PolarHBondContact O-N 2.92Å; D259-R262 PolarHBondContact O-N 3.21Å; D259-R262 IonicContact OD1-NH1 3.21Å; D259-Q263 VanDerWaalsContact O-CG 3.3Å; D259-Q263 WeakPolarHBondContact O-CG 3.22Å; D259-Q263 PolarHBondContact O-N 2.93Å; D259-Q263 VanDerWaalsContact O-N 3.07Å
260F94.3Very high92.5Very high19 Ų1947.4 Ų47.48%0.08324%0.241CC..Hα-helixtrans-57-50.8171168.8-95.9000111.6A6 L234 L239 Q242 A243 Q256 F257 R262 Q263 A264A6-F260 HydrophobicContact CB-CE2 4.39Å; A6-F260 HydrophobicContact CB-CZ 3.95Å; L234-F260 HydrophobicContact CD2-CE1 3.81Å; L234-F260 HydrophobicContact CD2-CZ 3.99Å; L239-F260 HydrophobicContact CD2-CE2 4.48Å; Q242-F260 HydrophobicContact CB-CD2 4.2Å; Q242-F260 HydrophobicContact CB-CE2 4.38Å; A243-F260 HydrophobicContact CB-CB 4.46Å; A243-F260 HydrophobicContact CB-CD1 3.94Å; A243-F260 HydrophobicContact CB-CD2 4.33Å; A243-F260 HydrophobicContact CB-CE1 4.29Å; A243-F260 HydrophobicContact CB-CG 3.97Å; Q256-F260 WeakPolarHBondContact O-CB 3.45Å; Q256-F260 PolarHBondContact O-N 3.31Å; F257-F260 PolarHBondContact O-N 3.27Å; F260-R262 PolarHBondContact O-N 3Å; F260-Q263 PolarHBondContact O-N 3.43Å; F260-A264 HydrophobicContact CZ-CB 4.42Å; F260-A264 WeakPolarHBondContact O-CB 3.35Å; F260-A264 PolarHBondContact O-N 3.25Å
261L94.4Very high92.3Very high0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-63-41.1179.2-76-178.2000111.9V8 L180 L184 L217 F257 Q258 Q263 A264 L265V8-L261 HydrophobicContact CG1-CD2 4.31Å; L180-L261 HydrophobicContact CD1-CD1 3.88Å; L180-L261 HydrophobicContact CD2-CB 3.95Å; L184-L261 HydrophobicContact CD2-CD1 4.35Å; L217-L261 HydrophobicContact CD1-CD1 4.41Å; L217-L261 HydrophobicContact CD1-CD2 4.44Å; F257-L261 HydrophobicContact CD1-CD1 3.96Å; F257-L261 HydrophobicContact CD1-CG 4.45Å; F257-L261 HydrophobicContact CE1-CD1 3.37Å; F257-L261 HydrophobicContact CE1-CG 4.06Å; F257-L261 HydrophobicContact CZ-CD1 3.8Å; F257-L261 HydrophobicContact CZ-CD2 4.46Å; F257-L261 HydrophobicContact CZ-CG 4.14Å; F257-L261 PolarHBondContact O-N 3.21Å; Q258-L261 PolarHBondContact O-N 3.19Å; L261-Q263 VanDerWaalsContact C-N 3.25Å; L261-Q263 PolarHBondContact O-N 2.83Å; L261-A264 PolarHBondContact O-N 2.65Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 WeakPolarHBondContact O-CD1 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.18Å; L261-L265 PolarHBondContact O-N 2.87Å
262R94.4Very high91.8Very high124 Ų12444.7 Ų44.747%0.46822%0.22SC..Hα-helixtrans-59.6-36.6176-76.6176.1174.3165.9-2.6112.8L180 Q258 D259 F260L180-R262 HydrophobicContact CD2-CG 3.79Å; Q258-R262 VanDerWaalsContact NE2-NH1 3.14Å; Q258-R262 WeakPolarHBondContact O-CG 3.18Å; Q258-R262 PolarHBondContact O-N 2.84Å; D259-R262 PolarHBondContact O-N 3.21Å; D259-R262 IonicContact OD1-NH1 3.21Å; F260-R262 PolarHBondContact O-N 3Å
263Q92.9Very high91.1Very high168 Ų16846.3 Ų46.379%0.78523%0.233SC*.Hα-helixtrans-76.8-34.9177.8-68.7172.721.800112.5D259 F260 L261D259-Q263 VanDerWaalsContact O-CG 3.3Å; D259-Q263 WeakPolarHBondContact O-CG 3.22Å; D259-Q263 PolarHBondContact O-N 2.93Å; D259-Q263 VanDerWaalsContact O-N 3.07Å; F260-Q263 PolarHBondContact O-N 3.43Å; L261-Q263 VanDerWaalsContact C-N 3.25Å; L261-Q263 PolarHBondContact O-N 2.83Å
264A93.1Very high90.3Very high8 Ų847.2 Ų47.27%0.06624%0.236CC..Hα-helixtrans-85.7-21.1-177.400000114.1V8 F260 L261 C266V8-A264 HydrophobicContact CB-CB 4.29Å; V8-A264 HydrophobicContact CG2-CB 3.97Å; V8-A264 PolarHBondContact N-O 2.91Å; F260-A264 HydrophobicContact CZ-CB 4.42Å; F260-A264 WeakPolarHBondContact O-CB 3.35Å; F260-A264 PolarHBondContact O-N 3.25Å; L261-A264 PolarHBondContact O-N 2.65Å; A264-C266 PolarHBondContact O-N 3.27Å
265L94.9Very high89.5Confident16 Ų1646.6 Ų46.68%0.08423%0.233CC..BIsolated β-bridgetrans-65.6123.5-175.5-88.4167.8000112.3V8 L173 I176 Q177 L180 L217 L261V8-L265 HydrophobicContact CG1-CD2 4.28Å; V8-L265 CarbonylContact O-C 3.47Å; V8-L265 VanDerWaalsContact O-CA 3.24Å; V8-L265 WeakPolarHBondContact O-CA 3.23Å; L173-L265 HydrophobicContact CD1-CB 4.36Å; L173-L265 HydrophobicContact CD1-CD2 4.45Å; I176-L265 HydrophobicContact CG2-CD1 3.84Å; I176-L265 HydrophobicContact CG2-CD2 3.93Å; Q177-L265 HydrophobicContact CG-CD1 4.39Å; L180-L265 HydrophobicContact CD2-CD1 4.23Å; L217-L265 HydrophobicContact CD2-CD2 4.14Å; L261-L265 WeakPolarHBondContact O-CB 3.49Å; L261-L265 WeakPolarHBondContact O-CD1 3.24Å; L261-L265 WeakPolarHBondContact O-CG 3.18Å; L261-L265 PolarHBondContact O-N 2.87Å
266C93.4Very high88.3Confident37 Ų3743 Ų4325%0.2522%0.222CC..  trans-137.8174.1178.768.50000112V8 W9 A264V8-C266 PolarHBondContact O-N 3.24Å; V8-C266 PolarHBondContact O-SG 2.92Å; W9-C266 WeakPolarHBondContact CB-O 3.26Å; A264-C266 PolarHBondContact O-N 3.27Å
267L91.9Very high87.1Confident76 Ų7645.7 Ų45.740%0.39823%0.234SC..  trans-65.5140.6176.3-79.1168.7000111Q170 L173 P269Q170-L267 HydrophobicContact CB-CD2 4.49Å; L173-L267 HydrophobicContact CB-CD2 4.11Å; L173-L267 HydrophobicContact CD2-CB 4.45Å; L173-L267 HydrophobicContact CD2-CD2 3.62Å; L173-L267 HydrophobicContact CD2-CG 3.68Å; L267-P269 WeakPolarHBondContact O-CD 3.34Å; L267-P269 VanDerWaalsContact O-N 3.16Å
268N90.7Very high85.5Confident2 Ų250.1 Ų50.11%0.01127%0.265CS..  trans-62.3118.1176.2-178.2-34.5000110.1W9 P10 V169 F270 G271W9-N268 HydrophobicContact CB-CB 4.18Å; W9-N268 HydrophobicContact CG-CB 4.17Å; P10-N268 PolarHBondContact O-ND2 3.47Å; V169-N268 HydrophobicContact CG1-CB 3.84Å; N268-F270 PolarHBondContact O-N 3.14Å; N268-F270 WeakPolarHBondContact OD1-CA 3.48Å; N268-F270 PolarHBondContact OD1-N 3.19Å; N268-G271 PolarHBondContact O-N 3.02Å; N268-G271 PolarHBondContact OD1-N 3Å
269P89.1Confident84.1Confident48 Ų4849.3 Ų49.331%0.31227%0.266SS..THydrogen-bonded Turntrans-72.2-13.4-173.529.2-34.5000113.6W9 L267 N274W9-P269 VanDerWaalsContact CD2-CD 3.42Å; W9-P269 HydrophobicContact CD2-CG 4.09Å; W9-P269 HydrophobicContact CE3-CG 4.25Å; W9-P269 HydrophobicContact CH2-CG 4.14Å; W9-P269 HydrophobicContact CZ2-CG 4.01Å; W9-P269 HydrophobicContact CZ3-CG 4.26Å; L267-P269 WeakPolarHBondContact O-CD 3.34Å; L267-P269 VanDerWaalsContact O-N 3.16Å; P269-N274 WeakPolarHBondContact CA-ND2 3.28Å; P269-N274 WeakPolarHBondContact O-CB 3.26Å; P269-N274 PolarHBondContact O-ND2 3.49Å; P269-N274 VanDerWaalsContact O-ND2 3.11Å
270F88.4Confident82.9Confident27 Ų2751.9 Ų51.912%0.11827%0.274CS..THydrogen-bonded Turntrans-103.43.2-178.8-51.2-67.9000113.4W9 V227 N268 N300 A304 P305W9-F270 AromaticContact CZ2-CE2 3.84Å; W9-F270 HydrophobicContact CZ2-CE2 3.84Å; V227-F270 HydrophobicContact CG2-CE2 3.6Å; V227-F270 HydrophobicContact CG2-CZ 3.81Å; N268-F270 PolarHBondContact O-N 3.14Å; N268-F270 WeakPolarHBondContact OD1-CA 3.48Å; N268-F270 PolarHBondContact OD1-N 3.19Å; F270-N300 PolarHBondContact O-ND2 3.47Å; F270-A304 HydrophobicContact CB-CB 4.33Å; F270-A304 HydrophobicContact CD1-CB 3.71Å; F270-A304 HydrophobicContact CE1-CB 4.33Å; F270-A304 HydrophobicContact CG-CB 4.16Å; F270-P305 HydrophobicContact CE2-CG 4.28Å
271G84.3Confident81.8Confident0 Ų056.7 Ų56.70%030%0.295CS..SBendtrans-64174.8178.800000114.9N268 S273 N274 C275N268-G271 PolarHBondContact O-N 3.02Å; N268-G271 PolarHBondContact OD1-N 3Å; G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; G271-N274 PolarHBondContact O-N 3.38Å; G271-C275 WeakPolarHBondContact O-CB 3.46Å; G271-C275 PolarHBondContact O-N 3.24Å
272I80.8Confident80.2Confident33 Ų3358.6 Ų58.617%0.16931%0.305CS..Hα-helixtrans-62.5-34.7-177.3-169155.3000114W167 C275 S276 L310 V312 K334W167-I272 HydrophobicContact CE3-CD1 4.37Å; W167-I272 WeakPolarHBondContact O-CG2 3.45Å; I272-C275 PolarHBondContact O-N 3.01Å; I272-S276 PolarHBondContact O-N 3.44Å; I272-S276 PolarHBondContact O-OG 3.27Å; I272-L310 HydrophobicContact CB-CD2 4.13Å; I272-L310 HydrophobicContact CG1-CD2 4.45Å; I272-V312 HydrophobicContact CD1-CG1 4.16Å; I272-V312 HydrophobicContact CD1-CG2 3.85Å; I272-V312 HydrophobicContact CG1-CG2 3.87Å; I272-K334 HydrophobicContact CD1-CD 3.4Å; I272-K334 VanDerWaalsContact CD1-CD 3.4Å
273S77.2Confident78.3Confident45 Ų4556.2 Ų56.232%0.31531%0.308SS..Hα-helixtrans-59.7-50.7177.149.30000110.8G271 S276 Q277G271-S273 VanDerWaalsContact C-N 3.32Å; G271-S273 PolarHBondContact O-N 2.91Å; S273-S276 PolarHBondContact O-N 2.85Å; S273-Q277 WeakPolarHBondContact O-CG 3.49Å; S273-Q277 PolarHBondContact O-N 3.48Å; S273-Q277 VanDerWaalsContact O-N 3.13Å
274N76.9Confident76.5Confident46 Ų4651.4 Ų51.425%0.24628%0.282CS..Hα-helixtrans-71.7-36.7179.7-69.830.1000111.1P269 G271 S276 Q277 S278 G279P269-N274 WeakPolarHBondContact CA-ND2 3.28Å; P269-N274 WeakPolarHBondContact O-CB 3.26Å; P269-N274 PolarHBondContact O-ND2 3.49Å; P269-N274 VanDerWaalsContact O-ND2 3.11Å; G271-N274 PolarHBondContact O-N 3.38Å; N274-S276 PolarHBondContact O-N 3.01Å; N274-Q277 PolarHBondContact O-N 3.43Å; N274-S278 PolarHBondContact O-N 3.05Å; N274-S278 PolarHBondContact O-OG 3.49Å; N274-G279 PolarHBondContact O-N 2.93Å
275C75.8Confident73.9Confident1 Ų154.9 Ų54.91%0.00731%0.311CS..Hα-helixtrans-57.3-37.3173.2-169.60000112G271 I272 G279 F298 L310G271-C275 WeakPolarHBondContact O-CB 3.46Å; G271-C275 PolarHBondContact O-N 3.24Å; I272-C275 PolarHBondContact O-N 3.01Å; C275-G279 WeakPolarHBondContact O-CA 3.5Å; C275-G279 PolarHBondContact O-N 3.13Å; C275-G279 VanDerWaalsContact O-N 3.11Å; C275-F298 WeakPolarHBondContact O-CB 3.32Å; C275-L310 HydrophobicContact CB-CD2 4Å
276S68.1Low71.6Confident53 Ų5359.2 Ų59.237%0.37133%0.334SS..Hα-helixtrans-76.3-33178.5-54.40000113.3I272 S273 N274I272-S276 PolarHBondContact O-N 3.44Å; I272-S276 PolarHBondContact O-OG 3.27Å; S273-S276 PolarHBondContact O-N 2.85Å; N274-S276 PolarHBondContact O-N 3.01Å
277Q66.8Low69Low164 Ų16465.5 Ų65.577%0.76636%0.359SS*.Hα-helixtrans-88.6-44.7-175.8-69.9176.1-2.700113.5S273 N274S273-Q277 WeakPolarHBondContact O-CG 3.49Å; S273-Q277 PolarHBondContact O-N 3.48Å; S273-Q277 VanDerWaalsContact O-N 3.13Å; N274-Q277 PolarHBondContact O-N 3.43Å
278S60.7Low66.6Low92 Ų9266.1 Ų66.164%0.64337%0.366SS*.Hα-helixtrans-117.1-2.9-174.6690000113.6N274N274-S278 PolarHBondContact O-N 3.05Å; N274-S278 PolarHBondContact O-OG 3.49Å
279G63.8Low64.1Low17 Ų1774.6 Ų74.618%0.17541%0.406CS..SBendtrans-69.7156.3176.700000112.4N274 C275 K281 R299N274-G279 PolarHBondContact O-N 2.93Å; C275-G279 WeakPolarHBondContact O-CA 3.5Å; C275-G279 PolarHBondContact O-N 3.13Å; C275-G279 VanDerWaalsContact O-N 3.11Å; G279-K281 PolarHBondContact O-N 3.25Å; G279-K281 VanDerWaalsContact O-N 3.1Å; G279-R299 WeakPolarHBondContact CA-O 3.5Å
280K69.4Low61.8Low113 Ų11375 Ų7549%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-71.5110.8173.7-74.1-174.1179.4-172.90107.8L282 R299K280-L282 PolarHBondContact O-N 3.26Å; K280-R299 HydrophobicContact CB-CG 4.31Å; K280-R299 PolarHBondContact N-O 3.3Å; K280-R299 VanDerWaalsContact N-O 3.11Å; K280-R299 PolarHBondContact O-N 3.07Å
281K70.3Confident59.8Low121 Ų12181.3 Ų81.353%0.52646%0.46SS..EExtended strand (participates in β ladder)trans-63.5117.7169.6-172.8175.7-177177.30108G279 S283 I297 F298G279-K281 PolarHBondContact O-N 3.25Å; G279-K281 VanDerWaalsContact O-N 3.1Å; K281-S283 PolarHBondContact O-N 2.75Å; K281-I297 WeakPolarHBondContact CA-O 3.3Å; K281-F298 HydrophobicContact CB-CD1 4.49Å; K281-F298 HydrophobicContact CG-CE1 4.41Å
282L62.2Low58.2Low39 Ų3984.9 Ų84.920%0.20448%0.478CS..EExtended strand (participates in β ladder)trans-83.6109.5170-74.5170.5000107.1K280 W284 I297 R299K280-L282 PolarHBondContact O-N 3.26Å; L282-W284 HydrophobicContact CB-CG 4.42Å; L282-W284 HydrophobicContact CD1-CZ2 3.72Å; L282-W284 PolarHBondContact O-N 3.36Å; L282-I297 HydrophobicContact CB-CB 4.29Å; L282-I297 HydrophobicContact CB-CG2 4.08Å; L282-I297 HydrophobicContact CD1-CG2 4.19Å; L282-I297 PolarHBondContact N-O 3.38Å; L282-R299 HydrophobicContact CD1-CG 4.02Å; L282-R299 HydrophobicContact CG-CG 4.2Å
283S53.3Low57.1Low75 Ų7591.7 Ų91.752%0.52451%0.507SS..  trans-75.783.4159.753.60000107.5K281 A285K281-S283 PolarHBondContact O-N 2.75Å; S283-A285 VanDerWaalsContact C-N 3.29Å; S283-A285 PolarHBondContact O-N 3.38Å
284W56.2Low56.4Low66 Ų6695.1 Ų95.125%0.2552%0.516CS..  trans-70100.6160.4-67-13.6000106.1L282 L286 I297 M313 L321L282-W284 HydrophobicContact CB-CG 4.42Å; L282-W284 HydrophobicContact CD1-CZ2 3.72Å; L282-W284 PolarHBondContact O-N 3.36Å; W284-L286 PolarHBondContact O-N 2.77Å; W284-I297 HydrophobicContact CB-CD1 4.43Å; W284-I297 HydrophobicContact CD2-CD1 3.73Å; W284-I297 HydrophobicContact CD2-CG2 4.46Å; W284-I297 HydrophobicContact CE3-CD1 3.03Å; W284-I297 HydrophobicContact CE3-CG1 4.35Å; W284-I297 HydrophobicContact CE3-CG2 4.3Å; W284-I297 HydrophobicContact CG-CD1 4.32Å; W284-I297 HydrophobicContact CH2-CG2 4.21Å; W284-I297 HydrophobicContact CZ2-CG2 4.4Å; W284-I297 HydrophobicContact CZ3-CD1 3.48Å; W284-I297 VanDerWaalsContact CZ3-CD1 3.48Å; W284-I297 HydrophobicContact CZ3-CG2 4.13Å; W284-M313 HydrophobicContact CH2-CE 3.62Å; W284-M313 HydrophobicContact CH2-SD 4.38Å; W284-M313 HydrophobicContact CZ3-CE 3.79Å; W284-M313 HydrophobicContact CZ3-SD 3.94Å; W284-L321 HydrophobicContact CD2-CD1 4.25Å; W284-L321 HydrophobicContact CE3-CD1 3.24Å; W284-L321 HydrophobicContact CE3-CD2 3.94Å; W284-L321 HydrophobicContact CE3-CG 4.2Å; W284-L321 HydrophobicContact CH2-CD1 4.47Å; W284-L321 HydrophobicContact CZ3-CD1 3.41Å; W284-L321 VanDerWaalsContact CZ3-CD1 3.41Å; W284-L321 HydrophobicContact CZ3-CD2 3.5Å; W284-L321 HydrophobicContact CZ3-CG 4.01Å
285A38.1Very low56.1Low82 Ų8293.6 Ų93.668%0.67851%0.51SS*.  trans-80.4102.6171.500000106.3S283S283-A285 VanDerWaalsContact C-N 3.29Å; S283-A285 PolarHBondContact O-N 3.38Å
286L47.3Very low56.4Low106 Ų10697.8 Ų97.856%0.55553%0.528SS*.  trans-105.8114.1143.8-97.385.6000105.6W284 V288W284-L286 PolarHBondContact O-N 2.77Å; L286-V288 PolarHBondContact O-N 3.46Å
287Q38.3Very low57.2Low169 Ų16995.5 Ų95.579%0.7951%0.511SS*.  trans-74.1116168-81.4-166.6-26.200107.7
288V41.3Very low58.2Low89 Ų8989.3 Ų89.354%0.53948%0.482SS..  trans-118.9129.1153.7-1770000104.6L286L286-V288 PolarHBondContact O-N 3.46Å
289E37.7Very low59.5Low181 Ų18186.9 Ų86.985%0.84646%0.459SS*.SBendtrans-55.9138.2-179.2-77.4-178.6138.800111.5
290G40.8Very low60.7Low57 Ų5786.6 Ų86.659%0.58845%0.453SS*.SBendtrans97.9119.8176.300000113.5L292G290-L292 PolarHBondContact O-N 3.01Å
291T46.3Very low61.4Low159 Ų15982.3 Ų82.398%0.97544%0.437SS*.  trans-25.388.1177.435.60000116.2
292L52Low61.9Low74 Ų7480.8 Ų80.839%0.38743%0.431SS..  trans-105.5138.5168.5-76.8167.3000110.3G290 K294G290-L292 PolarHBondContact O-N 3.01Å; L292-K294 PolarHBondContact O-N 2.9Å
293K56.1Low62.9Low176 Ų17681 Ų8177%0.76544%0.438SS*.  trans-58.6113.6173.2-74.3177.9179.3171.70108.4A295K293-A295 PolarHBondContact O-N 3.21Å
294K62.6Low64.5Low118 Ų11877.8 Ų77.851%0.51342%0.416SS..  trans-56124.6179.7-168.2170.7-172.1165.60110.2L292 K296L292-K294 PolarHBondContact O-N 2.9Å; K294-K296 PolarHBondContact O-N 2.79Å
295A71.6Confident65.9Low13 Ų1376 Ų7611%0.10741%0.414CS..  trans-50.7134.817300000110.4K293 I297 V316K293-A295 PolarHBondContact O-N 3.21Å; A295-I297 HydrophobicContact CB-CD1 4.19Å; A295-I297 HydrophobicContact CB-CG1 4.22Å; A295-V316 HydrophobicContact CB-CG2 4Å
296K82.2Confident68Low90 Ų9077 Ų7739%0.39141%0.413SS..EExtended strand (participates in β ladder)trans-97.199.9-179-69179.9-177.4160.60108.9K294 F298 S314 Q315K294-K296 PolarHBondContact O-N 2.79Å; K296-F298 HydrophobicContact CB-CE2 3.7Å; K296-F298 HydrophobicContact CB-CZ 4.16Å; K296-S314 PolarHBondContact N-O 3.07Å; K296-S314 PolarHBondContact O-N 3.41Å; K296-Q315 VanDerWaalsContact CE-OE1 3.32Å
297I85.6Confident69.6Low4 Ų472.6 Ų72.62%0.02139%0.393CS..EExtended strand (participates in β ladder)trans-117.2119.1-176-53.8-177.4000109.2K281 L282 W284 A295 V311 V312 M313K281-I297 WeakPolarHBondContact CA-O 3.3Å; L282-I297 HydrophobicContact CB-CB 4.29Å; L282-I297 HydrophobicContact CB-CG2 4.08Å; L282-I297 HydrophobicContact CD1-CG2 4.19Å; L282-I297 PolarHBondContact N-O 3.38Å; W284-I297 HydrophobicContact CB-CD1 4.43Å; W284-I297 HydrophobicContact CD2-CD1 3.73Å; W284-I297 HydrophobicContact CD2-CG2 4.46Å; W284-I297 HydrophobicContact CE3-CD1 3.03Å; W284-I297 HydrophobicContact CE3-CG1 4.35Å; W284-I297 HydrophobicContact CE3-CG2 4.3Å; W284-I297 HydrophobicContact CG-CD1 4.32Å; W284-I297 HydrophobicContact CH2-CG2 4.21Å; W284-I297 HydrophobicContact CZ2-CG2 4.4Å; W284-I297 HydrophobicContact CZ3-CD1 3.48Å; W284-I297 VanDerWaalsContact CZ3-CD1 3.48Å; W284-I297 HydrophobicContact CZ3-CG2 4.13Å; A295-I297 HydrophobicContact CB-CD1 4.19Å; A295-I297 HydrophobicContact CB-CG1 4.22Å; I297-V311 HydrophobicContact CG2-CG1 4.37Å; I297-V312 CarbonylContact C-O 3.55Å; I297-V312 VanDerWaalsContact CA-O 3.3Å; I297-V312 WeakPolarHBondContact CA-O 3.34Å; I297-M313 HydrophobicContact CG1-CB 4.19Å; I297-M313 HydrophobicContact CG1-CG 4.41Å; I297-M313 HydrophobicContact CG2-CG 4.2Å
298F86.6Confident71.9Confident34 Ų3464.8 Ų64.815%0.14936%0.357CS..EExtended strand (participates in β ladder)trans-123.4144.5-176.7-55.5-82.4000110.1C275 K281 K296 V311 V312C275-F298 WeakPolarHBondContact O-CB 3.32Å; K281-F298 HydrophobicContact CB-CD1 4.49Å; K281-F298 HydrophobicContact CG-CE1 4.41Å; K296-F298 HydrophobicContact CB-CE2 3.7Å; K296-F298 HydrophobicContact CB-CZ 4.16Å; F298-V311 CarbonylContact O-C 3.58Å; F298-V311 WeakPolarHBondContact O-CA 3.41Å; F298-V312 PolarHBondContact N-O 3.42Å; F298-V312 PolarHBondContact O-N 3.17Å
299R88.1Confident74.3Confident41 Ų4164.3 Ų64.316%0.15535%0.345CS..EExtended strand (participates in β ladder)trans-141.6144.2175.766.1172.5-178.7109.5-1.2112.6G279 K280 L282 T301 L310 V311G279-R299 WeakPolarHBondContact CA-O 3.5Å; K280-R299 HydrophobicContact CB-CG 4.31Å; K280-R299 PolarHBondContact N-O 3.3Å; K280-R299 VanDerWaalsContact N-O 3.11Å; K280-R299 PolarHBondContact O-N 3.07Å; L282-R299 HydrophobicContact CD1-CG 4.02Å; L282-R299 HydrophobicContact CG-CG 4.2Å; R299-T301 PolarHBondContact NH1-OG1 3.09Å; R299-T301 VanDerWaalsContact NH1-OG1 3.16Å; R299-L310 WeakPolarHBondContact CA-O 3.34Å; R299-V311 HydrophobicContact CB-CG2 3.78Å
300N88.7Confident76.8Confident11 Ų1155.7 Ų55.76%0.05931%0.305CS..  trans-109.32.6171.774.5-0.7000112.8F270 H302 A303 A304 S308 R309 L310F270-N300 PolarHBondContact O-ND2 3.47Å; N300-H302 PolarHBondContact O-N 2.88Å; N300-A303 PolarHBondContact O-N 3.42Å; N300-A304 HydrophobicContact CB-CB 4.29Å; N300-A304 PolarHBondContact O-N 3.17Å; N300-S308 PolarHBondContact ND2-O 3.01Å; N300-R309 WeakPolarHBondContact OD1-CA 3.39Å; N300-L310 PolarHBondContact N-O 3.04Å; N300-L310 VanDerWaalsContact N-O 3.12Å; N300-L310 PolarHBondContact OD1-N 3.03Å; N300-L310 PolarHBondContact OD1-O 3.28Å
301T83.8Confident79.2Confident24 Ų2453 Ų5315%0.14728%0.278CS..THydrogen-bonded Turntrans-55.8-20.3-169.258.40000115.6R299 R309 V311 V331R299-T301 PolarHBondContact NH1-OG1 3.09Å; R299-T301 VanDerWaalsContact NH1-OG1 3.16Å; T301-R309 HydrophobicContact CG2-CB 4.28Å; T301-V311 HydrophobicContact CG2-CG2 4.1Å; T301-V331 HydrophobicContact CG2-CG1 4.05Å; T301-V331 HydrophobicContact CG2-CG2 3.73Å
302H81.7Confident81.4Confident88 Ų8845.8 Ų45.841%0.40723%0.233SC..THydrogen-bonded Turntrans-81.3-16.6178.964.6-80.4000114.1N300N300-H302 PolarHBondContact O-N 2.88Å
303A82.9Confident83.2Confident43 Ų4342.3 Ų42.336%0.35522%0.215SC..THydrogen-bonded Turntrans-128.3-24.3-174.400000113N300N300-A303 PolarHBondContact O-N 3.42Å
304A86Confident84.8Confident8 Ų834.7 Ų34.77%0.06618%0.184CC..SBendtrans-80.2140.7-178.900000112.3F270 N300 S308 R309F270-A304 HydrophobicContact CB-CB 4.33Å; F270-A304 HydrophobicContact CD1-CB 3.71Å; F270-A304 HydrophobicContact CE1-CB 4.33Å; F270-A304 HydrophobicContact CG-CB 4.16Å; N300-A304 HydrophobicContact CB-CB 4.29Å; N300-A304 PolarHBondContact O-N 3.17Å; A304-S308 WeakPolarHBondContact CB-O 3.44Å; A304-R309 HydrophobicContact CB-CG 4.39Å
305P86.4Confident85.9Confident30 Ų3031.9 Ų31.920%0.19517%0.173CC..PPolyproline II helixtrans-66.1162.5171.332-37.8000111.2V227 F270 S308 R309V227-P305 HydrophobicContact CB-CB 4.49Å; V227-P305 HydrophobicContact CB-CG 4.12Å; V227-P305 HydrophobicContact CG1-CG 4.46Å; V227-P305 HydrophobicContact CG2-CG 3.86Å; F270-P305 HydrophobicContact CE2-CG 4.28Å; P305-S308 PolarHBondContact O-N 3.11Å; P305-S308 VanDerWaalsContact O-N 3.13Å; P305-R309 PolarHBondContact O-N 3.06Å
306P83Confident86.7Confident103 Ų10331.4 Ų31.467%0.66917%0.168SC*.THydrogen-bonded Turntrans-48.7142.8169-24.734.5000111.8S308P306-S308 PolarHBondContact O-N 2.95Å
307G79.9Confident86.9Confident12 Ų1229 Ų2912%0.12416%0.163CC..THydrogen-bonded Turntrans84.3-30.9-174.400000114.8N332G307-N332 PolarHBondContact O-ND2 2.84Å
308S86.6Confident86.8Confident5 Ų534 Ų344%0.03518%0.184CC..SBendtrans-102.64.3176.3-67.10000113.5N300 A304 P305 P306 L310N300-S308 PolarHBondContact ND2-O 3.01Å; A304-S308 WeakPolarHBondContact CB-O 3.44Å; P305-S308 PolarHBondContact O-N 3.11Å; P305-S308 VanDerWaalsContact O-N 3.13Å; P306-S308 PolarHBondContact O-N 2.95Å; S308-L310 PolarHBondContact O-N 3.16Å
309R91.1Very high86.5Confident79 Ų7934.1 Ų34.130%0.29819%0.185SC..  trans-67.4129173.2-66.7179.8-175.6169.31.9110.1N300 T301 A304 P305 V331 N332N300-R309 WeakPolarHBondContact OD1-CA 3.39Å; T301-R309 HydrophobicContact CG2-CB 4.28Å; A304-R309 HydrophobicContact CB-CG 4.39Å; P305-R309 PolarHBondContact O-N 3.06Å; R309-V331 HydrophobicContact CB-CG1 4.36Å; R309-V331 HydrophobicContact CB-CG2 4.15Å; R309-N332 WeakPolarHBondContact O-CB 3.43Å; R309-N332 PolarHBondContact O-N 3.25Å; R309-N332 PolarHBondContact O-ND2 3.01Å
310L90.8Very high86.2Confident0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-138.3136.1-172.9176.861.3000110.5W167 I272 C275 R299 N300 S308 V312 N332W167-L310 HydrophobicContact CH2-CD1 3.41Å; W167-L310 VanDerWaalsContact CH2-CD1 3.41Å; W167-L310 HydrophobicContact CZ3-CD1 3.34Å; W167-L310 HydrophobicContact CZ3-CD2 4.08Å; W167-L310 HydrophobicContact CZ3-CG 4.35Å; I272-L310 HydrophobicContact CB-CD2 4.13Å; I272-L310 HydrophobicContact CG1-CD2 4.45Å; C275-L310 HydrophobicContact CB-CD2 4Å; R299-L310 WeakPolarHBondContact CA-O 3.34Å; N300-L310 PolarHBondContact N-O 3.04Å; N300-L310 VanDerWaalsContact N-O 3.12Å; N300-L310 PolarHBondContact OD1-N 3.03Å; N300-L310 PolarHBondContact OD1-O 3.28Å; S308-L310 PolarHBondContact O-N 3.16Å; L310-V312 HydrophobicContact CD1-CG2 3.98Å; L310-V312 HydrophobicContact CD2-CG2 3.81Å; L310-V312 HydrophobicContact CG-CG2 3.78Å; L310-N332 WeakPolarHBondContact CA-O 3.32Å; L310-N332 HydrophobicContact CD1-CB 4.31Å; L310-N332 VanDerWaalsContact CD1-O 3.27Å; L310-N332 WeakPolarHBondContact CD1-O 3.46Å
311V92.1Very high86Confident2 Ų233 Ų331%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-124.8126.5163.5171.20000108.6I297 F298 R299 T301 M313 L328 V331 N332 I333 K334I297-V311 HydrophobicContact CG2-CG1 4.37Å; F298-V311 CarbonylContact O-C 3.58Å; F298-V311 WeakPolarHBondContact O-CA 3.41Å; R299-V311 HydrophobicContact CB-CG2 3.78Å; T301-V311 HydrophobicContact CG2-CG2 4.1Å; V311-M313 HydrophobicContact CG1-CE 3.64Å; V311-M313 HydrophobicContact CG1-CG 4.07Å; V311-L328 HydrophobicContact CG2-CD2 4.16Å; V311-V331 HydrophobicContact CB-CG1 4.08Å; V311-V331 HydrophobicContact CG2-CG1 3.71Å; V311-N332 PolarHBondContact N-O 3.48Å; V311-I333 HydrophobicContact CB-CD1 3.77Å; V311-I333 HydrophobicContact CG1-CD1 4.31Å; V311-I333 HydrophobicContact CG2-CD1 4.43Å; V311-I333 WeakPolarHBondContact O-CA 3.45Å; V311-K334 PolarHBondContact O-N 3.37Å
312V90.9Very high86Confident7 Ų733.8 Ų33.84%0.04219%0.191CC..EExtended strand (participates in β ladder)trans-112.7121.8178-174.40000108I272 I297 F298 L310 K334I272-V312 HydrophobicContact CD1-CG1 4.16Å; I272-V312 HydrophobicContact CD1-CG2 3.85Å; I272-V312 HydrophobicContact CG1-CG2 3.87Å; I297-V312 CarbonylContact C-O 3.55Å; I297-V312 VanDerWaalsContact CA-O 3.3Å; I297-V312 WeakPolarHBondContact CA-O 3.34Å; F298-V312 PolarHBondContact N-O 3.42Å; F298-V312 PolarHBondContact O-N 3.17Å; L310-V312 HydrophobicContact CD1-CG2 3.98Å; L310-V312 HydrophobicContact CD2-CG2 3.81Å; L310-V312 HydrophobicContact CG-CG2 3.78Å; V312-K334 CarbonylContact C-O 3.49Å; V312-K334 WeakPolarHBondContact CA-O 3.24Å; V312-K334 HydrophobicContact CG1-CB 4.48Å
313M91.2Very high86Confident0 Ų032.6 Ų32.60%019%0.185CC..EExtended strand (participates in β ladder)trans-114.7114.5172.9-38.7-178.3-178.100107.6W284 I297 V311 V316 L321 I333 K334 L335 H336 L345W284-M313 HydrophobicContact CH2-CE 3.62Å; W284-M313 HydrophobicContact CH2-SD 4.38Å; W284-M313 HydrophobicContact CZ3-CE 3.79Å; W284-M313 HydrophobicContact CZ3-SD 3.94Å; I297-M313 HydrophobicContact CG1-CB 4.19Å; I297-M313 HydrophobicContact CG1-CG 4.41Å; I297-M313 HydrophobicContact CG2-CG 4.2Å; V311-M313 HydrophobicContact CG1-CE 3.64Å; V311-M313 HydrophobicContact CG1-CG 4.07Å; M313-V316 HydrophobicContact CB-CG2 4.14Å; M313-L321 HydrophobicContact SD-CD2 3.54Å; M313-L321 VanDerWaalsContact SD-CD2 3.54Å; M313-I333 HydrophobicContact CE-CG2 4.42Å; M313-K334 PolarHBondContact N-O 3.4Å; M313-L335 HydrophobicContact CB-CD2 3.59Å; M313-L335 HydrophobicContact CG-CD2 3.72Å; M313-L335 WeakPolarHBondContact O-CA 3.43Å; M313-L335 HydrophobicContact SD-CD2 3.58Å; M313-L335 VanDerWaalsContact SD-CD2 3.58Å; M313-H336 PolarHBondContact O-N 3.37Å; M313-L345 HydrophobicContact CE-CD1 4.15Å; M313-L345 HydrophobicContact CE-CD2 3.77Å; M313-L345 HydrophobicContact SD-CD2 4.34Å
314S89.5Confident85.8Confident17 Ų1734.5 Ų34.512%0.11919%0.189CC..EExtended strand (participates in β ladder)trans-126.9143.5-179.3-165.70000111.7K296 V316 H336K296-S314 PolarHBondContact N-O 3.07Å; K296-S314 PolarHBondContact O-N 3.41Å; S314-V316 VanDerWaalsContact C-N 3.28Å; S314-V316 PolarHBondContact O-N 2.72Å; S314-H336 WeakPolarHBondContact CA-O 3.48Å; S314-H336 WeakPolarHBondContact CB-O 3.42Å; S314-H336 PolarHBondContact OG-ND1 3.33Å; S314-H336 VanDerWaalsContact OG-ND1 3.07Å; S314-H336 PolarHBondContact OG-O 2.89Å
315Q86.1Confident85.5Confident59 Ų5935.5 Ų35.528%0.27620%0.196SC..  trans59.739178.9-47.2-176-66.900112.3K296 C317 H336 R337K296-Q315 VanDerWaalsContact CE-OE1 3.32Å; Q315-C317 PolarHBondContact O-N 3.09Å; Q315-H336 PolarHBondContact N-O 3.49Å; Q315-H336 VanDerWaalsContact N-O 3.09Å; Q315-R337 WeakPolarHBondContact CA-O 3.39Å
316V87Confident85.3Confident2 Ų242.1 Ų42.11%0.01222%0.224CC..  trans-74.9107.2165.4-174.50000106.4A295 M313 S314 Q319 C338 S339 A341 I343A295-V316 HydrophobicContact CB-CG2 4Å; M313-V316 HydrophobicContact CB-CG2 4.14Å; S314-V316 VanDerWaalsContact C-N 3.28Å; S314-V316 PolarHBondContact O-N 2.72Å; V316-Q319 HydrophobicContact CG1-CB 4.33Å; V316-C338 HydrophobicContact CB-CB 4.24Å; V316-C338 CarbonylContact O-C 3.58Å; V316-C338 WeakPolarHBondContact O-CA 3.45Å; V316-C338 WeakPolarHBondContact O-CB 3.47Å; V316-S339 PolarHBondContact O-N 3.27Å; V316-A341 HydrophobicContact CG1-CB 4.07Å; V316-I343 HydrophobicContact CB-CD1 4.43Å; V316-I343 HydrophobicContact CG1-CD1 4.42Å
317C86.4Confident85.3Confident41 Ų4143.9 Ų43.928%0.27722%0.221SC..BIsolated β-bridgetrans-128.6132.1-173.7-620000111.3Q315 Q319 S339Q315-C317 PolarHBondContact O-N 3.09Å; C317-Q319 WeakPolarHBondContact O-CG 3.37Å; C317-Q319 PolarHBondContact O-N 2.94Å; C317-S339 WeakPolarHBondContact CA-O 3.32Å
318K83.8Confident85.6Confident108 Ų10843.6 Ų43.647%0.4722%0.217SC..SBendtrans5637.5175.4-58-174.5175.7-163.60113.4S339 E340K318-S339 PolarHBondContact N-O 2.89Å; K318-S339 VanDerWaalsContact N-O 3.08Å; K318-E340 WeakPolarHBondContact CA-O 3.31Å; K318-E340 VanDerWaalsContact CE-CD 3.46Å; K318-E340 WeakPolarHBondContact CE-OE1 3.38Å; K318-E340 WeakPolarHBondContact CE-OE2 3.33Å; K318-E340 HydrophobicContact CG-CB 4Å; K318-E340 PolarHBondContact N-O 3.29Å; K318-E340 VanDerWaalsContact N-O 3.09Å; K318-E340 IonicContact NZ-OE2 3.65Å
319Q80.4Confident85.8Confident36 Ų3645.6 Ų45.617%0.16823%0.227CC..  trans-141.6146.8-172.8-75174.50.600110.7V316 C317 A341 F342V316-Q319 HydrophobicContact CG1-CB 4.33Å; C317-Q319 WeakPolarHBondContact O-CG 3.37Å; C317-Q319 PolarHBondContact O-N 2.94Å; Q319-A341 WeakPolarHBondContact O-CA 3.13Å; Q319-A341 WeakPolarHBondContact O-CB 3.15Å; Q319-F342 PolarHBondContact O-N 2.94Å; Q319-F342 VanDerWaalsContact O-N 3.12Å
320T82.7Confident85.8Confident13 Ų1344.3 Ų44.38%0.0823%0.226CC..EExtended strand (participates in β ladder)trans-97.6126.4167.5-670000109.6F342 Y344 F476 S547 L548T320-F342 CarbonylContact C-O 3.59Å; T320-F342 VanDerWaalsContact CA-O 3.28Å; T320-F342 WeakPolarHBondContact CA-O 3.36Å; T320-F342 HydrophobicContact CG2-CB 4.12Å; T320-F342 WeakPolarHBondContact OG1-CB 3.36Å; T320-Y344 HydrophobicContact CG2-CD2 4.18Å; T320-Y344 HydrophobicContact CG2-CE2 3.97Å; T320-F476 HydrophobicContact CG2-CZ 4.1Å; T320-S547 WeakPolarHBondContact OG1-CB 3.42Å; T320-S547 PolarHBondContact OG1-OG 3.41Å; T320-L548 HydrophobicContact CG2-CD2 3.86Å
321L84.5Confident85.9Confident16 Ų1644.4 Ų44.48%0.08423%0.227CC..EExtended strand (participates in β ladder)trans-118.6116.8177.4168.660.5000107.9W284 M313 F342 I343 Y344W284-L321 HydrophobicContact CD2-CD1 4.25Å; W284-L321 HydrophobicContact CE3-CD1 3.24Å; W284-L321 HydrophobicContact CE3-CD2 3.94Å; W284-L321 HydrophobicContact CE3-CG 4.2Å; W284-L321 HydrophobicContact CH2-CD1 4.47Å; W284-L321 HydrophobicContact CZ3-CD1 3.41Å; W284-L321 VanDerWaalsContact CZ3-CD1 3.41Å; W284-L321 HydrophobicContact CZ3-CD2 3.5Å; W284-L321 HydrophobicContact CZ3-CG 4.01Å; M313-L321 HydrophobicContact SD-CD2 3.54Å; M313-L321 VanDerWaalsContact SD-CD2 3.54Å; L321-F342 PolarHBondContact N-O 3.19Å; L321-I343 HydrophobicContact CB-CG1 4.46Å; L321-I343 HydrophobicContact CD2-CG2 4.01Å; L321-I343 HydrophobicContact CG-CG2 4.42Å; L321-I343 CarbonylContact O-C 3.51Å; L321-I343 WeakPolarHBondContact O-CA 3.4Å; L321-Y344 PolarHBondContact O-N 3.01Å
322A83.4Confident86Confident40 Ų4044.3 Ų44.333%0.33123%0.226SC..EExtended strand (participates in β ladder)trans-123.5128.9173.200000110.7Y344 F476A322-Y344 CarbonylContact C-O 3.59Å; A322-Y344 WeakPolarHBondContact CA-O 3.29Å; A322-Y344 HydrophobicContact CB-CD2 4.39Å; A322-F476 HydrophobicContact CB-CD1 4.16Å; A322-F476 HydrophobicContact CB-CD2 3.82Å; A322-F476 HydrophobicContact CB-CE1 3.67Å; A322-F476 HydrophobicContact CB-CE2 3.31Å; A322-F476 HydrophobicContact CB-CG 4.24Å; A322-F476 HydrophobicContact CB-CZ 3.23Å
323K81.8Confident86.2Confident63 Ų6344 Ų4427%0.27422%0.224SC..EExtended strand (participates in β ladder)trans-146.2120179.2-159.477-154.593.10111.7L328 Y344 L346K323-L328 HydrophobicContact CB-CD1 3.97Å; K323-L328 HydrophobicContact CG-CD1 3.82Å; K323-Y344 PolarHBondContact N-O 2.83Å; K323-L346 PolarHBondContact O-N 2.87Å
324D78.7Confident86.3Confident83 Ų8344.9 Ų44.944%0.44423%0.228SC..  trans-99.2127.5150.159.3-7.1000108.4M478D324-M478 HydrophobicContact CB-CE 3.94Å
325S79.8Confident86.5Confident29 Ų2944.1 Ų44.120%0.20322%0.223CC..  trans-166136.2171.6-167.20000110.3K327 L328 N329 S347S325-K327 PolarHBondContact O-N 2.93Å; S325-K327 WeakPolarHBondContact OG-CB 3.4Å; S325-K327 PolarHBondContact OG-N 2.85Å; S325-L328 WeakPolarHBondContact O-CB 3.31Å; S325-L328 PolarHBondContact O-N 3.25Å; S325-N329 PolarHBondContact O-OD1 3.25Å; S325-S347 PolarHBondContact N-OG 2.97Å; S325-S347 PolarHBondContact O-OG 3.09Å
326E81.1Confident86.8Confident169 Ų16942.9 Ų42.979%0.7922%0.217SC*.G310 helixtrans-52.5-23.4166.2-61.2179.7175.100113.1L328 N329E326-L328 PolarHBondContact O-N 2.96Å; E326-N329 VanDerWaalsContact O-CB 3.31Å; E326-N329 WeakPolarHBondContact O-CB 3.44Å; E326-N329 PolarHBondContact O-N 2.88Å; E326-N329 VanDerWaalsContact O-N 3.14Å
327K82.9Confident87Confident140 Ų14049 Ų4961%0.60924%0.24SC*.G310 helixtrans-68.3-16.3176.4-64173.5-175.5163.10113.7S325S325-K327 PolarHBondContact O-N 2.93Å; S325-K327 WeakPolarHBondContact OG-CB 3.4Å; S325-K327 PolarHBondContact OG-N 2.85Å
328L87.1Confident87.2Confident6 Ų647 Ų473%0.03123%0.227CC..G310 helixtrans-96.7-7.9175.1-62.2-179000112.2V311 K323 S325 E326 D330 V331 I333 L345 L349V311-L328 HydrophobicContact CG2-CD2 4.16Å; K323-L328 HydrophobicContact CB-CD1 3.97Å; K323-L328 HydrophobicContact CG-CD1 3.82Å; S325-L328 WeakPolarHBondContact O-CB 3.31Å; S325-L328 PolarHBondContact O-N 3.25Å; E326-L328 PolarHBondContact O-N 2.96Å; L328-D330 PolarHBondContact O-N 3.4Å; L328-V331 WeakPolarHBondContact O-CB 3.39Å; L328-V331 WeakPolarHBondContact O-CG2 3.34Å; L328-V331 PolarHBondContact O-N 3.32Å; L328-I333 HydrophobicContact CD2-CD1 4.16Å; L328-L345 HydrophobicContact CD1-CD2 4.21Å; L328-L349 HydrophobicContact CB-CD2 4.14Å
329N91.1Very high87.6Confident48 Ų4843.3 Ų43.326%0.25721%0.214SC..THydrogen-bonded Turntrans-62.2127.2-179.4-66.15.3000111.1S325 E326 V331 P348S325-N329 PolarHBondContact O-OD1 3.25Å; E326-N329 VanDerWaalsContact O-CB 3.31Å; E326-N329 WeakPolarHBondContact O-CB 3.44Å; E326-N329 PolarHBondContact O-N 2.88Å; E326-N329 VanDerWaalsContact O-N 3.14Å; N329-V331 WeakPolarHBondContact O-CG2 3.47Å; N329-V331 PolarHBondContact O-N 3.19Å; N329-P348 CarbonylContact C-O 3.56Å; N329-P348 VanDerWaalsContact CA-O 3.28Å; N329-P348 WeakPolarHBondContact CA-O 3.19Å; N329-P348 HydrophobicContact CB-CG 4.33Å; N329-P348 WeakPolarHBondContact OD1-CD 3.44Å
330D90.8Very high88Confident52 Ų5244.4 Ų44.428%0.27822%0.219SC..THydrogen-bonded Turntrans56.536.5178.3-58.5-51.1000113.4L328 P348 W350 R368L328-D330 PolarHBondContact O-N 3.4Å; D330-P348 PolarHBondContact N-O 3.46Å; D330-W350 HydrophobicContact CB-CE3 4.08Å; D330-R368 IonicContact OD1-CZ 3.62Å; D330-R368 VanDerWaalsContact OD1-CZ 3.3Å; D330-R368 IonicContact OD1-NH1 3.44Å; D330-R368 PolarHBondContact OD1-NH1 3.11Å; D330-R368 IonicContact OD1-NH2 3.8Å; D330-R368 PolarHBondContact OD1-NH2 2.96Å
331V93.1Very high88.3Confident1 Ų143.8 Ų43.81%0.00622%0.216CC..  trans-105.2142.7178.2-177.80000111.2T301 R309 V311 L328 N329 I333 W350T301-V331 HydrophobicContact CG2-CG1 4.05Å; T301-V331 HydrophobicContact CG2-CG2 3.73Å; R309-V331 HydrophobicContact CB-CG1 4.36Å; R309-V331 HydrophobicContact CB-CG2 4.15Å; V311-V331 HydrophobicContact CB-CG1 4.08Å; V311-V331 HydrophobicContact CG2-CG1 3.71Å; L328-V331 WeakPolarHBondContact O-CB 3.39Å; L328-V331 WeakPolarHBondContact O-CG2 3.34Å; L328-V331 PolarHBondContact O-N 3.32Å; N329-V331 WeakPolarHBondContact O-CG2 3.47Å; N329-V331 PolarHBondContact O-N 3.19Å; V331-I333 HydrophobicContact CB-CD1 4.29Å; V331-I333 HydrophobicContact CG1-CD1 4.01Å; V331-W350 PolarHBondContact O-N 3.23Å
332N93.9Very high88.6Confident0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-77.7121.2166.9-59.2-81.3000109.3L16 W167 G307 R309 L310 V311 W350 S351L16-N332 HydrophobicContact CD2-CB 4.13Å; W167-N332 HydrophobicContact CH2-CB 4.25Å; G307-N332 PolarHBondContact O-ND2 2.84Å; R309-N332 WeakPolarHBondContact O-CB 3.43Å; R309-N332 PolarHBondContact O-N 3.25Å; R309-N332 PolarHBondContact O-ND2 3.01Å; L310-N332 WeakPolarHBondContact CA-O 3.32Å; L310-N332 HydrophobicContact CD1-CB 4.31Å; L310-N332 VanDerWaalsContact CD1-O 3.27Å; L310-N332 WeakPolarHBondContact CD1-O 3.46Å; V311-N332 PolarHBondContact N-O 3.48Å; N332-W350 VanDerWaalsContact OD1-CD1 3.27Å; N332-S351 WeakPolarHBondContact CA-O 3.38Å; N332-S351 PolarHBondContact OD1-OG 3.46Å
333I94.4Very high89Confident0 Ų042.3 Ų42.30%020%0.201CC..EExtended strand (participates in β ladder)trans-103.9130.7180-52.4-61.9000109.8V311 M313 L328 V331 L335 L345 L349 S351 V352 T353V311-I333 HydrophobicContact CB-CD1 3.77Å; V311-I333 HydrophobicContact CG1-CD1 4.31Å; V311-I333 HydrophobicContact CG2-CD1 4.43Å; V311-I333 WeakPolarHBondContact O-CA 3.45Å; M313-I333 HydrophobicContact CE-CG2 4.42Å; L328-I333 HydrophobicContact CD2-CD1 4.16Å; V331-I333 HydrophobicContact CB-CD1 4.29Å; V331-I333 HydrophobicContact CG1-CD1 4.01Å; I333-L335 HydrophobicContact CG2-CD2 3.96Å; I333-L335 HydrophobicContact CG2-CG 4.03Å; I333-L345 HydrophobicContact CG1-CD1 4.38Å; I333-L345 HydrophobicContact CG2-CD1 3.89Å; I333-L349 HydrophobicContact CD1-CD2 4.31Å; I333-L349 HydrophobicContact CG1-CD1 4.18Å; I333-L349 HydrophobicContact CG1-CD2 3.98Å; I333-S351 PolarHBondContact N-O 3.42Å; I333-V352 HydrophobicContact CB-CG1 4.26Å; I333-V352 HydrophobicContact CB-CG2 4.24Å; I333-V352 HydrophobicContact CG1-CG2 4.41Å; I333-V352 HydrophobicContact CG2-CG1 4.47Å; I333-V352 CarbonylContact O-C 3.43Å; I333-V352 WeakPolarHBondContact O-CA 3.33Å; I333-T353 PolarHBondContact O-N 3.28Å
334K93.6Very high89.5Confident20 Ų2039.3 Ų39.39%0.08719%0.188CC..EExtended strand (participates in β ladder)trans-117.3118.4166.7-170.1178.6-173.6163.40110.9W167 I272 V311 V312 M313 T353W167-K334 VanDerWaalsContact CB-NZ 3.34Å; W167-K334 HydrophobicContact CD2-CD 3.76Å; W167-K334 HydrophobicContact CE3-CD 4.15Å; W167-K334 HydrophobicContact CG-CD 4.04Å; W167-K334 HydrophobicContact CH2-CB 3.96Å; W167-K334 HydrophobicContact CZ2-CB 3.82Å; W167-K334 HydrophobicContact CZ2-CD 4.34Å; W167-K334 HydrophobicContact CZ2-CG 4.23Å; W167-K334 HydrophobicContact CZ3-CB 4.44Å; I272-K334 HydrophobicContact CD1-CD 3.4Å; I272-K334 VanDerWaalsContact CD1-CD 3.4Å; V311-K334 PolarHBondContact O-N 3.37Å; V312-K334 CarbonylContact C-O 3.49Å; V312-K334 WeakPolarHBondContact CA-O 3.24Å; V312-K334 HydrophobicContact CG1-CB 4.48Å; M313-K334 PolarHBondContact N-O 3.4Å; K334-T353 WeakPolarHBondContact CA-O 3.5Å
335L94.3Very high90.3Very high0 Ų035.4 Ų35.40%017%0.167CC..EExtended strand (participates in β ladder)trans-102.8117.6173.3-57.9178.2000108.1M313 I333 I343 T353 L354 D355 L362M313-L335 HydrophobicContact CB-CD2 3.59Å; M313-L335 HydrophobicContact CG-CD2 3.72Å; M313-L335 WeakPolarHBondContact O-CA 3.43Å; M313-L335 HydrophobicContact SD-CD2 3.58Å; M313-L335 VanDerWaalsContact SD-CD2 3.58Å; I333-L335 HydrophobicContact CG2-CD2 3.96Å; I333-L335 HydrophobicContact CG2-CG 4.03Å; L335-I343 HydrophobicContact CD1-CD1 4.41Å; L335-I343 HydrophobicContact CD2-CD1 4.49Å; L335-T353 PolarHBondContact N-O 3.01Å; L335-L354 HydrophobicContact CD1-CG 4.38Å; L335-D355 PolarHBondContact O-N 3.49Å; L335-L362 HydrophobicContact CD1-CD2 3.1Å
336H92.9Very high90.9Very high33 Ų3334.2 Ų34.215%0.15316%0.158CC..EExtended strand (participates in β ladder)trans-133.5122.6-171.3172.9-108.9000112.6M313 S314 Q315 C338 D355M313-H336 PolarHBondContact O-N 3.37Å; S314-H336 WeakPolarHBondContact CA-O 3.48Å; S314-H336 WeakPolarHBondContact CB-O 3.42Å; S314-H336 PolarHBondContact OG-ND1 3.33Å; S314-H336 VanDerWaalsContact OG-ND1 3.07Å; S314-H336 PolarHBondContact OG-O 2.89Å; Q315-H336 PolarHBondContact N-O 3.49Å; Q315-H336 VanDerWaalsContact N-O 3.09Å; H336-C338 VanDerWaalsContact C-N 3.31Å; H336-C338 PolarHBondContact O-N 2.97Å; H336-D355 VanDerWaalsContact CA-O 3.29Å; H336-D355 WeakPolarHBondContact CA-O 3.45Å; H336-D355 IonicContact CD2-OD2 3.83Å; H336-D355 PolarHBondContact CD2-OD2 2.64Å
337R90.6Very high91.5Very high130 Ų13026.3 Ų26.349%0.49112%0.122SC..SBendtrans56.940.7-179-55.4177.8-165.7178.64.8113.4Q315 D355 K356Q315-R337 WeakPolarHBondContact CA-O 3.39Å; R337-D355 PolarHBondContact N-O 3.08Å; R337-K356 VanDerWaalsContact CA-O 3.32Å; R337-K356 WeakPolarHBondContact CA-O 3.35Å; R337-K356 HydrophobicContact CG-CB 4.09Å
338C91.3Very high92Very high1 Ų120 Ų201%0.00710%0.095CC..  trans-81.9143170.2-56.90000109.6V316 H336 I343 C357 R358V316-C338 HydrophobicContact CB-CB 4.24Å; V316-C338 CarbonylContact O-C 3.58Å; V316-C338 WeakPolarHBondContact O-CA 3.45Å; V316-C338 WeakPolarHBondContact O-CB 3.47Å; H336-C338 VanDerWaalsContact C-N 3.31Å; H336-C338 PolarHBondContact O-N 2.97Å; C338-I343 HydrophobicContact CB-CD1 4.24Å; C338-C357 HydrophobicContact CB-CB 4.47Å; C338-C357 CarbonylContact O-C 3.52Å; C338-C357 WeakPolarHBondContact O-CA 3.32Å; C338-R358 PolarHBondContact O-N 2.82Å
339S91.9Very high92.4Very high30 Ų3019.8 Ų19.821%0.219%0.094CC..BIsolated β-bridgetrans-144.2134.9-175-171.50000111.8V316 C317 K318 A341 R358V316-S339 PolarHBondContact O-N 3.27Å; C317-S339 WeakPolarHBondContact CA-O 3.32Å; K318-S339 PolarHBondContact N-O 2.89Å; K318-S339 VanDerWaalsContact N-O 3.08Å; S339-A341 PolarHBondContact O-N 3.07Å; S339-R358 CarbonylContact C-O 3.51Å; S339-R358 WeakPolarHBondContact CA-O 3.33Å
340E88.9Confident92.6Very high59 Ų5919.8 Ų19.828%0.2769%0.091SC..SBendtrans53.744.7176.3-58.2168.9-99.800111.1K318 R358 N359K318-E340 WeakPolarHBondContact CA-O 3.31Å; K318-E340 VanDerWaalsContact CE-CD 3.46Å; K318-E340 WeakPolarHBondContact CE-OE1 3.38Å; K318-E340 WeakPolarHBondContact CE-OE2 3.33Å; K318-E340 HydrophobicContact CG-CB 4Å; K318-E340 PolarHBondContact N-O 3.29Å; K318-E340 VanDerWaalsContact N-O 3.09Å; K318-E340 IonicContact NZ-OE2 3.65Å; E340-R358 PolarHBondContact N-O 3.39Å; E340-N359 WeakPolarHBondContact CA-O 3.44Å; E340-N359 HydrophobicContact CG-CB 4.09Å; E340-N359 PolarHBondContact N-O 3.01Å
341A88.9Confident92.8Very high0 Ų017.5 Ų17.50%08%0.078CC..  trans-129.7145-17000000111.6V316 Q319 S339 I343 S360 T361V316-A341 HydrophobicContact CG1-CB 4.07Å; Q319-A341 WeakPolarHBondContact O-CA 3.13Å; Q319-A341 WeakPolarHBondContact O-CB 3.15Å; S339-A341 PolarHBondContact O-N 3.07Å; A341-I343 HydrophobicContact CB-CD1 4.49Å; A341-I343 HydrophobicContact CB-CG1 4.35Å; A341-S360 PolarHBondContact N-OG 3.25Å; A341-S360 VanDerWaalsContact N-OG 3.15Å; A341-S360 CarbonylContact O-C 3.58Å; A341-S360 WeakPolarHBondContact O-CA 3.38Å; A341-S360 WeakPolarHBondContact O-CB 3.37Å; A341-S360 PolarHBondContact O-OG 3.42Å; A341-S360 VanDerWaalsContact O-OG 3.13Å; A341-T361 PolarHBondContact O-N 2.74Å
342F89.8Confident92.9Very high23 Ų2317.4 Ų17.410%0.1018%0.078CC..EExtended strand (participates in β ladder)trans-108.4119.2172.8-58-94.9000108.3Q319 T320 L321 Y344 T361 E544Q319-F342 PolarHBondContact O-N 2.94Å; Q319-F342 VanDerWaalsContact O-N 3.12Å; T320-F342 CarbonylContact C-O 3.59Å; T320-F342 VanDerWaalsContact CA-O 3.28Å; T320-F342 WeakPolarHBondContact CA-O 3.36Å; T320-F342 HydrophobicContact CG2-CB 4.12Å; T320-F342 WeakPolarHBondContact OG1-CB 3.36Å; L321-F342 PolarHBondContact N-O 3.19Å; F342-Y344 HydrophobicContact CB-CE2 3.79Å; F342-T361 CarbonylContact C-O 3.57Å; F342-T361 WeakPolarHBondContact CA-O 3.32Å; F342-T361 HydrophobicContact CD1-CG2 4.45Å; F342-E544 HydrophobicContact CD1-CB 4.37Å; F342-E544 VanDerWaalsContact CD1-CD 3.45Å; F342-E544 HydrophobicContact CD1-CG 3.74Å; F342-E544 WeakPolarHBondContact CD1-OE1 3.42Å; F342-E544 HydrophobicContact CD2-CB 4.39Å; F342-E544 HydrophobicContact CD2-CG 4.26Å; F342-E544 HydrophobicContact CE1-CB 3.75Å; F342-E544 HydrophobicContact CE1-CG 3.56Å; F342-E544 VanDerWaalsContact CE1-OE2 3.22Å; F342-E544 WeakPolarHBondContact CE1-OE2 3.31Å; F342-E544 HydrophobicContact CE2-CB 3.77Å; F342-E544 HydrophobicContact CE2-CG 4.09Å; F342-E544 HydrophobicContact CG-CG 4.13Å; F342-E544 HydrophobicContact CZ-CB 3.43Å; F342-E544 VanDerWaalsContact CZ-CB 3.43Å; F342-E544 HydrophobicContact CZ-CG 3.76Å
343I92.2Very high93Very high1 Ų117.7 Ų17.71%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-125.9113.4-172.8-56.1175.8000109.5V316 L321 L335 C338 A341 L345 T361 L362 V363V316-I343 HydrophobicContact CB-CD1 4.43Å; V316-I343 HydrophobicContact CG1-CD1 4.42Å; L321-I343 HydrophobicContact CB-CG1 4.46Å; L321-I343 HydrophobicContact CD2-CG2 4.01Å; L321-I343 HydrophobicContact CG-CG2 4.42Å; L321-I343 CarbonylContact O-C 3.51Å; L321-I343 WeakPolarHBondContact O-CA 3.4Å; L335-I343 HydrophobicContact CD1-CD1 4.41Å; L335-I343 HydrophobicContact CD2-CD1 4.49Å; C338-I343 HydrophobicContact CB-CD1 4.24Å; A341-I343 HydrophobicContact CB-CD1 4.49Å; A341-I343 HydrophobicContact CB-CG1 4.35Å; I343-L345 HydrophobicContact CG2-CD1 4.38Å; I343-L345 HydrophobicContact CG2-CD2 4.09Å; I343-L345 HydrophobicContact CG2-CG 3.93Å; I343-T361 PolarHBondContact N-O 3.37Å; I343-L362 HydrophobicContact CB-CD2 4.3Å; I343-L362 HydrophobicContact CB-CG 4.17Å; I343-L362 HydrophobicContact CD1-CD2 4.35Å; I343-L362 CarbonylContact O-C 3.57Å; I343-L362 VanDerWaalsContact O-CA 3.26Å; I343-L362 WeakPolarHBondContact O-CA 3.49Å; I343-V363 PolarHBondContact O-N 2.91Å
344Y92.9Very high93.1Very high1 Ų117.7 Ų17.70%0.0048%0.08CC..EExtended strand (participates in β ladder)trans-110.9108.7178.8-56.5-98.3000109T320 L321 A322 K323 F342 V363 L472 F476 E544T320-Y344 HydrophobicContact CG2-CD2 4.18Å; T320-Y344 HydrophobicContact CG2-CE2 3.97Å; L321-Y344 PolarHBondContact O-N 3.01Å; A322-Y344 CarbonylContact C-O 3.59Å; A322-Y344 WeakPolarHBondContact CA-O 3.29Å; A322-Y344 HydrophobicContact CB-CD2 4.39Å; K323-Y344 PolarHBondContact N-O 2.83Å; F342-Y344 HydrophobicContact CB-CE2 3.79Å; Y344-V363 CarbonylContact C-O 3.59Å; Y344-V363 WeakPolarHBondContact CA-O 3.46Å; Y344-V363 HydrophobicContact CD1-CB 3.61Å; Y344-V363 HydrophobicContact CD1-CG1 4.31Å; Y344-V363 HydrophobicContact CD1-CG2 3.66Å; Y344-V363 HydrophobicContact CE1-CB 4.09Å; Y344-V363 HydrophobicContact CE1-CG2 3.57Å; Y344-V363 HydrophobicContact CG-CB 4.42Å; Y344-L472 HydrophobicContact CE1-CD2 4.38Å; Y344-F476 AromaticContact CD1-CE2 3.98Å; Y344-F476 HydrophobicContact CD1-CE2 3.98Å; Y344-F476 AromaticContact CD2-CE2 3.55Å; Y344-F476 HydrophobicContact CD2-CE2 3.55Å; Y344-F476 AromaticContact CD2-CZ 3.9Å; Y344-F476 HydrophobicContact CD2-CZ 3.9Å; Y344-F476 HydrophobicContact CE1-CE2 4.31Å; Y344-F476 AromaticContact CE2-CE2 3.9Å; Y344-F476 HydrophobicContact CE2-CE2 3.9Å; Y344-F476 HydrophobicContact CE2-CZ 4.07Å; Y344-F476 AromaticContact CG-CE2 3.6Å; Y344-F476 HydrophobicContact CG-CE2 3.6Å; Y344-F476 HydrophobicContact CG-CZ 4.41Å; Y344-E544 PolarHBondContact OH-OE1 3Å
345L94.1Very high93.1Very high0 Ų017.3 Ų17.30%08%0.079CC..EExtended strand (participates in β ladder)trans-113.783.5177.1-57.5-178.3000108.9M313 L328 I333 I343 S347 L349 V363 L364 G365M313-L345 HydrophobicContact CE-CD1 4.15Å; M313-L345 HydrophobicContact CE-CD2 3.77Å; M313-L345 HydrophobicContact SD-CD2 4.34Å; L328-L345 HydrophobicContact CD1-CD2 4.21Å; I333-L345 HydrophobicContact CG1-CD1 4.38Å; I333-L345 HydrophobicContact CG2-CD1 3.89Å; I343-L345 HydrophobicContact CG2-CD1 4.38Å; I343-L345 HydrophobicContact CG2-CD2 4.09Å; I343-L345 HydrophobicContact CG2-CG 3.93Å; L345-S347 PolarHBondContact O-N 2.91Å; L345-L349 HydrophobicContact CB-CD1 4.16Å; L345-L349 HydrophobicContact CD1-CD1 4.44Å; L345-V363 PolarHBondContact N-O 3.35Å; L345-L364 HydrophobicContact CB-CD2 4.11Å; L345-L364 HydrophobicContact CD1-CD2 4.07Å; L345-L364 HydrophobicContact CG-CD2 4.3Å; L345-G365 PolarHBondContact O-N 2.94Å
346L93Very high93.1Very high4 Ų421.2 Ų21.22%0.02110%0.096CC..  trans-94.164-168.6-51.7179.4000110.4K323 V363 Y424 I474 M478K323-L346 PolarHBondContact O-N 2.87Å; L346-V363 HydrophobicContact CD2-CG1 3.98Å; L346-Y424 HydrophobicContact CB-CE1 4.42Å; L346-Y424 HydrophobicContact CB-CE2 4.45Å; L346-Y424 HydrophobicContact CD2-CD1 3.99Å; L346-Y424 HydrophobicContact CD2-CE1 4.07Å; L346-I474 HydrophobicContact CD1-CD1 4.18Å; L346-I474 HydrophobicContact CD1-CG2 3.77Å; L346-I474 HydrophobicContact CD2-CD1 3.95Å; L346-M478 HydrophobicContact CB-CE 4.3Å; L346-M478 HydrophobicContact CD1-CE 4.33Å; L346-M478 HydrophobicContact CD1-SD 3.51Å; L346-M478 VanDerWaalsContact CD1-SD 3.51Å
347S93.4Very high93.2Very high3 Ų319.7 Ų19.72%0.0219%0.089CC..SBendtrans-149.7158.6179.6-57.60000109.2S325 L345 L349S325-S347 PolarHBondContact N-OG 2.97Å; S325-S347 PolarHBondContact O-OG 3.09Å; L345-S347 PolarHBondContact O-N 2.91Å; S347-L349 WeakPolarHBondContact O-CG 3.17Å; S347-L349 PolarHBondContact O-N 3.43Å
348P94.8Very high93.4Very high9 Ų919.9 Ų19.96%0.0589%0.09CC..  trans-68.7116.3175.526.7-33000110.3N329 D330 P366 H430N329-P348 CarbonylContact C-O 3.56Å; N329-P348 VanDerWaalsContact CA-O 3.28Å; N329-P348 WeakPolarHBondContact CA-O 3.19Å; N329-P348 HydrophobicContact CB-CG 4.33Å; N329-P348 WeakPolarHBondContact OD1-CD 3.44Å; D330-P348 PolarHBondContact N-O 3.46Å; P348-P366 CarbonylContact C-O 3.57Å; P348-P366 WeakPolarHBondContact CA-O 3.41Å; P348-H430 HydrophobicContact CB-CB 4.41Å
349L95.5Very high93.5Very high1 Ų123.5 Ų23.51%0.00511%0.109CC..BIsolated β-bridgetrans-103.6151.3-175.4-54176000110.8L328 I333 L345 S347 V352 L364 P366 V367 R368L328-L349 HydrophobicContact CB-CD2 4.14Å; I333-L349 HydrophobicContact CD1-CD2 4.31Å; I333-L349 HydrophobicContact CG1-CD1 4.18Å; I333-L349 HydrophobicContact CG1-CD2 3.98Å; L345-L349 HydrophobicContact CB-CD1 4.16Å; L345-L349 HydrophobicContact CD1-CD1 4.44Å; S347-L349 WeakPolarHBondContact O-CG 3.17Å; S347-L349 PolarHBondContact O-N 3.43Å; L349-V352 HydrophobicContact CB-CG2 4.09Å; L349-V352 HydrophobicContact CD1-CG2 3.45Å; L349-V352 VanDerWaalsContact CD1-CG2 3.45Å; L349-V352 HydrophobicContact CG-CG2 4.39Å; L349-L364 HydrophobicContact CD1-CD2 4.35Å; L349-P366 PolarHBondContact N-O 3.4Å; L349-V367 HydrophobicContact CB-CG2 4.24Å; L349-V367 HydrophobicContact CD1-CG2 4.34Å; L349-V367 WeakPolarHBondContact O-CA 3.42Å; L349-R368 PolarHBondContact O-N 2.9Å
350W93.8Very high93.5Very high48 Ų4822.2 Ų22.218%0.18210%0.1CC..SBendtrans-77.2-58.1175.3-168.2-91.3000111.2E13 D330 V331 N332 R368 T369E13-W350 VanDerWaalsContact OE1-CE2 3.27Å; E13-W350 WeakPolarHBondContact OE1-CZ2 3.21Å; E13-W350 PolarHBondContact OE1-NE1 3.05Å; D330-W350 HydrophobicContact CB-CE3 4.08Å; V331-W350 PolarHBondContact O-N 3.23Å; N332-W350 VanDerWaalsContact OD1-CD1 3.27Å; W350-R368 VanDerWaalsContact CE3-NH1 3.26Å; W350-T369 HydrophobicContact CD2-CG2 4.49Å; W350-T369 HydrophobicContact CZ2-CG2 4.34Å; W350-T369 WeakPolarHBondContact O-CB 3.25Å; W350-T369 PolarHBondContact O-N 3.13Å; W350-T369 PolarHBondContact O-OG1 3.07Å
351S95Very high93.8Very high3 Ų320 Ų202%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-147.2154.1177.174.90000109.8N332 I333 T369 S370N332-S351 WeakPolarHBondContact CA-O 3.38Å; N332-S351 PolarHBondContact OD1-OG 3.46Å; I333-S351 PolarHBondContact N-O 3.42Å; S351-T369 WeakPolarHBondContact CB-OG1 3.35Å; S351-S370 WeakPolarHBondContact CA-O 3.5Å
352V96.6Very high94.1Very high0 Ų020 Ų200%09%0.09CC..EExtended strand (participates in β ladder)trans-133.7129176.9-173.40000109.7I333 L349 L354 L364 V367 S370 V371 H372I333-V352 HydrophobicContact CB-CG1 4.26Å; I333-V352 HydrophobicContact CB-CG2 4.24Å; I333-V352 HydrophobicContact CG1-CG2 4.41Å; I333-V352 HydrophobicContact CG2-CG1 4.47Å; I333-V352 CarbonylContact O-C 3.43Å; I333-V352 WeakPolarHBondContact O-CA 3.33Å; L349-V352 HydrophobicContact CB-CG2 4.09Å; L349-V352 HydrophobicContact CD1-CG2 3.45Å; L349-V352 VanDerWaalsContact CD1-CG2 3.45Å; L349-V352 HydrophobicContact CG-CG2 4.39Å; V352-L354 HydrophobicContact CG1-CD1 3.84Å; V352-L364 HydrophobicContact CB-CD1 4.2Å; V352-L364 HydrophobicContact CG1-CD1 3.94Å; V352-L364 HydrophobicContact CG1-CD2 4.4Å; V352-L364 HydrophobicContact CG2-CD1 4.19Å; V352-V367 HydrophobicContact CG2-CG1 4.04Å; V352-V367 HydrophobicContact CG2-CG2 3.79Å; V352-S370 PolarHBondContact N-O 2.6Å; V352-V371 HydrophobicContact CB-CG2 4.35Å; V352-V371 CarbonylContact O-C 3.46Å; V352-V371 WeakPolarHBondContact O-CA 3.24Å; V352-H372 PolarHBondContact O-N 2.93Å
353T95.4Very high94.4Very high5 Ų519 Ų193%0.0319%0.086CC..EExtended strand (participates in β ladder)trans-118.3125.2171.5-60.70000110.7W167 I333 K334 L335 D355 H372W167-T353 PolarHBondContact NE1-OG1 3.23Å; I333-T353 PolarHBondContact O-N 3.28Å; K334-T353 WeakPolarHBondContact CA-O 3.5Å; L335-T353 PolarHBondContact N-O 3.01Å; T353-D355 HydrophobicContact CG2-CB 4.48Å; T353-H372 CarbonylContact C-O 3.52Å; T353-H372 WeakPolarHBondContact CA-O 3.12Å; T353-H372 HydrophobicContact CG2-CB 4.43Å
354L95.7Very high94.6Very high0 Ų019.1 Ų19.10%09%0.086CC..EExtended strand (participates in β ladder)trans-102.6121169.5-68.274.7000107.9L335 V352 L362 V371 H372 I373 Q374 V379 V381L335-L354 HydrophobicContact CD1-CG 4.38Å; V352-L354 HydrophobicContact CG1-CD1 3.84Å; L354-L362 HydrophobicContact CD2-CD1 3.82Å; L354-L362 HydrophobicContact CD2-CD2 3.68Å; L354-L362 HydrophobicContact CD2-CG 4.29Å; L354-L362 HydrophobicContact CG-CD2 4.03Å; L354-V371 HydrophobicContact CD1-CG1 4.27Å; L354-H372 PolarHBondContact N-O 3.02Å; L354-I373 HydrophobicContact CD1-CG1 4.35Å; L354-I373 HydrophobicContact CD2-CG1 4.49Å; L354-Q374 PolarHBondContact O-N 2.91Å; L354-V379 HydrophobicContact CD2-CG1 4.09Å; L354-V381 HydrophobicContact CD2-CG2 3.64Å
355D93.9Very high94.7Very high13 Ų1319 Ų197%0.079%0.086CC..EExtended strand (participates in β ladder)trans-132119.6-177.4-177.521.2000110.4L335 H336 R337 T353 C357 Q374L335-D355 PolarHBondContact O-N 3.49Å; H336-D355 VanDerWaalsContact CA-O 3.29Å; H336-D355 WeakPolarHBondContact CA-O 3.45Å; H336-D355 IonicContact CD2-OD2 3.83Å; H336-D355 PolarHBondContact CD2-OD2 2.64Å; R337-D355 PolarHBondContact N-O 3.08Å; T353-D355 HydrophobicContact CG2-CB 4.48Å; D355-C357 VanDerWaalsContact C-N 3.31Å; D355-C357 PolarHBondContact O-N 2.91Å; D355-Q374 WeakPolarHBondContact CA-O 3.48Å
356K93.7Very high94.8Very high82 Ų8219 Ų1936%0.3579%0.086SC..SBendtrans60.334.9177.6-62.8167.6-175.2-176.70114.1R337 Q374 S375R337-K356 VanDerWaalsContact CA-O 3.32Å; R337-K356 WeakPolarHBondContact CA-O 3.35Å; R337-K356 HydrophobicContact CG-CB 4.09Å; K356-Q374 PolarHBondContact N-O 3.32Å; K356-S375 VanDerWaalsContact CA-O 3.29Å; K356-S375 WeakPolarHBondContact CA-O 3.3Å
357C94.7Very high95Very high1 Ų118.9 Ų18.91%0.0079%0.085CC..  trans-88.8147.5176.9-63.20000111.6C338 D355 C376 E377 V379C338-C357 HydrophobicContact CB-CB 4.47Å; C338-C357 CarbonylContact O-C 3.52Å; C338-C357 WeakPolarHBondContact O-CA 3.32Å; D355-C357 VanDerWaalsContact C-N 3.31Å; D355-C357 PolarHBondContact O-N 2.91Å; C357-C376 CarbonylContact O-C 3.52Å; C357-C376 VanDerWaalsContact O-CA 3.23Å; C357-C376 WeakPolarHBondContact O-CA 3.34Å; C357-E377 PolarHBondContact O-N 3.13Å; C357-V379 HydrophobicContact CB-CG2 4.15Å; C357-V379 WeakPolarHBondContact O-CG2 3.32Å
358R95.3Very high95Very high134 Ų13420.4 Ų20.451%0.5069%0.091SC..EExtended strand (participates in β ladder)trans-137.8142.7-176-55.7-167.2176.3178.1-6.7113.4C338 S339 E340 S360 E377C338-R358 PolarHBondContact O-N 2.82Å; S339-R358 CarbonylContact C-O 3.51Å; S339-R358 WeakPolarHBondContact CA-O 3.33Å; E340-R358 PolarHBondContact N-O 3.39Å; R358-S360 PolarHBondContact O-N 2.96Å; R358-S360 VanDerWaalsContact O-N 3.12Å; R358-S360 PolarHBondContact O-OG 2.96Å; R358-E377 CarbonylContact C-O 3.53Å; R358-E377 WeakPolarHBondContact CA-O 3.36Å; R358-E377 HydrophobicContact CG-CB 4.08Å; R358-E377 IonicContact CZ-OE2 3.17Å; R358-E377 IonicContact NE-OE2 3.02Å; R358-E377 PolarHBondContact NE-OE2 2.95Å; R358-E377 IonicContact NH1-OE2 2.85Å
359N93Very high95Very high76 Ų7620 Ų2041%0.4069%0.088SC..EExtended strand (participates in β ladder)trans50.340.8172.7-58.2-36.7000112.8E340 E377 N378E340-N359 WeakPolarHBondContact CA-O 3.44Å; E340-N359 HydrophobicContact CG-CB 4.09Å; E340-N359 PolarHBondContact N-O 3.01Å; N359-E377 PolarHBondContact N-O 3.47Å; N359-N378 WeakPolarHBondContact CA-O 3.44Å; N359-N378 PolarHBondContact N-O 2.67Å; N359-N378 WeakPolarHBondContact OD1-CB 3.4Å; N359-N378 PolarHBondContact OD1-ND2 2.97Å
360S93.7Very high94.9Very high3 Ų320.5 Ų20.52%0.0219%0.092CC..EExtended strand (participates in β ladder)trans-123.7145-170.7-84.20000111.5A341 R358 N378 V379 R380A341-S360 PolarHBondContact N-OG 3.25Å; A341-S360 VanDerWaalsContact N-OG 3.15Å; A341-S360 CarbonylContact O-C 3.58Å; A341-S360 WeakPolarHBondContact O-CA 3.38Å; A341-S360 WeakPolarHBondContact O-CB 3.37Å; A341-S360 PolarHBondContact O-OG 3.42Å; A341-S360 VanDerWaalsContact O-OG 3.13Å; R358-S360 PolarHBondContact O-N 2.96Å; R358-S360 VanDerWaalsContact O-N 3.12Å; R358-S360 PolarHBondContact O-OG 2.96Å; S360-N378 PolarHBondContact N-O 3.27Å; S360-V379 CarbonylContact O-C 3.54Å; S360-V379 VanDerWaalsContact O-CA 3.31Å; S360-V379 WeakPolarHBondContact O-CA 3.39Å; S360-R380 PolarHBondContact O-N 3.05Å
361T93.9Very high95.1Very high13 Ų1318.2 Ų18.28%0.088%0.083CC..EExtended strand (participates in β ladder)trans-106.1133.5167.9-65.50000109.3A341 F342 I343 V363 R380 L472A341-T361 PolarHBondContact O-N 2.74Å; F342-T361 CarbonylContact C-O 3.57Å; F342-T361 WeakPolarHBondContact CA-O 3.32Å; F342-T361 HydrophobicContact CD1-CG2 4.45Å; I343-T361 PolarHBondContact N-O 3.37Å; T361-V363 HydrophobicContact CG2-CG2 4.5Å; T361-R380 CarbonylContact C-O 3.44Å; T361-R380 WeakPolarHBondContact CA-O 3.28Å; T361-R380 HydrophobicContact CG2-CB 4.46Å; T361-R380 HydrophobicContact CG2-CG 4.46Å; T361-R380 PolarHBondContact OG1-NE 3.4Å; T361-R380 PolarHBondContact OG1-NH2 3.5Å; T361-L472 HydrophobicContact CG2-CD1 3.93Å
362L95.9Very high95.1Very high1 Ų118.9 Ų18.91%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-127.9128.8178.2-64.993.8000110.3L335 I343 L354 V379 R380 V381 V382L335-L362 HydrophobicContact CD1-CD2 3.1Å; I343-L362 HydrophobicContact CB-CD2 4.3Å; I343-L362 HydrophobicContact CB-CG 4.17Å; I343-L362 HydrophobicContact CD1-CD2 4.35Å; I343-L362 CarbonylContact O-C 3.57Å; I343-L362 VanDerWaalsContact O-CA 3.26Å; I343-L362 WeakPolarHBondContact O-CA 3.49Å; L354-L362 HydrophobicContact CD2-CD1 3.82Å; L354-L362 HydrophobicContact CD2-CD2 3.68Å; L354-L362 HydrophobicContact CD2-CG 4.29Å; L354-L362 HydrophobicContact CG-CD2 4.03Å; L362-V379 HydrophobicContact CD1-CG1 3.52Å; L362-R380 PolarHBondContact N-O 3.43Å; L362-V381 CarbonylContact O-C 3.53Å; L362-V381 WeakPolarHBondContact O-CA 3.34Å; L362-V382 PolarHBondContact O-N 2.86Å
363V95.8Very high95.1Very high2 Ų219 Ų191%0.0129%0.086CC..EExtended strand (participates in β ladder)trans-118.2119.2173.1-175.60000107.5I343 Y344 L345 L346 T361 L472 I474I343-V363 PolarHBondContact O-N 2.91Å; Y344-V363 CarbonylContact C-O 3.59Å; Y344-V363 WeakPolarHBondContact CA-O 3.46Å; Y344-V363 HydrophobicContact CD1-CB 3.61Å; Y344-V363 HydrophobicContact CD1-CG1 4.31Å; Y344-V363 HydrophobicContact CD1-CG2 3.66Å; Y344-V363 HydrophobicContact CE1-CB 4.09Å; Y344-V363 HydrophobicContact CE1-CG2 3.57Å; Y344-V363 HydrophobicContact CG-CB 4.42Å; L345-V363 PolarHBondContact N-O 3.35Å; L346-V363 HydrophobicContact CD2-CG1 3.98Å; T361-V363 HydrophobicContact CG2-CG2 4.5Å; V363-L472 HydrophobicContact CG2-CD1 3.82Å; V363-L472 HydrophobicContact CG2-CD2 3.78Å; V363-I474 HydrophobicContact CG1-CD1 4.2Å; V363-I474 HydrophobicContact CG1-CG1 4.45Å
364L96.6Very high94.9Very high2 Ų219.3 Ų19.31%0.019%0.088CC..EExtended strand (participates in β ladder)trans-114.2138.2-175.1-54.9176.5000109.6L345 L349 V352 V367 V371 V381 V382 C383L345-L364 HydrophobicContact CB-CD2 4.11Å; L345-L364 HydrophobicContact CD1-CD2 4.07Å; L345-L364 HydrophobicContact CG-CD2 4.3Å; L349-L364 HydrophobicContact CD1-CD2 4.35Å; V352-L364 HydrophobicContact CB-CD1 4.2Å; V352-L364 HydrophobicContact CG1-CD1 3.94Å; V352-L364 HydrophobicContact CG1-CD2 4.4Å; V352-L364 HydrophobicContact CG2-CD1 4.19Å; L364-V367 HydrophobicContact CB-CG2 4.4Å; L364-V367 HydrophobicContact CD1-CG2 4.46Å; L364-V371 HydrophobicContact CD1-CG1 4.39Å; L364-V371 HydrophobicContact CD1-CG2 4.18Å; L364-V381 HydrophobicContact CD1-CG1 4.21Å; L364-V382 PolarHBondContact N-O 2.93Å; L364-C383 HydrophobicContact CB-CB 3.9Å; L364-C383 HydrophobicContact CD1-CB 3.99Å; L364-C383 HydrophobicContact CG-CB 4.32Å
365G94.6Very high94.8Very high0 Ų021 Ų210%010%0.099CC..  trans-64.4175160.600000111.5L345 V367 Y424L345-G365 PolarHBondContact O-N 2.94Å; G365-V367 WeakPolarHBondContact O-CG2 3.42Å; G365-V367 PolarHBondContact O-N 3.44Å; G365-Y424 WeakPolarHBondContact CA-OH 3.48Å
366P96.2Very high94.8Very high0 Ų020.4 Ų20.40%010%0.096CC..  trans-54.6124.3-177.8-29.437.7000112.8P348 L349 Y424 L427 H430 M431 A434 L436P348-P366 CarbonylContact C-O 3.57Å; P348-P366 WeakPolarHBondContact CA-O 3.41Å; L349-P366 PolarHBondContact N-O 3.4Å; P366-Y424 WeakPolarHBondContact CD-OH 3.5Å; P366-L427 HydrophobicContact CG-CD1 3.65Å; P366-H430 HydrophobicContact CG-CB 3.78Å; P366-M431 HydrophobicContact CB-CG 4.17Å; P366-M431 HydrophobicContact CG-CB 4.26Å; P366-M431 HydrophobicContact CG-CG 3.45Å; P366-M431 VanDerWaalsContact CG-CG 3.45Å; P366-A434 HydrophobicContact CB-CB 3.84Å; P366-L436 HydrophobicContact CB-CD1 4.12Å
367V96.6Very high95Very high0 Ų020.1 Ų20.10%010%0.096CC..EExtended strand (participates in β ladder)trans-105.2105-179.6-172.60000109.2L349 V352 L364 G365 T369 V371 V384 A385 G386 L436L349-V367 HydrophobicContact CB-CG2 4.24Å; L349-V367 HydrophobicContact CD1-CG2 4.34Å; L349-V367 WeakPolarHBondContact O-CA 3.42Å; V352-V367 HydrophobicContact CG2-CG1 4.04Å; V352-V367 HydrophobicContact CG2-CG2 3.79Å; L364-V367 HydrophobicContact CB-CG2 4.4Å; L364-V367 HydrophobicContact CD1-CG2 4.46Å; G365-V367 WeakPolarHBondContact O-CG2 3.42Å; G365-V367 PolarHBondContact O-N 3.44Å; V367-T369 VanDerWaalsContact C-N 3.32Å; V367-T369 PolarHBondContact O-N 3.34Å; V367-V371 HydrophobicContact CB-CG2 3.86Å; V367-V371 HydrophobicContact CG1-CG2 3.94Å; V367-V371 HydrophobicContact CG2-CG2 3.64Å; V367-V384 PolarHBondContact N-O 3.43Å; V367-A385 HydrophobicContact CB-CB 4.18Å; V367-A385 WeakPolarHBondContact O-CA 3.5Å; V367-G386 PolarHBondContact O-N 3.4Å; V367-L436 WeakPolarHBondContact O-CD1 3.36Å
368R94.6Very high95.1Very high36 Ų3623.6 Ų23.614%0.13612%0.115CC..EExtended strand (participates in β ladder)trans-54.9-44.2-172.3178.1176.5-69.7136.42.5113.3D330 L349 W350 S433 A434D330-R368 IonicContact OD1-CZ 3.62Å; D330-R368 VanDerWaalsContact OD1-CZ 3.3Å; D330-R368 IonicContact OD1-NH1 3.44Å; D330-R368 PolarHBondContact OD1-NH1 3.11Å; D330-R368 IonicContact OD1-NH2 3.8Å; D330-R368 PolarHBondContact OD1-NH2 2.96Å; L349-R368 PolarHBondContact O-N 2.9Å; W350-R368 VanDerWaalsContact CE3-NH1 3.26Å; R368-S433 PolarHBondContact NH2-O 3.42Å; R368-A434 HydrophobicContact CB-CB 4.46Å; R368-A434 WeakPolarHBondContact CG-O 3.24Å; R368-A434 PolarHBondContact NE-O 3.02Å
369T93.9Very high95.1Very high0 Ų017.3 Ų17.30%09%0.091CC..EExtended strand (participates in β ladder)trans-99.4-86.7-174.564.90000112W350 S351 V367 G386 R387W350-T369 HydrophobicContact CD2-CG2 4.49Å; W350-T369 HydrophobicContact CZ2-CG2 4.34Å; W350-T369 WeakPolarHBondContact O-CB 3.25Å; W350-T369 PolarHBondContact O-N 3.13Å; W350-T369 PolarHBondContact O-OG1 3.07Å; S351-T369 WeakPolarHBondContact CB-OG1 3.35Å; V367-T369 VanDerWaalsContact C-N 3.32Å; V367-T369 PolarHBondContact O-N 3.34Å; T369-G386 CarbonylContact O-C 3.4Å; T369-G386 WeakPolarHBondContact O-CA 3.25Å; T369-R387 PolarHBondContact O-N 2.81Å
370S93.9Very high95.3Very high12 Ų1217.2 Ų17.28%0.0849%0.085CC..EExtended strand (participates in β ladder)trans-141.6143.9-173.3-166.30000112.9S351 V352 R387S351-S370 WeakPolarHBondContact CA-O 3.5Å; V352-S370 PolarHBondContact N-O 2.6Å; S370-R387 CarbonylContact C-O 3.52Å; S370-R387 VanDerWaalsContact CA-O 3.26Å; S370-R387 WeakPolarHBondContact CA-O 3.29Å; S370-R387 PolarHBondContact OG-O 2.83Å
371V97.3Very high95.5Very high0 Ų017.1 Ų17.10%08%0.084CC..EExtended strand (participates in β ladder)trans-100.7123.8161.3177.50000108.2V352 L354 L364 V367 I373 C383 A385 R387 L388 T389V352-V371 HydrophobicContact CB-CG2 4.35Å; V352-V371 CarbonylContact O-C 3.46Å; V352-V371 WeakPolarHBondContact O-CA 3.24Å; L354-V371 HydrophobicContact CD1-CG1 4.27Å; L364-V371 HydrophobicContact CD1-CG1 4.39Å; L364-V371 HydrophobicContact CD1-CG2 4.18Å; V367-V371 HydrophobicContact CB-CG2 3.86Å; V367-V371 HydrophobicContact CG1-CG2 3.94Å; V367-V371 HydrophobicContact CG2-CG2 3.64Å; V371-I373 HydrophobicContact CG1-CG1 4.2Å; V371-C383 HydrophobicContact CG2-CB 4.45Å; V371-A385 HydrophobicContact CB-CB 4.34Å; V371-A385 HydrophobicContact CG2-CB 3.7Å; V371-R387 PolarHBondContact N-O 3.17Å; V371-L388 HydrophobicContact CB-CD1 4.02Å; V371-L388 HydrophobicContact CG1-CD1 4.01Å; V371-T389 PolarHBondContact O-N 3.28Å
372H95.4Very high95.7Very high17 Ų1716.5 Ų16.58%0.0798%0.08CC..EExtended strand (participates in β ladder)trans-116.3121179.1-175.154.2000110.3P21 V352 T353 L354 Q374 T389P21-H372 WeakPolarHBondContact CG-CE1 3.49Å; V352-H372 PolarHBondContact O-N 2.93Å; T353-H372 CarbonylContact C-O 3.52Å; T353-H372 WeakPolarHBondContact CA-O 3.12Å; T353-H372 HydrophobicContact CG2-CB 4.43Å; L354-H372 PolarHBondContact N-O 3.02Å; H372-Q374 PolarHBondContact NE2-OE1 3.46Å; H372-T389 CarbonylContact C-O 3.58Å; H372-T389 WeakPolarHBondContact CA-O 3.34Å; H372-T389 WeakPolarHBondContact ND1-CG2 3.32Å
373I95.9Very high95.7Very high1 Ų116.4 Ų16.41%0.0058%0.08CC..EExtended strand (participates in β ladder)trans-114.3117.1-179.2-55.2174.4000108.1L354 V371 C376 V381 L388 T389 I390 G391 I398L354-I373 HydrophobicContact CD1-CG1 4.35Å; L354-I373 HydrophobicContact CD2-CG1 4.49Å; V371-I373 HydrophobicContact CG1-CG1 4.2Å; I373-C376 HydrophobicContact CG2-CB 3.84Å; I373-V381 HydrophobicContact CD1-CB 4.19Å; I373-V381 HydrophobicContact CD1-CG1 4.49Å; I373-V381 HydrophobicContact CD1-CG2 3.76Å; I373-L388 HydrophobicContact CD1-CD1 4.21Å; I373-T389 PolarHBondContact N-O 2.82Å; I373-I390 HydrophobicContact CB-CG1 4.39Å; I373-I390 HydrophobicContact CB-CG2 4.29Å; I373-I390 HydrophobicContact CD1-CG1 4.28Å; I373-I390 HydrophobicContact CG2-CG2 4.47Å; I373-I390 CarbonylContact O-C 3.55Å; I373-I390 WeakPolarHBondContact O-CA 3.44Å; I373-G391 PolarHBondContact O-N 2.63Å; I373-I398 HydrophobicContact CD1-CG1 3.79Å
374Q92.9Very high95.8Very high13 Ų1316.4 Ų16.46%0.0618%0.08CC..EExtended strand (participates in β ladder)trans-135.2132.1-175.7-175.9171.3-1300112.6N164 L354 D355 K356 H372 C376 G391N164-Q374 PolarHBondContact ND2-OE1 3.34Å; L354-Q374 PolarHBondContact O-N 2.91Å; D355-Q374 WeakPolarHBondContact CA-O 3.48Å; K356-Q374 PolarHBondContact N-O 3.32Å; H372-Q374 PolarHBondContact NE2-OE1 3.46Å; Q374-C376 PolarHBondContact O-N 3.27Å; Q374-C376 PolarHBondContact O-SG 2.82Å; Q374-G391 VanDerWaalsContact CA-O 3.31Å; Q374-G391 WeakPolarHBondContact CA-O 3.5Å
375S92.4Very high95.8Very high34 Ų3416.3 Ų16.324%0.2388%0.079CC..SBendtrans56.433.5174.1-58.70000112.9K356 G391 G392 S393K356-S375 VanDerWaalsContact CA-O 3.29Å; K356-S375 WeakPolarHBondContact CA-O 3.3Å; S375-G391 PolarHBondContact N-O 2.68Å; S375-G391 VanDerWaalsContact N-O 3.1Å; S375-G392 VanDerWaalsContact CA-O 3.26Å; S375-G392 WeakPolarHBondContact CA-O 3.3Å; S375-S393 PolarHBondContact N-OG 2.94Å
376C95.5Very high95.8Very high2 Ų216.4 Ų16.41%0.0148%0.08CC..  trans-95.9151.3-179.6-71.20000111.3C357 I373 Q374 V379 S393 F394C357-C376 CarbonylContact O-C 3.52Å; C357-C376 VanDerWaalsContact O-CA 3.23Å; C357-C376 WeakPolarHBondContact O-CA 3.34Å; I373-C376 HydrophobicContact CG2-CB 3.84Å; Q374-C376 PolarHBondContact O-N 3.27Å; Q374-C376 PolarHBondContact O-SG 2.82Å; C376-V379 HydrophobicContact CB-CB 4.31Å; C376-V379 HydrophobicContact CB-CG2 3.89Å; C376-S393 PolarHBondContact N-OG 3.17Å; C376-S393 CarbonylContact O-C 3.59Å; C376-S393 VanDerWaalsContact O-CA 3.23Å; C376-S393 WeakPolarHBondContact O-CA 3.25Å; C376-S393 WeakPolarHBondContact O-CB 3.13Å; C376-F394 PolarHBondContact O-N 3.37Å
377E97Very high95.7Very high76 Ų7616.6 Ų16.636%0.3558%0.081SC..EExtended strand (participates in β ladder)trans-133.9126.2-176.7-179.6179.5178.200110.6C357 R358 N359 V379 F394C357-E377 PolarHBondContact O-N 3.13Å; R358-E377 CarbonylContact C-O 3.53Å; R358-E377 WeakPolarHBondContact CA-O 3.36Å; R358-E377 HydrophobicContact CG-CB 4.08Å; R358-E377 IonicContact CZ-OE2 3.17Å; R358-E377 IonicContact NE-OE2 3.02Å; R358-E377 PolarHBondContact NE-OE2 2.95Å; R358-E377 IonicContact NH1-OE2 2.85Å; N359-E377 PolarHBondContact N-O 3.47Å; E377-V379 VanDerWaalsContact C-N 3.27Å; E377-V379 PolarHBondContact O-N 3.43Å; E377-F394 CarbonylContact C-O 3.59Å; E377-F394 WeakPolarHBondContact CA-O 3.23Å; E377-F394 HydrophobicContact CG-CD1 4.15Å
378N95.6Very high95.7Very high74 Ų7416.6 Ų16.640%0.3968%0.081SC..EExtended strand (participates in β ladder)trans52.646.7178.4-167.139.5000112.4N359 S360 F394 N395N359-N378 WeakPolarHBondContact CA-O 3.44Å; N359-N378 PolarHBondContact N-O 2.67Å; N359-N378 WeakPolarHBondContact OD1-CB 3.4Å; N359-N378 PolarHBondContact OD1-ND2 2.97Å; S360-N378 PolarHBondContact N-O 3.27Å; N378-F394 PolarHBondContact N-O 3.2Å; N378-N395 VanDerWaalsContact CA-O 3.27Å; N378-N395 WeakPolarHBondContact CA-O 3.5Å; N378-N395 PolarHBondContact OD1-ND2 2.92Å
379V97Very high95.7Very high2 Ų215.1 Ų15.11%0.0128%0.076CC..EExtended strand (participates in β ladder)trans-107.7132.4-179.2176.20000109.9L354 C357 S360 L362 C376 E377 V381 C396 T397L354-V379 HydrophobicContact CD2-CG1 4.09Å; C357-V379 HydrophobicContact CB-CG2 4.15Å; C357-V379 WeakPolarHBondContact O-CG2 3.32Å; S360-V379 CarbonylContact O-C 3.54Å; S360-V379 VanDerWaalsContact O-CA 3.31Å; S360-V379 WeakPolarHBondContact O-CA 3.39Å; L362-V379 HydrophobicContact CD1-CG1 3.52Å; C376-V379 HydrophobicContact CB-CB 4.31Å; C376-V379 HydrophobicContact CB-CG2 3.89Å; E377-V379 VanDerWaalsContact C-N 3.27Å; E377-V379 PolarHBondContact O-N 3.43Å; V379-V381 HydrophobicContact CG1-CG2 3.75Å; V379-C396 CarbonylContact O-C 3.35Å; V379-C396 WeakPolarHBondContact O-CA 3.39Å; V379-C396 WeakPolarHBondContact O-CB 3.49Å; V379-T397 PolarHBondContact O-N 3.37Å
380R96.8Very high95.7Very high73 Ų7315.1 Ų15.128%0.2758%0.076SC..EExtended strand (participates in β ladder)trans-101.7124.5170.1179.4172.156.7157-2.4109.6S360 T361 L362 T397S360-R380 PolarHBondContact O-N 3.05Å; T361-R380 CarbonylContact C-O 3.44Å; T361-R380 WeakPolarHBondContact CA-O 3.28Å; T361-R380 HydrophobicContact CG2-CB 4.46Å; T361-R380 HydrophobicContact CG2-CG 4.46Å; T361-R380 PolarHBondContact OG1-NE 3.4Å; T361-R380 PolarHBondContact OG1-NH2 3.5Å; L362-R380 PolarHBondContact N-O 3.43Å; R380-T397 CarbonylContact C-O 3.49Å; R380-T397 VanDerWaalsContact CA-O 3.26Å; R380-T397 WeakPolarHBondContact CA-O 3.42Å
381V97.9Very high95.6Very high1 Ų114.8 Ų14.81%0.0068%0.075CC..EExtended strand (participates in β ladder)trans-122.8124.8177.4-1750000109.6L354 L362 L364 I373 V379 C383 T397 I398 H399L354-V381 HydrophobicContact CD2-CG2 3.64Å; L362-V381 CarbonylContact O-C 3.53Å; L362-V381 WeakPolarHBondContact O-CA 3.34Å; L364-V381 HydrophobicContact CD1-CG1 4.21Å; I373-V381 HydrophobicContact CD1-CB 4.19Å; I373-V381 HydrophobicContact CD1-CG1 4.49Å; I373-V381 HydrophobicContact CD1-CG2 3.76Å; V379-V381 HydrophobicContact CG1-CG2 3.75Å; V381-C383 HydrophobicContact CG1-CB 4.32Å; V381-T397 PolarHBondContact N-O 3.4Å; V381-I398 CarbonylContact O-C 3.52Å; V381-I398 WeakPolarHBondContact O-CA 3.5Å; V381-H399 PolarHBondContact O-N 3.07Å
382V97.2Very high95.2Very high0 Ų016.5 Ų16.50%09%0.092CC..EExtended strand (participates in β ladder)trans-114.1118172.1-167.90000108.9L362 L364 H399 F420 T422 L472L362-V382 PolarHBondContact O-N 2.86Å; L364-V382 PolarHBondContact N-O 2.93Å; V382-H399 CarbonylContact C-O 3.58Å; V382-H399 VanDerWaalsContact CA-O 3.31Å; V382-H399 WeakPolarHBondContact CA-O 3.48Å; V382-H399 HydrophobicContact CB-CB 4.26Å; V382-H399 HydrophobicContact CG1-CB 3.9Å; V382-H399 HydrophobicContact CG2-CB 4.05Å; V382-F420 HydrophobicContact CG1-CD2 3.72Å; V382-F420 HydrophobicContact CG1-CE2 3.79Å; V382-T422 HydrophobicContact CB-CG2 4.34Å; V382-T422 HydrophobicContact CG1-CG2 3.58Å; V382-T422 WeakPolarHBondContact CG1-OG1 3Å; V382-T422 HydrophobicContact CG2-CG2 4.5Å; V382-L472 HydrophobicContact CG2-CD1 4.38Å
383C96.8Very high95.1Very high0 Ų015.8 Ų15.80%09%0.089CC..EExtended strand (participates in β ladder)trans-154.9153.5-173.164.90000114.4L364 V371 V381 H399 S400 L401L364-C383 HydrophobicContact CB-CB 3.9Å; L364-C383 HydrophobicContact CD1-CB 3.99Å; L364-C383 HydrophobicContact CG-CB 4.32Å; V371-C383 HydrophobicContact CG2-CB 4.45Å; V381-C383 HydrophobicContact CG1-CB 4.32Å; C383-H399 PolarHBondContact N-O 3.23Å; C383-S400 VanDerWaalsContact O-CA 3.23Å; C383-S400 WeakPolarHBondContact O-CA 3.24Å; C383-L401 PolarHBondContact O-N 3.26Å; C383-L401 VanDerWaalsContact O-N 3.12Å
384V96.9Very high95.1Very high1 Ų120.8 Ų20.81%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-104.4126.8161.7-1770000106.8V367 L401 F420 M431 L436V367-V384 PolarHBondContact N-O 3.43Å; V384-L401 WeakPolarHBondContact CA-O 3.3Å; V384-L401 HydrophobicContact CB-CB 4.48Å; V384-L401 HydrophobicContact CG1-CB 4.19Å; V384-L401 HydrophobicContact CG1-CD2 3.98Å; V384-L401 HydrophobicContact CG2-CB 4.12Å; V384-F420 HydrophobicContact CG2-CD1 4.2Å; V384-F420 HydrophobicContact CG2-CD2 3.93Å; V384-F420 HydrophobicContact CG2-CE1 3.96Å; V384-F420 HydrophobicContact CG2-CE2 3.68Å; V384-F420 HydrophobicContact CG2-CG 4.17Å; V384-F420 HydrophobicContact CG2-CZ 3.69Å; V384-M431 HydrophobicContact CG1-CE 4.15Å; V384-M431 HydrophobicContact CG1-CG 4.45Å; V384-M431 HydrophobicContact CG1-SD 4.47Å; V384-M431 HydrophobicContact CG2-SD 4.34Å; V384-L436 HydrophobicContact CG1-CB 4.26Å; V384-L436 HydrophobicContact CG1-CD1 4.02Å
385A96.6Very high95.2Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-146.5141.9-173.900000113.1V367 V371 R387 L401 T402 P403V367-A385 HydrophobicContact CB-CB 4.18Å; V367-A385 WeakPolarHBondContact O-CA 3.5Å; V371-A385 HydrophobicContact CB-CB 4.34Å; V371-A385 HydrophobicContact CG2-CB 3.7Å; A385-R387 WeakPolarHBondContact CB-O 3.27Å; A385-R387 PolarHBondContact O-N 2.61Å; A385-L401 PolarHBondContact N-O 3.12Å; A385-T402 WeakPolarHBondContact O-CA 3.35Å; A385-T402 WeakPolarHBondContact O-CB 3.29Å; A385-T402 PolarHBondContact O-OG1 2.88Å; A385-P403 WeakPolarHBondContact O-CD 3.16Å
386G95.1Very high95.4Very high2 Ų221.8 Ų21.82%0.02111%0.114CC..EExtended strand (participates in β ladder)trans-56.8-39.2171.200000112.3V367 T369 T402 T404V367-G386 PolarHBondContact O-N 3.4Å; T369-G386 CarbonylContact O-C 3.4Å; T369-G386 WeakPolarHBondContact O-CA 3.25Å; G386-T402 PolarHBondContact O-OG1 2.73Å; G386-T404 WeakPolarHBondContact O-CG2 3.33Å; G386-T404 PolarHBondContact O-OG1 3.14Å
387R94.7Very high95.5Very high5 Ų523.5 Ų23.52%0.01912%0.124CC..EExtended strand (participates in β ladder)trans-144.8149.6172.4-179.6173.2-67.4158.7-6.3112.1E75 T76 L79 T369 S370 V371 A385 T404E75-R387 IonicContact OE2-CZ 3.98Å; E75-R387 IonicContact OE2-NE 3.84Å; E75-R387 IonicContact OE2-NH2 3.51Å; E75-R387 PolarHBondContact OE2-NH2 3.29Å; T76-R387 VanDerWaalsContact CA-NH1 3.33Å; T76-R387 VanDerWaalsContact CB-NH1 3.27Å; T76-R387 VanDerWaalsContact CG2-NH1 3.34Å; T76-R387 VanDerWaalsContact N-NH2 3.18Å; T76-R387 VanDerWaalsContact OG1-CZ 3.31Å; T76-R387 PolarHBondContact OG1-NH1 3.3Å; T76-R387 PolarHBondContact OG1-NH2 3.11Å; L79-R387 HydrophobicContact CD2-CB 4.26Å; T369-R387 PolarHBondContact O-N 2.81Å; S370-R387 CarbonylContact C-O 3.52Å; S370-R387 VanDerWaalsContact CA-O 3.26Å; S370-R387 WeakPolarHBondContact CA-O 3.29Å; S370-R387 PolarHBondContact OG-O 2.83Å; V371-R387 PolarHBondContact N-O 3.17Å; A385-R387 WeakPolarHBondContact CB-O 3.27Å; A385-R387 PolarHBondContact O-N 2.61Å; R387-T404 WeakPolarHBondContact CA-OG1 3.43Å
388L96.2Very high95.6Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-118.9129.9171-179.563.4000110V371 I373 I390 I398 P406 L407V371-L388 HydrophobicContact CB-CD1 4.02Å; V371-L388 HydrophobicContact CG1-CD1 4.01Å; I373-L388 HydrophobicContact CD1-CD1 4.21Å; L388-I390 HydrophobicContact CD1-CG1 4.33Å; L388-I390 HydrophobicContact CD2-CD1 4.16Å; L388-I390 HydrophobicContact CG-CD1 4.25Å; L388-I390 HydrophobicContact CG-CG1 4.18Å; L388-I398 HydrophobicContact CD1-CG2 4.24Å; L388-I398 HydrophobicContact CD2-CB 4.47Å; L388-I398 HydrophobicContact CD2-CG2 3.55Å; L388-P406 HydrophobicContact CB-CB 4.28Å; L388-P406 HydrophobicContact CD2-CB 4.07Å; L388-P406 HydrophobicContact CD2-CG 4.31Å; L388-P406 HydrophobicContact CG-CB 4.42Å; L388-L407 PolarHBondContact O-N 3.07Å
389T94.9Very high95.6Very high5 Ų516.7 Ų16.73%0.0319%0.09CC..EExtended strand (participates in β ladder)trans-128.6132.3174.6-56.50000110P21 V371 H372 I373 L407 L409P21-T389 HydrophobicContact CG-CG2 4.4Å; V371-T389 PolarHBondContact O-N 3.28Å; H372-T389 CarbonylContact C-O 3.58Å; H372-T389 WeakPolarHBondContact CA-O 3.34Å; H372-T389 WeakPolarHBondContact ND1-CG2 3.32Å; I373-T389 PolarHBondContact N-O 2.82Å; T389-L407 CarbonylContact C-O 3.52Å; T389-L407 WeakPolarHBondContact CA-O 3.36Å; T389-L407 HydrophobicContact CG2-CB 4.26Å; T389-L407 HydrophobicContact CG2-CD2 4.06Å; T389-L407 HydrophobicContact CG2-CG 4.39Å; T389-L409 HydrophobicContact CG2-CD1 3.63Å; T389-L409 HydrophobicContact CG2-CD2 4.36Å; T389-L409 HydrophobicContact CG2-CG 3.91Å
390I94.7Very high95.6Very high0 Ų016.6 Ų16.60%09%0.09CC..EExtended strand (participates in β ladder)trans-133.2127.4-176.2-50173000109.1I373 L388 I398 L407 L408 L409 N412 L415 L417I373-I390 HydrophobicContact CB-CG1 4.39Å; I373-I390 HydrophobicContact CB-CG2 4.29Å; I373-I390 HydrophobicContact CD1-CG1 4.28Å; I373-I390 HydrophobicContact CG2-CG2 4.47Å; I373-I390 CarbonylContact O-C 3.55Å; I373-I390 WeakPolarHBondContact O-CA 3.44Å; L388-I390 HydrophobicContact CD1-CG1 4.33Å; L388-I390 HydrophobicContact CD2-CD1 4.16Å; L388-I390 HydrophobicContact CG-CD1 4.25Å; L388-I390 HydrophobicContact CG-CG1 4.18Å; I390-I398 HydrophobicContact CD1-CD1 3.64Å; I390-I398 HydrophobicContact CD1-CG1 3.81Å; I390-L407 PolarHBondContact N-O 3.43Å; I390-L408 HydrophobicContact CB-CD2 3.99Å; I390-L408 HydrophobicContact CD1-CD2 3.8Å; I390-L408 HydrophobicContact CG1-CD2 4.2Å; I390-L409 WeakPolarHBondContact O-CB 3.3Å; I390-L409 PolarHBondContact O-N 2.92Å; I390-N412 PolarHBondContact O-ND2 2.94Å; I390-L415 HydrophobicContact CB-CD1 4.44Å; I390-L415 HydrophobicContact CD1-CD1 4.43Å; I390-L415 HydrophobicContact CG2-CD1 3.85Å; I390-L415 HydrophobicContact CG2-CD2 4.18Å; I390-L417 HydrophobicContact CD1-CD2 4.32Å
391G91.1Very high95.6Very high5 Ų513.1 Ų13.15%0.0528%0.077CC..EExtended strand (participates in β ladder)trans-144.614717800000113.9I373 Q374 S375 S393 N412I373-G391 PolarHBondContact O-N 2.63Å; Q374-G391 VanDerWaalsContact CA-O 3.31Å; Q374-G391 WeakPolarHBondContact CA-O 3.5Å; S375-G391 PolarHBondContact N-O 2.68Å; S375-G391 VanDerWaalsContact N-O 3.1Å; G391-S393 PolarHBondContact O-N 2.87Å; G391-S393 PolarHBondContact O-OG 3.08Å; G391-N412 VanDerWaalsContact CA-OD1 3.27Å; G391-N412 WeakPolarHBondContact CA-OD1 3.46Å
392G88.7Confident95.5Very high36 Ų3613.1 Ų13.137%0.3718%0.077SC..SBendtrans54.127.3175.600000115.1S375 P410 G411 N412S375-G392 VanDerWaalsContact CA-O 3.26Å; S375-G392 WeakPolarHBondContact CA-O 3.3Å; G392-P410 PolarHBondContact N-O 2.99Å; G392-G411 CarbonylContact C-O 3.58Å; G392-G411 VanDerWaalsContact CA-O 3.27Å; G392-G411 WeakPolarHBondContact CA-O 3.32Å; G392-N412 PolarHBondContact N-OD1 3.02Å
393S93.4Very high95.4Very high1 Ų114.7 Ų14.71%0.0079%0.087CC..  trans-112.6144.8-170.6-61.20000112.2S375 C376 G391 N412 A413S375-S393 PolarHBondContact N-OG 2.94Å; C376-S393 PolarHBondContact N-OG 3.17Å; C376-S393 CarbonylContact O-C 3.59Å; C376-S393 VanDerWaalsContact O-CA 3.23Å; C376-S393 WeakPolarHBondContact O-CA 3.25Å; C376-S393 WeakPolarHBondContact O-CB 3.13Å; G391-S393 PolarHBondContact O-N 2.87Å; G391-S393 PolarHBondContact O-OG 3.08Å; S393-N412 PolarHBondContact N-OD1 3.02Å; S393-N412 CarbonylContact O-C 3.54Å; S393-N412 VanDerWaalsContact O-CA 3.29Å; S393-N412 WeakPolarHBondContact O-CA 3.4Å; S393-A413 PolarHBondContact O-N 2.84Å
394F95Very high95.2Very high106 Ų10615.3 Ų15.347%0.4659%0.091SC..BIsolated β-bridgetrans-120.4135.5-173.5178.5-112.5000112.2C376 E377 N378 C396 A413C376-F394 PolarHBondContact O-N 3.37Å; E377-F394 CarbonylContact C-O 3.59Å; E377-F394 WeakPolarHBondContact CA-O 3.23Å; E377-F394 HydrophobicContact CG-CD1 4.15Å; N378-F394 PolarHBondContact N-O 3.2Å; F394-C396 PolarHBondContact O-N 2.92Å; F394-C396 PolarHBondContact O-SG 3.1Å; F394-A413 CarbonylContact C-O 3.46Å; F394-A413 WeakPolarHBondContact CA-O 3.38Å; F394-A413 HydrophobicContact CD2-CB 3.81Å; F394-A413 HydrophobicContact CE2-CB 4.35Å
395N95.5Very high95.1Very high68 Ų6819 Ų1936%0.36411%0.105SC..SBendtrans52.439173.5-165.547.3000113.4N378 A413 S414N378-N395 VanDerWaalsContact CA-O 3.27Å; N378-N395 WeakPolarHBondContact CA-O 3.5Å; N378-N395 PolarHBondContact OD1-ND2 2.92Å; N395-A413 PolarHBondContact N-O 3.23Å; N395-S414 WeakPolarHBondContact CA-O 3.48Å
396C97.4Very high95.1Very high1 Ų119 Ų191%0.00711%0.105CC..  trans-98.2141.4-178.3-66.60000110.9V379 F394 I398 L415 T416V379-C396 CarbonylContact O-C 3.35Å; V379-C396 WeakPolarHBondContact O-CA 3.39Å; V379-C396 WeakPolarHBondContact O-CB 3.49Å; F394-C396 PolarHBondContact O-N 2.92Å; F394-C396 PolarHBondContact O-SG 3.1Å; C396-I398 HydrophobicContact CB-CD1 3.99Å; C396-L415 HydrophobicContact CB-CD2 3.88Å; C396-L415 CarbonylContact O-C 3.56Å; C396-L415 WeakPolarHBondContact O-CA 3.1Å; C396-T416 PolarHBondContact O-N 3.28Å
397T97.3Very high95.1Very high37 Ų3719 Ų1923%0.22710%0.104CC..EExtended strand (participates in β ladder)trans-111.1124.4176.4-57.90000109.6V379 R380 V381 H399 T416V379-T397 PolarHBondContact O-N 3.37Å; R380-T397 CarbonylContact C-O 3.49Å; R380-T397 VanDerWaalsContact CA-O 3.26Å; R380-T397 WeakPolarHBondContact CA-O 3.42Å; V381-T397 PolarHBondContact N-O 3.4Å; T397-H399 WeakPolarHBondContact CG2-CE1 3.42Å; T397-T416 CarbonylContact C-O 3.59Å; T397-T416 WeakPolarHBondContact CA-O 3.28Å; T397-T416 HydrophobicContact CG2-CG2 4.19Å
398I98Very high95Very high0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-122115.5-177.3-55.682.6000109.5I373 V381 L388 I390 C396 T416 L417 G418I373-I398 HydrophobicContact CD1-CG1 3.79Å; V381-I398 CarbonylContact O-C 3.52Å; V381-I398 WeakPolarHBondContact O-CA 3.5Å; L388-I398 HydrophobicContact CD1-CG2 4.24Å; L388-I398 HydrophobicContact CD2-CB 4.47Å; L388-I398 HydrophobicContact CD2-CG2 3.55Å; I390-I398 HydrophobicContact CD1-CD1 3.64Å; I390-I398 HydrophobicContact CD1-CG1 3.81Å; C396-I398 HydrophobicContact CB-CD1 3.99Å; I398-T416 PolarHBondContact N-O 3.14Å; I398-L417 HydrophobicContact CB-CD2 4.12Å; I398-L417 HydrophobicContact CD1-CD2 4.35Å; I398-L417 WeakPolarHBondContact O-CA 3.2Å; I398-G418 PolarHBondContact O-N 3.23Å
399H97.3Very high94.7Very high7 Ų719.5 Ų19.53%0.03211%0.107CC..EExtended strand (participates in β ladder)trans-100.1111.2171.9-59.8105.8000108.4V381 V382 C383 T397 G418 H421 Q464V381-H399 PolarHBondContact O-N 3.07Å; V382-H399 CarbonylContact C-O 3.58Å; V382-H399 VanDerWaalsContact CA-O 3.31Å; V382-H399 WeakPolarHBondContact CA-O 3.48Å; V382-H399 HydrophobicContact CB-CB 4.26Å; V382-H399 HydrophobicContact CG1-CB 3.9Å; V382-H399 HydrophobicContact CG2-CB 4.05Å; C383-H399 PolarHBondContact N-O 3.23Å; T397-H399 WeakPolarHBondContact CG2-CE1 3.42Å; H399-G418 WeakPolarHBondContact CA-O 3.3Å; H399-H421 AromaticContact CD2-CE1 3.53Å; H399-H421 AromaticContact CD2-ND1 3.57Å; H399-H421 AromaticContact CE1-CE1 3.82Å; H399-H421 AromaticContact CG-CE1 3.3Å; H399-H421 AromaticContact CG-ND1 3.59Å; H399-H421 AromaticContact ND1-CE1 3.53Å; H399-H421 AromaticContact NE2-CE1 3.84Å; H399-Q464 PolarHBondContact CD2-OE1 2.87Å; H399-Q464 PolarHBondContact NE2-OE1 2.95Å
400S96.6Very high94.1Very high1 Ų122.6 Ų22.61%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-136149-171.462.90000114.6C383 G418 F420 W443C383-S400 VanDerWaalsContact O-CA 3.23Å; C383-S400 WeakPolarHBondContact O-CA 3.24Å; S400-G418 PolarHBondContact N-O 2.79Å; S400-G418 VanDerWaalsContact N-O 3.09Å; S400-F420 PolarHBondContact O-N 2.71Å; S400-W443 VanDerWaalsContact O-CB 3.27Å; S400-W443 WeakPolarHBondContact O-CB 3.38Å
401L96.3Very high93.7Very high0 Ų025.6 Ų25.60%016%0.158CC..EExtended strand (participates in β ladder)trans-114.8119.6160.3-169.4158.7000106.8C383 V384 A385 F420 M431 A437 V438 C487C383-L401 PolarHBondContact O-N 3.26Å; C383-L401 VanDerWaalsContact O-N 3.12Å; V384-L401 WeakPolarHBondContact CA-O 3.3Å; V384-L401 HydrophobicContact CB-CB 4.48Å; V384-L401 HydrophobicContact CG1-CB 4.19Å; V384-L401 HydrophobicContact CG1-CD2 3.98Å; V384-L401 HydrophobicContact CG2-CB 4.12Å; A385-L401 PolarHBondContact N-O 3.12Å; L401-F420 HydrophobicContact CB-CB 3.79Å; L401-F420 HydrophobicContact CB-CG 4.25Å; L401-M431 HydrophobicContact CD1-CE 4.41Å; L401-A437 WeakPolarHBondContact CD2-O 3.4Å; L401-V438 HydrophobicContact CD1-CB 4.43Å; L401-V438 HydrophobicContact CD1-CG1 4.48Å; L401-C487 HydrophobicContact CD1-CB 3.65Å
402T95.7Very high93.6Very high0 Ų025.7 Ų25.70%016%0.157CC..  trans-149.1134.7-179.1-174.80000111.9A385 G386 T404 P406 N441 L442A385-T402 WeakPolarHBondContact O-CA 3.35Å; A385-T402 WeakPolarHBondContact O-CB 3.29Å; A385-T402 PolarHBondContact O-OG1 2.88Å; G386-T402 PolarHBondContact O-OG1 2.73Å; T402-T404 WeakPolarHBondContact CG2-O 3.46Å; T402-T404 PolarHBondContact O-N 2.85Å; T402-T404 PolarHBondContact OG1-O 3.2Å; T402-P406 HydrophobicContact CG2-CG 4.05Å; T402-N441 PolarHBondContact N-OD1 2.9Å; T402-N441 CarbonylContact O-C 3.51Å; T402-N441 WeakPolarHBondContact O-CA 3.31Å; T402-L442 PolarHBondContact O-N 3.1Å
403P94.3Very high93.7Very high33 Ų3325.8 Ų25.821%0.21416%0.155CC..SBendtrans-76.3-9.6177.932.1-35.2000113.1A385 L436 P440 L442A385-P403 WeakPolarHBondContact O-CD 3.16Å; P403-L436 HydrophobicContact CG-CD2 4.45Å; P403-P440 VanDerWaalsContact CA-O 3.29Å; P403-P440 WeakPolarHBondContact CA-O 3.39Å; P403-P440 HydrophobicContact CB-CG 4.01Å; P403-L442 WeakPolarHBondContact O-CD1 3.06Å
404T94.2Very high93.8Very high13 Ų1328.8 Ų28.88%0.0818%0.176CC..SBendtrans-115157-178.965.40000110.9E75 G386 R387 T402 P406E75-T404 HydrophobicContact CG-CG2 4.24Å; E75-T404 VanDerWaalsContact OE2-CG2 3.32Å; E75-T404 WeakPolarHBondContact OE2-CG2 3.27Å; G386-T404 WeakPolarHBondContact O-CG2 3.33Å; G386-T404 PolarHBondContact O-OG1 3.14Å; R387-T404 WeakPolarHBondContact CA-OG1 3.43Å; T402-T404 WeakPolarHBondContact CG2-O 3.46Å; T402-T404 PolarHBondContact O-N 2.85Å; T402-T404 PolarHBondContact OG1-O 3.2Å; T404-P406 WeakPolarHBondContact O-CD 3.4Å
405R94.8Very high93.9Very high80 Ų8023.8 Ų23.830%0.30215%0.154SC..  trans-67.3124.7178.7-68.5-179.264.8-169.2-1.6109.9D68 L407 L442 Q445 P446 L447D68-R405 IonicContact OD1-NH1 3.44Å; D68-R405 IonicContact OD2-CZ 3.41Å; D68-R405 IonicContact OD2-NH1 3.7Å; D68-R405 PolarHBondContact OD2-NH1 3.35Å; R405-L407 PolarHBondContact O-N 2.9Å; R405-L442 HydrophobicContact CG-CB 4.45Å; R405-L442 HydrophobicContact CG-CD1 4.03Å; R405-Q445 WeakPolarHBondContact CB-O 3.33Å; R405-Q445 HydrophobicContact CG-CB 4.39Å; R405-Q445 VanDerWaalsContact CG-O 3.23Å; R405-Q445 WeakPolarHBondContact CG-O 3.32Å; R405-Q445 PolarHBondContact NE-O 3.33Å; R405-P446 PolarHBondContact NH2-O 3.18Å; R405-L447 HydrophobicContact CB-CB 4.33Å
406P96.1Very high94Very high0 Ų021 Ų210%014%0.139CC..  trans-55.6130.4175.4-27.835.2000112.2L388 T402 T404 L442 P446 L447L388-P406 HydrophobicContact CB-CB 4.28Å; L388-P406 HydrophobicContact CD2-CB 4.07Å; L388-P406 HydrophobicContact CD2-CG 4.31Å; L388-P406 HydrophobicContact CG-CB 4.42Å; T402-P406 HydrophobicContact CG2-CG 4.05Å; T404-P406 WeakPolarHBondContact O-CD 3.4Å; P406-L442 WeakPolarHBondContact CD-O 3.09Å; P406-P446 HydrophobicContact CB-CB 4.37Å; P406-P446 CarbonylContact O-C 3.58Å; P406-P446 WeakPolarHBondContact O-CA 3.47Å; P406-L447 PolarHBondContact O-N 3.15Å
407L94.1Very high94Very high1 Ų120.9 Ų20.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-91.9113.6-177.8-171.166.7000110.6L20 L72 L388 T389 I390 R405 L409 L447 F449L20-L407 HydrophobicContact CD2-CD2 4.1Å; L72-L407 HydrophobicContact CD2-CD1 3.79Å; L72-L407 HydrophobicContact CD2-CD2 4.19Å; L388-L407 PolarHBondContact O-N 3.07Å; T389-L407 CarbonylContact C-O 3.52Å; T389-L407 WeakPolarHBondContact CA-O 3.36Å; T389-L407 HydrophobicContact CG2-CB 4.26Å; T389-L407 HydrophobicContact CG2-CD2 4.06Å; T389-L407 HydrophobicContact CG2-CG 4.39Å; I390-L407 PolarHBondContact N-O 3.43Å; R405-L407 PolarHBondContact O-N 2.9Å; L407-L409 HydrophobicContact CD2-CD2 3.88Å; L407-L409 HydrophobicContact CG-CD2 3.96Å; L407-L447 HydrophobicContact CD1-CB 4.35Å; L407-L447 HydrophobicContact CD1-CD2 4.1Å; L407-L447 HydrophobicContact CD1-CG 4.42Å; L407-F449 HydrophobicContact CD1-CB 3.74Å; L407-F449 HydrophobicContact CD1-CD2 3.9Å; L407-F449 HydrophobicContact CD1-CG 4.21Å; L407-F449 HydrophobicContact CG-CB 4.28Å
408L93.4Very high93.9Very high3 Ų319.1 Ų19.12%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-101.5108.9176.9-53.8-173.2000109.7I390 L415 P446 L447 L448 F449 Y461I390-L408 HydrophobicContact CB-CD2 3.99Å; I390-L408 HydrophobicContact CD1-CD2 3.8Å; I390-L408 HydrophobicContact CG1-CD2 4.2Å; L408-L415 HydrophobicContact CD1-CD1 4.5Å; L408-L415 HydrophobicContact CD2-CD1 3.98Å; L408-P446 HydrophobicContact CD1-CB 3.7Å; L408-P446 HydrophobicContact CD1-CG 4.16Å; L408-P446 HydrophobicContact CG-CB 3.84Å; L408-L447 PolarHBondContact N-O 3.38Å; L408-L448 HydrophobicContact CB-CD2 3.79Å; L408-L448 HydrophobicContact CD1-CD2 3.67Å; L408-L448 HydrophobicContact CG-CD2 4.18Å; L408-F449 PolarHBondContact O-N 3.02Å; L408-Y461 HydrophobicContact CD1-CD1 3.55Å; L408-Y461 HydrophobicContact CD1-CE1 4.2Å; L408-Y461 HydrophobicContact CD1-CG 3.77Å
409L89Confident93.8Very high12 Ų1219.3 Ų19.36%0.06313%0.129CC..  trans-81.8167.2177.8-53.2177.3000111.2P21 A22 T389 I390 L407 N412 F449P21-L409 HydrophobicContact CB-CD1 4.2Å; P21-L409 HydrophobicContact CG-CD1 3.63Å; A22-L409 HydrophobicContact CB-CD2 4.29Å; T389-L409 HydrophobicContact CG2-CD1 3.63Å; T389-L409 HydrophobicContact CG2-CD2 4.36Å; T389-L409 HydrophobicContact CG2-CG 3.91Å; I390-L409 WeakPolarHBondContact O-CB 3.3Å; I390-L409 PolarHBondContact O-N 2.92Å; L407-L409 HydrophobicContact CD2-CD2 3.88Å; L407-L409 HydrophobicContact CG-CD2 3.96Å; L409-N412 PolarHBondContact O-ND2 3.06Å; L409-F449 HydrophobicContact CD2-CB 3.83Å; L409-F449 HydrophobicContact CD2-CD1 4.02Å; L409-F449 HydrophobicContact CD2-CG 3.99Å
410P83.9Confident93.7Very high71 Ų7119.2 Ų19.246%0.46113%0.129SC..THydrogen-bonded Turntrans-62.1155.5178.9-22.935.8000113.3G392 F449G392-P410 PolarHBondContact N-O 2.99Å; P410-F449 WeakPolarHBondContact CD-O 3.35Å; P410-F449 WeakPolarHBondContact CG-O 3.49Å
411G85.1Confident93.4Very high63 Ų6319.4 Ų19.465%0.64913%0.129SC*.THydrogen-bonded Turntrans86.38.6175.100000115.3G392G392-G411 CarbonylContact C-O 3.58Å; G392-G411 VanDerWaalsContact CA-O 3.27Å; G392-G411 WeakPolarHBondContact CA-O 3.32Å
412N89.5Confident93Very high6 Ų619.5 Ų19.53%0.03213%0.13CC..  trans-79.9149.3172-68.6-38.6000111.5I390 G391 G392 S393 L409 L415 C460I390-N412 PolarHBondContact O-ND2 2.94Å; G391-N412 VanDerWaalsContact CA-OD1 3.27Å; G391-N412 WeakPolarHBondContact CA-OD1 3.46Å; G392-N412 PolarHBondContact N-OD1 3.02Å; S393-N412 PolarHBondContact N-OD1 3.02Å; S393-N412 CarbonylContact O-C 3.54Å; S393-N412 VanDerWaalsContact O-CA 3.29Å; S393-N412 WeakPolarHBondContact O-CA 3.4Å; L409-N412 PolarHBondContact O-ND2 3.06Å; N412-L415 HydrophobicContact CB-CD1 3.65Å; N412-L415 HydrophobicContact CB-CG 4.04Å; N412-C460 HydrophobicContact CB-CB 4.17Å; N412-C460 WeakPolarHBondContact O-CB 3.39Å
413A91.6Very high92.5Very high39 Ų3921.2 Ų21.232%0.32214%0.138SC..BIsolated β-bridgetrans-149.8141.3172.500000111.6S393 F394 N395 L415S393-A413 PolarHBondContact O-N 2.84Å; F394-A413 CarbonylContact C-O 3.46Å; F394-A413 WeakPolarHBondContact CA-O 3.38Å; F394-A413 HydrophobicContact CD2-CB 3.81Å; F394-A413 HydrophobicContact CE2-CB 4.35Å; N395-A413 PolarHBondContact N-O 3.23Å; A413-L415 VanDerWaalsContact C-N 3.3Å; A413-L415 PolarHBondContact O-N 2.93Å
414S94.3Very high92.2Very high64 Ų6420 Ų2045%0.44813%0.129SC..SBendtrans54.838.6178.3-54.30000114.4N395 C460N395-S414 WeakPolarHBondContact CA-O 3.48Å; S414-C460 PolarHBondContact N-O 3.42Å
415L96.8Very high91.9Very high0 Ų020.9 Ų20.90%014%0.135CC..EExtended strand (participates in β ladder)trans-71.9142.6174-59.6-178.5000110.8I390 C396 L408 N412 A413 C460 Y461 R462I390-L415 HydrophobicContact CB-CD1 4.44Å; I390-L415 HydrophobicContact CD1-CD1 4.43Å; I390-L415 HydrophobicContact CG2-CD1 3.85Å; I390-L415 HydrophobicContact CG2-CD2 4.18Å; C396-L415 HydrophobicContact CB-CD2 3.88Å; C396-L415 CarbonylContact O-C 3.56Å; C396-L415 WeakPolarHBondContact O-CA 3.1Å; L408-L415 HydrophobicContact CD1-CD1 4.5Å; L408-L415 HydrophobicContact CD2-CD1 3.98Å; N412-L415 HydrophobicContact CB-CD1 3.65Å; N412-L415 HydrophobicContact CB-CG 4.04Å; A413-L415 VanDerWaalsContact C-N 3.3Å; A413-L415 PolarHBondContact O-N 2.93Å; L415-C460 WeakPolarHBondContact CB-O 3.46Å; L415-C460 WeakPolarHBondContact CG-O 3.3Å; L415-C460 PolarHBondContact N-O 3.11Å; L415-Y461 CarbonylContact O-C 3.55Å; L415-Y461 VanDerWaalsContact O-CA 3.25Å; L415-Y461 WeakPolarHBondContact O-CA 3.43Å; L415-R462 PolarHBondContact O-N 3.27Å
416T97.4Very high91.7Very high9 Ų918.7 Ų18.76%0.05513%0.131CC..EExtended strand (participates in β ladder)trans-120.2122172.1-60.50000109.2C396 T397 I398 R462 Q464C396-T416 PolarHBondContact O-N 3.28Å; T397-T416 CarbonylContact C-O 3.59Å; T397-T416 WeakPolarHBondContact CA-O 3.28Å; T397-T416 HydrophobicContact CG2-CG2 4.19Å; I398-T416 PolarHBondContact N-O 3.14Å; T416-R462 WeakPolarHBondContact CA-O 3.29Å; T416-R462 PolarHBondContact OG1-NE 3.08Å; T416-Q464 HydrophobicContact CG2-CB 3.66Å; T416-Q464 HydrophobicContact CG2-CG 4.07Å
417L97.7Very high91.4Very high0 Ų018.7 Ų18.70%013%0.131CC..EExtended strand (participates in β ladder)trans-104.7132.7177.3-56.9-179.2000109.9I390 I398 W443 P446 Y461 R462 I463 Q464I390-L417 HydrophobicContact CD1-CD2 4.32Å; I398-L417 HydrophobicContact CB-CD2 4.12Å; I398-L417 HydrophobicContact CD1-CD2 4.35Å; I398-L417 WeakPolarHBondContact O-CA 3.2Å; L417-W443 HydrophobicContact CB-CE3 4.41Å; L417-W443 HydrophobicContact CB-CZ3 4.49Å; L417-W443 WeakPolarHBondContact O-CZ3 3.5Å; L417-P446 HydrophobicContact CD1-CB 4.19Å; L417-P446 HydrophobicContact CD1-CG 3.99Å; L417-Y461 HydrophobicContact CD1-CD2 3.92Å; L417-Y461 HydrophobicContact CD1-CE2 4.43Å; L417-Y461 HydrophobicContact CG-CD2 4.42Å; L417-R462 PolarHBondContact N-O 2.93Å; L417-I463 HydrophobicContact CB-CD1 4.11Å; L417-Q464 WeakPolarHBondContact O-CB 3.41Å; L417-Q464 PolarHBondContact O-N 3.27Å
418G96Very high91.3Very high0 Ų023.2 Ų23.20%015%0.152CC..EExtended strand (participates in β ladder)trans-139.8166.3179.100000112.8I398 H399 S400 W443I398-G418 PolarHBondContact O-N 3.23Å; H399-G418 WeakPolarHBondContact CA-O 3.3Å; S400-G418 PolarHBondContact N-O 2.79Å; S400-G418 VanDerWaalsContact N-O 3.09Å; G418-W443 VanDerWaalsContact C-CZ3 3.48Å; G418-W443 VanDerWaalsContact CA-CZ3 3.43Å
419P95.4Very high91.2Very high4 Ų428.5 Ų28.53%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-69.8148.3176.229.7-33.3000110.9H421 W443 F469 L489 P490 F493P419-H421 PolarHBondContact O-ND1 3.27Å; P419-H421 VanDerWaalsContact O-ND1 3.15Å; P419-W443 HydrophobicContact CB-CZ2 3.96Å; P419-W443 HydrophobicContact CG-CZ2 4.27Å; P419-F469 HydrophobicContact CG-CE2 3.95Å; P419-F469 HydrophobicContact CG-CZ 4.36Å; P419-L489 HydrophobicContact CB-CD2 4.22Å; P419-L489 HydrophobicContact CG-CD2 4.19Å; P419-P490 HydrophobicContact CB-CG 4.22Å; P419-P490 HydrophobicContact CG-CG 4.42Å; P419-F493 HydrophobicContact CG-CD1 3.89Å; P419-F493 HydrophobicContact CG-CD2 4.18Å; P419-F493 HydrophobicContact CG-CE1 3.95Å; P419-F493 HydrophobicContact CG-CE2 4.23Å; P419-F493 HydrophobicContact CG-CG 4Å; P419-F493 HydrophobicContact CG-CZ 4.11Å
420F94.6Very high91.5Very high5 Ų529.4 Ų29.42%0.02218%0.184CC..  trans-62.3141.2166.2-177.3-96.8000110.6V382 V384 S400 L401 T422 L427 L489V382-F420 HydrophobicContact CG1-CD2 3.72Å; V382-F420 HydrophobicContact CG1-CE2 3.79Å; V384-F420 HydrophobicContact CG2-CD1 4.2Å; V384-F420 HydrophobicContact CG2-CD2 3.93Å; V384-F420 HydrophobicContact CG2-CE1 3.96Å; V384-F420 HydrophobicContact CG2-CE2 3.68Å; V384-F420 HydrophobicContact CG2-CG 4.17Å; V384-F420 HydrophobicContact CG2-CZ 3.69Å; S400-F420 PolarHBondContact O-N 2.71Å; L401-F420 HydrophobicContact CB-CB 3.79Å; L401-F420 HydrophobicContact CB-CG 4.25Å; F420-T422 WeakPolarHBondContact CE1-O 3.09Å; F420-T422 WeakPolarHBondContact CE2-OG1 3.38Å; F420-T422 WeakPolarHBondContact CZ-O 3.46Å; F420-T422 WeakPolarHBondContact CZ-OG1 3.43Å; F420-L427 HydrophobicContact CE1-CD2 3.77Å; F420-L427 HydrophobicContact CZ-CD2 3.78Å; F420-L489 WeakPolarHBondContact O-CD2 3.42Å
421H91.2Very high92Very high4 Ų426.4 Ų26.42%0.01916%0.164CC..  trans-154.110.4-165.863.6-99.9000114.3H399 P419 F469 P471 L472 I485 L489H399-H421 AromaticContact CD2-CE1 3.53Å; H399-H421 AromaticContact CD2-ND1 3.57Å; H399-H421 AromaticContact CE1-CE1 3.82Å; H399-H421 AromaticContact CG-CE1 3.3Å; H399-H421 AromaticContact CG-ND1 3.59Å; H399-H421 AromaticContact ND1-CE1 3.53Å; H399-H421 AromaticContact NE2-CE1 3.84Å; P419-H421 PolarHBondContact O-ND1 3.27Å; P419-H421 VanDerWaalsContact O-ND1 3.15Å; H421-F469 HydrophobicContact CB-CE2 3.85Å; H421-F469 HydrophobicContact CB-CZ 3.42Å; H421-F469 VanDerWaalsContact CB-CZ 3.42Å; H421-F469 AromaticContact CG-CE2 3.81Å; H421-F469 AromaticContact CG-CZ 3.81Å; H421-F469 AromaticContact ND1-CE2 3.63Å; H421-P471 VanDerWaalsContact CD2-CA 3.43Å; H421-P471 WeakPolarHBondContact CD2-CA 3.48Å; H421-L472 PolarHBondContact CD2-N 2.96Å; H421-L472 WeakPolarHBondContact NE2-CB 3.31Å; H421-L472 PolarHBondContact NE2-N 3.4Å; H421-I485 WeakPolarHBondContact O-CD1 3.24Å; H421-L489 HydrophobicContact CB-CD2 4.06Å
422T87.7Confident92.4Very high2 Ų225.6 Ų25.61%0.01215%0.151CC..  trans-109.5154.6-176.156.90000110.1V382 F420 L472V382-T422 HydrophobicContact CB-CG2 4.34Å; V382-T422 HydrophobicContact CG1-CG2 3.58Å; V382-T422 WeakPolarHBondContact CG1-OG1 3Å; V382-T422 HydrophobicContact CG2-CG2 4.5Å; F420-T422 WeakPolarHBondContact CE1-O 3.09Å; F420-T422 WeakPolarHBondContact CE2-OG1 3.38Å; F420-T422 WeakPolarHBondContact CZ-O 3.46Å; F420-T422 WeakPolarHBondContact CZ-OG1 3.43Å; T422-L472 HydrophobicContact CG2-CB 3.77Å; T422-L472 HydrophobicContact CG2-CD2 3.78Å; T422-L472 HydrophobicContact CG2-CG 4.33Å
423Q84.7Confident92.6Very high37 Ų3727.7 Ų27.717%0.17317%0.167CC..  trans-143.8144.9-179.3167.653.9-6.400110.9I474 C483 I485Q423-I474 WeakPolarHBondContact O-CD1 3.39Å; Q423-C483 WeakPolarHBondContact CG-O 3.28Å; Q423-C483 PolarHBondContact NE2-O 3.33Å; Q423-I485 HydrophobicContact CB-CG1 4.46Å
424Y88.9Confident92.7Very high6 Ų625.9 Ų25.92%0.02415%0.152CC..  trans-141.3154.8166.760.2-90.3000109.5L346 G365 P366 T426 L427 H430 I474 M478L346-Y424 HydrophobicContact CB-CE1 4.42Å; L346-Y424 HydrophobicContact CB-CE2 4.45Å; L346-Y424 HydrophobicContact CD2-CD1 3.99Å; L346-Y424 HydrophobicContact CD2-CE1 4.07Å; G365-Y424 WeakPolarHBondContact CA-OH 3.48Å; P366-Y424 WeakPolarHBondContact CD-OH 3.5Å; Y424-T426 VanDerWaalsContact C-N 3.27Å; Y424-T426 WeakPolarHBondContact CD2-OG1 3.44Å; Y424-T426 WeakPolarHBondContact CE2-OG1 3.45Å; Y424-T426 PolarHBondContact O-N 2.97Å; Y424-L427 HydrophobicContact CD1-CB 4.05Å; Y424-L427 HydrophobicContact CD1-CD1 4.43Å; Y424-L427 HydrophobicContact CD2-CB 4.14Å; Y424-L427 HydrophobicContact CE1-CB 3.87Å; Y424-L427 HydrophobicContact CE1-CD1 3.57Å; Y424-L427 HydrophobicContact CE1-CD2 4.46Å; Y424-L427 HydrophobicContact CE1-CG 4.16Å; Y424-L427 HydrophobicContact CE2-CB 3.93Å; Y424-L427 HydrophobicContact CG-CB 4.19Å; Y424-L427 VanDerWaalsContact O-CB 3.24Å; Y424-L427 WeakPolarHBondContact O-CB 3.36Å; Y424-L427 PolarHBondContact O-N 2.91Å; Y424-H430 AromaticContact CE2-CE1 3.77Å; Y424-H430 AromaticContact CE2-ND1 3.32Å; Y424-H430 VanDerWaalsContact CE2-ND1 3.32Å; Y424-H430 WeakPolarHBondContact CE2-ND1 3.2Å; Y424-H430 AromaticContact CZ-ND1 3.55Å; Y424-H430 PolarHBondContact OH-ND1 3.48Å; Y424-I474 HydrophobicContact CD1-CD1 3.81Å; Y424-I474 HydrophobicContact CG-CD1 4.26Å; Y424-M478 HydrophobicContact CD2-CE 4.09Å; Y424-M478 HydrophobicContact CD2-SD 4.4Å; Y424-M478 HydrophobicContact CG-SD 4.42Å
425P88.2Confident92.8Very high32 Ų3223.1 Ų23.121%0.20813%0.133CC..THydrogen-bonded Turntrans-53.3-36-165.2-30.536.7000116.2M478 G480 D481P425-M478 HydrophobicContact CG-CB 3.98Å; P425-G480 VanDerWaalsContact CB-CA 3.47Å; P425-D481 WeakPolarHBondContact CA-O 3.02Å; P425-D481 WeakPolarHBondContact CB-O 3.41Å
426T89.6Confident92.7Very high35 Ų3523.7 Ų23.722%0.21514%0.136CC..THydrogen-bonded Turntrans-95.911.6-178.452.30000114.5Y424 E428 D429 H430Y424-T426 VanDerWaalsContact C-N 3.27Å; Y424-T426 WeakPolarHBondContact CD2-OG1 3.44Å; Y424-T426 WeakPolarHBondContact CE2-OG1 3.45Å; Y424-T426 PolarHBondContact O-N 2.97Å; T426-E428 PolarHBondContact O-N 3.18Å; T426-D429 PolarHBondContact O-N 3.32Å; T426-H430 WeakPolarHBondContact O-CB 3.35Å; T426-H430 PolarHBondContact O-CD2 3.4Å; T426-H430 PolarHBondContact O-N 2.99Å; T426-H430 PolarHBondContact OG1-CE1 2.9Å; T426-H430 VanDerWaalsContact OG1-CE1 3.27Å
427L91.1Very high92.6Very high0 Ų024.6 Ų24.60%014%0.144CC..Hα-helixtrans-63-42.9-174176.658.1000112.7P366 F420 Y424 H430 M431 P486P366-L427 HydrophobicContact CG-CD1 3.65Å; F420-L427 HydrophobicContact CE1-CD2 3.77Å; F420-L427 HydrophobicContact CZ-CD2 3.78Å; Y424-L427 HydrophobicContact CD1-CB 4.05Å; Y424-L427 HydrophobicContact CD1-CD1 4.43Å; Y424-L427 HydrophobicContact CD2-CB 4.14Å; Y424-L427 HydrophobicContact CE1-CB 3.87Å; Y424-L427 HydrophobicContact CE1-CD1 3.57Å; Y424-L427 HydrophobicContact CE1-CD2 4.46Å; Y424-L427 HydrophobicContact CE1-CG 4.16Å; Y424-L427 HydrophobicContact CE2-CB 3.93Å; Y424-L427 HydrophobicContact CG-CB 4.19Å; Y424-L427 VanDerWaalsContact O-CB 3.24Å; Y424-L427 WeakPolarHBondContact O-CB 3.36Å; Y424-L427 PolarHBondContact O-N 2.91Å; L427-H430 CarbonylContact O-C 3.56Å; L427-H430 PolarHBondContact O-N 3.29Å; L427-M431 HydrophobicContact CD1-CG 3.99Å; L427-M431 HydrophobicContact CD1-SD 4.18Å; L427-M431 HydrophobicContact CG-CG 4.34Å; L427-M431 HydrophobicContact CG-SD 4.09Å; L427-M431 WeakPolarHBondContact O-CB 3.37Å; L427-M431 VanDerWaalsContact O-CG 3.32Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.41Å; L427-P486 HydrophobicContact CD2-CG 3.71Å; L427-P486 HydrophobicContact CG-CG 4.31Å
428E91.4Very high92.3Very high95 Ų9526.9 Ų26.944%0.44416%0.158SC..Hα-helixtrans-63.4-44.7-178.6-67.5-174.2-176.600111.6T426 H430 M431 A432 P486T426-E428 PolarHBondContact O-N 3.18Å; E428-H430 VanDerWaalsContact C-N 3.33Å; E428-H430 PolarHBondContact O-N 2.9Å; E428-M431 WeakPolarHBondContact O-CB 3.41Å; E428-M431 PolarHBondContact O-N 2.83Å; E428-M431 VanDerWaalsContact O-N 3.13Å; E428-A432 WeakPolarHBondContact O-CB 3.45Å; E428-A432 PolarHBondContact O-N 3.42Å; E428-P486 HydrophobicContact CG-CB 4.18Å
429D91.8Very high92.1Very high114 Ų11430.3 Ų30.361%0.6118%0.179SC*.Hα-helixtrans-62.5-40.2174.5-67.7-30.4000111.9T426 M431 A432 S433T426-D429 PolarHBondContact O-N 3.32Å; D429-M431 VanDerWaalsContact C-N 3.32Å; D429-M431 PolarHBondContact O-N 3.46Å; D429-A432 PolarHBondContact O-N 3.1Å; D429-S433 WeakPolarHBondContact O-CB 3.5Å; D429-S433 PolarHBondContact O-N 2.87Å; D429-S433 PolarHBondContact O-OG 2.84Å
430H93.8Very high92Very high32 Ų3231.2 Ų31.215%0.14819%0.185CC..Hα-helixtrans-66-35.4174.8-68.1176000111.9P348 P366 Y424 T426 L427 E428 S433 A434P348-H430 HydrophobicContact CB-CB 4.41Å; P366-H430 HydrophobicContact CG-CB 3.78Å; Y424-H430 AromaticContact CE2-CE1 3.77Å; Y424-H430 AromaticContact CE2-ND1 3.32Å; Y424-H430 VanDerWaalsContact CE2-ND1 3.32Å; Y424-H430 WeakPolarHBondContact CE2-ND1 3.2Å; Y424-H430 AromaticContact CZ-ND1 3.55Å; Y424-H430 PolarHBondContact OH-ND1 3.48Å; T426-H430 WeakPolarHBondContact O-CB 3.35Å; T426-H430 PolarHBondContact O-CD2 3.4Å; T426-H430 PolarHBondContact O-N 2.99Å; T426-H430 PolarHBondContact OG1-CE1 2.9Å; T426-H430 VanDerWaalsContact OG1-CE1 3.27Å; L427-H430 CarbonylContact O-C 3.56Å; L427-H430 PolarHBondContact O-N 3.29Å; E428-H430 VanDerWaalsContact C-N 3.33Å; E428-H430 PolarHBondContact O-N 2.9Å; H430-S433 WeakPolarHBondContact CA-OG 3.41Å; H430-S433 PolarHBondContact O-OG 2.91Å; H430-S433 VanDerWaalsContact O-OG 3.05Å; H430-A434 VanDerWaalsContact O-CB 3.24Å; H430-A434 WeakPolarHBondContact O-CB 3.13Å; H430-A434 PolarHBondContact O-N 3.45Å
431M94.8Very high91.9Very high7 Ų732.8 Ų32.83%0.03419%0.193CC..Hα-helixtrans-69.3-45.6176.3-78.1-176.86300110.9P366 V384 L401 L427 E428 D429 A434 G435 L436 V438 P486P366-M431 HydrophobicContact CB-CG 4.17Å; P366-M431 HydrophobicContact CG-CB 4.26Å; P366-M431 HydrophobicContact CG-CG 3.45Å; P366-M431 VanDerWaalsContact CG-CG 3.45Å; V384-M431 HydrophobicContact CG1-CE 4.15Å; V384-M431 HydrophobicContact CG1-CG 4.45Å; V384-M431 HydrophobicContact CG1-SD 4.47Å; V384-M431 HydrophobicContact CG2-SD 4.34Å; L401-M431 HydrophobicContact CD1-CE 4.41Å; L427-M431 HydrophobicContact CD1-CG 3.99Å; L427-M431 HydrophobicContact CD1-SD 4.18Å; L427-M431 HydrophobicContact CG-CG 4.34Å; L427-M431 HydrophobicContact CG-SD 4.09Å; L427-M431 WeakPolarHBondContact O-CB 3.37Å; L427-M431 VanDerWaalsContact O-CG 3.32Å; L427-M431 WeakPolarHBondContact O-CG 3.46Å; L427-M431 PolarHBondContact O-N 3.41Å; E428-M431 WeakPolarHBondContact O-CB 3.41Å; E428-M431 PolarHBondContact O-N 2.83Å; E428-M431 VanDerWaalsContact O-N 3.13Å; D429-M431 VanDerWaalsContact C-N 3.32Å; D429-M431 PolarHBondContact O-N 3.46Å; M431-A434 PolarHBondContact O-N 2.94Å; M431-G435 PolarHBondContact O-N 3.46Å; M431-L436 WeakPolarHBondContact CE-O 3.3Å; M431-L436 PolarHBondContact O-N 2.9Å; M431-V438 HydrophobicContact CE-CG1 3.85Å; M431-P486 HydrophobicContact SD-CB 4.46Å; M431-P486 HydrophobicContact SD-CG 4.13Å
432A94.4Very high92.1Very high47 Ų4734.7 Ų34.739%0.38820%0.204SC..Hα-helixtrans-59.3-49.1176.100000111.1A85 E428 D429 A434 G435A85-A432 WeakPolarHBondContact CB-O 3.46Å; E428-A432 WeakPolarHBondContact O-CB 3.45Å; E428-A432 PolarHBondContact O-N 3.42Å; D429-A432 PolarHBondContact O-N 3.1Å; A432-A434 VanDerWaalsContact C-N 3.32Å; A432-A434 PolarHBondContact O-N 3.23Å; A432-G435 PolarHBondContact O-N 3.39Å
433S94Very high92.4Very high50 Ų5035.3 Ų35.335%0.3521%0.206SC..Hα-helixtrans-66.2-29.7177.460.70000113.7R368 D429 H430 G435R368-S433 PolarHBondContact NH2-O 3.42Å; D429-S433 WeakPolarHBondContact O-CB 3.5Å; D429-S433 PolarHBondContact O-N 2.87Å; D429-S433 PolarHBondContact O-OG 2.84Å; H430-S433 WeakPolarHBondContact CA-OG 3.41Å; H430-S433 PolarHBondContact O-OG 2.91Å; H430-S433 VanDerWaalsContact O-OG 3.05Å; S433-G435 VanDerWaalsContact C-N 3.29Å
434A94Very high92.9Very high1 Ų137 Ų371%0.00822%0.216CC..Hα-helixtrans-75-18.1172.300000113P366 R368 H430 M431 A432 L436P366-A434 HydrophobicContact CB-CB 3.84Å; R368-A434 HydrophobicContact CB-CB 4.46Å; R368-A434 WeakPolarHBondContact CG-O 3.24Å; R368-A434 PolarHBondContact NE-O 3.02Å; H430-A434 VanDerWaalsContact O-CB 3.24Å; H430-A434 WeakPolarHBondContact O-CB 3.13Å; H430-A434 PolarHBondContact O-N 3.45Å; M431-A434 PolarHBondContact O-N 2.94Å; A432-A434 VanDerWaalsContact C-N 3.32Å; A432-A434 PolarHBondContact O-N 3.23Å; A434-L436 HydrophobicContact CB-CD1 3.95Å; A434-L436 HydrophobicContact CB-CG 4.12Å
435G95.4Very high93.2Very high6 Ų641.4 Ų41.46%0.06224%0.237CC..THydrogen-bonded Turntrans74.536.3-173.500000112.6R88 M431 A432 S433R88-G435 VanDerWaalsContact CB-O 3.3Å; R88-G435 WeakPolarHBondContact CB-O 3.3Å; M431-G435 PolarHBondContact O-N 3.46Å; A432-G435 PolarHBondContact O-N 3.39Å; S433-G435 VanDerWaalsContact C-N 3.29Å
436L95.3Very high93.5Very high12 Ų1240.3 Ų40.36%0.06323%0.23CC..  trans-115.9114.1-178.2-66171.3000109.6P366 V367 V384 P403 M431 A434P366-L436 HydrophobicContact CB-CD1 4.12Å; V367-L436 WeakPolarHBondContact O-CD1 3.36Å; V384-L436 HydrophobicContact CG1-CB 4.26Å; V384-L436 HydrophobicContact CG1-CD1 4.02Å; P403-L436 HydrophobicContact CG-CD2 4.45Å; M431-L436 WeakPolarHBondContact CE-O 3.3Å; M431-L436 PolarHBondContact O-N 2.9Å; A434-L436 HydrophobicContact CB-CD1 3.95Å; A434-L436 HydrophobicContact CB-CG 4.12Å
437A93.8Very high93.6Very high27 Ų2739.8 Ų39.822%0.22323%0.225CC..  trans-88.2164.4174.500000111.2L89 A92 L401 V439L89-A437 HydrophobicContact CD2-CB 3.93Å; A92-A437 HydrophobicContact CB-CB 3.68Å; L401-A437 WeakPolarHBondContact CD2-O 3.4Å; A437-V439 VanDerWaalsContact C-N 3.26Å; A437-V439 WeakPolarHBondContact CB-O 3.38Å; A437-V439 PolarHBondContact O-N 3.35Å
438V92.7Very high93.5Very high49 Ų4942 Ų4230%0.29724%0.237SC..SBendtrans-72.8-21175.9-62.70000113L401 M431 P486 C487L401-V438 HydrophobicContact CD1-CB 4.43Å; L401-V438 HydrophobicContact CD1-CG1 4.48Å; M431-V438 HydrophobicContact CE-CG1 3.85Å; V438-P486 HydrophobicContact CG1-CB 4.19Å; V438-P486 WeakPolarHBondContact CG1-O 3.37Å; V438-C487 HydrophobicContact CB-CB 4.3Å; V438-C487 HydrophobicContact CG1-CB 4.36Å
439V91.9Very high93Very high71 Ų7138.4 Ų38.443%0.4322%0.22SC..  trans-134.8145176-69.80000109.9S96 A437S96-V439 VanDerWaalsContact CB-CG2 3.49Å; A437-V439 VanDerWaalsContact C-N 3.26Å; A437-V439 WeakPolarHBondContact CB-O 3.38Å; A437-V439 PolarHBondContact O-N 3.35Å
440P92.2Very high91.8Very high23 Ų2334.7 Ų34.715%0.14921%0.208CC..SBendcis-69155-3.231.1-36.4000112.2A92 L95 P403A92-P440 WeakPolarHBondContact O-CD 3.24Å; L95-P440 HydrophobicContact CB-CG 4.02Å; L95-P440 HydrophobicContact CD1-CG 4.24Å; P403-P440 VanDerWaalsContact CA-O 3.29Å; P403-P440 WeakPolarHBondContact CA-O 3.39Å; P403-P440 HydrophobicContact CB-CG 4.01Å
441N93.7Very high90Very high38 Ų3837.4 Ų37.420%0.20323%0.227CC..  trans-132.4107.9178.6-170.68.7000110.3T402 W443T402-N441 PolarHBondContact N-OD1 2.9Å; T402-N441 CarbonylContact O-C 3.51Å; T402-N441 WeakPolarHBondContact O-CA 3.31Å; N441-W443 VanDerWaalsContact CG-CD1 3.49Å; N441-W443 VanDerWaalsContact OD1-CD1 3.28Å
442L94.7Very high88.1Confident45 Ų4542.7 Ų42.724%0.23625%0.252CS..  trans-111.420.4-170.9-60.8-178.6000113.2T402 P403 R405 P406 N444 Q445T402-L442 PolarHBondContact O-N 3.1Å; P403-L442 WeakPolarHBondContact O-CD1 3.06Å; R405-L442 HydrophobicContact CG-CB 4.45Å; R405-L442 HydrophobicContact CG-CD1 4.03Å; P406-L442 WeakPolarHBondContact CD-O 3.09Å; L442-N444 PolarHBondContact O-N 2.88Å; L442-Q445 PolarHBondContact O-N 3.34Å
443W95.2Very high86Confident15 Ų1544.7 Ų44.76%0.05728%0.277CS..THydrogen-bonded Turntrans-52.7-30.5-177.870.3-87.7000114.4S400 L417 G418 P419 N441 I463 P490 F493S400-W443 VanDerWaalsContact O-CB 3.27Å; S400-W443 WeakPolarHBondContact O-CB 3.38Å; L417-W443 HydrophobicContact CB-CE3 4.41Å; L417-W443 HydrophobicContact CB-CZ3 4.49Å; L417-W443 WeakPolarHBondContact O-CZ3 3.5Å; G418-W443 VanDerWaalsContact C-CZ3 3.48Å; G418-W443 VanDerWaalsContact CA-CZ3 3.43Å; P419-W443 HydrophobicContact CB-CZ2 3.96Å; P419-W443 HydrophobicContact CG-CZ2 4.27Å; N441-W443 VanDerWaalsContact CG-CD1 3.49Å; N441-W443 VanDerWaalsContact OD1-CD1 3.28Å; W443-I463 HydrophobicContact CH2-CG2 3.89Å; W443-I463 HydrophobicContact CZ3-CD1 4.28Å; W443-I463 HydrophobicContact CZ3-CG2 3.97Å; W443-P490 HydrophobicContact CZ2-CG 4.08Å; W443-F493 HydrophobicContact CH2-CE2 4.19Å; W443-F493 HydrophobicContact CH2-CZ 4.21Å; W443-F493 HydrophobicContact CZ2-CE2 4.44Å
444N94.6Very high84.3Confident72 Ų7246.1 Ų46.139%0.38529%0.287SS..THydrogen-bonded Turntrans-92.21.5-178.864.7-23.4000114.1L442 P446 I463L442-N444 PolarHBondContact O-N 2.88Å; N444-P446 WeakPolarHBondContact O-CD 3.27Å; N444-I463 HydrophobicContact CB-CD1 4.13Å
445Q94.1Very high82.7Confident99 Ų9950 Ų5046%0.46332%0.319SS..  trans-116.262.5-178.5-62.2-175.417.500112R405 L442R405-Q445 WeakPolarHBondContact CB-O 3.33Å; R405-Q445 HydrophobicContact CG-CB 4.39Å; R405-Q445 VanDerWaalsContact CG-O 3.23Å; R405-Q445 WeakPolarHBondContact CG-O 3.32Å; R405-Q445 PolarHBondContact NE-O 3.33Å; L442-Q445 PolarHBondContact O-N 3.34Å
446P94.6Very high81.3Confident9 Ų953.1 Ų53.16%0.05834%0.338CS..  trans-62.7153-177.927.6-34.3000112.2R405 P406 L408 L417 N444 Y461R405-P446 PolarHBondContact NH2-O 3.18Å; P406-P446 HydrophobicContact CB-CB 4.37Å; P406-P446 CarbonylContact O-C 3.58Å; P406-P446 WeakPolarHBondContact O-CA 3.47Å; L408-P446 HydrophobicContact CD1-CB 3.7Å; L408-P446 HydrophobicContact CD1-CG 4.16Å; L408-P446 HydrophobicContact CG-CB 3.84Å; L417-P446 HydrophobicContact CD1-CB 4.19Å; L417-P446 HydrophobicContact CD1-CG 3.99Å; N444-P446 WeakPolarHBondContact O-CD 3.27Å; P446-Y461 HydrophobicContact CG-CD1 4.43Å; P446-Y461 HydrophobicContact CG-CD2 4.06Å; P446-Y461 HydrophobicContact CG-CE1 3.86Å; P446-Y461 HydrophobicContact CG-CE2 3.45Å; P446-Y461 VanDerWaalsContact CG-CE2 3.45Å; P446-Y461 WeakPolarHBondContact CG-OH 3.45Å
447L92.2Very high80.1Confident24 Ų2457.3 Ų57.313%0.12636%0.361CS..EExtended strand (participates in β ladder)trans-105.5116.4169-174.470.2000108.4D68 L72 R405 P406 L407 L408 F449D68-L447 HydrophobicContact CB-CD1 3.87Å; L72-L447 HydrophobicContact CD2-CD2 4.17Å; R405-L447 HydrophobicContact CB-CB 4.33Å; P406-L447 PolarHBondContact O-N 3.15Å; L407-L447 HydrophobicContact CD1-CB 4.35Å; L407-L447 HydrophobicContact CD1-CD2 4.1Å; L407-L447 HydrophobicContact CD1-CG 4.42Å; L408-L447 PolarHBondContact N-O 3.38Å; L447-F449 PolarHBondContact O-N 3.35Å
448L89.3Confident79.4Confident45 Ų4561 Ų6124%0.23638%0.381CS..EExtended strand (participates in β ladder)trans-78.7113.6176.2-58.7-179.4000109.1L408 P456 T458 Y461L408-L448 HydrophobicContact CB-CD2 3.79Å; L408-L448 HydrophobicContact CD1-CD2 3.67Å; L408-L448 HydrophobicContact CG-CD2 4.18Å; L448-P456 HydrophobicContact CB-CB 3.71Å; L448-P456 HydrophobicContact CD1-CB 3.71Å; L448-P456 HydrophobicContact CD1-CG 4.48Å; L448-P456 HydrophobicContact CG-CB 4.34Å; L448-T458 HydrophobicContact CD1-CG2 4.05Å; L448-Y461 HydrophobicContact CD1-CE1 4.43Å; L448-Y461 HydrophobicContact CD2-CD1 4.12Å; L448-Y461 HydrophobicContact CD2-CE1 3.96Å
449F80.4Confident78.9Confident20 Ų2061.5 Ų61.59%0.08840%0.395CS..  trans-95.3109.6178.4-163.7-83.4000109.6L20 A22 L69 L72 L407 L408 L409 P410 L447L20-F449 HydrophobicContact CD1-CE2 3.98Å; L20-F449 HydrophobicContact CD1-CZ 4.41Å; A22-F449 HydrophobicContact CB-CD1 3.58Å; A22-F449 HydrophobicContact CB-CE1 3.2Å; A22-F449 HydrophobicContact CB-CZ 4.1Å; L69-F449 HydrophobicContact CD1-CD2 4.21Å; L69-F449 HydrophobicContact CD1-CE2 3.46Å; L69-F449 VanDerWaalsContact CD1-CE2 3.46Å; L69-F449 HydrophobicContact CD1-CZ 4.25Å; L72-F449 HydrophobicContact CD2-CD2 4.01Å; L72-F449 HydrophobicContact CD2-CE2 4.04Å; L407-F449 HydrophobicContact CD1-CB 3.74Å; L407-F449 HydrophobicContact CD1-CD2 3.9Å; L407-F449 HydrophobicContact CD1-CG 4.21Å; L407-F449 HydrophobicContact CG-CB 4.28Å; L408-F449 PolarHBondContact O-N 3.02Å; L409-F449 HydrophobicContact CD2-CB 3.83Å; L409-F449 HydrophobicContact CD2-CD1 4.02Å; L409-F449 HydrophobicContact CD2-CG 3.99Å; P410-F449 WeakPolarHBondContact CD-O 3.35Å; P410-F449 WeakPolarHBondContact CG-O 3.49Å; L447-F449 PolarHBondContact O-N 3.35Å
450G66.2Low78.7Confident36 Ų3658.5 Ų58.537%0.37138%0.377SS..  trans-107.8164.5-178.600000113.5
451V57.3Low78.8Confident90 Ų9060.6 Ų60.655%0.54538%0.383SS..  trans-69.1136.2164.4-1790000108.2G453 S454V451-G453 PolarHBondContact O-N 3.27Å; V451-S454 PolarHBondContact O-N 2.79Å
452E54.1Low78.9Confident117 Ų11764.3 Ų64.355%0.54739%0.394SS..THydrogen-bonded Turntrans-44.5117.1177.7-76.6-175.5170.200110.4P25 S26P25-E452 VanDerWaalsContact CA-OE1 3.24Å; P25-E452 WeakPolarHBondContact CA-OE1 3.47Å; P25-E452 WeakPolarHBondContact CB-OE1 3.29Å; S26-E452 WeakPolarHBondContact CB-OE2 3.45Å; S26-E452 PolarHBondContact N-OE1 2.97Å; S26-E452 PolarHBondContact OG-OE2 2.84Å
453G51.2Low79Confident89 Ų8965.4 Ų65.492%0.91840%0.399SS*.THydrogen-bonded Turntrans97.3-7.5177.200000116.8V451V451-G453 PolarHBondContact O-N 3.27Å
454S56.8Low79Confident80 Ų8065.4 Ų65.456%0.55940%0.4SS*.SBendtrans-89.2137.8170.9-174.90000111.1V451V451-S454 PolarHBondContact O-N 2.79Å
455A60.7Low79Confident83 Ų8363.8 Ų63.869%0.68639%0.394SS*.PPolyproline II helixtrans-59.8139165.500000109.3D457A455-D457 PolarHBondContact O-N 2.93Å
456P66.6Low78.9Confident71 Ų7161 Ų6146%0.46138%0.384SS..PPolyproline II helixtrans-67.5133.4176.428.3-33.3000109.7L448 T458L448-P456 HydrophobicContact CB-CB 3.71Å; L448-P456 HydrophobicContact CD1-CB 3.71Å; L448-P456 HydrophobicContact CD1-CG 4.48Å; L448-P456 HydrophobicContact CG-CB 4.34Å; P456-T458 PolarHBondContact O-N 3.32Å
457D71Confident78.6Confident101 Ų10164.4 Ų64.454%0.5441%0.408SS..  trans-72.994.8175.6179.810.2000109.7A455 G459 C460A455-D457 PolarHBondContact O-N 2.93Å; D457-G459 PolarHBondContact O-N 3.48Å; D457-G459 WeakPolarHBondContact OD1-CA 3.31Å; D457-G459 PolarHBondContact OD1-N 3.32Å; D457-C460 PolarHBondContact O-N 3.26Å; D457-C460 PolarHBondContact O-SG 2.9Å
458T77.5Confident78.5Confident105 Ų10567.1 Ų67.164%0.64442%0.42SS*.THydrogen-bonded Turntrans-72-11.9178.354.70000112.8L448 P456L448-T458 HydrophobicContact CD1-CG2 4.05Å; P456-T458 PolarHBondContact O-N 3.32Å
459G83Confident78.5Confident58 Ų5865 Ų6560%0.59841%0.409SS*.THydrogen-bonded Turntrans-86.4-5.6178.600000114.2D457 Y461D457-G459 PolarHBondContact O-N 3.48Å; D457-G459 WeakPolarHBondContact OD1-CA 3.31Å; D457-G459 PolarHBondContact OD1-N 3.32Å; G459-Y461 VanDerWaalsContact C-N 3.25Å; G459-Y461 PolarHBondContact O-N 3.02Å
460C87.1Confident78.8Confident8 Ų871.1 Ų71.15%0.05443%0.432CS..SBendtrans-72.5-15.2-174.970.90000114.3N412 S414 L415 D457N412-C460 HydrophobicContact CB-CB 4.17Å; N412-C460 WeakPolarHBondContact O-CB 3.39Å; S414-C460 PolarHBondContact N-O 3.42Å; L415-C460 WeakPolarHBondContact CB-O 3.46Å; L415-C460 WeakPolarHBondContact CG-O 3.3Å; L415-C460 PolarHBondContact N-O 3.11Å; D457-C460 PolarHBondContact O-N 3.26Å; D457-C460 PolarHBondContact O-SG 2.9Å
461Y94.6Very high79.7Confident67 Ų6772 Ų7226%0.26343%0.432SS..EExtended strand (participates in β ladder)trans-142.3158.6-179.580.5-80.3000113.1L408 L415 L417 P446 L448 G459 I463L408-Y461 HydrophobicContact CD1-CD1 3.55Å; L408-Y461 HydrophobicContact CD1-CE1 4.2Å; L408-Y461 HydrophobicContact CD1-CG 3.77Å; L415-Y461 CarbonylContact O-C 3.55Å; L415-Y461 VanDerWaalsContact O-CA 3.25Å; L415-Y461 WeakPolarHBondContact O-CA 3.43Å; L417-Y461 HydrophobicContact CD1-CD2 3.92Å; L417-Y461 HydrophobicContact CD1-CE2 4.43Å; L417-Y461 HydrophobicContact CG-CD2 4.42Å; P446-Y461 HydrophobicContact CG-CD1 4.43Å; P446-Y461 HydrophobicContact CG-CD2 4.06Å; P446-Y461 HydrophobicContact CG-CE1 3.86Å; P446-Y461 HydrophobicContact CG-CE2 3.45Å; P446-Y461 VanDerWaalsContact CG-CE2 3.45Å; P446-Y461 WeakPolarHBondContact CG-OH 3.45Å; L448-Y461 HydrophobicContact CD1-CE1 4.43Å; L448-Y461 HydrophobicContact CD2-CD1 4.12Å; L448-Y461 HydrophobicContact CD2-CE1 3.96Å; G459-Y461 VanDerWaalsContact C-N 3.25Å; G459-Y461 PolarHBondContact O-N 3.02Å; Y461-I463 HydrophobicContact CE2-CD1 4.24Å
462R95.3Very high81.1Confident117 Ų11768.4 Ų68.444%0.44241%0.409SS..EExtended strand (participates in β ladder)trans-133.3154165.965.7178.5-176141.77.4110.4L415 T416 L417 E468L415-R462 PolarHBondContact O-N 3.27Å; T416-R462 WeakPolarHBondContact CA-O 3.29Å; T416-R462 PolarHBondContact OG1-NE 3.08Å; L417-R462 PolarHBondContact N-O 2.93Å; R462-E468 IonicContact CZ-OE1 3.16Å; R462-E468 IonicContact CZ-OE2 3.02Å; R462-E468 IonicContact NH1-OE1 3.39Å; R462-E468 PolarHBondContact NH1-OE1 3.39Å; R462-E468 IonicContact NH1-OE2 2.72Å; R462-E468 PolarHBondContact NH1-OE2 3.23Å; R462-E468 IonicContact NH2-OE1 2.75Å; R462-E468 IonicContact NH2-OE2 3.83Å; R462-E468 PolarHBondContact NH2-OE2 3.38Å
463I96.4Very high82.6Confident68 Ų6868.5 Ų68.535%0.34942%0.417SS..EExtended strand (participates in β ladder)trans-77.7137165.2-57.3-54.4000108L417 W443 N444 Y461 P465L417-I463 HydrophobicContact CB-CD1 4.11Å; W443-I463 HydrophobicContact CH2-CG2 3.89Å; W443-I463 HydrophobicContact CZ3-CD1 4.28Å; W443-I463 HydrophobicContact CZ3-CG2 3.97Å; N444-I463 HydrophobicContact CB-CD1 4.13Å; Y461-I463 HydrophobicContact CE2-CD1 4.24Å; I463-P465 WeakPolarHBondContact O-CD 3.45Å
464Q95.3Very high84.2Confident14 Ų1465.2 Ų65.27%0.06538%0.379CS..PPolyproline II helixtrans-60.9126.1178.5-173.3172.4-3.600110.1H399 T416 L417 E468 F469 F493H399-Q464 PolarHBondContact CD2-OE1 2.87Å; H399-Q464 PolarHBondContact NE2-OE1 2.95Å; T416-Q464 HydrophobicContact CG2-CB 3.66Å; T416-Q464 HydrophobicContact CG2-CG 4.07Å; L417-Q464 WeakPolarHBondContact O-CB 3.41Å; L417-Q464 PolarHBondContact O-N 3.27Å; Q464-E468 HydrophobicContact CG-CB 4.34Å; Q464-E468 PolarHBondContact NE2-O 2.93Å; Q464-F469 VanDerWaalsContact NE2-CA 3.35Å; Q464-F493 HydrophobicContact CB-CE1 4.48Å; Q464-F493 WeakPolarHBondContact O-CZ 3.46Å
465P94.8Very high85.3Confident39 Ų3964 Ų6425%0.25337%0.369SS..PPolyproline II helixtrans-63.5139.1171.3-23.435.5000110.9I463 S467 E468I463-P465 WeakPolarHBondContact O-CD 3.45Å; P465-S467 PolarHBondContact O-N 3.35Å; P465-S467 VanDerWaalsContact O-N 3.14Å; P465-E468 HydrophobicContact CB-CG 4.24Å; P465-E468 HydrophobicContact CG-CG 4.28Å; P465-E468 PolarHBondContact O-N 3.47Å
466P93.2Very high86.2Confident40 Ų4063.3 Ų63.326%0.2635%0.351SS..G310 helixtrans-55.3-31.8175.6-28.936.1000113.6E468 F469 D492 F493 A496P466-E468 PolarHBondContact O-N 3.49Å; P466-F469 WeakPolarHBondContact O-CB 3.25Å; P466-F469 PolarHBondContact O-N 2.97Å; P466-F469 VanDerWaalsContact O-N 3.16Å; P466-D492 HydrophobicContact CG-CB 3.93Å; P466-F493 HydrophobicContact CB-CD1 4.39Å; P466-F493 HydrophobicContact CB-CG 4.49Å; P466-F493 HydrophobicContact CG-CD2 4.35Å; P466-F493 HydrophobicContact CG-CE2 4.35Å; P466-F493 HydrophobicContact CG-CG 4.46Å; P466-F493 HydrophobicContact CG-CZ 4.43Å; P466-A496 HydrophobicContact CB-CB 3.72Å
467S88.6Confident86.6Confident80 Ų8069.4 Ų69.456%0.55937%0.373SS*.G310 helixtrans-65.8-23.4174.857.20000113.6P465 R500P465-S467 PolarHBondContact O-N 3.35Å; P465-S467 VanDerWaalsContact O-N 3.14Å; S467-R500 PolarHBondContact O-NH1 3.22Å; S467-R500 PolarHBondContact O-NH2 2.78Å
468E89.4Confident86.9Confident82 Ų8266 Ų6638%0.38335%0.354SS..G310 helixtrans-93.93177.3-64179.3-156.900111.8R462 Q464 P465 P466 Y470R462-E468 IonicContact CZ-OE1 3.16Å; R462-E468 IonicContact CZ-OE2 3.02Å; R462-E468 IonicContact NH1-OE1 3.39Å; R462-E468 PolarHBondContact NH1-OE1 3.39Å; R462-E468 IonicContact NH1-OE2 2.72Å; R462-E468 PolarHBondContact NH1-OE2 3.23Å; R462-E468 IonicContact NH2-OE1 2.75Å; R462-E468 IonicContact NH2-OE2 3.83Å; R462-E468 PolarHBondContact NH2-OE2 3.38Å; Q464-E468 HydrophobicContact CG-CB 4.34Å; Q464-E468 PolarHBondContact NE2-O 2.93Å; P465-E468 HydrophobicContact CB-CG 4.24Å; P465-E468 HydrophobicContact CG-CG 4.28Å; P465-E468 PolarHBondContact O-N 3.47Å; P466-E468 PolarHBondContact O-N 3.49Å; E468-Y470 WeakPolarHBondContact O-CD2 3.38Å
469F89.6Confident86.6Confident1 Ų168.3 Ų68.30%0.00436%0.363CS..  trans-89.5122.8-172.6180-103.1000113.3P419 H421 Q464 P466 P471 L489 F493 L497 R500P419-F469 HydrophobicContact CG-CE2 3.95Å; P419-F469 HydrophobicContact CG-CZ 4.36Å; H421-F469 HydrophobicContact CB-CE2 3.85Å; H421-F469 HydrophobicContact CB-CZ 3.42Å; H421-F469 VanDerWaalsContact CB-CZ 3.42Å; H421-F469 AromaticContact CG-CE2 3.81Å; H421-F469 AromaticContact CG-CZ 3.81Å; H421-F469 AromaticContact ND1-CE2 3.63Å; Q464-F469 VanDerWaalsContact NE2-CA 3.35Å; P466-F469 WeakPolarHBondContact O-CB 3.25Å; P466-F469 PolarHBondContact O-N 2.97Å; P466-F469 VanDerWaalsContact O-N 3.16Å; F469-P471 HydrophobicContact CE1-CG 4.16Å; F469-L489 HydrophobicContact CE1-CD1 3.88Å; F469-L489 HydrophobicContact CE1-CD2 4.44Å; F469-L489 HydrophobicContact CZ-CD1 4.08Å; F469-L489 HydrophobicContact CZ-CD2 3.87Å; F469-F493 HydrophobicContact CB-CD1 3.7Å; F469-F493 HydrophobicContact CB-CE1 4Å; F469-F493 HydrophobicContact CD1-CB 4.44Å; F469-F493 AromaticContact CD1-CD1 3.91Å; F469-F493 HydrophobicContact CD1-CD1 3.91Å; F469-F493 AromaticContact CD2-CD1 3.71Å; F469-F493 HydrophobicContact CD2-CD1 3.71Å; F469-F493 AromaticContact CD2-CE1 3.96Å; F469-F493 HydrophobicContact CD2-CE1 3.96Å; F469-F493 HydrophobicContact CE1-CB 4.49Å; F469-F493 HydrophobicContact CE1-CD1 4.39Å; F469-F493 HydrophobicContact CE2-CD1 4.23Å; F469-F493 AromaticContact CG-CD1 3.52Å; F469-F493 HydrophobicContact CG-CD1 3.52Å; F469-F493 HydrophobicContact CG-CE1 4.05Å; F469-L497 HydrophobicContact CD1-CD2 3.91Å; F469-L497 HydrophobicContact CD1-CG 4.21Å; F469-L497 HydrophobicContact CE1-CD1 3.98Å; F469-L497 HydrophobicContact CE1-CD2 4.08Å; F469-L497 HydrophobicContact CE1-CG 4.14Å; F469-R500 PolarHBondContact O-NH1 3.36Å
470Y86.3Confident85.9Confident147 Ų14767.9 Ų67.958%0.57636%0.358SS*.  trans-131.6121.6177.4-67.9-89.9000108.9E468 L472 R500E468-Y470 WeakPolarHBondContact O-CD2 3.38Å; Y470-L472 PolarHBondContact O-N 3.2Å; Y470-R500 VanDerWaalsContact CZ-CZ 3.48Å; Y470-R500 PolarHBondContact OH-NH2 2.86Å
471P86.1Confident84.8Confident55 Ų5573.5 Ų73.536%0.35739%0.388SS..PPolyproline II helixtrans-64130.1177-22.234.2000111H421 F469 L497H421-P471 VanDerWaalsContact CD2-CA 3.43Å; H421-P471 WeakPolarHBondContact CD2-CA 3.48Å; F469-P471 HydrophobicContact CE1-CG 4.16Å; P471-L497 HydrophobicContact CG-CD1 3.98Å; P471-L497 HydrophobicContact CG-CD2 3.75Å
472L86.5Confident83Confident15 Ų1578.4 Ų78.48%0.07942%0.418CS..PPolyproline II helixtrans-77129.5169.1-179.2155.1000109.7Y344 T361 V363 V382 H421 T422 Y470 I474Y344-L472 HydrophobicContact CE1-CD2 4.38Å; T361-L472 HydrophobicContact CG2-CD1 3.93Å; V363-L472 HydrophobicContact CG2-CD1 3.82Å; V363-L472 HydrophobicContact CG2-CD2 3.78Å; V382-L472 HydrophobicContact CG2-CD1 4.38Å; H421-L472 PolarHBondContact CD2-N 2.96Å; H421-L472 WeakPolarHBondContact NE2-CB 3.31Å; H421-L472 PolarHBondContact NE2-N 3.4Å; T422-L472 HydrophobicContact CG2-CB 3.77Å; T422-L472 HydrophobicContact CG2-CD2 3.78Å; T422-L472 HydrophobicContact CG2-CG 4.33Å; Y470-L472 PolarHBondContact O-N 3.2Å; L472-I474 HydrophobicContact CD2-CG1 4.23Å
473V84.4Confident81.3Confident118 Ų11875.2 Ų75.272%0.71541%0.413SS*.PPolyproline II helixtrans-97.4132.9171.9179.60000108.6P475V473-P475 WeakPolarHBondContact O-CD 3.46Å
474I85Confident80Confident20 Ų2080.2 Ų80.210%0.10344%0.435CS..PPolyproline II helixtrans-76118.9174.4-67177000107.7L346 V363 Q423 Y424 L472 F476L346-I474 HydrophobicContact CD1-CD1 4.18Å; L346-I474 HydrophobicContact CD1-CG2 3.77Å; L346-I474 HydrophobicContact CD2-CD1 3.95Å; V363-I474 HydrophobicContact CG1-CD1 4.2Å; V363-I474 HydrophobicContact CG1-CG1 4.45Å; Q423-I474 WeakPolarHBondContact O-CD1 3.39Å; Y424-I474 HydrophobicContact CD1-CD1 3.81Å; Y424-I474 HydrophobicContact CG-CD1 4.26Å; L472-I474 HydrophobicContact CD2-CG1 4.23Å; I474-F476 HydrophobicContact CG2-CB 4.44Å; I474-F476 HydrophobicContact CG2-CD2 3.75Å; I474-F476 PolarHBondContact O-N 3.12Å
475P80.6Confident79.1Confident56 Ų5682.3 Ų82.336%0.36445%0.446SS..  trans-8217.4-168.734-36.8000113.8V473 L548V473-P475 WeakPolarHBondContact O-CD 3.46Å; P475-L548 HydrophobicContact CB-CD1 3.78Å; P475-L548 HydrophobicContact CB-CD2 4.17Å; P475-L548 HydrophobicContact CG-CD1 3.86Å; P475-L548 HydrophobicContact CG-CD2 3.71Å; P475-L548 HydrophobicContact CG-CG 4.47Å
476F79.9Confident77.9Confident68 Ų6881.8 Ų81.830%0.29844%0.443SS..SBendtrans-117.8135.3-175.9-48.2-69.7000110.2T320 A322 Y344 I474 L548T320-F476 HydrophobicContact CG2-CZ 4.1Å; A322-F476 HydrophobicContact CB-CD1 4.16Å; A322-F476 HydrophobicContact CB-CD2 3.82Å; A322-F476 HydrophobicContact CB-CE1 3.67Å; A322-F476 HydrophobicContact CB-CE2 3.31Å; A322-F476 HydrophobicContact CB-CG 4.24Å; A322-F476 HydrophobicContact CB-CZ 3.23Å; Y344-F476 AromaticContact CD1-CE2 3.98Å; Y344-F476 HydrophobicContact CD1-CE2 3.98Å; Y344-F476 AromaticContact CD2-CE2 3.55Å; Y344-F476 HydrophobicContact CD2-CE2 3.55Å; Y344-F476 AromaticContact CD2-CZ 3.9Å; Y344-F476 HydrophobicContact CD2-CZ 3.9Å; Y344-F476 HydrophobicContact CE1-CE2 4.31Å; Y344-F476 AromaticContact CE2-CE2 3.9Å; Y344-F476 HydrophobicContact CE2-CE2 3.9Å; Y344-F476 HydrophobicContact CE2-CZ 4.07Å; Y344-F476 AromaticContact CG-CE2 3.6Å; Y344-F476 HydrophobicContact CG-CE2 3.6Å; Y344-F476 HydrophobicContact CG-CZ 4.41Å; I474-F476 HydrophobicContact CG2-CB 4.44Å; I474-F476 HydrophobicContact CG2-CD2 3.75Å; I474-F476 PolarHBondContact O-N 3.12Å; F476-L548 HydrophobicContact CE1-CD2 3.73Å; F476-L548 HydrophobicContact CZ-CD2 3.73Å
477Q75Confident77Confident198 Ų19880.8 Ų80.893%0.92544%0.436SS*.  trans-73.9129.1167.5-168.2170.94.400108.6
478M76.1Confident76.6Confident29 Ų2981.9 Ų81.914%0.14344%0.444CS..  trans-129.2149.1179.1-67.3-178.268.100109D324 L346 Y424 P425D324-M478 HydrophobicContact CB-CE 3.94Å; L346-M478 HydrophobicContact CB-CE 4.3Å; L346-M478 HydrophobicContact CD1-CE 4.33Å; L346-M478 HydrophobicContact CD1-SD 3.51Å; L346-M478 VanDerWaalsContact CD1-SD 3.51Å; Y424-M478 HydrophobicContact CD2-CE 4.09Å; Y424-M478 HydrophobicContact CD2-SD 4.4Å; Y424-M478 HydrophobicContact CG-SD 4.42Å; P425-M478 HydrophobicContact CG-CB 3.98Å
479D71.6Confident76.5Confident155 Ų15579 Ų7983%0.82943%0.431SS*.SBendtrans-78134.5174.5-61.8-37.8000110
480G69.1Low76.5Confident48 Ų4881.2 Ų81.250%0.49545%0.446SS..SBendtrans147.3-174.7175.100000112.1P425P425-G480 VanDerWaalsContact CB-CA 3.47Å
481D63.2Low76.6Confident127 Ų12780.6 Ų80.668%0.67945%0.448SS*.  trans-75.7140.1-177.9-68-28.9000111.7P425 C483P425-D481 WeakPolarHBondContact CA-O 3.02Å; P425-D481 WeakPolarHBondContact CB-O 3.41Å; D481-C483 VanDerWaalsContact C-N 3.29Å; D481-C483 PolarHBondContact O-N 2.72Å
482N57.5Low76.9Confident170 Ų17082.9 Ų82.991%0.90946%0.458SS*.  trans-73.585.5172.5-70.9-35000108.9
483C59.1Low77.1Confident49 Ų4982.8 Ų82.833%0.33146%0.456SS..PPolyproline II helixtrans-98.1149.5177.9-65.20000111.8Q423 D481Q423-C483 WeakPolarHBondContact CG-O 3.28Å; Q423-C483 PolarHBondContact NE2-O 3.33Å; D481-C483 VanDerWaalsContact C-N 3.29Å; D481-C483 PolarHBondContact O-N 2.72Å
484E68.4Low77.4Confident174 Ų17481.2 Ų81.281%0.81344%0.441SS*.PPolyproline II helixtrans-66.2173.4172.4-63.6-177.816800111.1P486E484-P486 WeakPolarHBondContact O-CD 3.25Å
485I76.7Confident77.7Confident58 Ų5885.4 Ų85.430%0.29746%0.459SS..PPolyproline II helixtrans-61.6123.5174.4-59.3170000107.7H421 Q423 C487 L489H421-I485 WeakPolarHBondContact O-CD1 3.24Å; Q423-I485 HydrophobicContact CB-CG1 4.46Å; I485-C487 WeakPolarHBondContact CG2-O 3.44Å; I485-C487 PolarHBondContact O-N 3.11Å; I485-C487 VanDerWaalsContact O-N 3.09Å; I485-L489 HydrophobicContact CD1-CD1 4.47Å
486P70.6Confident78.3Confident28 Ų2883.8 Ų83.818%0.18245%0.45CS..SBendtrans-64.8-24.4-16922.4-34000113.4L427 E428 M431 V438 E484L427-P486 HydrophobicContact CD2-CG 3.71Å; L427-P486 HydrophobicContact CG-CG 4.31Å; E428-P486 HydrophobicContact CG-CB 4.18Å; M431-P486 HydrophobicContact SD-CB 4.46Å; M431-P486 HydrophobicContact SD-CG 4.13Å; V438-P486 HydrophobicContact CG1-CB 4.19Å; V438-P486 WeakPolarHBondContact CG1-O 3.37Å; E484-P486 WeakPolarHBondContact O-CD 3.25Å
487C73.8Confident78.7Confident18 Ų1882.6 Ų82.612%0.12245%0.447CS..SBendtrans-106.5129174.6-173.70000109.2L401 V438 I485 L489L401-C487 HydrophobicContact CD1-CB 3.65Å; V438-C487 HydrophobicContact CB-CB 4.3Å; V438-C487 HydrophobicContact CG1-CB 4.36Å; I485-C487 WeakPolarHBondContact CG2-O 3.44Å; I485-C487 PolarHBondContact O-N 3.11Å; I485-C487 VanDerWaalsContact O-N 3.09Å; C487-L489 PolarHBondContact O-N 3.36Å
488S79.3Confident79.4Confident103 Ų10377.9 Ų77.972%0.7243%0.425SS*.PPolyproline II helixtrans-59128.7167.248.60000109.5
489L86.8Confident80.2Confident22 Ų2280 Ų8012%0.11544%0.443CS..PPolyproline II helixtrans-64.3149.2174.4-69.7172.3000109.5P419 F420 H421 F469 I485 C487 F493 L497P419-L489 HydrophobicContact CB-CD2 4.22Å; P419-L489 HydrophobicContact CG-CD2 4.19Å; F420-L489 WeakPolarHBondContact O-CD2 3.42Å; H421-L489 HydrophobicContact CB-CD2 4.06Å; F469-L489 HydrophobicContact CE1-CD1 3.88Å; F469-L489 HydrophobicContact CE1-CD2 4.44Å; F469-L489 HydrophobicContact CZ-CD1 4.08Å; F469-L489 HydrophobicContact CZ-CD2 3.87Å; I485-L489 HydrophobicContact CD1-CD1 4.47Å; C487-L489 PolarHBondContact O-N 3.36Å; L489-F493 HydrophobicContact CB-CB 4.45Å; L489-L497 HydrophobicContact CD1-CD1 3.57Å
490P90.3Very high81Confident48 Ų4876 Ų7631%0.31242%0.415SS..PPolyproline II helixtrans-58144.3172.7-15.625.9000110.5P419 W443 D492 F493 Q494P419-P490 HydrophobicContact CB-CG 4.22Å; P419-P490 HydrophobicContact CG-CG 4.42Å; W443-P490 HydrophobicContact CZ2-CG 4.08Å; P490-D492 PolarHBondContact O-N 3.39Å; P490-F493 HydrophobicContact CB-CD2 3.94Å; P490-F493 HydrophobicContact CG-CD2 3.93Å; P490-F493 HydrophobicContact CG-CE2 4.4Å; P490-F493 WeakPolarHBondContact O-CA 3.46Å; P490-F493 WeakPolarHBondContact O-CB 3.4Å; P490-F493 PolarHBondContact O-N 3.2Å; P490-Q494 PolarHBondContact O-N 3.21Å
491E89.6Confident82Confident133 Ų13379.3 Ų79.362%0.62142%0.418SS*.Hα-helixtrans-51.1-39.7-170.1-67.4-172.3-168.300114.1F493 Q494 K495E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 3.45Å; E491-Q494 PolarHBondContact O-N 2.96Å; E491-K495 WeakPolarHBondContact O-CB 3.14Å; E491-K495 VanDerWaalsContact O-CG 3.26Å; E491-K495 WeakPolarHBondContact O-CG 3.28Å; E491-K495 PolarHBondContact O-N 3.21Å; E491-K495 IonicContact OE2-NZ 2.96Å; E491-K495 PolarHBondContact OE2-NZ 3.11Å
492D91.7Very high83.4Confident104 Ų10479.2 Ų79.256%0.55641%0.412SS*.Hα-helixtrans-66.9-36.3-178.5-61.4-29000112.1P466 P490 A496P466-D492 HydrophobicContact CG-CB 3.93Å; P490-D492 PolarHBondContact O-N 3.39Å; D492-A496 WeakPolarHBondContact O-CB 3.48Å; D492-A496 PolarHBondContact O-N 3.28Å; D492-A496 VanDerWaalsContact O-N 3.16Å
493F91.4Very high85Confident12 Ų1275 Ų755%0.05339%0.392CS..Hα-helixtrans-71.1-40.5174.6-70.5-95.7000110.7P419 W443 Q464 P466 F469 L489 P490 E491 A496 L497P419-F493 HydrophobicContact CG-CD1 3.89Å; P419-F493 HydrophobicContact CG-CD2 4.18Å; P419-F493 HydrophobicContact CG-CE1 3.95Å; P419-F493 HydrophobicContact CG-CE2 4.23Å; P419-F493 HydrophobicContact CG-CG 4Å; P419-F493 HydrophobicContact CG-CZ 4.11Å; W443-F493 HydrophobicContact CH2-CE2 4.19Å; W443-F493 HydrophobicContact CH2-CZ 4.21Å; W443-F493 HydrophobicContact CZ2-CE2 4.44Å; Q464-F493 HydrophobicContact CB-CE1 4.48Å; Q464-F493 WeakPolarHBondContact O-CZ 3.46Å; P466-F493 HydrophobicContact CB-CD1 4.39Å; P466-F493 HydrophobicContact CB-CG 4.49Å; P466-F493 HydrophobicContact CG-CD2 4.35Å; P466-F493 HydrophobicContact CG-CE2 4.35Å; P466-F493 HydrophobicContact CG-CG 4.46Å; P466-F493 HydrophobicContact CG-CZ 4.43Å; F469-F493 HydrophobicContact CB-CD1 3.7Å; F469-F493 HydrophobicContact CB-CE1 4Å; F469-F493 HydrophobicContact CD1-CB 4.44Å; F469-F493 AromaticContact CD1-CD1 3.91Å; F469-F493 HydrophobicContact CD1-CD1 3.91Å; F469-F493 AromaticContact CD2-CD1 3.71Å; F469-F493 HydrophobicContact CD2-CD1 3.71Å; F469-F493 AromaticContact CD2-CE1 3.96Å; F469-F493 HydrophobicContact CD2-CE1 3.96Å; F469-F493 HydrophobicContact CE1-CB 4.49Å; F469-F493 HydrophobicContact CE1-CD1 4.39Å; F469-F493 HydrophobicContact CE2-CD1 4.23Å; F469-F493 AromaticContact CG-CD1 3.52Å; F469-F493 HydrophobicContact CG-CD1 3.52Å; F469-F493 HydrophobicContact CG-CE1 4.05Å; L489-F493 HydrophobicContact CB-CB 4.45Å; P490-F493 HydrophobicContact CB-CD2 3.94Å; P490-F493 HydrophobicContact CG-CD2 3.93Å; P490-F493 HydrophobicContact CG-CE2 4.4Å; P490-F493 WeakPolarHBondContact O-CA 3.46Å; P490-F493 WeakPolarHBondContact O-CB 3.4Å; P490-F493 PolarHBondContact O-N 3.2Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-F493 PolarHBondContact O-N 3.45Å; F493-A496 PolarHBondContact O-N 3.25Å; F493-L497 WeakPolarHBondContact O-CG 3.44Å; F493-L497 PolarHBondContact O-N 3.47Å
494Q90.4Very high86.5Confident86 Ų8677.1 Ų77.140%0.40240%0.399SS..Hα-helixtrans-62-49.6176.1-177.1174.5-5.100111.7P490 E491 A496 L497 E498P490-Q494 PolarHBondContact O-N 3.21Å; E491-Q494 PolarHBondContact O-N 2.96Å; Q494-A496 PolarHBondContact O-N 3.08Å; Q494-L497 WeakPolarHBondContact O-CB 3.47Å; Q494-L497 PolarHBondContact O-N 2.93Å; Q494-E498 HydrophobicContact CG-CG 4.5Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.44Å; Q494-E498 PolarHBondContact NE2-OE1 3.13Å; Q494-E498 WeakPolarHBondContact O-CG 3.49Å; Q494-E498 PolarHBondContact O-N 2.64Å
495K91.7Very high87.6Confident107 Ų10774.2 Ų74.247%0.46539%0.386SS..Hα-helixtrans-57.5-37.7175.8-71.8165.9-168.9156.60112.1E491 S499E491-K495 WeakPolarHBondContact O-CB 3.14Å; E491-K495 VanDerWaalsContact O-CG 3.26Å; E491-K495 WeakPolarHBondContact O-CG 3.28Å; E491-K495 PolarHBondContact O-N 3.21Å; E491-K495 IonicContact OE2-NZ 2.96Å; E491-K495 PolarHBondContact OE2-NZ 3.11Å; K495-S499 WeakPolarHBondContact O-CB 3.46Å; K495-S499 PolarHBondContact O-N 3.05Å
496A91.3Very high88.4Confident22 Ų2276.5 Ų76.518%0.18240%0.395CS..Hα-helixtrans-67.4-35.9176.700000112.7P466 D492 F493 Q494 R500P466-A496 HydrophobicContact CB-CB 3.72Å; D492-A496 WeakPolarHBondContact O-CB 3.48Å; D492-A496 PolarHBondContact O-N 3.28Å; D492-A496 VanDerWaalsContact O-N 3.16Å; F493-A496 PolarHBondContact O-N 3.25Å; Q494-A496 PolarHBondContact O-N 3.08Å; A496-R500 PolarHBondContact O-N 2.91Å
497L89.4Confident89.3Confident44 Ų4481.5 Ų81.523%0.2341%0.411CS..Hα-helixtrans-68.2-48.1172.7-68.4-175.4000111.7F469 P471 L489 F493 Q494 S499 R500 E501F469-L497 HydrophobicContact CD1-CD2 3.91Å; F469-L497 HydrophobicContact CD1-CG 4.21Å; F469-L497 HydrophobicContact CE1-CD1 3.98Å; F469-L497 HydrophobicContact CE1-CD2 4.08Å; F469-L497 HydrophobicContact CE1-CG 4.14Å; P471-L497 HydrophobicContact CG-CD1 3.98Å; P471-L497 HydrophobicContact CG-CD2 3.75Å; L489-L497 HydrophobicContact CD1-CD1 3.57Å; F493-L497 WeakPolarHBondContact O-CG 3.44Å; F493-L497 PolarHBondContact O-N 3.47Å; Q494-L497 WeakPolarHBondContact O-CB 3.47Å; Q494-L497 PolarHBondContact O-N 2.93Å; L497-S499 VanDerWaalsContact C-N 3.32Å; L497-S499 PolarHBondContact O-N 3.16Å; L497-R500 WeakPolarHBondContact O-CA 3.44Å; L497-R500 WeakPolarHBondContact O-CB 3.41Å; L497-R500 PolarHBondContact O-N 3.25Å; L497-E501 PolarHBondContact O-N 3.27Å
498E90.4Very high90Very high99 Ų9985 Ų8546%0.46343%0.425SS..Hα-helixtrans-59.3-43178.8-70.5171.4-17400111.4Q494 R500 E501 K502Q494-E498 HydrophobicContact CG-CG 4.5Å; Q494-E498 WeakPolarHBondContact CG-OE1 3.44Å; Q494-E498 PolarHBondContact NE2-OE1 3.13Å; Q494-E498 WeakPolarHBondContact O-CG 3.49Å; Q494-E498 PolarHBondContact O-N 2.64Å; E498-R500 VanDerWaalsContact C-N 3.27Å; E498-R500 PolarHBondContact O-N 2.98Å; E498-E501 PolarHBondContact O-N 3.25Å; E498-K502 WeakPolarHBondContact O-CB 3.09Å; E498-K502 PolarHBondContact O-N 3.38Å
499S91.4Very high90.5Very high74 Ų7486.4 Ų86.452%0.51742%0.418SS..Hα-helixtrans-61.6-35175.5-176.40000112.6K495 L497 T503K495-S499 WeakPolarHBondContact O-CB 3.46Å; K495-S499 PolarHBondContact O-N 3.05Å; L497-S499 VanDerWaalsContact C-N 3.32Å; L497-S499 PolarHBondContact O-N 3.16Å; S499-T503 PolarHBondContact O-N 3.16Å; S499-T503 VanDerWaalsContact O-N 3.15Å; S499-T503 PolarHBondContact O-OG1 3.11Å
500R89.1Confident90.7Very high69 Ų6989.9 Ų89.926%0.2644%0.44SS..Hα-helixtrans-73.2-45.5176.7-88.5178.7165.6137.55.4112S467 F469 Y470 A496 L497 E498 K502 T503 I504S467-R500 PolarHBondContact O-NH1 3.22Å; S467-R500 PolarHBondContact O-NH2 2.78Å; F469-R500 PolarHBondContact O-NH1 3.36Å; Y470-R500 VanDerWaalsContact CZ-CZ 3.48Å; Y470-R500 PolarHBondContact OH-NH2 2.86Å; A496-R500 PolarHBondContact O-N 2.91Å; L497-R500 WeakPolarHBondContact O-CA 3.44Å; L497-R500 WeakPolarHBondContact O-CB 3.41Å; L497-R500 PolarHBondContact O-N 3.25Å; E498-R500 VanDerWaalsContact C-N 3.27Å; E498-R500 PolarHBondContact O-N 2.98Å; R500-K502 VanDerWaalsContact C-N 3.28Å; R500-K502 PolarHBondContact O-N 3.2Å; R500-T503 WeakPolarHBondContact O-CB 3.22Å; R500-T503 PolarHBondContact O-N 3.05Å; R500-T503 VanDerWaalsContact O-N 3.08Å; R500-I504 WeakPolarHBondContact O-CG1 3.44Å; R500-I504 PolarHBondContact O-N 3.22Å
501E89.6Confident90.5Very high119 Ų11989.7 Ų89.756%0.55644%0.438SS*.Hα-helixtrans-57.3-46.3176.4-174.4166-154.100110.4L497 E498 T503 I504 E505L497-E501 PolarHBondContact O-N 3.27Å; E498-E501 PolarHBondContact O-N 3.25Å; E501-T503 VanDerWaalsContact C-N 3.32Å; E501-T503 PolarHBondContact O-N 3.14Å; E501-I504 CarbonylContact O-C 3.58Å; E501-I504 WeakPolarHBondContact O-CA 3.46Å; E501-I504 WeakPolarHBondContact O-CB 3.45Å; E501-I504 PolarHBondContact O-N 2.98Å; E501-E505 WeakPolarHBondContact O-CG 3.45Å; E501-E505 PolarHBondContact O-N 3.13Å
502K92.8Very high90.3Very high124 Ų12490.5 Ų90.554%0.53944%0.44SS..Hα-helixtrans-58.3-40.9173.6-167.8177.9-179.1179.90113.1E498 R500 I504 E505 E506E498-K502 WeakPolarHBondContact O-CB 3.09Å; E498-K502 PolarHBondContact O-N 3.38Å; R500-K502 VanDerWaalsContact C-N 3.28Å; R500-K502 PolarHBondContact O-N 3.2Å; K502-I504 VanDerWaalsContact C-N 3.31Å; K502-I504 PolarHBondContact O-N 3.36Å; K502-E505 PolarHBondContact O-N 2.67Å; K502-E506 WeakPolarHBondContact CE-OE1 3.23Å; K502-E506 WeakPolarHBondContact O-CB 3.34Å; K502-E506 VanDerWaalsContact O-CG 3.27Å; K502-E506 WeakPolarHBondContact O-CG 3.39Å; K502-E506 PolarHBondContact O-N 3.46Å
503T92Very high90.3Very high82 Ų8290.2 Ų90.250%0.50344%0.438SS..Hα-helixtrans-63.2-39.1175.3-55.30000111.4S499 R500 E501 W507S499-T503 PolarHBondContact O-N 3.16Å; S499-T503 VanDerWaalsContact O-N 3.15Å; S499-T503 PolarHBondContact O-OG1 3.11Å; R500-T503 WeakPolarHBondContact O-CB 3.22Å; R500-T503 PolarHBondContact O-N 3.05Å; R500-T503 VanDerWaalsContact O-N 3.08Å; E501-T503 VanDerWaalsContact C-N 3.32Å; E501-T503 PolarHBondContact O-N 3.14Å; T503-W507 WeakPolarHBondContact O-CB 3.3Å; T503-W507 PolarHBondContact O-N 2.83Å
504I89.5Confident90.1Very high93 Ų9392.2 Ų92.248%0.47746%0.457SS..Hα-helixtrans-66.3-44176.2-66.6165.9000110.3R500 E501 K502 W507 Q508R500-I504 WeakPolarHBondContact O-CG1 3.44Å; R500-I504 PolarHBondContact O-N 3.22Å; E501-I504 CarbonylContact O-C 3.58Å; E501-I504 WeakPolarHBondContact O-CA 3.46Å; E501-I504 WeakPolarHBondContact O-CB 3.45Å; E501-I504 PolarHBondContact O-N 2.98Å; K502-I504 VanDerWaalsContact C-N 3.31Å; K502-I504 PolarHBondContact O-N 3.36Å; I504-W507 PolarHBondContact O-N 2.94Å; I504-Q508 HydrophobicContact CG2-CG 4.43Å; I504-Q508 WeakPolarHBondContact O-CB 3.27Å; I504-Q508 VanDerWaalsContact O-CG 3.3Å; I504-Q508 WeakPolarHBondContact O-CG 3.48Å; I504-Q508 PolarHBondContact O-N 2.9Å
505E91.9Very high89.8Confident114 Ų11495.5 Ų95.553%0.53347%0.472SS..Hα-helixtrans-62.5-45.2176.2-70.5-177.4160.900112.3E501 K502 W507 Q508 K509E501-E505 WeakPolarHBondContact O-CG 3.45Å; E501-E505 PolarHBondContact O-N 3.13Å; K502-E505 PolarHBondContact O-N 2.67Å; E505-W507 VanDerWaalsContact C-N 3.31Å; E505-W507 PolarHBondContact O-N 3.09Å; E505-Q508 PolarHBondContact O-N 3.29Å; E505-K509 WeakPolarHBondContact O-CB 3.48Å; E505-K509 PolarHBondContact O-N 2.81Å
506E94Very high89.5Confident105 Ų10592.2 Ų92.249%0.49146%0.459SS..Hα-helixtrans-60.2-41.6175.4-75.2173.5-17400111.1K502 K509 T510K502-E506 WeakPolarHBondContact CE-OE1 3.23Å; K502-E506 WeakPolarHBondContact O-CB 3.34Å; K502-E506 VanDerWaalsContact O-CG 3.27Å; K502-E506 WeakPolarHBondContact O-CG 3.39Å; K502-E506 PolarHBondContact O-N 3.46Å; E506-K509 PolarHBondContact O-N 3.1Å; E506-T510 WeakPolarHBondContact O-CB 3.46Å; E506-T510 PolarHBondContact O-N 3.22Å; E506-T510 PolarHBondContact O-OG1 2.81Å
507W88.7Confident89.4Confident134 Ų13495 Ų9551%0.50847%0.471SS..Hα-helixtrans-64.8-46.7174.3179.783.9000112T503 I504 E505 K509 T510 V511 F524T503-W507 WeakPolarHBondContact O-CB 3.3Å; T503-W507 PolarHBondContact O-N 2.83Å; I504-W507 PolarHBondContact O-N 2.94Å; E505-W507 VanDerWaalsContact C-N 3.31Å; E505-W507 PolarHBondContact O-N 3.09Å; W507-K509 VanDerWaalsContact C-N 3.29Å; W507-K509 PolarHBondContact O-N 2.83Å; W507-T510 WeakPolarHBondContact O-CB 3.32Å; W507-T510 PolarHBondContact O-N 3.4Å; W507-T510 VanDerWaalsContact O-N 3.15Å; W507-V511 HydrophobicContact CD2-CG2 4.15Å; W507-V511 HydrophobicContact CE3-CG2 4.44Å; W507-V511 HydrophobicContact CH2-CG2 4.34Å; W507-V511 HydrophobicContact CZ2-CG2 4.04Å; W507-V511 WeakPolarHBondContact O-CG2 3.48Å; W507-V511 PolarHBondContact O-N 3.41Å; W507-F524 HydrophobicContact CH2-CE1 4.42Å; W507-F524 HydrophobicContact CH2-CZ 4.33Å; W507-F524 HydrophobicContact CZ2-CE1 4.2Å; W507-F524 AromaticContact CZ2-CZ 3.67Å; W507-F524 HydrophobicContact CZ2-CZ 3.67Å
508Q87.9Confident89.3Confident91 Ų91100.7 Ų100.743%0.42549%0.494SS..Hα-helixtrans-60.7-39.6176.7-74-179.412.200111.8I504 E505 V511 K512I504-Q508 HydrophobicContact CG2-CG 4.43Å; I504-Q508 WeakPolarHBondContact O-CB 3.27Å; I504-Q508 VanDerWaalsContact O-CG 3.3Å; I504-Q508 WeakPolarHBondContact O-CG 3.48Å; I504-Q508 PolarHBondContact O-N 2.9Å; E505-Q508 PolarHBondContact O-N 3.29Å; Q508-V511 PolarHBondContact O-N 3.04Å; Q508-K512 WeakPolarHBondContact O-CG 3.36Å; Q508-K512 PolarHBondContact O-N 3.17Å
509K91Very high89.2Confident133 Ų13399 Ų9958%0.57850%0.497SS*.Hα-helixtrans-63.8-45.8174.1-175178.6178.1-176.40111E505 E506 W507 V511 K512 D513E505-K509 WeakPolarHBondContact O-CB 3.48Å; E505-K509 PolarHBondContact O-N 2.81Å; E506-K509 PolarHBondContact O-N 3.1Å; W507-K509 VanDerWaalsContact C-N 3.29Å; W507-K509 PolarHBondContact O-N 2.83Å; K509-V511 VanDerWaalsContact C-N 3.28Å; K509-V511 PolarHBondContact O-N 2.96Å; K509-K512 WeakPolarHBondContact O-CB 3.12Å; K509-K512 PolarHBondContact O-N 2.79Å; K509-K512 VanDerWaalsContact O-N 3.09Å; K509-D513 WeakPolarHBondContact CG-OD2 3.45Å; K509-D513 WeakPolarHBondContact O-CB 3.22Å; K509-D513 VanDerWaalsContact O-CG 3.26Å; K509-D513 PolarHBondContact O-N 2.91Å
510T90.6Very high89Confident94 Ų9499.6 Ų99.658%0.57749%0.492SS*.Hα-helixtrans-57.7-41.1176-55.90000111.7E506 W507 D513 A514E506-T510 WeakPolarHBondContact O-CB 3.46Å; E506-T510 PolarHBondContact O-N 3.22Å; E506-T510 PolarHBondContact O-OG1 2.81Å; W507-T510 WeakPolarHBondContact O-CB 3.32Å; W507-T510 PolarHBondContact O-N 3.4Å; W507-T510 VanDerWaalsContact O-N 3.15Å; T510-D513 PolarHBondContact O-N 3.25Å; T510-A514 WeakPolarHBondContact O-CB 3.34Å; T510-A514 PolarHBondContact O-N 3.46Å
511V86.7Confident88.9Confident44 Ų44103.6 Ų103.627%0.26751%0.507SS..Hα-helixtrans-67.2-39.4176.3174.20000111.9W507 Q508 K509 F524W507-V511 HydrophobicContact CD2-CG2 4.15Å; W507-V511 HydrophobicContact CE3-CG2 4.44Å; W507-V511 HydrophobicContact CH2-CG2 4.34Å; W507-V511 HydrophobicContact CZ2-CG2 4.04Å; W507-V511 WeakPolarHBondContact O-CG2 3.48Å; W507-V511 PolarHBondContact O-N 3.41Å; Q508-V511 PolarHBondContact O-N 3.04Å; K509-V511 VanDerWaalsContact C-N 3.28Å; K509-V511 PolarHBondContact O-N 2.96Å; V511-F524 HydrophobicContact CG1-CE1 4.08Å; V511-F524 HydrophobicContact CG2-CE1 4.08Å; V511-F524 HydrophobicContact CG2-CZ 3.87Å
512K85.6Confident88.8Confident151 Ų151106 Ų10666%0.65751%0.51SS*.Hα-helixtrans-65.2-45.6174.8-73.8172.4-178173.50111.2Q508 K509 A514 H515Q508-K512 WeakPolarHBondContact O-CG 3.36Å; Q508-K512 PolarHBondContact O-N 3.17Å; K509-K512 WeakPolarHBondContact O-CB 3.12Å; K509-K512 PolarHBondContact O-N 2.79Å; K509-K512 VanDerWaalsContact O-N 3.09Å; K512-A514 PolarHBondContact O-N 2.97Å; K512-H515 PolarHBondContact O-N 2.9Å
513D91.8Very high88.6Confident98 Ų98106.8 Ų106.852%0.52452%0.516SS..Hα-helixtrans-73.1-14.8-177.7-67-11000112.7K509 T510 H515K509-D513 WeakPolarHBondContact CG-OD2 3.45Å; K509-D513 WeakPolarHBondContact O-CB 3.22Å; K509-D513 VanDerWaalsContact O-CG 3.26Å; K509-D513 PolarHBondContact O-N 2.91Å; T510-D513 PolarHBondContact O-N 3.25Å; D513-H515 PolarHBondContact O-N 2.89Å; D513-H515 PolarHBondContact O-ND1 3.41Å
514A86.5Confident88.5Confident54 Ų54106.1 Ų106.145%0.44651%0.507SS..THydrogen-bonded Turntrans-72-6.6173.600000114.1T510 K512 L516T510-A514 WeakPolarHBondContact O-CB 3.34Å; T510-A514 PolarHBondContact O-N 3.46Å; K512-A514 PolarHBondContact O-N 2.97Å; A514-L516 HydrophobicContact CB-CD2 4.16Å; A514-L516 HydrophobicContact CB-CG 3.98Å; A514-L516 PolarHBondContact O-N 3.01Å
515H84.6Confident88.4Confident155 Ų155107 Ų10772%0.71851%0.508SS*.THydrogen-bonded Turntrans46.836.5175.6-66.168.8000114.2K512 D513 N517K512-H515 PolarHBondContact O-N 2.9Å; D513-H515 PolarHBondContact O-N 2.89Å; D513-H515 PolarHBondContact O-ND1 3.41Å; H515-N517 PolarHBondContact O-N 3.35Å
516L85.3Confident88.3Confident37 Ų37104.1 Ų104.119%0.19450%0.504CS..  trans-59131.7-173.2-62.1172.7000111.3A514 Q520 R521 F524A514-L516 HydrophobicContact CB-CD2 4.16Å; A514-L516 HydrophobicContact CB-CG 3.98Å; A514-L516 PolarHBondContact O-N 3.01Å; L516-Q520 HydrophobicContact CB-CB 4.19Å; L516-Q520 HydrophobicContact CD2-CB 4.1Å; L516-R521 HydrophobicContact CB-CG 3.59Å; L516-R521 HydrophobicContact CD1-CG 4.44Å; L516-R521 PolarHBondContact O-NE 3.38Å; L516-F524 HydrophobicContact CD1-CB 4.37Å; L516-F524 HydrophobicContact CD1-CG 4.39Å
517N88.7Confident88.2Confident82 Ų82103.5 Ų103.544%0.43950%0.504SS..  trans-71168.8173.573.335.2000111.2H515 A519 Q520 R521H515-N517 PolarHBondContact O-N 3.35Å; N517-A519 VanDerWaalsContact C-N 3.25Å; N517-A519 PolarHBondContact O-N 2.94Å; N517-A519 PolarHBondContact OD1-N 3.45Å; N517-A519 VanDerWaalsContact OD1-N 3.09Å; N517-Q520 VanDerWaalsContact N-OE1 3.12Å; N517-Q520 PolarHBondContact ND2-OE1 3.42Å; N517-Q520 PolarHBondContact O-N 2.99Å; N517-Q520 WeakPolarHBondContact OD1-CB 3.5Å; N517-Q520 WeakPolarHBondContact OD1-CG 3.41Å; N517-Q520 PolarHBondContact OD1-N 3.3Å; N517-R521 WeakPolarHBondContact O-CG 3.5Å; N517-R521 PolarHBondContact O-N 3.49Å
518K87.1Confident88.2Confident162 Ų162100 Ų10070%0.70450%0.497SS*.Hα-helixtrans-58.9-33.2-174.5-166.6174.8-176.4175.90113.5R522K518-R522 WeakPolarHBondContact O-CG 3.42Å; K518-R522 PolarHBondContact O-N 2.95Å
519A88.3Confident88.3Confident63 Ų63100 Ų10052%0.52150%0.497SS..Hα-helixtrans-74.8-44.4178.400000111.7N517 R521 R522 Q523N517-A519 VanDerWaalsContact C-N 3.25Å; N517-A519 PolarHBondContact O-N 2.94Å; N517-A519 PolarHBondContact OD1-N 3.45Å; N517-A519 VanDerWaalsContact OD1-N 3.09Å; A519-R521 PolarHBondContact O-N 2.88Å; A519-R522 PolarHBondContact O-N 3.37Å; A519-Q523 PolarHBondContact O-N 3.35Å
520Q86.8Confident88.4Confident87 Ų8798.6 Ų98.641%0.40749%0.493SS..Hα-helixtrans-64.6-38.3176.6-70.9169.9-35.200111.9L516 N517 R522 Q523 F524L516-Q520 HydrophobicContact CB-CB 4.19Å; L516-Q520 HydrophobicContact CD2-CB 4.1Å; N517-Q520 VanDerWaalsContact N-OE1 3.12Å; N517-Q520 PolarHBondContact ND2-OE1 3.42Å; N517-Q520 PolarHBondContact O-N 2.99Å; N517-Q520 WeakPolarHBondContact OD1-CB 3.5Å; N517-Q520 WeakPolarHBondContact OD1-CG 3.41Å; N517-Q520 PolarHBondContact OD1-N 3.3Å; Q520-R522 VanDerWaalsContact C-N 3.33Å; Q520-R522 PolarHBondContact O-N 3.31Å; Q520-Q523 PolarHBondContact O-N 2.91Å; Q520-F524 VanDerWaalsContact O-CB 3.32Å; Q520-F524 WeakPolarHBondContact O-CB 3.47Å; Q520-F524 PolarHBondContact O-N 3.42Å
521R86.9Confident88.4Confident154 Ų15499.8 Ų99.858%0.58149%0.49SS*.Hα-helixtrans-60.3-42173.3-73.3-176.1-169-163.5-2.4112.1L516 N517 A519 F524 Q525L516-R521 HydrophobicContact CB-CG 3.59Å; L516-R521 HydrophobicContact CD1-CG 4.44Å; L516-R521 PolarHBondContact O-NE 3.38Å; N517-R521 WeakPolarHBondContact O-CG 3.5Å; N517-R521 PolarHBondContact O-N 3.49Å; A519-R521 PolarHBondContact O-N 2.88Å; R521-F524 PolarHBondContact O-N 2.84Å; R521-Q525 VanDerWaalsContact O-CB 3.3Å; R521-Q525 WeakPolarHBondContact O-CB 3.36Å; R521-Q525 PolarHBondContact O-N 3.38Å
522R87.3Confident88.4Confident168 Ų168102.5 Ų102.563%0.63450%0.498SS*.Hα-helixtrans-64.9-42.8176.1-75.1177.2176.4179.3-3.6112K518 A519 Q520 Q525 A526K518-R522 WeakPolarHBondContact O-CG 3.42Å; K518-R522 PolarHBondContact O-N 2.95Å; A519-R522 PolarHBondContact O-N 3.37Å; Q520-R522 VanDerWaalsContact C-N 3.33Å; Q520-R522 PolarHBondContact O-N 3.31Å; R522-Q525 PolarHBondContact O-N 2.79Å; R522-A526 WeakPolarHBondContact O-CB 3.32Å; R522-A526 PolarHBondContact O-N 3.49Å
523Q89.8Confident88.4Confident142 Ų142100.3 Ų100.366%0.66449%0.49SS*.Hα-helixtrans-64.5-43.5176.1-74.7178.6-25.100112A519 Q520 A526 L527A519-Q523 PolarHBondContact O-N 3.35Å; Q520-Q523 PolarHBondContact O-N 2.91Å; Q523-A526 PolarHBondContact O-N 3.2Å; Q523-L527 PolarHBondContact O-N 2.9Å
524F88.6Confident88.3Confident68 Ų6898.7 Ų98.730%0.29848%0.479SS..Hα-helixtrans-62.4-46.1176.4-179.6-107000111.6W507 V511 L516 Q520 R521 A526 L527 V528W507-F524 HydrophobicContact CH2-CE1 4.42Å; W507-F524 HydrophobicContact CH2-CZ 4.33Å; W507-F524 HydrophobicContact CZ2-CE1 4.2Å; W507-F524 AromaticContact CZ2-CZ 3.67Å; W507-F524 HydrophobicContact CZ2-CZ 3.67Å; V511-F524 HydrophobicContact CG1-CE1 4.08Å; V511-F524 HydrophobicContact CG2-CE1 4.08Å; V511-F524 HydrophobicContact CG2-CZ 3.87Å; L516-F524 HydrophobicContact CD1-CB 4.37Å; L516-F524 HydrophobicContact CD1-CG 4.39Å; Q520-F524 VanDerWaalsContact O-CB 3.32Å; Q520-F524 WeakPolarHBondContact O-CB 3.47Å; Q520-F524 PolarHBondContact O-N 3.42Å; R521-F524 PolarHBondContact O-N 2.84Å; F524-A526 PolarHBondContact O-N 3.24Å; F524-L527 PolarHBondContact O-N 2.9Å; F524-V528 HydrophobicContact CD1-CG2 4.22Å; F524-V528 HydrophobicContact CD2-CG2 4.49Å; F524-V528 HydrophobicContact CE1-CG2 3.86Å; F524-V528 HydrophobicContact CE2-CG2 4.15Å; F524-V528 HydrophobicContact CZ-CG2 3.84Å; F524-V528 WeakPolarHBondContact O-CG2 3.39Å; F524-V528 PolarHBondContact O-N 2.83Å
525Q87.7Confident88.3Confident110 Ų110101.2 Ų101.251%0.51448%0.478SS..Hα-helixtrans-58.9-46.2176-178.7174.9-5.400111.6R521 R522 L527 V528 E529R521-Q525 VanDerWaalsContact O-CB 3.3Å; R521-Q525 WeakPolarHBondContact O-CB 3.36Å; R521-Q525 PolarHBondContact O-N 3.38Å; R522-Q525 PolarHBondContact O-N 2.79Å; Q525-L527 VanDerWaalsContact C-N 3.29Å; Q525-L527 PolarHBondContact O-N 2.85Å; Q525-V528 PolarHBondContact O-N 3.18Å; Q525-E529 HydrophobicContact CG-CG 4.41Å; Q525-E529 VanDerWaalsContact CG-OE1 3.3Å; Q525-E529 WeakPolarHBondContact CG-OE1 3.17Å; Q525-E529 PolarHBondContact NE2-OE1 3.09Å; Q525-E529 WeakPolarHBondContact O-CB 3.21Å; Q525-E529 WeakPolarHBondContact O-CG 3.2Å; Q525-E529 PolarHBondContact O-N 2.91Å
526A90.3Very high88.2Confident54 Ų5494.4 Ų94.445%0.44645%0.446SS..Hα-helixtrans-60.2-38.1177.100000112.5R522 Q523 F524 Q530R522-A526 WeakPolarHBondContact O-CB 3.32Å; R522-A526 PolarHBondContact O-N 3.49Å; Q523-A526 PolarHBondContact O-N 3.2Å; F524-A526 PolarHBondContact O-N 3.24Å; A526-Q530 WeakPolarHBondContact O-CB 3.38Å; A526-Q530 PolarHBondContact O-N 2.95Å
527L92.6Very high87.9Confident92 Ų9297.8 Ų97.848%0.48246%0.464SS..Hα-helixtrans-68.5-42.7176.2-175.669.5000112.1Q523 F524 Q525 Q530 K531Q523-L527 PolarHBondContact O-N 2.9Å; F524-L527 PolarHBondContact O-N 2.9Å; Q525-L527 VanDerWaalsContact C-N 3.29Å; Q525-L527 PolarHBondContact O-N 2.85Å; L527-Q530 PolarHBondContact O-N 2.75Å; L527-K531 WeakPolarHBondContact O-CB 3.24Å; L527-K531 WeakPolarHBondContact O-CG 3.46Å; L527-K531 PolarHBondContact O-N 3.1Å
528V89.4Confident87.5Confident61 Ų61101.7 Ų101.737%0.3748%0.48SS..Hα-helixtrans-62.4-45.3176.1171.40000110.1F524 Q525 K531 F532F524-V528 HydrophobicContact CD1-CG2 4.22Å; F524-V528 HydrophobicContact CD2-CG2 4.49Å; F524-V528 HydrophobicContact CE1-CG2 3.86Å; F524-V528 HydrophobicContact CE2-CG2 4.15Å; F524-V528 HydrophobicContact CZ-CG2 3.84Å; F524-V528 WeakPolarHBondContact O-CG2 3.39Å; F524-V528 PolarHBondContact O-N 2.83Å; Q525-V528 PolarHBondContact O-N 3.18Å; V528-K531 PolarHBondContact O-N 3.27Å; V528-F532 VanDerWaalsContact O-CB 3.27Å; V528-F532 WeakPolarHBondContact O-CB 3.49Å; V528-F532 PolarHBondContact O-N 3.47Å
529E88.8Confident86.9Confident91 Ų9196.9 Ų96.943%0.42546%0.464SS..Hα-helixtrans-59.8-46.8175.2-74.4171.7-170.300110.9Q525 K531 F532 H533Q525-E529 HydrophobicContact CG-CG 4.41Å; Q525-E529 VanDerWaalsContact CG-OE1 3.3Å; Q525-E529 WeakPolarHBondContact CG-OE1 3.17Å; Q525-E529 PolarHBondContact NE2-OE1 3.09Å; Q525-E529 WeakPolarHBondContact O-CB 3.21Å; Q525-E529 WeakPolarHBondContact O-CG 3.2Å; Q525-E529 PolarHBondContact O-N 2.91Å; E529-K531 PolarHBondContact O-N 2.82Å; E529-F532 PolarHBondContact O-N 3.45Å; E529-H533 PolarHBondContact O-N 2.69Å; E529-H533 PolarHBondContact O-ND1 3Å
530Q92.5Very high86Confident104 Ų10496 Ų9649%0.48646%0.461SS..Hα-helixtrans-57.8-49.5175.9-178.4-171.4-18.300111.7A526 L527 F532 H533 E534A526-Q530 WeakPolarHBondContact O-CB 3.38Å; A526-Q530 PolarHBondContact O-N 2.95Å; L527-Q530 PolarHBondContact O-N 2.75Å; Q530-F532 VanDerWaalsContact C-N 3.29Å; Q530-F532 PolarHBondContact O-N 3.48Å; Q530-H533 PolarHBondContact O-N 3.47Å; Q530-H533 VanDerWaalsContact O-N 3.16Å; Q530-E534 PolarHBondContact NE2-OE1 3.15Å; Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 3.44Å
531K90.3Very high85.3Confident119 Ų11995.7 Ų95.752%0.51746%0.459SS..Hα-helixtrans-63.7-35.6179.6-74.6-73.5163.5-154.60112.3L527 V528 E529 E534 W535L527-K531 WeakPolarHBondContact O-CB 3.24Å; L527-K531 WeakPolarHBondContact O-CG 3.46Å; L527-K531 PolarHBondContact O-N 3.1Å; V528-K531 PolarHBondContact O-N 3.27Å; E529-K531 PolarHBondContact O-N 2.82Å; K531-E534 WeakPolarHBondContact CD-OE2 3.32Å; K531-E534 WeakPolarHBondContact CE-OE2 3.28Å; K531-E534 IonicContact NZ-OE2 3.92Å; K531-E534 PolarHBondContact NZ-OE2 3.07Å; K531-W535 WeakPolarHBondContact O-CB 3.34Å; K531-W535 PolarHBondContact O-N 3.2Å
532F87.8Confident84.7Confident100 Ų10093.8 Ų93.844%0.43945%0.452SS..Hα-helixtrans-65.5-41.9173.5-178.5-113.2000111.8V528 E529 Q530 W535 L536V528-F532 VanDerWaalsContact O-CB 3.27Å; V528-F532 WeakPolarHBondContact O-CB 3.49Å; V528-F532 PolarHBondContact O-N 3.47Å; E529-F532 PolarHBondContact O-N 3.45Å; Q530-F532 VanDerWaalsContact C-N 3.29Å; Q530-F532 PolarHBondContact O-N 3.48Å; F532-W535 HydrophobicContact CD2-CE3 4.04Å; F532-W535 HydrophobicContact CD2-CZ3 4.41Å; F532-W535 AromaticContact CE2-CE3 3.91Å; F532-W535 HydrophobicContact CE2-CE3 3.91Å; F532-W535 AromaticContact CE2-CZ3 3.84Å; F532-W535 HydrophobicContact CE2-CZ3 3.84Å; F532-W535 PolarHBondContact O-N 3.32Å; F532-L536 HydrophobicContact CD1-CD1 3.91Å; F532-L536 HydrophobicContact CD1-CG 4.39Å; F532-L536 HydrophobicContact CE1-CD1 3.47Å; F532-L536 VanDerWaalsContact CE1-CD1 3.47Å; F532-L536 HydrophobicContact CE1-CG 4.06Å; F532-L536 HydrophobicContact CE2-CD2 4.34Å; F532-L536 HydrophobicContact CE2-CG 4.26Å; F532-L536 HydrophobicContact CZ-CD1 3.83Å; F532-L536 HydrophobicContact CZ-CD2 4.04Å; F532-L536 HydrophobicContact CZ-CG 3.98Å; F532-L536 WeakPolarHBondContact O-CG 3.13Å; F532-L536 PolarHBondContact O-N 3.12Å
533H85.6Confident83.8Confident105 Ų10589.1 Ų89.149%0.48644%0.438SS..Hα-helixtrans-65.9-41.5175.4-75.681.7000112.6E529 Q530 W535 L536 L537E529-H533 PolarHBondContact O-N 2.69Å; E529-H533 PolarHBondContact O-ND1 3Å; Q530-H533 PolarHBondContact O-N 3.47Å; Q530-H533 VanDerWaalsContact O-N 3.16Å; H533-W535 VanDerWaalsContact C-N 3.33Å; H533-L536 PolarHBondContact O-N 3.15Å; H533-L537 WeakPolarHBondContact O-CG 3.44Å; H533-L537 PolarHBondContact O-N 2.88Å; H533-L537 VanDerWaalsContact O-N 3.1Å
534E88.7Confident82.9Confident64 Ų6483.9 Ų83.930%0.29941%0.413SS..Hα-helixtrans-57.4-48.3172.5-73.1171.4-168.500110.3Q530 K531 L536 L537 E538Q530-E534 PolarHBondContact NE2-OE1 3.15Å; Q530-E534 WeakPolarHBondContact O-CG 3.32Å; Q530-E534 PolarHBondContact O-N 3.44Å; K531-E534 WeakPolarHBondContact CD-OE2 3.32Å; K531-E534 WeakPolarHBondContact CE-OE2 3.28Å; K531-E534 IonicContact NZ-OE2 3.92Å; K531-E534 PolarHBondContact NZ-OE2 3.07Å; E534-L536 PolarHBondContact O-N 3.22Å; E534-L537 WeakPolarHBondContact O-CB 3.04Å; E534-L537 PolarHBondContact O-N 2.86Å; E534-E538 WeakPolarHBondContact O-CG 3.28Å; E534-E538 PolarHBondContact O-N 3.33Å
535W86.9Confident82.2Confident108 Ų10884.3 Ų84.341%0.40942%0.418SS..Hα-helixtrans-62.4-41.2177.3177.782.8000113.3K531 F532 H533 L537 E538 T539 Q541K531-W535 WeakPolarHBondContact O-CB 3.34Å; K531-W535 PolarHBondContact O-N 3.2Å; F532-W535 HydrophobicContact CD2-CE3 4.04Å; F532-W535 HydrophobicContact CD2-CZ3 4.41Å; F532-W535 AromaticContact CE2-CE3 3.91Å; F532-W535 HydrophobicContact CE2-CE3 3.91Å; F532-W535 AromaticContact CE2-CZ3 3.84Å; F532-W535 HydrophobicContact CE2-CZ3 3.84Å; F532-W535 PolarHBondContact O-N 3.32Å; H533-W535 VanDerWaalsContact C-N 3.33Å; W535-L537 VanDerWaalsContact C-N 3.27Å; W535-L537 PolarHBondContact O-N 2.9Å; W535-E538 PolarHBondContact O-N 2.92Å; W535-T539 HydrophobicContact CD2-CG2 4.1Å; W535-T539 HydrophobicContact CG-CG2 4.25Å; W535-T539 HydrophobicContact CZ2-CG2 4.11Å; W535-T539 WeakPolarHBondContact O-CB 3.33Å; W535-T539 VanDerWaalsContact O-CG2 3.31Å; W535-T539 WeakPolarHBondContact O-CG2 3.3Å; W535-T539 PolarHBondContact O-N 3.5Å; W535-T539 PolarHBondContact O-OG1 2.92Å; W535-Q541 VanDerWaalsContact CH2-CD 3.5Å
536L83Confident81.5Confident11 Ų1183.4 Ų83.46%0.05842%0.417CS..Hα-helixtrans-62.5-34176.4-77.8178000112.7F532 H533 E534 G540 Q541 R542 L545F532-L536 HydrophobicContact CD1-CD1 3.91Å; F532-L536 HydrophobicContact CD1-CG 4.39Å; F532-L536 HydrophobicContact CE1-CD1 3.47Å; F532-L536 VanDerWaalsContact CE1-CD1 3.47Å; F532-L536 HydrophobicContact CE1-CG 4.06Å; F532-L536 HydrophobicContact CE2-CD2 4.34Å; F532-L536 HydrophobicContact CE2-CG 4.26Å; F532-L536 HydrophobicContact CZ-CD1 3.83Å; F532-L536 HydrophobicContact CZ-CD2 4.04Å; F532-L536 HydrophobicContact CZ-CG 3.98Å; F532-L536 WeakPolarHBondContact O-CG 3.13Å; F532-L536 PolarHBondContact O-N 3.12Å; H533-L536 PolarHBondContact O-N 3.15Å; E534-L536 PolarHBondContact O-N 3.22Å; L536-G540 PolarHBondContact O-N 3.44Å; L536-Q541 HydrophobicContact CD2-CB 3.89Å; L536-Q541 PolarHBondContact O-N 3.02Å; L536-R542 HydrophobicContact CB-CB 4.24Å; L536-R542 PolarHBondContact O-N 3.5Å; L536-L545 HydrophobicContact CD1-CD1 3.65Å; L536-L545 HydrophobicContact CD2-CD1 3.54Å; L536-L545 HydrophobicContact CG-CD1 4.26Å
537L79.4Confident80.5Confident109 Ų10982.2 Ų82.257%0.57141%0.405SS*.Hα-helixtrans-74-45.2176.1-73.7169.3000111.4H533 E534 W535 G540H533-L537 WeakPolarHBondContact O-CG 3.44Å; H533-L537 PolarHBondContact O-N 2.88Å; H533-L537 VanDerWaalsContact O-N 3.1Å; E534-L537 WeakPolarHBondContact O-CB 3.04Å; E534-L537 PolarHBondContact O-N 2.86Å; W535-L537 VanDerWaalsContact C-N 3.27Å; W535-L537 PolarHBondContact O-N 2.9Å; L537-G540 PolarHBondContact O-N 3.28Å
538E79.5Confident79.4Confident164 Ų16480.5 Ų80.577%0.76640%0.396SS*.Hα-helixtrans-65.6-36.8179.4-72.7177.1176.300112.6E534 W535E534-E538 WeakPolarHBondContact O-CG 3.28Å; E534-E538 PolarHBondContact O-N 3.33Å; W535-E538 PolarHBondContact O-N 2.92Å
539T75Confident78.2Confident61 Ų6183.3 Ų83.337%0.37441%0.409SS..SBendtrans-87.7-11.2-178.758.80000114.2W535 Q541W535-T539 HydrophobicContact CD2-CG2 4.1Å; W535-T539 HydrophobicContact CG-CG2 4.25Å; W535-T539 HydrophobicContact CZ2-CG2 4.11Å; W535-T539 WeakPolarHBondContact O-CB 3.33Å; W535-T539 VanDerWaalsContact O-CG2 3.31Å; W535-T539 WeakPolarHBondContact O-CG2 3.3Å; W535-T539 PolarHBondContact O-N 3.5Å; W535-T539 PolarHBondContact O-OG1 2.92Å; T539-Q541 PolarHBondContact O-N 3.03Å; T539-Q541 WeakPolarHBondContact OG1-CG 3.31Å
540G69.3Low76.5Confident44 Ų4483.9 Ų83.945%0.45442%0.42SS..SBendtrans70.84.5-174.800000114.9L536 L537 R542 Q543L536-G540 PolarHBondContact O-N 3.44Å; L537-G540 PolarHBondContact O-N 3.28Å; G540-R542 PolarHBondContact O-N 3.43Å; G540-Q543 PolarHBondContact O-N 2.94Å
541Q72.4Confident74.4Confident80 Ų8083 Ų8337%0.37442%0.424SS..THydrogen-bonded Turntrans-70.9-14.7-179.5-68.3-174.516.700113.6W535 L536 T539 Q543 E544 L545W535-Q541 VanDerWaalsContact CH2-CD 3.5Å; L536-Q541 HydrophobicContact CD2-CB 3.89Å; L536-Q541 PolarHBondContact O-N 3.02Å; T539-Q541 PolarHBondContact O-N 3.03Å; T539-Q541 WeakPolarHBondContact OG1-CG 3.31Å; Q541-Q543 PolarHBondContact O-N 3.35Å; Q541-E544 WeakPolarHBondContact O-CB 3.34Å; Q541-E544 PolarHBondContact O-N 2.92Å; Q541-L545 PolarHBondContact O-N 3.48Å
542R74.4Confident71.7Confident115 Ų11583.4 Ų83.443%0.43444%0.436SS..Hα-helixtrans-52.2-39.5172.4-175.7172.9177.8163.73.5112.5L536 G540 E544 L545 D546L536-R542 HydrophobicContact CB-CB 4.24Å; L536-R542 PolarHBondContact O-N 3.5Å; G540-R542 PolarHBondContact O-N 3.43Å; R542-E544 VanDerWaalsContact C-N 3.3Å; R542-E544 PolarHBondContact O-N 3.01Å; R542-L545 PolarHBondContact O-N 3.2Å; R542-D546 WeakPolarHBondContact CG-OD2 3.31Å; R542-D546 IonicContact NE-OD2 3.3Å; R542-D546 WeakPolarHBondContact O-CB 3.27Å; R542-D546 VanDerWaalsContact O-CG 3.28Å; R542-D546 PolarHBondContact O-N 3.38Å
543Q69Low69.2Low70 Ų7086.3 Ų86.333%0.32746%0.455SS..Hα-helixtrans-64.6-35.7180-174.5177.35.200112.3G540 Q541 S547G540-Q543 PolarHBondContact O-N 2.94Å; Q541-Q543 PolarHBondContact O-N 3.35Å; Q543-S547 VanDerWaalsContact O-CB 3.23Å; Q543-S547 WeakPolarHBondContact O-CB 3.22Å; Q543-S547 PolarHBondContact O-N 3.42Å; Q543-S547 VanDerWaalsContact O-N 3.08Å; Q543-S547 PolarHBondContact O-OG 2.99Å
544E70.6Confident66.3Low31 Ų3186.3 Ų86.315%0.14546%0.462CS..Hα-helixtrans-63-51.3175.8-168.3163.7-168.300110F342 Y344 Q541 R542 S547 L548F342-E544 HydrophobicContact CD1-CB 4.37Å; F342-E544 VanDerWaalsContact CD1-CD 3.45Å; F342-E544 HydrophobicContact CD1-CG 3.74Å; F342-E544 WeakPolarHBondContact CD1-OE1 3.42Å; F342-E544 HydrophobicContact CD2-CB 4.39Å; F342-E544 HydrophobicContact CD2-CG 4.26Å; F342-E544 HydrophobicContact CE1-CB 3.75Å; F342-E544 HydrophobicContact CE1-CG 3.56Å; F342-E544 VanDerWaalsContact CE1-OE2 3.22Å; F342-E544 WeakPolarHBondContact CE1-OE2 3.31Å; F342-E544 HydrophobicContact CE2-CB 3.77Å; F342-E544 HydrophobicContact CE2-CG 4.09Å; F342-E544 HydrophobicContact CG-CG 4.13Å; F342-E544 HydrophobicContact CZ-CB 3.43Å; F342-E544 VanDerWaalsContact CZ-CB 3.43Å; F342-E544 HydrophobicContact CZ-CG 3.76Å; Y344-E544 PolarHBondContact OH-OE1 3Å; Q541-E544 WeakPolarHBondContact O-CB 3.34Å; Q541-E544 PolarHBondContact O-N 2.92Å; R542-E544 VanDerWaalsContact C-N 3.3Å; R542-E544 PolarHBondContact O-N 3.01Å; E544-S547 PolarHBondContact O-N 3.45Å; E544-S547 PolarHBondContact O-OG 3.36Å; E544-L548 HydrophobicContact CG-CD1 4.12Å; E544-L548 VanDerWaalsContact O-CG 3.28Å; E544-L548 WeakPolarHBondContact O-CG 3.27Å; E544-L548 PolarHBondContact O-N 2.95Å; E544-L548 VanDerWaalsContact O-N 3.14Å
545L73.3Confident63.3Low77 Ų7789.1 Ų89.140%0.40349%0.486SS..Hα-helixtrans-60.1-50.8178.1-69.4172.4000112.3L536 Q541 R542 S547 L548 L549L536-L545 HydrophobicContact CD1-CD1 3.65Å; L536-L545 HydrophobicContact CD2-CD1 3.54Å; L536-L545 HydrophobicContact CG-CD1 4.26Å; Q541-L545 PolarHBondContact O-N 3.48Å; R542-L545 PolarHBondContact O-N 3.2Å; L545-S547 PolarHBondContact O-N 2.68Å; L545-L548 PolarHBondContact O-N 3.48Å; L545-L549 WeakPolarHBondContact O-CG 3.17Å; L545-L549 PolarHBondContact O-N 3.32Å
546D73.4Confident60.4Low91 Ų9188.8 Ų88.849%0.48750%0.5SS..Hα-helixtrans-59.7-33-179.4-71.3-15.1000111.4R542R542-D546 WeakPolarHBondContact CG-OD2 3.31Å; R542-D546 IonicContact NE-OD2 3.3Å; R542-D546 WeakPolarHBondContact O-CB 3.27Å; R542-D546 VanDerWaalsContact O-CG 3.28Å; R542-D546 PolarHBondContact O-N 3.38Å
547S68.1Low57.8Low30 Ų3094.2 Ų94.221%0.2154%0.539CS..Hα-helixtrans-79.2-18.6177.9760000114.9T320 Q543 E544 L545T320-S547 WeakPolarHBondContact OG1-CB 3.42Å; T320-S547 PolarHBondContact OG1-OG 3.41Å; Q543-S547 VanDerWaalsContact O-CB 3.23Å; Q543-S547 WeakPolarHBondContact O-CB 3.22Å; Q543-S547 PolarHBondContact O-N 3.42Å; Q543-S547 VanDerWaalsContact O-N 3.08Å; Q543-S547 PolarHBondContact O-OG 2.99Å; E544-S547 PolarHBondContact O-N 3.45Å; E544-S547 PolarHBondContact O-OG 3.36Å; L545-S547 PolarHBondContact O-N 2.68Å
548L70.8Confident55.2Low56 Ų5693.6 Ų93.629%0.29354%0.544SS..Hα-helixtrans-88.9-19.6177.7-71.9168.5000112.1T320 P475 F476 E544 L545T320-L548 HydrophobicContact CG2-CD2 3.86Å; P475-L548 HydrophobicContact CB-CD1 3.78Å; P475-L548 HydrophobicContact CB-CD2 4.17Å; P475-L548 HydrophobicContact CG-CD1 3.86Å; P475-L548 HydrophobicContact CG-CD2 3.71Å; P475-L548 HydrophobicContact CG-CG 4.47Å; F476-L548 HydrophobicContact CE1-CD2 3.73Å; F476-L548 HydrophobicContact CZ-CD2 3.73Å; E544-L548 HydrophobicContact CG-CD1 4.12Å; E544-L548 VanDerWaalsContact O-CG 3.28Å; E544-L548 WeakPolarHBondContact O-CG 3.27Å; E544-L548 PolarHBondContact O-N 2.95Å; E544-L548 VanDerWaalsContact O-N 3.14Å; L545-L548 PolarHBondContact O-N 3.48Å
549L63.3Low52.5Low119 Ų11990.3 Ų90.362%0.62355%0.545SS*.SBendtrans-70.3129.2177-68.2172.8000110.5L545L545-L549 WeakPolarHBondContact O-CG 3.17Å; L545-L549 PolarHBondContact O-N 3.32Å
550P53.8Low50.1Low103 Ų10395.8 Ų95.867%0.66957%0.566SS**PPolyproline II helixtrans-61.1144.716924.7-30.6000109.1T552P550-T552 PolarHBondContact O-N 3.02Å
551P47.9Very low47.9Very low87 Ų87102 Ų10257%0.56558%0.583SS**PPolyproline II helixtrans-55.9119.8177.721.8-30.7000108.6I553P551-I553 PolarHBondContact O-N 2.8Å
552T34.5Very low45.5Very low126 Ų126110.6 Ų110.677%0.77361%0.612SS**  trans-53.6114.1173.8330000108.1P550 T554P550-T552 PolarHBondContact O-N 3.02Å; T552-T554 PolarHBondContact O-N 3.06Å
553I33.4Very low43.1Very low162 Ų162110 Ų11083%0.83163%0.625SS**  trans-60.798162.6-59.7169.2000104.8P551 P555P551-I553 PolarHBondContact O-N 2.8Å; I553-P555 WeakPolarHBondContact O-CD 3.3Å
554T26.1Very low40.8Very low105 Ų105111.9 Ų111.964%0.64465%0.647SS**  trans-57.3119.7165.839.50000106.7T552 S556T552-T554 PolarHBondContact O-N 3.06Å; T554-S556 PolarHBondContact O-N 3.43Å
555P26.1Very low38.6Very low122 Ų122118.6 Ų118.679%0.79268%0.683SS**  trans-64.7109.7170.121.3-20000105.8I553 S557I553-P555 WeakPolarHBondContact O-CD 3.3Å; P555-S557 PolarHBondContact O-N 3.22Å
556S26.1Very low36.2Very low101 Ų101123.3 Ų123.371%0.70670%0.703SS**  trans-55.3114.1173.451.10000108T554 S558T554-S556 PolarHBondContact O-N 3.43Å; S556-S558 VanDerWaalsContact C-N 3.34Å; S556-S558 PolarHBondContact O-N 3.23Å
557S27.3Very low33.9Very low125 Ų125125.7 Ų125.787%0.87472%0.716SS**  trans-63.197.4164.959.80000108.5P555P555-S557 PolarHBondContact O-N 3.22Å
558S24.1Very low31.8Very low96 Ų96131.2 Ų131.267%0.67175%0.749SS**  trans-152.390.4155.456.30000107.5S556S556-S558 VanDerWaalsContact C-N 3.34Å; S556-S558 PolarHBondContact O-N 3.23Å
559A23.3Very low29.6Very low96 Ų96136.6 Ų136.679%0.79378%0.777SS**  trans-61.2152.5152.300000108.8
560E24.8Very low27.7Very low176 Ų176139.6 Ų139.682%0.82279%0.785SS**  trans88.787.7172.1-52.3-170173.800117.1
561H23.7Very low26.3Very low173 Ų173141.9 Ų141.980%0.80179%0.787SS**  -169113.597.3-110.4-75.1000111
562W20.8Very low25.2Very low262 Ų262146.9 Ų146.999%0.99280%0.802SS**  trans-73124.2157.4-98.6-27.2000108.8
563S24Very low24.7Very low101 Ų101146.8 Ų146.871%0.70680%0.802SS**  trans-156.7102.6147.824.20000110.4
564S22.5Very low24.2Very low111 Ų111147.4 Ų147.478%0.77680%0.801SS**  trans16.2120.3142-47.20000118.7
565N23.7Very low24.1Very low172 Ų172151.7 Ų151.792%0.9281%0.814SS**  -154.8115.9122.1-98.3-21.3000111.2
566Q22.9Very low24.1Very low176 Ų176153.9 Ų153.982%0.82281%0.813SS**  trans-73.1163.6166.2-77.4176.4-26.100110.8
567N24.3Very low24.2Very low140 Ų140155 Ų15575%0.74982%0.818SS**  trans87.396.6164-61.1-17.6000116.7
568T24.9Very low24.2Very low147 Ų147155.4 Ų155.490%0.90282%0.816SS**  -176.5118.588.919.70000110.6
569L23.9Very low24.2Very low168 Ų168154 Ų15488%0.8882%0.816SS**  trans-128.5121.4167.7-125.8157.8000105.1
570K24.8Very low24.2Very low183 Ų183156 Ų15680%0.79682%0.819SS**  trans-165104.1151.6-98.3-172.9-175.5-169.40106.4
571E23.4Very low24.4Very low151 Ų151154 Ų15471%0.70682%0.818SS**  74.4114.997.4-80.4-178.715100112.2
572Q24.3Very low24.7Very low191 Ų191155.3 Ų155.389%0.89385%0.845SS**  -177144.4107.7-96.1174.40.400113.1
573T23.8Very low24.9Very low125 Ų125150 Ų15077%0.76784%0.837SS**  trans-71.1156.2-175.425.20000115.7
574H23.6Very low25Very low175 Ų175152.6 Ų152.681%0.8184%0.844SS**  trans24.2131.2145.1-85.2-67.8000121.2
575E24.8Very low25.1Very low194 Ų194154.9 Ų154.991%0.90785%0.848SS**  trans-160130130.5-111.2171.7-167.300112
576Q26.1Very low25.2Very low169 Ų169153.9 Ų153.979%0.7984%0.844SS**  trans-78.1165.3161.1-83.5-177.4-32.800109.7
577P28Very low25.4Very low125 Ų125152.5 Ų152.581%0.81285%0.845SS**  -140.2133124.931.6-15.4000114.5
578T26.4Very low25.4Very low133 Ų133153.3 Ų153.382%0.81685%0.851SS**  trans-63.6146.3144.246.30000108.9
579G23.9Very low25.5Very low65 Ų65153.8 Ų153.867%0.6785%0.848SS**  cis152.3151.611.800000105.9
580T23.3Very low25.6Very low140 Ų140152.7 Ų152.786%0.85985%0.845SS**  trans-159.4121.1157.4-37.40000112.3
581V28.7Very low25.6Very low133 Ų133150.2 Ų150.281%0.80685%0.849SS**  trans5.5117.8145.7-170.10000118.6
582C31.6Very low25.8Very low201 Ų201150.1 Ų150.1100%1.35886%0.862SS**  -168.80113.2-102.60000109.3

Retrieved 582 of 582 residues in 237.8 ms (Link to these results)

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